NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
459970 | 1x43 | 11209 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x43 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 1693 _Distance_constraint_stats_list.Viol_count 824 _Distance_constraint_stats_list.Viol_total 161.677 _Distance_constraint_stats_list.Viol_max 0.140 _Distance_constraint_stats_list.Viol_rms 0.0031 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0098 _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 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 LEU 0.050 0.026 20 0 "[ . 1 . 2]" 1 12 LYS 0.112 0.112 18 0 "[ . 1 . 2]" 1 13 GLU 0.001 0.001 15 0 "[ . 1 . 2]" 1 17 ASN 0.001 0.001 12 0 "[ . 1 . 2]" 1 18 ARG 0.055 0.029 11 0 "[ . 1 . 2]" 1 19 LYS 0.155 0.019 9 0 "[ . 1 . 2]" 1 20 ALA 0.090 0.012 9 0 "[ . 1 . 2]" 1 21 ARG 0.367 0.140 20 0 "[ . 1 . 2]" 1 22 VAL 0.355 0.035 10 0 "[ . 1 . 2]" 1 23 LEU 0.059 0.006 5 0 "[ . 1 . 2]" 1 24 TYR 0.015 0.005 5 0 "[ . 1 . 2]" 1 25 ASP 0.042 0.006 15 0 "[ . 1 . 2]" 1 26 TYR 0.182 0.040 13 0 "[ . 1 . 2]" 1 27 ASP 0.444 0.057 6 0 "[ . 1 . 2]" 1 28 ALA 0.031 0.007 15 0 "[ . 1 . 2]" 1 29 ALA 0.013 0.007 19 0 "[ . 1 . 2]" 1 30 ASN 0.065 0.049 18 0 "[ . 1 . 2]" 1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 THR 0.155 0.049 18 0 "[ . 1 . 2]" 1 33 GLU 1.609 0.077 18 0 "[ . 1 . 2]" 1 34 LEU 1.603 0.077 18 0 "[ . 1 . 2]" 1 35 SER 0.128 0.013 14 0 "[ . 1 . 2]" 1 36 LEU 0.060 0.013 14 0 "[ . 1 . 2]" 1 37 LEU 0.178 0.013 8 0 "[ . 1 . 2]" 1 38 ALA 0.152 0.018 9 0 "[ . 1 . 2]" 1 39 ASP 0.186 0.013 6 0 "[ . 1 . 2]" 1 40 GLU 0.280 0.018 9 0 "[ . 1 . 2]" 1 41 VAL 0.422 0.035 10 0 "[ . 1 . 2]" 1 42 ILE 0.070 0.009 3 0 "[ . 1 . 2]" 1 43 THR 0.083 0.007 17 0 "[ . 1 . 2]" 1 44 VAL 0.085 0.029 11 0 "[ . 1 . 2]" 1 45 PHE 0.439 0.026 11 0 "[ . 1 . 2]" 1 46 SER 0.028 0.013 10 0 "[ . 1 . 2]" 1 47 VAL 0.136 0.017 8 0 "[ . 1 . 2]" 1 48 VAL 0.092 0.017 8 0 "[ . 1 . 2]" 1 49 GLY 0.047 0.013 20 0 "[ . 1 . 2]" 1 50 MET 1.773 0.126 19 0 "[ . 1 . 2]" 1 51 ASP 1.650 0.126 19 0 "[ . 1 . 2]" 1 52 SER 0.032 0.016 11 0 "[ . 1 . 2]" 1 53 ASP 0.099 0.011 20 0 "[ . 1 . 2]" 1 54 TRP 0.836 0.023 15 0 "[ . 1 . 2]" 1 55 LEU 0.011 0.003 1 0 "[ . 1 . 2]" 1 56 MET 0.288 0.026 11 0 "[ . 1 . 2]" 1 57 GLY 0.164 0.026 15 0 "[ . 1 . 2]" 1 58 GLU 0.143 0.031 17 0 "[ . 1 . 2]" 1 59 ARG 0.134 0.032 17 0 "[ . 1 . 2]" 1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 GLN 0.069 0.032 17 0 "[ . 1 . 2]" 1 63 LYS 0.153 0.031 17 0 "[ . 1 . 2]" 1 64 GLY 0.102 0.012 5 0 "[ . 1 . 2]" 1 65 LYS 0.445 0.023 15 0 "[ . 1 . 2]" 1 66 VAL 0.025 0.009 14 0 "[ . 1 . 2]" 1 67 PRO 0.367 0.013 15 0 "[ . 1 . 2]" 1 68 ILE 0.323 0.019 14 0 "[ . 1 . 2]" 1 69 THR 0.118 0.020 9 0 "[ . 1 . 2]" 1 70 TYR 0.051 0.008 5 0 "[ . 1 . 2]" 1 71 LEU 0.194 0.017 14 0 "[ . 1 . 2]" 1 72 GLU 0.026 0.004 5 0 "[ . 1 . 2]" 1 73 LEU 0.016 0.003 13 0 "[ . 1 . 2]" 1 74 LEU 0.008 0.004 20 0 "[ . 1 . 2]" 1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 PRO 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 8 LEU H 1 8 LEU HG . . 5.020 3.290 1.929 4.666 . 0 0 "[ . 1 . 2]" 1 2 1 10 ASP HA 1 11 LEU H . . 3.300 2.329 2.139 2.773 . 0 0 "[ . 1 . 2]" 1 3 1 10 ASP HA 1 11 LEU QD . . 4.740 3.963 2.599 4.628 . 0 0 "[ . 1 . 2]" 1 4 1 10 ASP QB 1 11 LEU H . . 4.080 3.199 2.049 3.904 . 0 0 "[ . 1 . 2]" 1 5 1 10 ASP HB2 1 11 LEU H . . 4.690 3.745 2.069 4.570 . 0 0 "[ . 1 . 2]" 1 6 1 10 ASP HB3 1 11 LEU H . . 4.690 3.768 2.502 4.495 . 0 0 "[ . 1 . 2]" 1 7 1 11 LEU H 1 11 LEU HB2 . . 3.860 2.508 2.187 3.427 . 0 0 "[ . 1 . 2]" 1 8 1 11 LEU H 1 11 LEU QB . . 3.190 2.462 2.166 3.214 0.024 20 0 "[ . 1 . 2]" 1 9 1 11 LEU H 1 11 LEU HB3 . . 3.860 3.661 3.497 3.886 0.026 20 0 "[ . 1 . 2]" 1 10 1 11 LEU H 1 11 LEU MD1 . . 5.120 3.228 1.966 4.110 . 0 0 "[ . 1 . 2]" 1 11 1 11 LEU H 1 11 LEU QD . . 4.470 2.959 1.962 3.616 . 0 0 "[ . 1 . 2]" 1 12 1 11 LEU H 1 11 LEU MD2 . . 5.120 4.010 2.843 4.513 . 0 0 "[ . 1 . 2]" 1 13 1 11 LEU H 1 11 LEU HG . . 4.220 3.248 2.411 4.204 . 0 0 "[ . 1 . 2]" 1 14 1 11 LEU HA 1 11 LEU MD1 . . 4.630 3.560 2.899 3.951 . 0 0 "[ . 1 . 2]" 1 15 1 11 LEU HA 1 11 LEU QD . . 3.100 2.480 2.026 3.075 . 0 0 "[ . 1 . 2]" 1 16 1 11 LEU HA 1 11 LEU MD2 . . 4.630 2.780 2.032 3.684 . 0 0 "[ . 1 . 2]" 1 17 1 11 LEU HA 1 11 LEU HG . . 3.470 2.722 2.296 3.208 . 0 0 "[ . 1 . 2]" 1 18 1 11 LEU HA 1 12 LYS H . . 3.390 2.329 2.141 2.810 . 0 0 "[ . 1 . 2]" 1 19 1 11 LEU QB 1 12 LYS H . . 4.370 3.250 2.240 3.864 . 0 0 "[ . 1 . 2]" 1 20 1 11 LEU HB2 1 12 LYS H . . 5.040 4.186 3.409 4.567 . 0 0 "[ . 1 . 2]" 1 21 1 11 LEU HB3 1 12 LYS H . . 5.040 3.448 2.265 4.471 . 0 0 "[ . 1 . 2]" 1 22 1 12 LYS H 1 12 LYS QB . . 3.560 2.587 2.235 3.248 . 0 0 "[ . 1 . 2]" 1 23 1 12 LYS H 1 12 LYS QD . . 5.390 4.112 2.284 4.708 . 0 0 "[ . 1 . 2]" 1 24 1 12 LYS H 1 12 LYS QG . . 4.440 3.061 1.982 4.301 . 0 0 "[ . 1 . 2]" 1 25 1 12 LYS HA 1 12 LYS QD . . 4.310 3.459 2.071 4.280 . 0 0 "[ . 1 . 2]" 1 26 1 12 LYS HA 1 12 LYS HG2 . . 4.070 3.061 2.267 3.921 . 0 0 "[ . 1 . 2]" 1 27 1 12 LYS HA 1 12 LYS QG . . 3.530 2.691 2.212 3.383 . 0 0 "[ . 1 . 2]" 1 28 1 12 LYS HA 1 12 LYS HG3 . . 4.070 3.295 2.252 4.182 0.112 18 0 "[ . 1 . 2]" 1 29 1 13 GLU HA 1 13 GLU QG . . 3.520 2.764 2.235 3.521 0.001 15 0 "[ . 1 . 2]" 1 30 1 13 GLU QB 1 13 GLU QG . . 2.280 2.049 1.981 2.087 . 0 0 "[ . 1 . 2]" 1 31 1 13 GLU HB2 1 13 GLU QG . . 2.750 2.303 2.142 2.471 . 0 0 "[ . 1 . 2]" 1 32 1 13 GLU HB3 1 13 GLU QG . . 2.750 2.325 2.159 2.465 . 0 0 "[ . 1 . 2]" 1 33 1 17 ASN H 1 18 ARG H . . 5.470 4.422 4.253 4.613 . 0 0 "[ . 1 . 2]" 1 34 1 17 ASN HA 1 18 ARG H . . 2.810 2.450 2.271 2.615 . 0 0 "[ . 1 . 2]" 1 35 1 17 ASN HA 1 18 ARG QG . . 4.460 4.126 3.788 4.256 . 0 0 "[ . 1 . 2]" 1 36 1 17 ASN HA 1 43 THR MG . . 4.350 3.990 3.731 4.272 . 0 0 "[ . 1 . 2]" 1 37 1 17 ASN HA 1 45 PHE HB3 . . 3.560 3.051 2.620 3.532 . 0 0 "[ . 1 . 2]" 1 38 1 17 ASN QB 1 18 ARG QB . . 5.180 4.195 3.906 4.448 . 0 0 "[ . 1 . 2]" 1 39 1 17 ASN QB 1 43 THR HB . . 4.670 4.314 4.187 4.402 . 0 0 "[ . 1 . 2]" 1 40 1 17 ASN QB 1 43 THR MG . . 3.190 1.792 1.711 1.847 . 0 0 "[ . 1 . 2]" 1 41 1 17 ASN HB2 1 18 ARG H . . 3.890 2.872 2.227 3.569 . 0 0 "[ . 1 . 2]" 1 42 1 17 ASN HB2 1 43 THR HB . . 5.480 4.591 4.502 4.729 . 0 0 "[ . 1 . 2]" 1 43 1 17 ASN HB2 1 43 THR MG . . 3.700 1.850 1.780 1.926 . 0 0 "[ . 1 . 2]" 1 44 1 17 ASN HB2 1 45 PHE HB3 . . 4.840 3.820 3.409 4.343 . 0 0 "[ . 1 . 2]" 1 45 1 17 ASN HB2 1 45 PHE QD . . 5.250 4.062 3.805 4.424 . 0 0 "[ . 1 . 2]" 1 46 1 17 ASN HB2 1 45 PHE QE . . 5.500 5.439 5.205 5.501 0.001 12 0 "[ . 1 . 2]" 1 47 1 17 ASN HB3 1 18 ARG H . . 3.890 2.970 2.114 3.771 . 0 0 "[ . 1 . 2]" 1 48 1 17 ASN HB3 1 43 THR HB . . 5.480 5.265 4.835 5.467 . 0 0 "[ . 1 . 2]" 1 49 1 17 ASN HB3 1 43 THR MG . . 3.700 2.485 1.935 2.810 . 0 0 "[ . 1 . 2]" 1 50 1 17 ASN HB3 1 45 PHE HB3 . . 4.840 2.964 2.011 3.968 . 0 0 "[ . 1 . 2]" 1 51 1 17 ASN HB3 1 45 PHE QD . . 5.250 3.650 2.846 4.461 . 0 0 "[ . 1 . 2]" 1 52 1 17 ASN HB3 1 45 PHE QE . . 5.500 5.080 4.609 5.495 . 0 0 "[ . 1 . 2]" 1 53 1 17 ASN QD 1 43 THR MG . . 4.120 2.659 1.842 3.430 . 0 0 "[ . 1 . 2]" 1 54 1 18 ARG H 1 18 ARG HB2 . . 3.880 2.290 2.214 2.489 . 0 0 "[ . 1 . 2]" 1 55 1 18 ARG H 1 18 ARG QB . . 3.260 2.263 2.192 2.448 . 0 0 "[ . 1 . 2]" 1 56 1 18 ARG H 1 18 ARG HB3 . . 3.880 3.538 3.497 3.635 . 0 0 "[ . 1 . 2]" 1 57 1 18 ARG H 1 18 ARG QD . . 4.740 4.527 4.292 4.717 . 0 0 "[ . 1 . 2]" 1 58 1 18 ARG H 1 18 ARG QG . . 3.550 3.116 2.755 3.416 . 0 0 "[ . 1 . 2]" 1 59 1 18 ARG H 1 43 THR HA . . 5.220 4.932 4.301 5.220 0.000 9 0 "[ . 1 . 2]" 1 60 1 18 ARG H 1 43 THR MG . . 4.010 3.366 2.830 3.672 . 0 0 "[ . 1 . 2]" 1 61 1 18 ARG H 1 44 VAL MG2 . . 4.010 3.421 3.178 3.618 . 0 0 "[ . 1 . 2]" 1 62 1 18 ARG H 1 45 PHE HB3 . . 4.810 3.032 2.746 3.264 . 0 0 "[ . 1 . 2]" 1 63 1 18 ARG HA 1 18 ARG QD . . 3.740 3.200 1.996 3.743 0.003 11 0 "[ . 1 . 2]" 1 64 1 18 ARG HA 1 18 ARG QG . . 3.150 2.280 2.129 2.583 . 0 0 "[ . 1 . 2]" 1 65 1 18 ARG HA 1 19 LYS H . . 2.720 2.405 2.329 2.489 . 0 0 "[ . 1 . 2]" 1 66 1 18 ARG HA 1 19 LYS HG3 . . 5.200 4.928 4.866 5.066 . 0 0 "[ . 1 . 2]" 1 67 1 18 ARG HA 1 44 VAL MG2 . . 4.630 4.038 3.762 4.231 . 0 0 "[ . 1 . 2]" 1 68 1 18 ARG QB 1 18 ARG QD . . 3.250 2.138 2.050 2.291 . 0 0 "[ . 1 . 2]" 1 69 1 18 ARG QB 1 19 LYS H . . 3.260 2.449 2.262 2.627 . 0 0 "[ . 1 . 2]" 1 70 1 18 ARG QB 1 44 VAL H . . 4.490 3.635 3.548 3.747 . 0 0 "[ . 1 . 2]" 1 71 1 18 ARG QB 1 44 VAL MG2 . . 3.100 2.137 1.948 2.283 . 0 0 "[ . 1 . 2]" 1 72 1 18 ARG QB 1 73 LEU MD1 . . 4.570 3.790 3.691 3.983 . 0 0 "[ . 1 . 2]" 1 73 1 18 ARG QB 1 73 LEU MD2 . . 3.700 3.338 3.191 3.439 . 0 0 "[ . 1 . 2]" 1 74 1 18 ARG HB2 1 18 ARG QD . . 3.860 2.908 2.572 3.314 . 0 0 "[ . 1 . 2]" 1 75 1 18 ARG HB2 1 19 LYS H . . 3.990 3.844 3.562 3.978 . 0 0 "[ . 1 . 2]" 1 76 1 18 ARG HB2 1 44 VAL MG2 . . 3.730 2.371 2.148 2.579 . 0 0 "[ . 1 . 2]" 1 77 1 18 ARG HB2 1 73 LEU MD2 . . 4.550 4.349 3.855 4.551 0.001 4 0 "[ . 1 . 2]" 1 78 1 18 ARG HB3 1 18 ARG QD . . 3.860 2.215 2.095 2.337 . 0 0 "[ . 1 . 2]" 1 79 1 18 ARG HB3 1 19 LYS H . . 3.990 2.478 2.282 2.665 . 0 0 "[ . 1 . 2]" 1 80 1 18 ARG HB3 1 44 VAL MG2 . . 3.730 2.460 2.143 2.886 . 0 0 "[ . 1 . 2]" 1 81 1 18 ARG HB3 1 73 LEU MD2 . . 4.550 3.471 3.304 3.567 . 0 0 "[ . 1 . 2]" 1 82 1 18 ARG QD 1 19 LYS H . . 4.190 3.366 2.516 4.013 . 0 0 "[ . 1 . 2]" 1 83 1 18 ARG QD 1 44 VAL MG2 . . 4.100 3.609 3.198 4.091 . 0 0 "[ . 1 . 2]" 1 84 1 18 ARG QD 1 73 LEU HB3 . . 5.160 3.694 3.385 4.155 . 0 0 "[ . 1 . 2]" 1 85 1 18 ARG QD 1 73 LEU MD1 . . 4.130 2.825 2.420 3.624 . 0 0 "[ . 1 . 2]" 1 86 1 18 ARG QD 1 73 LEU MD2 . . 3.970 3.477 3.109 3.928 . 0 0 "[ . 1 . 2]" 1 87 1 18 ARG QG 1 19 LYS H . . 4.120 3.672 3.346 4.037 . 0 0 "[ . 1 . 2]" 1 88 1 18 ARG QG 1 44 VAL H . . 5.500 5.488 5.403 5.529 0.029 11 0 "[ . 1 . 2]" 1 89 1 18 ARG QG 1 73 LEU MD1 . . 4.590 4.246 3.656 4.563 . 0 0 "[ . 1 . 2]" 1 90 1 18 ARG QG 1 73 LEU MD2 . . 5.000 4.645 4.190 4.909 . 0 0 "[ . 1 . 2]" 1 91 1 19 LYS H 1 19 LYS HB2 . . 3.090 2.643 2.538 2.728 . 0 0 "[ . 1 . 2]" 1 92 1 19 LYS H 1 19 LYS HB3 . . 3.810 3.777 3.704 3.829 0.019 9 0 "[ . 1 . 2]" 1 93 1 19 LYS H 1 19 LYS HD2 . . 5.440 5.159 4.608 5.327 . 0 0 "[ . 1 . 2]" 1 94 1 19 LYS H 1 19 LYS QD . . 4.640 4.486 4.285 4.546 . 0 0 "[ . 1 . 2]" 1 95 1 19 LYS H 1 19 LYS HD3 . . 5.440 4.956 4.831 5.329 . 0 0 "[ . 1 . 2]" 1 96 1 19 LYS H 1 19 LYS HG2 . . 3.770 3.235 3.067 3.354 . 0 0 "[ . 1 . 2]" 1 97 1 19 LYS H 1 19 LYS HG3 . . 4.150 4.113 4.058 4.165 0.015 11 0 "[ . 1 . 2]" 1 98 1 19 LYS H 1 20 ALA H . . 4.630 4.382 4.330 4.446 . 0 0 "[ . 1 . 2]" 1 99 1 19 LYS H 1 20 ALA HA . . 5.060 4.981 4.936 5.072 0.012 9 0 "[ . 1 . 2]" 1 100 1 19 LYS H 1 44 VAL MG2 . . 4.490 3.549 3.173 3.810 . 0 0 "[ . 1 . 2]" 1 101 1 19 LYS H 1 73 LEU MD1 . . 5.500 5.397 5.179 5.502 0.002 1 0 "[ . 1 . 2]" 1 102 1 19 LYS H 1 74 LEU MD1 . . 5.500 5.424 5.200 5.500 . 0 0 "[ . 1 . 2]" 1 103 1 19 LYS HA 1 19 LYS HD2 . . 3.530 3.092 2.259 3.438 . 0 0 "[ . 1 . 2]" 1 104 1 19 LYS HA 1 19 LYS HD3 . . 3.530 2.799 2.551 3.544 0.014 12 0 "[ . 1 . 2]" 1 105 1 19 LYS HA 1 19 LYS HG2 . . 3.590 2.663 2.568 2.851 . 0 0 "[ . 1 . 2]" 1 106 1 19 LYS HA 1 19 LYS HG3 . . 3.890 3.746 3.697 3.796 . 0 0 "[ . 1 . 2]" 1 107 1 19 LYS HA 1 20 ALA H . . 2.670 2.211 2.155 2.410 . 0 0 "[ . 1 . 2]" 1 108 1 19 LYS HA 1 20 ALA MB . . 4.100 3.847 3.797 3.933 . 0 0 "[ . 1 . 2]" 1 109 1 19 LYS HA 1 41 VAL QG . . 4.000 3.534 3.332 3.844 . 0 0 "[ . 1 . 2]" 1 110 1 19 LYS HA 1 43 THR HA . . 3.040 2.935 2.655 3.013 . 0 0 "[ . 1 . 2]" 1 111 1 19 LYS HA 1 43 THR MG . . 4.470 4.417 4.083 4.473 0.003 20 0 "[ . 1 . 2]" 1 112 1 19 LYS HA 1 44 VAL H . . 3.780 2.956 2.475 3.205 . 0 0 "[ . 1 . 2]" 1 113 1 19 LYS HA 1 44 VAL MG1 . . 4.580 4.016 3.479 4.227 . 0 0 "[ . 1 . 2]" 1 114 1 19 LYS HA 1 44 VAL MG2 . . 4.150 3.029 2.683 3.234 . 0 0 "[ . 1 . 2]" 1 115 1 19 LYS HA 1 74 LEU MD1 . . 5.240 5.100 4.721 5.239 . 0 0 "[ . 1 . 2]" 1 116 1 19 LYS HB2 1 20 ALA H . . 4.330 4.089 3.590 4.308 . 0 0 "[ . 1 . 2]" 1 117 1 19 LYS HB2 1 41 VAL QG . . 4.270 3.832 3.484 4.125 . 0 0 "[ . 1 . 2]" 1 118 1 19 LYS HB2 1 74 LEU MD1 . . 4.100 3.877 3.488 4.055 . 0 0 "[ . 1 . 2]" 1 119 1 19 LYS HB3 1 19 LYS QD . . 3.040 2.117 2.059 2.411 . 0 0 "[ . 1 . 2]" 1 120 1 19 LYS HB3 1 19 LYS HG3 . . 2.780 2.627 2.572 2.637 . 0 0 "[ . 1 . 2]" 1 121 1 19 LYS HB3 1 20 ALA H . . 3.310 3.007 2.419 3.302 . 0 0 "[ . 1 . 2]" 1 122 1 19 LYS HB3 1 20 ALA HA . . 4.930 4.283 4.170 4.353 . 0 0 "[ . 1 . 2]" 1 123 1 19 LYS HB3 1 41 VAL QG . . 2.930 2.511 2.203 2.802 . 0 0 "[ . 1 . 2]" 1 124 1 19 LYS HB3 1 43 THR HA . . 5.500 4.756 4.235 4.982 . 0 0 "[ . 1 . 2]" 1 125 1 19 LYS QD 1 19 LYS HG2 . . 2.590 2.214 2.153 2.285 . 0 0 "[ . 1 . 2]" 1 126 1 19 LYS QD 1 20 ALA H . . 3.950 3.541 3.371 3.642 . 0 0 "[ . 1 . 2]" 1 127 1 19 LYS QD 1 41 VAL QG . . 3.340 2.360 2.079 3.219 . 0 0 "[ . 1 . 2]" 1 128 1 19 LYS QD 1 43 THR HA . . 3.570 2.390 2.033 2.622 . 0 0 "[ . 1 . 2]" 1 129 1 19 LYS HD2 1 43 THR HA . . 4.370 3.803 2.094 4.267 . 0 0 "[ . 1 . 2]" 1 130 1 19 LYS HD3 1 43 THR HA . . 4.370 2.478 2.218 2.752 . 0 0 "[ . 1 . 2]" 1 131 1 19 LYS QE 1 19 LYS HG2 . . 3.780 2.829 2.613 3.475 . 0 0 "[ . 1 . 2]" 1 132 1 19 LYS QE 1 19 LYS HG3 . . 3.470 2.400 2.148 2.625 . 0 0 "[ . 1 . 2]" 1 133 1 19 LYS QE 1 41 VAL QG . . 3.710 3.439 2.211 3.676 . 0 0 "[ . 1 . 2]" 1 134 1 19 LYS QE 1 43 THR HA . . 5.030 4.058 3.664 4.359 . 0 0 "[ . 1 . 2]" 1 135 1 19 LYS QE 1 43 THR MG . . 4.480 4.279 3.821 4.487 0.007 11 0 "[ . 1 . 2]" 1 136 1 19 LYS HG2 1 20 ALA H . . 4.710 4.676 4.619 4.720 0.010 11 0 "[ . 1 . 2]" 1 137 1 19 LYS HG2 1 41 VAL QG . . 5.040 4.470 4.254 4.826 . 0 0 "[ . 1 . 2]" 1 138 1 19 LYS HG2 1 43 THR HA . . 4.280 3.600 3.259 3.777 . 0 0 "[ . 1 . 2]" 1 139 1 19 LYS HG3 1 20 ALA H . . 5.500 5.269 4.886 5.382 . 0 0 "[ . 1 . 2]" 1 140 1 19 LYS HG3 1 43 THR HA . . 5.290 4.973 4.593 5.211 . 0 0 "[ . 1 . 2]" 1 141 1 20 ALA H 1 20 ALA MB . . 3.060 2.682 2.618 2.891 . 0 0 "[ . 1 . 2]" 1 142 1 20 ALA H 1 41 VAL QG . . 3.330 2.555 2.371 3.120 . 0 0 "[ . 1 . 2]" 1 143 1 20 ALA H 1 43 THR HA . . 4.310 4.279 4.090 4.317 0.007 17 0 "[ . 1 . 2]" 1 144 1 20 ALA H 1 44 VAL MG1 . . 4.340 3.563 3.370 3.850 . 0 0 "[ . 1 . 2]" 1 145 1 20 ALA H 1 44 VAL MG2 . . 4.030 3.204 2.853 3.451 . 0 0 "[ . 1 . 2]" 1 146 1 20 ALA H 1 73 LEU HA . . 5.150 4.854 4.551 5.081 . 0 0 "[ . 1 . 2]" 1 147 1 20 ALA H 1 74 LEU MD1 . . 4.520 4.239 3.618 4.428 . 0 0 "[ . 1 . 2]" 1 148 1 20 ALA HA 1 21 ARG H . . 2.660 2.286 2.218 2.346 . 0 0 "[ . 1 . 2]" 1 149 1 20 ALA HA 1 44 VAL MG2 . . 4.450 4.353 4.196 4.458 0.008 11 0 "[ . 1 . 2]" 1 150 1 20 ALA HA 1 73 LEU H . . 4.800 4.658 4.301 4.803 0.003 14 0 "[ . 1 . 2]" 1 151 1 20 ALA HA 1 73 LEU HA . . 3.020 2.626 2.257 2.771 . 0 0 "[ . 1 . 2]" 1 152 1 20 ALA HA 1 73 LEU HB3 . . 5.280 4.847 4.490 5.008 . 0 0 "[ . 1 . 2]" 1 153 1 20 ALA HA 1 73 LEU MD2 . . 3.840 3.486 3.158 3.808 . 0 0 "[ . 1 . 2]" 1 154 1 20 ALA HA 1 74 LEU H . . 3.180 2.388 2.035 2.611 . 0 0 "[ . 1 . 2]" 1 155 1 20 ALA HA 1 74 LEU HB2 . . 4.730 4.183 3.722 4.404 . 0 0 "[ . 1 . 2]" 1 156 1 20 ALA HA 1 74 LEU HB3 . . 5.500 5.208 4.788 5.400 . 0 0 "[ . 1 . 2]" 1 157 1 20 ALA HA 1 74 LEU MD1 . . 3.690 3.111 2.912 3.409 . 0 0 "[ . 1 . 2]" 1 158 1 20 ALA HA 1 74 LEU MD2 . . 4.150 3.897 3.601 4.122 . 0 0 "[ . 1 . 2]" 1 159 1 20 ALA HA 1 74 LEU HG . . 3.180 2.417 2.024 2.657 . 0 0 "[ . 1 . 2]" 1 160 1 20 ALA MB 1 21 ARG H . . 3.200 2.735 2.587 2.897 . 0 0 "[ . 1 . 2]" 1 161 1 20 ALA MB 1 44 VAL H . . 4.780 4.645 4.527 4.781 0.001 12 0 "[ . 1 . 2]" 1 162 1 20 ALA MB 1 44 VAL MG1 . . 2.910 2.675 2.479 2.918 0.008 11 0 "[ . 1 . 2]" 1 163 1 20 ALA MB 1 44 VAL MG2 . . 2.510 2.251 2.091 2.450 . 0 0 "[ . 1 . 2]" 1 164 1 20 ALA MB 1 71 LEU H . . 5.260 5.168 5.049 5.256 . 0 0 "[ . 1 . 2]" 1 165 1 20 ALA MB 1 71 LEU HA . . 4.030 3.616 3.437 3.782 . 0 0 "[ . 1 . 2]" 1 166 1 20 ALA MB 1 71 LEU MD2 . . 3.070 2.888 2.743 3.061 . 0 0 "[ . 1 . 2]" 1 167 1 20 ALA MB 1 72 GLU H . . 3.910 2.798 2.572 2.957 . 0 0 "[ . 1 . 2]" 1 168 1 20 ALA MB 1 73 LEU H . . 4.250 2.912 2.675 3.234 . 0 0 "[ . 1 . 2]" 1 169 1 20 ALA MB 1 73 LEU HA . . 3.230 1.977 1.907 2.100 . 0 0 "[ . 1 . 2]" 1 170 1 20 ALA MB 1 73 LEU MD2 . . 2.700 1.789 1.671 1.893 . 0 0 "[ . 1 . 2]" 1 171 1 20 ALA MB 1 73 LEU HG . . 4.490 3.631 3.434 3.811 . 0 0 "[ . 1 . 2]" 1 172 1 20 ALA MB 1 74 LEU H . . 3.990 3.271 2.981 3.462 . 0 0 "[ . 1 . 2]" 1 173 1 21 ARG H 1 21 ARG HB2 . . 3.480 3.019 2.802 3.182 . 0 0 "[ . 1 . 2]" 1 174 1 21 ARG H 1 21 ARG HB3 . . 3.170 2.380 2.296 2.589 . 0 0 "[ . 1 . 2]" 1 175 1 21 ARG H 1 21 ARG QD . . 5.270 4.587 3.848 4.878 . 0 0 "[ . 1 . 2]" 1 176 1 21 ARG H 1 21 ARG QG . . 4.270 3.929 3.796 4.083 . 0 0 "[ . 1 . 2]" 1 177 1 21 ARG H 1 23 LEU MD2 . . 5.200 4.620 4.432 4.888 . 0 0 "[ . 1 . 2]" 1 178 1 21 ARG H 1 41 VAL QG . . 5.030 3.382 3.014 4.180 . 0 0 "[ . 1 . 2]" 1 179 1 21 ARG H 1 71 LEU MD2 . . 5.500 4.951 4.585 5.151 . 0 0 "[ . 1 . 2]" 1 180 1 21 ARG H 1 72 GLU H . . 3.570 2.956 2.690 3.099 . 0 0 "[ . 1 . 2]" 1 181 1 21 ARG H 1 72 GLU HB2 . . 5.220 5.125 4.908 5.221 0.001 2 0 "[ . 1 . 2]" 1 182 1 21 ARG H 1 72 GLU HB3 . . 3.890 3.549 3.382 3.661 . 0 0 "[ . 1 . 2]" 1 183 1 21 ARG H 1 72 GLU HG2 . . 4.930 4.309 4.165 4.441 . 0 0 "[ . 1 . 2]" 1 184 1 21 ARG H 1 72 GLU HG3 . . 5.500 5.424 5.280 5.503 0.003 17 0 "[ . 1 . 2]" 1 185 1 21 ARG H 1 73 LEU HA . . 4.240 3.984 3.678 4.136 . 0 0 "[ . 1 . 2]" 1 186 1 21 ARG H 1 74 LEU H . . 4.080 3.673 3.255 3.899 . 0 0 "[ . 1 . 2]" 1 187 1 21 ARG H 1 74 LEU MD1 . . 3.730 3.310 3.096 3.406 . 0 0 "[ . 1 . 2]" 1 188 1 21 ARG H 1 74 LEU MD2 . . 3.790 3.066 2.790 3.339 . 0 0 "[ . 1 . 2]" 1 189 1 21 ARG H 1 74 LEU HG . . 3.760 2.653 2.361 2.881 . 0 0 "[ . 1 . 2]" 1 190 1 21 ARG HA 1 21 ARG HD2 . . 5.160 4.742 3.861 4.983 . 0 0 "[ . 1 . 2]" 1 191 1 21 ARG HA 1 21 ARG QD . . 4.420 4.278 3.649 4.404 . 0 0 "[ . 1 . 2]" 1 192 1 21 ARG HA 1 21 ARG HD3 . . 5.160 4.895 4.451 5.038 . 0 0 "[ . 1 . 2]" 1 193 1 21 ARG HA 1 21 ARG QG . . 3.180 2.620 2.414 2.735 . 0 0 "[ . 1 . 2]" 1 194 1 21 ARG HA 1 22 VAL H . . 2.580 2.186 2.155 2.280 . 0 0 "[ . 1 . 2]" 1 195 1 21 ARG HA 1 22 VAL HB . . 4.690 4.599 4.554 4.652 . 0 0 "[ . 1 . 2]" 1 196 1 21 ARG HA 1 22 VAL MG2 . . 3.970 3.678 3.570 3.875 . 0 0 "[ . 1 . 2]" 1 197 1 21 ARG HA 1 23 LEU MD2 . . 5.500 5.116 4.975 5.265 . 0 0 "[ . 1 . 2]" 1 198 1 21 ARG HA 1 40 GLU H . . 5.200 4.398 4.172 4.650 . 0 0 "[ . 1 . 2]" 1 199 1 21 ARG HA 1 41 VAL H . . 4.840 4.339 4.145 4.706 . 0 0 "[ . 1 . 2]" 1 200 1 21 ARG HA 1 41 VAL QG . . 3.440 2.189 1.844 3.373 . 0 0 "[ . 1 . 2]" 1 201 1 21 ARG HA 1 71 LEU MD2 . . 5.500 4.693 4.390 4.894 . 0 0 "[ . 1 . 2]" 1 202 1 21 ARG HB2 1 21 ARG HD2 . . 4.060 3.309 3.122 3.675 . 0 0 "[ . 1 . 2]" 1 203 1 21 ARG HB2 1 21 ARG QD . . 3.410 3.017 2.388 3.376 . 0 0 "[ . 1 . 2]" 1 204 1 21 ARG HB2 1 21 ARG HD3 . . 4.060 3.633 2.426 4.200 0.140 20 0 "[ . 1 . 2]" 1 205 1 21 ARG HB2 1 21 ARG HE . . 5.180 2.396 1.900 3.840 . 0 0 "[ . 1 . 2]" 1 206 1 21 ARG HB2 1 22 VAL H . . 4.110 4.015 3.935 4.098 . 0 0 "[ . 1 . 2]" 1 207 1 21 ARG HB2 1 23 LEU MD2 . . 5.190 5.033 4.918 5.193 0.003 20 0 "[ . 1 . 2]" 1 208 1 21 ARG HB2 1 39 ASP HA . . 5.500 5.506 5.500 5.513 0.013 6 0 "[ . 1 . 2]" 1 209 1 21 ARG HB2 1 41 VAL QG . . 3.340 2.223 1.812 3.353 0.013 12 0 "[ . 1 . 2]" 1 210 1 21 ARG HB2 1 72 GLU H . . 5.500 5.359 4.942 5.503 0.003 8 0 "[ . 1 . 2]" 1 211 1 21 ARG HB2 1 72 GLU HB3 . . 5.500 5.059 4.679 5.257 . 0 0 "[ . 1 . 2]" 1 212 1 21 ARG HB2 1 74 LEU MD1 . . 3.670 2.538 2.190 2.666 . 0 0 "[ . 1 . 2]" 1 213 1 21 ARG HB2 1 74 LEU MD2 . . 4.020 2.635 2.095 3.021 . 0 0 "[ . 1 . 2]" 1 214 1 21 ARG HB3 1 21 ARG HD2 . . 3.900 2.594 2.279 3.700 . 0 0 "[ . 1 . 2]" 1 215 1 21 ARG HB3 1 21 ARG HD3 . . 3.900 3.552 2.633 3.761 . 0 0 "[ . 1 . 2]" 1 216 1 21 ARG HB3 1 21 ARG HE . . 4.690 2.842 2.361 3.124 . 0 0 "[ . 1 . 2]" 1 217 1 21 ARG HB3 1 22 VAL H . . 4.330 4.195 3.826 4.338 0.008 6 0 "[ . 1 . 2]" 1 218 1 21 ARG HB3 1 23 LEU MD2 . . 4.740 3.752 3.512 3.987 . 0 0 "[ . 1 . 2]" 1 219 1 21 ARG HB3 1 41 VAL QG . . 4.900 3.466 3.087 4.600 . 0 0 "[ . 1 . 2]" 1 220 1 21 ARG HB3 1 72 GLU H . . 4.640 4.086 3.840 4.242 . 0 0 "[ . 1 . 2]" 1 221 1 21 ARG HB3 1 74 LEU MD2 . . 3.440 2.346 1.967 2.750 . 0 0 "[ . 1 . 2]" 1 222 1 21 ARG QD 1 22 VAL H . . 4.780 4.490 3.522 4.761 . 0 0 "[ . 1 . 2]" 1 223 1 21 ARG QD 1 23 LEU MD2 . . 4.250 3.314 2.002 3.922 . 0 0 "[ . 1 . 2]" 1 224 1 21 ARG QD 1 39 ASP H . . 5.340 4.557 3.617 4.957 . 0 0 "[ . 1 . 2]" 1 225 1 21 ARG QD 1 39 ASP HA . . 3.800 3.134 2.463 3.536 . 0 0 "[ . 1 . 2]" 1 226 1 21 ARG QD 1 41 VAL QG . . 4.320 3.974 3.310 4.325 0.005 5 0 "[ . 1 . 2]" 1 227 1 21 ARG QD 1 74 LEU MD2 . . 4.010 3.293 2.892 3.624 . 0 0 "[ . 1 . 2]" 1 228 1 21 ARG HD2 1 22 VAL H . . 5.500 5.106 3.885 5.446 . 0 0 "[ . 1 . 2]" 1 229 1 21 ARG HD2 1 23 LEU MD2 . . 4.880 3.479 2.062 4.228 . 0 0 "[ . 1 . 2]" 1 230 1 21 ARG HD2 1 74 LEU MD2 . . 4.660 3.526 3.193 4.548 . 0 0 "[ . 1 . 2]" 1 231 1 21 ARG HD3 1 22 VAL H . . 5.500 4.986 4.031 5.372 . 0 0 "[ . 1 . 2]" 1 232 1 21 ARG HD3 1 23 LEU MD2 . . 4.880 4.192 2.711 4.886 0.006 5 0 "[ . 1 . 2]" 1 233 1 21 ARG HD3 1 74 LEU MD2 . . 4.660 4.400 2.934 4.664 0.004 20 0 "[ . 1 . 2]" 1 234 1 21 ARG HE 1 23 LEU MD2 . . 5.500 5.059 2.477 5.502 0.002 1 0 "[ . 1 . 2]" 1 235 1 21 ARG HE 1 39 ASP HA . . 5.450 5.275 5.060 5.450 . 0 0 "[ . 1 . 2]" 1 236 1 21 ARG HE 1 74 LEU MD1 . . 5.500 3.486 2.997 4.963 . 0 0 "[ . 1 . 2]" 1 237 1 21 ARG HE 1 74 LEU MD2 . . 5.500 2.805 2.354 3.439 . 0 0 "[ . 1 . 2]" 1 238 1 21 ARG HE 1 74 LEU HG . . 5.500 5.101 4.778 5.476 . 0 0 "[ . 1 . 2]" 1 239 1 21 ARG QG 1 22 VAL H . . 3.410 2.610 2.217 2.811 . 0 0 "[ . 1 . 2]" 1 240 1 21 ARG QG 1 22 VAL HA . . 5.000 3.992 3.895 4.429 . 0 0 "[ . 1 . 2]" 1 241 1 21 ARG QG 1 22 VAL HB . . 5.180 4.025 3.832 4.152 . 0 0 "[ . 1 . 2]" 1 242 1 21 ARG QG 1 23 LEU HA . . 4.700 4.018 3.733 4.679 . 0 0 "[ . 1 . 2]" 1 243 1 21 ARG QG 1 23 LEU MD2 . . 3.910 3.081 2.639 3.906 . 0 0 "[ . 1 . 2]" 1 244 1 21 ARG QG 1 39 ASP H . . 4.480 3.822 3.533 4.055 . 0 0 "[ . 1 . 2]" 1 245 1 21 ARG QG 1 39 ASP HA . . 3.290 2.964 2.773 3.055 . 0 0 "[ . 1 . 2]" 1 246 1 21 ARG QG 1 39 ASP HB3 . . 5.030 4.715 4.558 4.856 . 0 0 "[ . 1 . 2]" 1 247 1 21 ARG QG 1 41 VAL QG . . 3.520 2.778 2.324 3.529 0.009 12 0 "[ . 1 . 2]" 1 248 1 21 ARG QG 1 72 GLU HB3 . . 4.660 4.289 3.664 4.663 0.003 20 0 "[ . 1 . 2]" 1 249 1 21 ARG QG 1 74 LEU MD1 . . 4.380 4.278 3.741 4.382 0.002 11 0 "[ . 1 . 2]" 1 250 1 22 VAL H 1 22 VAL HB . . 2.960 2.438 2.404 2.478 . 0 0 "[ . 1 . 2]" 1 251 1 22 VAL H 1 22 VAL MG2 . . 2.900 2.342 2.208 2.615 . 0 0 "[ . 1 . 2]" 1 252 1 22 VAL H 1 23 LEU MD2 . . 5.040 4.658 4.443 4.848 . 0 0 "[ . 1 . 2]" 1 253 1 22 VAL H 1 38 ALA HA . . 5.500 5.371 5.084 5.505 0.005 10 0 "[ . 1 . 2]" 1 254 1 22 VAL H 1 39 ASP HA . . 4.630 4.514 4.279 4.642 0.012 3 0 "[ . 1 . 2]" 1 255 1 22 VAL H 1 40 GLU H . . 3.550 2.761 2.450 3.040 . 0 0 "[ . 1 . 2]" 1 256 1 22 VAL H 1 40 GLU HA . . 4.890 4.493 4.372 4.593 . 0 0 "[ . 1 . 2]" 1 257 1 22 VAL H 1 40 GLU HB2 . . 5.500 5.312 5.097 5.440 . 0 0 "[ . 1 . 2]" 1 258 1 22 VAL H 1 40 GLU HB3 . . 5.270 4.955 4.613 5.105 . 0 0 "[ . 1 . 2]" 1 259 1 22 VAL H 1 40 GLU HG2 . . 5.180 3.614 3.188 3.802 . 0 0 "[ . 1 . 2]" 1 260 1 22 VAL H 1 40 GLU HG3 . . 4.810 3.754 3.413 3.897 . 0 0 "[ . 1 . 2]" 1 261 1 22 VAL H 1 41 VAL HA . . 3.600 3.194 3.061 3.553 . 0 0 "[ . 1 . 2]" 1 262 1 22 VAL H 1 41 VAL HB . . 5.500 5.344 4.459 5.535 0.035 10 0 "[ . 1 . 2]" 1 263 1 22 VAL H 1 41 VAL QG . . 5.250 3.546 3.127 4.785 . 0 0 "[ . 1 . 2]" 1 264 1 22 VAL H 1 71 LEU MD2 . . 5.250 4.195 3.917 4.351 . 0 0 "[ . 1 . 2]" 1 265 1 22 VAL HA 1 22 VAL MG1 . . 3.060 2.397 2.342 2.449 . 0 0 "[ . 1 . 2]" 1 266 1 22 VAL HA 1 22 VAL MG2 . . 2.910 2.355 2.200 2.410 . 0 0 "[ . 1 . 2]" 1 267 1 22 VAL HA 1 23 LEU H . . 2.640 2.187 2.151 2.249 . 0 0 "[ . 1 . 2]" 1 268 1 22 VAL HA 1 23 LEU HB2 . . 5.100 4.832 4.786 4.863 . 0 0 "[ . 1 . 2]" 1 269 1 22 VAL HA 1 23 LEU HG . . 4.040 3.564 3.476 3.694 . 0 0 "[ . 1 . 2]" 1 270 1 22 VAL HA 1 24 TYR H . . 4.010 3.815 3.714 3.903 . 0 0 "[ . 1 . 2]" 1 271 1 22 VAL HA 1 36 LEU QB . . 4.830 4.701 4.550 4.835 0.005 20 0 "[ . 1 . 2]" 1 272 1 22 VAL HA 1 36 LEU MD1 . . 4.480 4.296 4.040 4.472 . 0 0 "[ . 1 . 2]" 1 273 1 22 VAL HA 1 38 ALA HA . . 5.430 5.258 5.052 5.346 . 0 0 "[ . 1 . 2]" 1 274 1 22 VAL HA 1 71 LEU HA . . 3.250 2.546 2.342 2.705 . 0 0 "[ . 1 . 2]" 1 275 1 22 VAL HA 1 71 LEU MD2 . . 3.170 2.935 2.634 3.077 . 0 0 "[ . 1 . 2]" 1 276 1 22 VAL HA 1 71 LEU HG . . 4.710 4.540 4.385 4.703 . 0 0 "[ . 1 . 2]" 1 277 1 22 VAL HA 1 72 GLU H . . 4.050 3.859 3.654 4.050 . 0 0 "[ . 1 . 2]" 1 278 1 22 VAL HB 1 23 LEU H . . 4.850 4.113 3.955 4.219 . 0 0 "[ . 1 . 2]" 1 279 1 22 VAL HB 1 24 TYR H . . 5.080 4.473 4.258 4.744 . 0 0 "[ . 1 . 2]" 1 280 1 22 VAL HB 1 37 LEU H . . 5.060 4.052 3.700 4.312 . 0 0 "[ . 1 . 2]" 1 281 1 22 VAL HB 1 38 ALA H . . 5.340 5.089 4.781 5.157 . 0 0 "[ . 1 . 2]" 1 282 1 22 VAL HB 1 38 ALA HA . . 3.440 3.328 3.165 3.373 . 0 0 "[ . 1 . 2]" 1 283 1 22 VAL HB 1 38 ALA MB . . 4.840 4.820 4.686 4.852 0.012 11 0 "[ . 1 . 2]" 1 284 1 22 VAL HB 1 39 ASP H . . 3.650 3.140 2.942 3.252 . 0 0 "[ . 1 . 2]" 1 285 1 22 VAL HB 1 39 ASP HA . . 4.610 4.480 4.209 4.614 0.004 5 0 "[ . 1 . 2]" 1 286 1 22 VAL HB 1 40 GLU H . . 3.230 2.222 1.972 2.428 . 0 0 "[ . 1 . 2]" 1 287 1 22 VAL HB 1 40 GLU HG3 . . 3.760 3.511 3.360 3.655 . 0 0 "[ . 1 . 2]" 1 288 1 22 VAL HB 1 71 LEU MD2 . . 4.960 4.473 4.287 4.683 . 0 0 "[ . 1 . 2]" 1 289 1 22 VAL MG1 1 23 LEU H . . 3.260 2.308 2.032 2.574 . 0 0 "[ . 1 . 2]" 1 290 1 22 VAL MG1 1 23 LEU HA . . 4.310 3.791 3.664 3.963 . 0 0 "[ . 1 . 2]" 1 291 1 22 VAL MG1 1 24 TYR H . . 2.900 2.011 1.861 2.137 . 0 0 "[ . 1 . 2]" 1 292 1 22 VAL MG1 1 24 TYR HA . . 4.230 3.441 3.359 3.532 . 0 0 "[ . 1 . 2]" 1 293 1 22 VAL MG1 1 24 TYR HB2 . . 4.280 4.117 3.964 4.237 . 0 0 "[ . 1 . 2]" 1 294 1 22 VAL MG1 1 24 TYR QD . . 5.060 4.183 3.985 4.344 . 0 0 "[ . 1 . 2]" 1 295 1 22 VAL MG1 1 25 ASP HA . . 4.010 3.003 2.897 3.143 . 0 0 "[ . 1 . 2]" 1 296 1 22 VAL MG1 1 26 TYR H . . 4.250 3.609 3.358 4.207 . 0 0 "[ . 1 . 2]" 1 297 1 22 VAL MG1 1 26 TYR HB2 . . 4.780 4.394 4.090 4.604 . 0 0 "[ . 1 . 2]" 1 298 1 22 VAL MG1 1 26 TYR HB3 . . 4.910 4.411 4.226 4.645 . 0 0 "[ . 1 . 2]" 1 299 1 22 VAL MG1 1 36 LEU H . . 5.250 5.052 4.928 5.147 . 0 0 "[ . 1 . 2]" 1 300 1 22 VAL MG1 1 36 LEU QB . . 2.850 2.330 2.148 2.503 . 0 0 "[ . 1 . 2]" 1 301 1 22 VAL MG1 1 37 LEU HA . . 4.470 3.876 3.671 4.069 . 0 0 "[ . 1 . 2]" 1 302 1 22 VAL MG1 1 38 ALA H . . 4.130 3.902 3.582 4.133 0.003 3 0 "[ . 1 . 2]" 1 303 1 22 VAL MG1 1 38 ALA HA . . 2.890 2.192 1.979 2.437 . 0 0 "[ . 1 . 2]" 1 304 1 22 VAL MG1 1 39 ASP H . . 3.280 3.138 2.903 3.257 . 0 0 "[ . 1 . 2]" 1 305 1 22 VAL MG1 1 39 ASP HA . . 5.040 4.958 4.709 5.051 0.011 11 0 "[ . 1 . 2]" 1 306 1 22 VAL MG1 1 40 GLU H . . 4.110 3.660 3.439 3.869 . 0 0 "[ . 1 . 2]" 1 307 1 22 VAL MG1 1 70 TYR HA . . 4.620 4.406 4.095 4.602 . 0 0 "[ . 1 . 2]" 1 308 1 22 VAL MG1 1 70 TYR HB2 . . 5.080 4.212 3.883 4.462 . 0 0 "[ . 1 . 2]" 1 309 1 22 VAL MG1 1 70 TYR HB3 . . 3.740 2.891 2.539 3.154 . 0 0 "[ . 1 . 2]" 1 310 1 22 VAL MG1 1 70 TYR QD . . 4.650 3.594 3.349 3.879 . 0 0 "[ . 1 . 2]" 1 311 1 22 VAL MG1 1 71 LEU HA . . 4.510 4.160 3.943 4.336 . 0 0 "[ . 1 . 2]" 1 312 1 22 VAL MG1 1 71 LEU MD2 . . 3.480 3.362 3.167 3.483 0.003 9 0 "[ . 1 . 2]" 1 313 1 22 VAL MG2 1 36 LEU QB . . 3.120 2.086 1.966 2.227 . 0 0 "[ . 1 . 2]" 1 314 1 22 VAL MG2 1 37 LEU H . . 3.840 2.863 2.557 3.115 . 0 0 "[ . 1 . 2]" 1 315 1 22 VAL MG2 1 38 ALA HA . . 4.720 4.530 4.436 4.583 . 0 0 "[ . 1 . 2]" 1 316 1 22 VAL MG2 1 40 GLU H . . 3.930 3.530 3.370 3.682 . 0 0 "[ . 1 . 2]" 1 317 1 22 VAL MG2 1 40 GLU HB2 . . 4.600 4.417 4.238 4.605 0.005 13 0 "[ . 1 . 2]" 1 318 1 22 VAL MG2 1 40 GLU HB3 . . 4.280 4.085 3.915 4.254 . 0 0 "[ . 1 . 2]" 1 319 1 22 VAL MG2 1 40 GLU HG2 . . 3.580 2.006 1.923 2.151 . 0 0 "[ . 1 . 2]" 1 320 1 22 VAL MG2 1 40 GLU HG3 . . 3.550 2.497 2.304 2.747 . 0 0 "[ . 1 . 2]" 1 321 1 22 VAL MG2 1 42 ILE H . . 4.100 3.783 3.553 4.088 . 0 0 "[ . 1 . 2]" 1 322 1 22 VAL MG2 1 42 ILE MD . . 3.710 3.604 3.495 3.709 . 0 0 "[ . 1 . 2]" 1 323 1 22 VAL MG2 1 71 LEU MD2 . . 2.730 2.046 1.861 2.178 . 0 0 "[ . 1 . 2]" 1 324 1 23 LEU H 1 23 LEU HB2 . . 3.210 2.689 2.644 2.718 . 0 0 "[ . 1 . 2]" 1 325 1 23 LEU H 1 23 LEU HB3 . . 3.730 3.667 3.635 3.707 . 0 0 "[ . 1 . 2]" 1 326 1 23 LEU H 1 23 LEU MD2 . . 3.330 3.096 2.971 3.252 . 0 0 "[ . 1 . 2]" 1 327 1 23 LEU H 1 23 LEU HG . . 3.140 2.249 2.155 2.431 . 0 0 "[ . 1 . 2]" 1 328 1 23 LEU H 1 24 TYR H . . 3.010 2.187 2.063 2.299 . 0 0 "[ . 1 . 2]" 1 329 1 23 LEU H 1 24 TYR QD . . 5.500 3.812 3.563 3.947 . 0 0 "[ . 1 . 2]" 1 330 1 23 LEU H 1 36 LEU QB . . 5.500 5.458 5.312 5.505 0.005 4 0 "[ . 1 . 2]" 1 331 1 23 LEU H 1 70 TYR HA . . 4.470 3.744 3.510 3.939 . 0 0 "[ . 1 . 2]" 1 332 1 23 LEU H 1 70 TYR HB2 . . 5.400 4.970 4.794 5.101 . 0 0 "[ . 1 . 2]" 1 333 1 23 LEU H 1 70 TYR HB3 . . 4.590 3.589 3.382 3.771 . 0 0 "[ . 1 . 2]" 1 334 1 23 LEU H 1 71 LEU HA . . 3.700 3.397 3.148 3.594 . 0 0 "[ . 1 . 2]" 1 335 1 23 LEU H 1 71 LEU MD2 . . 4.580 4.290 4.012 4.525 . 0 0 "[ . 1 . 2]" 1 336 1 23 LEU H 1 71 LEU HG . . 5.500 5.322 5.144 5.418 . 0 0 "[ . 1 . 2]" 1 337 1 23 LEU H 1 72 GLU HB2 . . 5.500 5.477 5.345 5.504 0.004 5 0 "[ . 1 . 2]" 1 338 1 23 LEU HA 1 23 LEU MD1 . . 4.480 3.903 3.851 3.940 . 0 0 "[ . 1 . 2]" 1 339 1 23 LEU HA 1 23 LEU MD2 . . 2.630 2.289 2.033 2.391 . 0 0 "[ . 1 . 2]" 1 340 1 23 LEU HA 1 23 LEU HG . . 3.410 3.372 3.306 3.410 0.000 19 0 "[ . 1 . 2]" 1 341 1 23 LEU HA 1 38 ALA HA . . 4.800 4.497 4.115 4.731 . 0 0 "[ . 1 . 2]" 1 342 1 23 LEU HA 1 38 ALA MB . . 5.110 4.667 4.314 4.936 . 0 0 "[ . 1 . 2]" 1 343 1 23 LEU HA 1 39 ASP H . . 4.210 3.788 3.448 3.980 . 0 0 "[ . 1 . 2]" 1 344 1 23 LEU HB2 1 23 LEU MD1 . . 3.080 2.391 2.319 2.454 . 0 0 "[ . 1 . 2]" 1 345 1 23 LEU HB2 1 24 TYR H . . 3.490 2.913 2.751 3.050 . 0 0 "[ . 1 . 2]" 1 346 1 23 LEU HB2 1 24 TYR QD . . 4.020 2.277 2.146 2.335 . 0 0 "[ . 1 . 2]" 1 347 1 23 LEU HB2 1 24 TYR QE . . 4.110 2.407 2.279 2.517 . 0 0 "[ . 1 . 2]" 1 348 1 23 LEU HB2 1 70 TYR HA . . 3.730 3.303 3.186 3.438 . 0 0 "[ . 1 . 2]" 1 349 1 23 LEU HB2 1 71 LEU HA . . 5.500 5.243 4.955 5.448 . 0 0 "[ . 1 . 2]" 1 350 1 23 LEU HB3 1 23 LEU MD1 . . 3.220 2.297 2.217 2.354 . 0 0 "[ . 1 . 2]" 1 351 1 23 LEU HB3 1 23 LEU MD2 . . 3.060 2.316 2.244 2.424 . 0 0 "[ . 1 . 2]" 1 352 1 23 LEU HB3 1 24 TYR H . . 4.130 4.067 3.965 4.135 0.005 5 0 "[ . 1 . 2]" 1 353 1 23 LEU HB3 1 24 TYR QD . . 4.250 3.693 3.524 3.790 . 0 0 "[ . 1 . 2]" 1 354 1 23 LEU HB3 1 24 TYR QE . . 4.160 3.057 2.812 3.170 . 0 0 "[ . 1 . 2]" 1 355 1 23 LEU HB3 1 70 TYR HA . . 5.160 4.994 4.869 5.114 . 0 0 "[ . 1 . 2]" 1 356 1 23 LEU MD1 1 24 TYR H . . 4.980 4.665 4.522 4.864 . 0 0 "[ . 1 . 2]" 1 357 1 23 LEU MD1 1 24 TYR QD . . 4.360 3.673 3.557 3.827 . 0 0 "[ . 1 . 2]" 1 358 1 23 LEU MD1 1 24 TYR QE . . 3.640 2.515 2.384 2.630 . 0 0 "[ . 1 . 2]" 1 359 1 23 LEU MD1 1 69 THR HA . . 5.050 4.730 4.494 4.994 . 0 0 "[ . 1 . 2]" 1 360 1 23 LEU MD1 1 70 TYR HA . . 3.660 3.245 2.946 3.615 . 0 0 "[ . 1 . 2]" 1 361 1 23 LEU MD1 1 70 TYR QD . . 5.500 5.268 5.028 5.502 0.002 5 0 "[ . 1 . 2]" 1 362 1 23 LEU MD1 1 71 LEU H . . 4.620 4.321 4.048 4.619 . 0 0 "[ . 1 . 2]" 1 363 1 23 LEU MD1 1 72 GLU HA . . 4.380 3.911 3.757 4.063 . 0 0 "[ . 1 . 2]" 1 364 1 23 LEU MD1 1 72 GLU HB2 . . 3.600 2.361 2.171 2.540 . 0 0 "[ . 1 . 2]" 1 365 1 23 LEU MD1 1 72 GLU HB3 . . 4.440 3.618 3.392 3.925 . 0 0 "[ . 1 . 2]" 1 366 1 23 LEU MD1 1 72 GLU HG3 . . 4.690 4.478 4.298 4.651 . 0 0 "[ . 1 . 2]" 1 367 1 23 LEU MD2 1 24 TYR H . . 4.690 4.523 4.440 4.611 . 0 0 "[ . 1 . 2]" 1 368 1 23 LEU MD2 1 24 TYR QD . . 4.930 4.897 4.822 4.931 0.001 16 0 "[ . 1 . 2]" 1 369 1 23 LEU MD2 1 24 TYR QE . . 4.510 4.436 4.268 4.512 0.002 5 0 "[ . 1 . 2]" 1 370 1 23 LEU MD2 1 71 LEU HA . . 4.510 3.961 3.746 4.119 . 0 0 "[ . 1 . 2]" 1 371 1 23 LEU MD2 1 72 GLU H . . 3.790 3.445 3.283 3.599 . 0 0 "[ . 1 . 2]" 1 372 1 23 LEU MD2 1 72 GLU HA . . 4.440 4.063 3.990 4.150 . 0 0 "[ . 1 . 2]" 1 373 1 23 LEU MD2 1 72 GLU HB2 . . 2.990 2.050 1.980 2.313 . 0 0 "[ . 1 . 2]" 1 374 1 23 LEU MD2 1 72 GLU HB3 . . 3.450 2.237 1.993 2.484 . 0 0 "[ . 1 . 2]" 1 375 1 23 LEU MD2 1 72 GLU HG3 . . 4.340 4.099 4.010 4.173 . 0 0 "[ . 1 . 2]" 1 376 1 23 LEU HG 1 24 TYR H . . 4.190 4.031 3.943 4.171 . 0 0 "[ . 1 . 2]" 1 377 1 23 LEU HG 1 24 TYR QD . . 4.970 4.269 4.171 4.358 . 0 0 "[ . 1 . 2]" 1 378 1 23 LEU HG 1 24 TYR QE . . 5.060 4.233 4.088 4.387 . 0 0 "[ . 1 . 2]" 1 379 1 23 LEU HG 1 70 TYR HA . . 4.530 3.702 3.465 3.904 . 0 0 "[ . 1 . 2]" 1 380 1 23 LEU HG 1 71 LEU H . . 4.460 4.420 4.331 4.465 0.005 20 0 "[ . 1 . 2]" 1 381 1 23 LEU HG 1 71 LEU HA . . 3.720 3.260 3.050 3.478 . 0 0 "[ . 1 . 2]" 1 382 1 23 LEU HG 1 72 GLU H . . 3.970 3.779 3.542 3.971 0.001 3 0 "[ . 1 . 2]" 1 383 1 23 LEU HG 1 72 GLU HA . . 4.930 4.816 4.705 4.925 . 0 0 "[ . 1 . 2]" 1 384 1 23 LEU HG 1 72 GLU HB2 . . 4.320 3.434 3.302 3.545 . 0 0 "[ . 1 . 2]" 1 385 1 23 LEU HG 1 72 GLU HB3 . . 4.760 3.838 3.635 4.141 . 0 0 "[ . 1 . 2]" 1 386 1 24 TYR H 1 24 TYR HB2 . . 3.590 3.059 3.016 3.117 . 0 0 "[ . 1 . 2]" 1 387 1 24 TYR H 1 24 TYR HB3 . . 4.030 3.962 3.934 3.993 . 0 0 "[ . 1 . 2]" 1 388 1 24 TYR H 1 25 ASP H . . 4.530 4.333 4.288 4.387 . 0 0 "[ . 1 . 2]" 1 389 1 24 TYR H 1 38 ALA HA . . 4.040 3.858 3.601 4.036 . 0 0 "[ . 1 . 2]" 1 390 1 24 TYR H 1 38 ALA MB . . 4.500 4.281 4.006 4.470 . 0 0 "[ . 1 . 2]" 1 391 1 24 TYR H 1 39 ASP H . . 4.940 4.756 4.538 4.930 . 0 0 "[ . 1 . 2]" 1 392 1 24 TYR H 1 70 TYR HA . . 4.250 3.967 3.706 4.154 . 0 0 "[ . 1 . 2]" 1 393 1 24 TYR H 1 70 TYR HB2 . . 5.150 5.022 4.891 5.151 0.001 11 0 "[ . 1 . 2]" 1 394 1 24 TYR H 1 70 TYR HB3 . . 4.320 3.286 3.167 3.413 . 0 0 "[ . 1 . 2]" 1 395 1 24 TYR H 1 70 TYR QD . . 4.130 3.421 3.195 3.568 . 0 0 "[ . 1 . 2]" 1 396 1 24 TYR H 1 71 LEU MD2 . . 5.470 5.266 5.005 5.473 0.003 5 0 "[ . 1 . 2]" 1 397 1 24 TYR HA 1 24 TYR HB3 . . 2.950 2.345 2.323 2.365 . 0 0 "[ . 1 . 2]" 1 398 1 24 TYR HA 1 24 TYR QD . . 3.340 3.098 3.045 3.137 . 0 0 "[ . 1 . 2]" 1 399 1 24 TYR HA 1 25 ASP H . . 2.720 2.246 2.207 2.292 . 0 0 "[ . 1 . 2]" 1 400 1 24 TYR HA 1 25 ASP QB . . 4.890 4.470 4.079 4.751 . 0 0 "[ . 1 . 2]" 1 401 1 24 TYR HA 1 38 ALA MB . . 3.020 2.344 2.119 2.773 . 0 0 "[ . 1 . 2]" 1 402 1 24 TYR HB2 1 25 ASP H . . 3.890 3.688 3.565 3.791 . 0 0 "[ . 1 . 2]" 1 403 1 24 TYR HB2 1 70 TYR HA . . 4.600 4.478 4.211 4.601 0.001 20 0 "[ . 1 . 2]" 1 404 1 24 TYR HB2 1 70 TYR QD . . 3.700 2.402 2.248 2.647 . 0 0 "[ . 1 . 2]" 1 405 1 24 TYR HB2 1 70 TYR QE . . 3.640 2.864 2.549 3.018 . 0 0 "[ . 1 . 2]" 1 406 1 24 TYR HB3 1 25 ASP H . . 3.440 2.925 2.801 3.069 . 0 0 "[ . 1 . 2]" 1 407 1 24 TYR HB3 1 25 ASP HA . . 5.320 5.152 5.094 5.246 . 0 0 "[ . 1 . 2]" 1 408 1 24 TYR HB3 1 38 ALA MB . . 4.750 4.230 4.014 4.698 . 0 0 "[ . 1 . 2]" 1 409 1 24 TYR HB3 1 70 TYR QD . . 4.140 4.015 3.880 4.122 . 0 0 "[ . 1 . 2]" 1 410 1 24 TYR HB3 1 70 TYR QE . . 4.080 3.906 3.615 4.071 . 0 0 "[ . 1 . 2]" 1 411 1 24 TYR QD 1 25 ASP H . . 4.720 4.418 4.353 4.549 . 0 0 "[ . 1 . 2]" 1 412 1 24 TYR QD 1 38 ALA MB . . 4.920 4.448 4.281 4.861 . 0 0 "[ . 1 . 2]" 1 413 1 24 TYR QD 1 70 TYR HA . . 3.130 2.683 2.510 2.811 . 0 0 "[ . 1 . 2]" 1 414 1 24 TYR QD 1 70 TYR HB2 . . 5.100 4.909 4.813 4.970 . 0 0 "[ . 1 . 2]" 1 415 1 24 TYR QD 1 70 TYR HB3 . . 4.800 3.665 3.552 3.757 . 0 0 "[ . 1 . 2]" 1 416 1 24 TYR QD 1 70 TYR QD . . 4.460 3.282 2.977 3.653 . 0 0 "[ . 1 . 2]" 1 417 1 24 TYR QE 1 70 TYR HA . . 3.750 3.660 3.418 3.751 0.001 15 0 "[ . 1 . 2]" 1 418 1 25 ASP H 1 25 ASP HB2 . . 3.600 3.305 2.211 3.595 . 0 0 "[ . 1 . 2]" 1 419 1 25 ASP H 1 25 ASP QB . . 2.950 2.610 2.146 2.763 . 0 0 "[ . 1 . 2]" 1 420 1 25 ASP H 1 25 ASP HB3 . . 3.600 2.855 2.556 3.541 . 0 0 "[ . 1 . 2]" 1 421 1 25 ASP H 1 38 ALA H . . 4.000 3.791 3.554 3.999 . 0 0 "[ . 1 . 2]" 1 422 1 25 ASP H 1 38 ALA MB . . 3.280 2.633 2.290 2.918 . 0 0 "[ . 1 . 2]" 1 423 1 25 ASP HA 1 26 TYR H . . 2.710 2.160 2.139 2.267 . 0 0 "[ . 1 . 2]" 1 424 1 25 ASP HA 1 26 TYR HB2 . . 4.990 4.635 4.389 4.786 . 0 0 "[ . 1 . 2]" 1 425 1 25 ASP HA 1 26 TYR HB3 . . 4.980 4.500 4.372 4.635 . 0 0 "[ . 1 . 2]" 1 426 1 25 ASP HA 1 36 LEU H . . 4.800 4.495 4.383 4.683 . 0 0 "[ . 1 . 2]" 1 427 1 25 ASP HA 1 36 LEU QB . . 4.300 3.344 3.181 3.607 . 0 0 "[ . 1 . 2]" 1 428 1 25 ASP HA 1 37 LEU HA . . 3.090 2.493 2.175 2.933 . 0 0 "[ . 1 . 2]" 1 429 1 25 ASP HA 1 37 LEU MD2 . . 4.270 3.952 3.649 4.253 . 0 0 "[ . 1 . 2]" 1 430 1 25 ASP HA 1 38 ALA H . . 3.330 3.273 2.867 3.335 0.005 3 0 "[ . 1 . 2]" 1 431 1 25 ASP HA 1 38 ALA MB . . 3.970 3.853 3.642 3.976 0.006 15 0 "[ . 1 . 2]" 1 432 1 25 ASP QB 1 26 TYR H . . 3.430 3.327 3.163 3.417 . 0 0 "[ . 1 . 2]" 1 433 1 25 ASP QB 1 37 LEU HA . . 3.970 2.500 2.007 3.636 . 0 0 "[ . 1 . 2]" 1 434 1 25 ASP QB 1 37 LEU MD2 . . 3.870 2.764 2.288 3.819 . 0 0 "[ . 1 . 2]" 1 435 1 25 ASP QB 1 38 ALA H . . 3.980 2.474 2.118 3.318 . 0 0 "[ . 1 . 2]" 1 436 1 25 ASP HB2 1 26 TYR H . . 4.280 3.631 3.280 4.201 . 0 0 "[ . 1 . 2]" 1 437 1 25 ASP HB2 1 37 LEU HA . . 4.760 3.199 2.773 4.086 . 0 0 "[ . 1 . 2]" 1 438 1 25 ASP HB2 1 37 LEU MD2 . . 4.720 3.307 2.707 4.074 . 0 0 "[ . 1 . 2]" 1 439 1 25 ASP HB2 1 38 ALA H . . 4.700 3.806 2.780 4.518 . 0 0 "[ . 1 . 2]" 1 440 1 25 ASP HB3 1 26 TYR H . . 4.280 4.040 3.596 4.264 . 0 0 "[ . 1 . 2]" 1 441 1 25 ASP HB3 1 37 LEU HA . . 4.760 2.748 2.059 4.727 . 0 0 "[ . 1 . 2]" 1 442 1 25 ASP HB3 1 37 LEU MD2 . . 4.720 3.058 2.392 4.723 0.003 9 0 "[ . 1 . 2]" 1 443 1 25 ASP HB3 1 38 ALA H . . 4.700 2.741 2.128 4.634 . 0 0 "[ . 1 . 2]" 1 444 1 26 TYR H 1 26 TYR HB2 . . 3.780 3.032 2.915 3.323 . 0 0 "[ . 1 . 2]" 1 445 1 26 TYR H 1 26 TYR HB3 . . 3.530 2.502 2.368 2.789 . 0 0 "[ . 1 . 2]" 1 446 1 26 TYR H 1 26 TYR QD . . 4.520 4.221 4.089 4.401 . 0 0 "[ . 1 . 2]" 1 447 1 26 TYR H 1 36 LEU H . . 3.400 2.737 2.604 2.828 . 0 0 "[ . 1 . 2]" 1 448 1 26 TYR H 1 36 LEU QB . . 3.410 2.169 1.912 2.724 . 0 0 "[ . 1 . 2]" 1 449 1 26 TYR H 1 36 LEU MD2 . . 5.500 4.777 4.521 5.165 . 0 0 "[ . 1 . 2]" 1 450 1 26 TYR H 1 37 LEU HA . . 3.990 3.781 3.607 3.928 . 0 0 "[ . 1 . 2]" 1 451 1 26 TYR H 1 37 LEU MD2 . . 5.500 4.872 4.317 5.268 . 0 0 "[ . 1 . 2]" 1 452 1 26 TYR H 1 70 TYR QE . . 5.500 5.281 5.149 5.444 . 0 0 "[ . 1 . 2]" 1 453 1 26 TYR HA 1 26 TYR QD . . 3.140 2.618 2.390 2.959 . 0 0 "[ . 1 . 2]" 1 454 1 26 TYR HA 1 27 ASP H . . 2.710 2.263 2.155 2.320 . 0 0 "[ . 1 . 2]" 1 455 1 26 TYR HA 1 27 ASP QB . . 4.420 4.126 3.919 4.460 0.040 13 0 "[ . 1 . 2]" 1 456 1 26 TYR HA 1 36 LEU QB . . 4.870 4.252 4.009 4.386 . 0 0 "[ . 1 . 2]" 1 457 1 26 TYR HA 1 70 TYR QE . . 3.840 3.615 3.397 3.750 . 0 0 "[ . 1 . 2]" 1 458 1 26 TYR HB2 1 27 ASP H . . 4.280 3.919 3.780 4.103 . 0 0 "[ . 1 . 2]" 1 459 1 26 TYR HB2 1 35 SER HA . . 5.500 5.492 5.446 5.508 0.008 17 0 "[ . 1 . 2]" 1 460 1 26 TYR HB2 1 36 LEU H . . 4.340 4.229 4.132 4.344 0.004 11 0 "[ . 1 . 2]" 1 461 1 26 TYR HB2 1 36 LEU QB . . 3.670 3.024 2.572 3.265 . 0 0 "[ . 1 . 2]" 1 462 1 26 TYR HB2 1 36 LEU MD1 . . 3.710 2.888 2.444 3.311 . 0 0 "[ . 1 . 2]" 1 463 1 26 TYR HB2 1 36 LEU HG . . 4.400 3.897 3.407 4.301 . 0 0 "[ . 1 . 2]" 1 464 1 26 TYR HB2 1 67 PRO HG2 . . 5.400 3.662 3.362 3.904 . 0 0 "[ . 1 . 2]" 1 465 1 26 TYR HB2 1 70 TYR HB3 . . 4.560 3.801 3.623 4.073 . 0 0 "[ . 1 . 2]" 1 466 1 26 TYR HB2 1 70 TYR QD . . 3.930 2.840 2.591 3.063 . 0 0 "[ . 1 . 2]" 1 467 1 26 TYR HB2 1 70 TYR QE . . 3.710 3.612 3.338 3.711 0.001 11 0 "[ . 1 . 2]" 1 468 1 26 TYR HB3 1 27 ASP H . . 4.570 3.950 3.704 4.300 . 0 0 "[ . 1 . 2]" 1 469 1 26 TYR HB3 1 35 SER HA . . 4.380 3.900 3.792 4.046 . 0 0 "[ . 1 . 2]" 1 470 1 26 TYR HB3 1 36 LEU H . . 3.670 2.622 2.503 2.831 . 0 0 "[ . 1 . 2]" 1 471 1 26 TYR HB3 1 36 LEU QB . . 3.410 2.044 1.990 2.180 . 0 0 "[ . 1 . 2]" 1 472 1 26 TYR HB3 1 36 LEU MD1 . . 3.560 2.491 2.184 2.882 . 0 0 "[ . 1 . 2]" 1 473 1 26 TYR HB3 1 36 LEU HG . . 3.980 2.378 1.997 2.711 . 0 0 "[ . 1 . 2]" 1 474 1 26 TYR HB3 1 67 PRO HG2 . . 5.310 4.340 4.124 4.670 . 0 0 "[ . 1 . 2]" 1 475 1 26 TYR HB3 1 70 TYR QD . . 4.640 4.278 4.083 4.408 . 0 0 "[ . 1 . 2]" 1 476 1 26 TYR HB3 1 70 TYR QE . . 5.400 5.201 4.999 5.302 . 0 0 "[ . 1 . 2]" 1 477 1 26 TYR QD 1 27 ASP H . . 3.830 2.883 2.366 3.254 . 0 0 "[ . 1 . 2]" 1 478 1 26 TYR QD 1 28 ALA H . . 4.600 3.787 3.495 4.248 . 0 0 "[ . 1 . 2]" 1 479 1 26 TYR QD 1 28 ALA HA . . 4.670 3.806 3.562 4.127 . 0 0 "[ . 1 . 2]" 1 480 1 26 TYR QD 1 28 ALA MB . . 5.110 3.868 3.484 4.172 . 0 0 "[ . 1 . 2]" 1 481 1 26 TYR QD 1 34 LEU H . . 4.860 4.481 4.312 4.693 . 0 0 "[ . 1 . 2]" 1 482 1 26 TYR QD 1 35 SER HA . . 3.550 2.934 2.477 3.308 . 0 0 "[ . 1 . 2]" 1 483 1 26 TYR QD 1 36 LEU H . . 4.140 3.180 2.682 3.688 . 0 0 "[ . 1 . 2]" 1 484 1 26 TYR QD 1 36 LEU QB . . 4.650 3.723 3.410 3.899 . 0 0 "[ . 1 . 2]" 1 485 1 26 TYR QD 1 36 LEU MD1 . . 4.030 3.185 2.685 3.588 . 0 0 "[ . 1 . 2]" 1 486 1 26 TYR QD 1 36 LEU MD2 . . 4.680 3.851 3.562 4.076 . 0 0 "[ . 1 . 2]" 1 487 1 26 TYR QD 1 36 LEU HG . . 4.220 2.419 2.096 2.657 . 0 0 "[ . 1 . 2]" 1 488 1 26 TYR QD 1 66 VAL MG1 . . 4.900 4.231 3.718 4.556 . 0 0 "[ . 1 . 2]" 1 489 1 26 TYR QD 1 67 PRO HD2 . . 4.610 3.606 3.074 3.907 . 0 0 "[ . 1 . 2]" 1 490 1 26 TYR QD 1 67 PRO HD3 . . 4.450 3.741 3.485 3.996 . 0 0 "[ . 1 . 2]" 1 491 1 26 TYR QD 1 67 PRO HG3 . . 5.120 3.270 2.647 3.511 . 0 0 "[ . 1 . 2]" 1 492 1 26 TYR QD 1 70 TYR QD . . 5.000 4.081 3.732 4.551 . 0 0 "[ . 1 . 2]" 1 493 1 26 TYR QE 1 27 ASP H . . 4.520 3.840 3.537 4.299 . 0 0 "[ . 1 . 2]" 1 494 1 26 TYR QE 1 28 ALA H . . 4.920 3.996 3.468 4.421 . 0 0 "[ . 1 . 2]" 1 495 1 26 TYR QE 1 28 ALA HA . . 2.970 2.325 2.016 2.845 . 0 0 "[ . 1 . 2]" 1 496 1 26 TYR QE 1 28 ALA MB . . 3.780 3.184 2.452 3.731 . 0 0 "[ . 1 . 2]" 1 497 1 26 TYR QE 1 29 ALA H . . 3.820 3.706 3.366 3.827 0.007 19 0 "[ . 1 . 2]" 1 498 1 26 TYR QE 1 29 ALA MB . . 4.820 4.440 4.045 4.742 . 0 0 "[ . 1 . 2]" 1 499 1 26 TYR QE 1 33 GLU HA . . 5.210 4.562 4.122 4.965 . 0 0 "[ . 1 . 2]" 1 500 1 26 TYR QE 1 33 GLU HB2 . . 4.300 3.935 3.507 4.304 0.004 9 0 "[ . 1 . 2]" 1 501 1 26 TYR QE 1 33 GLU HB3 . . 3.620 2.494 2.241 2.798 . 0 0 "[ . 1 . 2]" 1 502 1 26 TYR QE 1 33 GLU HG2 . . 4.920 3.832 3.536 4.364 . 0 0 "[ . 1 . 2]" 1 503 1 26 TYR QE 1 33 GLU HG3 . . 5.340 5.022 4.834 5.203 . 0 0 "[ . 1 . 2]" 1 504 1 26 TYR QE 1 34 LEU H . . 4.440 3.627 2.931 4.238 . 0 0 "[ . 1 . 2]" 1 505 1 26 TYR QE 1 36 LEU MD1 . . 5.210 4.577 4.192 5.056 . 0 0 "[ . 1 . 2]" 1 506 1 26 TYR QE 1 36 LEU MD2 . . 5.500 5.227 4.795 5.498 . 0 0 "[ . 1 . 2]" 1 507 1 26 TYR QE 1 36 LEU HG . . 5.490 4.522 4.138 4.843 . 0 0 "[ . 1 . 2]" 1 508 1 26 TYR QE 1 54 TRP HH2 . . 4.600 3.279 2.773 3.502 . 0 0 "[ . 1 . 2]" 1 509 1 26 TYR QE 1 66 VAL HA . . 4.690 4.350 3.619 4.668 . 0 0 "[ . 1 . 2]" 1 510 1 26 TYR QE 1 67 PRO HD2 . . 4.440 4.253 3.747 4.441 0.001 5 0 "[ . 1 . 2]" 1 511 1 26 TYR QE 1 67 PRO HD3 . . 4.130 3.410 3.049 3.718 . 0 0 "[ . 1 . 2]" 1 512 1 26 TYR QE 1 67 PRO HG2 . . 5.080 4.884 4.669 5.070 . 0 0 "[ . 1 . 2]" 1 513 1 26 TYR QE 1 67 PRO HG3 . . 4.130 3.531 3.108 3.791 . 0 0 "[ . 1 . 2]" 1 514 1 27 ASP H 1 27 ASP HB2 . . 3.590 2.917 2.393 3.647 0.057 6 0 "[ . 1 . 2]" 1 515 1 27 ASP H 1 27 ASP QB . . 2.920 2.568 2.359 2.927 0.007 17 0 "[ . 1 . 2]" 1 516 1 27 ASP H 1 27 ASP HB3 . . 3.590 3.161 2.618 3.606 0.016 11 0 "[ . 1 . 2]" 1 517 1 27 ASP H 1 70 TYR QE . . 5.340 5.270 4.998 5.342 0.002 5 0 "[ . 1 . 2]" 1 518 1 27 ASP HA 1 28 ALA H . . 2.650 2.164 2.143 2.172 . 0 0 "[ . 1 . 2]" 1 519 1 27 ASP HA 1 28 ALA MB . . 4.050 3.993 3.956 4.010 . 0 0 "[ . 1 . 2]" 1 520 1 27 ASP HA 1 35 SER HA . . 3.520 3.143 2.739 3.520 0.000 19 0 "[ . 1 . 2]" 1 521 1 27 ASP HA 1 35 SER QB . . 3.910 3.336 2.713 3.850 . 0 0 "[ . 1 . 2]" 1 522 1 27 ASP HA 1 36 LEU H . . 4.440 3.853 3.574 4.193 . 0 0 "[ . 1 . 2]" 1 523 1 27 ASP QB 1 28 ALA H . . 4.020 3.712 3.518 3.956 . 0 0 "[ . 1 . 2]" 1 524 1 27 ASP HB2 1 28 ALA H . . 4.610 4.340 3.722 4.578 . 0 0 "[ . 1 . 2]" 1 525 1 27 ASP HB3 1 28 ALA H . . 4.610 4.124 3.710 4.422 . 0 0 "[ . 1 . 2]" 1 526 1 28 ALA H 1 28 ALA MB . . 2.750 2.203 2.092 2.260 . 0 0 "[ . 1 . 2]" 1 527 1 28 ALA H 1 35 SER HA . . 3.250 2.346 2.184 2.623 . 0 0 "[ . 1 . 2]" 1 528 1 28 ALA H 1 35 SER HB2 . . 4.410 3.732 3.007 4.396 . 0 0 "[ . 1 . 2]" 1 529 1 28 ALA H 1 35 SER QB . . 3.700 3.197 2.614 3.702 0.002 8 0 "[ . 1 . 2]" 1 530 1 28 ALA H 1 35 SER HB3 . . 4.410 3.656 2.820 4.417 0.007 9 0 "[ . 1 . 2]" 1 531 1 28 ALA H 1 36 LEU H . . 4.630 4.155 4.010 4.487 . 0 0 "[ . 1 . 2]" 1 532 1 28 ALA HA 1 29 ALA H . . 2.650 2.167 2.144 2.209 . 0 0 "[ . 1 . 2]" 1 533 1 28 ALA HA 1 29 ALA MB . . 3.940 3.912 3.875 3.943 0.003 1 0 "[ . 1 . 2]" 1 534 1 28 ALA HA 1 30 ASN H . . 4.050 3.892 3.727 4.028 . 0 0 "[ . 1 . 2]" 1 535 1 28 ALA HA 1 33 GLU HB2 . . 3.550 3.050 2.536 3.316 . 0 0 "[ . 1 . 2]" 1 536 1 28 ALA HA 1 33 GLU HB3 . . 3.610 2.587 2.431 2.844 . 0 0 "[ . 1 . 2]" 1 537 1 28 ALA MB 1 29 ALA H . . 3.400 3.034 2.855 3.192 . 0 0 "[ . 1 . 2]" 1 538 1 28 ALA MB 1 30 ASN H . . 3.240 3.067 2.863 3.240 . 0 0 "[ . 1 . 2]" 1 539 1 28 ALA MB 1 30 ASN HA . . 4.820 4.546 4.227 4.686 . 0 0 "[ . 1 . 2]" 1 540 1 28 ALA MB 1 31 SER HA . . 4.630 4.462 4.319 4.595 . 0 0 "[ . 1 . 2]" 1 541 1 28 ALA MB 1 33 GLU H . . 3.820 3.628 3.274 3.764 . 0 0 "[ . 1 . 2]" 1 542 1 28 ALA MB 1 33 GLU HA . . 4.460 3.851 3.650 3.987 . 0 0 "[ . 1 . 2]" 1 543 1 28 ALA MB 1 33 GLU HB2 . . 2.990 2.423 2.137 2.561 . 0 0 "[ . 1 . 2]" 1 544 1 28 ALA MB 1 33 GLU HB3 . . 3.340 2.609 2.244 2.959 . 0 0 "[ . 1 . 2]" 1 545 1 28 ALA MB 1 33 GLU HG2 . . 4.720 4.542 4.203 4.711 . 0 0 "[ . 1 . 2]" 1 546 1 28 ALA MB 1 33 GLU HG3 . . 4.690 4.576 4.312 4.695 0.005 17 0 "[ . 1 . 2]" 1 547 1 28 ALA MB 1 34 LEU H . . 3.570 3.052 2.716 3.307 . 0 0 "[ . 1 . 2]" 1 548 1 28 ALA MB 1 34 LEU HA . . 3.790 2.513 2.310 2.662 . 0 0 "[ . 1 . 2]" 1 549 1 28 ALA MB 1 35 SER H . . 3.540 2.903 2.745 3.150 . 0 0 "[ . 1 . 2]" 1 550 1 28 ALA MB 1 35 SER HA . . 3.690 3.027 2.802 3.372 . 0 0 "[ . 1 . 2]" 1 551 1 28 ALA MB 1 35 SER HB2 . . 4.630 3.884 2.967 4.466 . 0 0 "[ . 1 . 2]" 1 552 1 28 ALA MB 1 35 SER HB3 . . 4.630 4.075 2.935 4.630 0.000 12 0 "[ . 1 . 2]" 1 553 1 28 ALA MB 1 65 LYS H . . 5.500 5.332 5.136 5.507 0.007 15 0 "[ . 1 . 2]" 1 554 1 29 ALA H 1 29 ALA MB . . 2.780 2.126 2.038 2.222 . 0 0 "[ . 1 . 2]" 1 555 1 29 ALA H 1 30 ASN H . . 3.000 2.398 2.208 2.579 . 0 0 "[ . 1 . 2]" 1 556 1 29 ALA H 1 33 GLU HB2 . . 3.750 2.658 2.136 2.920 . 0 0 "[ . 1 . 2]" 1 557 1 29 ALA H 1 33 GLU HB3 . . 4.140 3.188 3.077 3.376 . 0 0 "[ . 1 . 2]" 1 558 1 29 ALA H 1 33 GLU HG2 . . 4.700 4.414 4.134 4.641 . 0 0 "[ . 1 . 2]" 1 559 1 29 ALA H 1 33 GLU HG3 . . 4.620 4.411 3.852 4.614 . 0 0 "[ . 1 . 2]" 1 560 1 29 ALA MB 1 30 ASN H . . 3.380 2.775 2.638 2.944 . 0 0 "[ . 1 . 2]" 1 561 1 29 ALA MB 1 30 ASN HA . . 4.560 4.179 4.067 4.291 . 0 0 "[ . 1 . 2]" 1 562 1 29 ALA MB 1 30 ASN HB2 . . 5.000 4.794 4.366 4.927 . 0 0 "[ . 1 . 2]" 1 563 1 29 ALA MB 1 30 ASN QB . . 4.270 3.647 3.306 3.984 . 0 0 "[ . 1 . 2]" 1 564 1 29 ALA MB 1 30 ASN HB3 . . 5.000 3.801 3.376 4.597 . 0 0 "[ . 1 . 2]" 1 565 1 29 ALA MB 1 30 ASN HD21 . . 4.230 3.615 1.996 4.230 . 14 0 "[ . 1 . 2]" 1 566 1 29 ALA MB 1 30 ASN HD22 . . 4.230 3.545 2.534 4.099 . 0 0 "[ . 1 . 2]" 1 567 1 29 ALA MB 1 54 TRP HH2 . . 5.380 4.991 4.153 5.332 . 0 0 "[ . 1 . 2]" 1 568 1 30 ASN H 1 33 GLU HB2 . . 3.510 2.266 2.153 2.503 . 0 0 "[ . 1 . 2]" 1 569 1 30 ASN H 1 33 GLU HB3 . . 4.210 3.847 3.630 4.202 . 0 0 "[ . 1 . 2]" 1 570 1 30 ASN H 1 33 GLU HG2 . . 4.890 4.782 4.564 4.885 . 0 0 "[ . 1 . 2]" 1 571 1 30 ASN H 1 33 GLU HG3 . . 4.140 3.886 3.307 4.068 . 0 0 "[ . 1 . 2]" 1 572 1 30 ASN QB 1 32 THR H . . 4.180 2.957 2.140 3.475 . 0 0 "[ . 1 . 2]" 1 573 1 30 ASN QB 1 32 THR MG . . 5.340 3.912 3.249 4.231 . 0 0 "[ . 1 . 2]" 1 574 1 30 ASN HB2 1 32 THR H . . 4.800 2.998 2.158 3.568 . 0 0 "[ . 1 . 2]" 1 575 1 30 ASN HB3 1 32 THR H . . 4.800 4.602 3.534 4.803 0.003 1 0 "[ . 1 . 2]" 1 576 1 30 ASN QD 1 32 THR H . . 4.420 3.502 1.965 4.421 0.001 3 0 "[ . 1 . 2]" 1 577 1 30 ASN QD 1 32 THR MG . . 4.820 3.962 3.467 4.235 . 0 0 "[ . 1 . 2]" 1 578 1 30 ASN QD 1 33 GLU HG2 . . 5.340 3.774 3.206 5.304 . 0 0 "[ . 1 . 2]" 1 579 1 30 ASN QD 1 33 GLU HG3 . . 4.700 2.436 1.788 3.929 . 0 0 "[ . 1 . 2]" 1 580 1 30 ASN HD21 1 32 THR H . . 5.150 3.787 1.978 4.971 . 0 0 "[ . 1 . 2]" 1 581 1 30 ASN HD21 1 33 GLU HG3 . . 5.500 3.265 2.191 5.365 . 0 0 "[ . 1 . 2]" 1 582 1 30 ASN HD22 1 32 THR H . . 5.150 4.529 3.389 5.199 0.049 18 0 "[ . 1 . 2]" 1 583 1 30 ASN HD22 1 33 GLU HG3 . . 5.500 2.571 1.896 4.552 . 0 0 "[ . 1 . 2]" 1 584 1 31 SER HA 1 31 SER QB . . 2.640 2.368 2.177 2.481 . 0 0 "[ . 1 . 2]" 1 585 1 31 SER HA 1 33 GLU H . . 4.070 3.905 3.407 4.058 . 0 0 "[ . 1 . 2]" 1 586 1 31 SER HB2 1 32 THR H . . 5.160 3.307 2.194 4.289 . 0 0 "[ . 1 . 2]" 1 587 1 31 SER HB3 1 32 THR H . . 5.160 3.042 2.166 4.370 . 0 0 "[ . 1 . 2]" 1 588 1 32 THR H 1 32 THR MG . . 3.140 2.398 1.919 2.948 . 0 0 "[ . 1 . 2]" 1 589 1 32 THR H 1 33 GLU H . . 3.170 2.835 2.202 2.959 . 0 0 "[ . 1 . 2]" 1 590 1 32 THR H 1 33 GLU HG3 . . 5.260 4.857 3.750 5.257 . 0 0 "[ . 1 . 2]" 1 591 1 32 THR HA 1 32 THR HB . . 2.620 2.538 2.421 2.606 . 0 0 "[ . 1 . 2]" 1 592 1 32 THR HA 1 32 THR MG . . 2.850 2.227 2.101 2.418 . 0 0 "[ . 1 . 2]" 1 593 1 32 THR HB 1 33 GLU H . . 4.910 3.776 3.540 4.372 . 0 0 "[ . 1 . 2]" 1 594 1 32 THR HB 1 33 GLU HG3 . . 4.830 3.766 3.537 4.156 . 0 0 "[ . 1 . 2]" 1 595 1 32 THR HB 1 65 LYS H . . 4.790 4.200 3.906 4.659 . 0 0 "[ . 1 . 2]" 1 596 1 32 THR HB 1 65 LYS HD2 . . 5.500 5.481 5.116 5.508 0.008 1 0 "[ . 1 . 2]" 1 597 1 32 THR HB 1 65 LYS HD3 . . 4.750 4.256 3.979 4.575 . 0 0 "[ . 1 . 2]" 1 598 1 32 THR HB 1 65 LYS HE2 . . 4.550 3.404 2.741 3.806 . 0 0 "[ . 1 . 2]" 1 599 1 32 THR HB 1 65 LYS HE3 . . 5.500 5.120 4.477 5.474 . 0 0 "[ . 1 . 2]" 1 600 1 32 THR HB 1 65 LYS HG3 . . 4.700 2.993 2.822 3.363 . 0 0 "[ . 1 . 2]" 1 601 1 32 THR MG 1 33 GLU H . . 4.350 4.088 3.870 4.376 0.026 11 0 "[ . 1 . 2]" 1 602 1 32 THR MG 1 33 GLU HG3 . . 5.220 4.796 4.532 5.011 . 0 0 "[ . 1 . 2]" 1 603 1 32 THR MG 1 65 LYS HE2 . . 5.500 4.632 4.133 5.070 . 0 0 "[ . 1 . 2]" 1 604 1 33 GLU H 1 33 GLU HB2 . . 3.290 2.453 2.294 2.935 . 0 0 "[ . 1 . 2]" 1 605 1 33 GLU H 1 33 GLU HB3 . . 3.910 3.657 3.564 3.940 0.030 11 0 "[ . 1 . 2]" 1 606 1 33 GLU H 1 33 GLU HG2 . . 4.180 4.094 3.950 4.224 0.044 11 0 "[ . 1 . 2]" 1 607 1 33 GLU H 1 33 GLU HG3 . . 3.540 2.882 2.644 3.397 . 0 0 "[ . 1 . 2]" 1 608 1 33 GLU H 1 65 LYS H . . 4.880 4.164 3.692 4.328 . 0 0 "[ . 1 . 2]" 1 609 1 33 GLU HA 1 33 GLU HG2 . . 3.400 2.662 2.490 2.855 . 0 0 "[ . 1 . 2]" 1 610 1 33 GLU HA 1 33 GLU HG3 . . 3.640 2.795 2.699 3.129 . 0 0 "[ . 1 . 2]" 1 611 1 33 GLU HA 1 34 LEU H . . 2.830 2.303 2.256 2.333 . 0 0 "[ . 1 . 2]" 1 612 1 33 GLU HA 1 34 LEU HB2 . . 4.760 4.169 4.155 4.182 . 0 0 "[ . 1 . 2]" 1 613 1 33 GLU HA 1 34 LEU HB3 . . 5.500 5.568 5.560 5.577 0.077 18 0 "[ . 1 . 2]" 1 614 1 33 GLU HA 1 34 LEU HG . . 4.900 4.429 4.384 4.483 . 0 0 "[ . 1 . 2]" 1 615 1 33 GLU HA 1 64 GLY HA2 . . 4.260 4.125 3.792 4.262 0.002 16 0 "[ . 1 . 2]" 1 616 1 33 GLU HA 1 64 GLY HA3 . . 4.040 3.285 3.015 3.404 . 0 0 "[ . 1 . 2]" 1 617 1 33 GLU HA 1 65 LYS H . . 2.840 1.976 1.896 2.108 . 0 0 "[ . 1 . 2]" 1 618 1 33 GLU HA 1 65 LYS HB2 . . 3.510 2.774 2.649 2.896 . 0 0 "[ . 1 . 2]" 1 619 1 33 GLU HA 1 65 LYS HG2 . . 5.380 4.878 4.728 5.063 . 0 0 "[ . 1 . 2]" 1 620 1 33 GLU HB2 1 34 LEU H . . 4.020 3.890 3.742 4.011 . 0 0 "[ . 1 . 2]" 1 621 1 33 GLU HB3 1 34 LEU H . . 3.270 2.690 2.598 2.819 . 0 0 "[ . 1 . 2]" 1 622 1 33 GLU HB3 1 54 TRP HZ3 . . 5.060 3.556 3.164 3.840 . 0 0 "[ . 1 . 2]" 1 623 1 33 GLU HB3 1 65 LYS H . . 4.650 4.437 4.288 4.630 . 0 0 "[ . 1 . 2]" 1 624 1 33 GLU HG2 1 34 LEU H . . 4.200 3.969 3.735 4.190 . 0 0 "[ . 1 . 2]" 1 625 1 33 GLU HG2 1 54 TRP HE3 . . 5.370 3.898 3.723 4.175 . 0 0 "[ . 1 . 2]" 1 626 1 33 GLU HG2 1 54 TRP HH2 . . 5.040 3.691 3.457 4.037 . 0 0 "[ . 1 . 2]" 1 627 1 33 GLU HG2 1 54 TRP HZ2 . . 5.500 5.358 5.029 5.510 0.010 11 0 "[ . 1 . 2]" 1 628 1 33 GLU HG2 1 54 TRP HZ3 . . 4.640 2.644 2.450 2.878 . 0 0 "[ . 1 . 2]" 1 629 1 33 GLU HG2 1 65 LYS H . . 4.490 3.990 3.535 4.382 . 0 0 "[ . 1 . 2]" 1 630 1 33 GLU HG2 1 65 LYS HB2 . . 3.930 2.645 2.156 3.051 . 0 0 "[ . 1 . 2]" 1 631 1 33 GLU HG3 1 34 LEU H . . 4.930 4.706 4.594 4.951 0.021 11 0 "[ . 1 . 2]" 1 632 1 33 GLU HG3 1 54 TRP HE3 . . 5.500 5.320 5.081 5.493 . 0 0 "[ . 1 . 2]" 1 633 1 33 GLU HG3 1 54 TRP HH2 . . 5.500 5.090 4.811 5.413 . 0 0 "[ . 1 . 2]" 1 634 1 33 GLU HG3 1 54 TRP HZ3 . . 4.950 4.367 4.180 4.523 . 0 0 "[ . 1 . 2]" 1 635 1 33 GLU HG3 1 65 LYS H . . 4.200 4.100 3.983 4.210 0.010 11 0 "[ . 1 . 2]" 1 636 1 33 GLU HG3 1 65 LYS HB2 . . 4.110 3.223 3.006 3.531 . 0 0 "[ . 1 . 2]" 1 637 1 34 LEU H 1 34 LEU HB2 . . 3.220 2.404 2.357 2.452 . 0 0 "[ . 1 . 2]" 1 638 1 34 LEU H 1 34 LEU HB3 . . 3.750 3.551 3.528 3.577 . 0 0 "[ . 1 . 2]" 1 639 1 34 LEU H 1 34 LEU MD1 . . 4.420 4.271 4.207 4.330 . 0 0 "[ . 1 . 2]" 1 640 1 34 LEU H 1 34 LEU MD2 . . 4.210 4.166 4.122 4.216 0.006 18 0 "[ . 1 . 2]" 1 641 1 34 LEU H 1 34 LEU HG . . 3.690 3.640 3.592 3.681 . 0 0 "[ . 1 . 2]" 1 642 1 34 LEU H 1 36 LEU MD2 . . 4.820 4.563 4.201 4.815 . 0 0 "[ . 1 . 2]" 1 643 1 34 LEU H 1 64 GLY HA2 . . 5.110 4.985 4.716 5.110 . 0 0 "[ . 1 . 2]" 1 644 1 34 LEU H 1 64 GLY HA3 . . 4.070 3.492 3.228 3.628 . 0 0 "[ . 1 . 2]" 1 645 1 34 LEU H 1 65 LYS H . . 3.840 3.338 3.034 3.642 . 0 0 "[ . 1 . 2]" 1 646 1 34 LEU H 1 65 LYS HB2 . . 5.240 4.352 4.149 4.619 . 0 0 "[ . 1 . 2]" 1 647 1 34 LEU H 1 66 VAL HA . . 4.710 4.010 3.821 4.206 . 0 0 "[ . 1 . 2]" 1 648 1 34 LEU H 1 66 VAL MG1 . . 3.740 3.418 3.053 3.523 . 0 0 "[ . 1 . 2]" 1 649 1 34 LEU HA 1 34 LEU MD1 . . 3.880 3.793 3.783 3.806 . 0 0 "[ . 1 . 2]" 1 650 1 34 LEU HA 1 34 LEU MD2 . . 3.110 2.009 1.942 2.096 . 0 0 "[ . 1 . 2]" 1 651 1 34 LEU HA 1 34 LEU HG . . 3.770 2.826 2.772 2.860 . 0 0 "[ . 1 . 2]" 1 652 1 34 LEU HA 1 35 SER H . . 2.620 2.271 2.254 2.303 . 0 0 "[ . 1 . 2]" 1 653 1 34 LEU HA 1 66 VAL MG1 . . 5.060 4.927 4.708 5.064 0.004 10 0 "[ . 1 . 2]" 1 654 1 34 LEU HB2 1 34 LEU MD1 . . 3.390 2.372 2.336 2.429 . 0 0 "[ . 1 . 2]" 1 655 1 34 LEU HB2 1 34 LEU MD2 . . 3.670 3.180 3.177 3.190 . 0 0 "[ . 1 . 2]" 1 656 1 34 LEU HB2 1 35 SER H . . 4.170 4.119 4.056 4.149 . 0 0 "[ . 1 . 2]" 1 657 1 34 LEU HB2 1 36 LEU MD2 . . 3.930 3.656 3.488 3.904 . 0 0 "[ . 1 . 2]" 1 658 1 34 LEU HB2 1 57 GLY H . . 5.500 4.559 4.426 4.699 . 0 0 "[ . 1 . 2]" 1 659 1 34 LEU HB2 1 63 LYS HA . . 5.390 5.023 4.773 5.237 . 0 0 "[ . 1 . 2]" 1 660 1 34 LEU HB2 1 64 GLY H . . 4.110 3.961 3.694 4.096 . 0 0 "[ . 1 . 2]" 1 661 1 34 LEU HB2 1 64 GLY HA2 . . 4.980 4.729 4.620 4.817 . 0 0 "[ . 1 . 2]" 1 662 1 34 LEU HB2 1 64 GLY HA3 . . 3.780 3.126 3.025 3.227 . 0 0 "[ . 1 . 2]" 1 663 1 34 LEU HB2 1 65 LYS H . . 5.050 4.196 3.944 4.609 . 0 0 "[ . 1 . 2]" 1 664 1 34 LEU HB2 1 66 VAL HA . . 5.040 4.665 4.461 4.923 . 0 0 "[ . 1 . 2]" 1 665 1 34 LEU HB3 1 34 LEU MD1 . . 3.440 2.324 2.257 2.369 . 0 0 "[ . 1 . 2]" 1 666 1 34 LEU HB3 1 34 LEU MD2 . . 3.460 2.349 2.313 2.381 . 0 0 "[ . 1 . 2]" 1 667 1 34 LEU HB3 1 35 SER H . . 3.370 2.864 2.764 2.915 . 0 0 "[ . 1 . 2]" 1 668 1 34 LEU HB3 1 64 GLY H . . 5.180 5.065 4.882 5.183 0.003 17 0 "[ . 1 . 2]" 1 669 1 34 LEU HB3 1 64 GLY HA3 . . 4.570 4.467 4.398 4.551 . 0 0 "[ . 1 . 2]" 1 670 1 34 LEU MD1 1 35 SER H . . 4.420 4.415 4.372 4.429 0.009 19 0 "[ . 1 . 2]" 1 671 1 34 LEU MD1 1 57 GLY H . . 4.880 3.738 3.598 3.893 . 0 0 "[ . 1 . 2]" 1 672 1 34 LEU MD1 1 58 GLU HA . . 3.850 2.814 2.681 2.944 . 0 0 "[ . 1 . 2]" 1 673 1 34 LEU MD1 1 58 GLU HB2 . . 5.500 4.644 4.481 4.865 . 0 0 "[ . 1 . 2]" 1 674 1 34 LEU MD1 1 58 GLU HB3 . . 5.500 5.174 5.045 5.304 . 0 0 "[ . 1 . 2]" 1 675 1 34 LEU MD1 1 59 ARG H . . 3.900 2.544 2.302 2.696 . 0 0 "[ . 1 . 2]" 1 676 1 34 LEU MD1 1 59 ARG HB3 . . 3.800 3.458 3.059 3.667 . 0 0 "[ . 1 . 2]" 1 677 1 34 LEU MD1 1 59 ARG HG2 . . 5.500 5.444 5.263 5.505 0.005 19 0 "[ . 1 . 2]" 1 678 1 34 LEU MD1 1 59 ARG HG3 . . 5.500 5.297 5.080 5.490 . 0 0 "[ . 1 . 2]" 1 679 1 34 LEU MD1 1 59 ARG QH1 . . 5.340 5.274 5.168 5.342 0.002 18 0 "[ . 1 . 2]" 1 680 1 34 LEU MD1 1 62 GLN HB2 . . 3.950 3.342 3.054 3.547 . 0 0 "[ . 1 . 2]" 1 681 1 34 LEU MD1 1 62 GLN QB . . 3.300 2.681 2.541 2.784 . 0 0 "[ . 1 . 2]" 1 682 1 34 LEU MD1 1 62 GLN HB3 . . 3.950 2.830 2.632 2.936 . 0 0 "[ . 1 . 2]" 1 683 1 34 LEU MD1 1 62 GLN HG2 . . 5.170 5.025 4.918 5.152 . 0 0 "[ . 1 . 2]" 1 684 1 34 LEU MD1 1 62 GLN HG3 . . 5.350 5.197 5.096 5.333 . 0 0 "[ . 1 . 2]" 1 685 1 34 LEU MD1 1 63 LYS H . . 4.300 2.920 2.727 3.306 . 0 0 "[ . 1 . 2]" 1 686 1 34 LEU MD1 1 63 LYS HA . . 3.650 1.962 1.867 2.060 . 0 0 "[ . 1 . 2]" 1 687 1 34 LEU MD1 1 64 GLY H . . 3.580 2.084 1.922 2.293 . 0 0 "[ . 1 . 2]" 1 688 1 34 LEU MD1 1 64 GLY HA2 . . 4.490 3.889 3.727 3.989 . 0 0 "[ . 1 . 2]" 1 689 1 34 LEU MD1 1 64 GLY HA3 . . 4.520 2.998 2.807 3.102 . 0 0 "[ . 1 . 2]" 1 690 1 34 LEU MD2 1 35 SER H . . 3.700 2.403 2.340 2.608 . 0 0 "[ . 1 . 2]" 1 691 1 34 LEU MD2 1 58 GLU HA . . 4.850 4.814 4.727 4.854 0.004 15 0 "[ . 1 . 2]" 1 692 1 34 LEU MD2 1 59 ARG H . . 3.910 3.842 3.656 3.915 0.005 12 0 "[ . 1 . 2]" 1 693 1 34 LEU MD2 1 59 ARG QH1 . . 5.210 4.736 4.496 5.119 . 0 0 "[ . 1 . 2]" 1 694 1 34 LEU MD2 1 62 GLN HB2 . . 3.960 2.669 2.488 2.964 . 0 0 "[ . 1 . 2]" 1 695 1 34 LEU MD2 1 62 GLN QB . . 3.300 1.937 1.856 2.168 . 0 0 "[ . 1 . 2]" 1 696 1 34 LEU MD2 1 62 GLN HB3 . . 3.960 1.993 1.915 2.292 . 0 0 "[ . 1 . 2]" 1 697 1 34 LEU MD2 1 62 GLN HG2 . . 4.360 3.999 3.631 4.284 . 0 0 "[ . 1 . 2]" 1 698 1 34 LEU MD2 1 62 GLN HG3 . . 4.770 4.184 4.075 4.284 . 0 0 "[ . 1 . 2]" 1 699 1 34 LEU MD2 1 63 LYS H . . 4.280 3.325 3.006 3.690 . 0 0 "[ . 1 . 2]" 1 700 1 34 LEU MD2 1 63 LYS HA . . 3.990 3.932 3.818 3.998 0.008 13 0 "[ . 1 . 2]" 1 701 1 34 LEU MD2 1 64 GLY H . . 4.410 4.398 4.344 4.421 0.011 17 0 "[ . 1 . 2]" 1 702 1 34 LEU MD2 1 64 GLY HA2 . . 4.840 4.834 4.806 4.852 0.012 5 0 "[ . 1 . 2]" 1 703 1 34 LEU MD2 1 64 GLY HA3 . . 3.900 3.648 3.618 3.685 . 0 0 "[ . 1 . 2]" 1 704 1 34 LEU HG 1 35 SER H . . 4.640 4.607 4.539 4.647 0.007 4 0 "[ . 1 . 2]" 1 705 1 34 LEU HG 1 64 GLY H . . 4.450 3.271 3.134 3.386 . 0 0 "[ . 1 . 2]" 1 706 1 34 LEU HG 1 64 GLY HA2 . . 3.930 3.538 3.493 3.583 . 0 0 "[ . 1 . 2]" 1 707 1 34 LEU HG 1 64 GLY HA3 . . 3.670 2.000 1.994 2.020 . 0 0 "[ . 1 . 2]" 1 708 1 34 LEU HG 1 65 LYS H . . 5.120 4.240 4.038 4.536 . 0 0 "[ . 1 . 2]" 1 709 1 35 SER H 1 35 SER HB2 . . 3.720 2.685 2.205 3.614 . 0 0 "[ . 1 . 2]" 1 710 1 35 SER H 1 35 SER QB . . 3.010 2.337 2.183 2.459 . 0 0 "[ . 1 . 2]" 1 711 1 35 SER H 1 35 SER HB3 . . 3.720 3.139 2.367 3.624 . 0 0 "[ . 1 . 2]" 1 712 1 35 SER H 1 36 LEU MD2 . . 4.890 4.324 3.929 4.580 . 0 0 "[ . 1 . 2]" 1 713 1 35 SER HA 1 36 LEU H . . 2.820 2.223 2.168 2.320 . 0 0 "[ . 1 . 2]" 1 714 1 35 SER HA 1 36 LEU QB . . 4.660 4.460 4.361 4.521 . 0 0 "[ . 1 . 2]" 1 715 1 35 SER HA 1 36 LEU MD2 . . 4.460 4.017 3.548 4.298 . 0 0 "[ . 1 . 2]" 1 716 1 35 SER HA 1 36 LEU HG . . 4.140 3.544 3.324 3.723 . 0 0 "[ . 1 . 2]" 1 717 1 35 SER QB 1 36 LEU H . . 3.360 3.041 2.824 3.373 0.013 14 0 "[ . 1 . 2]" 1 718 1 35 SER QB 1 36 LEU MD2 . . 4.740 4.562 4.383 4.745 0.005 5 0 "[ . 1 . 2]" 1 719 1 35 SER HB2 1 36 LEU MD2 . . 5.480 5.157 4.822 5.436 . 0 0 "[ . 1 . 2]" 1 720 1 35 SER HB3 1 36 LEU MD2 . . 5.480 5.122 4.689 5.470 . 0 0 "[ . 1 . 2]" 1 721 1 36 LEU H 1 36 LEU QB . . 3.490 2.681 2.584 2.824 . 0 0 "[ . 1 . 2]" 1 722 1 36 LEU H 1 36 LEU MD1 . . 4.880 4.026 3.849 4.194 . 0 0 "[ . 1 . 2]" 1 723 1 36 LEU H 1 36 LEU MD2 . . 3.910 3.536 3.226 3.807 . 0 0 "[ . 1 . 2]" 1 724 1 36 LEU H 1 36 LEU HG . . 3.690 2.775 2.643 3.008 . 0 0 "[ . 1 . 2]" 1 725 1 36 LEU HA 1 36 LEU MD1 . . 4.450 3.889 3.793 3.956 . 0 0 "[ . 1 . 2]" 1 726 1 36 LEU HA 1 36 LEU MD2 . . 2.850 2.172 1.991 2.410 . 0 0 "[ . 1 . 2]" 1 727 1 36 LEU HA 1 36 LEU HG . . 3.760 3.291 3.175 3.449 . 0 0 "[ . 1 . 2]" 1 728 1 36 LEU HA 1 37 LEU H . . 2.880 2.277 2.193 2.346 . 0 0 "[ . 1 . 2]" 1 729 1 36 LEU HA 1 37 LEU HG . . 4.300 4.123 3.969 4.292 . 0 0 "[ . 1 . 2]" 1 730 1 36 LEU HA 1 59 ARG HH11 . . 4.450 2.868 2.433 3.361 . 0 0 "[ . 1 . 2]" 1 731 1 36 LEU HA 1 59 ARG QH1 . . 3.870 2.737 2.205 3.211 . 0 0 "[ . 1 . 2]" 1 732 1 36 LEU HA 1 59 ARG HH12 . . 4.450 3.518 2.523 4.258 . 0 0 "[ . 1 . 2]" 1 733 1 36 LEU QB 1 36 LEU MD1 . . 3.090 2.088 2.058 2.100 . 0 0 "[ . 1 . 2]" 1 734 1 36 LEU QB 1 37 LEU H . . 3.480 2.702 2.510 2.952 . 0 0 "[ . 1 . 2]" 1 735 1 36 LEU MD1 1 66 VAL HA . . 4.090 3.081 2.909 3.283 . 0 0 "[ . 1 . 2]" 1 736 1 36 LEU MD1 1 66 VAL HB . . 3.380 2.124 1.970 2.432 . 0 0 "[ . 1 . 2]" 1 737 1 36 LEU MD1 1 67 PRO HD2 . . 3.420 2.028 1.865 2.240 . 0 0 "[ . 1 . 2]" 1 738 1 36 LEU MD1 1 67 PRO HD3 . . 3.930 3.457 3.115 3.714 . 0 0 "[ . 1 . 2]" 1 739 1 36 LEU MD1 1 70 TYR HB2 . . 3.380 2.975 2.653 3.185 . 0 0 "[ . 1 . 2]" 1 740 1 36 LEU MD1 1 70 TYR HB3 . . 4.040 3.161 2.816 3.343 . 0 0 "[ . 1 . 2]" 1 741 1 36 LEU MD1 1 70 TYR QD . . 4.610 3.901 3.424 4.130 . 0 0 "[ . 1 . 2]" 1 742 1 36 LEU MD1 1 70 TYR QE . . 5.500 5.310 4.876 5.501 0.001 3 0 "[ . 1 . 2]" 1 743 1 36 LEU MD1 1 71 LEU H . . 4.860 4.794 4.672 4.864 0.004 10 0 "[ . 1 . 2]" 1 744 1 36 LEU MD1 1 71 LEU MD2 . . 2.820 2.097 1.905 2.502 . 0 0 "[ . 1 . 2]" 1 745 1 36 LEU MD2 1 37 LEU H . . 3.880 3.664 3.488 3.882 0.002 16 0 "[ . 1 . 2]" 1 746 1 36 LEU MD2 1 59 ARG QD . . 4.660 3.637 3.215 4.050 . 0 0 "[ . 1 . 2]" 1 747 1 36 LEU MD2 1 59 ARG QH1 . . 4.150 3.573 3.218 3.947 . 0 0 "[ . 1 . 2]" 1 748 1 36 LEU MD2 1 66 VAL HA . . 4.710 3.855 3.424 4.155 . 0 0 "[ . 1 . 2]" 1 749 1 36 LEU HG 1 37 LEU H . . 5.400 5.102 5.001 5.197 . 0 0 "[ . 1 . 2]" 1 750 1 37 LEU H 1 37 LEU HB2 . . 3.270 2.415 2.304 2.520 . 0 0 "[ . 1 . 2]" 1 751 1 37 LEU H 1 37 LEU HB3 . . 3.710 3.626 3.550 3.688 . 0 0 "[ . 1 . 2]" 1 752 1 37 LEU H 1 37 LEU MD2 . . 4.190 4.147 3.994 4.198 0.008 14 0 "[ . 1 . 2]" 1 753 1 37 LEU H 1 37 LEU HG . . 3.450 3.312 2.978 3.458 0.008 9 0 "[ . 1 . 2]" 1 754 1 37 LEU H 1 40 GLU H . . 5.390 5.120 4.905 5.294 . 0 0 "[ . 1 . 2]" 1 755 1 37 LEU H 1 40 GLU HB2 . . 4.660 4.546 4.404 4.660 . 0 0 "[ . 1 . 2]" 1 756 1 37 LEU H 1 40 GLU HB3 . . 4.210 3.843 3.635 4.012 . 0 0 "[ . 1 . 2]" 1 757 1 37 LEU H 1 40 GLU HG2 . . 4.360 2.630 2.474 3.002 . 0 0 "[ . 1 . 2]" 1 758 1 37 LEU H 1 40 GLU HG3 . . 3.990 3.728 3.625 4.000 0.010 10 0 "[ . 1 . 2]" 1 759 1 37 LEU H 1 59 ARG QH1 . . 4.990 3.616 2.942 4.160 . 0 0 "[ . 1 . 2]" 1 760 1 37 LEU HA 1 37 LEU MD2 . . 2.840 2.082 1.986 2.268 . 0 0 "[ . 1 . 2]" 1 761 1 37 LEU HA 1 37 LEU HG . . 3.770 2.802 2.713 2.982 . 0 0 "[ . 1 . 2]" 1 762 1 37 LEU HA 1 38 ALA H . . 2.530 2.319 2.169 2.435 . 0 0 "[ . 1 . 2]" 1 763 1 37 LEU HA 1 38 ALA HA . . 4.420 4.326 4.318 4.342 . 0 0 "[ . 1 . 2]" 1 764 1 37 LEU HA 1 38 ALA MB . . 4.030 3.988 3.953 4.040 0.010 11 0 "[ . 1 . 2]" 1 765 1 37 LEU HB2 1 37 LEU MD1 . . 3.200 2.229 2.087 2.358 . 0 0 "[ . 1 . 2]" 1 766 1 37 LEU HB2 1 38 ALA H . . 4.290 3.950 3.756 4.273 . 0 0 "[ . 1 . 2]" 1 767 1 37 LEU HB2 1 40 GLU H . . 5.120 5.032 4.547 5.125 0.005 5 0 "[ . 1 . 2]" 1 768 1 37 LEU HB2 1 40 GLU HB2 . . 4.810 3.507 3.184 3.708 . 0 0 "[ . 1 . 2]" 1 769 1 37 LEU HB2 1 40 GLU HB3 . . 4.500 2.682 2.307 2.836 . 0 0 "[ . 1 . 2]" 1 770 1 37 LEU HB2 1 40 GLU HG2 . . 3.890 3.274 3.184 3.452 . 0 0 "[ . 1 . 2]" 1 771 1 37 LEU HB2 1 40 GLU HG3 . . 4.330 4.191 4.076 4.288 . 0 0 "[ . 1 . 2]" 1 772 1 37 LEU HB3 1 37 LEU MD1 . . 3.420 2.450 2.328 2.563 . 0 0 "[ . 1 . 2]" 1 773 1 37 LEU HB3 1 37 LEU MD2 . . 3.620 2.292 2.186 2.340 . 0 0 "[ . 1 . 2]" 1 774 1 37 LEU HB3 1 38 ALA H . . 3.560 2.671 2.381 3.198 . 0 0 "[ . 1 . 2]" 1 775 1 37 LEU HB3 1 40 GLU H . . 5.310 5.182 4.832 5.315 0.005 1 0 "[ . 1 . 2]" 1 776 1 37 LEU HB3 1 40 GLU HB2 . . 5.120 4.500 4.243 4.741 . 0 0 "[ . 1 . 2]" 1 777 1 37 LEU HB3 1 40 GLU HG2 . . 4.520 4.272 4.131 4.427 . 0 0 "[ . 1 . 2]" 1 778 1 37 LEU HB3 1 40 GLU HG3 . . 5.500 5.492 5.377 5.513 0.013 8 0 "[ . 1 . 2]" 1 779 1 37 LEU MD2 1 38 ALA H . . 3.650 2.912 2.651 3.106 . 0 0 "[ . 1 . 2]" 1 780 1 37 LEU HG 1 38 ALA H . . 5.170 4.649 4.457 4.882 . 0 0 "[ . 1 . 2]" 1 781 1 38 ALA H 1 38 ALA MB . . 2.590 2.074 2.033 2.127 . 0 0 "[ . 1 . 2]" 1 782 1 38 ALA HA 1 39 ASP H . . 2.500 2.160 2.147 2.183 . 0 0 "[ . 1 . 2]" 1 783 1 38 ALA HA 1 39 ASP HA . . 4.550 4.386 4.375 4.395 . 0 0 "[ . 1 . 2]" 1 784 1 38 ALA HA 1 40 GLU H . . 3.840 3.758 3.546 3.858 0.018 9 0 "[ . 1 . 2]" 1 785 1 38 ALA MB 1 39 ASP H . . 3.480 3.108 2.997 3.178 . 0 0 "[ . 1 . 2]" 1 786 1 38 ALA MB 1 39 ASP HA . . 4.650 4.481 4.434 4.531 . 0 0 "[ . 1 . 2]" 1 787 1 38 ALA MB 1 39 ASP HB2 . . 4.070 3.924 3.671 4.063 . 0 0 "[ . 1 . 2]" 1 788 1 38 ALA MB 1 39 ASP HB3 . . 4.990 4.801 4.777 4.826 . 0 0 "[ . 1 . 2]" 1 789 1 38 ALA MB 1 40 GLU H . . 4.920 4.793 4.608 4.876 . 0 0 "[ . 1 . 2]" 1 790 1 39 ASP H 1 39 ASP HA . . 2.630 2.284 2.276 2.286 . 0 0 "[ . 1 . 2]" 1 791 1 39 ASP H 1 39 ASP HB2 . . 4.010 3.766 3.619 3.815 . 0 0 "[ . 1 . 2]" 1 792 1 39 ASP H 1 39 ASP HB3 . . 4.130 4.046 4.025 4.070 . 0 0 "[ . 1 . 2]" 1 793 1 39 ASP H 1 40 GLU H . . 3.530 2.528 2.458 2.615 . 0 0 "[ . 1 . 2]" 1 794 1 39 ASP H 1 40 GLU HB3 . . 5.500 4.605 4.543 4.671 . 0 0 "[ . 1 . 2]" 1 795 1 39 ASP HB2 1 40 GLU H . . 4.450 4.210 4.080 4.262 . 0 0 "[ . 1 . 2]" 1 796 1 39 ASP HB2 1 40 GLU HA . . 5.060 4.711 4.585 4.792 . 0 0 "[ . 1 . 2]" 1 797 1 39 ASP HB3 1 40 GLU H . . 4.570 4.524 4.478 4.552 . 0 0 "[ . 1 . 2]" 1 798 1 39 ASP HB3 1 40 GLU HA . . 5.080 5.010 4.841 5.079 . 0 0 "[ . 1 . 2]" 1 799 1 40 GLU H 1 40 GLU HB2 . . 3.890 3.861 3.757 3.899 0.009 15 0 "[ . 1 . 2]" 1 800 1 40 GLU H 1 40 GLU HB3 . . 3.540 2.854 2.668 2.925 . 0 0 "[ . 1 . 2]" 1 801 1 40 GLU H 1 40 GLU HG2 . . 3.710 2.813 2.667 2.903 . 0 0 "[ . 1 . 2]" 1 802 1 40 GLU H 1 40 GLU HG3 . . 3.970 3.632 3.564 3.702 . 0 0 "[ . 1 . 2]" 1 803 1 40 GLU HA 1 40 GLU HB3 . . 3.020 2.650 2.636 2.668 . 0 0 "[ . 1 . 2]" 1 804 1 40 GLU HA 1 40 GLU HG2 . . 4.020 3.870 3.855 3.875 . 0 0 "[ . 1 . 2]" 1 805 1 40 GLU HA 1 40 GLU HG3 . . 3.740 3.511 3.488 3.529 . 0 0 "[ . 1 . 2]" 1 806 1 40 GLU HA 1 41 VAL H . . 2.700 2.230 2.158 2.592 . 0 0 "[ . 1 . 2]" 1 807 1 40 GLU HA 1 41 VAL HB . . 5.070 4.495 4.305 4.796 . 0 0 "[ . 1 . 2]" 1 808 1 40 GLU HA 1 41 VAL QG . . 3.750 3.656 3.396 3.762 0.012 7 0 "[ . 1 . 2]" 1 809 1 40 GLU HB2 1 41 VAL H . . 3.640 3.155 2.364 3.360 . 0 0 "[ . 1 . 2]" 1 810 1 40 GLU HB2 1 42 ILE MG . . 4.210 3.872 3.613 4.041 . 0 0 "[ . 1 . 2]" 1 811 1 40 GLU HB3 1 41 VAL H . . 4.480 4.268 3.750 4.392 . 0 0 "[ . 1 . 2]" 1 812 1 40 GLU HB3 1 42 ILE MG . . 4.970 4.827 4.613 4.935 . 0 0 "[ . 1 . 2]" 1 813 1 40 GLU HG2 1 41 VAL H . . 4.850 4.624 3.885 4.793 . 0 0 "[ . 1 . 2]" 1 814 1 40 GLU HG2 1 42 ILE MG . . 3.880 3.811 3.691 3.888 0.008 12 0 "[ . 1 . 2]" 1 815 1 40 GLU HG3 1 41 VAL H . . 4.490 3.431 2.441 3.661 . 0 0 "[ . 1 . 2]" 1 816 1 40 GLU HG3 1 42 ILE MG . . 4.080 2.498 2.299 2.619 . 0 0 "[ . 1 . 2]" 1 817 1 41 VAL H 1 41 VAL HB . . 3.330 2.655 2.423 3.272 . 0 0 "[ . 1 . 2]" 1 818 1 41 VAL H 1 41 VAL MG1 . . 4.130 3.388 1.872 3.827 . 0 0 "[ . 1 . 2]" 1 819 1 41 VAL H 1 41 VAL QG . . 3.050 2.640 1.867 3.084 0.034 6 0 "[ . 1 . 2]" 1 820 1 41 VAL H 1 41 VAL MG2 . . 4.130 3.090 2.748 3.781 . 0 0 "[ . 1 . 2]" 1 821 1 41 VAL H 1 42 ILE H . . 4.800 4.321 4.119 4.464 . 0 0 "[ . 1 . 2]" 1 822 1 41 VAL H 1 42 ILE MG . . 4.200 4.045 3.509 4.197 . 0 0 "[ . 1 . 2]" 1 823 1 41 VAL HA 1 41 VAL MG1 . . 3.190 2.608 2.405 3.181 . 0 0 "[ . 1 . 2]" 1 824 1 41 VAL HA 1 41 VAL QG . . 2.740 2.176 2.091 2.414 . 0 0 "[ . 1 . 2]" 1 825 1 41 VAL HA 1 41 VAL MG2 . . 3.190 2.347 2.281 2.504 . 0 0 "[ . 1 . 2]" 1 826 1 41 VAL HA 1 42 ILE H . . 2.590 2.145 2.140 2.166 . 0 0 "[ . 1 . 2]" 1 827 1 41 VAL HA 1 42 ILE HG12 . . 4.560 4.054 3.925 4.187 . 0 0 "[ . 1 . 2]" 1 828 1 41 VAL HA 1 42 ILE MG . . 4.020 3.850 3.687 3.966 . 0 0 "[ . 1 . 2]" 1 829 1 41 VAL HB 1 42 ILE H . . 4.410 4.305 4.137 4.415 0.005 7 0 "[ . 1 . 2]" 1 830 1 41 VAL QG 1 42 ILE H . . 3.070 2.628 2.242 2.944 . 0 0 "[ . 1 . 2]" 1 831 1 41 VAL QG 1 43 THR HA . . 4.960 4.545 4.484 4.646 . 0 0 "[ . 1 . 2]" 1 832 1 41 VAL MG1 1 42 ILE H . . 4.510 2.959 2.256 4.274 . 0 0 "[ . 1 . 2]" 1 833 1 41 VAL MG2 1 42 ILE H . . 4.510 3.694 2.631 4.062 . 0 0 "[ . 1 . 2]" 1 834 1 42 ILE H 1 42 ILE MD . . 4.040 3.929 3.854 4.037 . 0 0 "[ . 1 . 2]" 1 835 1 42 ILE H 1 42 ILE HG12 . . 3.300 2.429 2.288 2.694 . 0 0 "[ . 1 . 2]" 1 836 1 42 ILE H 1 42 ILE HG13 . . 3.430 2.694 2.569 2.792 . 0 0 "[ . 1 . 2]" 1 837 1 42 ILE H 1 42 ILE MG . . 3.440 2.910 2.803 3.045 . 0 0 "[ . 1 . 2]" 1 838 1 42 ILE H 1 43 THR H . . 4.620 4.452 4.426 4.481 . 0 0 "[ . 1 . 2]" 1 839 1 42 ILE HA 1 42 ILE HB . . 2.910 2.453 2.422 2.473 . 0 0 "[ . 1 . 2]" 1 840 1 42 ILE HA 1 42 ILE MD . . 4.220 4.146 4.118 4.162 . 0 0 "[ . 1 . 2]" 1 841 1 42 ILE HA 1 42 ILE HG13 . . 4.050 3.609 3.575 3.632 . 0 0 "[ . 1 . 2]" 1 842 1 42 ILE HA 1 42 ILE MG . . 2.840 2.255 2.209 2.315 . 0 0 "[ . 1 . 2]" 1 843 1 42 ILE HA 1 43 THR H . . 2.860 2.531 2.490 2.546 . 0 0 "[ . 1 . 2]" 1 844 1 42 ILE HA 1 43 THR HB . . 5.010 4.853 4.749 4.996 . 0 0 "[ . 1 . 2]" 1 845 1 42 ILE HA 1 58 GLU H . . 5.500 5.406 5.169 5.503 0.003 5 0 "[ . 1 . 2]" 1 846 1 42 ILE HA 1 59 ARG HA . . 5.500 5.297 4.995 5.506 0.006 17 0 "[ . 1 . 2]" 1 847 1 42 ILE HB 1 42 ILE MD . . 3.000 2.329 2.261 2.364 . 0 0 "[ . 1 . 2]" 1 848 1 42 ILE HB 1 43 THR H . . 2.790 2.120 2.081 2.198 . 0 0 "[ . 1 . 2]" 1 849 1 42 ILE HB 1 43 THR HB . . 4.900 4.273 4.186 4.388 . 0 0 "[ . 1 . 2]" 1 850 1 42 ILE HB 1 58 GLU H . . 4.140 3.303 3.116 3.424 . 0 0 "[ . 1 . 2]" 1 851 1 42 ILE MD 1 43 THR H . . 3.980 3.654 3.543 3.735 . 0 0 "[ . 1 . 2]" 1 852 1 42 ILE MD 1 43 THR HB . . 5.080 4.912 4.758 5.016 . 0 0 "[ . 1 . 2]" 1 853 1 42 ILE MD 1 44 VAL HA . . 4.570 4.102 3.813 4.273 . 0 0 "[ . 1 . 2]" 1 854 1 42 ILE MD 1 57 GLY HA2 . . 3.640 2.556 2.361 2.738 . 0 0 "[ . 1 . 2]" 1 855 1 42 ILE MD 1 57 GLY HA3 . . 3.290 2.364 2.137 2.485 . 0 0 "[ . 1 . 2]" 1 856 1 42 ILE MD 1 58 GLU H . . 3.590 2.658 2.334 2.926 . 0 0 "[ . 1 . 2]" 1 857 1 42 ILE MD 1 58 GLU HB2 . . 5.500 5.336 5.123 5.502 0.002 11 0 "[ . 1 . 2]" 1 858 1 42 ILE MD 1 58 GLU HB3 . . 5.500 4.970 4.716 5.182 . 0 0 "[ . 1 . 2]" 1 859 1 42 ILE MD 1 59 ARG HG2 . . 5.500 5.438 5.067 5.509 0.009 3 0 "[ . 1 . 2]" 1 860 1 42 ILE MD 1 59 ARG HG3 . . 5.500 4.187 3.964 4.348 . 0 0 "[ . 1 . 2]" 1 861 1 42 ILE HG12 1 43 THR H . . 4.680 4.556 4.471 4.656 . 0 0 "[ . 1 . 2]" 1 862 1 42 ILE HG13 1 43 THR H . . 3.740 3.445 3.297 3.576 . 0 0 "[ . 1 . 2]" 1 863 1 42 ILE HG13 1 43 THR HA . . 4.680 4.299 4.166 4.382 . 0 0 "[ . 1 . 2]" 1 864 1 42 ILE HG13 1 44 VAL MG1 . . 3.240 2.409 2.245 2.511 . 0 0 "[ . 1 . 2]" 1 865 1 42 ILE HG13 1 58 GLU H . . 4.890 4.194 3.847 4.495 . 0 0 "[ . 1 . 2]" 1 866 1 42 ILE MG 1 43 THR H . . 3.690 3.592 3.542 3.643 . 0 0 "[ . 1 . 2]" 1 867 1 42 ILE MG 1 58 GLU H . . 4.810 4.523 4.403 4.671 . 0 0 "[ . 1 . 2]" 1 868 1 42 ILE MG 1 59 ARG HA . . 3.920 3.593 3.216 3.896 . 0 0 "[ . 1 . 2]" 1 869 1 42 ILE MG 1 59 ARG HB2 . . 3.420 2.981 2.221 3.415 . 0 0 "[ . 1 . 2]" 1 870 1 42 ILE MG 1 59 ARG HB3 . . 4.650 4.269 3.522 4.651 0.001 5 0 "[ . 1 . 2]" 1 871 1 42 ILE MG 1 59 ARG HD2 . . 3.870 3.087 2.421 3.556 . 0 0 "[ . 1 . 2]" 1 872 1 42 ILE MG 1 59 ARG HD3 . . 3.870 3.125 2.521 3.873 0.003 18 0 "[ . 1 . 2]" 1 873 1 42 ILE MG 1 59 ARG HE . . 5.150 4.908 4.020 5.154 0.004 19 0 "[ . 1 . 2]" 1 874 1 42 ILE MG 1 59 ARG HG2 . . 4.170 3.859 3.480 4.132 . 0 0 "[ . 1 . 2]" 1 875 1 42 ILE MG 1 59 ARG QG . . 3.340 2.351 1.975 2.678 . 0 0 "[ . 1 . 2]" 1 876 1 42 ILE MG 1 59 ARG HG3 . . 4.170 2.372 1.985 2.716 . 0 0 "[ . 1 . 2]" 1 877 1 43 THR H 1 43 THR HB . . 3.060 2.438 2.380 2.565 . 0 0 "[ . 1 . 2]" 1 878 1 43 THR H 1 43 THR MG . . 3.820 3.761 3.735 3.798 . 0 0 "[ . 1 . 2]" 1 879 1 43 THR H 1 44 VAL H . . 4.620 4.445 4.373 4.524 . 0 0 "[ . 1 . 2]" 1 880 1 43 THR H 1 44 VAL MG1 . . 4.810 4.303 4.201 4.418 . 0 0 "[ . 1 . 2]" 1 881 1 43 THR H 1 58 GLU H . . 3.650 3.356 3.096 3.515 . 0 0 "[ . 1 . 2]" 1 882 1 43 THR H 1 58 GLU HB2 . . 5.500 5.280 4.924 5.504 0.004 13 0 "[ . 1 . 2]" 1 883 1 43 THR H 1 58 GLU HB3 . . 5.120 3.862 3.557 4.042 . 0 0 "[ . 1 . 2]" 1 884 1 43 THR HA 1 43 THR MG . . 3.090 2.419 2.381 2.456 . 0 0 "[ . 1 . 2]" 1 885 1 43 THR HA 1 44 VAL H . . 2.690 2.144 2.141 2.162 . 0 0 "[ . 1 . 2]" 1 886 1 43 THR HA 1 44 VAL HA . . 4.620 4.398 4.396 4.407 . 0 0 "[ . 1 . 2]" 1 887 1 43 THR HA 1 44 VAL MG1 . . 4.010 3.831 3.639 4.002 . 0 0 "[ . 1 . 2]" 1 888 1 43 THR HA 1 44 VAL MG2 . . 4.000 3.828 3.741 3.932 . 0 0 "[ . 1 . 2]" 1 889 1 43 THR HB 1 44 VAL H . . 4.440 4.314 4.204 4.406 . 0 0 "[ . 1 . 2]" 1 890 1 43 THR HB 1 58 GLU H . . 3.940 3.430 3.184 3.720 . 0 0 "[ . 1 . 2]" 1 891 1 43 THR HB 1 58 GLU HB2 . . 4.180 3.791 3.449 4.121 . 0 0 "[ . 1 . 2]" 1 892 1 43 THR HB 1 58 GLU HB3 . . 3.320 2.438 2.290 2.562 . 0 0 "[ . 1 . 2]" 1 893 1 43 THR HB 1 58 GLU HG2 . . 4.650 4.588 4.470 4.651 0.001 17 0 "[ . 1 . 2]" 1 894 1 43 THR HB 1 58 GLU HG3 . . 5.500 5.396 5.168 5.501 0.001 4 0 "[ . 1 . 2]" 1 895 1 43 THR MG 1 44 VAL H . . 3.130 2.582 2.292 2.770 . 0 0 "[ . 1 . 2]" 1 896 1 43 THR MG 1 44 VAL HA . . 4.240 3.631 3.437 3.748 . 0 0 "[ . 1 . 2]" 1 897 1 43 THR MG 1 44 VAL MG2 . . 4.120 3.964 3.885 4.044 . 0 0 "[ . 1 . 2]" 1 898 1 43 THR MG 1 45 PHE HB3 . . 5.350 3.758 3.652 3.860 . 0 0 "[ . 1 . 2]" 1 899 1 43 THR MG 1 45 PHE QD . . 3.540 2.665 2.435 2.918 . 0 0 "[ . 1 . 2]" 1 900 1 43 THR MG 1 45 PHE QE . . 3.830 3.097 2.632 3.675 . 0 0 "[ . 1 . 2]" 1 901 1 43 THR MG 1 45 PHE HZ . . 5.430 4.823 4.440 5.314 . 0 0 "[ . 1 . 2]" 1 902 1 43 THR MG 1 58 GLU H . . 5.300 4.162 3.857 4.463 . 0 0 "[ . 1 . 2]" 1 903 1 43 THR MG 1 58 GLU HB2 . . 4.520 3.776 3.527 4.226 . 0 0 "[ . 1 . 2]" 1 904 1 43 THR MG 1 58 GLU HB3 . . 4.540 3.276 3.066 3.528 . 0 0 "[ . 1 . 2]" 1 905 1 43 THR MG 1 58 GLU HG2 . . 5.500 5.186 4.986 5.453 . 0 0 "[ . 1 . 2]" 1 906 1 43 THR MG 1 58 GLU HG3 . . 5.500 5.482 5.315 5.507 0.007 8 0 "[ . 1 . 2]" 1 907 1 44 VAL H 1 44 VAL HB . . 4.100 3.772 3.725 3.831 . 0 0 "[ . 1 . 2]" 1 908 1 44 VAL H 1 44 VAL MG1 . . 3.450 2.873 2.670 3.062 . 0 0 "[ . 1 . 2]" 1 909 1 44 VAL H 1 44 VAL MG2 . . 2.940 2.133 1.981 2.247 . 0 0 "[ . 1 . 2]" 1 910 1 44 VAL H 1 45 PHE HA . . 5.300 5.124 5.039 5.209 . 0 0 "[ . 1 . 2]" 1 911 1 44 VAL H 1 45 PHE QD . . 4.980 3.821 3.720 3.984 . 0 0 "[ . 1 . 2]" 1 912 1 44 VAL HA 1 44 VAL MG1 . . 2.940 2.324 2.180 2.406 . 0 0 "[ . 1 . 2]" 1 913 1 44 VAL HA 1 44 VAL MG2 . . 3.650 3.187 3.185 3.190 . 0 0 "[ . 1 . 2]" 1 914 1 44 VAL HA 1 45 PHE H . . 2.750 2.235 2.195 2.297 . 0 0 "[ . 1 . 2]" 1 915 1 44 VAL HA 1 45 PHE QD . . 4.070 2.582 2.493 2.714 . 0 0 "[ . 1 . 2]" 1 916 1 44 VAL HA 1 45 PHE QE . . 5.080 3.696 3.598 3.819 . 0 0 "[ . 1 . 2]" 1 917 1 44 VAL HA 1 55 LEU HB2 . . 5.260 4.924 4.809 5.069 . 0 0 "[ . 1 . 2]" 1 918 1 44 VAL HA 1 55 LEU HB3 . . 4.650 3.691 3.541 3.820 . 0 0 "[ . 1 . 2]" 1 919 1 44 VAL HA 1 55 LEU MD1 . . 5.130 4.452 4.315 4.687 . 0 0 "[ . 1 . 2]" 1 920 1 44 VAL HA 1 56 MET H . . 4.830 4.137 4.018 4.457 . 0 0 "[ . 1 . 2]" 1 921 1 44 VAL HA 1 57 GLY H . . 4.850 4.544 4.472 4.649 . 0 0 "[ . 1 . 2]" 1 922 1 44 VAL HA 1 57 GLY HA2 . . 3.060 2.588 2.500 2.663 . 0 0 "[ . 1 . 2]" 1 923 1 44 VAL HA 1 57 GLY HA3 . . 4.300 4.155 4.000 4.286 . 0 0 "[ . 1 . 2]" 1 924 1 44 VAL HA 1 58 GLU H . . 4.220 4.071 3.939 4.221 0.001 20 0 "[ . 1 . 2]" 1 925 1 44 VAL HA 1 66 VAL MG2 . . 4.800 3.779 3.645 3.971 . 0 0 "[ . 1 . 2]" 1 926 1 44 VAL HB 1 45 PHE H . . 3.100 2.850 2.658 2.999 . 0 0 "[ . 1 . 2]" 1 927 1 44 VAL HB 1 45 PHE HA . . 4.690 4.275 4.212 4.332 . 0 0 "[ . 1 . 2]" 1 928 1 44 VAL HB 1 55 LEU HB2 . . 3.800 3.170 2.995 3.300 . 0 0 "[ . 1 . 2]" 1 929 1 44 VAL HB 1 55 LEU HB3 . . 3.560 2.319 2.107 2.420 . 0 0 "[ . 1 . 2]" 1 930 1 44 VAL HB 1 55 LEU MD1 . . 3.350 2.335 2.086 2.643 . 0 0 "[ . 1 . 2]" 1 931 1 44 VAL HB 1 55 LEU MD2 . . 3.810 3.163 2.935 3.385 . 0 0 "[ . 1 . 2]" 1 932 1 44 VAL HB 1 56 MET H . . 4.780 3.994 3.816 4.263 . 0 0 "[ . 1 . 2]" 1 933 1 44 VAL HB 1 57 GLY HA2 . . 4.780 4.401 4.252 4.566 . 0 0 "[ . 1 . 2]" 1 934 1 44 VAL HB 1 57 GLY HA3 . . 5.500 5.434 5.313 5.501 0.001 10 0 "[ . 1 . 2]" 1 935 1 44 VAL HB 1 71 LEU MD1 . . 4.590 3.690 3.549 3.868 . 0 0 "[ . 1 . 2]" 1 936 1 44 VAL MG1 1 45 PHE H . . 3.940 3.826 3.744 3.880 . 0 0 "[ . 1 . 2]" 1 937 1 44 VAL MG1 1 45 PHE HA . . 5.460 5.404 5.382 5.426 . 0 0 "[ . 1 . 2]" 1 938 1 44 VAL MG1 1 56 MET H . . 5.020 4.728 4.528 5.002 . 0 0 "[ . 1 . 2]" 1 939 1 44 VAL MG1 1 57 GLY HA2 . . 3.050 2.830 2.464 3.026 . 0 0 "[ . 1 . 2]" 1 940 1 44 VAL MG1 1 57 GLY HA3 . . 3.610 3.526 3.290 3.614 0.004 19 0 "[ . 1 . 2]" 1 941 1 44 VAL MG1 1 58 GLU H . . 4.300 4.017 3.821 4.237 . 0 0 "[ . 1 . 2]" 1 942 1 44 VAL MG2 1 45 PHE H . . 3.900 3.780 3.605 3.891 . 0 0 "[ . 1 . 2]" 1 943 1 44 VAL MG2 1 45 PHE HA . . 4.110 3.834 3.694 3.943 . 0 0 "[ . 1 . 2]" 1 944 1 44 VAL MG2 1 55 LEU HB3 . . 4.120 3.794 3.614 3.920 . 0 0 "[ . 1 . 2]" 1 945 1 44 VAL MG2 1 73 LEU HA . . 4.670 4.345 4.014 4.567 . 0 0 "[ . 1 . 2]" 1 946 1 44 VAL MG2 1 73 LEU MD1 . . 3.780 3.686 3.562 3.782 0.002 5 0 "[ . 1 . 2]" 1 947 1 44 VAL MG2 1 73 LEU HG . . 5.290 4.819 4.627 5.006 . 0 0 "[ . 1 . 2]" 1 948 1 45 PHE H 1 45 PHE HB2 . . 4.010 3.892 3.826 3.967 . 0 0 "[ . 1 . 2]" 1 949 1 45 PHE H 1 45 PHE HB3 . . 4.020 3.561 3.536 3.581 . 0 0 "[ . 1 . 2]" 1 950 1 45 PHE H 1 45 PHE QD . . 3.610 2.464 2.356 2.634 . 0 0 "[ . 1 . 2]" 1 951 1 45 PHE H 1 45 PHE QE . . 4.690 3.996 3.879 4.144 . 0 0 "[ . 1 . 2]" 1 952 1 45 PHE H 1 55 LEU HB2 . . 4.710 4.559 4.402 4.711 0.001 12 0 "[ . 1 . 2]" 1 953 1 45 PHE H 1 55 LEU HB3 . . 3.910 2.849 2.689 3.004 . 0 0 "[ . 1 . 2]" 1 954 1 45 PHE H 1 55 LEU MD1 . . 4.560 4.069 3.832 4.217 . 0 0 "[ . 1 . 2]" 1 955 1 45 PHE H 1 55 LEU MD2 . . 4.380 2.972 2.701 3.325 . 0 0 "[ . 1 . 2]" 1 956 1 45 PHE H 1 56 MET H . . 3.470 2.438 2.275 2.669 . 0 0 "[ . 1 . 2]" 1 957 1 45 PHE H 1 56 MET HB2 . . 4.210 3.684 3.628 3.770 . 0 0 "[ . 1 . 2]" 1 958 1 45 PHE H 1 56 MET HB3 . . 4.020 2.813 2.691 2.949 . 0 0 "[ . 1 . 2]" 1 959 1 45 PHE H 1 57 GLY HA2 . . 4.160 4.116 3.969 4.171 0.011 10 0 "[ . 1 . 2]" 1 960 1 45 PHE HA 1 45 PHE HB2 . . 2.980 2.557 2.517 2.596 . 0 0 "[ . 1 . 2]" 1 961 1 45 PHE HA 1 45 PHE HB3 . . 2.950 2.363 2.332 2.395 . 0 0 "[ . 1 . 2]" 1 962 1 45 PHE HA 1 45 PHE QD . . 3.850 3.574 3.531 3.630 . 0 0 "[ . 1 . 2]" 1 963 1 45 PHE HA 1 46 SER H . . 2.840 2.235 2.203 2.279 . 0 0 "[ . 1 . 2]" 1 964 1 45 PHE HA 1 46 SER QB . . 4.610 4.419 4.045 4.616 0.006 6 0 "[ . 1 . 2]" 1 965 1 45 PHE HA 1 55 LEU MD2 . . 4.350 2.899 2.713 3.219 . 0 0 "[ . 1 . 2]" 1 966 1 45 PHE HB2 1 46 SER H . . 3.340 2.907 2.773 3.024 . 0 0 "[ . 1 . 2]" 1 967 1 45 PHE HB2 1 47 VAL QG . . 4.660 3.925 3.757 4.070 . 0 0 "[ . 1 . 2]" 1 968 1 45 PHE HB2 1 56 MET HB2 . . 4.830 4.642 4.502 4.757 . 0 0 "[ . 1 . 2]" 1 969 1 45 PHE HB2 1 56 MET HB3 . . 4.680 4.011 3.782 4.139 . 0 0 "[ . 1 . 2]" 1 970 1 45 PHE HB3 1 46 SER H . . 4.010 3.872 3.754 3.961 . 0 0 "[ . 1 . 2]" 1 971 1 45 PHE HB3 1 56 MET HB2 . . 5.500 5.509 5.481 5.526 0.026 11 0 "[ . 1 . 2]" 1 972 1 45 PHE HB3 1 56 MET HB3 . . 5.150 4.409 4.338 4.471 . 0 0 "[ . 1 . 2]" 1 973 1 45 PHE QD 1 46 SER H . . 4.480 4.371 4.235 4.469 . 0 0 "[ . 1 . 2]" 1 974 1 45 PHE QD 1 46 SER HA . . 5.290 5.111 4.944 5.215 . 0 0 "[ . 1 . 2]" 1 975 1 45 PHE QD 1 47 VAL HA . . 5.160 4.839 4.578 5.110 . 0 0 "[ . 1 . 2]" 1 976 1 45 PHE QD 1 47 VAL MG1 . . 4.670 4.613 4.423 4.679 0.009 5 0 "[ . 1 . 2]" 1 977 1 45 PHE QD 1 47 VAL QG . . 3.450 2.739 2.589 2.882 . 0 0 "[ . 1 . 2]" 1 978 1 45 PHE QD 1 47 VAL MG2 . . 4.670 2.760 2.604 2.911 . 0 0 "[ . 1 . 2]" 1 979 1 45 PHE QD 1 56 MET HB2 . . 4.840 3.653 3.543 3.740 . 0 0 "[ . 1 . 2]" 1 980 1 45 PHE QD 1 56 MET HB3 . . 4.800 2.879 2.789 2.930 . 0 0 "[ . 1 . 2]" 1 981 1 45 PHE QD 1 56 MET ME . . 5.500 5.420 5.238 5.522 0.022 11 0 "[ . 1 . 2]" 1 982 1 45 PHE QD 1 56 MET HG2 . . 5.010 3.985 3.175 4.856 . 0 0 "[ . 1 . 2]" 1 983 1 45 PHE QD 1 56 MET QG . . 4.400 3.377 3.078 3.591 . 0 0 "[ . 1 . 2]" 1 984 1 45 PHE QD 1 56 MET HG3 . . 5.010 3.988 3.489 4.380 . 0 0 "[ . 1 . 2]" 1 985 1 45 PHE QD 1 57 GLY H . . 5.500 5.485 5.381 5.526 0.026 15 0 "[ . 1 . 2]" 1 986 1 45 PHE QD 1 58 GLU HB2 . . 5.060 4.610 4.422 4.828 . 0 0 "[ . 1 . 2]" 1 987 1 45 PHE QE 1 47 VAL MG1 . . 4.960 4.548 4.225 4.888 . 0 0 "[ . 1 . 2]" 1 988 1 45 PHE QE 1 47 VAL QG . . 3.470 3.049 2.714 3.321 . 0 0 "[ . 1 . 2]" 1 989 1 45 PHE QE 1 47 VAL MG2 . . 4.960 3.099 2.747 3.380 . 0 0 "[ . 1 . 2]" 1 990 1 45 PHE QE 1 56 MET HB2 . . 4.420 3.841 3.685 3.947 . 0 0 "[ . 1 . 2]" 1 991 1 45 PHE QE 1 56 MET HB3 . . 4.500 2.925 2.843 3.020 . 0 0 "[ . 1 . 2]" 1 992 1 45 PHE QE 1 56 MET ME . . 4.360 4.086 3.798 4.308 . 0 0 "[ . 1 . 2]" 1 993 1 45 PHE QE 1 56 MET HG2 . . 4.100 2.822 2.030 3.875 . 0 0 "[ . 1 . 2]" 1 994 1 45 PHE QE 1 56 MET QG . . 3.420 2.142 1.990 2.286 . 0 0 "[ . 1 . 2]" 1 995 1 45 PHE QE 1 56 MET HG3 . . 4.100 2.688 2.187 3.106 . 0 0 "[ . 1 . 2]" 1 996 1 45 PHE QE 1 57 GLY H . . 5.500 4.646 4.529 4.708 . 0 0 "[ . 1 . 2]" 1 997 1 45 PHE QE 1 58 GLU H . . 4.900 3.529 2.928 3.850 . 0 0 "[ . 1 . 2]" 1 998 1 45 PHE QE 1 58 GLU HB2 . . 4.340 2.400 2.178 2.571 . 0 0 "[ . 1 . 2]" 1 999 1 45 PHE QE 1 58 GLU HB3 . . 4.290 3.386 2.941 3.717 . 0 0 "[ . 1 . 2]" 1 1000 1 45 PHE QE 1 58 GLU HG2 . . 5.500 5.271 5.066 5.505 0.005 10 0 "[ . 1 . 2]" 1 1001 1 45 PHE QE 1 58 GLU HG3 . . 5.220 4.663 4.350 4.833 . 0 0 "[ . 1 . 2]" 1 1002 1 45 PHE QE 1 63 LYS QD . . 5.080 3.896 2.900 4.956 . 0 0 "[ . 1 . 2]" 1 1003 1 45 PHE QE 1 63 LYS QG . . 5.060 4.185 3.551 4.564 . 0 0 "[ . 1 . 2]" 1 1004 1 45 PHE HZ 1 47 VAL QG . . 5.230 4.513 4.216 4.886 . 0 0 "[ . 1 . 2]" 1 1005 1 45 PHE HZ 1 56 MET HB2 . . 5.500 4.627 4.408 4.890 . 0 0 "[ . 1 . 2]" 1 1006 1 45 PHE HZ 1 56 MET HB3 . . 5.100 3.321 3.196 3.527 . 0 0 "[ . 1 . 2]" 1 1007 1 45 PHE HZ 1 56 MET ME . . 4.720 3.736 3.436 4.131 . 0 0 "[ . 1 . 2]" 1 1008 1 45 PHE HZ 1 56 MET HG2 . . 4.620 3.414 2.560 4.316 . 0 0 "[ . 1 . 2]" 1 1009 1 45 PHE HZ 1 56 MET QG . . 4.060 2.455 2.139 2.794 . 0 0 "[ . 1 . 2]" 1 1010 1 45 PHE HZ 1 56 MET HG3 . . 4.620 2.541 2.249 2.829 . 0 0 "[ . 1 . 2]" 1 1011 1 45 PHE HZ 1 57 GLY H . . 5.500 5.421 5.182 5.504 0.004 10 0 "[ . 1 . 2]" 1 1012 1 45 PHE HZ 1 58 GLU HB2 . . 5.500 3.260 2.830 3.705 . 0 0 "[ . 1 . 2]" 1 1013 1 45 PHE HZ 1 58 GLU HG3 . . 5.500 4.686 4.195 5.025 . 0 0 "[ . 1 . 2]" 1 1014 1 45 PHE HZ 1 63 LYS HD2 . . 4.830 3.207 2.015 4.781 . 0 0 "[ . 1 . 2]" 1 1015 1 45 PHE HZ 1 63 LYS QD . . 4.200 2.927 1.862 4.192 . 0 0 "[ . 1 . 2]" 1 1016 1 45 PHE HZ 1 63 LYS HD3 . . 4.830 3.525 2.047 4.793 . 0 0 "[ . 1 . 2]" 1 1017 1 45 PHE HZ 1 63 LYS QE . . 4.110 2.812 1.898 4.091 . 0 0 "[ . 1 . 2]" 1 1018 1 45 PHE HZ 1 63 LYS QG . . 4.580 3.529 2.347 4.069 . 0 0 "[ . 1 . 2]" 1 1019 1 46 SER H 1 46 SER QB . . 3.240 2.521 2.170 2.752 . 0 0 "[ . 1 . 2]" 1 1020 1 46 SER H 1 55 LEU MD2 . . 4.310 2.861 2.663 3.100 . 0 0 "[ . 1 . 2]" 1 1021 1 46 SER HA 1 47 VAL H . . 2.680 2.285 2.189 2.407 . 0 0 "[ . 1 . 2]" 1 1022 1 46 SER HA 1 47 VAL HB . . 5.060 4.667 4.540 4.772 . 0 0 "[ . 1 . 2]" 1 1023 1 46 SER HA 1 47 VAL QG . . 4.060 3.258 3.022 3.483 . 0 0 "[ . 1 . 2]" 1 1024 1 46 SER HA 1 50 MET ME . . 4.460 4.066 3.753 4.353 . 0 0 "[ . 1 . 2]" 1 1025 1 46 SER HA 1 55 LEU MD1 . . 5.130 4.834 4.723 4.994 . 0 0 "[ . 1 . 2]" 1 1026 1 46 SER HA 1 55 LEU MD2 . . 3.060 2.108 1.961 2.227 . 0 0 "[ . 1 . 2]" 1 1027 1 46 SER HA 1 56 MET H . . 4.050 3.334 3.229 3.424 . 0 0 "[ . 1 . 2]" 1 1028 1 46 SER QB 1 47 VAL H . . 3.310 2.831 2.395 3.323 0.013 10 0 "[ . 1 . 2]" 1 1029 1 46 SER QB 1 47 VAL HA . . 4.640 4.183 3.934 4.637 . 0 0 "[ . 1 . 2]" 1 1030 1 46 SER QB 1 47 VAL QG . . 4.590 4.141 3.893 4.356 . 0 0 "[ . 1 . 2]" 1 1031 1 46 SER QB 1 50 MET ME . . 5.500 5.317 4.964 5.501 0.001 2 0 "[ . 1 . 2]" 1 1032 1 46 SER QB 1 55 LEU MD2 . . 3.190 2.742 2.144 3.164 . 0 0 "[ . 1 . 2]" 1 1033 1 47 VAL H 1 47 VAL HB . . 3.340 2.871 2.705 3.040 . 0 0 "[ . 1 . 2]" 1 1034 1 47 VAL H 1 47 VAL MG1 . . 4.030 3.943 3.880 4.004 . 0 0 "[ . 1 . 2]" 1 1035 1 47 VAL H 1 47 VAL QG . . 3.160 2.706 2.511 2.910 . 0 0 "[ . 1 . 2]" 1 1036 1 47 VAL H 1 47 VAL MG2 . . 4.030 2.757 2.543 2.990 . 0 0 "[ . 1 . 2]" 1 1037 1 47 VAL H 1 50 MET HB2 . . 4.320 3.040 2.532 3.406 . 0 0 "[ . 1 . 2]" 1 1038 1 47 VAL H 1 50 MET QB . . 3.460 2.342 2.069 2.646 . 0 0 "[ . 1 . 2]" 1 1039 1 47 VAL H 1 50 MET HB3 . . 4.320 2.443 2.110 2.758 . 0 0 "[ . 1 . 2]" 1 1040 1 47 VAL H 1 50 MET ME . . 4.230 3.783 3.285 4.205 . 0 0 "[ . 1 . 2]" 1 1041 1 47 VAL H 1 50 MET QG . . 5.270 3.312 2.596 4.016 . 0 0 "[ . 1 . 2]" 1 1042 1 47 VAL H 1 55 LEU MD2 . . 4.000 3.955 3.884 4.003 0.003 1 0 "[ . 1 . 2]" 1 1043 1 47 VAL HA 1 47 VAL MG1 . . 3.060 2.341 2.199 2.403 . 0 0 "[ . 1 . 2]" 1 1044 1 47 VAL HA 1 47 VAL MG2 . . 3.060 2.453 2.379 2.554 . 0 0 "[ . 1 . 2]" 1 1045 1 47 VAL HA 1 48 VAL H . . 2.740 2.200 2.151 2.248 . 0 0 "[ . 1 . 2]" 1 1046 1 47 VAL HA 1 48 VAL HA . . 5.030 4.323 4.308 4.352 . 0 0 "[ . 1 . 2]" 1 1047 1 47 VAL HA 1 48 VAL HB . . 5.010 4.581 4.497 4.633 . 0 0 "[ . 1 . 2]" 1 1048 1 47 VAL HA 1 48 VAL MG1 . . 5.500 5.490 5.451 5.517 0.017 8 0 "[ . 1 . 2]" 1 1049 1 47 VAL HA 1 48 VAL MG2 . . 4.000 3.938 3.882 3.981 . 0 0 "[ . 1 . 2]" 1 1050 1 47 VAL HB 1 48 VAL H . . 4.280 3.920 3.790 4.093 . 0 0 "[ . 1 . 2]" 1 1051 1 47 VAL HB 1 50 MET QB . . 3.930 2.474 2.065 2.813 . 0 0 "[ . 1 . 2]" 1 1052 1 47 VAL HB 1 50 MET QG . . 4.810 4.067 3.586 4.490 . 0 0 "[ . 1 . 2]" 1 1053 1 47 VAL HB 1 56 MET HB2 . . 4.460 4.101 3.777 4.445 . 0 0 "[ . 1 . 2]" 1 1054 1 47 VAL QG 1 48 VAL H . . 3.390 2.105 1.962 2.454 . 0 0 "[ . 1 . 2]" 1 1055 1 47 VAL QG 1 48 VAL HA . . 4.690 4.046 3.925 4.249 . 0 0 "[ . 1 . 2]" 1 1056 1 47 VAL QG 1 50 MET H . . 4.910 4.300 3.792 4.837 . 0 0 "[ . 1 . 2]" 1 1057 1 47 VAL QG 1 50 MET QB . . 3.550 3.221 2.955 3.445 . 0 0 "[ . 1 . 2]" 1 1058 1 47 VAL QG 1 50 MET ME . . 2.900 2.777 2.483 2.903 0.003 9 0 "[ . 1 . 2]" 1 1059 1 47 VAL QG 1 50 MET QG . . 4.930 3.968 3.328 4.552 . 0 0 "[ . 1 . 2]" 1 1060 1 47 VAL QG 1 55 LEU HA . . 4.990 4.627 4.335 4.880 . 0 0 "[ . 1 . 2]" 1 1061 1 47 VAL QG 1 56 MET H . . 4.140 3.653 3.405 3.928 . 0 0 "[ . 1 . 2]" 1 1062 1 47 VAL QG 1 56 MET HA . . 5.190 3.931 3.680 4.074 . 0 0 "[ . 1 . 2]" 1 1063 1 47 VAL QG 1 56 MET QG . . 3.190 2.246 1.922 2.506 . 0 0 "[ . 1 . 2]" 1 1064 1 47 VAL MG1 1 48 VAL H . . 4.290 2.113 1.966 2.472 . 0 0 "[ . 1 . 2]" 1 1065 1 47 VAL MG1 1 50 MET HB2 . . 4.710 3.888 3.497 4.039 . 0 0 "[ . 1 . 2]" 1 1066 1 47 VAL MG1 1 50 MET HB3 . . 4.710 4.684 4.546 4.721 0.011 5 0 "[ . 1 . 2]" 1 1067 1 47 VAL MG2 1 48 VAL H . . 4.290 4.053 3.964 4.192 . 0 0 "[ . 1 . 2]" 1 1068 1 47 VAL MG2 1 50 MET HB2 . . 4.710 3.783 3.328 4.230 . 0 0 "[ . 1 . 2]" 1 1069 1 47 VAL MG2 1 50 MET HB3 . . 4.710 4.322 3.764 4.689 . 0 0 "[ . 1 . 2]" 1 1070 1 48 VAL H 1 48 VAL HB . . 3.010 2.458 2.398 2.535 . 0 0 "[ . 1 . 2]" 1 1071 1 48 VAL H 1 48 VAL MG1 . . 4.540 3.757 3.736 3.785 . 0 0 "[ . 1 . 2]" 1 1072 1 48 VAL H 1 48 VAL MG2 . . 2.980 2.243 2.177 2.304 . 0 0 "[ . 1 . 2]" 1 1073 1 48 VAL HA 1 48 VAL MG1 . . 3.060 2.501 2.478 2.553 . 0 0 "[ . 1 . 2]" 1 1074 1 48 VAL HA 1 48 VAL MG2 . . 2.950 2.274 2.251 2.306 . 0 0 "[ . 1 . 2]" 1 1075 1 48 VAL HA 1 49 GLY H . . 3.100 2.177 2.148 2.262 . 0 0 "[ . 1 . 2]" 1 1076 1 48 VAL HA 1 49 GLY QA . . 4.500 3.945 3.920 3.995 . 0 0 "[ . 1 . 2]" 1 1077 1 48 VAL HA 1 50 MET H . . 4.030 3.553 3.338 3.863 . 0 0 "[ . 1 . 2]" 1 1078 1 48 VAL HB 1 49 GLY H . . 5.340 4.240 4.026 4.357 . 0 0 "[ . 1 . 2]" 1 1079 1 48 VAL HB 1 49 GLY QA . . 5.340 4.642 4.572 4.702 . 0 0 "[ . 1 . 2]" 1 1080 1 48 VAL MG1 1 49 GLY H . . 4.150 2.300 2.063 2.713 . 0 0 "[ . 1 . 2]" 1 1081 1 48 VAL MG1 1 49 GLY HA2 . . 4.010 3.416 3.292 3.601 . 0 0 "[ . 1 . 2]" 1 1082 1 48 VAL MG1 1 49 GLY HA3 . . 4.010 3.110 2.872 3.208 . 0 0 "[ . 1 . 2]" 1 1083 1 48 VAL MG1 1 50 MET H . . 4.400 4.232 4.123 4.372 . 0 0 "[ . 1 . 2]" 1 1084 1 48 VAL MG2 1 49 GLY H . . 4.860 3.729 3.574 3.804 . 0 0 "[ . 1 . 2]" 1 1085 1 48 VAL MG2 1 49 GLY HA2 . . 5.500 5.489 5.433 5.513 0.013 20 0 "[ . 1 . 2]" 1 1086 1 48 VAL MG2 1 49 GLY HA3 . . 5.500 5.334 5.279 5.365 . 0 0 "[ . 1 . 2]" 1 1087 1 48 VAL MG2 1 50 MET H . . 5.500 5.154 5.022 5.283 . 0 0 "[ . 1 . 2]" 1 1088 1 49 GLY H 1 50 MET H . . 4.210 2.743 2.374 3.208 . 0 0 "[ . 1 . 2]" 1 1089 1 49 GLY QA 1 50 MET HA . . 4.800 4.051 4.007 4.121 . 0 0 "[ . 1 . 2]" 1 1090 1 49 GLY QA 1 50 MET QB . . 4.760 4.307 4.244 4.377 . 0 0 "[ . 1 . 2]" 1 1091 1 50 MET H 1 50 MET HB2 . . 3.210 2.761 2.306 3.121 . 0 0 "[ . 1 . 2]" 1 1092 1 50 MET H 1 50 MET HB3 . . 3.210 2.560 2.405 2.761 . 0 0 "[ . 1 . 2]" 1 1093 1 50 MET H 1 50 MET HG2 . . 4.670 4.538 4.307 4.689 0.019 14 0 "[ . 1 . 2]" 1 1094 1 50 MET H 1 50 MET QG . . 4.050 4.009 3.932 4.078 0.028 17 0 "[ . 1 . 2]" 1 1095 1 50 MET H 1 50 MET HG3 . . 4.670 4.487 4.244 4.682 0.012 12 0 "[ . 1 . 2]" 1 1096 1 50 MET HA 1 50 MET ME . . 4.360 4.018 3.644 4.370 0.010 8 0 "[ . 1 . 2]" 1 1097 1 50 MET HA 1 50 MET HG2 . . 3.990 3.546 3.089 3.875 . 0 0 "[ . 1 . 2]" 1 1098 1 50 MET HA 1 50 MET QG . . 3.230 2.686 2.398 3.007 . 0 0 "[ . 1 . 2]" 1 1099 1 50 MET HA 1 50 MET HG3 . . 3.990 2.784 2.464 3.134 . 0 0 "[ . 1 . 2]" 1 1100 1 50 MET HA 1 51 ASP H . . 3.410 2.257 2.142 2.441 . 0 0 "[ . 1 . 2]" 1 1101 1 50 MET HA 1 51 ASP HB2 . . 5.500 5.016 4.289 5.217 . 0 0 "[ . 1 . 2]" 1 1102 1 50 MET HA 1 51 ASP HB3 . . 5.500 5.581 5.559 5.626 0.126 19 0 "[ . 1 . 2]" 1 1103 1 50 MET HA 1 54 TRP HB2 . . 5.500 4.997 4.779 5.266 . 0 0 "[ . 1 . 2]" 1 1104 1 50 MET HB2 1 51 ASP H . . 5.500 3.991 3.761 4.286 . 0 0 "[ . 1 . 2]" 1 1105 1 50 MET HB3 1 51 ASP H . . 5.500 3.939 3.512 4.273 . 0 0 "[ . 1 . 2]" 1 1106 1 50 MET ME 1 50 MET HG2 . . 3.620 2.668 2.121 3.263 . 0 0 "[ . 1 . 2]" 1 1107 1 50 MET ME 1 50 MET QG . . 3.140 2.153 2.061 2.208 . 0 0 "[ . 1 . 2]" 1 1108 1 50 MET ME 1 50 MET HG3 . . 3.620 2.735 2.085 3.301 . 0 0 "[ . 1 . 2]" 1 1109 1 50 MET ME 1 54 TRP H . . 5.320 5.184 4.996 5.322 0.002 5 0 "[ . 1 . 2]" 1 1110 1 50 MET ME 1 54 TRP HA . . 4.800 4.541 4.221 4.700 . 0 0 "[ . 1 . 2]" 1 1111 1 50 MET ME 1 54 TRP HB2 . . 3.960 3.859 3.692 3.958 . 0 0 "[ . 1 . 2]" 1 1112 1 50 MET ME 1 54 TRP HB3 . . 3.380 3.167 2.934 3.317 . 0 0 "[ . 1 . 2]" 1 1113 1 50 MET ME 1 55 LEU H . . 4.170 3.649 3.143 3.897 . 0 0 "[ . 1 . 2]" 1 1114 1 50 MET ME 1 55 LEU HA . . 3.400 2.868 2.536 3.224 . 0 0 "[ . 1 . 2]" 1 1115 1 50 MET ME 1 56 MET H . . 3.840 3.145 2.721 3.497 . 0 0 "[ . 1 . 2]" 1 1116 1 50 MET ME 1 56 MET HA . . 3.780 2.585 2.079 2.869 . 0 0 "[ . 1 . 2]" 1 1117 1 50 MET ME 1 57 GLY H . . 4.290 4.123 3.666 4.295 0.005 20 0 "[ . 1 . 2]" 1 1118 1 50 MET ME 1 65 LYS HA . . 3.720 2.611 2.100 2.764 . 0 0 "[ . 1 . 2]" 1 1119 1 50 MET ME 1 65 LYS HD2 . . 3.880 2.704 2.292 3.096 . 0 0 "[ . 1 . 2]" 1 1120 1 50 MET ME 1 65 LYS HD3 . . 3.870 3.252 2.632 3.654 . 0 0 "[ . 1 . 2]" 1 1121 1 50 MET ME 1 65 LYS HG2 . . 3.100 2.144 1.959 2.523 . 0 0 "[ . 1 . 2]" 1 1122 1 50 MET ME 1 65 LYS HG3 . . 4.510 3.632 3.305 3.936 . 0 0 "[ . 1 . 2]" 1 1123 1 50 MET ME 1 66 VAL H . . 4.500 3.382 3.022 3.596 . 0 0 "[ . 1 . 2]" 1 1124 1 50 MET QG 1 51 ASP H . . 4.440 2.343 1.825 2.908 . 0 0 "[ . 1 . 2]" 1 1125 1 50 MET QG 1 54 TRP HB2 . . 4.580 3.138 2.852 3.430 . 0 0 "[ . 1 . 2]" 1 1126 1 50 MET HG2 1 51 ASP H . . 5.170 3.364 1.990 4.382 . 0 0 "[ . 1 . 2]" 1 1127 1 50 MET HG2 1 54 TRP H . . 5.360 4.488 3.860 5.120 . 0 0 "[ . 1 . 2]" 1 1128 1 50 MET HG2 1 54 TRP HB3 . . 4.810 4.516 4.197 4.804 . 0 0 "[ . 1 . 2]" 1 1129 1 50 MET HG3 1 51 ASP H . . 5.170 2.467 2.122 3.333 . 0 0 "[ . 1 . 2]" 1 1130 1 50 MET HG3 1 54 TRP H . . 5.360 4.406 3.781 5.225 . 0 0 "[ . 1 . 2]" 1 1131 1 50 MET HG3 1 54 TRP HB3 . . 4.810 4.030 3.625 4.534 . 0 0 "[ . 1 . 2]" 1 1132 1 51 ASP H 1 51 ASP QB . . 3.650 2.689 2.193 2.783 . 0 0 "[ . 1 . 2]" 1 1133 1 51 ASP HA 1 52 SER H . . 2.790 2.300 2.212 2.478 . 0 0 "[ . 1 . 2]" 1 1134 1 51 ASP HA 1 52 SER QB . . 4.760 4.429 4.136 4.700 . 0 0 "[ . 1 . 2]" 1 1135 1 51 ASP HA 1 53 ASP H . . 4.370 3.923 3.762 4.253 . 0 0 "[ . 1 . 2]" 1 1136 1 51 ASP QB 1 52 SER H . . 3.640 2.733 2.323 2.950 . 0 0 "[ . 1 . 2]" 1 1137 1 51 ASP QB 1 53 ASP H . . 3.780 2.456 2.106 2.695 . 0 0 "[ . 1 . 2]" 1 1138 1 51 ASP QB 1 54 TRP H . . 3.620 3.176 3.061 3.355 . 0 0 "[ . 1 . 2]" 1 1139 1 51 ASP QB 1 54 TRP HD1 . . 3.160 2.220 2.103 2.703 . 0 0 "[ . 1 . 2]" 1 1140 1 51 ASP QB 1 54 TRP HE1 . . 4.740 4.409 4.268 4.743 0.003 10 0 "[ . 1 . 2]" 1 1141 1 51 ASP HB2 1 52 SER H . . 4.200 3.545 3.186 3.890 . 0 0 "[ . 1 . 2]" 1 1142 1 51 ASP HB2 1 52 SER HA . . 5.500 4.983 4.762 5.444 . 0 0 "[ . 1 . 2]" 1 1143 1 51 ASP HB2 1 53 ASP H . . 4.580 2.809 2.507 3.909 . 0 0 "[ . 1 . 2]" 1 1144 1 51 ASP HB2 1 54 TRP HD1 . . 3.630 2.303 2.120 3.003 . 0 0 "[ . 1 . 2]" 1 1145 1 51 ASP HB2 1 54 TRP HE1 . . 5.500 4.702 4.519 5.300 . 0 0 "[ . 1 . 2]" 1 1146 1 51 ASP HB3 1 52 SER H . . 4.200 2.860 2.345 3.112 . 0 0 "[ . 1 . 2]" 1 1147 1 51 ASP HB3 1 52 SER HA . . 5.500 5.140 4.444 5.340 . 0 0 "[ . 1 . 2]" 1 1148 1 51 ASP HB3 1 53 ASP H . . 4.580 2.947 2.122 3.252 . 0 0 "[ . 1 . 2]" 1 1149 1 51 ASP HB3 1 54 TRP HD1 . . 3.630 3.354 2.418 3.529 . 0 0 "[ . 1 . 2]" 1 1150 1 51 ASP HB3 1 54 TRP HE1 . . 5.500 5.398 4.682 5.507 0.007 11 0 "[ . 1 . 2]" 1 1151 1 52 SER H 1 52 SER HB2 . . 3.760 3.020 2.535 3.592 . 0 0 "[ . 1 . 2]" 1 1152 1 52 SER H 1 52 SER QB . . 3.160 2.478 2.158 2.831 . 0 0 "[ . 1 . 2]" 1 1153 1 52 SER H 1 52 SER HB3 . . 3.760 2.863 2.224 3.647 . 0 0 "[ . 1 . 2]" 1 1154 1 52 SER H 1 53 ASP H . . 3.680 2.541 2.281 2.656 . 0 0 "[ . 1 . 2]" 1 1155 1 52 SER H 1 53 ASP HB2 . . 5.430 4.823 4.397 5.048 . 0 0 "[ . 1 . 2]" 1 1156 1 52 SER HA 1 53 ASP H . . 3.500 3.421 3.368 3.498 . 0 0 "[ . 1 . 2]" 1 1157 1 52 SER HA 1 54 TRP H . . 3.830 3.502 3.435 3.555 . 0 0 "[ . 1 . 2]" 1 1158 1 52 SER HA 1 68 ILE MD . . 4.460 3.784 3.632 4.238 . 0 0 "[ . 1 . 2]" 1 1159 1 52 SER HB2 1 53 ASP H . . 4.350 3.786 2.809 4.352 0.002 14 0 "[ . 1 . 2]" 1 1160 1 52 SER HB2 1 68 ILE MD . . 5.500 5.088 4.617 5.516 0.016 11 0 "[ . 1 . 2]" 1 1161 1 52 SER HB3 1 53 ASP H . . 4.350 3.850 3.153 4.348 . 0 0 "[ . 1 . 2]" 1 1162 1 52 SER HB3 1 68 ILE MD . . 5.500 5.265 4.823 5.506 0.006 4 0 "[ . 1 . 2]" 1 1163 1 53 ASP H 1 53 ASP HB2 . . 3.260 2.521 2.330 2.642 . 0 0 "[ . 1 . 2]" 1 1164 1 53 ASP H 1 53 ASP HB3 . . 3.720 3.660 3.589 3.700 . 0 0 "[ . 1 . 2]" 1 1165 1 53 ASP H 1 54 TRP H . . 3.190 2.592 2.484 2.762 . 0 0 "[ . 1 . 2]" 1 1166 1 53 ASP H 1 54 TRP HD1 . . 3.870 3.330 3.071 3.475 . 0 0 "[ . 1 . 2]" 1 1167 1 53 ASP H 1 68 ILE MD . . 4.620 3.863 3.727 3.982 . 0 0 "[ . 1 . 2]" 1 1168 1 53 ASP HA 1 68 ILE H . . 4.580 3.585 3.454 3.718 . 0 0 "[ . 1 . 2]" 1 1169 1 53 ASP HA 1 68 ILE HB . . 4.630 2.677 2.579 2.791 . 0 0 "[ . 1 . 2]" 1 1170 1 53 ASP HA 1 68 ILE MD . . 2.910 2.501 2.187 2.686 . 0 0 "[ . 1 . 2]" 1 1171 1 53 ASP HA 1 68 ILE HG12 . . 4.160 4.138 3.963 4.171 0.011 20 0 "[ . 1 . 2]" 1 1172 1 53 ASP HA 1 68 ILE HG13 . . 5.060 4.957 4.868 5.026 . 0 0 "[ . 1 . 2]" 1 1173 1 53 ASP HA 1 68 ILE MG . . 4.130 3.920 3.823 4.023 . 0 0 "[ . 1 . 2]" 1 1174 1 53 ASP HB2 1 54 TRP H . . 4.190 3.880 3.807 4.066 . 0 0 "[ . 1 . 2]" 1 1175 1 53 ASP HB2 1 54 TRP HD1 . . 3.840 2.480 2.340 2.735 . 0 0 "[ . 1 . 2]" 1 1176 1 53 ASP HB2 1 54 TRP HE1 . . 4.030 3.472 3.375 3.656 . 0 0 "[ . 1 . 2]" 1 1177 1 53 ASP HB2 1 68 ILE H . . 5.360 5.221 5.087 5.358 . 0 0 "[ . 1 . 2]" 1 1178 1 53 ASP HB2 1 68 ILE MD . . 4.690 4.447 4.348 4.517 . 0 0 "[ . 1 . 2]" 1 1179 1 53 ASP HB3 1 54 TRP H . . 4.580 4.431 4.360 4.490 . 0 0 "[ . 1 . 2]" 1 1180 1 53 ASP HB3 1 54 TRP HD1 . . 3.950 3.707 3.432 3.906 . 0 0 "[ . 1 . 2]" 1 1181 1 53 ASP HB3 1 54 TRP HE1 . . 4.310 4.034 3.762 4.226 . 0 0 "[ . 1 . 2]" 1 1182 1 53 ASP HB3 1 68 ILE H . . 5.110 4.199 3.977 4.286 . 0 0 "[ . 1 . 2]" 1 1183 1 53 ASP HB3 1 68 ILE MD . . 4.390 4.084 3.884 4.200 . 0 0 "[ . 1 . 2]" 1 1184 1 54 TRP H 1 54 TRP HB2 . . 3.610 2.865 2.842 2.875 . 0 0 "[ . 1 . 2]" 1 1185 1 54 TRP H 1 54 TRP HB3 . . 3.970 3.898 3.888 3.906 . 0 0 "[ . 1 . 2]" 1 1186 1 54 TRP H 1 54 TRP HD1 . . 3.550 3.508 3.417 3.556 0.006 5 0 "[ . 1 . 2]" 1 1187 1 54 TRP H 1 55 LEU H . . 4.630 4.175 4.091 4.247 . 0 0 "[ . 1 . 2]" 1 1188 1 54 TRP H 1 67 PRO HA . . 5.330 5.096 5.029 5.162 . 0 0 "[ . 1 . 2]" 1 1189 1 54 TRP H 1 68 ILE HB . . 5.000 4.550 4.474 4.621 . 0 0 "[ . 1 . 2]" 1 1190 1 54 TRP H 1 68 ILE MD . . 4.090 2.283 2.198 2.352 . 0 0 "[ . 1 . 2]" 1 1191 1 54 TRP H 1 68 ILE HG12 . . 5.430 4.677 4.569 4.744 . 0 0 "[ . 1 . 2]" 1 1192 1 54 TRP H 1 68 ILE HG13 . . 5.320 5.119 5.000 5.209 . 0 0 "[ . 1 . 2]" 1 1193 1 54 TRP H 1 68 ILE MG . . 5.500 5.495 5.467 5.507 0.007 3 0 "[ . 1 . 2]" 1 1194 1 54 TRP HA 1 54 TRP HE3 . . 3.910 3.321 3.226 3.436 . 0 0 "[ . 1 . 2]" 1 1195 1 54 TRP HA 1 54 TRP HZ3 . . 5.500 5.384 5.295 5.496 . 0 0 "[ . 1 . 2]" 1 1196 1 54 TRP HA 1 55 LEU H . . 2.690 2.162 2.144 2.192 . 0 0 "[ . 1 . 2]" 1 1197 1 54 TRP HA 1 55 LEU HB2 . . 4.400 4.229 4.187 4.266 . 0 0 "[ . 1 . 2]" 1 1198 1 54 TRP HA 1 55 LEU HG . . 4.770 4.579 4.471 4.661 . 0 0 "[ . 1 . 2]" 1 1199 1 54 TRP HA 1 66 VAL H . . 4.400 3.850 3.611 4.032 . 0 0 "[ . 1 . 2]" 1 1200 1 54 TRP HA 1 66 VAL MG2 . . 4.350 3.916 3.781 4.061 . 0 0 "[ . 1 . 2]" 1 1201 1 54 TRP HA 1 67 PRO HA . . 3.040 2.816 2.802 2.832 . 0 0 "[ . 1 . 2]" 1 1202 1 54 TRP HA 1 67 PRO HB2 . . 5.500 5.508 5.502 5.512 0.012 17 0 "[ . 1 . 2]" 1 1203 1 54 TRP HA 1 67 PRO HB3 . . 5.390 4.940 4.900 4.989 . 0 0 "[ . 1 . 2]" 1 1204 1 54 TRP HA 1 68 ILE H . . 3.240 2.939 2.859 3.026 . 0 0 "[ . 1 . 2]" 1 1205 1 54 TRP HA 1 68 ILE HA . . 5.180 5.005 4.887 5.083 . 0 0 "[ . 1 . 2]" 1 1206 1 54 TRP HA 1 68 ILE HB . . 4.640 4.562 4.471 4.636 . 0 0 "[ . 1 . 2]" 1 1207 1 54 TRP HA 1 68 ILE MD . . 3.660 2.221 1.972 2.390 . 0 0 "[ . 1 . 2]" 1 1208 1 54 TRP HA 1 68 ILE HG12 . . 5.500 5.132 4.957 5.272 . 0 0 "[ . 1 . 2]" 1 1209 1 54 TRP HA 1 68 ILE HG13 . . 4.920 4.549 4.292 4.732 . 0 0 "[ . 1 . 2]" 1 1210 1 54 TRP HB2 1 54 TRP HD1 . . 3.880 2.699 2.675 2.732 . 0 0 "[ . 1 . 2]" 1 1211 1 54 TRP HB2 1 55 LEU H . . 4.350 4.232 4.130 4.322 . 0 0 "[ . 1 . 2]" 1 1212 1 54 TRP HB2 1 65 LYS HB2 . . 5.500 5.497 5.449 5.509 0.009 9 0 "[ . 1 . 2]" 1 1213 1 54 TRP HB2 1 65 LYS HB3 . . 4.640 3.911 3.828 4.047 . 0 0 "[ . 1 . 2]" 1 1214 1 54 TRP HB2 1 65 LYS HD2 . . 4.920 3.290 2.855 3.655 . 0 0 "[ . 1 . 2]" 1 1215 1 54 TRP HB2 1 65 LYS HE2 . . 5.500 5.450 5.316 5.508 0.008 20 0 "[ . 1 . 2]" 1 1216 1 54 TRP HB2 1 65 LYS HE3 . . 4.960 3.840 3.602 4.027 . 0 0 "[ . 1 . 2]" 1 1217 1 54 TRP HB2 1 66 VAL H . . 5.370 5.181 4.966 5.374 0.004 18 0 "[ . 1 . 2]" 1 1218 1 54 TRP HB2 1 67 PRO HA . . 5.500 5.265 5.219 5.289 . 0 0 "[ . 1 . 2]" 1 1219 1 54 TRP HB3 1 54 TRP HE3 . . 3.700 2.530 2.495 2.559 . 0 0 "[ . 1 . 2]" 1 1220 1 54 TRP HB3 1 54 TRP HZ3 . . 4.960 4.922 4.896 4.945 . 0 0 "[ . 1 . 2]" 1 1221 1 54 TRP HB3 1 55 LEU H . . 3.480 3.242 3.076 3.400 . 0 0 "[ . 1 . 2]" 1 1222 1 54 TRP HB3 1 65 LYS HA . . 4.470 3.955 3.741 4.291 . 0 0 "[ . 1 . 2]" 1 1223 1 54 TRP HB3 1 65 LYS HB2 . . 4.550 4.045 3.945 4.142 . 0 0 "[ . 1 . 2]" 1 1224 1 54 TRP HB3 1 65 LYS HB3 . . 4.140 2.364 2.293 2.423 . 0 0 "[ . 1 . 2]" 1 1225 1 54 TRP HB3 1 65 LYS HD2 . . 4.520 2.761 2.360 3.063 . 0 0 "[ . 1 . 2]" 1 1226 1 54 TRP HB3 1 65 LYS HD3 . . 5.190 4.498 4.119 4.760 . 0 0 "[ . 1 . 2]" 1 1227 1 54 TRP HB3 1 65 LYS HE2 . . 4.980 4.668 4.396 4.878 . 0 0 "[ . 1 . 2]" 1 1228 1 54 TRP HB3 1 65 LYS HE3 . . 4.810 3.212 2.810 3.514 . 0 0 "[ . 1 . 2]" 1 1229 1 54 TRP HB3 1 65 LYS HG2 . . 5.080 4.147 3.737 4.423 . 0 0 "[ . 1 . 2]" 1 1230 1 54 TRP HB3 1 65 LYS HG3 . . 5.250 4.967 4.689 5.134 . 0 0 "[ . 1 . 2]" 1 1231 1 54 TRP HB3 1 66 VAL H . . 4.300 3.531 3.296 3.734 . 0 0 "[ . 1 . 2]" 1 1232 1 54 TRP HB3 1 67 PRO HA . . 4.850 4.605 4.508 4.666 . 0 0 "[ . 1 . 2]" 1 1233 1 54 TRP HE3 1 55 LEU H . . 4.380 3.849 3.718 3.979 . 0 0 "[ . 1 . 2]" 1 1234 1 54 TRP HE3 1 65 LYS HA . . 4.570 3.705 3.495 3.995 . 0 0 "[ . 1 . 2]" 1 1235 1 54 TRP HE3 1 65 LYS HB2 . . 4.150 2.974 2.795 3.208 . 0 0 "[ . 1 . 2]" 1 1236 1 54 TRP HE3 1 65 LYS HB3 . . 3.640 2.112 2.033 2.276 . 0 0 "[ . 1 . 2]" 1 1237 1 54 TRP HE3 1 65 LYS HD2 . . 5.030 4.149 4.014 4.329 . 0 0 "[ . 1 . 2]" 1 1238 1 54 TRP HE3 1 65 LYS HD3 . . 5.500 5.513 5.503 5.523 0.023 15 0 "[ . 1 . 2]" 1 1239 1 54 TRP HE3 1 65 LYS HE2 . . 5.020 4.512 4.148 4.887 . 0 0 "[ . 1 . 2]" 1 1240 1 54 TRP HE3 1 65 LYS HE3 . . 4.890 3.453 3.118 3.845 . 0 0 "[ . 1 . 2]" 1 1241 1 54 TRP HE3 1 65 LYS HG2 . . 4.900 4.685 4.559 4.854 . 0 0 "[ . 1 . 2]" 1 1242 1 54 TRP HE3 1 65 LYS HG3 . . 5.200 4.905 4.857 4.983 . 0 0 "[ . 1 . 2]" 1 1243 1 54 TRP HE3 1 66 VAL H . . 3.860 2.901 2.665 3.061 . 0 0 "[ . 1 . 2]" 1 1244 1 54 TRP HE3 1 66 VAL HA . . 4.080 3.234 3.131 3.314 . 0 0 "[ . 1 . 2]" 1 1245 1 54 TRP HE3 1 66 VAL MG2 . . 4.970 4.276 4.158 4.352 . 0 0 "[ . 1 . 2]" 1 1246 1 54 TRP HE3 1 67 PRO HA . . 3.850 3.753 3.708 3.797 . 0 0 "[ . 1 . 2]" 1 1247 1 54 TRP HE3 1 67 PRO HD2 . . 4.620 4.578 4.543 4.614 . 0 0 "[ . 1 . 2]" 1 1248 1 54 TRP HE3 1 67 PRO HD3 . . 4.140 3.441 3.389 3.477 . 0 0 "[ . 1 . 2]" 1 1249 1 54 TRP HH2 1 67 PRO HA . . 5.460 5.050 5.010 5.098 . 0 0 "[ . 1 . 2]" 1 1250 1 54 TRP HH2 1 67 PRO HB3 . . 4.230 3.632 3.577 3.685 . 0 0 "[ . 1 . 2]" 1 1251 1 54 TRP HH2 1 67 PRO HD3 . . 4.780 3.457 3.389 3.538 . 0 0 "[ . 1 . 2]" 1 1252 1 54 TRP HH2 1 67 PRO HG2 . . 5.500 5.502 5.476 5.508 0.008 11 0 "[ . 1 . 2]" 1 1253 1 54 TRP HH2 1 67 PRO HG3 . . 4.360 3.921 3.901 3.939 . 0 0 "[ . 1 . 2]" 1 1254 1 54 TRP HZ2 1 65 LYS HE3 . . 5.500 5.448 5.330 5.509 0.009 2 0 "[ . 1 . 2]" 1 1255 1 54 TRP HZ2 1 67 PRO HA . . 5.500 4.983 4.885 5.039 . 0 0 "[ . 1 . 2]" 1 1256 1 54 TRP HZ2 1 67 PRO HB3 . . 5.140 3.844 3.758 3.921 . 0 0 "[ . 1 . 2]" 1 1257 1 54 TRP HZ2 1 67 PRO HG3 . . 5.500 5.243 5.189 5.319 . 0 0 "[ . 1 . 2]" 1 1258 1 54 TRP HZ3 1 65 LYS HB2 . . 4.540 3.600 3.435 3.928 . 0 0 "[ . 1 . 2]" 1 1259 1 54 TRP HZ3 1 65 LYS HB3 . . 4.240 3.916 3.792 4.137 . 0 0 "[ . 1 . 2]" 1 1260 1 54 TRP HZ3 1 66 VAL H . . 4.900 4.588 4.403 4.701 . 0 0 "[ . 1 . 2]" 1 1261 1 54 TRP HZ3 1 66 VAL HA . . 3.910 3.112 2.937 3.260 . 0 0 "[ . 1 . 2]" 1 1262 1 54 TRP HZ3 1 66 VAL MG1 . . 5.160 4.671 4.554 4.786 . 0 0 "[ . 1 . 2]" 1 1263 1 54 TRP HZ3 1 67 PRO HA . . 4.800 4.499 4.443 4.546 . 0 0 "[ . 1 . 2]" 1 1264 1 54 TRP HZ3 1 67 PRO HB2 . . 5.500 5.499 5.399 5.513 0.013 15 0 "[ . 1 . 2]" 1 1265 1 54 TRP HZ3 1 67 PRO HB3 . . 5.000 4.021 3.906 4.053 . 0 0 "[ . 1 . 2]" 1 1266 1 54 TRP HZ3 1 67 PRO HD2 . . 4.130 3.824 3.746 3.881 . 0 0 "[ . 1 . 2]" 1 1267 1 54 TRP HZ3 1 67 PRO HD3 . . 3.610 2.192 2.143 2.236 . 0 0 "[ . 1 . 2]" 1 1268 1 54 TRP HZ3 1 67 PRO HG3 . . 4.600 4.036 3.932 4.058 . 0 0 "[ . 1 . 2]" 1 1269 1 55 LEU H 1 55 LEU HB2 . . 3.470 2.396 2.332 2.443 . 0 0 "[ . 1 . 2]" 1 1270 1 55 LEU H 1 55 LEU MD2 . . 4.560 4.318 4.257 4.405 . 0 0 "[ . 1 . 2]" 1 1271 1 55 LEU H 1 55 LEU HG . . 3.880 3.575 3.475 3.668 . 0 0 "[ . 1 . 2]" 1 1272 1 55 LEU H 1 56 MET H . . 4.880 4.474 4.444 4.508 . 0 0 "[ . 1 . 2]" 1 1273 1 55 LEU H 1 65 LYS HA . . 4.550 4.297 4.087 4.479 . 0 0 "[ . 1 . 2]" 1 1274 1 55 LEU H 1 66 VAL H . . 3.480 2.581 2.401 2.811 . 0 0 "[ . 1 . 2]" 1 1275 1 55 LEU H 1 66 VAL HA . . 4.910 4.522 4.436 4.606 . 0 0 "[ . 1 . 2]" 1 1276 1 55 LEU H 1 66 VAL MG2 . . 3.510 2.328 2.042 2.515 . 0 0 "[ . 1 . 2]" 1 1277 1 55 LEU H 1 67 PRO HA . . 4.300 4.182 4.121 4.246 . 0 0 "[ . 1 . 2]" 1 1278 1 55 LEU H 1 68 ILE H . . 4.430 4.070 3.894 4.185 . 0 0 "[ . 1 . 2]" 1 1279 1 55 LEU H 1 68 ILE HA . . 5.070 4.974 4.820 5.054 . 0 0 "[ . 1 . 2]" 1 1280 1 55 LEU H 1 68 ILE HG13 . . 5.500 4.189 4.032 4.347 . 0 0 "[ . 1 . 2]" 1 1281 1 55 LEU H 1 71 LEU MD1 . . 4.570 3.649 3.521 3.844 . 0 0 "[ . 1 . 2]" 1 1282 1 55 LEU HA 1 55 LEU MD1 . . 4.330 3.820 3.808 3.833 . 0 0 "[ . 1 . 2]" 1 1283 1 55 LEU HA 1 55 LEU MD2 . . 2.710 2.208 2.018 2.410 . 0 0 "[ . 1 . 2]" 1 1284 1 55 LEU HA 1 55 LEU HG . . 3.980 2.647 2.561 2.747 . 0 0 "[ . 1 . 2]" 1 1285 1 55 LEU HA 1 56 MET H . . 2.960 2.497 2.369 2.579 . 0 0 "[ . 1 . 2]" 1 1286 1 55 LEU HA 1 66 VAL H . . 4.870 4.449 4.374 4.536 . 0 0 "[ . 1 . 2]" 1 1287 1 55 LEU HA 1 66 VAL MG2 . . 4.670 3.880 3.729 4.006 . 0 0 "[ . 1 . 2]" 1 1288 1 55 LEU HB2 1 55 LEU MD1 . . 3.120 2.172 2.068 2.280 . 0 0 "[ . 1 . 2]" 1 1289 1 55 LEU HB2 1 56 MET H . . 4.020 3.718 3.594 3.940 . 0 0 "[ . 1 . 2]" 1 1290 1 55 LEU HB2 1 66 VAL H . . 4.640 4.110 3.959 4.295 . 0 0 "[ . 1 . 2]" 1 1291 1 55 LEU HB2 1 66 VAL MG2 . . 3.120 2.223 2.083 2.400 . 0 0 "[ . 1 . 2]" 1 1292 1 55 LEU HB2 1 71 LEU MD1 . . 3.110 2.908 2.802 3.095 . 0 0 "[ . 1 . 2]" 1 1293 1 55 LEU HB3 1 55 LEU MD1 . . 3.430 2.531 2.445 2.616 . 0 0 "[ . 1 . 2]" 1 1294 1 55 LEU HB3 1 56 MET H . . 3.100 2.269 2.094 2.583 . 0 0 "[ . 1 . 2]" 1 1295 1 55 LEU HB3 1 56 MET HA . . 4.950 4.412 4.322 4.556 . 0 0 "[ . 1 . 2]" 1 1296 1 55 LEU HB3 1 66 VAL H . . 5.500 4.698 4.571 4.839 . 0 0 "[ . 1 . 2]" 1 1297 1 55 LEU HB3 1 66 VAL MG2 . . 3.580 2.912 2.797 3.021 . 0 0 "[ . 1 . 2]" 1 1298 1 55 LEU HB3 1 71 LEU MD1 . . 4.970 3.965 3.837 4.191 . 0 0 "[ . 1 . 2]" 1 1299 1 55 LEU MD1 1 56 MET H . . 4.880 4.234 4.132 4.430 . 0 0 "[ . 1 . 2]" 1 1300 1 55 LEU MD1 1 68 ILE HA . . 3.940 3.682 3.539 3.918 . 0 0 "[ . 1 . 2]" 1 1301 1 55 LEU MD1 1 68 ILE HB . . 4.840 4.674 4.545 4.785 . 0 0 "[ . 1 . 2]" 1 1302 1 55 LEU MD1 1 68 ILE HG12 . . 4.190 2.769 2.611 2.933 . 0 0 "[ . 1 . 2]" 1 1303 1 55 LEU MD1 1 68 ILE HG13 . . 3.990 2.150 1.967 2.413 . 0 0 "[ . 1 . 2]" 1 1304 1 55 LEU MD1 1 71 LEU HB2 . . 4.240 3.994 3.818 4.183 . 0 0 "[ . 1 . 2]" 1 1305 1 55 LEU MD2 1 56 MET H . . 3.610 2.562 2.308 2.734 . 0 0 "[ . 1 . 2]" 1 1306 1 55 LEU HG 1 56 MET H . . 4.510 4.338 4.241 4.482 . 0 0 "[ . 1 . 2]" 1 1307 1 55 LEU HG 1 68 ILE HA . . 5.500 5.205 4.985 5.382 . 0 0 "[ . 1 . 2]" 1 1308 1 56 MET H 1 56 MET HB2 . . 3.300 2.406 2.292 2.499 . 0 0 "[ . 1 . 2]" 1 1309 1 56 MET H 1 56 MET HB3 . . 3.270 2.857 2.827 2.883 . 0 0 "[ . 1 . 2]" 1 1310 1 56 MET H 1 56 MET HG2 . . 4.720 4.541 4.310 4.733 0.013 12 0 "[ . 1 . 2]" 1 1311 1 56 MET H 1 56 MET QG . . 4.150 4.076 3.985 4.152 0.002 12 0 "[ . 1 . 2]" 1 1312 1 56 MET H 1 56 MET HG3 . . 4.720 4.632 4.545 4.725 0.005 10 0 "[ . 1 . 2]" 1 1313 1 56 MET H 1 65 LYS HA . . 5.320 5.100 4.890 5.261 . 0 0 "[ . 1 . 2]" 1 1314 1 56 MET H 1 66 VAL MG2 . . 4.020 3.817 3.609 4.023 0.003 9 0 "[ . 1 . 2]" 1 1315 1 56 MET HA 1 56 MET ME . . 3.270 2.990 2.615 3.243 . 0 0 "[ . 1 . 2]" 1 1316 1 56 MET HA 1 56 MET HG2 . . 4.060 3.254 2.636 3.644 . 0 0 "[ . 1 . 2]" 1 1317 1 56 MET HA 1 56 MET HG3 . . 4.060 3.109 2.666 3.641 . 0 0 "[ . 1 . 2]" 1 1318 1 56 MET HA 1 57 GLY H . . 2.800 2.186 2.179 2.190 . 0 0 "[ . 1 . 2]" 1 1319 1 56 MET HA 1 64 GLY H . . 4.570 4.256 4.097 4.458 . 0 0 "[ . 1 . 2]" 1 1320 1 56 MET HA 1 65 LYS H . . 5.370 5.234 5.054 5.369 . 0 0 "[ . 1 . 2]" 1 1321 1 56 MET HA 1 65 LYS HA . . 3.340 3.057 2.741 3.246 . 0 0 "[ . 1 . 2]" 1 1322 1 56 MET HA 1 65 LYS HG2 . . 5.280 4.224 3.971 4.438 . 0 0 "[ . 1 . 2]" 1 1323 1 56 MET HA 1 66 VAL H . . 4.120 3.913 3.772 4.110 . 0 0 "[ . 1 . 2]" 1 1324 1 56 MET HA 1 66 VAL MG2 . . 4.000 3.628 3.431 3.885 . 0 0 "[ . 1 . 2]" 1 1325 1 56 MET HB2 1 56 MET ME . . 4.730 4.044 3.942 4.114 . 0 0 "[ . 1 . 2]" 1 1326 1 56 MET HB2 1 57 GLY H . . 4.630 4.608 4.600 4.618 . 0 0 "[ . 1 . 2]" 1 1327 1 56 MET HB3 1 56 MET ME . . 4.390 4.150 4.032 4.222 . 0 0 "[ . 1 . 2]" 1 1328 1 56 MET HB3 1 57 GLY H . . 4.250 4.234 4.220 4.255 0.005 2 0 "[ . 1 . 2]" 1 1329 1 56 MET ME 1 56 MET HG2 . . 3.620 2.631 2.160 3.040 . 0 0 "[ . 1 . 2]" 1 1330 1 56 MET ME 1 56 MET QG . . 3.170 2.093 1.977 2.184 . 0 0 "[ . 1 . 2]" 1 1331 1 56 MET ME 1 56 MET HG3 . . 3.620 2.444 2.005 3.042 . 0 0 "[ . 1 . 2]" 1 1332 1 56 MET ME 1 57 GLY H . . 3.920 3.529 3.129 3.845 . 0 0 "[ . 1 . 2]" 1 1333 1 56 MET ME 1 63 LYS HA . . 4.260 3.544 3.278 3.999 . 0 0 "[ . 1 . 2]" 1 1334 1 56 MET ME 1 63 LYS QE . . 3.710 3.032 2.016 3.711 0.001 8 0 "[ . 1 . 2]" 1 1335 1 56 MET ME 1 64 GLY H . . 3.480 2.317 1.960 2.609 . 0 0 "[ . 1 . 2]" 1 1336 1 56 MET ME 1 64 GLY HA2 . . 3.150 2.264 2.058 2.465 . 0 0 "[ . 1 . 2]" 1 1337 1 56 MET ME 1 64 GLY HA3 . . 3.640 3.414 3.286 3.630 . 0 0 "[ . 1 . 2]" 1 1338 1 56 MET ME 1 65 LYS H . . 3.960 3.711 3.508 3.959 . 0 0 "[ . 1 . 2]" 1 1339 1 56 MET ME 1 65 LYS HA . . 3.880 3.620 3.210 3.868 . 0 0 "[ . 1 . 2]" 1 1340 1 56 MET ME 1 65 LYS HG3 . . 4.970 4.174 3.879 4.399 . 0 0 "[ . 1 . 2]" 1 1341 1 56 MET QG 1 57 GLY H . . 4.310 3.864 3.560 4.248 . 0 0 "[ . 1 . 2]" 1 1342 1 56 MET QG 1 63 LYS QE . . 4.560 3.437 1.836 4.505 . 0 0 "[ . 1 . 2]" 1 1343 1 56 MET QG 1 64 GLY H . . 4.750 4.110 3.594 4.699 . 0 0 "[ . 1 . 2]" 1 1344 1 56 MET QG 1 65 LYS HA . . 5.340 4.936 4.467 5.278 . 0 0 "[ . 1 . 2]" 1 1345 1 56 MET HG2 1 64 GLY H . . 5.500 5.284 4.934 5.501 0.001 19 0 "[ . 1 . 2]" 1 1346 1 56 MET HG3 1 64 GLY H . . 5.500 4.476 3.656 5.495 . 0 0 "[ . 1 . 2]" 1 1347 1 57 GLY H 1 58 GLU H . . 4.790 4.575 4.530 4.597 . 0 0 "[ . 1 . 2]" 1 1348 1 57 GLY H 1 63 LYS HA . . 5.390 5.008 4.843 5.230 . 0 0 "[ . 1 . 2]" 1 1349 1 57 GLY H 1 64 GLY H . . 3.620 3.309 3.124 3.491 . 0 0 "[ . 1 . 2]" 1 1350 1 57 GLY H 1 65 LYS HA . . 3.620 3.286 2.924 3.548 . 0 0 "[ . 1 . 2]" 1 1351 1 57 GLY H 1 66 VAL H . . 4.060 3.564 3.311 3.855 . 0 0 "[ . 1 . 2]" 1 1352 1 57 GLY H 1 66 VAL MG1 . . 3.850 2.667 2.452 2.994 . 0 0 "[ . 1 . 2]" 1 1353 1 57 GLY H 1 66 VAL MG2 . . 3.740 2.694 2.348 3.002 . 0 0 "[ . 1 . 2]" 1 1354 1 57 GLY HA2 1 58 GLU H . . 2.930 2.227 2.178 2.284 . 0 0 "[ . 1 . 2]" 1 1355 1 57 GLY HA2 1 58 GLU HB2 . . 5.230 4.321 4.262 4.456 . 0 0 "[ . 1 . 2]" 1 1356 1 57 GLY HA2 1 66 VAL MG1 . . 3.720 3.414 3.234 3.619 . 0 0 "[ . 1 . 2]" 1 1357 1 57 GLY HA2 1 66 VAL MG2 . . 3.950 3.221 2.950 3.413 . 0 0 "[ . 1 . 2]" 1 1358 1 57 GLY HA3 1 58 GLU H . . 3.080 2.987 2.895 3.083 0.003 18 0 "[ . 1 . 2]" 1 1359 1 57 GLY HA3 1 66 VAL MG1 . . 3.350 2.121 1.960 2.265 . 0 0 "[ . 1 . 2]" 1 1360 1 57 GLY HA3 1 66 VAL MG2 . . 3.610 2.787 2.409 3.089 . 0 0 "[ . 1 . 2]" 1 1361 1 58 GLU H 1 58 GLU HB2 . . 3.920 3.090 2.868 3.233 . 0 0 "[ . 1 . 2]" 1 1362 1 58 GLU H 1 58 GLU HB3 . . 3.500 2.788 2.663 2.893 . 0 0 "[ . 1 . 2]" 1 1363 1 58 GLU H 1 58 GLU HG2 . . 4.620 4.535 4.394 4.611 . 0 0 "[ . 1 . 2]" 1 1364 1 58 GLU H 1 58 GLU HG3 . . 5.170 4.744 4.611 4.859 . 0 0 "[ . 1 . 2]" 1 1365 1 58 GLU H 1 66 VAL MG1 . . 4.920 4.485 4.271 4.680 . 0 0 "[ . 1 . 2]" 1 1366 1 58 GLU HA 1 58 GLU HG2 . . 3.560 2.997 2.803 3.160 . 0 0 "[ . 1 . 2]" 1 1367 1 58 GLU HA 1 58 GLU HG3 . . 3.770 2.551 2.391 2.883 . 0 0 "[ . 1 . 2]" 1 1368 1 58 GLU HA 1 59 ARG H . . 2.640 2.149 2.144 2.151 . 0 0 "[ . 1 . 2]" 1 1369 1 58 GLU HA 1 62 GLN H . . 4.860 4.450 4.321 4.612 . 0 0 "[ . 1 . 2]" 1 1370 1 58 GLU HA 1 63 LYS H . . 4.890 4.887 4.855 4.921 0.031 17 0 "[ . 1 . 2]" 1 1371 1 58 GLU HA 1 63 LYS HA . . 2.880 2.517 2.366 2.613 . 0 0 "[ . 1 . 2]" 1 1372 1 58 GLU HA 1 63 LYS HB2 . . 5.260 5.028 4.816 5.239 . 0 0 "[ . 1 . 2]" 1 1373 1 58 GLU HA 1 63 LYS HB3 . . 4.860 4.497 3.971 4.862 0.002 17 0 "[ . 1 . 2]" 1 1374 1 58 GLU HA 1 63 LYS QG . . 3.740 2.695 2.372 3.006 . 0 0 "[ . 1 . 2]" 1 1375 1 58 GLU HA 1 64 GLY H . . 4.250 3.967 3.786 4.097 . 0 0 "[ . 1 . 2]" 1 1376 1 58 GLU HB2 1 59 ARG H . . 4.480 4.447 4.381 4.486 0.006 14 0 "[ . 1 . 2]" 1 1377 1 58 GLU HB2 1 63 LYS HA . . 4.780 4.126 3.929 4.329 . 0 0 "[ . 1 . 2]" 1 1378 1 58 GLU HB2 1 63 LYS QG . . 3.700 2.825 2.457 3.312 . 0 0 "[ . 1 . 2]" 1 1379 1 58 GLU HB3 1 59 ARG H . . 4.500 4.316 4.264 4.386 . 0 0 "[ . 1 . 2]" 1 1380 1 58 GLU HB3 1 63 LYS HA . . 5.460 5.288 5.143 5.373 . 0 0 "[ . 1 . 2]" 1 1381 1 58 GLU HB3 1 63 LYS QG . . 4.510 4.134 3.829 4.504 . 0 0 "[ . 1 . 2]" 1 1382 1 58 GLU HG2 1 59 ARG H . . 3.880 3.478 3.187 3.682 . 0 0 "[ . 1 . 2]" 1 1383 1 58 GLU HG2 1 63 LYS HA . . 5.210 4.916 4.794 5.113 . 0 0 "[ . 1 . 2]" 1 1384 1 58 GLU HG2 1 63 LYS QG . . 3.760 3.553 3.296 3.702 . 0 0 "[ . 1 . 2]" 1 1385 1 58 GLU HG3 1 59 ARG H . . 4.100 3.725 3.497 4.030 . 0 0 "[ . 1 . 2]" 1 1386 1 58 GLU HG3 1 63 LYS HA . . 4.340 3.717 3.468 4.214 . 0 0 "[ . 1 . 2]" 1 1387 1 58 GLU HG3 1 63 LYS QG . . 3.990 2.035 1.964 2.338 . 0 0 "[ . 1 . 2]" 1 1388 1 59 ARG H 1 59 ARG HB2 . . 3.760 2.800 2.630 3.106 . 0 0 "[ . 1 . 2]" 1 1389 1 59 ARG H 1 59 ARG HB3 . . 3.480 2.938 2.861 3.072 . 0 0 "[ . 1 . 2]" 1 1390 1 59 ARG H 1 59 ARG HG2 . . 5.070 4.666 4.587 4.737 . 0 0 "[ . 1 . 2]" 1 1391 1 59 ARG H 1 59 ARG QG . . 4.390 4.123 4.067 4.209 . 0 0 "[ . 1 . 2]" 1 1392 1 59 ARG H 1 59 ARG HG3 . . 5.070 4.604 4.473 4.840 . 0 0 "[ . 1 . 2]" 1 1393 1 59 ARG H 1 62 GLN H . . 3.800 3.291 3.055 3.512 . 0 0 "[ . 1 . 2]" 1 1394 1 59 ARG H 1 62 GLN QB . . 3.900 3.330 2.848 3.579 . 0 0 "[ . 1 . 2]" 1 1395 1 59 ARG H 1 63 LYS HA . . 3.770 3.548 3.327 3.710 . 0 0 "[ . 1 . 2]" 1 1396 1 59 ARG H 1 63 LYS QG . . 4.240 4.099 3.954 4.250 0.010 17 0 "[ . 1 . 2]" 1 1397 1 59 ARG HA 1 59 ARG HG2 . . 3.500 2.809 2.448 3.075 . 0 0 "[ . 1 . 2]" 1 1398 1 59 ARG HA 1 59 ARG QG . . 3.030 2.273 2.174 2.404 . 0 0 "[ . 1 . 2]" 1 1399 1 59 ARG HA 1 59 ARG HG3 . . 3.500 2.459 2.223 2.795 . 0 0 "[ . 1 . 2]" 1 1400 1 59 ARG HB2 1 59 ARG HD2 . . 3.760 3.496 2.755 3.721 . 0 0 "[ . 1 . 2]" 1 1401 1 59 ARG HB2 1 59 ARG HD3 . . 3.760 2.426 2.125 2.926 . 0 0 "[ . 1 . 2]" 1 1402 1 59 ARG HB2 1 59 ARG HE . . 5.140 3.932 3.435 4.601 . 0 0 "[ . 1 . 2]" 1 1403 1 59 ARG HB3 1 59 ARG QD . . 3.570 2.657 2.124 2.968 . 0 0 "[ . 1 . 2]" 1 1404 1 59 ARG HB3 1 59 ARG HE . . 4.760 2.965 2.304 4.251 . 0 0 "[ . 1 . 2]" 1 1405 1 59 ARG HB3 1 62 GLN H . . 4.860 4.510 4.200 4.865 0.005 18 0 "[ . 1 . 2]" 1 1406 1 59 ARG HB3 1 62 GLN QB . . 4.160 3.455 2.597 4.192 0.032 17 0 "[ . 1 . 2]" 1 1407 1 59 ARG QD 1 59 ARG QH1 . . 3.210 1.923 1.849 1.981 . 0 0 "[ . 1 . 2]" 1 1408 1 59 ARG HD2 1 59 ARG HH11 . . 4.270 2.509 2.377 2.653 . 0 0 "[ . 1 . 2]" 1 1409 1 59 ARG HD2 1 59 ARG HH12 . . 4.270 3.938 3.827 4.061 . 0 0 "[ . 1 . 2]" 1 1410 1 59 ARG HD3 1 59 ARG HH11 . . 4.270 2.025 1.899 2.145 . 0 0 "[ . 1 . 2]" 1 1411 1 59 ARG HD3 1 59 ARG HH12 . . 4.270 3.550 3.456 3.641 . 0 0 "[ . 1 . 2]" 1 1412 1 59 ARG QG 1 60 GLY QA . . 4.600 3.674 3.180 3.924 . 0 0 "[ . 1 . 2]" 1 1413 1 60 GLY QA 1 61 ASN QB . . 4.620 3.933 3.638 4.280 . 0 0 "[ . 1 . 2]" 1 1414 1 60 GLY QA 1 62 GLN H . . 4.120 3.783 3.483 3.945 . 0 0 "[ . 1 . 2]" 1 1415 1 60 GLY HA2 1 61 ASN QB . . 5.370 4.668 3.873 5.285 . 0 0 "[ . 1 . 2]" 1 1416 1 60 GLY HA2 1 62 GLN H . . 4.760 4.553 4.096 4.747 . 0 0 "[ . 1 . 2]" 1 1417 1 60 GLY HA3 1 61 ASN QB . . 5.370 4.331 3.937 4.648 . 0 0 "[ . 1 . 2]" 1 1418 1 60 GLY HA3 1 62 GLN H . . 4.760 4.049 3.769 4.236 . 0 0 "[ . 1 . 2]" 1 1419 1 61 ASN QB 1 62 GLN H . . 4.260 3.847 3.737 3.894 . 0 0 "[ . 1 . 2]" 1 1420 1 61 ASN QB 1 62 GLN HG2 . . 4.770 4.539 4.370 4.747 . 0 0 "[ . 1 . 2]" 1 1421 1 61 ASN QB 1 62 GLN HG3 . . 4.610 3.794 3.304 4.013 . 0 0 "[ . 1 . 2]" 1 1422 1 62 GLN H 1 62 GLN HB2 . . 3.860 2.658 2.468 2.801 . 0 0 "[ . 1 . 2]" 1 1423 1 62 GLN H 1 62 GLN QB . . 3.070 2.605 2.428 2.738 . 0 0 "[ . 1 . 2]" 1 1424 1 62 GLN H 1 62 GLN HB3 . . 3.860 3.748 3.610 3.867 0.007 5 0 "[ . 1 . 2]" 1 1425 1 62 GLN H 1 62 GLN HG2 . . 4.300 4.222 4.132 4.296 . 0 0 "[ . 1 . 2]" 1 1426 1 62 GLN H 1 62 GLN HG3 . . 3.770 3.572 3.080 3.766 . 0 0 "[ . 1 . 2]" 1 1427 1 62 GLN HA 1 62 GLN HG2 . . 3.430 2.310 2.206 2.656 . 0 0 "[ . 1 . 2]" 1 1428 1 62 GLN HA 1 62 GLN HG3 . . 3.640 3.083 2.996 3.177 . 0 0 "[ . 1 . 2]" 1 1429 1 62 GLN HA 1 63 LYS H . . 2.570 2.406 2.221 2.567 . 0 0 "[ . 1 . 2]" 1 1430 1 62 GLN HA 1 63 LYS HA . . 4.740 4.503 4.427 4.551 . 0 0 "[ . 1 . 2]" 1 1431 1 62 GLN HA 1 63 LYS QG . . 4.740 3.847 3.191 4.201 . 0 0 "[ . 1 . 2]" 1 1432 1 62 GLN QB 1 63 LYS H . . 3.360 2.421 2.099 2.871 . 0 0 "[ . 1 . 2]" 1 1433 1 62 GLN HB2 1 63 LYS H . . 4.170 3.784 3.592 4.032 . 0 0 "[ . 1 . 2]" 1 1434 1 62 GLN HB3 1 63 LYS H . . 4.170 2.451 2.113 2.938 . 0 0 "[ . 1 . 2]" 1 1435 1 62 GLN HG2 1 63 LYS H . . 4.310 3.698 3.427 4.136 . 0 0 "[ . 1 . 2]" 1 1436 1 62 GLN HG3 1 63 LYS H . . 5.040 4.757 4.537 4.944 . 0 0 "[ . 1 . 2]" 1 1437 1 63 LYS H 1 63 LYS HB2 . . 3.380 2.795 2.604 2.879 . 0 0 "[ . 1 . 2]" 1 1438 1 63 LYS H 1 63 LYS HB3 . . 3.880 3.817 3.689 3.907 0.027 13 0 "[ . 1 . 2]" 1 1439 1 63 LYS H 1 63 LYS QE . . 5.500 5.130 4.588 5.502 0.002 4 0 "[ . 1 . 2]" 1 1440 1 63 LYS H 1 63 LYS QG . . 3.660 3.409 2.690 3.670 0.010 17 0 "[ . 1 . 2]" 1 1441 1 63 LYS HA 1 63 LYS HD2 . . 5.320 4.302 2.603 5.005 . 0 0 "[ . 1 . 2]" 1 1442 1 63 LYS HA 1 63 LYS QD . . 4.630 3.875 2.549 4.295 . 0 0 "[ . 1 . 2]" 1 1443 1 63 LYS HA 1 63 LYS HD3 . . 5.320 4.493 3.641 4.675 . 0 0 "[ . 1 . 2]" 1 1444 1 63 LYS HA 1 63 LYS QG . . 3.320 2.289 2.135 2.598 . 0 0 "[ . 1 . 2]" 1 1445 1 63 LYS HA 1 64 GLY H . . 2.720 2.248 2.195 2.295 . 0 0 "[ . 1 . 2]" 1 1446 1 63 LYS HA 1 64 GLY HA3 . . 4.840 4.316 4.309 4.333 . 0 0 "[ . 1 . 2]" 1 1447 1 63 LYS HB2 1 63 LYS QE . . 4.820 2.864 2.101 3.500 . 0 0 "[ . 1 . 2]" 1 1448 1 63 LYS HB2 1 64 GLY H . . 4.340 4.060 3.700 4.204 . 0 0 "[ . 1 . 2]" 1 1449 1 63 LYS HB3 1 63 LYS QE . . 4.110 2.400 1.989 3.328 . 0 0 "[ . 1 . 2]" 1 1450 1 63 LYS HB3 1 64 GLY H . . 3.610 2.910 2.780 3.093 . 0 0 "[ . 1 . 2]" 1 1451 1 63 LYS QE 1 63 LYS QG . . 3.060 2.353 2.189 2.752 . 0 0 "[ . 1 . 2]" 1 1452 1 63 LYS QG 1 64 GLY H . . 4.220 3.792 3.484 4.223 0.003 9 0 "[ . 1 . 2]" 1 1453 1 64 GLY H 1 65 LYS H . . 4.650 4.367 4.337 4.384 . 0 0 "[ . 1 . 2]" 1 1454 1 64 GLY HA2 1 65 LYS H . . 3.020 2.659 2.517 2.765 . 0 0 "[ . 1 . 2]" 1 1455 1 64 GLY HA2 1 65 LYS HA . . 4.990 4.346 4.319 4.376 . 0 0 "[ . 1 . 2]" 1 1456 1 64 GLY HA2 1 65 LYS HG3 . . 4.480 4.112 3.966 4.241 . 0 0 "[ . 1 . 2]" 1 1457 1 64 GLY HA3 1 65 LYS H . . 3.100 2.471 2.377 2.606 . 0 0 "[ . 1 . 2]" 1 1458 1 64 GLY HA3 1 65 LYS HG3 . . 5.500 4.840 4.611 5.180 . 0 0 "[ . 1 . 2]" 1 1459 1 65 LYS H 1 65 LYS HB2 . . 3.210 2.480 2.344 2.584 . 0 0 "[ . 1 . 2]" 1 1460 1 65 LYS H 1 65 LYS HB3 . . 3.750 3.638 3.586 3.680 . 0 0 "[ . 1 . 2]" 1 1461 1 65 LYS H 1 65 LYS HD2 . . 5.330 5.063 4.963 5.190 . 0 0 "[ . 1 . 2]" 1 1462 1 65 LYS H 1 65 LYS HD3 . . 5.250 5.027 4.828 5.243 . 0 0 "[ . 1 . 2]" 1 1463 1 65 LYS H 1 65 LYS HE2 . . 5.140 4.328 4.228 4.433 . 0 0 "[ . 1 . 2]" 1 1464 1 65 LYS H 1 65 LYS HE3 . . 5.260 5.114 4.996 5.173 . 0 0 "[ . 1 . 2]" 1 1465 1 65 LYS H 1 65 LYS HG2 . . 3.580 3.291 3.087 3.494 . 0 0 "[ . 1 . 2]" 1 1466 1 65 LYS H 1 65 LYS HG3 . . 3.570 2.690 2.472 2.914 . 0 0 "[ . 1 . 2]" 1 1467 1 65 LYS HA 1 65 LYS HE2 . . 5.500 4.942 4.880 5.035 . 0 0 "[ . 1 . 2]" 1 1468 1 65 LYS HA 1 65 LYS HG2 . . 3.510 2.408 2.293 2.523 . 0 0 "[ . 1 . 2]" 1 1469 1 65 LYS HA 1 65 LYS HG3 . . 3.880 3.416 3.302 3.493 . 0 0 "[ . 1 . 2]" 1 1470 1 65 LYS HA 1 66 VAL H . . 2.670 2.205 2.144 2.350 . 0 0 "[ . 1 . 2]" 1 1471 1 65 LYS HA 1 66 VAL MG1 . . 4.290 3.761 3.565 3.970 . 0 0 "[ . 1 . 2]" 1 1472 1 65 LYS HA 1 66 VAL MG2 . . 3.880 3.579 3.427 3.714 . 0 0 "[ . 1 . 2]" 1 1473 1 65 LYS HB2 1 65 LYS HD2 . . 4.150 3.429 3.372 3.494 . 0 0 "[ . 1 . 2]" 1 1474 1 65 LYS HB2 1 65 LYS HD3 . . 4.010 3.847 3.796 3.895 . 0 0 "[ . 1 . 2]" 1 1475 1 65 LYS HB2 1 65 LYS HE2 . . 4.050 2.483 2.349 2.615 . 0 0 "[ . 1 . 2]" 1 1476 1 65 LYS HB2 1 65 LYS HE3 . . 4.050 2.781 2.614 2.856 . 0 0 "[ . 1 . 2]" 1 1477 1 65 LYS HB2 1 66 VAL H . . 4.340 4.044 3.602 4.293 . 0 0 "[ . 1 . 2]" 1 1478 1 65 LYS HB3 1 65 LYS HD2 . . 4.110 2.405 2.319 2.492 . 0 0 "[ . 1 . 2]" 1 1479 1 65 LYS HB3 1 65 LYS HD3 . . 4.050 3.579 3.555 3.609 . 0 0 "[ . 1 . 2]" 1 1480 1 65 LYS HB3 1 65 LYS HE2 . . 4.030 3.136 3.008 3.273 . 0 0 "[ . 1 . 2]" 1 1481 1 65 LYS HB3 1 65 LYS HE3 . . 4.200 2.464 2.313 2.602 . 0 0 "[ . 1 . 2]" 1 1482 1 65 LYS HB3 1 66 VAL H . . 3.850 3.057 2.591 3.383 . 0 0 "[ . 1 . 2]" 1 1483 1 65 LYS HE2 1 65 LYS HG2 . . 4.050 3.592 3.565 3.618 . 0 0 "[ . 1 . 2]" 1 1484 1 65 LYS HE2 1 65 LYS HG3 . . 3.890 2.418 2.331 2.508 . 0 0 "[ . 1 . 2]" 1 1485 1 65 LYS HE3 1 65 LYS HG2 . . 4.060 3.852 3.794 3.905 . 0 0 "[ . 1 . 2]" 1 1486 1 65 LYS HE3 1 65 LYS HG3 . . 4.190 3.432 3.368 3.490 . 0 0 "[ . 1 . 2]" 1 1487 1 65 LYS HG2 1 66 VAL H . . 4.600 4.321 4.172 4.391 . 0 0 "[ . 1 . 2]" 1 1488 1 65 LYS HG3 1 66 VAL H . . 5.360 5.260 5.095 5.369 0.009 14 0 "[ . 1 . 2]" 1 1489 1 66 VAL H 1 66 VAL MG1 . . 3.820 3.007 2.768 3.204 . 0 0 "[ . 1 . 2]" 1 1490 1 66 VAL H 1 66 VAL MG2 . . 3.000 2.086 1.902 2.312 . 0 0 "[ . 1 . 2]" 1 1491 1 66 VAL H 1 67 PRO HA . . 5.340 5.045 4.848 5.190 . 0 0 "[ . 1 . 2]" 1 1492 1 66 VAL H 1 67 PRO HD2 . . 5.190 4.809 4.766 4.834 . 0 0 "[ . 1 . 2]" 1 1493 1 66 VAL H 1 67 PRO HD3 . . 5.000 4.698 4.571 4.808 . 0 0 "[ . 1 . 2]" 1 1494 1 66 VAL HA 1 66 VAL MG1 . . 3.030 2.252 2.204 2.315 . 0 0 "[ . 1 . 2]" 1 1495 1 66 VAL HA 1 66 VAL MG2 . . 3.500 3.195 3.175 3.203 . 0 0 "[ . 1 . 2]" 1 1496 1 66 VAL HA 1 67 PRO HA . . 4.810 4.424 4.415 4.429 . 0 0 "[ . 1 . 2]" 1 1497 1 66 VAL HA 1 67 PRO HD2 . . 2.940 2.108 2.083 2.149 . 0 0 "[ . 1 . 2]" 1 1498 1 66 VAL HA 1 67 PRO HD3 . . 2.750 2.259 2.253 2.265 . 0 0 "[ . 1 . 2]" 1 1499 1 66 VAL HA 1 67 PRO HG2 . . 4.890 4.279 4.259 4.312 . 0 0 "[ . 1 . 2]" 1 1500 1 66 VAL HA 1 67 PRO HG3 . . 4.430 4.335 4.328 4.348 . 0 0 "[ . 1 . 2]" 1 1501 1 66 VAL HB 1 67 PRO HD2 . . 3.220 2.691 2.530 2.775 . 0 0 "[ . 1 . 2]" 1 1502 1 66 VAL HB 1 67 PRO HD3 . . 4.080 4.022 3.898 4.083 0.003 14 0 "[ . 1 . 2]" 1 1503 1 66 VAL HB 1 71 LEU MD2 . . 3.640 2.657 2.421 2.948 . 0 0 "[ . 1 . 2]" 1 1504 1 66 VAL MG1 1 67 PRO HD2 . . 3.990 3.186 2.988 3.317 . 0 0 "[ . 1 . 2]" 1 1505 1 66 VAL MG1 1 67 PRO HD3 . . 4.100 3.977 3.853 4.064 . 0 0 "[ . 1 . 2]" 1 1506 1 66 VAL MG2 1 67 PRO HD2 . . 4.300 4.066 3.921 4.151 . 0 0 "[ . 1 . 2]" 1 1507 1 66 VAL MG2 1 67 PRO HD3 . . 4.940 4.730 4.660 4.774 . 0 0 "[ . 1 . 2]" 1 1508 1 66 VAL MG2 1 68 ILE HA . . 4.840 4.269 4.039 4.570 . 0 0 "[ . 1 . 2]" 1 1509 1 67 PRO HA 1 68 ILE H . . 2.610 2.156 2.152 2.166 . 0 0 "[ . 1 . 2]" 1 1510 1 67 PRO HA 1 68 ILE HB . . 4.600 4.420 4.402 4.453 . 0 0 "[ . 1 . 2]" 1 1511 1 67 PRO HA 1 68 ILE MD . . 3.830 3.328 3.226 3.404 . 0 0 "[ . 1 . 2]" 1 1512 1 67 PRO HA 1 69 THR H . . 4.230 3.691 3.604 3.743 . 0 0 "[ . 1 . 2]" 1 1513 1 67 PRO HA 1 70 TYR H . . 5.270 4.529 4.501 4.595 . 0 0 "[ . 1 . 2]" 1 1514 1 67 PRO HA 1 70 TYR QD . . 5.500 4.879 4.598 5.222 . 0 0 "[ . 1 . 2]" 1 1515 1 67 PRO HB2 1 68 ILE H . . 4.280 3.737 3.684 3.820 . 0 0 "[ . 1 . 2]" 1 1516 1 67 PRO HB2 1 69 THR H . . 3.350 3.178 3.046 3.273 . 0 0 "[ . 1 . 2]" 1 1517 1 67 PRO HB2 1 70 TYR H . . 4.040 2.897 2.791 3.034 . 0 0 "[ . 1 . 2]" 1 1518 1 67 PRO HB2 1 70 TYR HB2 . . 4.250 3.205 3.096 3.336 . 0 0 "[ . 1 . 2]" 1 1519 1 67 PRO HB2 1 70 TYR HB3 . . 5.190 4.825 4.729 4.920 . 0 0 "[ . 1 . 2]" 1 1520 1 67 PRO HB2 1 70 TYR QD . . 3.590 2.298 1.996 2.736 . 0 0 "[ . 1 . 2]" 1 1521 1 67 PRO HB2 1 70 TYR QE . . 4.300 3.710 3.449 4.012 . 0 0 "[ . 1 . 2]" 1 1522 1 67 PRO HB2 1 71 LEU H . . 5.300 4.831 4.747 4.915 . 0 0 "[ . 1 . 2]" 1 1523 1 67 PRO HB3 1 68 ILE H . . 4.330 4.143 4.105 4.203 . 0 0 "[ . 1 . 2]" 1 1524 1 67 PRO HB3 1 69 THR H . . 4.650 4.397 4.297 4.459 . 0 0 "[ . 1 . 2]" 1 1525 1 67 PRO HB3 1 70 TYR H . . 4.750 4.617 4.520 4.747 . 0 0 "[ . 1 . 2]" 1 1526 1 67 PRO HB3 1 70 TYR QD . . 4.660 3.838 3.527 4.282 . 0 0 "[ . 1 . 2]" 1 1527 1 67 PRO HB3 1 70 TYR QE . . 5.100 4.466 4.129 4.893 . 0 0 "[ . 1 . 2]" 1 1528 1 67 PRO HD2 1 71 LEU MD1 . . 4.730 3.973 3.744 4.140 . 0 0 "[ . 1 . 2]" 1 1529 1 67 PRO HD2 1 71 LEU MD2 . . 5.300 4.145 3.997 4.307 . 0 0 "[ . 1 . 2]" 1 1530 1 67 PRO HG2 1 70 TYR H . . 4.020 3.463 3.344 3.596 . 0 0 "[ . 1 . 2]" 1 1531 1 67 PRO HG2 1 70 TYR HB2 . . 3.570 2.031 1.998 2.074 . 0 0 "[ . 1 . 2]" 1 1532 1 67 PRO HG2 1 70 TYR HB3 . . 4.200 3.480 3.421 3.536 . 0 0 "[ . 1 . 2]" 1 1533 1 67 PRO HG2 1 70 TYR QD . . 3.850 3.117 2.850 3.440 . 0 0 "[ . 1 . 2]" 1 1534 1 67 PRO HG2 1 70 TYR QE . . 4.890 4.515 4.315 4.733 . 0 0 "[ . 1 . 2]" 1 1535 1 67 PRO HG3 1 70 TYR H . . 5.120 4.854 4.723 5.003 . 0 0 "[ . 1 . 2]" 1 1536 1 67 PRO HG3 1 70 TYR HB2 . . 5.000 3.639 3.577 3.695 . 0 0 "[ . 1 . 2]" 1 1537 1 67 PRO HG3 1 70 TYR HB3 . . 4.910 4.855 4.783 4.913 0.003 11 0 "[ . 1 . 2]" 1 1538 1 67 PRO HG3 1 70 TYR QD . . 4.640 3.725 3.500 4.061 . 0 0 "[ . 1 . 2]" 1 1539 1 67 PRO HG3 1 70 TYR QE . . 4.830 4.302 4.055 4.636 . 0 0 "[ . 1 . 2]" 1 1540 1 68 ILE H 1 68 ILE HB . . 3.010 2.334 2.311 2.372 . 0 0 "[ . 1 . 2]" 1 1541 1 68 ILE H 1 68 ILE MD . . 3.010 1.883 1.867 1.942 . 0 0 "[ . 1 . 2]" 1 1542 1 68 ILE H 1 68 ILE HG12 . . 4.050 4.027 3.974 4.069 0.019 14 0 "[ . 1 . 2]" 1 1543 1 68 ILE H 1 68 ILE HG13 . . 3.500 3.375 3.299 3.441 . 0 0 "[ . 1 . 2]" 1 1544 1 68 ILE H 1 68 ILE MG . . 4.090 3.707 3.693 3.725 . 0 0 "[ . 1 . 2]" 1 1545 1 68 ILE H 1 69 THR H . . 2.910 2.668 2.622 2.723 . 0 0 "[ . 1 . 2]" 1 1546 1 68 ILE H 1 69 THR HA . . 5.300 5.251 5.209 5.295 . 0 0 "[ . 1 . 2]" 1 1547 1 68 ILE H 1 71 LEU MD1 . . 4.770 3.528 3.253 3.711 . 0 0 "[ . 1 . 2]" 1 1548 1 68 ILE HA 1 68 ILE MD . . 3.210 3.107 3.064 3.133 . 0 0 "[ . 1 . 2]" 1 1549 1 68 ILE HA 1 68 ILE HG12 . . 3.680 3.463 3.448 3.480 . 0 0 "[ . 1 . 2]" 1 1550 1 68 ILE HA 1 68 ILE HG13 . . 3.420 2.168 2.152 2.197 . 0 0 "[ . 1 . 2]" 1 1551 1 68 ILE HA 1 68 ILE MG . . 3.140 2.516 2.479 2.532 . 0 0 "[ . 1 . 2]" 1 1552 1 68 ILE HA 1 69 THR HA . . 4.980 4.847 4.829 4.867 . 0 0 "[ . 1 . 2]" 1 1553 1 68 ILE HA 1 70 TYR H . . 4.020 3.621 3.477 3.803 . 0 0 "[ . 1 . 2]" 1 1554 1 68 ILE HA 1 70 TYR HB2 . . 5.300 5.043 4.973 5.180 . 0 0 "[ . 1 . 2]" 1 1555 1 68 ILE HA 1 71 LEU H . . 4.050 2.972 2.943 3.006 . 0 0 "[ . 1 . 2]" 1 1556 1 68 ILE HA 1 71 LEU HB2 . . 3.230 2.612 2.455 2.683 . 0 0 "[ . 1 . 2]" 1 1557 1 68 ILE HA 1 71 LEU HB3 . . 4.300 4.243 4.063 4.304 0.004 6 0 "[ . 1 . 2]" 1 1558 1 68 ILE HA 1 71 LEU MD1 . . 2.950 2.165 1.957 2.347 . 0 0 "[ . 1 . 2]" 1 1559 1 68 ILE HA 1 71 LEU MD2 . . 4.620 4.354 4.200 4.530 . 0 0 "[ . 1 . 2]" 1 1560 1 68 ILE HA 1 71 LEU HG . . 3.900 3.117 2.985 3.316 . 0 0 "[ . 1 . 2]" 1 1561 1 68 ILE HB 1 68 ILE MD . . 2.960 2.210 2.162 2.290 . 0 0 "[ . 1 . 2]" 1 1562 1 68 ILE HB 1 69 THR H . . 3.900 2.888 2.834 2.947 . 0 0 "[ . 1 . 2]" 1 1563 1 68 ILE HB 1 71 LEU MD1 . . 4.700 4.478 4.239 4.696 . 0 0 "[ . 1 . 2]" 1 1564 1 68 ILE MD 1 69 THR H . . 4.190 4.011 3.969 4.077 . 0 0 "[ . 1 . 2]" 1 1565 1 68 ILE MD 1 71 LEU H . . 5.500 5.503 5.480 5.517 0.017 14 0 "[ . 1 . 2]" 1 1566 1 68 ILE HG12 1 68 ILE MG . . 2.750 2.055 2.023 2.110 . 0 0 "[ . 1 . 2]" 1 1567 1 68 ILE HG12 1 69 THR H . . 5.380 5.320 5.285 5.364 . 0 0 "[ . 1 . 2]" 1 1568 1 68 ILE HG12 1 71 LEU MD1 . . 4.520 4.229 3.995 4.507 . 0 0 "[ . 1 . 2]" 1 1569 1 68 ILE HG13 1 68 ILE MG . . 2.950 2.692 2.666 2.709 . 0 0 "[ . 1 . 2]" 1 1570 1 68 ILE HG13 1 69 THR H . . 5.050 4.944 4.910 4.972 . 0 0 "[ . 1 . 2]" 1 1571 1 68 ILE HG13 1 71 LEU H . . 5.500 5.058 5.003 5.109 . 0 0 "[ . 1 . 2]" 1 1572 1 68 ILE HG13 1 71 LEU MD1 . . 4.350 2.748 2.483 3.031 . 0 0 "[ . 1 . 2]" 1 1573 1 68 ILE MG 1 69 THR H . . 3.430 3.280 3.217 3.402 . 0 0 "[ . 1 . 2]" 1 1574 1 68 ILE MG 1 69 THR HA . . 3.730 3.245 3.178 3.322 . 0 0 "[ . 1 . 2]" 1 1575 1 68 ILE MG 1 69 THR HB . . 5.440 5.308 5.233 5.391 . 0 0 "[ . 1 . 2]" 1 1576 1 68 ILE MG 1 70 TYR H . . 4.480 4.336 4.181 4.457 . 0 0 "[ . 1 . 2]" 1 1577 1 69 THR H 1 69 THR HB . . 3.660 3.570 3.545 3.602 . 0 0 "[ . 1 . 2]" 1 1578 1 69 THR H 1 69 THR MG . . 2.920 2.628 2.350 2.760 . 0 0 "[ . 1 . 2]" 1 1579 1 69 THR H 1 70 TYR H . . 3.070 2.692 2.654 2.733 . 0 0 "[ . 1 . 2]" 1 1580 1 69 THR H 1 70 TYR HB2 . . 5.150 4.798 4.734 4.886 . 0 0 "[ . 1 . 2]" 1 1581 1 69 THR H 1 70 TYR QD . . 4.370 3.665 3.517 3.790 . 0 0 "[ . 1 . 2]" 1 1582 1 69 THR HA 1 69 THR HB . . 2.630 2.612 2.555 2.650 0.020 9 0 "[ . 1 . 2]" 1 1583 1 69 THR HA 1 69 THR MG . . 2.650 2.178 2.032 2.304 . 0 0 "[ . 1 . 2]" 1 1584 1 69 THR HA 1 70 TYR QD . . 5.240 4.388 4.067 4.620 . 0 0 "[ . 1 . 2]" 1 1585 1 69 THR HA 1 71 LEU H . . 4.050 4.031 3.955 4.060 0.010 15 0 "[ . 1 . 2]" 1 1586 1 69 THR HB 1 70 TYR H . . 4.550 3.811 3.603 3.965 . 0 0 "[ . 1 . 2]" 1 1587 1 69 THR HB 1 70 TYR QD . . 4.710 3.144 2.713 3.385 . 0 0 "[ . 1 . 2]" 1 1588 1 69 THR HB 1 70 TYR QE . . 5.110 3.729 3.224 3.988 . 0 0 "[ . 1 . 2]" 1 1589 1 69 THR HB 1 71 LEU H . . 5.500 5.355 5.175 5.442 . 0 0 "[ . 1 . 2]" 1 1590 1 69 THR MG 1 70 TYR H . . 4.360 4.252 4.173 4.322 . 0 0 "[ . 1 . 2]" 1 1591 1 69 THR MG 1 70 TYR QD . . 4.430 4.164 4.037 4.360 . 0 0 "[ . 1 . 2]" 1 1592 1 69 THR MG 1 70 TYR QE . . 4.980 4.494 4.281 4.715 . 0 0 "[ . 1 . 2]" 1 1593 1 70 TYR H 1 70 TYR HB2 . . 2.990 2.382 2.347 2.439 . 0 0 "[ . 1 . 2]" 1 1594 1 70 TYR H 1 70 TYR HB3 . . 3.720 3.621 3.600 3.657 . 0 0 "[ . 1 . 2]" 1 1595 1 70 TYR H 1 70 TYR QD . . 3.270 2.377 2.245 2.464 . 0 0 "[ . 1 . 2]" 1 1596 1 70 TYR H 1 70 TYR QE . . 4.790 4.708 4.590 4.794 0.004 9 0 "[ . 1 . 2]" 1 1597 1 70 TYR H 1 71 LEU H . . 2.870 2.143 2.059 2.247 . 0 0 "[ . 1 . 2]" 1 1598 1 70 TYR H 1 71 LEU HA . . 4.910 4.824 4.733 4.883 . 0 0 "[ . 1 . 2]" 1 1599 1 70 TYR H 1 71 LEU MD1 . . 4.290 4.102 3.984 4.225 . 0 0 "[ . 1 . 2]" 1 1600 1 70 TYR H 1 71 LEU MD2 . . 4.760 4.658 4.571 4.760 . 0 0 "[ . 1 . 2]" 1 1601 1 70 TYR H 1 71 LEU HG . . 3.610 3.321 3.203 3.440 . 0 0 "[ . 1 . 2]" 1 1602 1 70 TYR HA 1 70 TYR QD . . 3.940 3.047 2.920 3.108 . 0 0 "[ . 1 . 2]" 1 1603 1 70 TYR HA 1 70 TYR QE . . 4.800 4.609 4.574 4.633 . 0 0 "[ . 1 . 2]" 1 1604 1 70 TYR HA 1 71 LEU HG . . 4.820 4.734 4.663 4.785 . 0 0 "[ . 1 . 2]" 1 1605 1 70 TYR HB2 1 71 LEU H . . 4.140 3.340 3.278 3.444 . 0 0 "[ . 1 . 2]" 1 1606 1 70 TYR HB2 1 71 LEU MD1 . . 4.760 4.277 4.194 4.356 . 0 0 "[ . 1 . 2]" 1 1607 1 70 TYR HB2 1 71 LEU MD2 . . 3.960 3.739 3.616 3.843 . 0 0 "[ . 1 . 2]" 1 1608 1 70 TYR HB2 1 71 LEU HG . . 4.340 3.111 3.074 3.146 . 0 0 "[ . 1 . 2]" 1 1609 1 70 TYR HB3 1 71 LEU H . . 4.500 4.032 3.985 4.109 . 0 0 "[ . 1 . 2]" 1 1610 1 70 TYR HB3 1 71 LEU MD2 . . 4.110 3.810 3.669 3.939 . 0 0 "[ . 1 . 2]" 1 1611 1 70 TYR HB3 1 71 LEU HG . . 4.640 3.967 3.840 4.054 . 0 0 "[ . 1 . 2]" 1 1612 1 70 TYR QD 1 71 LEU MD1 . . 5.500 5.496 5.484 5.508 0.008 5 0 "[ . 1 . 2]" 1 1613 1 70 TYR QD 1 71 LEU MD2 . . 5.200 5.145 5.050 5.204 0.004 5 0 "[ . 1 . 2]" 1 1614 1 71 LEU H 1 71 LEU HB2 . . 3.100 2.746 2.711 2.770 . 0 0 "[ . 1 . 2]" 1 1615 1 71 LEU H 1 71 LEU HB3 . . 3.930 3.729 3.710 3.754 . 0 0 "[ . 1 . 2]" 1 1616 1 71 LEU H 1 71 LEU MD1 . . 3.970 3.431 3.349 3.521 . 0 0 "[ . 1 . 2]" 1 1617 1 71 LEU H 1 71 LEU MD2 . . 3.970 3.710 3.636 3.796 . 0 0 "[ . 1 . 2]" 1 1618 1 71 LEU H 1 71 LEU HG . . 3.240 2.352 2.304 2.450 . 0 0 "[ . 1 . 2]" 1 1619 1 71 LEU H 1 72 GLU H . . 4.670 4.517 4.487 4.541 . 0 0 "[ . 1 . 2]" 1 1620 1 71 LEU H 1 73 LEU MD2 . . 5.500 5.456 5.307 5.501 0.001 2 0 "[ . 1 . 2]" 1 1621 1 71 LEU HA 1 71 LEU MD1 . . 4.380 4.005 3.992 4.013 . 0 0 "[ . 1 . 2]" 1 1622 1 71 LEU HA 1 71 LEU MD2 . . 2.830 2.674 2.617 2.714 . 0 0 "[ . 1 . 2]" 1 1623 1 71 LEU HA 1 71 LEU HG . . 3.830 3.100 3.064 3.145 . 0 0 "[ . 1 . 2]" 1 1624 1 71 LEU HA 1 72 GLU H . . 2.760 2.249 2.203 2.309 . 0 0 "[ . 1 . 2]" 1 1625 1 71 LEU HA 1 72 GLU HB2 . . 5.180 4.588 4.508 4.628 . 0 0 "[ . 1 . 2]" 1 1626 1 71 LEU HA 1 72 GLU HB3 . . 4.900 4.357 4.310 4.447 . 0 0 "[ . 1 . 2]" 1 1627 1 71 LEU HB2 1 71 LEU MD1 . . 3.110 2.047 1.979 2.144 . 0 0 "[ . 1 . 2]" 1 1628 1 71 LEU HB2 1 72 GLU H . . 4.070 3.696 3.561 3.843 . 0 0 "[ . 1 . 2]" 1 1629 1 71 LEU HB3 1 71 LEU MD1 . . 3.180 2.609 2.547 2.681 . 0 0 "[ . 1 . 2]" 1 1630 1 71 LEU HB3 1 71 LEU MD2 . . 3.120 2.044 2.014 2.085 . 0 0 "[ . 1 . 2]" 1 1631 1 71 LEU HB3 1 72 GLU H . . 3.740 2.894 2.723 3.039 . 0 0 "[ . 1 . 2]" 1 1632 1 71 LEU HB3 1 72 GLU HA . . 5.020 4.767 4.689 4.818 . 0 0 "[ . 1 . 2]" 1 1633 1 71 LEU MD2 1 72 GLU H . . 4.040 3.962 3.813 4.023 . 0 0 "[ . 1 . 2]" 1 1634 1 71 LEU HG 1 72 GLU H . . 5.500 5.015 4.965 5.055 . 0 0 "[ . 1 . 2]" 1 1635 1 72 GLU H 1 72 GLU HB2 . . 3.660 3.260 3.151 3.347 . 0 0 "[ . 1 . 2]" 1 1636 1 72 GLU H 1 72 GLU HB3 . . 3.480 2.547 2.496 2.616 . 0 0 "[ . 1 . 2]" 1 1637 1 72 GLU H 1 72 GLU HG2 . . 4.910 4.299 4.258 4.408 . 0 0 "[ . 1 . 2]" 1 1638 1 72 GLU H 1 72 GLU HG3 . . 4.670 4.560 4.524 4.589 . 0 0 "[ . 1 . 2]" 1 1639 1 72 GLU H 1 73 LEU HA . . 5.350 4.588 4.482 4.705 . 0 0 "[ . 1 . 2]" 1 1640 1 72 GLU HA 1 72 GLU HG2 . . 3.700 3.542 3.503 3.587 . 0 0 "[ . 1 . 2]" 1 1641 1 72 GLU HA 1 72 GLU HG3 . . 3.250 2.599 2.510 2.637 . 0 0 "[ . 1 . 2]" 1 1642 1 72 GLU HA 1 73 LEU H . . 2.620 2.299 2.235 2.332 . 0 0 "[ . 1 . 2]" 1 1643 1 72 GLU HA 1 73 LEU HB2 . . 4.850 4.636 4.549 4.700 . 0 0 "[ . 1 . 2]" 1 1644 1 72 GLU HA 1 73 LEU MD2 . . 4.680 4.237 4.066 4.405 . 0 0 "[ . 1 . 2]" 1 1645 1 72 GLU HA 1 73 LEU HG . . 4.620 4.111 3.999 4.254 . 0 0 "[ . 1 . 2]" 1 1646 1 72 GLU HB2 1 72 GLU HG3 . . 2.910 2.608 2.576 2.647 . 0 0 "[ . 1 . 2]" 1 1647 1 72 GLU HB2 1 73 LEU H . . 4.630 4.530 4.467 4.565 . 0 0 "[ . 1 . 2]" 1 1648 1 72 GLU HB2 1 74 LEU MD2 . . 5.040 4.868 4.754 4.972 . 0 0 "[ . 1 . 2]" 1 1649 1 72 GLU HB3 1 73 LEU H . . 4.740 4.541 4.512 4.553 . 0 0 "[ . 1 . 2]" 1 1650 1 72 GLU HB3 1 74 LEU MD2 . . 4.780 3.603 3.472 3.727 . 0 0 "[ . 1 . 2]" 1 1651 1 72 GLU HB3 1 74 LEU HG . . 5.500 4.876 4.683 5.049 . 0 0 "[ . 1 . 2]" 1 1652 1 72 GLU HG2 1 73 LEU H . . 4.560 4.536 4.480 4.561 0.001 13 0 "[ . 1 . 2]" 1 1653 1 72 GLU HG2 1 74 LEU HA . . 4.920 3.785 3.636 3.927 . 0 0 "[ . 1 . 2]" 1 1654 1 72 GLU HG2 1 74 LEU MD2 . . 3.510 2.575 2.421 2.663 . 0 0 "[ . 1 . 2]" 1 1655 1 72 GLU HG2 1 74 LEU HG . . 4.700 4.249 4.085 4.424 . 0 0 "[ . 1 . 2]" 1 1656 1 72 GLU HG3 1 73 LEU H . . 3.960 3.854 3.624 3.958 . 0 0 "[ . 1 . 2]" 1 1657 1 72 GLU HG3 1 74 LEU MD2 . . 4.180 4.068 3.921 4.158 . 0 0 "[ . 1 . 2]" 1 1658 1 73 LEU H 1 73 LEU HB2 . . 2.990 2.740 2.659 2.807 . 0 0 "[ . 1 . 2]" 1 1659 1 73 LEU H 1 73 LEU HB3 . . 3.600 3.583 3.570 3.603 0.003 13 0 "[ . 1 . 2]" 1 1660 1 73 LEU H 1 73 LEU MD1 . . 4.030 3.707 3.645 3.784 . 0 0 "[ . 1 . 2]" 1 1661 1 73 LEU H 1 73 LEU MD2 . . 3.950 2.499 2.285 2.638 . 0 0 "[ . 1 . 2]" 1 1662 1 73 LEU H 1 73 LEU HG . . 3.200 2.081 1.986 2.196 . 0 0 "[ . 1 . 2]" 1 1663 1 73 LEU H 1 74 LEU H . . 4.740 4.379 4.306 4.441 . 0 0 "[ . 1 . 2]" 1 1664 1 73 LEU HA 1 73 LEU MD1 . . 3.910 3.789 3.732 3.835 . 0 0 "[ . 1 . 2]" 1 1665 1 73 LEU HA 1 73 LEU MD2 . . 2.920 2.025 1.948 2.145 . 0 0 "[ . 1 . 2]" 1 1666 1 73 LEU HA 1 73 LEU HG . . 3.820 3.404 3.356 3.458 . 0 0 "[ . 1 . 2]" 1 1667 1 73 LEU HA 1 74 LEU H . . 2.660 2.153 2.141 2.171 . 0 0 "[ . 1 . 2]" 1 1668 1 73 LEU HA 1 74 LEU MD2 . . 4.660 4.608 4.463 4.661 0.001 8 0 "[ . 1 . 2]" 1 1669 1 73 LEU HA 1 74 LEU HG . . 4.220 3.641 3.524 3.778 . 0 0 "[ . 1 . 2]" 1 1670 1 73 LEU HB2 1 73 LEU MD1 . . 3.520 2.407 2.338 2.474 . 0 0 "[ . 1 . 2]" 1 1671 1 73 LEU HB2 1 73 LEU MD2 . . 3.360 3.174 3.166 3.183 . 0 0 "[ . 1 . 2]" 1 1672 1 73 LEU HB2 1 74 LEU H . . 4.410 4.302 4.229 4.387 . 0 0 "[ . 1 . 2]" 1 1673 1 73 LEU HB3 1 73 LEU MD1 . . 3.580 2.303 2.214 2.352 . 0 0 "[ . 1 . 2]" 1 1674 1 73 LEU HB3 1 73 LEU MD2 . . 3.160 2.436 2.387 2.487 . 0 0 "[ . 1 . 2]" 1 1675 1 73 LEU HB3 1 74 LEU H . . 3.770 3.656 3.535 3.764 . 0 0 "[ . 1 . 2]" 1 1676 1 73 LEU MD1 1 74 LEU H . . 5.500 5.246 5.168 5.357 . 0 0 "[ . 1 . 2]" 1 1677 1 73 LEU MD2 1 74 LEU H . . 4.030 3.777 3.715 3.897 . 0 0 "[ . 1 . 2]" 1 1678 1 73 LEU HG 1 74 LEU H . . 5.460 5.409 5.360 5.455 . 0 0 "[ . 1 . 2]" 1 1679 1 74 LEU H 1 74 LEU HB2 . . 3.460 2.693 2.644 2.739 . 0 0 "[ . 1 . 2]" 1 1680 1 74 LEU H 1 74 LEU HB3 . . 3.620 3.594 3.579 3.618 . 0 0 "[ . 1 . 2]" 1 1681 1 74 LEU H 1 74 LEU MD1 . . 3.750 3.257 3.120 3.386 . 0 0 "[ . 1 . 2]" 1 1682 1 74 LEU H 1 74 LEU MD2 . . 3.740 3.310 3.215 3.422 . 0 0 "[ . 1 . 2]" 1 1683 1 74 LEU H 1 74 LEU HG . . 3.200 1.940 1.899 2.033 . 0 0 "[ . 1 . 2]" 1 1684 1 74 LEU HA 1 74 LEU MD1 . . 4.350 3.994 3.958 4.016 . 0 0 "[ . 1 . 2]" 1 1685 1 74 LEU HA 1 74 LEU MD2 . . 2.770 2.550 2.394 2.684 . 0 0 "[ . 1 . 2]" 1 1686 1 74 LEU HA 1 74 LEU HG . . 4.030 3.129 3.092 3.173 . 0 0 "[ . 1 . 2]" 1 1687 1 74 LEU HB2 1 74 LEU MD1 . . 2.880 2.230 2.073 2.294 . 0 0 "[ . 1 . 2]" 1 1688 1 74 LEU HB3 1 74 LEU MD1 . . 3.190 2.529 2.436 2.644 . 0 0 "[ . 1 . 2]" 1 1689 1 77 GLY QA 1 78 PRO QG . . 4.690 3.685 3.661 3.700 . 0 0 "[ . 1 . 2]" 1 1690 1 77 GLY HA2 1 78 PRO QD . . 3.080 2.184 2.005 2.629 . 0 0 "[ . 1 . 2]" 1 1691 1 77 GLY HA2 1 78 PRO QG . . 5.410 4.096 3.907 4.536 . 0 0 "[ . 1 . 2]" 1 1692 1 77 GLY HA3 1 78 PRO QD . . 3.080 2.448 1.969 2.717 . 0 0 "[ . 1 . 2]" 1 1693 1 77 GLY HA3 1 78 PRO QG . . 5.410 4.241 3.864 4.462 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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