NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
386497 | 1lm0 | 5407 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lm0 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 1699 _Distance_constraint_stats_list.Viol_count 2777 _Distance_constraint_stats_list.Viol_total 9859.533 _Distance_constraint_stats_list.Viol_max 0.972 _Distance_constraint_stats_list.Viol_rms 0.0358 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0047 _Distance_constraint_stats_list.Viol_average_violations_only 0.1014 _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 7 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]" 1 8 ASN 0.997 0.075 2 0 "[ . 1 . 2 . 3 .]" 1 9 LEU 0.611 0.255 16 0 "[ . 1 . 2 . 3 .]" 1 10 ASN 0.899 0.255 16 0 "[ . 1 . 2 . 3 .]" 1 11 LEU 2.457 0.462 33 0 "[ . 1 . 2 . 3 .]" 1 12 PHE 8.274 0.549 10 1 "[ . + . 2 . 3 .]" 1 13 TYR 0.436 0.089 31 0 "[ . 1 . 2 . 3 .]" 1 14 THR 4.267 0.972 22 4 "[ .* 1 . - 2 + *. 3 .]" 1 15 PRO 3.187 0.902 26 1 "[ . 1 . 2 .+ 3 .]" 1 16 SER 3.129 0.301 27 0 "[ . 1 . 2 . 3 .]" 1 17 GLU 5.159 0.902 26 1 "[ . 1 . 2 .+ 3 .]" 1 18 ILE 19.012 0.819 21 6 "[ . 1 . * 2+ . 3*-* *]" 1 19 VAL 6.784 0.652 34 3 "[ . * . 2 - . 3 +.]" 1 20 ASN 12.075 0.652 34 3 "[ . * . 2 - . 3 +.]" 1 21 GLY 14.741 0.834 4 2 "[ +. 1 -. 2 . 3 .]" 1 22 LYS 16.555 0.562 13 2 "[ . 1 + . 2- . 3 .]" 1 23 THR 1.141 0.096 26 0 "[ . 1 . 2 . 3 .]" 1 24 ASP 2.125 0.459 4 0 "[ . 1 . 2 . 3 .]" 1 25 THR 0.259 0.050 12 0 "[ . 1 . 2 . 3 .]" 1 26 GLY 3.319 0.459 4 0 "[ . 1 . 2 . 3 .]" 1 27 VAL 2.971 0.285 14 0 "[ . 1 . 2 . 3 .]" 1 28 LYS 8.492 0.834 4 2 "[ +. 1 -. 2 . 3 .]" 1 29 PRO 6.958 0.819 21 2 "[ . 1 . 2+ . 3 * .]" 1 30 GLU 5.301 0.812 11 5 "[* - . 1+ . 2 * 3 *.]" 1 31 ALA 0.852 0.122 27 0 "[ . 1 . 2 . 3 .]" 1 32 GLY 0.063 0.063 2 0 "[ . 1 . 2 . 3 .]" 1 33 GLN 6.619 0.812 11 5 "[* - . 1+ . 2 * 3 *.]" 1 34 ARG 4.758 0.970 7 2 "[ . + 1 . 2 . - 3 .]" 1 35 ILE 4.325 0.462 33 0 "[ . 1 . 2 . 3 .]" 1 36 ARG 16.983 0.554 15 2 "[ . - + 2 . 3 .]" 1 37 VAL 2.946 0.242 10 0 "[ . 1 . 2 . 3 .]" 1 38 GLY 5.591 0.228 31 0 "[ . 1 . 2 . 3 .]" 1 39 GLY 0.924 0.080 15 0 "[ . 1 . 2 . 3 .]" 1 40 MET 4.907 0.944 22 2 "[ . 1 . 2 + -. 3 .]" 1 41 VAL 2.553 0.142 24 0 "[ . 1 . 2 . 3 .]" 1 42 THR 3.573 0.830 13 1 "[ . 1 + . 2 . 3 .]" 1 43 VAL 4.011 0.352 2 0 "[ . 1 . 2 . 3 .]" 1 44 GLY 0.787 0.107 35 0 "[ . 1 . 2 . 3 .]" 1 45 SER 2.887 0.830 13 1 "[ . 1 + . 2 . 3 .]" 1 46 MET 7.769 0.925 5 4 "[ + 1** . 2 . - .]" 1 47 VAL 0.663 0.072 7 0 "[ . 1 . 2 . 3 .]" 1 48 ARG 6.823 0.506 15 2 "[ . 1 + 2 . -3 .]" 1 49 ASP 7.742 0.764 11 1 "[ . 1+ . 2 . 3 .]" 1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]" 1 51 ASN 0.617 0.125 23 0 "[ . 1 . 2 . 3 .]" 1 52 SER 5.156 0.415 30 0 "[ . 1 . 2 . 3 .]" 1 53 LEU 6.934 0.764 11 4 "[ **. 1+ . 2 - . 3 .]" 1 54 HIS 7.171 0.415 30 0 "[ . 1 . 2 . 3 .]" 1 55 VAL 3.695 0.506 15 2 "[ . 1 + 2 . -3 .]" 1 56 GLN 8.416 0.240 9 0 "[ . 1 . 2 . 3 .]" 1 57 PHE 5.692 0.397 2 0 "[ . 1 . 2 . 3 .]" 1 58 ALA 0.762 0.089 3 0 "[ . 1 . 2 . 3 .]" 1 59 VAL 3.323 0.137 3 0 "[ . 1 . 2 . 3 .]" 1 60 HIS 5.250 0.944 22 2 "[ . 1 . 2 + -. 3 .]" 1 61 ASP 9.175 0.972 22 4 "[ .* 1 . - 2 + *. 3 .]" 1 63 LEU 5.086 0.182 9 0 "[ . 1 . 2 . 3 .]" 1 64 GLY 0.233 0.047 33 0 "[ . 1 . 2 . 3 .]" 1 65 GLY 2.495 0.182 9 0 "[ . 1 . 2 . 3 .]" 1 66 GLU 1.196 0.181 2 0 "[ . 1 . 2 . 3 .]" 1 67 ILE 0.230 0.082 33 0 "[ . 1 . 2 . 3 .]" 1 68 LEU 14.494 0.785 2 9 "[ +* . * 1- * . **2** . 3 .]" 1 69 VAL 1.128 0.748 19 1 "[ . 1 . +2 . 3 .]" 1 70 THR 3.004 0.097 3 0 "[ . 1 . 2 . 3 .]" 1 71 TYR 10.019 0.790 29 6 "[ . * 1 -.* 2 . *+3 * .]" 1 72 ASP 2.648 0.246 27 0 "[ . 1 . 2 . 3 .]" 1 73 ASP 17.223 0.790 29 9 "[ **. * 1 -.* 2 * . *+3 * .]" 1 74 LEU 5.635 0.253 3 0 "[ . 1 . 2 . 3 .]" 1 75 LEU 9.028 0.404 22 0 "[ . 1 . 2 . 3 .]" 1 76 PRO 6.369 0.871 11 5 "[ - *1+ . * *. 3 .]" 1 77 ASP 11.603 0.819 18 8 "[ * .* - 1 * + 2 * . 3 * *.]" 1 78 LEU 11.622 0.652 6 7 "[ * .+ - 1 * * 2 * . 3 *.]" 1 79 PHE 8.886 0.871 11 5 "[ - *1+ . * *. 3 .]" 1 80 ARG 7.577 0.819 18 2 "[ . 1 . + 2 . 3 - .]" 1 81 GLU 8.478 0.925 5 5 "[ + 1** . - . * .]" 1 82 GLY 0.900 0.352 2 0 "[ . 1 . 2 . 3 .]" 1 83 GLN 15.344 0.503 20 1 "[ . 1 . + . 3 .]" 1 84 GLY 5.460 0.485 17 0 "[ . 1 . 2 . 3 .]" 1 85 ILE 4.521 0.586 32 1 "[ . 1 . 2 . 3 + .]" 1 86 VAL 1.257 0.079 18 0 "[ . 1 . 2 . 3 .]" 1 87 ALA 5.765 0.228 31 0 "[ . 1 . 2 . 3 .]" 1 88 GLN 3.540 0.182 28 0 "[ . 1 . 2 . 3 .]" 1 89 GLY 11.271 0.769 22 2 "[ . 1 - 2 + . 3 .]" 1 90 VAL 5.427 0.970 7 2 "[ . + 1 . 2 . - 3 .]" 1 91 LEU 4.059 0.225 7 0 "[ . 1 . 2 . 3 .]" 1 92 GLY 6.403 0.352 29 0 "[ . 1 . 2 . 3 .]" 1 93 GLU 2.607 0.219 19 0 "[ . 1 . 2 . 3 .]" 1 94 ASP 7.284 0.352 29 0 "[ . 1 . 2 . 3 .]" 1 95 GLY 2.245 0.199 29 0 "[ . 1 . 2 . 3 .]" 1 96 LYS 16.876 0.785 2 9 "[ +* . * 1- * . **2** . 3 .]" 1 97 LEU 2.832 0.748 19 1 "[ . 1 . +2 . 3 .]" 1 98 ALA 4.065 0.225 7 0 "[ . 1 . 2 . 3 .]" 1 99 ALA 0.364 0.048 19 0 "[ . 1 . 2 . 3 .]" 1 100 THR 6.403 0.769 22 1 "[ . 1 . 2 + . 3 .]" 1 101 GLU 1.296 0.350 27 0 "[ . 1 . 2 . 3 .]" 1 102 VAL 5.622 0.404 22 0 "[ . 1 . 2 . 3 .]" 1 103 LEU 0.823 0.060 20 0 "[ . 1 . 2 . 3 .]" 1 104 ALA 0.599 0.060 20 0 "[ . 1 . 2 . 3 .]" 1 105 LYS 0.035 0.013 18 0 "[ . 1 . 2 . 3 .]" 1 106 HIS 3.702 0.192 28 0 "[ . 1 . 2 . 3 .]" 1 107 ASP 0.320 0.071 34 0 "[ . 1 . 2 . 3 .]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 SER H 1 8 ASN H . . 4.900 3.789 2.603 4.738 . 0 0 "[ . 1 . 2 . 3 .]" 1 2 1 7 SER HA 1 8 ASN H . . 5.200 2.749 2.208 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1 3 1 8 ASN H 1 8 ASN HA . . 2.900 2.882 2.247 2.975 0.075 2 0 "[ . 1 . 2 . 3 .]" 1 4 1 8 ASN H 1 8 ASN HB3 . . 4.200 3.350 2.588 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1 5 1 9 LEU H 1 9 LEU HG . . 4.700 3.810 2.376 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1 6 1 9 LEU H 1 10 ASN H . . 4.900 3.653 2.090 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1 7 1 9 LEU HA 1 9 LEU MD1 . . 4.100 3.359 2.136 3.956 . 0 0 "[ . 1 . 2 . 3 .]" 1 8 1 9 LEU QB 1 10 ASN HA . . 4.600 4.354 3.162 4.855 0.255 16 0 "[ . 1 . 2 . 3 .]" 1 9 1 9 LEU MD2 1 10 ASN HA . . 6.800 5.025 2.367 6.347 . 0 0 "[ . 1 . 2 . 3 .]" 1 10 1 10 ASN H 1 11 LEU H . . 4.300 3.955 2.741 4.334 0.034 2 0 "[ . 1 . 2 . 3 .]" 1 11 1 10 ASN HA 1 10 ASN HD22 . . 5.400 4.659 3.492 5.461 0.061 1 0 "[ . 1 . 2 . 3 .]" 1 12 1 10 ASN HA 1 11 LEU H . . 3.900 2.369 2.172 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1 13 1 10 ASN HB3 1 11 LEU H . . 5.200 4.141 2.147 4.775 . 0 0 "[ . 1 . 2 . 3 .]" 1 14 1 11 LEU H 1 11 LEU HB2 . . 4.000 3.912 3.728 4.087 0.087 27 0 "[ . 1 . 2 . 3 .]" 1 15 1 11 LEU H 1 11 LEU MD1 . . 5.700 3.919 1.923 4.833 . 0 0 "[ . 1 . 2 . 3 .]" 1 16 1 11 LEU H 1 11 LEU MD2 . . 5.300 2.566 1.887 3.893 . 0 0 "[ . 1 . 2 . 3 .]" 1 17 1 11 LEU H 1 11 LEU HG . . 4.300 3.290 2.346 4.329 0.029 31 0 "[ . 1 . 2 . 3 .]" 1 18 1 11 LEU H 1 12 PHE H . . 5.500 4.434 4.229 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1 19 1 11 LEU H 1 35 ILE HA . . 4.300 2.844 2.204 3.321 . 0 0 "[ . 1 . 2 . 3 .]" 1 20 1 11 LEU H 1 35 ILE MG . . 7.000 3.734 3.031 4.568 . 0 0 "[ . 1 . 2 . 3 .]" 1 21 1 11 LEU H 1 36 ARG H . . 3.500 3.380 3.068 3.616 0.116 32 0 "[ . 1 . 2 . 3 .]" 1 22 1 11 LEU HA 1 11 LEU MD2 . . 4.800 3.760 3.551 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1 23 1 11 LEU HA 1 12 PHE H . . 3.100 2.394 2.191 2.958 . 0 0 "[ . 1 . 2 . 3 .]" 1 24 1 11 LEU QB 1 12 PHE H . . 6.200 2.415 2.046 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1 25 1 11 LEU HB2 1 12 PHE H . . 5.800 2.444 2.058 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1 26 1 11 LEU MD1 1 12 PHE H . . 6.700 3.654 2.364 4.948 . 0 0 "[ . 1 . 2 . 3 .]" 1 27 1 11 LEU MD1 1 13 TYR CG . . 9.000 4.072 2.829 5.881 . 0 0 "[ . 1 . 2 . 3 .]" 1 28 1 11 LEU MD2 1 12 PHE H . . 7.000 4.305 2.599 5.025 . 0 0 "[ . 1 . 2 . 3 .]" 1 29 1 11 LEU MD2 1 13 TYR CG . . 9.000 4.609 2.695 6.187 . 0 0 "[ . 1 . 2 . 3 .]" 1 30 1 11 LEU MD2 1 35 ILE HB . . 5.000 4.080 2.271 5.462 0.462 33 0 "[ . 1 . 2 . 3 .]" 1 31 1 11 LEU MD2 1 35 ILE MG . . 6.200 3.359 2.095 5.766 . 0 0 "[ . 1 . 2 . 3 .]" 1 32 1 11 LEU HG 1 12 PHE H . . 6.000 3.753 2.669 4.752 . 0 0 "[ . 1 . 2 . 3 .]" 1 33 1 11 LEU HG 1 13 TYR CG . . 8.000 4.615 3.933 5.739 . 0 0 "[ . 1 . 2 . 3 .]" 1 34 1 11 LEU HG 1 13 TYR QB . . 6.000 4.081 2.819 5.298 . 0 0 "[ . 1 . 2 . 3 .]" 1 35 1 12 PHE CG 1 36 ARG HB2 . . 8.000 3.209 2.736 3.435 . 0 0 "[ . 1 . 2 . 3 .]" 1 36 1 12 PHE CG 1 36 ARG QD . . 9.000 3.289 2.727 4.267 . 0 0 "[ . 1 . 2 . 3 .]" 1 37 1 12 PHE CZ 1 12 PHE H . . 7.000 5.345 5.019 6.035 . 0 0 "[ . 1 . 2 . 3 .]" 1 38 1 12 PHE CZ 1 36 ARG QD . . 9.000 2.778 2.487 3.303 . 0 0 "[ . 1 . 2 . 3 .]" 1 39 1 12 PHE CZ 1 88 GLN QE . . 7.400 6.108 4.714 6.726 . 0 0 "[ . 1 . 2 . 3 .]" 1 40 1 12 PHE CZ 1 103 LEU MD1 . . 9.000 6.412 5.400 7.240 . 0 0 "[ . 1 . 2 . 3 .]" 1 41 1 12 PHE CZ 1 103 LEU MD2 . . 9.000 4.082 2.894 5.015 . 0 0 "[ . 1 . 2 . 3 .]" 1 42 1 12 PHE H 1 12 PHE HB2 . . 4.200 2.428 2.268 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1 43 1 12 PHE H 1 12 PHE HB3 . . 4.400 3.608 3.479 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1 44 1 12 PHE H 1 13 TYR H . . 6.000 4.447 4.210 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 45 1 12 PHE HA 1 13 TYR H . . 3.200 2.161 2.101 2.239 . 0 0 "[ . 1 . 2 . 3 .]" 1 46 1 12 PHE HA 1 36 ARG H . . 3.400 3.358 3.009 3.535 0.135 25 0 "[ . 1 . 2 . 3 .]" 1 47 1 12 PHE HA 1 36 ARG HB2 . . 6.000 2.092 1.994 2.218 . 0 0 "[ . 1 . 2 . 3 .]" 1 48 1 12 PHE HA 1 36 ARG HB3 . . 6.000 3.722 3.513 3.974 . 0 0 "[ . 1 . 2 . 3 .]" 1 49 1 12 PHE HA 1 36 ARG QD . . 7.000 3.854 3.034 4.811 . 0 0 "[ . 1 . 2 . 3 .]" 1 50 1 12 PHE HA 1 36 ARG HG2 . . 6.000 4.864 3.861 5.097 . 0 0 "[ . 1 . 2 . 3 .]" 1 51 1 12 PHE HA 1 36 ARG HG3 . . 6.000 3.767 3.214 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1 52 1 12 PHE HB2 1 13 TYR H . . 5.900 4.331 4.141 4.604 . 0 0 "[ . 1 . 2 . 3 .]" 1 53 1 12 PHE HB2 1 36 ARG HB3 . . 6.000 5.961 4.962 6.382 0.382 2 0 "[ . 1 . 2 . 3 .]" 1 54 1 12 PHE HB2 1 36 ARG HG3 . . 6.000 5.876 4.528 6.549 0.549 10 1 "[ . + . 2 . 3 .]" 1 55 1 12 PHE HB3 1 13 TYR H . . 5.600 3.459 3.073 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1 56 1 12 PHE HB3 1 36 ARG HB2 . . 6.000 3.913 3.636 4.096 . 0 0 "[ . 1 . 2 . 3 .]" 1 57 1 12 PHE HB3 1 36 ARG HB3 . . 6.000 5.142 4.681 5.472 . 0 0 "[ . 1 . 2 . 3 .]" 1 58 1 12 PHE HZ 1 36 ARG HG2 . . 6.000 5.812 4.780 6.239 0.239 24 0 "[ . 1 . 2 . 3 .]" 1 59 1 12 PHE HZ 1 86 VAL MG1 . . 7.000 4.712 3.938 5.581 . 0 0 "[ . 1 . 2 . 3 .]" 1 60 1 12 PHE HZ 1 86 VAL MG2 . . 7.000 3.367 2.837 4.254 . 0 0 "[ . 1 . 2 . 3 .]" 1 61 1 12 PHE HZ 1 88 GLN QE . . 6.000 5.605 4.121 6.182 0.182 28 0 "[ . 1 . 2 . 3 .]" 1 62 1 13 TYR CG 1 14 THR H . . 8.000 3.524 2.992 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1 63 1 13 TYR CG 1 17 GLU HB2 . . 8.000 5.147 3.413 6.189 . 0 0 "[ . 1 . 2 . 3 .]" 1 64 1 13 TYR CG 1 35 ILE HB . . 8.000 5.247 4.255 6.179 . 0 0 "[ . 1 . 2 . 3 .]" 1 65 1 13 TYR CG 1 35 ILE MD . . 9.000 4.665 3.713 6.740 . 0 0 "[ . 1 . 2 . 3 .]" 1 66 1 13 TYR CG 1 35 ILE MG . . 9.000 5.273 4.332 6.244 . 0 0 "[ . 1 . 2 . 3 .]" 1 67 1 13 TYR CZ 1 13 TYR H . . 7.000 6.581 4.656 6.979 . 0 0 "[ . 1 . 2 . 3 .]" 1 68 1 13 TYR H 1 13 TYR QB . . 3.600 2.515 2.321 3.259 . 0 0 "[ . 1 . 2 . 3 .]" 1 69 1 13 TYR H 1 14 THR H . . 6.000 4.478 4.386 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1 70 1 13 TYR H 1 36 ARG H . . 3.800 3.742 3.526 3.889 0.089 31 0 "[ . 1 . 2 . 3 .]" 1 71 1 13 TYR H 1 37 VAL HA . . 3.300 3.074 2.461 3.322 0.022 30 0 "[ . 1 . 2 . 3 .]" 1 72 1 13 TYR H 1 38 GLY H . . 3.600 3.415 3.154 3.624 0.024 31 0 "[ . 1 . 2 . 3 .]" 1 73 1 13 TYR HA 1 14 THR H . . 3.400 2.364 2.177 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1 74 1 13 TYR QB 1 14 THR H . . 4.700 2.892 2.040 3.376 . 0 0 "[ . 1 . 2 . 3 .]" 1 75 1 13 TYR QB 1 18 ILE MD . . 7.000 3.703 2.577 4.895 . 0 0 "[ . 1 . 2 . 3 .]" 1 76 1 14 THR H 1 14 THR MG . . 4.300 2.970 2.200 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1 77 1 14 THR H 1 17 GLU H . . 6.000 4.370 3.665 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1 78 1 14 THR H 1 17 GLU HB3 . . 5.300 3.844 2.808 4.921 . 0 0 "[ . 1 . 2 . 3 .]" 1 79 1 14 THR HA 1 14 THR MG . . 3.600 2.402 2.205 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1 80 1 14 THR HA 1 15 PRO QD . . 4.700 2.106 2.044 2.201 . 0 0 "[ . 1 . 2 . 3 .]" 1 81 1 14 THR HA 1 15 PRO HG2 . . 6.000 4.443 4.317 4.631 . 0 0 "[ . 1 . 2 . 3 .]" 1 82 1 14 THR HA 1 15 PRO HG3 . . 6.000 4.602 4.419 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1 83 1 14 THR HA 1 37 VAL QG . . 7.000 4.063 3.505 5.108 . 0 0 "[ . 1 . 2 . 3 .]" 1 84 1 14 THR HA 1 38 GLY H . . 3.500 3.252 2.778 3.522 0.022 35 0 "[ . 1 . 2 . 3 .]" 1 85 1 14 THR HB 1 15 PRO QD . . 5.200 3.260 2.229 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1 86 1 14 THR HB 1 16 SER H . . 6.000 3.561 2.419 4.940 . 0 0 "[ . 1 . 2 . 3 .]" 1 87 1 14 THR HB 1 61 ASP HB2 . . 6.000 4.680 2.277 6.972 0.972 22 4 "[ .* 1 . - 2 + *. 3 .]" 1 88 1 14 THR MG 1 15 PRO QD . . 6.500 2.793 2.156 3.500 . 0 0 "[ . 1 . 2 . 3 .]" 1 89 1 14 THR MG 1 15 PRO HG2 . . 7.000 4.377 3.101 5.668 . 0 0 "[ . 1 . 2 . 3 .]" 1 90 1 14 THR MG 1 17 GLU H . . 6.100 3.689 2.013 4.870 . 0 0 "[ . 1 . 2 . 3 .]" 1 91 1 14 THR MG 1 17 GLU HB2 . . 7.000 4.018 2.124 5.260 . 0 0 "[ . 1 . 2 . 3 .]" 1 92 1 15 PRO HA 1 15 PRO QD . . 4.000 3.182 2.660 3.319 . 0 0 "[ . 1 . 2 . 3 .]" 1 93 1 15 PRO HA 1 16 SER H . . 4.500 3.563 2.209 3.676 . 0 0 "[ . 1 . 2 . 3 .]" 1 94 1 15 PRO HA 1 17 GLU H . . 6.000 4.139 3.613 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1 95 1 15 PRO HA 1 18 ILE H . . 5.400 3.516 2.985 5.401 0.001 3 0 "[ . 1 . 2 . 3 .]" 1 96 1 15 PRO HA 1 18 ILE MD . . 5.400 2.575 2.034 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1 97 1 15 PRO HA 1 18 ILE HG12 . . 6.000 2.442 2.122 4.563 . 0 0 "[ . 1 . 2 . 3 .]" 1 98 1 15 PRO HA 1 18 ILE HG13 . . 6.000 2.855 2.272 5.357 . 0 0 "[ . 1 . 2 . 3 .]" 1 99 1 15 PRO HA 1 18 ILE MG . . 7.000 4.314 3.939 5.856 . 0 0 "[ . 1 . 2 . 3 .]" 1 100 1 15 PRO HA 1 37 VAL QG . . 7.000 2.684 2.208 4.143 . 0 0 "[ . 1 . 2 . 3 .]" 1 101 1 15 PRO HA 1 67 ILE MG . . 6.300 3.204 2.452 5.269 . 0 0 "[ . 1 . 2 . 3 .]" 1 102 1 15 PRO QB 1 16 SER H . . 5.400 3.171 2.673 3.928 . 0 0 "[ . 1 . 2 . 3 .]" 1 103 1 15 PRO QB 1 18 ILE MD . . 8.000 3.437 2.138 3.826 . 0 0 "[ . 1 . 2 . 3 .]" 1 104 1 15 PRO QB 1 18 ILE HG12 . . 7.000 4.060 3.065 4.641 . 0 0 "[ . 1 . 2 . 3 .]" 1 105 1 15 PRO QB 1 18 ILE HG13 . . 7.000 3.994 3.449 5.357 . 0 0 "[ . 1 . 2 . 3 .]" 1 106 1 15 PRO QB 1 37 VAL QG . . 8.000 2.388 2.018 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1 107 1 15 PRO QB 1 59 VAL QG . . 8.000 2.647 2.035 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1 108 1 15 PRO QB 1 60 HIS HA . . 7.000 3.006 2.152 4.148 . 0 0 "[ . 1 . 2 . 3 .]" 1 109 1 15 PRO QB 1 66 GLU HA . . 7.000 3.784 2.662 5.224 . 0 0 "[ . 1 . 2 . 3 .]" 1 110 1 15 PRO QB 1 67 ILE H . . 7.000 3.301 2.435 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1 111 1 15 PRO QB 1 67 ILE MG . . 7.300 2.434 2.072 3.129 . 0 0 "[ . 1 . 2 . 3 .]" 1 112 1 15 PRO QD 1 16 SER H . . 6.000 3.020 2.709 3.913 . 0 0 "[ . 1 . 2 . 3 .]" 1 113 1 15 PRO QD 1 17 GLU HB2 . . 6.000 5.837 5.203 6.902 0.902 26 1 "[ . 1 . 2 .+ 3 .]" 1 114 1 15 PRO QD 1 37 VAL QG . . 6.500 2.574 2.160 3.894 . 0 0 "[ . 1 . 2 . 3 .]" 1 115 1 15 PRO QD 1 39 GLY HA3 . . 6.000 2.631 2.127 3.101 . 0 0 "[ . 1 . 2 . 3 .]" 1 116 1 15 PRO HG2 1 16 SER H . . 6.000 2.589 1.984 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1 117 1 15 PRO HG2 1 37 VAL QG . . 6.800 4.267 3.389 5.595 . 0 0 "[ . 1 . 2 . 3 .]" 1 118 1 15 PRO HG2 1 59 VAL QG . . 5.900 3.491 2.155 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1 119 1 15 PRO HG2 1 60 HIS HA . . 6.000 3.122 2.248 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1 120 1 15 PRO HG3 1 16 SER H . . 6.000 4.115 3.668 5.534 . 0 0 "[ . 1 . 2 . 3 .]" 1 121 1 15 PRO HG3 1 37 VAL QG . . 6.600 3.325 2.039 4.754 . 0 0 "[ . 1 . 2 . 3 .]" 1 122 1 15 PRO HG3 1 59 VAL QG . . 5.600 2.308 1.986 3.001 . 0 0 "[ . 1 . 2 . 3 .]" 1 123 1 16 SER H 1 17 GLU H . . 3.700 2.874 2.682 3.320 . 0 0 "[ . 1 . 2 . 3 .]" 1 124 1 16 SER H 1 18 ILE H . . 6.000 4.442 4.149 4.852 . 0 0 "[ . 1 . 2 . 3 .]" 1 125 1 16 SER H 1 65 GLY H . . 5.800 4.980 3.907 5.853 0.053 13 0 "[ . 1 . 2 . 3 .]" 1 126 1 16 SER H 1 65 GLY QA . . 5.900 4.246 2.414 6.010 0.110 21 0 "[ . 1 . 2 . 3 .]" 1 127 1 16 SER HA 1 17 GLU H . . 4.400 3.554 3.434 3.668 . 0 0 "[ . 1 . 2 . 3 .]" 1 128 1 16 SER HA 1 18 ILE H . . 4.900 4.410 3.549 4.932 0.032 19 0 "[ . 1 . 2 . 3 .]" 1 129 1 16 SER HA 1 19 VAL H . . 5.700 3.957 3.257 4.951 . 0 0 "[ . 1 . 2 . 3 .]" 1 130 1 16 SER HA 1 19 VAL HB . . 4.900 3.532 2.418 5.006 0.106 30 0 "[ . 1 . 2 . 3 .]" 1 131 1 16 SER HA 1 19 VAL MG1 . . 5.900 3.575 2.186 4.579 . 0 0 "[ . 1 . 2 . 3 .]" 1 132 1 16 SER HA 1 19 VAL MG2 . . 7.000 3.500 2.107 5.061 . 0 0 "[ . 1 . 2 . 3 .]" 1 133 1 16 SER HA 1 20 ASN HD21 . . 6.000 4.228 3.265 5.300 . 0 0 "[ . 1 . 2 . 3 .]" 1 134 1 16 SER HA 1 20 ASN HD22 . . 6.000 4.559 3.712 5.700 . 0 0 "[ . 1 . 2 . 3 .]" 1 135 1 16 SER HA 1 63 LEU QD . . 6.700 5.517 4.467 6.163 . 0 0 "[ . 1 . 2 . 3 .]" 1 136 1 16 SER HA 1 65 GLY H . . 5.600 3.747 2.231 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1 137 1 16 SER HA 1 65 GLY QA . . 3.800 2.440 2.036 3.681 . 0 0 "[ . 1 . 2 . 3 .]" 1 138 1 16 SER QB 1 17 GLU H . . 4.200 2.992 2.420 3.793 . 0 0 "[ . 1 . 2 . 3 .]" 1 139 1 16 SER QB 1 18 ILE H . . 5.000 4.960 4.398 5.301 0.301 27 0 "[ . 1 . 2 . 3 .]" 1 140 1 16 SER QB 1 19 VAL MG1 . . 7.000 4.717 3.124 5.684 . 0 0 "[ . 1 . 2 . 3 .]" 1 141 1 16 SER QB 1 20 ASN HD21 . . 6.000 4.374 3.094 5.558 . 0 0 "[ . 1 . 2 . 3 .]" 1 142 1 16 SER QB 1 61 ASP HB3 . . 6.000 2.998 2.048 5.572 . 0 0 "[ . 1 . 2 . 3 .]" 1 143 1 16 SER QB 1 63 LEU QD . . 6.500 3.679 2.627 5.773 . 0 0 "[ . 1 . 2 . 3 .]" 1 144 1 16 SER QB 1 65 GLY QA . . 6.000 3.318 2.446 4.817 . 0 0 "[ . 1 . 2 . 3 .]" 1 145 1 17 GLU H 1 17 GLU HB3 . . 4.000 2.803 2.427 3.451 . 0 0 "[ . 1 . 2 . 3 .]" 1 146 1 17 GLU H 1 17 GLU QG . . 4.300 3.987 3.691 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1 147 1 17 GLU H 1 18 ILE H . . 3.100 2.663 2.295 3.079 . 0 0 "[ . 1 . 2 . 3 .]" 1 148 1 17 GLU H 1 18 ILE HG12 . . 6.000 4.102 3.568 5.268 . 0 0 "[ . 1 . 2 . 3 .]" 1 149 1 17 GLU HA 1 18 ILE H . . 5.800 3.533 3.215 3.632 . 0 0 "[ . 1 . 2 . 3 .]" 1 150 1 17 GLU HA 1 19 VAL H . . 6.000 3.902 3.377 4.416 . 0 0 "[ . 1 . 2 . 3 .]" 1 151 1 17 GLU HA 1 20 ASN H . . 5.400 4.134 3.421 5.222 . 0 0 "[ . 1 . 2 . 3 .]" 1 152 1 17 GLU HB2 1 18 ILE H . . 5.900 3.657 2.795 4.561 . 0 0 "[ . 1 . 2 . 3 .]" 1 153 1 17 GLU HB2 1 18 ILE MD . . 7.000 5.821 2.878 6.858 . 0 0 "[ . 1 . 2 . 3 .]" 1 154 1 17 GLU HB3 1 17 GLU QG . . 2.800 2.208 2.117 2.365 . 0 0 "[ . 1 . 2 . 3 .]" 1 155 1 17 GLU HB3 1 18 ILE H . . 5.500 2.721 2.254 4.009 . 0 0 "[ . 1 . 2 . 3 .]" 1 156 1 17 GLU QG 1 18 ILE H . . 6.000 3.966 3.368 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1 157 1 17 GLU QG 1 22 LYS HA . . 6.000 5.963 5.476 6.233 0.233 28 0 "[ . 1 . 2 . 3 .]" 1 158 1 18 ILE H 1 18 ILE HB . . 3.900 3.685 3.591 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1 159 1 18 ILE H 1 18 ILE MD . . 5.300 3.557 1.733 4.068 . 0 0 "[ . 1 . 2 . 3 .]" 1 160 1 18 ILE H 1 18 ILE HG12 . . 4.200 2.195 1.989 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1 161 1 18 ILE H 1 18 ILE HG13 . . 4.000 2.956 2.572 3.912 . 0 0 "[ . 1 . 2 . 3 .]" 1 162 1 18 ILE H 1 18 ILE MG . . 4.800 2.690 2.215 3.437 . 0 0 "[ . 1 . 2 . 3 .]" 1 163 1 18 ILE H 1 19 VAL H . . 3.700 2.894 2.097 3.309 . 0 0 "[ . 1 . 2 . 3 .]" 1 164 1 18 ILE H 1 19 VAL MG1 . . 7.000 5.098 3.112 6.219 . 0 0 "[ . 1 . 2 . 3 .]" 1 165 1 18 ILE H 1 20 ASN H . . 6.000 4.694 4.141 5.789 . 0 0 "[ . 1 . 2 . 3 .]" 1 166 1 18 ILE HA 1 18 ILE HG12 . . 4.200 3.730 3.650 3.829 . 0 0 "[ . 1 . 2 . 3 .]" 1 167 1 18 ILE HA 1 18 ILE HG13 . . 3.600 3.774 3.630 4.178 0.578 18 4 "[ . 1 . + 2 . 3* * -]" 1 168 1 18 ILE HA 1 19 VAL H . . 4.900 3.073 2.724 3.526 . 0 0 "[ . 1 . 2 . 3 .]" 1 169 1 18 ILE HA 1 20 ASN H . . 6.000 4.220 3.431 5.368 . 0 0 "[ . 1 . 2 . 3 .]" 1 170 1 18 ILE HA 1 22 LYS QG . . 7.000 3.375 2.082 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1 171 1 18 ILE HA 1 23 THR HB . . 6.000 3.852 2.989 5.308 . 0 0 "[ . 1 . 2 . 3 .]" 1 172 1 18 ILE HA 1 29 PRO HD2 . . 6.000 6.053 5.084 6.819 0.819 21 2 "[ . 1 . 2+ . 3 - .]" 1 173 1 18 ILE HB 1 18 ILE HG12 . . 2.900 2.969 2.423 3.055 0.155 3 0 "[ . 1 . 2 . 3 .]" 1 174 1 18 ILE HB 1 19 VAL H . . 4.600 4.395 4.041 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1 175 1 18 ILE HB 1 23 THR HB . . 6.000 2.660 1.998 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1 176 1 18 ILE HB 1 67 ILE QG . . 7.000 3.649 2.934 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1 177 1 18 ILE MD 1 19 VAL H . . 7.000 5.033 4.102 5.548 . 0 0 "[ . 1 . 2 . 3 .]" 1 178 1 18 ILE MD 1 35 ILE MD . . 5.000 2.506 1.957 3.572 . 0 0 "[ . 1 . 2 . 3 .]" 1 179 1 18 ILE MD 1 37 VAL HB . . 6.200 2.690 2.170 3.693 . 0 0 "[ . 1 . 2 . 3 .]" 1 180 1 18 ILE MD 1 37 VAL QG . . 5.400 2.312 1.946 2.812 . 0 0 "[ . 1 . 2 . 3 .]" 1 181 1 18 ILE HG12 1 19 VAL H . . 6.000 4.325 3.253 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1 182 1 18 ILE HG12 1 37 VAL QG . . 6.000 3.683 2.823 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1 183 1 18 ILE HG13 1 18 ILE MG . . 3.400 3.147 2.327 3.249 . 0 0 "[ . 1 . 2 . 3 .]" 1 184 1 18 ILE HG13 1 19 VAL H . . 6.000 4.019 2.805 5.667 . 0 0 "[ . 1 . 2 . 3 .]" 1 185 1 18 ILE MG 1 19 VAL H . . 6.900 4.388 4.245 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1 186 1 18 ILE MG 1 22 LYS HB3 . . 7.000 2.652 2.062 3.339 . 0 0 "[ . 1 . 2 . 3 .]" 1 187 1 18 ILE MG 1 22 LYS HD2 . . 7.000 4.283 2.313 5.802 . 0 0 "[ . 1 . 2 . 3 .]" 1 188 1 18 ILE MG 1 29 PRO HD2 . . 7.000 5.310 4.538 5.839 . 0 0 "[ . 1 . 2 . 3 .]" 1 189 1 18 ILE MG 1 29 PRO HD3 . . 6.800 4.846 3.592 5.648 . 0 0 "[ . 1 . 2 . 3 .]" 1 190 1 19 VAL H 1 19 VAL HB . . 3.800 2.779 2.271 3.835 0.035 13 0 "[ . 1 . 2 . 3 .]" 1 191 1 19 VAL H 1 19 VAL MG1 . . 4.500 3.179 2.149 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1 192 1 19 VAL H 1 20 ASN H . . 3.400 2.273 1.916 2.761 . 0 0 "[ . 1 . 2 . 3 .]" 1 193 1 19 VAL H 1 20 ASN HD22 . . 5.100 5.136 4.492 5.752 0.652 34 3 "[ . * . 2 - . 3 +.]" 1 194 1 19 VAL H 1 21 GLY H . . 6.000 5.321 3.368 6.068 0.068 14 0 "[ . 1 . 2 . 3 .]" 1 195 1 19 VAL HA 1 19 VAL MG1 . . 3.600 2.749 2.245 3.258 . 0 0 "[ . 1 . 2 . 3 .]" 1 196 1 19 VAL HA 1 20 ASN H . . 5.000 3.560 3.395 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1 197 1 19 VAL HA 1 67 ILE MD . . 7.000 3.827 2.884 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1 198 1 19 VAL HB 1 20 ASN H . . 4.700 3.365 2.050 4.172 . 0 0 "[ . 1 . 2 . 3 .]" 1 199 1 19 VAL HB 1 20 ASN HD22 . . 5.500 4.251 2.633 5.547 0.047 19 0 "[ . 1 . 2 . 3 .]" 1 200 1 19 VAL HB 1 67 ILE HB . . 6.000 4.847 3.279 6.070 0.070 6 0 "[ . 1 . 2 . 3 .]" 1 201 1 19 VAL HB 1 67 ILE MD . . 6.400 4.949 3.863 5.451 . 0 0 "[ . 1 . 2 . 3 .]" 1 202 1 19 VAL MG1 1 20 ASN H . . 5.300 3.078 1.817 4.329 . 0 0 "[ . 1 . 2 . 3 .]" 1 203 1 19 VAL MG1 1 20 ASN HD21 . . 7.000 3.230 2.206 5.223 . 0 0 "[ . 1 . 2 . 3 .]" 1 204 1 19 VAL MG1 1 20 ASN HD22 . . 6.300 3.179 2.380 5.454 . 0 0 "[ . 1 . 2 . 3 .]" 1 205 1 19 VAL MG1 1 22 LYS H . . 7.000 6.056 5.143 7.200 0.200 14 0 "[ . 1 . 2 . 3 .]" 1 206 1 19 VAL MG1 1 66 GLU H . . 7.000 3.446 2.259 5.881 . 0 0 "[ . 1 . 2 . 3 .]" 1 207 1 19 VAL MG2 1 20 ASN H . . 6.100 3.735 1.801 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1 208 1 19 VAL MG2 1 20 ASN HD21 . . 7.000 4.279 2.252 5.414 . 0 0 "[ . 1 . 2 . 3 .]" 1 209 1 19 VAL MG2 1 20 ASN HD22 . . 6.500 4.309 2.425 5.483 . 0 0 "[ . 1 . 2 . 3 .]" 1 210 1 19 VAL MG2 1 66 GLU H . . 7.000 3.032 2.090 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1 211 1 19 VAL MG2 1 67 ILE MD . . 5.900 3.487 2.252 5.473 . 0 0 "[ . 1 . 2 . 3 .]" 1 212 1 20 ASN H 1 20 ASN HB2 . . 4.300 2.495 2.295 2.836 . 0 0 "[ . 1 . 2 . 3 .]" 1 213 1 20 ASN H 1 20 ASN HB3 . . 4.200 3.647 3.524 3.880 . 0 0 "[ . 1 . 2 . 3 .]" 1 214 1 20 ASN H 1 20 ASN HD21 . . 4.400 2.822 2.161 3.610 . 0 0 "[ . 1 . 2 . 3 .]" 1 215 1 20 ASN H 1 20 ASN HD22 . . 6.000 4.012 3.263 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 216 1 20 ASN H 1 21 GLY H . . 4.200 3.676 2.409 4.325 0.125 26 0 "[ . 1 . 2 . 3 .]" 1 217 1 20 ASN H 1 22 LYS H . . 6.000 4.613 3.822 5.458 . 0 0 "[ . 1 . 2 . 3 .]" 1 218 1 20 ASN H 1 22 LYS HB2 . . 6.000 3.954 2.991 4.921 . 0 0 "[ . 1 . 2 . 3 .]" 1 219 1 20 ASN H 1 24 ASP QB . . 7.000 4.649 3.694 5.856 . 0 0 "[ . 1 . 2 . 3 .]" 1 220 1 20 ASN HA 1 21 GLY H . . 5.400 2.747 2.117 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1 221 1 20 ASN HB2 1 20 ASN HD22 . . 4.300 3.605 3.495 4.160 . 0 0 "[ . 1 . 2 . 3 .]" 1 222 1 20 ASN HB2 1 21 GLY H . . 4.400 3.739 2.147 4.561 0.161 3 0 "[ . 1 . 2 . 3 .]" 1 223 1 20 ASN HB3 1 20 ASN HD21 . . 3.500 3.481 2.875 3.660 0.160 35 0 "[ . 1 . 2 . 3 .]" 1 224 1 20 ASN HB3 1 21 GLY H . . 4.500 3.603 1.993 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1 225 1 20 ASN HD21 1 21 GLY H . . 6.000 5.523 4.312 6.378 0.378 15 0 "[ . 1 . 2 . 3 .]" 1 226 1 21 GLY H 1 22 LYS H . . 5.100 2.774 2.328 3.802 . 0 0 "[ . 1 . 2 . 3 .]" 1 227 1 21 GLY H 1 25 THR H . . 6.000 4.346 3.315 6.036 0.036 12 0 "[ . 1 . 2 . 3 .]" 1 228 1 21 GLY HA2 1 22 LYS H . . 3.600 2.677 2.401 3.493 . 0 0 "[ . 1 . 2 . 3 .]" 1 229 1 21 GLY HA2 1 25 THR H . . 6.000 4.226 3.241 4.818 . 0 0 "[ . 1 . 2 . 3 .]" 1 230 1 21 GLY HA2 1 25 THR HB . . 6.000 2.728 2.147 3.350 . 0 0 "[ . 1 . 2 . 3 .]" 1 231 1 21 GLY HA2 1 28 LYS QG . . 6.000 6.191 5.402 6.834 0.834 4 2 "[ +. 1 -. 2 . 3 .]" 1 232 1 21 GLY HA3 1 22 LYS H . . 3.500 3.483 2.299 3.605 0.105 25 0 "[ . 1 . 2 . 3 .]" 1 233 1 21 GLY HA3 1 27 VAL MG2 . . 7.000 3.036 2.629 3.588 . 0 0 "[ . 1 . 2 . 3 .]" 1 234 1 21 GLY HA3 1 28 LYS QG . . 6.000 5.816 5.303 6.114 0.114 21 0 "[ . 1 . 2 . 3 .]" 1 235 1 22 LYS H 1 22 LYS HB2 . . 4.000 2.822 2.312 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1 236 1 22 LYS H 1 22 LYS HB3 . . 3.800 3.846 3.484 3.994 0.194 18 0 "[ . 1 . 2 . 3 .]" 1 237 1 22 LYS H 1 22 LYS HD2 . . 6.000 4.602 2.977 5.900 . 0 0 "[ . 1 . 2 . 3 .]" 1 238 1 22 LYS H 1 22 LYS HD3 . . 5.200 5.053 3.526 5.762 0.562 13 1 "[ . 1 + . 2 . 3 .]" 1 239 1 22 LYS H 1 22 LYS QE . . 6.000 5.072 3.727 5.414 . 0 0 "[ . 1 . 2 . 3 .]" 1 240 1 22 LYS H 1 23 THR H . . 4.100 3.632 3.089 4.143 0.043 15 0 "[ . 1 . 2 . 3 .]" 1 241 1 22 LYS H 1 25 THR H . . 6.000 2.990 2.553 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1 242 1 22 LYS H 1 26 GLY H . . 6.000 4.076 3.485 5.793 . 0 0 "[ . 1 . 2 . 3 .]" 1 243 1 22 LYS H 1 27 VAL H . . 3.900 3.977 3.920 4.185 0.285 14 0 "[ . 1 . 2 . 3 .]" 1 244 1 22 LYS H 1 27 VAL MG1 . . 7.000 4.549 4.092 5.204 . 0 0 "[ . 1 . 2 . 3 .]" 1 245 1 22 LYS H 1 27 VAL MG2 . . 7.000 3.104 2.809 3.530 . 0 0 "[ . 1 . 2 . 3 .]" 1 246 1 22 LYS HA 1 22 LYS HD2 . . 5.200 3.799 2.173 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1 247 1 22 LYS HA 1 22 LYS HD3 . . 4.500 3.896 2.112 4.671 0.171 21 0 "[ . 1 . 2 . 3 .]" 1 248 1 22 LYS HA 1 22 LYS QE . . 6.000 3.849 2.301 4.615 . 0 0 "[ . 1 . 2 . 3 .]" 1 249 1 22 LYS HA 1 23 THR H . . 4.200 3.349 2.865 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1 250 1 22 LYS HA 1 24 ASP H . . 6.000 5.376 4.914 5.801 . 0 0 "[ . 1 . 2 . 3 .]" 1 251 1 22 LYS HA 1 25 THR H . . 6.000 5.028 4.598 5.622 . 0 0 "[ . 1 . 2 . 3 .]" 1 252 1 22 LYS HB2 1 22 LYS QE . . 4.500 3.977 3.335 4.359 . 0 0 "[ . 1 . 2 . 3 .]" 1 253 1 22 LYS HB2 1 23 THR H . . 5.400 2.499 1.951 3.236 . 0 0 "[ . 1 . 2 . 3 .]" 1 254 1 22 LYS HB2 1 24 ASP H . . 5.500 4.176 3.364 4.813 . 0 0 "[ . 1 . 2 . 3 .]" 1 255 1 22 LYS HB2 1 25 THR H . . 6.000 5.014 4.453 5.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 256 1 22 LYS HB2 1 26 GLY H . . 6.000 5.766 5.257 6.425 0.425 22 0 "[ . 1 . 2 . 3 .]" 1 257 1 22 LYS HB2 1 27 VAL H . . 6.000 5.783 5.209 6.030 0.030 21 0 "[ . 1 . 2 . 3 .]" 1 258 1 22 LYS HB2 1 29 PRO HG3 . . 6.000 4.416 3.920 6.522 0.522 21 1 "[ . 1 . 2+ . 3 .]" 1 259 1 22 LYS HB3 1 23 THR H . . 5.200 2.118 1.940 2.774 . 0 0 "[ . 1 . 2 . 3 .]" 1 260 1 22 LYS HB3 1 23 THR HA . . 6.000 4.322 3.964 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1 261 1 22 LYS HB3 1 23 THR HB . . 6.000 4.261 3.459 4.956 . 0 0 "[ . 1 . 2 . 3 .]" 1 262 1 22 LYS HB3 1 25 THR H . . 6.000 5.776 5.435 6.029 0.029 14 0 "[ . 1 . 2 . 3 .]" 1 263 1 22 LYS HB3 1 27 VAL H . . 6.000 5.592 4.942 6.051 0.051 17 0 "[ . 1 . 2 . 3 .]" 1 264 1 22 LYS HD2 1 28 LYS QB . . 6.000 4.646 2.567 6.115 0.115 21 0 "[ . 1 . 2 . 3 .]" 1 265 1 22 LYS HD3 1 23 THR H . . 6.000 4.871 4.035 5.826 . 0 0 "[ . 1 . 2 . 3 .]" 1 266 1 22 LYS QE 1 28 LYS QB . . 6.000 3.587 2.214 5.724 . 0 0 "[ . 1 . 2 . 3 .]" 1 267 1 22 LYS QG 1 23 THR H . . 7.000 3.873 3.561 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1 268 1 22 LYS QG 1 24 ASP H . . 7.000 5.802 5.025 6.298 . 0 0 "[ . 1 . 2 . 3 .]" 1 269 1 22 LYS QG 1 25 THR H . . 7.000 6.041 5.490 6.308 . 0 0 "[ . 1 . 2 . 3 .]" 1 270 1 22 LYS QG 1 29 PRO HG3 . . 7.000 3.973 2.346 6.343 . 0 0 "[ . 1 . 2 . 3 .]" 1 271 1 23 THR H 1 23 THR HB . . 3.800 2.523 2.218 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1 272 1 23 THR H 1 23 THR MG . . 4.800 3.468 2.029 3.778 . 0 0 "[ . 1 . 2 . 3 .]" 1 273 1 23 THR H 1 24 ASP H . . 4.600 2.950 2.473 3.633 . 0 0 "[ . 1 . 2 . 3 .]" 1 274 1 23 THR H 1 25 THR H . . 6.000 4.471 3.703 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1 275 1 23 THR HA 1 24 ASP H . . 3.800 3.623 3.518 3.687 . 0 0 "[ . 1 . 2 . 3 .]" 1 276 1 23 THR HA 1 24 ASP HA . . 5.000 4.894 4.740 5.053 0.053 8 0 "[ . 1 . 2 . 3 .]" 1 277 1 23 THR HA 1 25 THR H . . 5.100 4.577 3.986 4.971 . 0 0 "[ . 1 . 2 . 3 .]" 1 278 1 23 THR HA 1 26 GLY HA2 . . 4.600 3.021 2.432 3.505 . 0 0 "[ . 1 . 2 . 3 .]" 1 279 1 23 THR HA 1 26 GLY HA3 . . 4.800 4.517 3.617 4.849 0.049 19 0 "[ . 1 . 2 . 3 .]" 1 280 1 23 THR HA 1 27 VAL H . . 6.000 4.567 4.094 4.982 . 0 0 "[ . 1 . 2 . 3 .]" 1 281 1 23 THR HA 1 31 ALA HA . . 6.000 5.856 5.120 6.096 0.096 26 0 "[ . 1 . 2 . 3 .]" 1 282 1 23 THR HB 1 24 ASP H . . 5.700 2.599 2.130 3.902 . 0 0 "[ . 1 . 2 . 3 .]" 1 283 1 23 THR HB 1 25 THR H . . 6.000 5.174 4.673 6.050 0.050 12 0 "[ . 1 . 2 . 3 .]" 1 284 1 23 THR MG 1 24 ASP H . . 6.100 3.082 1.905 3.777 . 0 0 "[ . 1 . 2 . 3 .]" 1 285 1 23 THR MG 1 24 ASP HA . . 6.200 3.454 2.936 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1 286 1 23 THR MG 1 24 ASP QB . . 8.000 4.127 2.688 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1 287 1 23 THR MG 1 25 THR H . . 7.000 4.966 4.306 5.510 . 0 0 "[ . 1 . 2 . 3 .]" 1 288 1 23 THR MG 1 67 ILE MD . . 7.000 3.307 2.123 4.521 . 0 0 "[ . 1 . 2 . 3 .]" 1 289 1 23 THR MG 1 67 ILE QG . . 6.800 4.037 2.763 5.068 . 0 0 "[ . 1 . 2 . 3 .]" 1 290 1 23 THR MG 1 91 LEU QD . . 6.000 2.061 1.794 2.982 . 0 0 "[ . 1 . 2 . 3 .]" 1 291 1 23 THR MG 1 95 GLY H . . 7.000 3.608 2.436 5.146 . 0 0 "[ . 1 . 2 . 3 .]" 1 292 1 23 THR MG 1 95 GLY HA2 . . 7.000 2.721 2.192 3.912 . 0 0 "[ . 1 . 2 . 3 .]" 1 293 1 24 ASP H 1 25 THR H . . 4.000 2.927 2.644 3.285 . 0 0 "[ . 1 . 2 . 3 .]" 1 294 1 24 ASP H 1 26 GLY H . . 6.000 3.919 3.711 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1 295 1 24 ASP HA 1 25 THR H . . 4.600 3.550 3.498 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1 296 1 24 ASP HA 1 26 GLY H . . 6.000 4.276 3.985 4.582 . 0 0 "[ . 1 . 2 . 3 .]" 1 297 1 24 ASP HA 1 26 GLY HA2 . . 6.000 5.921 5.448 6.459 0.459 4 0 "[ . 1 . 2 . 3 .]" 1 298 1 24 ASP HA 1 67 ILE QG . . 7.000 5.605 4.391 6.287 . 0 0 "[ . 1 . 2 . 3 .]" 1 299 1 24 ASP HA 1 95 GLY HA2 . . 5.600 2.631 2.145 3.519 . 0 0 "[ . 1 . 2 . 3 .]" 1 300 1 24 ASP QB 1 25 THR H . . 5.700 2.412 2.169 2.718 . 0 0 "[ . 1 . 2 . 3 .]" 1 301 1 24 ASP QB 1 25 THR MG . . 8.000 4.753 4.420 5.096 . 0 0 "[ . 1 . 2 . 3 .]" 1 302 1 25 THR H 1 25 THR MG . . 4.800 3.689 3.434 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1 303 1 25 THR H 1 26 GLY H . . 3.400 2.494 2.087 2.768 . 0 0 "[ . 1 . 2 . 3 .]" 1 304 1 25 THR H 1 27 VAL H . . 6.000 4.267 3.379 4.778 . 0 0 "[ . 1 . 2 . 3 .]" 1 305 1 25 THR HA 1 25 THR MG . . 3.500 2.273 2.178 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1 306 1 25 THR HA 1 26 GLY H . . 3.600 3.435 3.081 3.584 . 0 0 "[ . 1 . 2 . 3 .]" 1 307 1 25 THR HA 1 26 GLY HA2 . . 6.000 5.277 5.058 5.356 . 0 0 "[ . 1 . 2 . 3 .]" 1 308 1 25 THR HA 1 26 GLY HA3 . . 5.800 4.671 4.468 4.806 . 0 0 "[ . 1 . 2 . 3 .]" 1 309 1 25 THR HA 1 27 VAL H . . 6.000 5.005 4.659 5.379 . 0 0 "[ . 1 . 2 . 3 .]" 1 310 1 25 THR HA 1 27 VAL MG1 . . 7.000 4.079 3.789 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1 311 1 25 THR HA 1 27 VAL MG2 . . 7.000 5.157 4.709 5.820 . 0 0 "[ . 1 . 2 . 3 .]" 1 312 1 25 THR HB 1 26 GLY H . . 4.100 3.319 2.785 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1 313 1 25 THR HB 1 27 VAL H . . 5.800 3.139 2.809 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1 314 1 25 THR HB 1 27 VAL HA . . 6.000 5.023 4.644 5.612 . 0 0 "[ . 1 . 2 . 3 .]" 1 315 1 25 THR HB 1 27 VAL HB . . 6.000 4.922 4.422 5.404 . 0 0 "[ . 1 . 2 . 3 .]" 1 316 1 25 THR HB 1 27 VAL MG1 . . 6.600 2.365 2.115 3.120 . 0 0 "[ . 1 . 2 . 3 .]" 1 317 1 25 THR HB 1 27 VAL MG2 . . 6.600 2.691 2.095 3.705 . 0 0 "[ . 1 . 2 . 3 .]" 1 318 1 25 THR MG 1 26 GLY H . . 5.900 4.252 3.978 4.423 . 0 0 "[ . 1 . 2 . 3 .]" 1 319 1 25 THR MG 1 26 GLY HA2 . . 7.000 5.498 5.223 5.716 . 0 0 "[ . 1 . 2 . 3 .]" 1 320 1 25 THR MG 1 27 VAL H . . 6.700 4.197 3.816 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1 321 1 25 THR MG 1 27 VAL HB . . 5.900 4.730 4.404 4.927 . 0 0 "[ . 1 . 2 . 3 .]" 1 322 1 25 THR MG 1 27 VAL MG1 . . 5.700 2.243 2.048 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1 323 1 25 THR MG 1 27 VAL MG2 . . 5.700 3.444 2.773 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1 324 1 26 GLY H 1 27 VAL H . . 3.800 2.886 2.530 3.318 . 0 0 "[ . 1 . 2 . 3 .]" 1 325 1 26 GLY H 1 27 VAL HA . . 5.900 5.368 5.078 5.556 . 0 0 "[ . 1 . 2 . 3 .]" 1 326 1 26 GLY H 1 28 LYS H . . 6.000 5.003 4.384 5.706 . 0 0 "[ . 1 . 2 . 3 .]" 1 327 1 26 GLY HA2 1 27 VAL H . . 5.000 2.850 2.665 3.112 . 0 0 "[ . 1 . 2 . 3 .]" 1 328 1 26 GLY HA2 1 29 PRO HD2 . . 6.000 4.027 2.992 4.739 . 0 0 "[ . 1 . 2 . 3 .]" 1 329 1 26 GLY HA2 1 29 PRO HG2 . . 6.000 3.848 2.829 4.640 . 0 0 "[ . 1 . 2 . 3 .]" 1 330 1 26 GLY HA3 1 27 VAL H . . 4.400 3.607 3.536 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1 331 1 27 VAL H 1 27 VAL HB . . 4.300 3.756 3.620 3.877 . 0 0 "[ . 1 . 2 . 3 .]" 1 332 1 27 VAL H 1 27 VAL MG1 . . 4.300 2.635 2.166 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1 333 1 27 VAL H 1 27 VAL MG2 . . 4.100 2.062 1.939 2.219 . 0 0 "[ . 1 . 2 . 3 .]" 1 334 1 27 VAL H 1 28 LYS H . . 6.000 2.521 2.196 3.209 . 0 0 "[ . 1 . 2 . 3 .]" 1 335 1 27 VAL H 1 28 LYS QB . . 6.000 4.494 4.224 4.902 . 0 0 "[ . 1 . 2 . 3 .]" 1 336 1 27 VAL HA 1 28 LYS H . . 3.600 3.540 3.445 3.618 0.018 19 0 "[ . 1 . 2 . 3 .]" 1 337 1 27 VAL HA 1 28 LYS QD . . 7.000 6.098 5.566 6.273 . 0 0 "[ . 1 . 2 . 3 .]" 1 338 1 27 VAL HA 1 28 LYS QG . . 6.000 4.899 4.325 5.483 . 0 0 "[ . 1 . 2 . 3 .]" 1 339 1 27 VAL HB 1 28 LYS H . . 6.000 3.668 2.345 4.059 . 0 0 "[ . 1 . 2 . 3 .]" 1 340 1 27 VAL MG1 1 28 LYS H . . 4.200 4.033 3.768 4.240 0.040 22 0 "[ . 1 . 2 . 3 .]" 1 341 1 27 VAL MG2 1 28 LYS H . . 6.000 2.224 1.790 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1 342 1 27 VAL MG2 1 28 LYS HA . . 7.000 3.931 3.713 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1 343 1 27 VAL MG2 1 28 LYS QG . . 5.000 2.727 2.276 3.418 . 0 0 "[ . 1 . 2 . 3 .]" 1 344 1 28 LYS H 1 28 LYS QE . . 6.000 5.001 4.262 5.372 . 0 0 "[ . 1 . 2 . 3 .]" 1 345 1 28 LYS H 1 28 LYS QG . . 4.500 3.200 2.462 3.537 . 0 0 "[ . 1 . 2 . 3 .]" 1 346 1 28 LYS H 1 29 PRO HD2 . . 6.000 2.122 1.963 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1 347 1 28 LYS H 1 29 PRO HD3 . . 6.000 3.241 2.492 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1 348 1 28 LYS HA 1 28 LYS QE . . 4.800 3.469 2.058 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1 349 1 28 LYS HA 1 29 PRO HD2 . . 4.800 4.022 3.919 4.148 . 0 0 "[ . 1 . 2 . 3 .]" 1 350 1 28 LYS HA 1 29 PRO HD3 . . 5.400 4.136 3.988 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1 351 1 28 LYS QB 1 29 PRO HB3 . . 6.000 4.236 4.069 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1 352 1 28 LYS QB 1 29 PRO HD2 . . 6.000 2.617 2.289 3.241 . 0 0 "[ . 1 . 2 . 3 .]" 1 353 1 28 LYS QB 1 29 PRO HD3 . . 6.000 2.117 2.038 2.228 . 0 0 "[ . 1 . 2 . 3 .]" 1 354 1 28 LYS QB 1 29 PRO HG2 . . 6.000 4.470 4.300 4.774 . 0 0 "[ . 1 . 2 . 3 .]" 1 355 1 29 PRO HA 1 29 PRO HG2 . . 4.000 3.826 3.788 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1 356 1 29 PRO HA 1 30 GLU H . . 3.800 2.344 2.194 2.637 . 0 0 "[ . 1 . 2 . 3 .]" 1 357 1 29 PRO HA 1 30 GLU QG . . 7.000 4.297 3.032 5.817 . 0 0 "[ . 1 . 2 . 3 .]" 1 358 1 29 PRO HA 1 33 GLN QE . . 6.000 2.314 1.931 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1 359 1 29 PRO HA 1 35 ILE MG . . 7.000 5.663 4.550 5.870 . 0 0 "[ . 1 . 2 . 3 .]" 1 360 1 29 PRO HB2 1 30 GLU H . . 4.500 3.307 2.198 4.473 . 0 0 "[ . 1 . 2 . 3 .]" 1 361 1 29 PRO HB2 1 30 GLU QG . . 7.000 5.525 4.013 6.498 . 0 0 "[ . 1 . 2 . 3 .]" 1 362 1 29 PRO HB2 1 35 ILE MD . . 7.000 4.613 3.915 5.346 . 0 0 "[ . 1 . 2 . 3 .]" 1 363 1 29 PRO HB3 1 30 GLU H . . 5.400 4.031 3.523 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1 364 1 29 PRO HB3 1 35 ILE MD . . 6.600 4.838 4.030 5.298 . 0 0 "[ . 1 . 2 . 3 .]" 1 365 1 29 PRO HG2 1 30 GLU H . . 6.000 4.566 3.640 5.031 . 0 0 "[ . 1 . 2 . 3 .]" 1 366 1 29 PRO HG2 1 35 ILE MD . . 6.700 5.448 4.935 5.913 . 0 0 "[ . 1 . 2 . 3 .]" 1 367 1 29 PRO HG3 1 30 GLU H . . 5.900 5.469 4.665 5.892 . 0 0 "[ . 1 . 2 . 3 .]" 1 368 1 30 GLU H 1 30 GLU HB2 . . 3.900 2.654 2.089 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1 369 1 30 GLU H 1 31 ALA H . . 4.900 4.420 2.967 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1 370 1 30 GLU H 1 31 ALA MB . . 7.000 5.675 4.888 5.905 . 0 0 "[ . 1 . 2 . 3 .]" 1 371 1 30 GLU H 1 33 GLN HB2 . . 5.600 4.454 3.187 5.328 . 0 0 "[ . 1 . 2 . 3 .]" 1 372 1 30 GLU H 1 33 GLN HB3 . . 6.000 5.466 4.328 6.067 0.067 31 0 "[ . 1 . 2 . 3 .]" 1 373 1 30 GLU H 1 33 GLN QE . . 5.700 2.349 1.784 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1 374 1 30 GLU H 1 33 GLN HG3 . . 6.000 3.945 2.692 5.200 . 0 0 "[ . 1 . 2 . 3 .]" 1 375 1 30 GLU HA 1 31 ALA H . . 3.800 2.352 2.137 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1 376 1 30 GLU HA 1 31 ALA HA . . 6.000 4.406 4.219 4.817 . 0 0 "[ . 1 . 2 . 3 .]" 1 377 1 30 GLU HA 1 31 ALA MB . . 5.900 4.099 3.853 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1 378 1 30 GLU HB2 1 31 ALA H . . 4.300 3.848 2.458 4.422 0.122 27 0 "[ . 1 . 2 . 3 .]" 1 379 1 30 GLU HB2 1 33 GLN QE . . 6.000 3.675 2.380 5.254 . 0 0 "[ . 1 . 2 . 3 .]" 1 380 1 30 GLU HB2 1 33 GLN HG2 . . 6.000 5.242 3.135 6.812 0.812 11 2 "[ . 1+ . 2 . 3 -.]" 1 381 1 30 GLU HB2 1 33 GLN HG3 . . 6.000 4.042 2.311 6.685 0.685 1 1 "[+ . 1 . 2 . 3 .]" 1 382 1 30 GLU HB3 1 31 ALA H . . 4.500 3.154 2.429 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1 383 1 30 GLU HB3 1 31 ALA MB . . 6.600 4.517 3.872 5.596 . 0 0 "[ . 1 . 2 . 3 .]" 1 384 1 30 GLU HB3 1 33 GLN QE . . 6.000 4.388 2.037 6.552 0.552 25 2 "[ - . 1 . 2 + 3 .]" 1 385 1 30 GLU QG 1 31 ALA H . . 7.000 3.742 2.183 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1 386 1 30 GLU QG 1 33 GLN QE . . 7.000 4.079 2.016 5.307 . 0 0 "[ . 1 . 2 . 3 .]" 1 387 1 31 ALA H 1 31 ALA MB . . 3.400 2.274 2.105 2.798 . 0 0 "[ . 1 . 2 . 3 .]" 1 388 1 31 ALA H 1 32 GLY H . . 5.100 4.555 2.730 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1 389 1 31 ALA H 1 91 LEU QD . . 7.000 4.862 3.914 5.348 . 0 0 "[ . 1 . 2 . 3 .]" 1 390 1 31 ALA HA 1 32 GLY H . . 3.100 2.460 2.166 3.060 . 0 0 "[ . 1 . 2 . 3 .]" 1 391 1 31 ALA HA 1 32 GLY HA2 . . 6.000 4.606 4.294 4.990 . 0 0 "[ . 1 . 2 . 3 .]" 1 392 1 31 ALA HA 1 32 GLY HA3 . . 6.000 4.599 4.252 5.022 . 0 0 "[ . 1 . 2 . 3 .]" 1 393 1 31 ALA HA 1 33 GLN H . . 6.000 3.325 3.022 3.871 . 0 0 "[ . 1 . 2 . 3 .]" 1 394 1 31 ALA HA 1 91 LEU HB2 . . 6.000 2.540 2.076 3.441 . 0 0 "[ . 1 . 2 . 3 .]" 1 395 1 31 ALA HA 1 91 LEU QD . . 7.000 3.201 2.464 3.644 . 0 0 "[ . 1 . 2 . 3 .]" 1 396 1 31 ALA HA 1 91 LEU HG . . 6.000 3.570 2.164 5.013 . 0 0 "[ . 1 . 2 . 3 .]" 1 397 1 31 ALA HA 1 97 LEU QD . . 7.000 5.620 4.553 6.378 . 0 0 "[ . 1 . 2 . 3 .]" 1 398 1 31 ALA MB 1 32 GLY H . . 4.000 2.665 1.911 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 399 1 31 ALA MB 1 33 GLN H . . 5.700 4.405 4.154 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1 400 1 31 ALA MB 1 91 LEU HA . . 7.000 4.847 4.060 5.841 . 0 0 "[ . 1 . 2 . 3 .]" 1 401 1 31 ALA MB 1 91 LEU HB2 . . 7.000 3.658 2.944 4.390 . 0 0 "[ . 1 . 2 . 3 .]" 1 402 1 31 ALA MB 1 92 GLY QA . . 6.100 3.589 1.998 5.218 . 0 0 "[ . 1 . 2 . 3 .]" 1 403 1 31 ALA MB 1 93 GLU H . . 7.000 4.357 2.564 5.718 . 0 0 "[ . 1 . 2 . 3 .]" 1 404 1 31 ALA MB 1 93 GLU HA . . 5.700 4.469 3.832 4.804 . 0 0 "[ . 1 . 2 . 3 .]" 1 405 1 31 ALA MB 1 93 GLU HB2 . . 7.000 5.821 5.067 6.544 . 0 0 "[ . 1 . 2 . 3 .]" 1 406 1 31 ALA MB 1 93 GLU QG . . 7.000 5.225 4.887 5.337 . 0 0 "[ . 1 . 2 . 3 .]" 1 407 1 31 ALA MB 1 94 ASP H . . 7.000 3.772 1.859 5.221 . 0 0 "[ . 1 . 2 . 3 .]" 1 408 1 31 ALA MB 1 95 GLY H . . 7.000 4.354 2.796 5.502 . 0 0 "[ . 1 . 2 . 3 .]" 1 409 1 32 GLY H 1 33 GLN H . . 3.400 2.561 2.103 3.463 0.063 2 0 "[ . 1 . 2 . 3 .]" 1 410 1 32 GLY H 1 90 VAL MG2 . . 5.500 3.419 2.583 4.821 . 0 0 "[ . 1 . 2 . 3 .]" 1 411 1 32 GLY H 1 91 LEU HB2 . . 6.000 2.444 1.951 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1 412 1 32 GLY H 1 91 LEU HB3 . . 6.000 3.143 2.166 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1 413 1 32 GLY H 1 97 LEU QD . . 7.000 6.121 5.456 6.428 . 0 0 "[ . 1 . 2 . 3 .]" 1 414 1 32 GLY HA2 1 33 GLN H . . 4.500 3.273 2.837 4.070 . 0 0 "[ . 1 . 2 . 3 .]" 1 415 1 32 GLY HA2 1 90 VAL MG2 . . 5.600 2.659 2.081 3.774 . 0 0 "[ . 1 . 2 . 3 .]" 1 416 1 32 GLY HA3 1 33 GLN H . . 3.600 3.388 2.955 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1 417 1 32 GLY HA3 1 90 VAL MG2 . . 6.000 3.927 3.345 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1 418 1 33 GLN H 1 33 GLN HB2 . . 3.700 2.436 2.275 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1 419 1 33 GLN H 1 33 GLN HB3 . . 4.300 3.650 3.516 3.798 . 0 0 "[ . 1 . 2 . 3 .]" 1 420 1 33 GLN H 1 33 GLN QE . . 5.100 4.087 3.363 4.933 . 0 0 "[ . 1 . 2 . 3 .]" 1 421 1 33 GLN H 1 33 GLN HG2 . . 4.200 3.976 2.999 4.269 0.069 21 0 "[ . 1 . 2 . 3 .]" 1 422 1 33 GLN H 1 33 GLN HG3 . . 3.800 3.003 2.639 3.852 0.052 9 0 "[ . 1 . 2 . 3 .]" 1 423 1 33 GLN H 1 34 ARG H . . 4.800 4.521 4.184 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 424 1 33 GLN H 1 90 VAL HB . . 6.000 6.022 5.806 6.097 0.097 4 0 "[ . 1 . 2 . 3 .]" 1 425 1 33 GLN H 1 90 VAL MG2 . . 7.000 3.353 3.146 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1 426 1 33 GLN H 1 91 LEU H . . 4.100 3.277 2.508 4.103 0.003 14 0 "[ . 1 . 2 . 3 .]" 1 427 1 33 GLN H 1 91 LEU HB2 . . 6.000 2.515 1.982 3.439 . 0 0 "[ . 1 . 2 . 3 .]" 1 428 1 33 GLN H 1 91 LEU HB3 . . 6.000 4.105 3.447 4.983 . 0 0 "[ . 1 . 2 . 3 .]" 1 429 1 33 GLN H 1 97 LEU QD . . 7.000 6.102 5.267 6.390 . 0 0 "[ . 1 . 2 . 3 .]" 1 430 1 33 GLN HA 1 33 GLN HG2 . . 4.100 2.495 2.262 3.447 . 0 0 "[ . 1 . 2 . 3 .]" 1 431 1 33 GLN HA 1 33 GLN HG3 . . 4.300 2.978 2.302 3.733 . 0 0 "[ . 1 . 2 . 3 .]" 1 432 1 33 GLN HA 1 34 ARG H . . 3.400 2.292 2.106 2.499 . 0 0 "[ . 1 . 2 . 3 .]" 1 433 1 33 GLN HA 1 35 ILE MG . . 6.100 4.936 4.216 5.121 . 0 0 "[ . 1 . 2 . 3 .]" 1 434 1 33 GLN HA 1 90 VAL MG2 . . 7.000 3.600 3.261 3.987 . 0 0 "[ . 1 . 2 . 3 .]" 1 435 1 33 GLN HB2 1 34 ARG H . . 4.700 3.900 3.518 4.196 . 0 0 "[ . 1 . 2 . 3 .]" 1 436 1 33 GLN HB2 1 35 ILE MG . . 6.300 3.524 2.995 3.959 . 0 0 "[ . 1 . 2 . 3 .]" 1 437 1 33 GLN HB3 1 34 ARG H . . 4.700 2.701 2.338 3.098 . 0 0 "[ . 1 . 2 . 3 .]" 1 438 1 33 GLN HB3 1 35 ILE MG . . 6.900 3.208 2.594 3.505 . 0 0 "[ . 1 . 2 . 3 .]" 1 439 1 33 GLN QE 1 35 ILE MG . . 7.000 4.255 2.953 5.201 . 0 0 "[ . 1 . 2 . 3 .]" 1 440 1 33 GLN HG3 1 34 ARG H . . 6.000 4.831 4.082 5.075 . 0 0 "[ . 1 . 2 . 3 .]" 1 441 1 33 GLN HG3 1 35 ILE MG . . 7.000 5.473 4.704 5.853 . 0 0 "[ . 1 . 2 . 3 .]" 1 442 1 34 ARG H 1 34 ARG QB . . 3.900 2.402 2.090 2.805 . 0 0 "[ . 1 . 2 . 3 .]" 1 443 1 34 ARG H 1 34 ARG HG2 . . 4.400 3.799 2.763 4.622 0.222 21 0 "[ . 1 . 2 . 3 .]" 1 444 1 34 ARG H 1 34 ARG HG3 . . 5.600 3.541 2.058 4.813 . 0 0 "[ . 1 . 2 . 3 .]" 1 445 1 34 ARG H 1 35 ILE H . . 5.400 4.479 4.290 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1 446 1 34 ARG H 1 90 VAL MG2 . . 6.200 3.877 3.446 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1 447 1 34 ARG HA 1 34 ARG HG2 . . 4.200 2.530 2.231 4.212 0.012 26 0 "[ . 1 . 2 . 3 .]" 1 448 1 34 ARG HA 1 34 ARG HG3 . . 4.500 3.314 2.364 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1 449 1 34 ARG HA 1 35 ILE H . . 3.600 2.208 2.137 2.357 . 0 0 "[ . 1 . 2 . 3 .]" 1 450 1 34 ARG HA 1 90 VAL HA . . 3.400 2.142 2.070 2.344 . 0 0 "[ . 1 . 2 . 3 .]" 1 451 1 34 ARG HA 1 90 VAL MG1 . . 7.000 4.683 4.204 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1 452 1 34 ARG HA 1 90 VAL MG2 . . 7.000 3.139 2.680 3.682 . 0 0 "[ . 1 . 2 . 3 .]" 1 453 1 34 ARG HA 1 91 LEU H . . 3.500 3.540 3.478 3.637 0.137 2 0 "[ . 1 . 2 . 3 .]" 1 454 1 34 ARG QB 1 35 ILE H . . 5.100 3.305 2.700 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1 455 1 34 ARG QB 1 90 VAL HA . . 6.000 3.993 3.415 4.480 . 0 0 "[ . 1 . 2 . 3 .]" 1 456 1 34 ARG QB 1 90 VAL HB . . 4.600 4.089 2.306 4.914 0.314 2 0 "[ . 1 . 2 . 3 .]" 1 457 1 34 ARG QB 1 90 VAL MG1 . . 6.200 5.211 3.566 5.886 . 0 0 "[ . 1 . 2 . 3 .]" 1 458 1 34 ARG QD 1 88 GLN QE . . 7.000 5.151 3.711 6.188 . 0 0 "[ . 1 . 2 . 3 .]" 1 459 1 34 ARG QD 1 90 VAL MG1 . . 8.000 4.788 3.646 6.403 . 0 0 "[ . 1 . 2 . 3 .]" 1 460 1 34 ARG HG2 1 35 ILE H . . 6.000 4.041 2.695 5.810 . 0 0 "[ . 1 . 2 . 3 .]" 1 461 1 34 ARG HG2 1 90 VAL HA . . 6.000 3.411 2.719 5.893 . 0 0 "[ . 1 . 2 . 3 .]" 1 462 1 34 ARG HG2 1 90 VAL HB . . 5.600 2.919 2.226 5.305 . 0 0 "[ . 1 . 2 . 3 .]" 1 463 1 34 ARG HG2 1 90 VAL MG1 . . 5.300 4.407 3.578 6.270 0.970 7 2 "[ . + 1 . 2 . - 3 .]" 1 464 1 34 ARG HG3 1 35 ILE H . . 6.000 4.930 3.006 5.718 . 0 0 "[ . 1 . 2 . 3 .]" 1 465 1 35 ILE H 1 35 ILE HB . . 4.300 3.981 3.916 4.081 . 0 0 "[ . 1 . 2 . 3 .]" 1 466 1 35 ILE H 1 35 ILE MD . . 5.200 4.134 2.172 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1 467 1 35 ILE H 1 35 ILE HG12 . . 4.600 3.015 2.692 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1 468 1 35 ILE H 1 35 ILE HG13 . . 4.200 3.222 2.716 4.610 0.410 23 0 "[ . 1 . 2 . 3 .]" 1 469 1 35 ILE H 1 35 ILE MG . . 4.300 3.265 2.892 3.476 . 0 0 "[ . 1 . 2 . 3 .]" 1 470 1 35 ILE H 1 36 ARG H . . 6.000 4.377 4.286 4.475 . 0 0 "[ . 1 . 2 . 3 .]" 1 471 1 35 ILE H 1 89 GLY H . . 3.300 3.293 3.070 3.442 0.142 2 0 "[ . 1 . 2 . 3 .]" 1 472 1 35 ILE H 1 90 VAL HA . . 3.300 3.280 2.892 3.399 0.099 23 0 "[ . 1 . 2 . 3 .]" 1 473 1 35 ILE HA 1 36 ARG H . . 3.100 2.584 2.448 2.767 . 0 0 "[ . 1 . 2 . 3 .]" 1 474 1 35 ILE HB 1 36 ARG H . . 3.900 2.315 2.140 2.643 . 0 0 "[ . 1 . 2 . 3 .]" 1 475 1 35 ILE HB 1 91 LEU QD . . 7.000 4.283 3.970 5.008 . 0 0 "[ . 1 . 2 . 3 .]" 1 476 1 35 ILE MD 1 36 ARG H . . 7.000 3.752 3.143 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1 477 1 35 ILE MD 1 37 VAL HB . . 6.700 3.692 3.125 5.072 . 0 0 "[ . 1 . 2 . 3 .]" 1 478 1 35 ILE MD 1 37 VAL QG . . 6.200 3.794 2.457 4.024 . 0 0 "[ . 1 . 2 . 3 .]" 1 479 1 35 ILE MD 1 91 LEU H . . 7.000 5.249 3.802 5.835 . 0 0 "[ . 1 . 2 . 3 .]" 1 480 1 35 ILE MD 1 91 LEU HB3 . . 7.000 5.678 4.934 6.247 . 0 0 "[ . 1 . 2 . 3 .]" 1 481 1 35 ILE MD 1 91 LEU QD . . 5.600 2.191 1.825 2.569 . 0 0 "[ . 1 . 2 . 3 .]" 1 482 1 35 ILE MD 1 97 LEU QD . . 6.400 2.327 1.926 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1 483 1 35 ILE HG12 1 36 ARG H . . 6.000 4.464 2.759 4.865 . 0 0 "[ . 1 . 2 . 3 .]" 1 484 1 35 ILE HG12 1 91 LEU QD . . 6.800 2.265 1.905 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1 485 1 35 ILE HG13 1 35 ILE MG . . 3.400 3.157 2.277 3.274 . 0 0 "[ . 1 . 2 . 3 .]" 1 486 1 35 ILE HG13 1 37 VAL H . . 6.000 4.431 3.787 5.945 . 0 0 "[ . 1 . 2 . 3 .]" 1 487 1 35 ILE MG 1 36 ARG H . . 5.500 3.783 3.584 4.126 . 0 0 "[ . 1 . 2 . 3 .]" 1 488 1 35 ILE MG 1 91 LEU H . . 7.000 4.884 4.193 5.383 . 0 0 "[ . 1 . 2 . 3 .]" 1 489 1 36 ARG H 1 36 ARG HB2 . . 3.700 2.899 2.702 3.167 . 0 0 "[ . 1 . 2 . 3 .]" 1 490 1 36 ARG H 1 36 ARG HB3 . . 3.900 3.828 3.745 3.906 0.006 31 0 "[ . 1 . 2 . 3 .]" 1 491 1 36 ARG H 1 36 ARG HG3 . . 3.600 2.585 2.363 3.963 0.363 31 0 "[ . 1 . 2 . 3 .]" 1 492 1 36 ARG H 1 37 VAL H . . 6.000 4.312 4.127 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1 493 1 36 ARG HA 1 36 ARG HG2 . . 4.500 2.806 2.530 3.378 . 0 0 "[ . 1 . 2 . 3 .]" 1 494 1 36 ARG HA 1 36 ARG HG3 . . 4.000 3.488 3.312 4.075 0.075 31 0 "[ . 1 . 2 . 3 .]" 1 495 1 36 ARG HA 1 37 VAL H . . 3.000 2.181 2.119 2.297 . 0 0 "[ . 1 . 2 . 3 .]" 1 496 1 36 ARG HA 1 88 GLN HA . . 3.200 2.189 2.083 2.354 . 0 0 "[ . 1 . 2 . 3 .]" 1 497 1 36 ARG HA 1 88 GLN QB . . 6.000 3.414 2.195 4.216 . 0 0 "[ . 1 . 2 . 3 .]" 1 498 1 36 ARG HA 1 88 GLN HG2 . . 6.000 4.233 3.534 5.543 . 0 0 "[ . 1 . 2 . 3 .]" 1 499 1 36 ARG HA 1 89 GLY H . . 3.800 3.517 3.043 3.858 0.058 15 0 "[ . 1 . 2 . 3 .]" 1 500 1 36 ARG HB2 1 37 VAL H . . 4.000 3.973 3.337 4.242 0.242 10 0 "[ . 1 . 2 . 3 .]" 1 501 1 36 ARG HB2 1 86 VAL HA . . 6.000 5.944 5.396 6.079 0.079 18 0 "[ . 1 . 2 . 3 .]" 1 502 1 36 ARG HB2 1 89 GLY H . . 6.000 6.079 5.420 6.554 0.554 15 1 "[ . 1 + 2 . 3 .]" 1 503 1 36 ARG HB3 1 37 VAL H . . 4.200 3.355 2.996 3.702 . 0 0 "[ . 1 . 2 . 3 .]" 1 504 1 36 ARG HB3 1 86 VAL HA . . 6.000 5.247 4.898 5.827 . 0 0 "[ . 1 . 2 . 3 .]" 1 505 1 36 ARG HB3 1 86 VAL MG1 . . 7.000 5.044 4.185 5.664 . 0 0 "[ . 1 . 2 . 3 .]" 1 506 1 36 ARG HB3 1 86 VAL MG2 . . 7.000 4.580 3.928 5.520 . 0 0 "[ . 1 . 2 . 3 .]" 1 507 1 36 ARG HB3 1 88 GLN HA . . 6.000 3.165 2.299 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1 508 1 36 ARG QD 1 37 VAL H . . 7.000 5.303 4.521 5.610 . 0 0 "[ . 1 . 2 . 3 .]" 1 509 1 36 ARG QD 1 86 VAL MG2 . . 7.800 4.352 3.569 5.381 . 0 0 "[ . 1 . 2 . 3 .]" 1 510 1 36 ARG QD 1 103 LEU MD1 . . 8.000 5.918 5.497 5.995 . 0 0 "[ . 1 . 2 . 3 .]" 1 511 1 36 ARG QD 1 103 LEU MD2 . . 8.000 3.841 3.445 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1 512 1 36 ARG HG2 1 37 VAL H . . 6.000 4.853 4.558 5.303 . 0 0 "[ . 1 . 2 . 3 .]" 1 513 1 36 ARG HG2 1 88 GLN HA . . 6.000 3.054 2.224 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1 514 1 36 ARG HG2 1 88 GLN QB . . 6.000 2.479 1.927 4.695 . 0 0 "[ . 1 . 2 . 3 .]" 1 515 1 36 ARG HG2 1 88 GLN HG2 . . 6.000 3.078 2.131 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1 516 1 36 ARG HG2 1 88 GLN HG3 . . 6.000 3.066 2.049 4.750 . 0 0 "[ . 1 . 2 . 3 .]" 1 517 1 36 ARG HG3 1 37 VAL H . . 6.000 5.348 5.135 5.728 . 0 0 "[ . 1 . 2 . 3 .]" 1 518 1 36 ARG HG3 1 88 GLN HA . . 6.000 4.497 3.827 5.230 . 0 0 "[ . 1 . 2 . 3 .]" 1 519 1 36 ARG HG3 1 88 GLN QB . . 6.000 3.901 3.313 5.374 . 0 0 "[ . 1 . 2 . 3 .]" 1 520 1 36 ARG HG3 1 88 GLN HG2 . . 6.000 4.598 3.774 6.115 0.115 27 0 "[ . 1 . 2 . 3 .]" 1 521 1 36 ARG HG3 1 88 GLN HG3 . . 6.000 4.524 3.487 6.106 0.106 33 0 "[ . 1 . 2 . 3 .]" 1 522 1 36 ARG HG3 1 89 GLY H . . 6.000 5.316 4.540 6.030 0.030 2 0 "[ . 1 . 2 . 3 .]" 1 523 1 37 VAL H 1 37 VAL HB . . 4.300 3.078 2.795 3.812 . 0 0 "[ . 1 . 2 . 3 .]" 1 524 1 37 VAL H 1 38 GLY H . . 6.000 4.469 4.298 4.567 . 0 0 "[ . 1 . 2 . 3 .]" 1 525 1 37 VAL H 1 86 VAL HA . . 6.000 4.971 4.759 5.190 . 0 0 "[ . 1 . 2 . 3 .]" 1 526 1 37 VAL H 1 86 VAL MG1 . . 7.000 5.713 5.305 6.096 . 0 0 "[ . 1 . 2 . 3 .]" 1 527 1 37 VAL H 1 87 ALA H . . 3.300 3.212 2.930 3.318 0.018 17 0 "[ . 1 . 2 . 3 .]" 1 528 1 37 VAL H 1 87 ALA MB . . 6.500 3.339 3.144 3.545 . 0 0 "[ . 1 . 2 . 3 .]" 1 529 1 37 VAL H 1 88 GLN HA . . 3.500 3.477 3.016 3.610 0.110 18 0 "[ . 1 . 2 . 3 .]" 1 530 1 37 VAL HA 1 38 GLY H . . 3.500 2.229 2.157 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1 531 1 37 VAL HB 1 38 GLY H . . 4.900 4.183 3.140 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1 532 1 37 VAL QG 1 38 GLY H . . 5.400 2.779 2.415 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1 533 1 37 VAL QG 1 39 GLY H . . 6.800 4.053 3.435 4.840 . 0 0 "[ . 1 . 2 . 3 .]" 1 534 1 37 VAL QG 1 69 VAL MG2 . . 5.500 2.220 1.940 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 535 1 37 VAL QG 1 79 PHE CG . . 9.000 8.039 7.605 8.344 . 0 0 "[ . 1 . 2 . 3 .]" 1 536 1 37 VAL QG 1 87 ALA H . . 7.000 2.895 2.573 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1 537 1 37 VAL QG 1 87 ALA MB . . 5.500 2.002 1.898 2.187 . 0 0 "[ . 1 . 2 . 3 .]" 1 538 1 38 GLY H 1 39 GLY H . . 5.400 4.278 3.859 4.436 . 0 0 "[ . 1 . 2 . 3 .]" 1 539 1 38 GLY HA2 1 39 GLY H . . 3.500 2.190 2.147 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1 540 1 38 GLY HA2 1 86 VAL HA . . 3.400 2.177 2.089 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1 541 1 38 GLY HA2 1 86 VAL MG1 . . 7.000 2.387 2.230 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1 542 1 38 GLY HA2 1 87 ALA H . . 3.300 3.414 3.242 3.528 0.228 31 0 "[ . 1 . 2 . 3 .]" 1 543 1 38 GLY HA3 1 39 GLY H . . 4.100 3.315 3.007 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1 544 1 38 GLY HA3 1 86 VAL HA . . 4.200 3.380 2.508 3.558 . 0 0 "[ . 1 . 2 . 3 .]" 1 545 1 38 GLY HA3 1 86 VAL MG1 . . 7.000 2.262 2.101 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1 546 1 38 GLY HA3 1 87 ALA H . . 4.500 4.515 3.778 4.585 0.085 24 0 "[ . 1 . 2 . 3 .]" 1 547 1 39 GLY H 1 40 MET H . . 6.000 4.263 3.654 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1 548 1 39 GLY H 1 59 VAL QG . . 7.000 3.314 2.747 4.395 . 0 0 "[ . 1 . 2 . 3 .]" 1 549 1 39 GLY H 1 84 GLY HA2 . . 6.000 4.547 4.065 4.832 . 0 0 "[ . 1 . 2 . 3 .]" 1 550 1 39 GLY H 1 85 ILE H . . 3.500 3.329 2.959 3.580 0.080 15 0 "[ . 1 . 2 . 3 .]" 1 551 1 39 GLY H 1 86 VAL HA . . 3.600 3.607 3.464 3.653 0.053 23 0 "[ . 1 . 2 . 3 .]" 1 552 1 39 GLY HA2 1 40 MET H . . 3.600 2.884 2.689 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1 553 1 39 GLY HA3 1 40 MET H . . 3.400 2.402 2.260 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1 554 1 39 GLY HA3 1 59 VAL QG . . 5.800 2.850 2.227 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1 555 1 40 MET H 1 40 MET HB2 . . 4.000 3.753 3.578 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1 556 1 40 MET H 1 40 MET HB3 . . 4.000 3.152 2.935 3.493 . 0 0 "[ . 1 . 2 . 3 .]" 1 557 1 40 MET H 1 40 MET ME . . 4.800 3.271 2.076 4.076 . 0 0 "[ . 1 . 2 . 3 .]" 1 558 1 40 MET H 1 40 MET HG2 . . 4.900 2.353 2.023 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1 559 1 40 MET H 1 40 MET HG3 . . 4.600 3.293 2.120 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1 560 1 40 MET H 1 41 VAL H . . 5.200 4.464 4.249 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1 561 1 40 MET H 1 59 VAL QG . . 6.700 3.078 2.294 4.813 . 0 0 "[ . 1 . 2 . 3 .]" 1 562 1 40 MET H 1 60 HIS H . . 3.700 3.467 3.045 3.753 0.053 26 0 "[ . 1 . 2 . 3 .]" 1 563 1 40 MET H 1 60 HIS HB2 . . 6.000 5.950 5.552 6.944 0.944 22 2 "[ . 1 . 2 + -. 3 .]" 1 564 1 40 MET H 1 61 ASP HA . . 5.600 3.305 2.581 5.292 . 0 0 "[ . 1 . 2 . 3 .]" 1 565 1 40 MET HA 1 40 MET ME . . 5.800 3.906 3.439 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1 566 1 40 MET HA 1 41 VAL H . . 3.200 2.140 2.013 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1 567 1 40 MET HA 1 41 VAL QG . . 7.000 3.512 2.883 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1 568 1 40 MET HA 1 84 GLY HA2 . . 2.900 2.045 1.982 2.123 . 0 0 "[ . 1 . 2 . 3 .]" 1 569 1 40 MET HA 1 84 GLY HA3 . . 3.500 3.123 2.331 3.497 . 0 0 "[ . 1 . 2 . 3 .]" 1 570 1 40 MET HA 1 85 ILE H . . 3.500 3.488 3.099 3.554 0.054 32 0 "[ . 1 . 2 . 3 .]" 1 571 1 40 MET HB2 1 40 MET ME . . 5.000 3.164 2.098 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1 572 1 40 MET HB2 1 41 VAL H . . 4.700 3.069 2.518 3.339 . 0 0 "[ . 1 . 2 . 3 .]" 1 573 1 40 MET HB3 1 40 MET ME . . 4.000 2.437 2.096 3.527 . 0 0 "[ . 1 . 2 . 3 .]" 1 574 1 40 MET HB3 1 41 VAL H . . 4.800 3.992 3.604 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1 575 1 40 MET HB3 1 84 GLY HA2 . . 6.000 3.691 2.789 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1 576 1 40 MET ME 1 41 VAL H . . 6.600 5.068 2.893 5.535 . 0 0 "[ . 1 . 2 . 3 .]" 1 577 1 40 MET HG2 1 41 VAL H . . 6.000 4.882 4.373 5.507 . 0 0 "[ . 1 . 2 . 3 .]" 1 578 1 40 MET HG3 1 41 VAL H . . 6.000 4.693 4.146 5.474 . 0 0 "[ . 1 . 2 . 3 .]" 1 579 1 41 VAL H 1 41 VAL HB . . 3.800 2.890 2.268 3.728 . 0 0 "[ . 1 . 2 . 3 .]" 1 580 1 41 VAL H 1 41 VAL QG . . 3.700 2.172 1.816 2.707 . 0 0 "[ . 1 . 2 . 3 .]" 1 581 1 41 VAL H 1 42 THR H . . 6.000 4.573 4.272 4.725 . 0 0 "[ . 1 . 2 . 3 .]" 1 582 1 41 VAL H 1 82 GLY H . . 5.500 4.623 3.838 5.242 . 0 0 "[ . 1 . 2 . 3 .]" 1 583 1 41 VAL H 1 83 GLN H . . 3.400 3.295 3.069 3.541 0.141 26 0 "[ . 1 . 2 . 3 .]" 1 584 1 41 VAL H 1 84 GLY HA2 . . 3.400 2.895 2.147 3.188 . 0 0 "[ . 1 . 2 . 3 .]" 1 585 1 41 VAL H 1 84 GLY HA3 . . 4.500 4.438 3.538 4.642 0.142 24 0 "[ . 1 . 2 . 3 .]" 1 586 1 41 VAL H 1 85 ILE H . . 6.000 4.095 3.651 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1 587 1 41 VAL H 1 85 ILE MD . . 7.000 5.753 4.361 5.893 . 0 0 "[ . 1 . 2 . 3 .]" 1 588 1 41 VAL HA 1 42 THR H . . 3.200 2.253 2.119 2.387 . 0 0 "[ . 1 . 2 . 3 .]" 1 589 1 41 VAL HA 1 59 VAL HA . . 3.700 2.482 2.100 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1 590 1 41 VAL HA 1 59 VAL QG . . 5.700 2.675 2.175 3.311 . 0 0 "[ . 1 . 2 . 3 .]" 1 591 1 41 VAL HA 1 60 HIS H . . 6.000 3.435 2.904 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1 592 1 41 VAL HB 1 42 THR H . . 6.000 3.804 2.495 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1 593 1 41 VAL HB 1 59 VAL QG . . 6.600 3.819 2.525 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1 594 1 41 VAL HB 1 83 GLN H . . 5.500 3.777 2.116 5.083 . 0 0 "[ . 1 . 2 . 3 .]" 1 595 1 41 VAL QG 1 42 THR H . . 5.200 2.721 2.025 3.394 . 0 0 "[ . 1 . 2 . 3 .]" 1 596 1 41 VAL QG 1 45 SER HG . . 7.000 5.139 3.717 6.371 . 0 0 "[ . 1 . 2 . 3 .]" 1 597 1 41 VAL QG 1 57 PHE CG . . 9.000 4.092 3.202 5.037 . 0 0 "[ . 1 . 2 . 3 .]" 1 598 1 41 VAL QG 1 57 PHE CZ . . 9.000 4.622 3.549 5.784 . 0 0 "[ . 1 . 2 . 3 .]" 1 599 1 41 VAL QG 1 57 PHE HZ . . 7.000 4.980 3.956 6.222 . 0 0 "[ . 1 . 2 . 3 .]" 1 600 1 41 VAL QG 1 59 VAL HA . . 7.000 3.294 2.393 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1 601 1 41 VAL QG 1 59 VAL QG . . 7.300 2.430 1.915 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1 602 1 41 VAL QG 1 79 PHE CZ . . 9.000 2.779 2.198 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 603 1 41 VAL QG 1 79 PHE HZ . . 7.000 2.688 1.950 5.093 . 0 0 "[ . 1 . 2 . 3 .]" 1 604 1 41 VAL QG 1 81 GLU HA . . 4.800 2.392 1.928 3.731 . 0 0 "[ . 1 . 2 . 3 .]" 1 605 1 41 VAL QG 1 82 GLY H . . 7.000 2.376 1.796 3.655 . 0 0 "[ . 1 . 2 . 3 .]" 1 606 1 41 VAL QG 1 83 GLN H . . 6.900 2.675 1.724 4.041 . 0 0 "[ . 1 . 2 . 3 .]" 1 607 1 41 VAL QG 1 85 ILE MD . . 5.800 3.391 2.106 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1 608 1 41 VAL QG 1 85 ILE HG13 . . 5.000 2.981 2.028 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1 609 1 41 VAL QG 1 85 ILE MG . . 5.200 2.960 2.134 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1 610 1 42 THR H 1 42 THR HB . . 3.900 2.385 2.087 2.915 . 0 0 "[ . 1 . 2 . 3 .]" 1 611 1 42 THR H 1 42 THR MG . . 4.800 3.443 2.087 3.778 . 0 0 "[ . 1 . 2 . 3 .]" 1 612 1 42 THR H 1 43 VAL H . . 4.400 4.111 2.776 4.516 0.116 33 0 "[ . 1 . 2 . 3 .]" 1 613 1 42 THR H 1 43 VAL HA . . 6.000 5.471 4.907 5.757 . 0 0 "[ . 1 . 2 . 3 .]" 1 614 1 42 THR H 1 45 SER HB3 . . 6.000 4.838 3.531 6.830 0.830 13 1 "[ . 1 + . 2 . 3 .]" 1 615 1 42 THR H 1 45 SER HG . . 6.000 4.575 2.890 6.020 0.020 2 0 "[ . 1 . 2 . 3 .]" 1 616 1 42 THR H 1 58 ALA H . . 6.000 5.171 4.089 6.031 0.031 13 0 "[ . 1 . 2 . 3 .]" 1 617 1 42 THR H 1 59 VAL H . . 6.000 5.583 4.574 6.045 0.045 3 0 "[ . 1 . 2 . 3 .]" 1 618 1 42 THR H 1 59 VAL HA . . 4.000 3.337 2.531 4.017 0.017 19 0 "[ . 1 . 2 . 3 .]" 1 619 1 42 THR H 1 59 VAL QG . . 7.000 4.177 3.472 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1 620 1 42 THR HA 1 43 VAL H . . 3.600 2.702 2.071 3.627 0.027 12 0 "[ . 1 . 2 . 3 .]" 1 621 1 42 THR HA 1 43 VAL MG1 . . 6.400 3.777 3.019 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1 622 1 42 THR HA 1 43 VAL MG2 . . 6.600 5.496 5.254 5.632 . 0 0 "[ . 1 . 2 . 3 .]" 1 623 1 42 THR HA 1 44 GLY H . . 5.400 4.811 4.138 5.458 0.058 15 0 "[ . 1 . 2 . 3 .]" 1 624 1 42 THR HB 1 43 VAL H . . 5.000 3.506 1.956 4.579 . 0 0 "[ . 1 . 2 . 3 .]" 1 625 1 42 THR HB 1 45 SER H . . 5.500 4.298 2.200 5.555 0.055 23 0 "[ . 1 . 2 . 3 .]" 1 626 1 42 THR HB 1 45 SER HB2 . . 5.600 3.128 2.211 4.640 . 0 0 "[ . 1 . 2 . 3 .]" 1 627 1 42 THR HB 1 45 SER HB3 . . 6.000 4.054 3.172 5.758 . 0 0 "[ . 1 . 2 . 3 .]" 1 628 1 42 THR HB 1 45 SER HG . . 5.200 3.016 2.032 4.995 . 0 0 "[ . 1 . 2 . 3 .]" 1 629 1 42 THR HB 1 58 ALA H . . 6.000 5.141 3.762 6.061 0.061 29 0 "[ . 1 . 2 . 3 .]" 1 630 1 42 THR HB 1 58 ALA MB . . 6.700 3.855 2.556 4.724 . 0 0 "[ . 1 . 2 . 3 .]" 1 631 1 42 THR MG 1 43 VAL H . . 5.600 2.560 1.858 4.032 . 0 0 "[ . 1 . 2 . 3 .]" 1 632 1 42 THR MG 1 43 VAL HB . . 5.900 4.378 3.671 5.036 . 0 0 "[ . 1 . 2 . 3 .]" 1 633 1 42 THR MG 1 43 VAL MG1 . . 6.400 2.750 1.988 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1 634 1 42 THR MG 1 44 GLY H . . 6.500 2.644 1.854 4.791 . 0 0 "[ . 1 . 2 . 3 .]" 1 635 1 42 THR MG 1 45 SER H . . 7.000 3.526 2.254 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1 636 1 42 THR MG 1 45 SER HA . . 5.300 4.164 3.155 4.471 . 0 0 "[ . 1 . 2 . 3 .]" 1 637 1 42 THR MG 1 45 SER HB2 . . 4.600 3.354 2.146 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1 638 1 42 THR MG 1 45 SER HB3 . . 5.100 4.031 3.241 4.279 . 0 0 "[ . 1 . 2 . 3 .]" 1 639 1 42 THR MG 1 45 SER HG . . 4.800 2.365 1.885 2.732 . 0 0 "[ . 1 . 2 . 3 .]" 1 640 1 43 VAL H 1 43 VAL HB . . 3.900 2.937 2.414 3.798 . 0 0 "[ . 1 . 2 . 3 .]" 1 641 1 43 VAL H 1 43 VAL MG1 . . 3.400 2.429 1.937 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1 642 1 43 VAL H 1 43 VAL MG2 . . 4.800 3.867 3.705 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1 643 1 43 VAL H 1 44 GLY H . . 3.200 2.817 2.003 3.307 0.107 35 0 "[ . 1 . 2 . 3 .]" 1 644 1 43 VAL H 1 45 SER H . . 5.600 4.280 2.334 5.573 . 0 0 "[ . 1 . 2 . 3 .]" 1 645 1 43 VAL H 1 45 SER HB2 . . 6.000 4.865 3.506 6.204 0.204 23 0 "[ . 1 . 2 . 3 .]" 1 646 1 43 VAL H 1 45 SER HG . . 6.000 5.088 3.708 6.033 0.033 2 0 "[ . 1 . 2 . 3 .]" 1 647 1 43 VAL H 1 81 GLU HB2 . . 6.000 5.533 3.756 6.084 0.084 9 0 "[ . 1 . 2 . 3 .]" 1 648 1 43 VAL H 1 81 GLU HB3 . . 6.000 4.328 2.525 5.385 . 0 0 "[ . 1 . 2 . 3 .]" 1 649 1 43 VAL HA 1 44 GLY H . . 3.700 3.252 2.114 3.633 . 0 0 "[ . 1 . 2 . 3 .]" 1 650 1 43 VAL HA 1 45 SER H . . 4.700 4.373 3.787 4.814 0.114 13 0 "[ . 1 . 2 . 3 .]" 1 651 1 43 VAL HA 1 81 GLU HA . . 4.700 4.227 3.097 4.752 0.052 29 0 "[ . 1 . 2 . 3 .]" 1 652 1 43 VAL HA 1 81 GLU HB2 . . 6.000 3.198 2.453 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1 653 1 43 VAL HA 1 81 GLU HB3 . . 5.800 2.342 2.053 3.121 . 0 0 "[ . 1 . 2 . 3 .]" 1 654 1 43 VAL HA 1 82 GLY H . . 6.000 3.027 2.311 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1 655 1 43 VAL HA 1 82 GLY QA . . 4.000 3.438 2.650 4.352 0.352 2 0 "[ . 1 . 2 . 3 .]" 1 656 1 43 VAL HB 1 44 GLY H . . 4.500 4.070 3.800 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1 657 1 43 VAL HB 1 82 GLY H . . 6.000 4.230 2.170 5.790 . 0 0 "[ . 1 . 2 . 3 .]" 1 658 1 43 VAL MG1 1 44 GLY H . . 5.000 2.597 1.918 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1 659 1 43 VAL MG1 1 82 GLY H . . 6.300 5.200 3.843 6.334 0.034 22 0 "[ . 1 . 2 . 3 .]" 1 660 1 43 VAL MG1 1 82 GLY QA . . 7.000 4.382 2.970 5.313 . 0 0 "[ . 1 . 2 . 3 .]" 1 661 1 43 VAL MG2 1 44 GLY H . . 4.700 3.523 3.122 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1 662 1 43 VAL MG2 1 45 SER H . . 6.700 5.045 4.474 5.674 . 0 0 "[ . 1 . 2 . 3 .]" 1 663 1 43 VAL MG2 1 82 GLY QA . . 7.000 3.605 2.367 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 664 1 44 GLY H 1 45 SER H . . 3.700 2.888 1.945 3.739 0.039 14 0 "[ . 1 . 2 . 3 .]" 1 665 1 44 GLY H 1 45 SER HB2 . . 5.800 4.547 3.834 5.155 . 0 0 "[ . 1 . 2 . 3 .]" 1 666 1 44 GLY H 1 45 SER HG . . 6.000 4.332 3.712 5.163 . 0 0 "[ . 1 . 2 . 3 .]" 1 667 1 44 GLY H 1 46 MET H . . 6.000 4.841 3.166 6.016 0.016 20 0 "[ . 1 . 2 . 3 .]" 1 668 1 44 GLY HA2 1 45 SER H . . 4.100 2.770 2.395 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 669 1 44 GLY HA2 1 46 MET H . . 6.000 3.794 3.011 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1 670 1 44 GLY HA3 1 45 SER H . . 4.500 3.550 3.113 3.641 . 0 0 "[ . 1 . 2 . 3 .]" 1 671 1 44 GLY HA3 1 46 MET H . . 6.000 4.991 4.051 5.639 . 0 0 "[ . 1 . 2 . 3 .]" 1 672 1 45 SER H 1 45 SER HB3 . . 4.000 3.787 3.397 4.051 0.051 24 0 "[ . 1 . 2 . 3 .]" 1 673 1 45 SER H 1 45 SER HG . . 3.700 3.450 2.731 3.782 0.082 30 0 "[ . 1 . 2 . 3 .]" 1 674 1 45 SER H 1 46 MET H . . 3.400 2.315 1.880 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1 675 1 45 SER H 1 46 MET HB2 . . 5.800 4.389 3.421 5.847 0.047 10 0 "[ . 1 . 2 . 3 .]" 1 676 1 45 SER H 1 58 ALA H . . 5.800 5.153 4.291 5.663 . 0 0 "[ . 1 . 2 . 3 .]" 1 677 1 45 SER H 1 58 ALA MB . . 7.000 5.304 4.530 5.857 . 0 0 "[ . 1 . 2 . 3 .]" 1 678 1 45 SER HA 1 45 SER HB2 . . 3.100 3.034 2.985 3.053 . 0 0 "[ . 1 . 2 . 3 .]" 1 679 1 45 SER HA 1 46 MET H . . 4.100 3.391 2.484 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1 680 1 45 SER HA 1 58 ALA H . . 5.700 4.182 3.274 5.165 . 0 0 "[ . 1 . 2 . 3 .]" 1 681 1 45 SER HA 1 58 ALA MB . . 7.000 4.061 3.009 5.073 . 0 0 "[ . 1 . 2 . 3 .]" 1 682 1 45 SER HB2 1 46 MET H . . 5.300 3.402 2.647 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1 683 1 45 SER HB2 1 58 ALA H . . 6.000 2.982 2.164 3.712 . 0 0 "[ . 1 . 2 . 3 .]" 1 684 1 45 SER HB2 1 58 ALA MB . . 7.000 3.261 2.210 4.068 . 0 0 "[ . 1 . 2 . 3 .]" 1 685 1 45 SER HB2 1 68 LEU MD2 . . 6.600 5.665 3.931 6.368 . 0 0 "[ . 1 . 2 . 3 .]" 1 686 1 45 SER HB3 1 46 MET H . . 6.000 4.095 3.437 4.523 . 0 0 "[ . 1 . 2 . 3 .]" 1 687 1 45 SER HB3 1 58 ALA H . . 6.000 2.282 1.973 3.392 . 0 0 "[ . 1 . 2 . 3 .]" 1 688 1 45 SER HB3 1 58 ALA MB . . 7.000 2.388 2.144 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1 689 1 45 SER HG 1 46 MET H . . 6.000 4.879 4.489 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 690 1 45 SER HG 1 57 PHE HA . . 6.000 5.886 4.979 6.129 0.129 35 0 "[ . 1 . 2 . 3 .]" 1 691 1 45 SER HG 1 58 ALA H . . 5.600 4.331 3.253 4.954 . 0 0 "[ . 1 . 2 . 3 .]" 1 692 1 46 MET H 1 46 MET HB2 . . 3.900 2.562 2.059 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1 693 1 46 MET H 1 46 MET HB3 . . 4.100 2.577 2.157 3.305 . 0 0 "[ . 1 . 2 . 3 .]" 1 694 1 46 MET H 1 46 MET ME . . 5.600 4.494 4.171 4.699 . 0 0 "[ . 1 . 2 . 3 .]" 1 695 1 46 MET H 1 46 MET QG . . 4.800 3.866 2.248 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1 696 1 46 MET H 1 47 VAL H . . 4.800 4.452 4.011 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1 697 1 46 MET H 1 47 VAL MG2 . . 7.000 5.390 4.832 5.819 . 0 0 "[ . 1 . 2 . 3 .]" 1 698 1 46 MET HA 1 46 MET ME . . 5.000 2.869 1.990 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1 699 1 46 MET HA 1 47 VAL H . . 3.000 2.225 2.135 2.323 . 0 0 "[ . 1 . 2 . 3 .]" 1 700 1 46 MET HA 1 47 VAL MG2 . . 6.500 3.934 3.712 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1 701 1 46 MET HA 1 57 PHE HA . . 3.300 2.656 2.244 3.324 0.024 17 0 "[ . 1 . 2 . 3 .]" 1 702 1 46 MET HA 1 57 PHE HB2 . . 5.900 3.191 2.648 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1 703 1 46 MET HA 1 57 PHE HB3 . . 4.900 2.391 2.166 2.701 . 0 0 "[ . 1 . 2 . 3 .]" 1 704 1 46 MET HA 1 58 ALA H . . 5.000 4.214 3.814 4.894 . 0 0 "[ . 1 . 2 . 3 .]" 1 705 1 46 MET HB2 1 46 MET ME . . 4.400 3.150 2.147 3.727 . 0 0 "[ . 1 . 2 . 3 .]" 1 706 1 46 MET HB2 1 47 VAL H . . 5.100 4.441 3.144 4.700 . 0 0 "[ . 1 . 2 . 3 .]" 1 707 1 46 MET HB2 1 57 PHE HB3 . . 6.000 3.505 2.633 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1 708 1 46 MET HB3 1 46 MET ME . . 4.400 3.146 2.199 3.739 . 0 0 "[ . 1 . 2 . 3 .]" 1 709 1 46 MET HB3 1 47 VAL H . . 5.500 4.315 3.889 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1 710 1 46 MET HB3 1 57 PHE HB2 . . 6.000 5.215 2.977 6.064 0.064 4 0 "[ . 1 . 2 . 3 .]" 1 711 1 46 MET ME 1 47 VAL H . . 7.000 3.090 2.158 4.623 . 0 0 "[ . 1 . 2 . 3 .]" 1 712 1 46 MET ME 1 55 VAL HB . . 4.900 2.723 2.059 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1 713 1 46 MET ME 1 57 PHE HA . . 7.000 4.429 3.211 5.864 . 0 0 "[ . 1 . 2 . 3 .]" 1 714 1 46 MET ME 1 57 PHE HB3 . . 6.900 3.128 2.005 4.896 . 0 0 "[ . 1 . 2 . 3 .]" 1 715 1 46 MET ME 1 75 LEU MD1 . . 7.100 2.642 1.833 4.998 . 0 0 "[ . 1 . 2 . 3 .]" 1 716 1 46 MET ME 1 75 LEU MD2 . . 7.500 4.253 2.807 5.225 . 0 0 "[ . 1 . 2 . 3 .]" 1 717 1 46 MET ME 1 79 PHE CZ . . 9.000 5.480 3.708 7.479 . 0 0 "[ . 1 . 2 . 3 .]" 1 718 1 46 MET QG 1 47 VAL H . . 6.000 3.544 2.564 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1 719 1 46 MET QG 1 48 ARG H . . 6.000 5.099 3.353 6.195 0.195 28 0 "[ . 1 . 2 . 3 .]" 1 720 1 46 MET QG 1 55 VAL MG1 . . 7.000 4.463 3.235 5.309 . 0 0 "[ . 1 . 2 . 3 .]" 1 721 1 46 MET QG 1 55 VAL MG2 . . 7.000 5.293 4.093 6.294 . 0 0 "[ . 1 . 2 . 3 .]" 1 722 1 46 MET QG 1 57 PHE HB2 . . 6.000 4.363 3.034 5.401 . 0 0 "[ . 1 . 2 . 3 .]" 1 723 1 46 MET QG 1 57 PHE HB3 . . 6.000 3.381 1.966 4.714 . 0 0 "[ . 1 . 2 . 3 .]" 1 724 1 46 MET QG 1 79 PHE CZ . . 8.000 5.311 2.708 8.204 0.204 24 0 "[ . 1 . 2 . 3 .]" 1 725 1 46 MET QG 1 81 GLU HB3 . . 6.000 5.877 5.120 6.925 0.925 5 4 "[ + 1** . 2 . - .]" 1 726 1 46 MET QG 1 81 GLU HG2 . . 5.700 4.267 3.457 5.279 . 0 0 "[ . 1 . 2 . 3 .]" 1 727 1 46 MET QG 1 81 GLU HG3 . . 5.600 3.977 2.908 5.756 0.156 20 0 "[ . 1 . 2 . 3 .]" 1 728 1 47 VAL H 1 47 VAL MG1 . . 4.700 3.071 2.818 3.382 . 0 0 "[ . 1 . 2 . 3 .]" 1 729 1 47 VAL H 1 47 VAL MG2 . . 4.400 2.297 2.127 2.455 . 0 0 "[ . 1 . 2 . 3 .]" 1 730 1 47 VAL H 1 48 ARG H . . 4.600 4.329 4.095 4.537 . 0 0 "[ . 1 . 2 . 3 .]" 1 731 1 47 VAL H 1 55 VAL MG1 . . 6.700 5.215 4.333 5.888 . 0 0 "[ . 1 . 2 . 3 .]" 1 732 1 47 VAL H 1 56 GLN H . . 3.200 3.163 2.946 3.272 0.072 7 0 "[ . 1 . 2 . 3 .]" 1 733 1 47 VAL H 1 56 GLN HG2 . . 6.000 4.578 3.938 5.306 . 0 0 "[ . 1 . 2 . 3 .]" 1 734 1 47 VAL H 1 56 GLN HG3 . . 6.000 3.502 3.070 3.880 . 0 0 "[ . 1 . 2 . 3 .]" 1 735 1 47 VAL H 1 57 PHE HA . . 3.500 3.383 3.215 3.526 0.026 4 0 "[ . 1 . 2 . 3 .]" 1 736 1 47 VAL H 1 57 PHE HB2 . . 6.000 4.941 4.445 5.275 . 0 0 "[ . 1 . 2 . 3 .]" 1 737 1 47 VAL H 1 57 PHE HB3 . . 6.000 3.798 3.359 4.160 . 0 0 "[ . 1 . 2 . 3 .]" 1 738 1 47 VAL HA 1 48 ARG H . . 3.000 2.175 2.069 2.338 . 0 0 "[ . 1 . 2 . 3 .]" 1 739 1 47 VAL HB 1 48 ARG H . . 5.200 3.104 2.604 3.642 . 0 0 "[ . 1 . 2 . 3 .]" 1 740 1 47 VAL HB 1 56 GLN H . . 6.000 5.115 4.818 5.327 . 0 0 "[ . 1 . 2 . 3 .]" 1 741 1 47 VAL HB 1 56 GLN HE21 . . 6.000 4.667 3.949 5.327 . 0 0 "[ . 1 . 2 . 3 .]" 1 742 1 47 VAL HB 1 56 GLN HE22 . . 6.000 5.960 5.578 6.015 0.015 23 0 "[ . 1 . 2 . 3 .]" 1 743 1 47 VAL HB 1 56 GLN HG2 . . 6.000 5.051 4.454 5.532 . 0 0 "[ . 1 . 2 . 3 .]" 1 744 1 47 VAL MG1 1 48 ARG H . . 5.600 3.879 3.521 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1 745 1 47 VAL MG1 1 56 GLN H . . 6.500 5.270 5.144 5.512 . 0 0 "[ . 1 . 2 . 3 .]" 1 746 1 47 VAL MG1 1 56 GLN HE21 . . 7.000 4.184 3.865 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1 747 1 47 VAL MG1 1 56 GLN HE22 . . 6.800 5.349 4.862 5.777 . 0 0 "[ . 1 . 2 . 3 .]" 1 748 1 47 VAL MG1 1 56 GLN HG2 . . 7.000 5.404 4.963 6.176 . 0 0 "[ . 1 . 2 . 3 .]" 1 749 1 47 VAL MG1 1 57 PHE CG . . 9.000 7.465 7.167 7.747 . 0 0 "[ . 1 . 2 . 3 .]" 1 750 1 47 VAL MG1 1 57 PHE HA . . 7.000 4.732 4.501 5.246 . 0 0 "[ . 1 . 2 . 3 .]" 1 751 1 47 VAL MG2 1 48 ARG H . . 7.000 3.971 3.625 4.292 . 0 0 "[ . 1 . 2 . 3 .]" 1 752 1 47 VAL MG2 1 56 GLN H . . 7.000 3.190 2.880 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1 753 1 47 VAL MG2 1 56 GLN HB3 . . 5.500 4.413 4.250 4.685 . 0 0 "[ . 1 . 2 . 3 .]" 1 754 1 47 VAL MG2 1 56 GLN HE21 . . 7.000 2.143 1.928 2.408 . 0 0 "[ . 1 . 2 . 3 .]" 1 755 1 47 VAL MG2 1 56 GLN HE22 . . 6.700 3.348 3.132 3.666 . 0 0 "[ . 1 . 2 . 3 .]" 1 756 1 47 VAL MG2 1 56 GLN HG2 . . 7.000 2.677 2.213 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1 757 1 48 ARG H 1 48 ARG HB2 . . 4.100 3.769 3.679 3.895 . 0 0 "[ . 1 . 2 . 3 .]" 1 758 1 48 ARG H 1 48 ARG HB3 . . 3.800 3.151 2.773 3.409 . 0 0 "[ . 1 . 2 . 3 .]" 1 759 1 48 ARG H 1 48 ARG QD . . 5.900 3.684 2.122 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1 760 1 48 ARG H 1 49 ASP H . . 5.800 4.481 4.375 4.594 . 0 0 "[ . 1 . 2 . 3 .]" 1 761 1 48 ARG HA 1 49 ASP H . . 3.100 2.300 2.222 2.371 . 0 0 "[ . 1 . 2 . 3 .]" 1 762 1 48 ARG HA 1 55 VAL HA . . 3.100 2.119 2.059 2.170 . 0 0 "[ . 1 . 2 . 3 .]" 1 763 1 48 ARG HA 1 55 VAL HB . . 6.000 3.815 2.950 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1 764 1 48 ARG HA 1 55 VAL MG2 . . 5.400 4.511 4.273 4.869 . 0 0 "[ . 1 . 2 . 3 .]" 1 765 1 48 ARG HA 1 56 GLN H . . 3.300 3.360 3.246 3.420 0.120 23 0 "[ . 1 . 2 . 3 .]" 1 766 1 48 ARG HB2 1 49 ASP H . . 4.100 2.958 2.685 3.281 . 0 0 "[ . 1 . 2 . 3 .]" 1 767 1 48 ARG HB2 1 55 VAL HA . . 6.000 3.915 3.563 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1 768 1 48 ARG HB2 1 55 VAL HB . . 4.800 4.616 3.906 5.306 0.506 15 2 "[ . 1 + 2 . -3 .]" 1 769 1 48 ARG HB2 1 55 VAL MG1 . . 5.700 2.207 1.988 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 770 1 48 ARG HB2 1 55 VAL MG2 . . 5.600 4.733 4.222 4.959 . 0 0 "[ . 1 . 2 . 3 .]" 1 771 1 48 ARG HB3 1 49 ASP H . . 4.300 4.086 3.935 4.312 0.012 5 0 "[ . 1 . 2 . 3 .]" 1 772 1 48 ARG HB3 1 55 VAL MG1 . . 5.700 2.190 1.954 2.543 . 0 0 "[ . 1 . 2 . 3 .]" 1 773 1 48 ARG HB3 1 55 VAL MG2 . . 5.900 4.624 4.240 4.933 . 0 0 "[ . 1 . 2 . 3 .]" 1 774 1 48 ARG QD 1 49 ASP H . . 7.000 4.877 3.380 5.742 . 0 0 "[ . 1 . 2 . 3 .]" 1 775 1 48 ARG QD 1 55 VAL HB . . 7.000 5.512 4.456 6.301 . 0 0 "[ . 1 . 2 . 3 .]" 1 776 1 48 ARG QD 1 55 VAL MG1 . . 8.000 3.510 3.114 4.030 . 0 0 "[ . 1 . 2 . 3 .]" 1 777 1 48 ARG QD 1 55 VAL MG2 . . 8.000 5.561 5.012 5.936 . 0 0 "[ . 1 . 2 . 3 .]" 1 778 1 48 ARG QG 1 49 ASP H . . 7.000 4.086 3.654 4.575 . 0 0 "[ . 1 . 2 . 3 .]" 1 779 1 48 ARG QG 1 55 VAL HB . . 7.000 5.709 4.970 6.300 . 0 0 "[ . 1 . 2 . 3 .]" 1 780 1 48 ARG QG 1 55 VAL MG2 . . 8.000 5.886 5.465 6.145 . 0 0 "[ . 1 . 2 . 3 .]" 1 781 1 49 ASP H 1 49 ASP HB2 . . 3.600 2.248 2.094 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1 782 1 49 ASP H 1 49 ASP HB3 . . 3.400 3.513 3.381 3.685 0.285 11 0 "[ . 1 . 2 . 3 .]" 1 783 1 49 ASP H 1 51 ASN H . . 6.000 4.751 4.054 5.231 . 0 0 "[ . 1 . 2 . 3 .]" 1 784 1 49 ASP H 1 51 ASN HD21 . . 6.000 5.011 4.438 5.434 . 0 0 "[ . 1 . 2 . 3 .]" 1 785 1 49 ASP H 1 52 SER H . . 6.000 4.148 3.721 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1 786 1 49 ASP H 1 53 LEU H . . 6.000 4.979 4.291 5.964 . 0 0 "[ . 1 . 2 . 3 .]" 1 787 1 49 ASP H 1 54 HIS H . . 3.700 3.751 3.617 3.839 0.139 11 0 "[ . 1 . 2 . 3 .]" 1 788 1 49 ASP H 1 55 VAL HA . . 3.600 3.264 2.917 3.603 0.003 11 0 "[ . 1 . 2 . 3 .]" 1 789 1 49 ASP H 1 55 VAL HB . . 6.000 5.332 4.463 6.037 0.037 11 0 "[ . 1 . 2 . 3 .]" 1 790 1 49 ASP H 1 55 VAL MG1 . . 6.400 3.130 2.413 3.708 . 0 0 "[ . 1 . 2 . 3 .]" 1 791 1 49 ASP H 1 55 VAL MG2 . . 6.700 5.000 4.478 5.419 . 0 0 "[ . 1 . 2 . 3 .]" 1 792 1 49 ASP HA 1 50 PRO HD2 . . 4.300 2.395 2.236 2.656 . 0 0 "[ . 1 . 2 . 3 .]" 1 793 1 49 ASP HA 1 50 PRO HD3 . . 4.600 2.477 2.273 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 794 1 49 ASP HA 1 50 PRO HG3 . . 6.000 4.637 4.574 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1 795 1 49 ASP HA 1 51 ASN H . . 5.700 3.936 3.692 4.292 . 0 0 "[ . 1 . 2 . 3 .]" 1 796 1 49 ASP HA 1 51 ASN HD21 . . 6.000 4.636 4.048 5.367 . 0 0 "[ . 1 . 2 . 3 .]" 1 797 1 49 ASP HB2 1 51 ASN H . . 6.000 3.369 2.525 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1 798 1 49 ASP HB2 1 51 ASN HD21 . . 6.000 2.865 2.145 3.420 . 0 0 "[ . 1 . 2 . 3 .]" 1 799 1 49 ASP HB2 1 54 HIS H . . 5.900 3.081 2.469 4.236 . 0 0 "[ . 1 . 2 . 3 .]" 1 800 1 49 ASP HB2 1 54 HIS QB . . 5.300 2.191 1.956 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1 801 1 49 ASP HB3 1 51 ASN HD21 . . 6.000 2.278 2.029 2.948 . 0 0 "[ . 1 . 2 . 3 .]" 1 802 1 49 ASP HB3 1 53 LEU H . . 6.000 4.808 3.949 6.764 0.764 11 1 "[ . 1+ . 2 . 3 .]" 1 803 1 49 ASP HB3 1 54 HIS H . . 6.000 4.458 3.739 5.899 . 0 0 "[ . 1 . 2 . 3 .]" 1 804 1 49 ASP HB3 1 54 HIS QB . . 5.800 3.340 2.896 3.579 . 0 0 "[ . 1 . 2 . 3 .]" 1 805 1 49 ASP HB3 1 54 HIS HD2 . . 6.000 4.555 4.004 6.246 0.246 11 0 "[ . 1 . 2 . 3 .]" 1 806 1 50 PRO HA 1 50 PRO HG2 . . 4.000 3.842 3.806 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1 807 1 50 PRO HA 1 50 PRO HG3 . . 4.200 4.149 4.111 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1 808 1 50 PRO HA 1 51 ASN H . . 3.900 3.330 2.763 3.531 . 0 0 "[ . 1 . 2 . 3 .]" 1 809 1 50 PRO HA 1 52 SER H . . 5.700 3.471 3.026 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1 810 1 50 PRO HA 1 53 LEU QD . . 7.000 6.398 6.146 6.476 . 0 0 "[ . 1 . 2 . 3 .]" 1 811 1 50 PRO HB2 1 51 ASN H . . 5.700 3.884 3.428 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1 812 1 50 PRO HB3 1 50 PRO HD3 . . 4.300 2.867 2.787 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1 813 1 50 PRO HB3 1 50 PRO HG2 . . 3.100 3.034 3.029 3.039 . 0 0 "[ . 1 . 2 . 3 .]" 1 814 1 50 PRO HB3 1 51 ASN H . . 5.200 4.379 4.096 4.680 . 0 0 "[ . 1 . 2 . 3 .]" 1 815 1 50 PRO HD2 1 51 ASN H . . 6.000 2.921 2.227 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1 816 1 50 PRO HD2 1 53 LEU QD . . 7.000 6.399 5.793 6.693 . 0 0 "[ . 1 . 2 . 3 .]" 1 817 1 50 PRO HD3 1 51 ASN H . . 6.000 3.979 3.584 4.575 . 0 0 "[ . 1 . 2 . 3 .]" 1 818 1 50 PRO HG2 1 51 ASN H . . 6.000 2.962 2.223 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1 819 1 50 PRO HG2 1 51 ASN HA . . 6.000 4.468 3.866 4.923 . 0 0 "[ . 1 . 2 . 3 .]" 1 820 1 50 PRO HG2 1 51 ASN HD21 . . 6.000 4.858 3.659 5.661 . 0 0 "[ . 1 . 2 . 3 .]" 1 821 1 50 PRO HG3 1 51 ASN H . . 6.000 4.367 3.741 5.432 . 0 0 "[ . 1 . 2 . 3 .]" 1 822 1 51 ASN H 1 51 ASN HB2 . . 3.700 2.615 2.414 2.972 . 0 0 "[ . 1 . 2 . 3 .]" 1 823 1 51 ASN H 1 51 ASN HB3 . . 4.100 3.603 3.570 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1 824 1 51 ASN H 1 51 ASN HD21 . . 6.000 3.187 2.367 3.930 . 0 0 "[ . 1 . 2 . 3 .]" 1 825 1 51 ASN H 1 51 ASN HD22 . . 5.800 3.781 3.472 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1 826 1 51 ASN H 1 52 SER H . . 3.300 2.572 1.962 2.911 . 0 0 "[ . 1 . 2 . 3 .]" 1 827 1 51 ASN H 1 52 SER HA . . 5.000 4.752 4.058 5.037 0.037 27 0 "[ . 1 . 2 . 3 .]" 1 828 1 51 ASN H 1 53 LEU H . . 5.300 4.362 3.572 4.830 . 0 0 "[ . 1 . 2 . 3 .]" 1 829 1 51 ASN HA 1 51 ASN HD22 . . 5.400 4.675 4.112 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1 830 1 51 ASN HA 1 52 SER H . . 4.200 3.544 3.477 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1 831 1 51 ASN HA 1 53 LEU QD . . 6.700 3.564 3.123 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1 832 1 51 ASN HB2 1 51 ASN HD22 . . 3.600 3.532 3.367 3.663 0.063 29 0 "[ . 1 . 2 . 3 .]" 1 833 1 51 ASN HB2 1 52 SER H . . 4.400 2.857 2.473 3.285 . 0 0 "[ . 1 . 2 . 3 .]" 1 834 1 51 ASN HB2 1 53 LEU H . . 6.000 2.622 2.219 2.979 . 0 0 "[ . 1 . 2 . 3 .]" 1 835 1 51 ASN HB2 1 54 HIS H . . 5.500 3.181 2.594 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1 836 1 51 ASN HB2 1 54 HIS QB . . 5.800 3.132 2.352 3.671 . 0 0 "[ . 1 . 2 . 3 .]" 1 837 1 51 ASN HB3 1 51 ASN HD22 . . 4.100 3.968 3.882 4.130 0.030 29 0 "[ . 1 . 2 . 3 .]" 1 838 1 51 ASN HB3 1 52 SER H . . 4.100 3.921 3.573 4.225 0.125 23 0 "[ . 1 . 2 . 3 .]" 1 839 1 51 ASN HB3 1 53 LEU H . . 6.000 3.230 2.766 3.633 . 0 0 "[ . 1 . 2 . 3 .]" 1 840 1 51 ASN HB3 1 54 HIS H . . 6.000 4.392 3.583 5.360 . 0 0 "[ . 1 . 2 . 3 .]" 1 841 1 52 SER H 1 52 SER HB2 . . 4.200 3.751 3.642 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1 842 1 52 SER H 1 53 LEU H . . 3.800 2.676 2.576 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1 843 1 52 SER H 1 53 LEU QD . . 7.000 4.059 3.505 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1 844 1 52 SER H 1 54 HIS H . . 5.800 3.618 3.146 3.922 . 0 0 "[ . 1 . 2 . 3 .]" 1 845 1 52 SER H 1 54 HIS HD2 . . 6.000 5.936 5.385 6.044 0.044 10 0 "[ . 1 . 2 . 3 .]" 1 846 1 52 SER HA 1 53 LEU H . . 3.600 3.140 2.808 3.514 . 0 0 "[ . 1 . 2 . 3 .]" 1 847 1 52 SER HA 1 53 LEU QD . . 5.900 4.571 4.070 4.975 . 0 0 "[ . 1 . 2 . 3 .]" 1 848 1 52 SER HA 1 54 HIS H . . 5.300 4.032 3.386 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1 849 1 52 SER HA 1 74 LEU MD2 . . 6.300 4.381 3.178 4.911 . 0 0 "[ . 1 . 2 . 3 .]" 1 850 1 52 SER HB2 1 53 LEU H . . 4.600 3.867 3.077 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1 851 1 52 SER HB2 1 53 LEU QD . . 7.000 3.692 2.515 4.571 . 0 0 "[ . 1 . 2 . 3 .]" 1 852 1 52 SER HB2 1 74 LEU MD2 . . 7.000 4.473 4.018 5.150 . 0 0 "[ . 1 . 2 . 3 .]" 1 853 1 52 SER HB3 1 53 LEU H . . 4.600 4.437 4.090 4.532 . 0 0 "[ . 1 . 2 . 3 .]" 1 854 1 52 SER HB3 1 54 HIS H . . 6.000 5.875 5.397 6.415 0.415 30 0 "[ . 1 . 2 . 3 .]" 1 855 1 52 SER HB3 1 74 LEU MD1 . . 6.500 3.833 2.654 4.777 . 0 0 "[ . 1 . 2 . 3 .]" 1 856 1 52 SER HB3 1 74 LEU MD2 . . 6.200 3.366 2.438 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1 857 1 53 LEU H 1 53 LEU HB2 . . 4.100 3.770 3.461 3.898 . 0 0 "[ . 1 . 2 . 3 .]" 1 858 1 53 LEU H 1 53 LEU HG . . 4.900 2.545 1.962 4.235 . 0 0 "[ . 1 . 2 . 3 .]" 1 859 1 53 LEU H 1 54 HIS H . . 3.800 2.197 1.961 2.827 . 0 0 "[ . 1 . 2 . 3 .]" 1 860 1 53 LEU H 1 55 VAL MG2 . . 6.500 5.663 4.761 6.359 . 0 0 "[ . 1 . 2 . 3 .]" 1 861 1 53 LEU HA 1 53 LEU QD . . 4.000 3.282 3.079 3.368 . 0 0 "[ . 1 . 2 . 3 .]" 1 862 1 53 LEU HA 1 54 HIS H . . 4.100 3.322 2.881 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1 863 1 53 LEU HA 1 73 ASP HA . . 3.600 3.132 2.324 3.683 0.083 23 0 "[ . 1 . 2 . 3 .]" 1 864 1 53 LEU HA 1 74 LEU MD1 . . 7.000 2.983 2.272 4.017 . 0 0 "[ . 1 . 2 . 3 .]" 1 865 1 53 LEU HA 1 74 LEU MD2 . . 7.000 4.579 3.747 5.666 . 0 0 "[ . 1 . 2 . 3 .]" 1 866 1 53 LEU HA 1 74 LEU HG . . 6.000 3.328 2.377 5.458 . 0 0 "[ . 1 . 2 . 3 .]" 1 867 1 53 LEU HB2 1 54 HIS H . . 4.500 4.167 3.469 4.516 0.016 4 0 "[ . 1 . 2 . 3 .]" 1 868 1 53 LEU HB2 1 73 ASP HA . . 6.000 3.263 2.436 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1 869 1 53 LEU HB3 1 54 HIS H . . 4.700 4.526 4.230 4.716 0.016 15 0 "[ . 1 . 2 . 3 .]" 1 870 1 53 LEU HB3 1 73 ASP H . . 6.000 5.761 4.190 6.675 0.675 4 3 "[ *+. 1 . 2 - . 3 .]" 1 871 1 53 LEU HB3 1 73 ASP HA . . 6.000 3.877 3.103 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1 872 1 53 LEU HB3 1 74 LEU H . . 6.000 4.659 4.012 5.230 . 0 0 "[ . 1 . 2 . 3 .]" 1 873 1 53 LEU QD 1 54 HIS H . . 7.000 3.085 2.004 4.353 . 0 0 "[ . 1 . 2 . 3 .]" 1 874 1 53 LEU QD 1 73 ASP HA . . 6.700 4.390 3.582 5.045 . 0 0 "[ . 1 . 2 . 3 .]" 1 875 1 53 LEU QD 1 74 LEU H . . 5.900 5.226 4.471 5.592 . 0 0 "[ . 1 . 2 . 3 .]" 1 876 1 53 LEU HG 1 54 HIS H . . 6.000 3.765 2.211 5.745 . 0 0 "[ . 1 . 2 . 3 .]" 1 877 1 54 HIS H 1 54 HIS QB . . 3.500 2.507 2.218 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1 878 1 54 HIS H 1 55 VAL H . . 5.600 4.271 3.923 4.550 . 0 0 "[ . 1 . 2 . 3 .]" 1 879 1 54 HIS HA 1 55 VAL H . . 3.300 2.157 2.086 2.240 . 0 0 "[ . 1 . 2 . 3 .]" 1 880 1 54 HIS HA 1 72 ASP HA . . 3.200 2.379 2.070 2.934 . 0 0 "[ . 1 . 2 . 3 .]" 1 881 1 54 HIS HA 1 72 ASP QB . . 6.000 3.858 3.396 4.220 . 0 0 "[ . 1 . 2 . 3 .]" 1 882 1 54 HIS HA 1 73 ASP H . . 5.200 4.031 3.265 5.221 0.021 15 0 "[ . 1 . 2 . 3 .]" 1 883 1 54 HIS QB 1 55 VAL H . . 4.800 3.279 2.985 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1 884 1 54 HIS QB 1 72 ASP QB . . 6.000 4.811 4.297 5.443 . 0 0 "[ . 1 . 2 . 3 .]" 1 885 1 54 HIS HD2 1 72 ASP QB . . 6.000 5.520 4.226 6.138 0.138 21 0 "[ . 1 . 2 . 3 .]" 1 886 1 55 VAL H 1 55 VAL MG1 . . 4.600 3.403 3.115 3.731 . 0 0 "[ . 1 . 2 . 3 .]" 1 887 1 55 VAL H 1 55 VAL MG2 . . 4.500 2.303 2.177 2.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 888 1 55 VAL H 1 56 GLN H . . 5.200 4.285 3.998 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1 889 1 55 VAL H 1 71 TYR H . . 3.400 3.253 2.940 3.405 0.005 4 0 "[ . 1 . 2 . 3 .]" 1 890 1 55 VAL H 1 72 ASP HA . . 3.400 3.394 3.253 3.472 0.072 15 0 "[ . 1 . 2 . 3 .]" 1 891 1 55 VAL H 1 72 ASP QB . . 6.000 4.786 4.246 5.192 . 0 0 "[ . 1 . 2 . 3 .]" 1 892 1 55 VAL H 1 73 ASP H . . 6.000 4.394 3.322 5.946 . 0 0 "[ . 1 . 2 . 3 .]" 1 893 1 55 VAL HA 1 56 GLN H . . 3.000 2.262 2.161 2.325 . 0 0 "[ . 1 . 2 . 3 .]" 1 894 1 55 VAL HB 1 56 GLN H . . 3.800 3.228 2.498 3.791 . 0 0 "[ . 1 . 2 . 3 .]" 1 895 1 55 VAL MG1 1 56 GLN H . . 5.400 3.768 3.201 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1 896 1 55 VAL MG1 1 57 PHE CZ . . 9.000 7.806 7.241 8.275 . 0 0 "[ . 1 . 2 . 3 .]" 1 897 1 55 VAL MG1 1 71 TYR CG . . 9.000 5.705 5.283 6.119 . 0 0 "[ . 1 . 2 . 3 .]" 1 898 1 55 VAL MG1 1 71 TYR H . . 7.000 5.549 5.230 5.855 . 0 0 "[ . 1 . 2 . 3 .]" 1 899 1 55 VAL MG1 1 71 TYR HB2 . . 6.700 5.698 4.657 5.887 . 0 0 "[ . 1 . 2 . 3 .]" 1 900 1 55 VAL MG1 1 71 TYR HB3 . . 7.000 4.480 4.158 4.744 . 0 0 "[ . 1 . 2 . 3 .]" 1 901 1 55 VAL MG1 1 74 LEU HA . . 7.000 3.252 2.562 3.867 . 0 0 "[ . 1 . 2 . 3 .]" 1 902 1 55 VAL MG1 1 74 LEU MD1 . . 7.300 5.020 2.651 5.763 . 0 0 "[ . 1 . 2 . 3 .]" 1 903 1 55 VAL MG1 1 74 LEU MD2 . . 6.500 4.486 3.030 5.027 . 0 0 "[ . 1 . 2 . 3 .]" 1 904 1 55 VAL MG1 1 75 LEU H . . 7.000 3.956 2.854 4.776 . 0 0 "[ . 1 . 2 . 3 .]" 1 905 1 55 VAL MG1 1 75 LEU HB2 . . 6.700 3.944 3.167 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1 906 1 55 VAL MG1 1 75 LEU MD1 . . 7.200 3.006 2.113 5.294 . 0 0 "[ . 1 . 2 . 3 .]" 1 907 1 55 VAL MG1 1 75 LEU MD2 . . 7.600 4.394 2.489 5.252 . 0 0 "[ . 1 . 2 . 3 .]" 1 908 1 55 VAL MG1 1 75 LEU HG . . 6.400 3.734 2.402 4.818 . 0 0 "[ . 1 . 2 . 3 .]" 1 909 1 55 VAL MG2 1 56 GLN H . . 6.900 4.177 3.447 4.615 . 0 0 "[ . 1 . 2 . 3 .]" 1 910 1 55 VAL MG2 1 57 PHE CG . . 9.000 6.010 4.730 6.811 . 0 0 "[ . 1 . 2 . 3 .]" 1 911 1 55 VAL MG2 1 57 PHE CZ . . 9.000 6.166 5.071 7.023 . 0 0 "[ . 1 . 2 . 3 .]" 1 912 1 55 VAL MG2 1 71 TYR CG . . 9.000 3.286 2.985 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1 913 1 55 VAL MG2 1 71 TYR H . . 5.900 3.661 3.178 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1 914 1 55 VAL MG2 1 71 TYR HB2 . . 6.700 3.317 2.079 3.833 . 0 0 "[ . 1 . 2 . 3 .]" 1 915 1 55 VAL MG2 1 71 TYR HB3 . . 7.000 2.059 1.942 2.269 . 0 0 "[ . 1 . 2 . 3 .]" 1 916 1 55 VAL MG2 1 73 ASP H . . 7.000 3.385 2.636 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1 917 1 55 VAL MG2 1 74 LEU HG . . 6.400 4.529 3.833 5.337 . 0 0 "[ . 1 . 2 . 3 .]" 1 918 1 55 VAL MG2 1 75 LEU HB2 . . 5.600 3.602 2.893 4.627 . 0 0 "[ . 1 . 2 . 3 .]" 1 919 1 55 VAL MG2 1 75 LEU MD1 . . 7.300 2.493 1.885 4.009 . 0 0 "[ . 1 . 2 . 3 .]" 1 920 1 55 VAL MG2 1 75 LEU MD2 . . 7.500 3.012 1.807 3.693 . 0 0 "[ . 1 . 2 . 3 .]" 1 921 1 56 GLN H 1 56 GLN HB2 . . 4.200 3.905 3.840 3.986 . 0 0 "[ . 1 . 2 . 3 .]" 1 922 1 56 GLN H 1 56 GLN HB3 . . 4.200 3.429 3.123 3.632 . 0 0 "[ . 1 . 2 . 3 .]" 1 923 1 56 GLN H 1 56 GLN HE21 . . 6.000 4.795 4.544 5.004 . 0 0 "[ . 1 . 2 . 3 .]" 1 924 1 56 GLN H 1 56 GLN HE22 . . 6.000 6.049 5.982 6.104 0.104 7 0 "[ . 1 . 2 . 3 .]" 1 925 1 56 GLN H 1 56 GLN HG3 . . 5.100 2.787 2.468 3.219 . 0 0 "[ . 1 . 2 . 3 .]" 1 926 1 56 GLN H 1 57 PHE H . . 6.000 4.433 4.368 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1 927 1 56 GLN HA 1 56 GLN HG2 . . 3.700 3.796 3.728 3.940 0.240 9 0 "[ . 1 . 2 . 3 .]" 1 928 1 56 GLN HA 1 56 GLN HG3 . . 3.900 3.660 3.581 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1 929 1 56 GLN HA 1 57 PHE CG . . 8.000 4.309 4.112 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1 930 1 56 GLN HA 1 57 PHE H . . 3.100 2.288 2.195 2.385 . 0 0 "[ . 1 . 2 . 3 .]" 1 931 1 56 GLN HA 1 70 THR HA . . 3.100 2.499 2.295 2.631 . 0 0 "[ . 1 . 2 . 3 .]" 1 932 1 56 GLN HA 1 70 THR HB . . 6.000 4.780 4.341 5.060 . 0 0 "[ . 1 . 2 . 3 .]" 1 933 1 56 GLN HA 1 70 THR MG . . 5.200 3.913 3.458 4.116 . 0 0 "[ . 1 . 2 . 3 .]" 1 934 1 56 GLN HA 1 71 TYR H . . 3.300 3.115 2.798 3.331 0.031 35 0 "[ . 1 . 2 . 3 .]" 1 935 1 56 GLN HB2 1 56 GLN HE22 . . 5.100 4.195 3.677 4.735 . 0 0 "[ . 1 . 2 . 3 .]" 1 936 1 56 GLN HB2 1 57 PHE H . . 4.400 2.666 2.493 2.897 . 0 0 "[ . 1 . 2 . 3 .]" 1 937 1 56 GLN HB2 1 68 LEU MD1 . . 7.000 5.201 4.616 5.787 . 0 0 "[ . 1 . 2 . 3 .]" 1 938 1 56 GLN HB2 1 70 THR HA . . 6.000 2.843 2.428 3.715 . 0 0 "[ . 1 . 2 . 3 .]" 1 939 1 56 GLN HB2 1 70 THR MG . . 5.800 2.646 2.366 3.084 . 0 0 "[ . 1 . 2 . 3 .]" 1 940 1 56 GLN HB2 1 71 TYR H . . 6.000 4.485 4.105 5.336 . 0 0 "[ . 1 . 2 . 3 .]" 1 941 1 56 GLN HB3 1 56 GLN HG2 . . 3.000 2.379 2.220 2.486 . 0 0 "[ . 1 . 2 . 3 .]" 1 942 1 56 GLN HB3 1 57 PHE H . . 4.900 3.849 3.670 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1 943 1 56 GLN HB3 1 70 THR HA . . 6.000 2.388 2.174 2.870 . 0 0 "[ . 1 . 2 . 3 .]" 1 944 1 56 GLN HB3 1 71 TYR H . . 6.000 3.284 2.955 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1 945 1 56 GLN HE21 1 56 GLN HG2 . . 3.500 3.190 2.520 3.578 0.078 24 0 "[ . 1 . 2 . 3 .]" 1 946 1 56 GLN HE21 1 68 LEU MD1 . . 5.600 4.845 4.276 5.027 . 0 0 "[ . 1 . 2 . 3 .]" 1 947 1 56 GLN HE21 1 68 LEU MD2 . . 5.800 3.566 2.683 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1 948 1 56 GLN HE22 1 56 GLN HG2 . . 4.100 3.910 3.580 4.134 0.034 20 0 "[ . 1 . 2 . 3 .]" 1 949 1 56 GLN HE22 1 68 LEU MD1 . . 5.700 4.297 3.367 4.926 . 0 0 "[ . 1 . 2 . 3 .]" 1 950 1 56 GLN HE22 1 68 LEU MD2 . . 6.000 3.639 2.345 4.450 . 0 0 "[ . 1 . 2 . 3 .]" 1 951 1 56 GLN HG2 1 57 PHE H . . 6.000 5.007 4.746 5.257 . 0 0 "[ . 1 . 2 . 3 .]" 1 952 1 56 GLN HG2 1 70 THR MG . . 6.000 4.164 3.608 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1 953 1 56 GLN HG3 1 57 PHE H . . 5.800 4.082 3.727 4.498 . 0 0 "[ . 1 . 2 . 3 .]" 1 954 1 56 GLN HG3 1 70 THR MG . . 6.100 4.511 4.205 4.884 . 0 0 "[ . 1 . 2 . 3 .]" 1 955 1 57 PHE CG 1 58 ALA H . . 8.000 4.306 3.979 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1 956 1 57 PHE CG 1 59 VAL QG . . 8.000 4.217 3.310 5.256 . 0 0 "[ . 1 . 2 . 3 .]" 1 957 1 57 PHE CG 1 69 VAL MG1 . . 9.000 4.295 3.124 5.195 . 0 0 "[ . 1 . 2 . 3 .]" 1 958 1 57 PHE CG 1 69 VAL MG2 . . 9.000 4.477 3.023 4.941 . 0 0 "[ . 1 . 2 . 3 .]" 1 959 1 57 PHE CG 1 75 LEU MD1 . . 9.000 4.386 3.768 4.913 . 0 0 "[ . 1 . 2 . 3 .]" 1 960 1 57 PHE CG 1 75 LEU MD2 . . 9.000 4.979 4.505 5.804 . 0 0 "[ . 1 . 2 . 3 .]" 1 961 1 57 PHE CG 1 79 PHE CZ . . 10.000 3.866 3.216 6.005 . 0 0 "[ . 1 . 2 . 3 .]" 1 962 1 57 PHE CZ 1 57 PHE H . . 7.000 4.925 4.709 5.077 . 0 0 "[ . 1 . 2 . 3 .]" 1 963 1 57 PHE CZ 1 59 VAL QG . . 8.000 4.067 3.189 5.344 . 0 0 "[ . 1 . 2 . 3 .]" 1 964 1 57 PHE CZ 1 69 VAL HB . . 8.000 3.359 2.885 5.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 965 1 57 PHE CZ 1 69 VAL MG1 . . 9.000 2.980 2.656 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 966 1 57 PHE CZ 1 69 VAL MG2 . . 9.000 3.749 2.466 4.475 . 0 0 "[ . 1 . 2 . 3 .]" 1 967 1 57 PHE CZ 1 71 TYR CG . . 10.000 5.923 5.332 6.659 . 0 0 "[ . 1 . 2 . 3 .]" 1 968 1 57 PHE CZ 1 71 TYR CZ . . 10.000 7.008 4.708 8.119 . 0 0 "[ . 1 . 2 . 3 .]" 1 969 1 57 PHE CZ 1 75 LEU MD2 . . 8.700 4.105 3.442 5.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 970 1 57 PHE CZ 1 79 PHE CG . . 9.100 4.993 3.974 5.663 . 0 0 "[ . 1 . 2 . 3 .]" 1 971 1 57 PHE CZ 1 79 PHE CZ . . 10.000 4.106 3.155 5.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 972 1 57 PHE CZ 1 85 ILE HB . . 8.000 6.630 6.419 6.874 . 0 0 "[ . 1 . 2 . 3 .]" 1 973 1 57 PHE CZ 1 85 ILE MD . . 8.800 3.210 2.906 3.568 . 0 0 "[ . 1 . 2 . 3 .]" 1 974 1 57 PHE CZ 1 85 ILE HG13 . . 8.000 5.485 4.684 6.010 . 0 0 "[ . 1 . 2 . 3 .]" 1 975 1 57 PHE CZ 1 85 ILE MG . . 9.000 6.237 5.696 6.594 . 0 0 "[ . 1 . 2 . 3 .]" 1 976 1 57 PHE CZ 1 102 VAL MG2 . . 9.000 4.924 4.370 5.996 . 0 0 "[ . 1 . 2 . 3 .]" 1 977 1 57 PHE H 1 57 PHE HZ . . 6.000 5.886 5.696 6.023 0.023 29 0 "[ . 1 . 2 . 3 .]" 1 978 1 57 PHE H 1 58 ALA H . . 4.800 4.361 4.265 4.432 . 0 0 "[ . 1 . 2 . 3 .]" 1 979 1 57 PHE H 1 68 LEU MD2 . . 5.100 3.480 3.007 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1 980 1 57 PHE H 1 69 VAL H . . 3.200 3.126 2.991 3.222 0.022 3 0 "[ . 1 . 2 . 3 .]" 1 981 1 57 PHE H 1 69 VAL HB . . 6.000 3.625 3.298 5.550 . 0 0 "[ . 1 . 2 . 3 .]" 1 982 1 57 PHE H 1 69 VAL MG1 . . 6.700 4.278 3.119 5.043 . 0 0 "[ . 1 . 2 . 3 .]" 1 983 1 57 PHE H 1 69 VAL MG2 . . 6.500 4.616 2.998 4.944 . 0 0 "[ . 1 . 2 . 3 .]" 1 984 1 57 PHE H 1 70 THR HA . . 3.600 3.624 3.539 3.668 0.068 25 0 "[ . 1 . 2 . 3 .]" 1 985 1 57 PHE HA 1 58 ALA H . . 3.500 2.270 2.121 2.426 . 0 0 "[ . 1 . 2 . 3 .]" 1 986 1 57 PHE HB2 1 58 ALA H . . 3.800 2.789 2.431 3.213 . 0 0 "[ . 1 . 2 . 3 .]" 1 987 1 57 PHE HB3 1 58 ALA H . . 4.100 3.921 3.655 4.119 0.019 29 0 "[ . 1 . 2 . 3 .]" 1 988 1 57 PHE HB3 1 71 TYR CG . . 8.000 7.911 7.547 8.397 0.397 2 0 "[ . 1 . 2 . 3 .]" 1 989 1 57 PHE HZ 1 59 VAL QG . . 6.300 4.278 3.407 5.578 . 0 0 "[ . 1 . 2 . 3 .]" 1 990 1 57 PHE HZ 1 75 LEU MD1 . . 7.000 4.784 3.438 5.788 . 0 0 "[ . 1 . 2 . 3 .]" 1 991 1 57 PHE HZ 1 75 LEU MD2 . . 7.000 4.087 3.170 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 992 1 57 PHE HZ 1 79 PHE CG . . 6.800 5.349 4.453 5.888 . 0 0 "[ . 1 . 2 . 3 .]" 1 993 1 57 PHE HZ 1 79 PHE CZ . . 8.000 4.573 3.385 6.046 . 0 0 "[ . 1 . 2 . 3 .]" 1 994 1 57 PHE HZ 1 85 ILE HB . . 6.000 6.045 6.002 6.102 0.102 15 0 "[ . 1 . 2 . 3 .]" 1 995 1 57 PHE HZ 1 85 ILE MD . . 6.700 2.778 2.444 3.159 . 0 0 "[ . 1 . 2 . 3 .]" 1 996 1 57 PHE HZ 1 85 ILE HG13 . . 6.000 5.205 3.913 5.802 . 0 0 "[ . 1 . 2 . 3 .]" 1 997 1 57 PHE HZ 1 102 VAL MG1 . . 7.000 2.378 2.043 3.744 . 0 0 "[ . 1 . 2 . 3 .]" 1 998 1 57 PHE HZ 1 102 VAL MG2 . . 7.000 4.402 3.817 5.577 . 0 0 "[ . 1 . 2 . 3 .]" 1 999 1 58 ALA H 1 58 ALA MB . . 3.500 2.391 2.242 2.559 . 0 0 "[ . 1 . 2 . 3 .]" 1 1000 1 58 ALA HA 1 59 VAL H . . 3.400 2.206 2.119 2.289 . 0 0 "[ . 1 . 2 . 3 .]" 1 1001 1 58 ALA HA 1 67 ILE MG . . 6.500 4.457 4.216 4.684 . 0 0 "[ . 1 . 2 . 3 .]" 1 1002 1 58 ALA HA 1 68 LEU HA . . 3.100 2.211 2.049 3.189 0.089 3 0 "[ . 1 . 2 . 3 .]" 1 1003 1 58 ALA HA 1 68 LEU MD1 . . 7.000 4.730 4.347 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1 1004 1 58 ALA HA 1 68 LEU MD2 . . 5.000 2.723 2.410 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1 1005 1 58 ALA HA 1 69 VAL H . . 3.200 3.136 2.959 3.249 0.049 35 0 "[ . 1 . 2 . 3 .]" 1 1006 1 58 ALA MB 1 59 VAL H . . 4.000 2.877 2.507 3.171 . 0 0 "[ . 1 . 2 . 3 .]" 1 1007 1 58 ALA MB 1 66 GLU QG . . 6.200 2.811 2.023 4.024 . 0 0 "[ . 1 . 2 . 3 .]" 1 1008 1 58 ALA MB 1 67 ILE H . . 7.000 3.998 3.518 4.454 . 0 0 "[ . 1 . 2 . 3 .]" 1 1009 1 58 ALA MB 1 68 LEU H . . 6.300 4.980 4.591 5.257 . 0 0 "[ . 1 . 2 . 3 .]" 1 1010 1 58 ALA MB 1 68 LEU HA . . 6.200 3.352 2.938 4.383 . 0 0 "[ . 1 . 2 . 3 .]" 1 1011 1 58 ALA MB 1 68 LEU MD1 . . 6.200 3.660 3.350 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1 1012 1 58 ALA MB 1 68 LEU MD2 . . 6.800 2.439 2.099 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1 1013 1 58 ALA MB 1 68 LEU HG . . 4.400 2.740 2.304 3.154 . 0 0 "[ . 1 . 2 . 3 .]" 1 1014 1 58 ALA MB 1 69 VAL H . . 6.200 4.505 4.198 4.680 . 0 0 "[ . 1 . 2 . 3 .]" 1 1015 1 59 VAL H 1 59 VAL HB . . 3.900 3.030 2.419 3.931 0.031 17 0 "[ . 1 . 2 . 3 .]" 1 1016 1 59 VAL H 1 60 HIS H . . 4.500 4.443 4.328 4.529 0.029 26 0 "[ . 1 . 2 . 3 .]" 1 1017 1 59 VAL H 1 60 HIS HD2 . . 6.000 5.525 4.672 6.099 0.099 28 0 "[ . 1 . 2 . 3 .]" 1 1018 1 59 VAL H 1 67 ILE H . . 3.200 2.913 2.693 3.209 0.009 3 0 "[ . 1 . 2 . 3 .]" 1 1019 1 59 VAL H 1 67 ILE MD . . 7.000 5.636 5.166 5.858 . 0 0 "[ . 1 . 2 . 3 .]" 1 1020 1 59 VAL H 1 67 ILE MG . . 6.000 3.331 2.894 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1 1021 1 59 VAL H 1 68 LEU HA . . 3.400 3.479 3.423 3.537 0.137 3 0 "[ . 1 . 2 . 3 .]" 1 1022 1 59 VAL H 1 68 LEU MD2 . . 5.700 4.597 4.338 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1 1023 1 59 VAL HA 1 60 HIS H . . 3.100 2.311 2.184 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1 1024 1 59 VAL HA 1 67 ILE MG . . 7.000 5.095 4.471 5.788 . 0 0 "[ . 1 . 2 . 3 .]" 1 1025 1 59 VAL HB 1 60 HIS H . . 5.200 3.953 2.460 4.411 . 0 0 "[ . 1 . 2 . 3 .]" 1 1026 1 59 VAL HB 1 67 ILE MG . . 6.000 3.674 2.281 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1 1027 1 59 VAL HB 1 69 VAL MG1 . . 7.000 5.332 3.744 5.860 . 0 0 "[ . 1 . 2 . 3 .]" 1 1028 1 59 VAL HB 1 69 VAL MG2 . . 7.000 3.524 2.723 5.862 . 0 0 "[ . 1 . 2 . 3 .]" 1 1029 1 59 VAL QG 1 60 HIS H . . 5.100 2.385 2.109 3.312 . 0 0 "[ . 1 . 2 . 3 .]" 1 1030 1 59 VAL QG 1 67 ILE H . . 7.000 3.727 2.773 4.515 . 0 0 "[ . 1 . 2 . 3 .]" 1 1031 1 59 VAL QG 1 67 ILE HB . . 7.000 4.438 2.602 5.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 1032 1 59 VAL QG 1 67 ILE QG . . 8.000 4.888 3.885 5.895 . 0 0 "[ . 1 . 2 . 3 .]" 1 1033 1 59 VAL QG 1 67 ILE MG . . 7.000 2.669 1.949 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1 1034 1 59 VAL QG 1 69 VAL HB . . 5.700 3.524 2.685 5.019 . 0 0 "[ . 1 . 2 . 3 .]" 1 1035 1 59 VAL QG 1 69 VAL MG1 . . 7.900 3.683 2.312 4.252 . 0 0 "[ . 1 . 2 . 3 .]" 1 1036 1 59 VAL QG 1 69 VAL MG2 . . 6.500 2.258 1.871 4.196 . 0 0 "[ . 1 . 2 . 3 .]" 1 1037 1 59 VAL QG 1 79 PHE CZ . . 9.000 4.433 3.192 6.119 . 0 0 "[ . 1 . 2 . 3 .]" 1 1038 1 59 VAL QG 1 84 GLY HA3 . . 7.000 5.631 4.808 6.805 . 0 0 "[ . 1 . 2 . 3 .]" 1 1039 1 60 HIS H 1 60 HIS HD2 . . 6.000 2.432 2.095 4.341 . 0 0 "[ . 1 . 2 . 3 .]" 1 1040 1 60 HIS H 1 61 ASP H . . 4.500 4.396 4.286 4.508 0.008 35 0 "[ . 1 . 2 . 3 .]" 1 1041 1 60 HIS HA 1 61 ASP H . . 3.400 2.599 2.395 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1 1042 1 60 HIS HA 1 66 GLU HA . . 3.100 2.512 2.066 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1 1043 1 60 HIS HA 1 66 GLU QB . . 7.000 4.112 2.588 5.038 . 0 0 "[ . 1 . 2 . 3 .]" 1 1044 1 60 HIS HA 1 66 GLU QG . . 6.000 4.024 3.236 5.299 . 0 0 "[ . 1 . 2 . 3 .]" 1 1045 1 60 HIS HA 1 67 ILE H . . 4.100 3.544 3.176 3.955 . 0 0 "[ . 1 . 2 . 3 .]" 1 1046 1 60 HIS HB2 1 60 HIS HD2 . . 4.100 3.869 3.493 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1 1047 1 60 HIS HB2 1 61 ASP H . . 4.000 2.280 2.057 2.838 . 0 0 "[ . 1 . 2 . 3 .]" 1 1048 1 60 HIS HB2 1 61 ASP HB2 . . 6.000 5.103 4.705 5.749 . 0 0 "[ . 1 . 2 . 3 .]" 1 1049 1 60 HIS HB2 1 66 GLU QB . . 7.000 3.487 2.480 4.845 . 0 0 "[ . 1 . 2 . 3 .]" 1 1050 1 60 HIS HB2 1 66 GLU QG . . 6.000 3.857 2.284 4.623 . 0 0 "[ . 1 . 2 . 3 .]" 1 1051 1 60 HIS HB3 1 60 HIS HE1 . . 5.500 5.122 4.765 5.361 . 0 0 "[ . 1 . 2 . 3 .]" 1 1052 1 60 HIS HB3 1 61 ASP H . . 4.700 3.738 3.462 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1 1053 1 60 HIS HB3 1 66 GLU HA . . 6.000 2.672 2.104 3.754 . 0 0 "[ . 1 . 2 . 3 .]" 1 1054 1 60 HIS HB3 1 66 GLU QB . . 7.000 3.030 2.025 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1 1055 1 60 HIS HB3 1 66 GLU QG . . 6.000 2.770 1.913 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1 1056 1 60 HIS HD2 1 61 ASP HA . . 6.000 5.545 3.738 6.103 0.103 6 0 "[ . 1 . 2 . 3 .]" 1 1057 1 60 HIS HD2 1 66 GLU HA . . 6.000 5.387 4.687 6.030 0.030 5 0 "[ . 1 . 2 . 3 .]" 1 1058 1 61 ASP H 1 61 ASP HB3 . . 4.100 2.930 2.551 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1 1059 1 61 ASP H 1 63 LEU H . . 4.700 3.928 2.757 4.824 0.124 19 0 "[ . 1 . 2 . 3 .]" 1 1060 1 61 ASP H 1 63 LEU HA . . 6.000 5.664 3.443 6.166 0.166 30 0 "[ . 1 . 2 . 3 .]" 1 1061 1 61 ASP H 1 65 GLY H . . 4.300 3.530 2.132 4.359 0.059 5 0 "[ . 1 . 2 . 3 .]" 1 1062 1 61 ASP H 1 66 GLU HA . . 4.600 4.391 3.933 4.682 0.082 30 0 "[ . 1 . 2 . 3 .]" 1 1063 1 61 ASP H 1 66 GLU QG . . 6.000 5.561 4.194 6.181 0.181 2 0 "[ . 1 . 2 . 3 .]" 1 1064 1 61 ASP HA 1 63 LEU H . . 6.000 4.426 4.023 5.542 . 0 0 "[ . 1 . 2 . 3 .]" 1 1065 1 61 ASP HB2 1 63 LEU H . . 6.000 4.550 3.761 6.181 0.181 26 0 "[ . 1 . 2 . 3 .]" 1 1066 1 61 ASP HB3 1 63 LEU H . . 6.000 3.208 2.046 6.016 0.016 26 0 "[ . 1 . 2 . 3 .]" 1 1067 1 63 LEU H 1 63 LEU HB2 . . 3.500 2.418 2.102 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1 1068 1 63 LEU H 1 63 LEU HB3 . . 4.100 3.604 3.411 3.971 . 0 0 "[ . 1 . 2 . 3 .]" 1 1069 1 63 LEU H 1 63 LEU HG . . 4.400 3.739 2.540 4.446 0.046 26 0 "[ . 1 . 2 . 3 .]" 1 1070 1 63 LEU H 1 64 GLY H . . 3.700 2.871 1.989 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1 1071 1 63 LEU H 1 64 GLY HA3 . . 6.000 5.238 4.217 5.914 . 0 0 "[ . 1 . 2 . 3 .]" 1 1072 1 63 LEU H 1 65 GLY H . . 5.400 4.070 3.127 5.425 0.025 6 0 "[ . 1 . 2 . 3 .]" 1 1073 1 63 LEU H 1 65 GLY QA . . 6.000 5.404 4.652 6.182 0.182 9 0 "[ . 1 . 2 . 3 .]" 1 1074 1 63 LEU HA 1 63 LEU QD . . 4.200 2.263 1.970 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1 1075 1 63 LEU HA 1 64 GLY H . . 3.600 3.214 2.716 3.606 0.006 34 0 "[ . 1 . 2 . 3 .]" 1 1076 1 63 LEU HB2 1 64 GLY H . . 5.100 3.525 1.980 4.454 . 0 0 "[ . 1 . 2 . 3 .]" 1 1077 1 63 LEU HB2 1 65 GLY H . . 5.400 4.597 3.745 5.451 0.051 24 0 "[ . 1 . 2 . 3 .]" 1 1078 1 63 LEU HB3 1 64 GLY H . . 4.800 3.787 2.241 4.545 . 0 0 "[ . 1 . 2 . 3 .]" 1 1079 1 63 LEU HB3 1 65 GLY H . . 5.300 4.745 3.497 5.421 0.121 7 0 "[ . 1 . 2 . 3 .]" 1 1080 1 63 LEU HG 1 64 GLY H . . 6.000 5.169 4.344 6.047 0.047 33 0 "[ . 1 . 2 . 3 .]" 1 1081 1 64 GLY H 1 65 GLY H . . 3.500 2.723 2.055 3.506 0.006 22 0 "[ . 1 . 2 . 3 .]" 1 1082 1 64 GLY H 1 65 GLY QA . . 6.000 4.375 3.541 4.979 . 0 0 "[ . 1 . 2 . 3 .]" 1 1083 1 64 GLY HA2 1 65 GLY H . . 6.000 2.998 2.427 3.644 . 0 0 "[ . 1 . 2 . 3 .]" 1 1084 1 64 GLY HA3 1 65 GLY H . . 5.200 3.400 2.294 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1 1085 1 65 GLY H 1 66 GLU H . . 5.000 4.027 2.759 4.673 . 0 0 "[ . 1 . 2 . 3 .]" 1 1086 1 65 GLY QA 1 66 GLU H . . 3.400 2.320 2.104 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1 1087 1 66 GLU H 1 67 ILE H . . 6.000 4.269 3.272 4.641 . 0 0 "[ . 1 . 2 . 3 .]" 1 1088 1 66 GLU HA 1 66 GLU QG . . 3.900 2.483 2.154 3.396 . 0 0 "[ . 1 . 2 . 3 .]" 1 1089 1 66 GLU HA 1 67 ILE H . . 3.200 2.270 2.139 2.520 . 0 0 "[ . 1 . 2 . 3 .]" 1 1090 1 66 GLU HA 1 67 ILE MG . . 7.000 4.478 3.742 5.377 . 0 0 "[ . 1 . 2 . 3 .]" 1 1091 1 66 GLU QB 1 67 ILE H . . 6.100 3.609 2.327 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1 1092 1 66 GLU QG 1 67 ILE H . . 5.500 3.073 2.128 4.432 . 0 0 "[ . 1 . 2 . 3 .]" 1 1093 1 67 ILE H 1 67 ILE MD . . 5.600 4.425 4.261 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1 1094 1 67 ILE HA 1 67 ILE MD . . 4.100 2.180 2.056 2.625 . 0 0 "[ . 1 . 2 . 3 .]" 1 1095 1 67 ILE HA 1 68 LEU H . . 3.300 2.349 2.183 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1 1096 1 67 ILE HB 1 68 LEU H . . 4.400 4.166 3.960 4.406 0.006 1 0 "[ . 1 . 2 . 3 .]" 1 1097 1 67 ILE MD 1 68 LEU H . . 5.700 2.131 1.825 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1 1098 1 67 ILE MD 1 96 LYS HD2 . . 5.400 4.381 3.435 5.086 . 0 0 "[ . 1 . 2 . 3 .]" 1 1099 1 67 ILE MD 1 97 LEU H . . 5.900 4.277 3.120 4.917 . 0 0 "[ . 1 . 2 . 3 .]" 1 1100 1 67 ILE MD 1 97 LEU HB2 . . 6.400 4.819 2.878 5.874 . 0 0 "[ . 1 . 2 . 3 .]" 1 1101 1 67 ILE MD 1 97 LEU QD . . 5.800 2.431 1.998 3.393 . 0 0 "[ . 1 . 2 . 3 .]" 1 1102 1 67 ILE QG 1 68 LEU H . . 7.000 3.186 2.063 3.995 . 0 0 "[ . 1 . 2 . 3 .]" 1 1103 1 67 ILE QG 1 96 LYS HD2 . . 7.000 6.169 4.569 7.082 0.082 33 0 "[ . 1 . 2 . 3 .]" 1 1104 1 67 ILE QG 1 97 LEU QD . . 8.000 2.622 1.832 3.667 . 0 0 "[ . 1 . 2 . 3 .]" 1 1105 1 67 ILE MG 1 68 LEU H . . 7.000 3.003 2.284 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1 1106 1 67 ILE MG 1 69 VAL MG1 . . 6.800 4.412 2.870 4.917 . 0 0 "[ . 1 . 2 . 3 .]" 1 1107 1 67 ILE MG 1 97 LEU QD . . 5.200 2.558 1.825 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1 1108 1 68 LEU H 1 68 LEU HB2 . . 3.500 2.314 2.073 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1 1109 1 68 LEU H 1 68 LEU HB3 . . 4.100 3.488 3.259 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1 1110 1 68 LEU H 1 68 LEU MD1 . . 5.400 3.907 3.200 4.287 . 0 0 "[ . 1 . 2 . 3 .]" 1 1111 1 68 LEU H 1 68 LEU MD2 . . 5.700 4.359 4.164 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1 1112 1 68 LEU H 1 68 LEU HG . . 4.800 3.576 3.131 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1 1113 1 68 LEU H 1 69 VAL H . . 5.500 4.409 4.230 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1 1114 1 68 LEU H 1 96 LYS HD2 . . 5.200 4.309 3.520 5.619 0.419 18 0 "[ . 1 . 2 . 3 .]" 1 1115 1 68 LEU H 1 96 LYS QG . . 7.000 4.055 2.773 5.191 . 0 0 "[ . 1 . 2 . 3 .]" 1 1116 1 68 LEU H 1 97 LEU H . . 5.700 4.806 4.266 5.543 . 0 0 "[ . 1 . 2 . 3 .]" 1 1117 1 68 LEU H 1 97 LEU HG . . 6.000 5.839 4.790 6.091 0.091 29 0 "[ . 1 . 2 . 3 .]" 1 1118 1 68 LEU HA 1 68 LEU MD1 . . 4.800 3.811 3.739 4.135 . 0 0 "[ . 1 . 2 . 3 .]" 1 1119 1 68 LEU HA 1 69 VAL H . . 3.400 2.156 2.089 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1 1120 1 68 LEU HB2 1 69 VAL H . . 4.700 4.442 4.279 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1 1121 1 68 LEU HB2 1 70 THR MG . . 7.000 4.875 4.267 5.679 . 0 0 "[ . 1 . 2 . 3 .]" 1 1122 1 68 LEU HB2 1 96 LYS HB3 . . 5.300 5.336 4.426 6.085 0.785 2 9 "[ +* . * 1- * . **2** . 3 .]" 1 1123 1 68 LEU HB2 1 96 LYS HD3 . . 5.500 4.000 2.709 5.609 0.109 24 0 "[ . 1 . 2 . 3 .]" 1 1124 1 68 LEU HB2 1 96 LYS HE2 . . 6.000 4.573 2.328 5.302 . 0 0 "[ . 1 . 2 . 3 .]" 1 1125 1 68 LEU HB3 1 68 LEU HG . . 3.100 3.029 2.988 3.053 . 0 0 "[ . 1 . 2 . 3 .]" 1 1126 1 68 LEU HB3 1 69 VAL H . . 4.200 3.473 3.164 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1 1127 1 68 LEU HB3 1 96 LYS HB3 . . 5.400 4.860 3.778 5.795 0.395 7 0 "[ . 1 . 2 . 3 .]" 1 1128 1 68 LEU HB3 1 96 LYS QG . . 7.000 2.656 2.067 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1 1129 1 68 LEU MD1 1 69 VAL H . . 6.400 5.050 4.845 5.300 . 0 0 "[ . 1 . 2 . 3 .]" 1 1130 1 68 LEU MD1 1 96 LYS HE2 . . 7.000 3.873 2.469 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1 1131 1 68 LEU MD1 1 96 LYS HE3 . . 7.000 4.015 2.739 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1 1132 1 68 LEU MD1 1 96 LYS QG . . 8.000 3.651 3.120 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1 1133 1 68 LEU MD2 1 69 VAL H . . 4.400 2.934 2.439 3.495 . 0 0 "[ . 1 . 2 . 3 .]" 1 1134 1 68 LEU MD2 1 96 LYS HE2 . . 7.000 5.502 4.356 5.872 . 0 0 "[ . 1 . 2 . 3 .]" 1 1135 1 68 LEU MD2 1 96 LYS HE3 . . 7.000 5.605 4.331 5.886 . 0 0 "[ . 1 . 2 . 3 .]" 1 1136 1 68 LEU MD2 1 96 LYS QG . . 7.600 4.064 3.445 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1 1137 1 68 LEU HG 1 69 VAL H . . 5.300 4.444 4.143 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1 1138 1 69 VAL H 1 69 VAL HB . . 4.000 2.606 2.414 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1 1139 1 69 VAL H 1 69 VAL MG2 . . 4.200 2.609 2.314 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1 1140 1 69 VAL H 1 70 THR H . . 5.100 4.418 4.319 4.558 . 0 0 "[ . 1 . 2 . 3 .]" 1 1141 1 69 VAL HA 1 70 THR H . . 3.300 2.231 2.174 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1 1142 1 69 VAL HA 1 70 THR MG . . 4.700 3.754 3.372 3.932 . 0 0 "[ . 1 . 2 . 3 .]" 1 1143 1 69 VAL HA 1 97 LEU H . . 3.800 2.772 2.282 3.229 . 0 0 "[ . 1 . 2 . 3 .]" 1 1144 1 69 VAL HA 1 97 LEU HB2 . . 6.000 2.690 2.203 3.426 . 0 0 "[ . 1 . 2 . 3 .]" 1 1145 1 69 VAL HA 1 97 LEU HB3 . . 6.000 4.150 3.360 5.084 . 0 0 "[ . 1 . 2 . 3 .]" 1 1146 1 69 VAL HB 1 70 THR H . . 5.300 4.115 2.803 4.404 . 0 0 "[ . 1 . 2 . 3 .]" 1 1147 1 69 VAL HB 1 99 ALA MB . . 6.900 4.281 2.203 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1 1148 1 69 VAL MG1 1 70 THR H . . 4.900 2.835 2.395 4.021 . 0 0 "[ . 1 . 2 . 3 .]" 1 1149 1 69 VAL MG1 1 70 THR HA . . 7.000 4.080 3.745 5.711 . 0 0 "[ . 1 . 2 . 3 .]" 1 1150 1 69 VAL MG1 1 79 PHE CG . . 9.000 7.112 6.465 7.793 . 0 0 "[ . 1 . 2 . 3 .]" 1 1151 1 69 VAL MG1 1 87 ALA MB . . 5.900 2.612 2.272 3.189 . 0 0 "[ . 1 . 2 . 3 .]" 1 1152 1 69 VAL MG1 1 96 LYS QG . . 8.000 5.679 4.747 5.978 . 0 0 "[ . 1 . 2 . 3 .]" 1 1153 1 69 VAL MG1 1 97 LEU H . . 6.400 4.253 3.075 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1 1154 1 69 VAL MG1 1 97 LEU HB2 . . 5.500 2.893 2.090 3.984 . 0 0 "[ . 1 . 2 . 3 .]" 1 1155 1 69 VAL MG1 1 97 LEU HB3 . . 4.400 3.578 2.594 5.148 0.748 19 1 "[ . 1 . +2 . 3 .]" 1 1156 1 69 VAL MG1 1 97 LEU QD . . 6.600 3.662 2.013 4.323 . 0 0 "[ . 1 . 2 . 3 .]" 1 1157 1 69 VAL MG1 1 99 ALA H . . 5.100 3.032 2.488 5.023 . 0 0 "[ . 1 . 2 . 3 .]" 1 1158 1 69 VAL MG1 1 99 ALA MB . . 7.400 2.113 1.883 3.629 . 0 0 "[ . 1 . 2 . 3 .]" 1 1159 1 69 VAL MG2 1 70 THR H . . 5.400 4.073 2.391 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1 1160 1 69 VAL MG2 1 87 ALA MB . . 6.100 3.204 2.859 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1 1161 1 69 VAL MG2 1 96 LYS QG . . 8.000 5.376 4.801 5.960 . 0 0 "[ . 1 . 2 . 3 .]" 1 1162 1 69 VAL MG2 1 97 LEU H . . 6.600 4.107 3.723 5.142 . 0 0 "[ . 1 . 2 . 3 .]" 1 1163 1 69 VAL MG2 1 97 LEU HB2 . . 5.500 2.735 2.222 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1 1164 1 69 VAL MG2 1 99 ALA H . . 7.000 5.029 2.703 5.762 . 0 0 "[ . 1 . 2 . 3 .]" 1 1165 1 69 VAL MG2 1 99 ALA MB . . 8.000 3.519 2.009 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1 1166 1 70 THR H 1 70 THR MG . . 4.300 2.796 2.506 3.103 . 0 0 "[ . 1 . 2 . 3 .]" 1 1167 1 70 THR H 1 71 TYR H . . 5.000 4.506 4.429 4.580 . 0 0 "[ . 1 . 2 . 3 .]" 1 1168 1 70 THR H 1 96 LYS QG . . 7.000 4.530 3.777 5.325 . 0 0 "[ . 1 . 2 . 3 .]" 1 1169 1 70 THR H 1 97 LEU H . . 3.500 3.503 3.230 3.568 0.068 16 0 "[ . 1 . 2 . 3 .]" 1 1170 1 70 THR H 1 98 ALA HA . . 3.100 3.100 2.816 3.197 0.097 3 0 "[ . 1 . 2 . 3 .]" 1 1171 1 70 THR H 1 99 ALA H . . 3.400 3.347 3.075 3.448 0.048 19 0 "[ . 1 . 2 . 3 .]" 1 1172 1 70 THR HA 1 70 THR MG . . 3.500 2.357 2.300 2.475 . 0 0 "[ . 1 . 2 . 3 .]" 1 1173 1 70 THR HA 1 71 TYR H . . 3.300 2.269 2.190 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1 1174 1 70 THR HB 1 71 TYR H . . 4.300 2.996 2.739 3.362 . 0 0 "[ . 1 . 2 . 3 .]" 1 1175 1 70 THR HB 1 98 ALA HA . . 6.000 4.206 3.865 4.468 . 0 0 "[ . 1 . 2 . 3 .]" 1 1176 1 70 THR HB 1 98 ALA MB . . 7.000 4.618 4.277 4.913 . 0 0 "[ . 1 . 2 . 3 .]" 1 1177 1 70 THR MG 1 71 TYR H . . 5.500 3.862 3.624 4.028 . 0 0 "[ . 1 . 2 . 3 .]" 1 1178 1 70 THR MG 1 96 LYS HB2 . . 7.000 4.053 3.239 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1 1179 1 70 THR MG 1 98 ALA HA . . 7.000 4.450 4.027 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1 1180 1 71 TYR CG 1 72 ASP H . . 8.000 3.749 2.838 4.353 . 0 0 "[ . 1 . 2 . 3 .]" 1 1181 1 71 TYR CG 1 73 ASP H . . 8.000 4.411 3.199 6.566 . 0 0 "[ . 1 . 2 . 3 .]" 1 1182 1 71 TYR CG 1 75 LEU MD2 . . 8.500 3.031 2.512 4.046 . 0 0 "[ . 1 . 2 . 3 .]" 1 1183 1 71 TYR CG 1 99 ALA MB . . 8.400 4.921 3.844 5.651 . 0 0 "[ . 1 . 2 . 3 .]" 1 1184 1 71 TYR CG 1 100 THR HG1 . . 8.000 4.287 3.539 5.544 . 0 0 "[ . 1 . 2 . 3 .]" 1 1185 1 71 TYR CG 1 102 VAL MG2 . . 9.000 4.677 4.171 5.420 . 0 0 "[ . 1 . 2 . 3 .]" 1 1186 1 71 TYR CZ 1 73 ASP H . . 8.000 5.449 4.096 7.677 . 0 0 "[ . 1 . 2 . 3 .]" 1 1187 1 71 TYR CZ 1 73 ASP HB2 . . 8.000 5.522 3.585 6.553 . 0 0 "[ . 1 . 2 . 3 .]" 1 1188 1 71 TYR CZ 1 73 ASP HB3 . . 8.000 4.988 3.172 7.759 . 0 0 "[ . 1 . 2 . 3 .]" 1 1189 1 71 TYR CZ 1 75 LEU HA . . 8.000 3.536 2.912 4.651 . 0 0 "[ . 1 . 2 . 3 .]" 1 1190 1 71 TYR CZ 1 75 LEU MD1 . . 9.000 4.909 2.898 6.025 . 0 0 "[ . 1 . 2 . 3 .]" 1 1191 1 71 TYR CZ 1 75 LEU MD2 . . 9.000 2.912 2.374 4.209 . 0 0 "[ . 1 . 2 . 3 .]" 1 1192 1 71 TYR CZ 1 100 THR HA . . 8.000 2.899 2.634 3.114 . 0 0 "[ . 1 . 2 . 3 .]" 1 1193 1 71 TYR CZ 1 100 THR HG1 . . 6.800 3.312 2.460 5.193 . 0 0 "[ . 1 . 2 . 3 .]" 1 1194 1 71 TYR CZ 1 101 GLU H . . 8.000 5.335 4.144 5.957 . 0 0 "[ . 1 . 2 . 3 .]" 1 1195 1 71 TYR CZ 1 102 VAL H . . 8.000 4.193 3.024 5.263 . 0 0 "[ . 1 . 2 . 3 .]" 1 1196 1 71 TYR CZ 1 102 VAL MG2 . . 8.600 3.245 2.658 3.836 . 0 0 "[ . 1 . 2 . 3 .]" 1 1197 1 71 TYR H 1 71 TYR HB2 . . 3.800 2.894 2.475 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1 1198 1 71 TYR H 1 72 ASP H . . 5.500 4.236 3.922 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1 1199 1 71 TYR HA 1 72 ASP H . . 3.100 2.303 2.211 2.557 . 0 0 "[ . 1 . 2 . 3 .]" 1 1200 1 71 TYR HA 1 99 ALA H . . 4.300 3.645 3.306 4.304 0.004 32 0 "[ . 1 . 2 . 3 .]" 1 1201 1 71 TYR HB2 1 72 ASP H . . 5.700 4.456 4.112 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1 1202 1 71 TYR HB3 1 72 ASP H . . 4.900 4.013 3.255 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1 1203 1 71 TYR HB3 1 75 LEU MD1 . . 7.000 3.615 2.597 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1 1204 1 71 TYR HB3 1 75 LEU MD2 . . 7.000 3.367 2.191 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1 1205 1 71 TYR HB3 1 102 VAL MG2 . . 7.000 5.815 5.468 6.649 . 0 0 "[ . 1 . 2 . 3 .]" 1 1206 1 71 TYR HH 1 73 ASP HB2 . . 6.000 6.090 5.037 6.790 0.790 29 6 "[ . * 1 -.* 2 . *+3 * .]" 1 1207 1 71 TYR HH 1 75 LEU HA . . 6.000 4.175 3.602 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1 1208 1 71 TYR HH 1 75 LEU MD2 . . 7.000 3.913 2.815 5.058 . 0 0 "[ . 1 . 2 . 3 .]" 1 1209 1 71 TYR HH 1 100 THR HA . . 6.000 3.356 2.745 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1 1210 1 71 TYR HH 1 100 THR HG1 . . 5.700 3.372 2.232 4.909 . 0 0 "[ . 1 . 2 . 3 .]" 1 1211 1 71 TYR HH 1 101 GLU HA . . 6.000 3.474 2.284 5.317 . 0 0 "[ . 1 . 2 . 3 .]" 1 1212 1 71 TYR HH 1 102 VAL H . . 6.000 3.046 2.502 4.133 . 0 0 "[ . 1 . 2 . 3 .]" 1 1213 1 71 TYR HH 1 102 VAL HB . . 6.000 5.809 4.445 6.078 0.078 22 0 "[ . 1 . 2 . 3 .]" 1 1214 1 71 TYR HH 1 102 VAL MG2 . . 7.000 2.947 2.093 3.428 . 0 0 "[ . 1 . 2 . 3 .]" 1 1215 1 72 ASP H 1 72 ASP QB . . 3.600 2.833 2.649 3.248 . 0 0 "[ . 1 . 2 . 3 .]" 1 1216 1 72 ASP H 1 73 ASP H . . 3.800 3.209 2.278 4.046 0.246 27 0 "[ . 1 . 2 . 3 .]" 1 1217 1 72 ASP H 1 73 ASP HB3 . . 6.000 5.350 4.484 6.217 0.217 10 0 "[ . 1 . 2 . 3 .]" 1 1218 1 72 ASP HA 1 73 ASP H . . 3.800 2.784 2.046 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1 1219 1 72 ASP QB 1 73 ASP H . . 5.000 3.694 2.393 4.125 . 0 0 "[ . 1 . 2 . 3 .]" 1 1220 1 73 ASP H 1 73 ASP HB2 . . 4.000 3.194 2.147 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1 1221 1 73 ASP H 1 73 ASP HB3 . . 4.000 3.536 2.863 4.106 0.106 27 0 "[ . 1 . 2 . 3 .]" 1 1222 1 73 ASP H 1 74 LEU H . . 5.900 3.712 2.370 4.719 . 0 0 "[ . 1 . 2 . 3 .]" 1 1223 1 73 ASP HA 1 74 LEU H . . 3.300 2.549 2.298 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1 1224 1 73 ASP HA 1 74 LEU HB2 . . 6.000 4.699 4.019 5.128 . 0 0 "[ . 1 . 2 . 3 .]" 1 1225 1 73 ASP HA 1 74 LEU HB3 . . 6.000 5.826 5.467 6.046 0.046 5 0 "[ . 1 . 2 . 3 .]" 1 1226 1 73 ASP HA 1 74 LEU MD2 . . 7.000 5.695 5.217 5.963 . 0 0 "[ . 1 . 2 . 3 .]" 1 1227 1 73 ASP HB2 1 74 LEU H . . 4.500 4.132 3.404 4.749 0.249 25 0 "[ . 1 . 2 . 3 .]" 1 1228 1 73 ASP HB2 1 74 LEU MD1 . . 7.000 5.224 4.774 5.873 . 0 0 "[ . 1 . 2 . 3 .]" 1 1229 1 73 ASP HB2 1 100 THR HG1 . . 6.000 3.973 2.490 5.195 . 0 0 "[ . 1 . 2 . 3 .]" 1 1230 1 73 ASP HB3 1 74 LEU H . . 4.800 3.479 2.331 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1 1231 1 74 LEU H 1 74 LEU HB2 . . 3.400 2.832 2.156 3.553 0.153 33 0 "[ . 1 . 2 . 3 .]" 1 1232 1 74 LEU H 1 74 LEU HB3 . . 4.000 3.778 3.413 4.074 0.074 32 0 "[ . 1 . 2 . 3 .]" 1 1233 1 74 LEU H 1 74 LEU MD1 . . 5.700 2.489 1.982 3.704 . 0 0 "[ . 1 . 2 . 3 .]" 1 1234 1 74 LEU H 1 74 LEU MD2 . . 5.400 4.235 3.830 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1 1235 1 74 LEU H 1 74 LEU HG . . 4.300 3.167 2.513 4.397 0.097 4 0 "[ . 1 . 2 . 3 .]" 1 1236 1 74 LEU H 1 75 LEU H . . 4.700 4.644 4.340 4.749 0.049 10 0 "[ . 1 . 2 . 3 .]" 1 1237 1 74 LEU HA 1 74 LEU MD1 . . 4.400 3.385 2.048 3.759 . 0 0 "[ . 1 . 2 . 3 .]" 1 1238 1 74 LEU HA 1 74 LEU MD2 . . 4.500 3.304 2.412 3.710 . 0 0 "[ . 1 . 2 . 3 .]" 1 1239 1 74 LEU HA 1 74 LEU HG . . 4.200 2.291 2.143 2.475 . 0 0 "[ . 1 . 2 . 3 .]" 1 1240 1 74 LEU HA 1 75 LEU H . . 3.300 2.513 2.034 3.174 . 0 0 "[ . 1 . 2 . 3 .]" 1 1241 1 74 LEU HA 1 75 LEU HB2 . . 4.600 4.299 3.957 4.633 0.033 17 0 "[ . 1 . 2 . 3 .]" 1 1242 1 74 LEU HA 1 75 LEU MD1 . . 7.000 4.713 4.198 5.432 . 0 0 "[ . 1 . 2 . 3 .]" 1 1243 1 74 LEU HA 1 75 LEU HG . . 6.000 4.214 3.533 5.687 . 0 0 "[ . 1 . 2 . 3 .]" 1 1244 1 74 LEU HB2 1 75 LEU H . . 4.100 3.644 2.512 4.353 0.253 3 0 "[ . 1 . 2 . 3 .]" 1 1245 1 74 LEU HB3 1 75 LEU H . . 4.300 2.548 1.926 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1 1246 1 74 LEU MD1 1 75 LEU H . . 6.700 4.703 3.456 5.295 . 0 0 "[ . 1 . 2 . 3 .]" 1 1247 1 74 LEU MD2 1 75 LEU H . . 7.000 3.812 3.037 4.864 . 0 0 "[ . 1 . 2 . 3 .]" 1 1248 1 74 LEU HG 1 75 LEU H . . 6.000 4.123 3.116 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1 1249 1 75 LEU H 1 75 LEU HB2 . . 3.600 2.428 2.146 2.813 . 0 0 "[ . 1 . 2 . 3 .]" 1 1250 1 75 LEU H 1 75 LEU MD1 . . 5.700 3.850 3.050 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1 1251 1 75 LEU H 1 75 LEU MD2 . . 5.200 3.899 2.181 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1 1252 1 75 LEU H 1 75 LEU HG . . 4.500 3.268 2.182 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1 1253 1 75 LEU H 1 76 PRO HD2 . . 6.000 4.795 4.692 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1 1254 1 75 LEU H 1 76 PRO HD3 . . 6.000 5.034 4.676 5.319 . 0 0 "[ . 1 . 2 . 3 .]" 1 1255 1 75 LEU H 1 78 LEU H . . 6.000 4.892 3.873 5.734 . 0 0 "[ . 1 . 2 . 3 .]" 1 1256 1 75 LEU H 1 78 LEU HA . . 5.800 4.227 3.539 5.744 . 0 0 "[ . 1 . 2 . 3 .]" 1 1257 1 75 LEU HA 1 75 LEU MD2 . . 4.300 2.250 2.100 2.558 . 0 0 "[ . 1 . 2 . 3 .]" 1 1258 1 75 LEU HA 1 75 LEU HG . . 4.500 2.850 2.454 3.799 . 0 0 "[ . 1 . 2 . 3 .]" 1 1259 1 75 LEU HA 1 76 PRO HD2 . . 4.900 2.459 2.298 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1 1260 1 75 LEU HA 1 76 PRO HD3 . . 4.500 2.498 2.285 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1 1261 1 75 LEU HA 1 100 THR HG1 . . 6.000 6.064 5.940 6.166 0.166 3 0 "[ . 1 . 2 . 3 .]" 1 1262 1 75 LEU HA 1 102 VAL MG1 . . 7.000 5.019 4.566 5.390 . 0 0 "[ . 1 . 2 . 3 .]" 1 1263 1 75 LEU HA 1 102 VAL MG2 . . 6.900 3.452 3.012 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1 1264 1 75 LEU HB2 1 76 PRO HD2 . . 5.900 3.848 3.617 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1 1265 1 75 LEU HB2 1 78 LEU HA . . 4.100 2.753 2.172 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1 1266 1 75 LEU HB3 1 76 PRO HD2 . . 4.700 2.328 2.179 2.663 . 0 0 "[ . 1 . 2 . 3 .]" 1 1267 1 75 LEU HB3 1 76 PRO HD3 . . 6.000 3.768 3.631 4.059 . 0 0 "[ . 1 . 2 . 3 .]" 1 1268 1 75 LEU HB3 1 76 PRO HG3 . . 5.200 4.891 4.686 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1 1269 1 75 LEU HB3 1 79 PHE H . . 6.000 3.204 2.622 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1 1270 1 75 LEU HB3 1 79 PHE HB2 . . 6.000 3.364 2.115 6.382 0.382 4 0 "[ . 1 . 2 . 3 .]" 1 1271 1 75 LEU HB3 1 102 VAL HB . . 6.000 6.037 5.515 6.404 0.404 22 0 "[ . 1 . 2 . 3 .]" 1 1272 1 75 LEU HB3 1 102 VAL MG1 . . 7.000 5.090 4.664 5.582 . 0 0 "[ . 1 . 2 . 3 .]" 1 1273 1 75 LEU MD1 1 76 PRO HD2 . . 6.600 3.909 2.162 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1 1274 1 75 LEU MD1 1 76 PRO HD3 . . 7.000 5.086 3.201 5.562 . 0 0 "[ . 1 . 2 . 3 .]" 1 1275 1 75 LEU MD1 1 76 PRO HG3 . . 7.000 6.064 4.123 6.578 . 0 0 "[ . 1 . 2 . 3 .]" 1 1276 1 75 LEU MD1 1 79 PHE CG . . 9.000 3.403 2.754 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1 1277 1 75 LEU MD1 1 79 PHE CZ . . 9.000 4.764 3.664 6.088 . 0 0 "[ . 1 . 2 . 3 .]" 1 1278 1 75 LEU MD1 1 79 PHE HB2 . . 7.000 2.650 1.929 5.595 . 0 0 "[ . 1 . 2 . 3 .]" 1 1279 1 75 LEU MD1 1 79 PHE HB3 . . 7.000 2.978 2.016 5.533 . 0 0 "[ . 1 . 2 . 3 .]" 1 1280 1 75 LEU MD1 1 102 VAL HB . . 6.300 5.623 3.600 6.182 . 0 0 "[ . 1 . 2 . 3 .]" 1 1281 1 75 LEU MD1 1 102 VAL MG1 . . 7.500 4.082 2.420 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1 1282 1 75 LEU MD2 1 76 PRO HD2 . . 5.200 2.496 2.030 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1 1283 1 75 LEU MD2 1 76 PRO HD3 . . 5.500 3.318 2.855 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1 1284 1 75 LEU MD2 1 76 PRO HG2 . . 7.000 4.240 3.661 5.878 . 0 0 "[ . 1 . 2 . 3 .]" 1 1285 1 75 LEU MD2 1 79 PHE CG . . 9.000 3.931 3.172 5.540 . 0 0 "[ . 1 . 2 . 3 .]" 1 1286 1 75 LEU MD2 1 79 PHE CZ . . 9.000 5.038 2.440 6.734 . 0 0 "[ . 1 . 2 . 3 .]" 1 1287 1 75 LEU MD2 1 79 PHE HB2 . . 7.000 3.110 2.020 5.175 . 0 0 "[ . 1 . 2 . 3 .]" 1 1288 1 75 LEU MD2 1 79 PHE HB3 . . 7.000 3.979 2.312 5.650 . 0 0 "[ . 1 . 2 . 3 .]" 1 1289 1 75 LEU MD2 1 100 THR HG1 . . 7.000 5.445 4.710 6.167 . 0 0 "[ . 1 . 2 . 3 .]" 1 1290 1 75 LEU MD2 1 102 VAL MG1 . . 8.000 2.791 2.120 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1 1291 1 75 LEU MD2 1 102 VAL MG2 . . 7.300 2.260 1.908 4.088 . 0 0 "[ . 1 . 2 . 3 .]" 1 1292 1 76 PRO HA 1 76 PRO HG2 . . 4.300 3.857 3.776 3.942 . 0 0 "[ . 1 . 2 . 3 .]" 1 1293 1 76 PRO HA 1 77 ASP H . . 3.800 2.994 2.169 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1 1294 1 76 PRO HA 1 78 LEU H . . 5.900 4.011 3.407 4.858 . 0 0 "[ . 1 . 2 . 3 .]" 1 1295 1 76 PRO HB2 1 77 ASP H . . 4.800 2.687 1.989 3.984 . 0 0 "[ . 1 . 2 . 3 .]" 1 1296 1 76 PRO HB2 1 78 LEU H . . 6.000 5.117 4.752 5.503 . 0 0 "[ . 1 . 2 . 3 .]" 1 1297 1 76 PRO HB2 1 79 PHE H . . 5.700 5.268 4.497 5.980 0.280 18 0 "[ . 1 . 2 . 3 .]" 1 1298 1 76 PRO HB3 1 77 ASP H . . 6.000 3.750 3.457 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1 1299 1 76 PRO HB3 1 78 LEU H . . 6.000 5.745 5.398 6.030 0.030 10 0 "[ . 1 . 2 . 3 .]" 1 1300 1 76 PRO HD2 1 79 PHE CG . . 8.000 5.710 4.463 7.065 . 0 0 "[ . 1 . 2 . 3 .]" 1 1301 1 76 PRO HD2 1 79 PHE HB3 . . 6.000 5.659 3.666 6.871 0.871 11 5 "[ - *1+ . * *. 3 .]" 1 1302 1 76 PRO HD2 1 102 VAL MG1 . . 6.500 4.238 3.989 4.563 . 0 0 "[ . 1 . 2 . 3 .]" 1 1303 1 76 PRO HD2 1 102 VAL MG2 . . 6.300 2.173 2.042 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1 1304 1 76 PRO HD3 1 77 ASP H . . 6.000 4.897 4.132 5.628 . 0 0 "[ . 1 . 2 . 3 .]" 1 1305 1 76 PRO HD3 1 79 PHE H . . 6.000 5.672 5.138 6.181 0.181 20 0 "[ . 1 . 2 . 3 .]" 1 1306 1 76 PRO HD3 1 102 VAL HB . . 6.000 5.251 4.576 5.807 . 0 0 "[ . 1 . 2 . 3 .]" 1 1307 1 76 PRO HD3 1 102 VAL MG1 . . 7.000 4.780 4.234 5.203 . 0 0 "[ . 1 . 2 . 3 .]" 1 1308 1 76 PRO HD3 1 102 VAL MG2 . . 7.000 2.512 2.093 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1 1309 1 76 PRO HG2 1 77 ASP H . . 6.000 3.173 1.820 5.017 . 0 0 "[ . 1 . 2 . 3 .]" 1 1310 1 76 PRO HG2 1 79 PHE H . . 6.000 3.920 3.142 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1 1311 1 76 PRO HG2 1 85 ILE MD . . 7.000 5.670 4.869 5.900 . 0 0 "[ . 1 . 2 . 3 .]" 1 1312 1 76 PRO HG2 1 102 VAL MG1 . . 7.000 5.182 4.829 5.631 . 0 0 "[ . 1 . 2 . 3 .]" 1 1313 1 76 PRO HG2 1 102 VAL MG2 . . 7.000 2.701 2.146 3.404 . 0 0 "[ . 1 . 2 . 3 .]" 1 1314 1 76 PRO HG2 1 104 ALA MB . . 6.800 4.014 2.521 5.030 . 0 0 "[ . 1 . 2 . 3 .]" 1 1315 1 76 PRO HG3 1 77 ASP H . . 6.000 4.392 3.382 5.881 . 0 0 "[ . 1 . 2 . 3 .]" 1 1316 1 76 PRO HG3 1 79 PHE H . . 6.000 5.599 4.789 6.050 0.050 18 0 "[ . 1 . 2 . 3 .]" 1 1317 1 76 PRO HG3 1 85 ILE MD . . 7.000 5.861 5.375 5.919 . 0 0 "[ . 1 . 2 . 3 .]" 1 1318 1 76 PRO HG3 1 102 VAL HB . . 6.000 4.348 3.329 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1 1319 1 76 PRO HG3 1 102 VAL MG1 . . 7.000 4.879 4.380 5.244 . 0 0 "[ . 1 . 2 . 3 .]" 1 1320 1 76 PRO HG3 1 104 ALA MB . . 7.000 4.571 3.004 5.636 . 0 0 "[ . 1 . 2 . 3 .]" 1 1321 1 77 ASP H 1 77 ASP HB3 . . 4.100 3.692 3.375 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1 1322 1 77 ASP H 1 78 LEU H . . 4.100 3.265 2.912 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1 1323 1 77 ASP H 1 78 LEU HB3 . . 6.000 5.956 5.588 6.342 0.342 12 0 "[ . 1 . 2 . 3 .]" 1 1324 1 77 ASP H 1 79 PHE H . . 6.000 3.915 2.985 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1 1325 1 77 ASP HA 1 78 LEU H . . 4.300 2.769 2.567 3.114 . 0 0 "[ . 1 . 2 . 3 .]" 1 1326 1 77 ASP HA 1 79 PHE H . . 5.100 4.223 3.923 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1 1327 1 77 ASP HA 1 80 ARG H . . 6.000 5.784 5.293 6.054 0.054 32 0 "[ . 1 . 2 . 3 .]" 1 1328 1 77 ASP HA 1 80 ARG QD . . 6.000 4.861 3.870 6.156 0.156 28 0 "[ . 1 . 2 . 3 .]" 1 1329 1 77 ASP HA 1 80 ARG QG . . 6.000 4.610 4.079 5.628 . 0 0 "[ . 1 . 2 . 3 .]" 1 1330 1 77 ASP HB3 1 78 LEU H . . 4.900 4.446 4.201 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1 1331 1 77 ASP HB3 1 78 LEU HB3 . . 6.000 5.503 4.530 6.360 0.360 10 0 "[ . 1 . 2 . 3 .]" 1 1332 1 77 ASP HB3 1 78 LEU MD1 . . 6.300 5.973 3.366 6.952 0.652 6 7 "[ * .+ - 1 * * 2 * . 3 *.]" 1 1333 1 77 ASP HB3 1 79 PHE H . . 5.600 4.177 2.779 4.852 . 0 0 "[ . 1 . 2 . 3 .]" 1 1334 1 77 ASP HB3 1 80 ARG HA . . 6.000 5.490 4.234 6.819 0.819 18 2 "[ . 1 . + 2 . 3 - .]" 1 1335 1 77 ASP HB3 1 80 ARG QD . . 6.000 3.143 2.043 5.130 . 0 0 "[ . 1 . 2 . 3 .]" 1 1336 1 78 LEU H 1 78 LEU HB3 . . 4.200 3.073 2.767 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1 1337 1 78 LEU H 1 78 LEU MD1 . . 5.500 4.617 3.809 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1 1338 1 78 LEU H 1 78 LEU MD2 . . 5.800 3.956 2.868 4.879 . 0 0 "[ . 1 . 2 . 3 .]" 1 1339 1 78 LEU H 1 78 LEU HG . . 5.700 4.305 2.998 5.321 . 0 0 "[ . 1 . 2 . 3 .]" 1 1340 1 78 LEU H 1 79 PHE H . . 3.600 3.014 2.725 3.293 . 0 0 "[ . 1 . 2 . 3 .]" 1 1341 1 78 LEU H 1 80 ARG H . . 6.000 5.795 5.141 6.041 0.041 24 0 "[ . 1 . 2 . 3 .]" 1 1342 1 78 LEU HA 1 78 LEU MD1 . . 3.900 3.472 2.177 4.057 0.157 4 0 "[ . 1 . 2 . 3 .]" 1 1343 1 78 LEU HA 1 78 LEU HG . . 4.000 3.596 2.700 3.937 . 0 0 "[ . 1 . 2 . 3 .]" 1 1344 1 78 LEU HA 1 79 PHE H . . 4.300 3.127 2.587 3.496 . 0 0 "[ . 1 . 2 . 3 .]" 1 1345 1 78 LEU HA 1 80 ARG H . . 6.000 5.929 5.111 6.137 0.137 22 0 "[ . 1 . 2 . 3 .]" 1 1346 1 78 LEU HB3 1 79 PHE H . . 4.700 4.353 3.329 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1 1347 1 78 LEU MD1 1 79 PHE H . . 7.000 4.571 3.550 5.257 . 0 0 "[ . 1 . 2 . 3 .]" 1 1348 1 78 LEU MD1 1 80 ARG QB . . 7.000 5.349 3.498 6.957 . 0 0 "[ . 1 . 2 . 3 .]" 1 1349 1 78 LEU MD2 1 79 PHE CG . . 9.000 7.033 5.703 7.777 . 0 0 "[ . 1 . 2 . 3 .]" 1 1350 1 78 LEU MD2 1 79 PHE H . . 6.500 4.702 4.204 5.619 . 0 0 "[ . 1 . 2 . 3 .]" 1 1351 1 78 LEU MD2 1 80 ARG QD . . 6.500 4.224 2.149 6.806 0.306 10 0 "[ . 1 . 2 . 3 .]" 1 1352 1 78 LEU HG 1 79 PHE H . . 6.000 4.019 3.213 5.713 . 0 0 "[ . 1 . 2 . 3 .]" 1 1353 1 78 LEU HG 1 80 ARG H . . 6.000 4.730 3.435 6.075 0.075 26 0 "[ . 1 . 2 . 3 .]" 1 1354 1 78 LEU HG 1 80 ARG HA . . 6.000 3.859 2.372 5.394 . 0 0 "[ . 1 . 2 . 3 .]" 1 1355 1 78 LEU HG 1 80 ARG QB . . 6.000 5.304 4.045 6.256 0.256 8 0 "[ . 1 . 2 . 3 .]" 1 1356 1 78 LEU HG 1 80 ARG QG . . 6.000 3.894 2.207 5.726 . 0 0 "[ . 1 . 2 . 3 .]" 1 1357 1 79 PHE CG 1 80 ARG H . . 8.000 4.410 3.894 5.007 . 0 0 "[ . 1 . 2 . 3 .]" 1 1358 1 79 PHE CG 1 85 ILE MD . . 7.700 4.225 2.846 5.019 . 0 0 "[ . 1 . 2 . 3 .]" 1 1359 1 79 PHE CG 1 85 ILE HG12 . . 8.000 4.318 2.751 5.938 . 0 0 "[ . 1 . 2 . 3 .]" 1 1360 1 79 PHE CG 1 102 VAL MG1 . . 8.900 4.987 4.290 5.721 . 0 0 "[ . 1 . 2 . 3 .]" 1 1361 1 79 PHE CG 1 102 VAL MG2 . . 9.000 4.806 4.044 5.685 . 0 0 "[ . 1 . 2 . 3 .]" 1 1362 1 79 PHE CZ 1 85 ILE MD . . 9.000 3.560 2.379 5.103 . 0 0 "[ . 1 . 2 . 3 .]" 1 1363 1 79 PHE CZ 1 85 ILE HG12 . . 8.000 3.625 2.540 5.620 . 0 0 "[ . 1 . 2 . 3 .]" 1 1364 1 79 PHE CZ 1 85 ILE MG . . 9.000 4.446 3.441 5.880 . 0 0 "[ . 1 . 2 . 3 .]" 1 1365 1 79 PHE CZ 1 102 VAL MG1 . . 9.000 4.955 2.923 6.147 . 0 0 "[ . 1 . 2 . 3 .]" 1 1366 1 79 PHE H 1 79 PHE HB2 . . 4.000 3.315 2.813 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1 1367 1 79 PHE H 1 79 PHE HB3 . . 3.800 3.663 2.833 4.080 0.280 11 0 "[ . 1 . 2 . 3 .]" 1 1368 1 79 PHE H 1 80 ARG H . . 3.500 3.256 2.987 3.517 0.017 22 0 "[ . 1 . 2 . 3 .]" 1 1369 1 79 PHE H 1 80 ARG QD . . 6.000 5.095 3.490 5.980 . 0 0 "[ . 1 . 2 . 3 .]" 1 1370 1 79 PHE HA 1 80 ARG H . . 3.600 2.237 2.023 2.502 . 0 0 "[ . 1 . 2 . 3 .]" 1 1371 1 79 PHE HA 1 85 ILE MG . . 7.000 4.108 2.950 4.931 . 0 0 "[ . 1 . 2 . 3 .]" 1 1372 1 79 PHE HA 1 104 ALA MB . . 7.000 4.379 2.206 5.601 . 0 0 "[ . 1 . 2 . 3 .]" 1 1373 1 79 PHE HB2 1 80 ARG H . . 6.000 4.495 4.086 4.771 . 0 0 "[ . 1 . 2 . 3 .]" 1 1374 1 79 PHE HB2 1 85 ILE MG . . 7.000 5.129 2.158 6.133 . 0 0 "[ . 1 . 2 . 3 .]" 1 1375 1 79 PHE HB2 1 102 VAL MG1 . . 7.000 4.898 3.945 6.964 . 0 0 "[ . 1 . 2 . 3 .]" 1 1376 1 79 PHE HB3 1 80 ARG H . . 5.800 4.402 3.502 4.622 . 0 0 "[ . 1 . 2 . 3 .]" 1 1377 1 79 PHE HZ 1 85 ILE HG12 . . 6.000 3.883 2.293 6.329 0.329 4 0 "[ . 1 . 2 . 3 .]" 1 1378 1 80 ARG H 1 80 ARG QD . . 6.000 3.515 1.931 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1 1379 1 80 ARG H 1 80 ARG QG . . 4.400 2.485 2.079 3.231 . 0 0 "[ . 1 . 2 . 3 .]" 1 1380 1 80 ARG H 1 81 GLU H . . 6.000 4.345 2.929 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1 1381 1 80 ARG HA 1 80 ARG QD . . 4.900 3.369 2.127 4.312 . 0 0 "[ . 1 . 2 . 3 .]" 1 1382 1 80 ARG HA 1 81 GLU H . . 3.400 2.328 2.032 3.148 . 0 0 "[ . 1 . 2 . 3 .]" 1 1383 1 80 ARG QB 1 81 GLU H . . 4.700 3.289 2.386 3.760 . 0 0 "[ . 1 . 2 . 3 .]" 1 1384 1 80 ARG QB 1 83 GLN H . . 6.000 5.546 3.575 6.282 0.282 26 0 "[ . 1 . 2 . 3 .]" 1 1385 1 80 ARG QB 1 83 GLN HE21 . . 6.000 3.123 2.141 5.188 . 0 0 "[ . 1 . 2 . 3 .]" 1 1386 1 80 ARG QB 1 83 GLN HE22 . . 6.000 2.893 2.161 4.815 . 0 0 "[ . 1 . 2 . 3 .]" 1 1387 1 80 ARG QB 1 83 GLN QG . . 7.000 3.313 2.088 5.061 . 0 0 "[ . 1 . 2 . 3 .]" 1 1388 1 80 ARG QG 1 81 GLU H . . 6.000 4.376 3.787 4.952 . 0 0 "[ . 1 . 2 . 3 .]" 1 1389 1 80 ARG QG 1 83 GLN HE21 . . 6.000 4.801 3.954 5.959 . 0 0 "[ . 1 . 2 . 3 .]" 1 1390 1 80 ARG QG 1 83 GLN HE22 . . 6.000 4.234 3.146 5.122 . 0 0 "[ . 1 . 2 . 3 .]" 1 1391 1 81 GLU H 1 81 GLU HB2 . . 4.300 2.693 2.382 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1 1392 1 81 GLU H 1 81 GLU HB3 . . 3.900 3.584 3.455 4.047 0.147 15 0 "[ . 1 . 2 . 3 .]" 1 1393 1 81 GLU H 1 81 GLU HG2 . . 3.700 3.446 1.990 3.764 0.064 9 0 "[ . 1 . 2 . 3 .]" 1 1394 1 81 GLU H 1 81 GLU HG3 . . 4.800 2.783 2.070 4.140 . 0 0 "[ . 1 . 2 . 3 .]" 1 1395 1 81 GLU H 1 82 GLY H . . 5.900 4.561 3.620 4.693 . 0 0 "[ . 1 . 2 . 3 .]" 1 1396 1 81 GLU HA 1 82 GLY H . . 3.300 2.433 2.127 2.648 . 0 0 "[ . 1 . 2 . 3 .]" 1 1397 1 81 GLU HA 1 83 GLN H . . 5.300 3.761 3.275 4.797 . 0 0 "[ . 1 . 2 . 3 .]" 1 1398 1 81 GLU HB2 1 82 GLY H . . 4.600 3.594 3.195 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1 1399 1 81 GLU HB2 1 83 GLN H . . 6.000 5.766 5.368 6.503 0.503 20 1 "[ . 1 . + . 3 .]" 1 1400 1 81 GLU HB3 1 82 GLY H . . 4.100 2.608 2.113 4.339 0.239 24 0 "[ . 1 . 2 . 3 .]" 1 1401 1 81 GLU HG3 1 82 GLY H . . 5.900 4.653 4.281 5.712 . 0 0 "[ . 1 . 2 . 3 .]" 1 1402 1 82 GLY H 1 83 GLN H . . 3.700 2.755 2.055 3.446 . 0 0 "[ . 1 . 2 . 3 .]" 1 1403 1 82 GLY QA 1 83 GLN H . . 4.400 2.750 2.458 2.972 . 0 0 "[ . 1 . 2 . 3 .]" 1 1404 1 83 GLN H 1 83 GLN HB2 . . 3.900 3.916 3.731 4.013 0.113 27 0 "[ . 1 . 2 . 3 .]" 1 1405 1 83 GLN H 1 83 GLN HB3 . . 4.000 3.413 3.048 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1 1406 1 83 GLN H 1 83 GLN HE21 . . 4.600 4.537 3.499 4.917 0.317 5 0 "[ . 1 . 2 . 3 .]" 1 1407 1 83 GLN H 1 83 GLN HE22 . . 6.000 5.926 5.150 6.091 0.091 6 0 "[ . 1 . 2 . 3 .]" 1 1408 1 83 GLN H 1 84 GLY H . . 5.900 4.083 2.196 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1 1409 1 83 GLN H 1 106 HIS QB . . 6.000 6.047 5.526 6.192 0.192 28 0 "[ . 1 . 2 . 3 .]" 1 1410 1 83 GLN HA 1 84 GLY H . . 3.600 2.536 2.239 2.668 . 0 0 "[ . 1 . 2 . 3 .]" 1 1411 1 83 GLN HB2 1 83 GLN HE21 . . 4.400 3.832 2.323 4.538 0.138 9 0 "[ . 1 . 2 . 3 .]" 1 1412 1 83 GLN HB2 1 83 GLN HE22 . . 5.600 4.297 3.399 4.801 . 0 0 "[ . 1 . 2 . 3 .]" 1 1413 1 83 GLN HB2 1 84 GLY H . . 3.900 2.642 2.116 4.283 0.383 13 0 "[ . 1 . 2 . 3 .]" 1 1414 1 83 GLN HB3 1 84 GLY H . . 4.500 3.857 3.505 4.506 0.006 20 0 "[ . 1 . 2 . 3 .]" 1 1415 1 83 GLN HE21 1 84 GLY H . . 6.000 5.681 3.492 6.485 0.485 17 0 "[ . 1 . 2 . 3 .]" 1 1416 1 83 GLN HE22 1 104 ALA MB . . 7.000 3.721 1.950 6.439 . 0 0 "[ . 1 . 2 . 3 .]" 1 1417 1 83 GLN QG 1 84 GLY H . . 7.000 3.515 2.714 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 1418 1 83 GLN QG 1 85 ILE MD . . 8.000 5.386 3.622 6.021 . 0 0 "[ . 1 . 2 . 3 .]" 1 1419 1 84 GLY H 1 85 ILE H . . 4.600 4.493 4.123 4.636 0.036 7 0 "[ . 1 . 2 . 3 .]" 1 1420 1 84 GLY HA2 1 85 ILE H . . 3.500 2.159 2.065 2.227 . 0 0 "[ . 1 . 2 . 3 .]" 1 1421 1 84 GLY HA2 1 85 ILE MG . . 7.000 3.617 3.224 3.864 . 0 0 "[ . 1 . 2 . 3 .]" 1 1422 1 84 GLY HA3 1 85 ILE H . . 3.700 3.085 2.879 3.365 . 0 0 "[ . 1 . 2 . 3 .]" 1 1423 1 85 ILE H 1 85 ILE MD . . 5.400 3.815 2.280 4.360 . 0 0 "[ . 1 . 2 . 3 .]" 1 1424 1 85 ILE H 1 85 ILE HG12 . . 4.500 3.729 2.410 4.041 . 0 0 "[ . 1 . 2 . 3 .]" 1 1425 1 85 ILE H 1 85 ILE HG13 . . 3.900 2.550 2.147 4.486 0.586 32 1 "[ . 1 . 2 . 3 + .]" 1 1426 1 85 ILE H 1 85 ILE MG . . 4.700 3.071 2.693 3.327 . 0 0 "[ . 1 . 2 . 3 .]" 1 1427 1 85 ILE H 1 86 VAL H . . 5.500 4.389 4.293 4.468 . 0 0 "[ . 1 . 2 . 3 .]" 1 1428 1 85 ILE HA 1 85 ILE MD . . 4.700 3.720 3.589 4.002 . 0 0 "[ . 1 . 2 . 3 .]" 1 1429 1 85 ILE HA 1 85 ILE HG13 . . 4.300 3.701 3.638 4.250 . 0 0 "[ . 1 . 2 . 3 .]" 1 1430 1 85 ILE HA 1 85 ILE MG . . 3.700 2.413 2.305 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1 1431 1 85 ILE HA 1 86 VAL H . . 3.300 2.424 2.316 2.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 1432 1 85 ILE HA 1 102 VAL HB . . 6.000 5.921 5.371 6.063 0.063 4 0 "[ . 1 . 2 . 3 .]" 1 1433 1 85 ILE HA 1 103 LEU H . . 6.000 5.186 4.797 5.469 . 0 0 "[ . 1 . 2 . 3 .]" 1 1434 1 85 ILE HA 1 104 ALA HA . . 3.400 2.748 2.310 3.329 . 0 0 "[ . 1 . 2 . 3 .]" 1 1435 1 85 ILE HA 1 104 ALA MB . . 7.000 4.146 3.443 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1 1436 1 85 ILE HA 1 105 LYS H . . 4.200 3.458 2.466 4.213 0.013 18 0 "[ . 1 . 2 . 3 .]" 1 1437 1 85 ILE HB 1 86 VAL H . . 3.500 2.515 2.198 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1 1438 1 85 ILE HB 1 103 LEU H . . 6.000 4.017 3.661 4.344 . 0 0 "[ . 1 . 2 . 3 .]" 1 1439 1 85 ILE HB 1 104 ALA HA . . 6.000 2.731 2.252 3.333 . 0 0 "[ . 1 . 2 . 3 .]" 1 1440 1 85 ILE HB 1 104 ALA MB . . 7.000 3.430 2.660 3.961 . 0 0 "[ . 1 . 2 . 3 .]" 1 1441 1 85 ILE MD 1 86 VAL H . . 5.100 2.997 2.640 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1 1442 1 85 ILE MD 1 87 ALA H . . 7.000 3.586 3.020 5.227 . 0 0 "[ . 1 . 2 . 3 .]" 1 1443 1 85 ILE MD 1 87 ALA MB . . 6.200 2.405 2.063 3.399 . 0 0 "[ . 1 . 2 . 3 .]" 1 1444 1 85 ILE MD 1 102 VAL MG2 . . 7.100 3.527 2.884 4.298 . 0 0 "[ . 1 . 2 . 3 .]" 1 1445 1 85 ILE MD 1 104 ALA HA . . 7.000 4.369 3.987 4.958 . 0 0 "[ . 1 . 2 . 3 .]" 1 1446 1 85 ILE MD 1 104 ALA MB . . 6.500 4.261 3.474 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1 1447 1 85 ILE HG12 1 86 VAL H . . 5.800 4.771 3.022 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1 1448 1 85 ILE HG13 1 85 ILE MG . . 3.600 2.803 2.320 3.245 . 0 0 "[ . 1 . 2 . 3 .]" 1 1449 1 85 ILE HG13 1 86 VAL H . . 5.000 4.184 3.454 4.449 . 0 0 "[ . 1 . 2 . 3 .]" 1 1450 1 85 ILE MG 1 86 VAL H . . 5.500 3.873 3.648 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1 1451 1 85 ILE MG 1 104 ALA HA . . 5.700 2.252 2.106 2.779 . 0 0 "[ . 1 . 2 . 3 .]" 1 1452 1 85 ILE MG 1 104 ALA MB . . 6.200 2.388 2.048 2.894 . 0 0 "[ . 1 . 2 . 3 .]" 1 1453 1 85 ILE MG 1 105 LYS H . . 7.000 4.027 3.054 4.926 . 0 0 "[ . 1 . 2 . 3 .]" 1 1454 1 86 VAL H 1 87 ALA H . . 5.400 4.359 4.179 4.443 . 0 0 "[ . 1 . 2 . 3 .]" 1 1455 1 86 VAL H 1 103 LEU H . . 3.400 3.111 2.928 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1 1456 1 86 VAL H 1 103 LEU HB2 . . 5.500 3.747 3.410 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1 1457 1 86 VAL H 1 104 ALA HA . . 3.800 3.587 3.420 3.811 0.011 24 0 "[ . 1 . 2 . 3 .]" 1 1458 1 86 VAL H 1 104 ALA MB . . 7.000 4.815 4.404 5.073 . 0 0 "[ . 1 . 2 . 3 .]" 1 1459 1 86 VAL H 1 105 LYS H . . 5.600 3.976 3.381 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1 1460 1 86 VAL H 1 105 LYS QG . . 7.000 4.554 3.458 6.113 . 0 0 "[ . 1 . 2 . 3 .]" 1 1461 1 86 VAL HA 1 87 ALA H . . 3.100 2.162 2.094 2.247 . 0 0 "[ . 1 . 2 . 3 .]" 1 1462 1 86 VAL HB 1 87 ALA H . . 4.300 3.179 2.874 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1 1463 1 86 VAL HB 1 103 LEU H . . 6.000 4.820 4.334 5.188 . 0 0 "[ . 1 . 2 . 3 .]" 1 1464 1 86 VAL MG1 1 87 ALA H . . 6.100 3.935 3.592 4.179 . 0 0 "[ . 1 . 2 . 3 .]" 1 1465 1 86 VAL MG1 1 105 LYS QE . . 8.000 3.255 2.159 5.253 . 0 0 "[ . 1 . 2 . 3 .]" 1 1466 1 86 VAL MG2 1 87 ALA H . . 5.000 4.019 3.743 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1 1467 1 86 VAL MG2 1 103 LEU H . . 7.000 2.798 2.308 3.159 . 0 0 "[ . 1 . 2 . 3 .]" 1 1468 1 86 VAL MG2 1 103 LEU HB3 . . 5.600 3.481 3.348 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1 1469 1 86 VAL MG2 1 103 LEU MD2 . . 7.900 2.139 2.017 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 1 1470 1 86 VAL MG2 1 105 LYS QD . . 6.600 2.456 2.042 3.487 . 0 0 "[ . 1 . 2 . 3 .]" 1 1471 1 86 VAL MG2 1 105 LYS QE . . 8.000 3.206 1.909 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1 1472 1 87 ALA H 1 87 ALA MB . . 3.400 2.480 2.349 2.625 . 0 0 "[ . 1 . 2 . 3 .]" 1 1473 1 87 ALA H 1 88 GLN H . . 6.000 4.379 4.239 4.531 . 0 0 "[ . 1 . 2 . 3 .]" 1 1474 1 87 ALA HA 1 88 GLN H . . 3.200 2.211 2.101 2.392 . 0 0 "[ . 1 . 2 . 3 .]" 1 1475 1 87 ALA HA 1 102 VAL HA . . 3.100 2.122 2.068 2.205 . 0 0 "[ . 1 . 2 . 3 .]" 1 1476 1 87 ALA HA 1 102 VAL MG1 . . 7.000 2.459 2.085 2.896 . 0 0 "[ . 1 . 2 . 3 .]" 1 1477 1 87 ALA HA 1 102 VAL MG2 . . 7.000 4.595 4.283 4.786 . 0 0 "[ . 1 . 2 . 3 .]" 1 1478 1 87 ALA HA 1 103 LEU H . . 3.500 3.447 3.160 3.543 0.043 32 0 "[ . 1 . 2 . 3 .]" 1 1479 1 87 ALA MB 1 88 GLN H . . 4.000 3.129 2.771 3.342 . 0 0 "[ . 1 . 2 . 3 .]" 1 1480 1 87 ALA MB 1 99 ALA MB . . 6.600 2.190 1.995 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1 1481 1 87 ALA MB 1 101 GLU H . . 7.000 4.776 4.155 5.251 . 0 0 "[ . 1 . 2 . 3 .]" 1 1482 1 87 ALA MB 1 102 VAL HA . . 6.700 3.359 3.026 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1 1483 1 87 ALA MB 1 102 VAL HB . . 4.700 3.780 3.414 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1 1484 1 87 ALA MB 1 102 VAL MG1 . . 5.800 1.972 1.845 2.096 . 0 0 "[ . 1 . 2 . 3 .]" 1 1485 1 87 ALA MB 1 102 VAL MG2 . . 6.400 4.286 4.019 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1 1486 1 87 ALA MB 1 103 LEU MD2 . . 6.200 4.741 4.478 5.041 . 0 0 "[ . 1 . 2 . 3 .]" 1 1487 1 88 GLN H 1 88 GLN QB . . 3.900 2.561 2.092 3.172 . 0 0 "[ . 1 . 2 . 3 .]" 1 1488 1 88 GLN H 1 88 GLN QE . . 6.000 4.450 3.300 5.215 . 0 0 "[ . 1 . 2 . 3 .]" 1 1489 1 88 GLN H 1 99 ALA MB . . 7.000 3.084 2.588 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1 1490 1 88 GLN H 1 100 THR H . . 6.000 4.559 3.497 5.514 . 0 0 "[ . 1 . 2 . 3 .]" 1 1491 1 88 GLN H 1 101 GLU H . . 3.400 3.302 2.865 3.457 0.057 1 0 "[ . 1 . 2 . 3 .]" 1 1492 1 88 GLN H 1 101 GLU HB2 . . 6.000 3.466 2.472 5.197 . 0 0 "[ . 1 . 2 . 3 .]" 1 1493 1 88 GLN H 1 101 GLU HB3 . . 6.000 3.845 2.753 4.571 . 0 0 "[ . 1 . 2 . 3 .]" 1 1494 1 88 GLN H 1 102 VAL HA . . 3.600 3.375 2.758 3.621 0.021 3 0 "[ . 1 . 2 . 3 .]" 1 1495 1 88 GLN HA 1 88 GLN HG2 . . 4.300 2.981 2.460 4.048 . 0 0 "[ . 1 . 2 . 3 .]" 1 1496 1 88 GLN HA 1 88 GLN HG3 . . 4.400 3.365 2.271 3.911 . 0 0 "[ . 1 . 2 . 3 .]" 1 1497 1 88 GLN HA 1 89 GLY H . . 3.200 2.221 2.139 2.293 . 0 0 "[ . 1 . 2 . 3 .]" 1 1498 1 88 GLN QB 1 89 GLY H . . 4.500 3.324 2.394 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1 1499 1 88 GLN QB 1 100 THR H . . 6.000 5.124 4.429 5.827 . 0 0 "[ . 1 . 2 . 3 .]" 1 1500 1 88 GLN QB 1 101 GLU H . . 6.000 3.884 3.386 4.905 . 0 0 "[ . 1 . 2 . 3 .]" 1 1501 1 88 GLN QE 1 101 GLU H . . 6.000 4.606 3.450 5.303 . 0 0 "[ . 1 . 2 . 3 .]" 1 1502 1 88 GLN QE 1 101 GLU HB2 . . 6.000 2.788 1.968 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1 1503 1 88 GLN QE 1 101 GLU HB3 . . 6.000 2.738 2.035 4.758 . 0 0 "[ . 1 . 2 . 3 .]" 1 1504 1 88 GLN QE 1 101 GLU HG2 . . 6.000 3.544 2.068 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1 1505 1 88 GLN QE 1 101 GLU HG3 . . 6.000 3.580 2.103 4.636 . 0 0 "[ . 1 . 2 . 3 .]" 1 1506 1 88 GLN HG2 1 89 GLY H . . 5.900 3.525 2.213 4.986 . 0 0 "[ . 1 . 2 . 3 .]" 1 1507 1 88 GLN HG3 1 89 GLY H . . 5.800 4.114 2.582 5.386 . 0 0 "[ . 1 . 2 . 3 .]" 1 1508 1 89 GLY H 1 90 VAL H . . 4.400 4.002 3.467 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1 1509 1 89 GLY H 1 97 LEU QD . . 6.900 5.269 4.035 6.330 . 0 0 "[ . 1 . 2 . 3 .]" 1 1510 1 89 GLY HA2 1 90 VAL H . . 3.800 3.208 2.397 3.566 . 0 0 "[ . 1 . 2 . 3 .]" 1 1511 1 89 GLY HA2 1 91 LEU QD . . 7.000 6.237 5.496 6.605 . 0 0 "[ . 1 . 2 . 3 .]" 1 1512 1 89 GLY HA2 1 99 ALA HA . . 4.600 3.516 2.241 3.764 . 0 0 "[ . 1 . 2 . 3 .]" 1 1513 1 89 GLY HA2 1 99 ALA MB . . 7.000 4.446 3.312 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1 1514 1 89 GLY HA2 1 100 THR H . . 3.800 3.806 3.285 4.569 0.769 22 1 "[ . 1 . 2 + . 3 .]" 1 1515 1 89 GLY HA3 1 90 VAL H . . 3.400 2.295 2.183 2.604 . 0 0 "[ . 1 . 2 . 3 .]" 1 1516 1 89 GLY HA3 1 91 LEU QD . . 7.000 5.704 4.628 6.159 . 0 0 "[ . 1 . 2 . 3 .]" 1 1517 1 89 GLY HA3 1 99 ALA HA . . 4.400 2.125 2.050 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1 1518 1 89 GLY HA3 1 99 ALA MB . . 7.000 3.303 2.167 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1 1519 1 89 GLY HA3 1 100 THR H . . 4.700 3.131 2.476 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1 1520 1 90 VAL H 1 90 VAL HB . . 3.700 3.271 3.009 3.674 . 0 0 "[ . 1 . 2 . 3 .]" 1 1521 1 90 VAL H 1 90 VAL MG1 . . 4.000 2.320 2.124 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1 1522 1 90 VAL H 1 91 LEU H . . 4.700 4.371 4.261 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1 1523 1 90 VAL H 1 91 LEU QD . . 7.000 4.577 3.656 5.118 . 0 0 "[ . 1 . 2 . 3 .]" 1 1524 1 90 VAL H 1 97 LEU QD . . 7.000 5.050 4.116 5.755 . 0 0 "[ . 1 . 2 . 3 .]" 1 1525 1 90 VAL H 1 98 ALA H . . 3.500 3.497 3.332 3.555 0.055 32 0 "[ . 1 . 2 . 3 .]" 1 1526 1 90 VAL H 1 99 ALA HA . . 3.600 3.367 3.043 3.605 0.005 1 0 "[ . 1 . 2 . 3 .]" 1 1527 1 90 VAL H 1 99 ALA MB . . 5.300 4.203 3.492 4.449 . 0 0 "[ . 1 . 2 . 3 .]" 1 1528 1 90 VAL H 1 100 THR MG . . 7.000 5.048 4.316 5.831 . 0 0 "[ . 1 . 2 . 3 .]" 1 1529 1 90 VAL HA 1 91 LEU H . . 3.100 2.214 2.104 2.304 . 0 0 "[ . 1 . 2 . 3 .]" 1 1530 1 90 VAL HB 1 91 LEU H . . 4.700 4.011 3.753 4.173 . 0 0 "[ . 1 . 2 . 3 .]" 1 1531 1 90 VAL MG1 1 91 LEU H . . 6.100 3.825 3.598 4.184 . 0 0 "[ . 1 . 2 . 3 .]" 1 1532 1 90 VAL MG1 1 98 ALA MB . . 7.200 2.491 2.131 3.076 . 0 0 "[ . 1 . 2 . 3 .]" 1 1533 1 90 VAL MG2 1 91 LEU H . . 4.700 2.346 2.213 2.591 . 0 0 "[ . 1 . 2 . 3 .]" 1 1534 1 90 VAL MG2 1 98 ALA H . . 6.800 4.970 4.424 5.285 . 0 0 "[ . 1 . 2 . 3 .]" 1 1535 1 91 LEU H 1 91 LEU HB2 . . 3.500 2.325 2.176 2.612 . 0 0 "[ . 1 . 2 . 3 .]" 1 1536 1 91 LEU H 1 91 LEU HB3 . . 4.200 3.576 3.496 3.691 . 0 0 "[ . 1 . 2 . 3 .]" 1 1537 1 91 LEU H 1 91 LEU QD . . 4.900 2.290 2.058 2.685 . 0 0 "[ . 1 . 2 . 3 .]" 1 1538 1 91 LEU H 1 91 LEU HG . . 4.900 3.741 2.398 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1 1539 1 91 LEU H 1 92 GLY H . . 4.900 4.678 4.494 4.792 . 0 0 "[ . 1 . 2 . 3 .]" 1 1540 1 91 LEU HA 1 91 LEU HG . . 4.300 3.314 2.196 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1 1541 1 91 LEU HA 1 92 GLY H . . 3.200 2.278 2.119 2.442 . 0 0 "[ . 1 . 2 . 3 .]" 1 1542 1 91 LEU HA 1 97 LEU HA . . 3.200 2.432 2.103 2.777 . 0 0 "[ . 1 . 2 . 3 .]" 1 1543 1 91 LEU HA 1 97 LEU QD . . 6.300 2.949 2.129 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1 1544 1 91 LEU HA 1 98 ALA H . . 3.200 3.029 2.572 3.312 0.112 13 0 "[ . 1 . 2 . 3 .]" 1 1545 1 91 LEU HB2 1 92 GLY H . . 5.200 4.192 3.742 4.471 . 0 0 "[ . 1 . 2 . 3 .]" 1 1546 1 91 LEU HB2 1 97 LEU QD . . 6.800 4.452 3.899 4.974 . 0 0 "[ . 1 . 2 . 3 .]" 1 1547 1 91 LEU HB2 1 98 ALA H . . 5.800 5.806 5.466 6.025 0.225 7 0 "[ . 1 . 2 . 3 .]" 1 1548 1 91 LEU HB3 1 92 GLY H . . 4.200 3.064 2.603 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1 1549 1 91 LEU QD 1 92 GLY H . . 5.300 3.390 2.395 4.173 . 0 0 "[ . 1 . 2 . 3 .]" 1 1550 1 91 LEU QD 1 93 GLU H . . 7.000 5.203 3.378 6.407 . 0 0 "[ . 1 . 2 . 3 .]" 1 1551 1 91 LEU QD 1 95 GLY H . . 6.900 4.231 2.513 6.119 . 0 0 "[ . 1 . 2 . 3 .]" 1 1552 1 91 LEU QD 1 96 LYS H . . 7.000 4.841 3.615 6.014 . 0 0 "[ . 1 . 2 . 3 .]" 1 1553 1 91 LEU QD 1 97 LEU HA . . 6.000 3.011 2.161 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1 1554 1 91 LEU QD 1 97 LEU HB2 . . 7.000 4.270 3.513 5.229 . 0 0 "[ . 1 . 2 . 3 .]" 1 1555 1 91 LEU QD 1 97 LEU QD . . 7.000 1.909 1.679 2.371 . 0 0 "[ . 1 . 2 . 3 .]" 1 1556 1 91 LEU QD 1 97 LEU HG . . 5.500 3.045 1.922 4.162 . 0 0 "[ . 1 . 2 . 3 .]" 1 1557 1 91 LEU QD 1 98 ALA H . . 6.400 3.994 3.306 4.905 . 0 0 "[ . 1 . 2 . 3 .]" 1 1558 1 91 LEU HG 1 92 GLY H . . 5.700 4.777 3.692 5.509 . 0 0 "[ . 1 . 2 . 3 .]" 1 1559 1 92 GLY H 1 93 GLU H . . 4.200 3.021 1.931 4.277 0.077 3 0 "[ . 1 . 2 . 3 .]" 1 1560 1 92 GLY H 1 94 ASP H . . 6.000 4.722 3.473 5.909 . 0 0 "[ . 1 . 2 . 3 .]" 1 1561 1 92 GLY H 1 95 GLY H . . 6.000 4.863 3.443 6.079 0.079 9 0 "[ . 1 . 2 . 3 .]" 1 1562 1 92 GLY H 1 96 LYS H . . 4.700 4.465 3.668 4.836 0.136 30 0 "[ . 1 . 2 . 3 .]" 1 1563 1 92 GLY H 1 97 LEU HA . . 3.400 2.917 2.085 3.454 0.054 5 0 "[ . 1 . 2 . 3 .]" 1 1564 1 92 GLY H 1 97 LEU HB3 . . 6.000 5.221 4.329 5.889 . 0 0 "[ . 1 . 2 . 3 .]" 1 1565 1 92 GLY H 1 97 LEU QD . . 6.000 3.982 3.015 5.249 . 0 0 "[ . 1 . 2 . 3 .]" 1 1566 1 92 GLY H 1 98 ALA H . . 5.200 3.521 2.922 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1 1567 1 92 GLY QA 1 93 GLU H . . 4.300 2.443 2.085 2.964 . 0 0 "[ . 1 . 2 . 3 .]" 1 1568 1 92 GLY QA 1 94 ASP HA . . 5.300 5.418 4.711 5.652 0.352 29 0 "[ . 1 . 2 . 3 .]" 1 1569 1 92 GLY QA 1 98 ALA MB . . 5.800 3.390 2.330 4.457 . 0 0 "[ . 1 . 2 . 3 .]" 1 1570 1 93 GLU H 1 94 ASP H . . 5.300 3.188 1.988 4.666 . 0 0 "[ . 1 . 2 . 3 .]" 1 1571 1 93 GLU H 1 97 LEU QD . . 7.000 5.677 4.119 6.406 . 0 0 "[ . 1 . 2 . 3 .]" 1 1572 1 93 GLU HA 1 94 ASP H . . 3.700 2.942 2.142 3.610 . 0 0 "[ . 1 . 2 . 3 .]" 1 1573 1 93 GLU HB2 1 94 ASP H . . 4.600 3.948 3.137 4.614 0.014 11 0 "[ . 1 . 2 . 3 .]" 1 1574 1 93 GLU HB2 1 96 LYS HB2 . . 4.800 3.487 2.096 5.006 0.206 7 0 "[ . 1 . 2 . 3 .]" 1 1575 1 93 GLU HB2 1 96 LYS HB3 . . 5.200 4.399 2.659 5.419 0.219 19 0 "[ . 1 . 2 . 3 .]" 1 1576 1 93 GLU HB3 1 94 ASP H . . 4.500 3.362 1.983 4.505 0.005 12 0 "[ . 1 . 2 . 3 .]" 1 1577 1 93 GLU HB3 1 96 LYS HB2 . . 5.000 3.145 2.194 4.653 . 0 0 "[ . 1 . 2 . 3 .]" 1 1578 1 93 GLU HB3 1 96 LYS HB3 . . 5.300 4.385 2.723 5.320 0.020 34 0 "[ . 1 . 2 . 3 .]" 1 1579 1 93 GLU QG 1 94 ASP H . . 7.000 3.711 1.849 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1 1580 1 94 ASP H 1 95 GLY H . . 3.400 3.246 2.520 3.599 0.199 29 0 "[ . 1 . 2 . 3 .]" 1 1581 1 94 ASP H 1 95 GLY HA2 . . 5.900 5.444 4.539 6.004 0.104 4 0 "[ . 1 . 2 . 3 .]" 1 1582 1 94 ASP H 1 95 GLY HA3 . . 6.000 5.023 3.836 5.652 . 0 0 "[ . 1 . 2 . 3 .]" 1 1583 1 94 ASP H 1 96 LYS H . . 5.100 3.709 2.259 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1 1584 1 94 ASP HA 1 95 GLY H . . 5.100 2.645 2.127 3.568 . 0 0 "[ . 1 . 2 . 3 .]" 1 1585 1 94 ASP HB2 1 95 GLY H . . 5.600 4.193 2.191 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1 1586 1 95 GLY H 1 96 LYS H . . 3.300 2.467 1.977 3.069 . 0 0 "[ . 1 . 2 . 3 .]" 1 1587 1 95 GLY H 1 96 LYS QG . . 7.000 5.967 5.618 6.338 . 0 0 "[ . 1 . 2 . 3 .]" 1 1588 1 95 GLY H 1 97 LEU QD . . 7.000 4.783 3.446 6.348 . 0 0 "[ . 1 . 2 . 3 .]" 1 1589 1 95 GLY HA2 1 96 LYS H . . 4.400 3.516 3.106 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1 1590 1 95 GLY HA2 1 97 LEU QD . . 7.000 4.466 3.154 5.861 . 0 0 "[ . 1 . 2 . 3 .]" 1 1591 1 95 GLY HA3 1 96 LYS H . . 4.100 2.969 2.611 3.559 . 0 0 "[ . 1 . 2 . 3 .]" 1 1592 1 95 GLY HA3 1 97 LEU QD . . 7.000 5.189 4.125 6.473 . 0 0 "[ . 1 . 2 . 3 .]" 1 1593 1 96 LYS H 1 96 LYS HB2 . . 3.800 2.389 2.077 2.832 . 0 0 "[ . 1 . 2 . 3 .]" 1 1594 1 96 LYS H 1 96 LYS HB3 . . 4.000 3.483 3.027 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1 1595 1 96 LYS H 1 96 LYS HD2 . . 5.400 4.397 2.621 5.433 0.033 29 0 "[ . 1 . 2 . 3 .]" 1 1596 1 96 LYS H 1 96 LYS HD3 . . 5.300 3.211 2.369 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1 1597 1 96 LYS H 1 96 LYS HE2 . . 5.400 4.944 3.931 5.448 0.048 25 0 "[ . 1 . 2 . 3 .]" 1 1598 1 96 LYS H 1 96 LYS HE3 . . 5.100 4.961 3.827 5.468 0.368 27 0 "[ . 1 . 2 . 3 .]" 1 1599 1 96 LYS H 1 96 LYS QG . . 4.700 3.941 3.620 4.219 . 0 0 "[ . 1 . 2 . 3 .]" 1 1600 1 96 LYS H 1 97 LEU H . . 5.800 4.534 4.334 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1 1601 1 96 LYS H 1 97 LEU QD . . 7.000 4.296 3.330 5.385 . 0 0 "[ . 1 . 2 . 3 .]" 1 1602 1 96 LYS HA 1 96 LYS HD2 . . 4.600 3.286 2.255 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1 1603 1 96 LYS HA 1 96 LYS HD3 . . 4.300 3.002 2.212 4.053 . 0 0 "[ . 1 . 2 . 3 .]" 1 1604 1 96 LYS HA 1 96 LYS HE2 . . 6.000 4.854 2.540 5.583 . 0 0 "[ . 1 . 2 . 3 .]" 1 1605 1 96 LYS HA 1 96 LYS HE3 . . 5.300 4.898 2.782 5.500 0.200 26 0 "[ . 1 . 2 . 3 .]" 1 1606 1 96 LYS HA 1 97 LEU H . . 3.300 2.315 2.113 2.473 . 0 0 "[ . 1 . 2 . 3 .]" 1 1607 1 96 LYS HB2 1 96 LYS HD2 . . 4.100 3.622 2.606 3.928 . 0 0 "[ . 1 . 2 . 3 .]" 1 1608 1 96 LYS HB2 1 96 LYS HD3 . . 3.700 2.727 2.292 3.531 . 0 0 "[ . 1 . 2 . 3 .]" 1 1609 1 96 LYS HB2 1 97 LEU H . . 4.700 4.091 3.507 4.546 . 0 0 "[ . 1 . 2 . 3 .]" 1 1610 1 96 LYS HB3 1 96 LYS HD2 . . 4.400 4.107 3.683 4.283 . 0 0 "[ . 1 . 2 . 3 .]" 1 1611 1 96 LYS HB3 1 96 LYS HD3 . . 4.100 3.727 3.545 4.183 0.083 18 0 "[ . 1 . 2 . 3 .]" 1 1612 1 96 LYS HB3 1 96 LYS HE2 . . 5.700 4.654 3.306 5.564 . 0 0 "[ . 1 . 2 . 3 .]" 1 1613 1 96 LYS HB3 1 97 LEU H . . 3.700 2.866 2.183 3.630 . 0 0 "[ . 1 . 2 . 3 .]" 1 1614 1 96 LYS HD2 1 97 LEU H . . 6.000 5.023 4.306 5.784 . 0 0 "[ . 1 . 2 . 3 .]" 1 1615 1 96 LYS HD3 1 97 LEU H . . 5.900 4.995 4.100 5.787 . 0 0 "[ . 1 . 2 . 3 .]" 1 1616 1 96 LYS QG 1 97 LEU H . . 7.000 3.178 2.396 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1 1617 1 96 LYS QG 1 97 LEU QD . . 5.800 4.247 3.361 4.915 . 0 0 "[ . 1 . 2 . 3 .]" 1 1618 1 97 LEU H 1 97 LEU HB2 . . 4.200 2.570 2.261 2.956 . 0 0 "[ . 1 . 2 . 3 .]" 1 1619 1 97 LEU H 1 97 LEU HB3 . . 4.300 3.689 3.539 3.807 . 0 0 "[ . 1 . 2 . 3 .]" 1 1620 1 97 LEU H 1 97 LEU HG . . 5.100 3.508 2.393 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1 1621 1 97 LEU H 1 98 ALA H . . 5.300 4.454 4.355 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1 1622 1 97 LEU HA 1 97 LEU HG . . 3.800 3.153 2.304 3.832 0.032 15 0 "[ . 1 . 2 . 3 .]" 1 1623 1 97 LEU HA 1 98 ALA H . . 3.100 2.238 2.158 2.320 . 0 0 "[ . 1 . 2 . 3 .]" 1 1624 1 97 LEU HA 1 98 ALA MB . . 5.100 4.045 3.899 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1 1625 1 97 LEU HB2 1 98 ALA H . . 6.000 4.175 3.686 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1 1626 1 97 LEU HB3 1 98 ALA H . . 5.300 3.281 2.544 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1 1627 1 97 LEU QD 1 98 ALA H . . 6.100 3.834 3.137 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1 1628 1 97 LEU QD 1 98 ALA MB . . 7.500 4.951 4.467 5.342 . 0 0 "[ . 1 . 2 . 3 .]" 1 1629 1 97 LEU QD 1 99 ALA H . . 7.000 5.400 4.978 5.906 . 0 0 "[ . 1 . 2 . 3 .]" 1 1630 1 97 LEU QD 1 99 ALA MB . . 7.900 3.975 3.586 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1 1631 1 97 LEU HG 1 98 ALA H . . 5.600 5.069 4.249 5.629 0.029 27 0 "[ . 1 . 2 . 3 .]" 1 1632 1 98 ALA H 1 98 ALA MB . . 3.400 2.335 2.277 2.478 . 0 0 "[ . 1 . 2 . 3 .]" 1 1633 1 98 ALA H 1 99 ALA H . . 5.000 4.152 3.837 4.378 . 0 0 "[ . 1 . 2 . 3 .]" 1 1634 1 98 ALA HA 1 99 ALA H . . 3.200 2.229 2.181 2.296 . 0 0 "[ . 1 . 2 . 3 .]" 1 1635 1 98 ALA MB 1 99 ALA H . . 5.000 3.527 3.387 3.657 . 0 0 "[ . 1 . 2 . 3 .]" 1 1636 1 99 ALA H 1 99 ALA MB . . 3.400 2.475 2.327 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1 1637 1 99 ALA H 1 100 THR H . . 5.500 4.273 3.741 4.563 . 0 0 "[ . 1 . 2 . 3 .]" 1 1638 1 99 ALA HA 1 100 THR H . . 3.400 2.218 2.059 2.469 . 0 0 "[ . 1 . 2 . 3 .]" 1 1639 1 99 ALA HA 1 101 GLU H . . 4.700 3.713 3.372 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1 1640 1 99 ALA MB 1 100 THR H . . 4.500 3.142 2.550 3.738 . 0 0 "[ . 1 . 2 . 3 .]" 1 1641 1 99 ALA MB 1 100 THR HA . . 5.700 4.175 3.874 4.459 . 0 0 "[ . 1 . 2 . 3 .]" 1 1642 1 99 ALA MB 1 101 GLU H . . 4.700 3.575 2.987 3.922 . 0 0 "[ . 1 . 2 . 3 .]" 1 1643 1 100 THR H 1 100 THR HB . . 4.100 3.112 2.578 3.539 . 0 0 "[ . 1 . 2 . 3 .]" 1 1644 1 100 THR H 1 101 GLU H . . 3.300 2.180 1.935 2.769 . 0 0 "[ . 1 . 2 . 3 .]" 1 1645 1 100 THR HA 1 101 GLU H . . 4.100 3.495 3.237 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1 1646 1 100 THR HB 1 101 GLU H . . 5.000 4.383 4.108 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1 1647 1 100 THR HG1 1 101 GLU HA . . 6.000 5.119 4.076 5.733 . 0 0 "[ . 1 . 2 . 3 .]" 1 1648 1 100 THR HG1 1 102 VAL MG2 . . 7.000 5.530 4.638 6.599 . 0 0 "[ . 1 . 2 . 3 .]" 1 1649 1 100 THR MG 1 101 GLU H . . 6.200 2.824 2.233 3.486 . 0 0 "[ . 1 . 2 . 3 .]" 1 1650 1 101 GLU H 1 101 GLU HB3 . . 3.800 3.368 2.334 3.763 . 0 0 "[ . 1 . 2 . 3 .]" 1 1651 1 101 GLU H 1 101 GLU HG2 . . 5.400 3.875 2.753 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1 1652 1 101 GLU H 1 101 GLU HG3 . . 4.400 3.417 2.197 4.750 0.350 27 0 "[ . 1 . 2 . 3 .]" 1 1653 1 101 GLU H 1 102 VAL H . . 4.500 4.005 3.688 4.503 0.003 3 0 "[ . 1 . 2 . 3 .]" 1 1654 1 101 GLU H 1 102 VAL MG2 . . 7.000 5.170 4.677 5.524 . 0 0 "[ . 1 . 2 . 3 .]" 1 1655 1 101 GLU HA 1 102 VAL H . . 3.400 2.337 2.115 2.499 . 0 0 "[ . 1 . 2 . 3 .]" 1 1656 1 101 GLU HA 1 102 VAL MG2 . . 7.000 4.052 3.581 4.353 . 0 0 "[ . 1 . 2 . 3 .]" 1 1657 1 101 GLU HB2 1 102 VAL H . . 4.600 4.530 4.314 4.626 0.026 9 0 "[ . 1 . 2 . 3 .]" 1 1658 1 101 GLU HB3 1 102 VAL H . . 4.500 4.215 3.383 4.550 0.050 24 0 "[ . 1 . 2 . 3 .]" 1 1659 1 101 GLU HG2 1 102 VAL H . . 5.900 4.901 3.123 5.751 . 0 0 "[ . 1 . 2 . 3 .]" 1 1660 1 101 GLU HG3 1 102 VAL H . . 6.000 4.999 3.284 5.965 . 0 0 "[ . 1 . 2 . 3 .]" 1 1661 1 102 VAL H 1 102 VAL HB . . 4.000 3.741 3.585 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1 1662 1 102 VAL H 1 102 VAL MG2 . . 4.200 2.134 1.986 2.359 . 0 0 "[ . 1 . 2 . 3 .]" 1 1663 1 102 VAL H 1 103 LEU H . . 5.700 4.448 4.208 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1 1664 1 102 VAL HA 1 103 LEU H . . 3.100 2.145 2.104 2.258 . 0 0 "[ . 1 . 2 . 3 .]" 1 1665 1 102 VAL HB 1 103 LEU H . . 4.900 3.179 2.598 3.939 . 0 0 "[ . 1 . 2 . 3 .]" 1 1666 1 102 VAL MG1 1 103 LEU H . . 5.100 3.828 3.419 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1 1667 1 102 VAL MG2 1 103 LEU H . . 6.400 4.040 3.562 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1 1668 1 103 LEU H 1 103 LEU HB2 . . 4.000 2.797 2.634 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1 1669 1 103 LEU H 1 103 LEU MD1 . . 4.800 3.367 2.929 3.675 . 0 0 "[ . 1 . 2 . 3 .]" 1 1670 1 103 LEU H 1 103 LEU MD2 . . 5.000 2.298 2.034 2.529 . 0 0 "[ . 1 . 2 . 3 .]" 1 1671 1 103 LEU H 1 103 LEU HG . . 4.600 4.290 4.154 4.453 . 0 0 "[ . 1 . 2 . 3 .]" 1 1672 1 103 LEU H 1 104 ALA H . . 4.600 4.201 3.781 4.569 . 0 0 "[ . 1 . 2 . 3 .]" 1 1673 1 103 LEU HA 1 103 LEU MD1 . . 4.600 2.403 2.247 2.588 . 0 0 "[ . 1 . 2 . 3 .]" 1 1674 1 103 LEU HA 1 103 LEU HG . . 4.000 3.797 3.657 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1 1675 1 103 LEU HA 1 104 ALA H . . 4.200 2.192 2.147 2.310 . 0 0 "[ . 1 . 2 . 3 .]" 1 1676 1 103 LEU HA 1 104 ALA MB . . 6.900 4.026 3.891 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1 1677 1 103 LEU HB2 1 104 ALA H . . 4.300 4.206 3.668 4.360 0.060 20 0 "[ . 1 . 2 . 3 .]" 1 1678 1 103 LEU HB3 1 104 ALA H . . 3.900 3.557 2.789 3.931 0.031 3 0 "[ . 1 . 2 . 3 .]" 1 1679 1 103 LEU MD1 1 104 ALA H . . 5.700 4.164 3.908 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1 1680 1 103 LEU MD2 1 104 ALA H . . 7.000 5.119 4.920 5.209 . 0 0 "[ . 1 . 2 . 3 .]" 1 1681 1 103 LEU MD2 1 105 LYS H . . 7.000 5.726 4.957 6.945 . 0 0 "[ . 1 . 2 . 3 .]" 1 1682 1 103 LEU MD2 1 105 LYS QD . . 6.500 4.456 4.001 5.162 . 0 0 "[ . 1 . 2 . 3 .]" 1 1683 1 103 LEU HG 1 104 ALA H . . 6.000 5.606 4.980 5.829 . 0 0 "[ . 1 . 2 . 3 .]" 1 1684 1 104 ALA H 1 105 LYS H . . 4.700 3.731 2.940 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1 1685 1 104 ALA HA 1 105 LYS H . . 3.300 2.488 2.188 2.984 . 0 0 "[ . 1 . 2 . 3 .]" 1 1686 1 104 ALA HA 1 105 LYS QG . . 6.200 4.434 3.586 5.561 . 0 0 "[ . 1 . 2 . 3 .]" 1 1687 1 104 ALA MB 1 105 LYS H . . 4.500 3.641 3.207 3.778 . 0 0 "[ . 1 . 2 . 3 .]" 1 1688 1 104 ALA MB 1 105 LYS HB2 . . 7.000 6.014 5.725 6.171 . 0 0 "[ . 1 . 2 . 3 .]" 1 1689 1 104 ALA MB 1 106 HIS H . . 4.900 3.733 2.999 4.119 . 0 0 "[ . 1 . 2 . 3 .]" 1 1690 1 105 LYS H 1 105 LYS HB2 . . 4.000 3.705 3.541 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1 1691 1 105 LYS H 1 105 LYS HB3 . . 4.100 2.818 2.324 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1 1692 1 105 LYS H 1 105 LYS QD . . 5.100 3.141 1.940 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 1693 1 105 LYS H 1 105 LYS QE . . 7.000 4.194 2.096 5.303 . 0 0 "[ . 1 . 2 . 3 .]" 1 1694 1 105 LYS HA 1 106 HIS H . . 3.700 2.771 2.164 3.552 . 0 0 "[ . 1 . 2 . 3 .]" 1 1695 1 105 LYS QE 1 106 HIS HD2 . . 7.000 5.384 3.445 6.333 . 0 0 "[ . 1 . 2 . 3 .]" 1 1696 1 106 HIS H 1 106 HIS HD2 . . 6.000 3.953 1.977 5.421 . 0 0 "[ . 1 . 2 . 3 .]" 1 1697 1 106 HIS H 1 107 ASP H . . 4.200 3.348 2.294 4.271 0.071 34 0 "[ . 1 . 2 . 3 .]" 1 1698 1 106 HIS HA 1 107 ASP H . . 4.100 2.819 2.117 3.608 . 0 0 "[ . 1 . 2 . 3 .]" 1 1699 1 106 HIS QB 1 107 ASP H . . 4.700 3.393 1.975 4.147 . 0 0 "[ . 1 . 2 . 3 .]" 1 stop_ save_
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