NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
607993 | 2ncl | 26031 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ncl 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 1865 _Distance_constraint_stats_list.Viol_count 4692 _Distance_constraint_stats_list.Viol_total 4238.700 _Distance_constraint_stats_list.Viol_max 1.966 _Distance_constraint_stats_list.Viol_rms 0.0294 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0057 _Distance_constraint_stats_list.Viol_average_violations_only 0.0452 _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 2 THR 0.591 0.118 14 0 "[ . 1 . 2]" 1 3 GLN 7.939 0.904 17 1 "[ . 1 . + 2]" 1 4 THR 2.740 0.101 14 0 "[ . 1 . 2]" 1 5 GLU 1.012 0.065 7 0 "[ . 1 . 2]" 1 6 GLY 0.753 0.043 6 0 "[ . 1 . 2]" 1 7 GLU 3.301 0.098 11 0 "[ . 1 . 2]" 1 8 LEU 9.284 0.904 17 1 "[ . 1 . + 2]" 1 9 ARG 6.124 0.245 1 0 "[ . 1 . 2]" 1 10 VAL 11.356 0.528 4 1 "[ +. 1 . 2]" 1 11 THR 5.006 0.094 7 0 "[ . 1 . 2]" 1 12 GLN 4.655 0.171 15 0 "[ . 1 . 2]" 1 13 ILE 2.841 0.077 10 0 "[ . 1 . 2]" 1 14 LEU 4.132 0.078 4 0 "[ . 1 . 2]" 1 15 LYS 7.222 0.133 15 0 "[ . 1 . 2]" 1 16 GLU 6.140 0.159 7 0 "[ . 1 . 2]" 1 17 LYS 4.845 0.126 17 0 "[ . 1 . 2]" 1 18 PHE 10.897 0.300 10 0 "[ . 1 . 2]" 1 19 PRO 7.095 0.159 7 0 "[ . 1 . 2]" 1 20 ARG 3.802 0.193 7 0 "[ . 1 . 2]" 1 21 ALA 1.001 0.065 4 0 "[ . 1 . 2]" 1 22 THR 3.194 0.098 16 0 "[ . 1 . 2]" 1 23 ALA 2.033 0.104 4 0 "[ . 1 . 2]" 1 24 ILE 1.085 0.055 4 0 "[ . 1 . 2]" 1 25 LYS 1.954 0.061 2 0 "[ . 1 . 2]" 1 26 VAL 2.450 0.077 16 0 "[ . 1 . 2]" 1 27 THR 5.551 0.125 6 0 "[ . 1 . 2]" 1 28 ASP 7.593 0.121 11 0 "[ . 1 . 2]" 1 29 ILE 5.498 0.121 11 0 "[ . 1 . 2]" 1 30 SER 3.035 0.155 14 0 "[ . 1 . 2]" 1 31 GLY 0.844 0.083 5 0 "[ . 1 . 2]" 1 32 GLY 0.899 0.070 13 0 "[ . 1 . 2]" 1 33 CYS 1.032 0.073 6 0 "[ . 1 . 2]" 1 34 GLY 3.256 0.155 14 0 "[ . 1 . 2]" 1 35 ALA 1.550 0.091 16 0 "[ . 1 . 2]" 1 36 MET 4.301 0.108 11 0 "[ . 1 . 2]" 1 37 TYR 10.102 0.897 1 2 "[+ . - 1 . 2]" 1 38 GLU 4.340 0.125 6 0 "[ . 1 . 2]" 1 39 ILE 1.061 0.051 2 0 "[ . 1 . 2]" 1 40 LYS 2.921 0.241 2 0 "[ . 1 . 2]" 1 41 ILE 7.755 0.254 20 0 "[ . 1 . 2]" 1 42 GLU 9.085 0.236 6 0 "[ . 1 . 2]" 1 43 SER 2.973 0.100 12 0 "[ . 1 . 2]" 1 44 GLU 5.049 0.122 14 0 "[ . 1 . 2]" 1 45 GLU 2.822 0.102 8 0 "[ . 1 . 2]" 1 46 PHE 8.464 0.254 20 0 "[ . 1 . 2]" 1 47 LYS 13.747 1.966 7 10 "[ ***.*+ * -*.** 2]" 1 48 GLU 11.729 1.966 7 10 "[ ***.*+ * -*.** 2]" 1 49 LYS 3.495 0.078 18 0 "[ . 1 . 2]" 1 50 ARG 9.400 0.221 16 0 "[ . 1 . 2]" 1 51 THR 2.493 0.138 16 0 "[ . 1 . 2]" 1 52 VAL 1.028 0.037 6 0 "[ . 1 . 2]" 1 53 GLN 2.527 0.144 20 0 "[ . 1 . 2]" 1 54 GLN 1.008 0.045 2 0 "[ . 1 . 2]" 1 55 HIS 1.334 0.050 15 0 "[ . 1 . 2]" 1 56 GLN 2.059 0.127 8 0 "[ . 1 . 2]" 1 57 MET 5.119 0.258 19 0 "[ . 1 . 2]" 1 58 VAL 8.628 0.300 10 0 "[ . 1 . 2]" 1 59 ASN 2.872 0.081 16 0 "[ . 1 . 2]" 1 60 GLN 4.981 0.192 19 0 "[ . 1 . 2]" 1 61 ALA 2.664 0.089 3 0 "[ . 1 . 2]" 1 62 LEU 8.539 0.128 6 0 "[ . 1 . 2]" 1 63 LYS 6.239 0.126 14 0 "[ . 1 . 2]" 1 64 GLU 7.715 0.187 1 0 "[ . 1 . 2]" 1 65 GLU 6.882 0.528 4 1 "[ +. 1 . 2]" 1 66 ILE 3.457 0.897 1 2 "[+ . - 1 . 2]" 1 67 LYS 6.323 0.145 7 0 "[ . 1 . 2]" 1 68 GLU 4.752 0.188 16 0 "[ . 1 . 2]" 1 69 MET 0.477 0.053 6 0 "[ . 1 . 2]" 1 70 HIS 1.621 0.083 4 0 "[ . 1 . 2]" 1 71 GLY 3.539 0.099 14 0 "[ . 1 . 2]" 1 72 LEU 8.162 0.197 3 0 "[ . 1 . 2]" 1 73 ARG 2.811 0.083 1 0 "[ . 1 . 2]" 1 74 ILE 6.801 0.222 20 0 "[ . 1 . 2]" 1 75 PHE 7.530 0.241 2 0 "[ . 1 . 2]" 1 76 THR 8.476 0.236 6 0 "[ . 1 . 2]" 1 77 SER 2.874 0.136 5 0 "[ . 1 . 2]" 1 78 VAL 5.272 0.079 1 0 "[ . 1 . 2]" 1 79 PRO 4.951 0.099 8 0 "[ . 1 . 2]" 1 80 LYS 3.376 0.135 2 0 "[ . 1 . 2]" 1 81 ARG 1.001 0.079 12 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 THR HA 1 2 THR HB . . 2.950 2.707 2.212 3.005 0.055 2 0 "[ . 1 . 2]" 1 2 1 2 THR HA 1 2 THR MG . . 3.490 2.797 2.181 3.267 . 0 0 "[ . 1 . 2]" 1 3 1 2 THR HA 1 3 GLN H . . 3.230 2.537 2.153 3.348 0.118 14 0 "[ . 1 . 2]" 1 4 1 2 THR HA 1 3 GLN HB2 . . 5.020 4.370 3.759 5.035 0.015 7 0 "[ . 1 . 2]" 1 5 1 2 THR HB 1 3 GLN H . . 4.800 3.884 2.587 4.623 . 0 0 "[ . 1 . 2]" 1 6 1 2 THR MG 1 3 GLN H . . 4.850 2.942 1.835 4.095 . 0 0 "[ . 1 . 2]" 1 7 1 2 THR MG 1 4 THR H . . 5.500 5.232 4.841 5.549 0.049 14 0 "[ . 1 . 2]" 1 8 1 3 GLN H 1 3 GLN HB2 . . 3.830 2.657 2.106 3.072 . 0 0 "[ . 1 . 2]" 1 9 1 3 GLN H 1 3 GLN HG2 . . 5.400 4.508 3.349 5.042 . 0 0 "[ . 1 . 2]" 1 10 1 3 GLN H 1 3 GLN QG . . 4.910 3.740 2.781 4.204 . 0 0 "[ . 1 . 2]" 1 11 1 3 GLN H 1 4 THR H . . 5.340 4.442 4.183 4.656 . 0 0 "[ . 1 . 2]" 1 12 1 3 GLN H 1 28 ASP HB3 . . 4.780 4.617 3.810 4.842 0.062 7 0 "[ . 1 . 2]" 1 13 1 3 GLN HA 1 3 GLN HE22 . . 4.250 3.946 3.272 4.334 0.084 18 0 "[ . 1 . 2]" 1 14 1 3 GLN HA 1 3 GLN HG2 . . 3.280 3.005 2.419 3.417 0.137 9 0 "[ . 1 . 2]" 1 15 1 3 GLN HA 1 3 GLN QG . . 3.510 2.151 2.030 2.870 . 0 0 "[ . 1 . 2]" 1 16 1 3 GLN HA 1 3 GLN HG3 . . 3.690 2.307 2.073 3.703 0.013 3 0 "[ . 1 . 2]" 1 17 1 3 GLN HA 1 4 THR H . . 2.880 2.224 2.057 2.604 . 0 0 "[ . 1 . 2]" 1 18 1 3 GLN HB2 1 4 THR H . . 4.360 4.090 2.951 4.379 0.019 18 0 "[ . 1 . 2]" 1 19 1 3 GLN HB2 1 8 LEU QD . . 4.080 4.116 3.053 4.573 0.493 3 0 "[ . 1 . 2]" 1 20 1 3 GLN HB3 1 3 GLN HE22 . . 4.800 4.353 2.133 4.657 . 0 0 "[ . 1 . 2]" 1 21 1 3 GLN HB3 1 4 THR H . . 3.660 2.964 2.253 3.436 . 0 0 "[ . 1 . 2]" 1 22 1 3 GLN HB3 1 8 LEU HG . . 4.570 4.378 3.286 4.625 0.055 18 0 "[ . 1 . 2]" 1 23 1 3 GLN HE21 1 8 LEU QD . . 4.950 4.026 2.423 5.854 0.904 17 1 "[ . 1 . + 2]" 1 24 1 3 GLN HE22 1 3 GLN QG . . 3.550 2.206 2.130 2.633 . 0 0 "[ . 1 . 2]" 1 25 1 3 GLN HE22 1 3 GLN HG3 . . 3.720 2.437 2.186 3.622 . 0 0 "[ . 1 . 2]" 1 26 1 3 GLN HE22 1 4 THR H . . 5.370 5.145 4.714 5.404 0.034 7 0 "[ . 1 . 2]" 1 27 1 3 GLN HE22 1 8 LEU QD . . 4.760 3.636 2.458 4.717 . 0 0 "[ . 1 . 2]" 1 28 1 3 GLN HE22 1 8 LEU MD2 . . 5.280 3.700 2.616 4.788 . 0 0 "[ . 1 . 2]" 1 29 1 3 GLN QG 1 4 THR H . . 4.580 3.057 2.413 4.168 . 0 0 "[ . 1 . 2]" 1 30 1 3 GLN QG 1 8 LEU QD . . 4.240 2.549 2.091 3.420 . 0 0 "[ . 1 . 2]" 1 31 1 3 GLN HG2 1 4 THR H . . 4.540 3.649 2.485 4.608 0.068 3 0 "[ . 1 . 2]" 1 32 1 3 GLN HG2 1 8 LEU QD . . 5.000 2.708 2.125 4.578 . 0 0 "[ . 1 . 2]" 1 33 1 3 GLN HG3 1 8 LEU QD . . 5.070 3.439 2.861 3.845 . 0 0 "[ . 1 . 2]" 1 34 1 3 GLN HG3 1 8 LEU HG . . 5.350 5.148 4.592 5.428 0.078 20 0 "[ . 1 . 2]" 1 35 1 4 THR H 1 4 THR MG . . 3.270 2.990 2.647 3.239 . 0 0 "[ . 1 . 2]" 1 36 1 4 THR H 1 5 GLU H . . 4.860 4.482 4.394 4.598 . 0 0 "[ . 1 . 2]" 1 37 1 4 THR H 1 7 GLU H . . 4.410 3.208 2.973 3.463 . 0 0 "[ . 1 . 2]" 1 38 1 4 THR H 1 7 GLU HA . . 5.240 4.738 4.557 4.991 . 0 0 "[ . 1 . 2]" 1 39 1 4 THR H 1 7 GLU HB2 . . 3.970 2.074 1.896 2.338 . 0 0 "[ . 1 . 2]" 1 40 1 4 THR H 1 7 GLU HB3 . . 3.590 2.775 2.331 3.101 . 0 0 "[ . 1 . 2]" 1 41 1 4 THR H 1 7 GLU HG2 . . 5.080 4.311 3.950 4.657 . 0 0 "[ . 1 . 2]" 1 42 1 4 THR H 1 8 LEU H . . 4.920 4.412 3.695 4.747 . 0 0 "[ . 1 . 2]" 1 43 1 4 THR H 1 8 LEU HG . . 5.500 4.527 3.678 4.951 . 0 0 "[ . 1 . 2]" 1 44 1 4 THR H 1 28 ASP HB3 . . 4.640 3.474 3.008 4.004 . 0 0 "[ . 1 . 2]" 1 45 1 4 THR HA 1 4 THR HB . . 2.880 2.462 2.402 2.510 . 0 0 "[ . 1 . 2]" 1 46 1 4 THR HA 1 4 THR MG . . 3.270 2.390 2.229 2.481 . 0 0 "[ . 1 . 2]" 1 47 1 4 THR HA 1 5 GLU H . . 2.950 2.576 2.431 2.771 . 0 0 "[ . 1 . 2]" 1 48 1 4 THR HA 1 5 GLU HA . . 4.920 4.551 4.398 4.658 . 0 0 "[ . 1 . 2]" 1 49 1 4 THR HA 1 6 GLY H . . 4.440 4.141 3.792 4.420 . 0 0 "[ . 1 . 2]" 1 50 1 4 THR HA 1 7 GLU HB2 . . 5.000 4.585 4.390 4.796 . 0 0 "[ . 1 . 2]" 1 51 1 4 THR HA 1 28 ASP HB2 . . 5.110 5.176 5.128 5.211 0.101 14 0 "[ . 1 . 2]" 1 52 1 4 THR HB 1 5 GLU H . . 3.140 2.314 2.118 2.588 . 0 0 "[ . 1 . 2]" 1 53 1 4 THR HB 1 5 GLU HB2 . . 4.160 4.055 3.831 4.189 0.029 6 0 "[ . 1 . 2]" 1 54 1 4 THR HB 1 6 GLY H . . 3.750 2.402 2.107 2.690 . 0 0 "[ . 1 . 2]" 1 55 1 4 THR HB 1 6 GLY HA3 . . 4.410 3.924 3.457 4.320 . 0 0 "[ . 1 . 2]" 1 56 1 4 THR HB 1 7 GLU H . . 3.580 3.553 3.374 3.608 0.028 15 0 "[ . 1 . 2]" 1 57 1 4 THR MG 1 5 GLU H . . 4.110 3.715 3.570 3.939 . 0 0 "[ . 1 . 2]" 1 58 1 4 THR MG 1 6 GLY H . . 5.360 3.962 3.733 4.304 . 0 0 "[ . 1 . 2]" 1 59 1 4 THR MG 1 7 GLU H . . 5.130 3.946 3.757 4.310 . 0 0 "[ . 1 . 2]" 1 60 1 4 THR MG 1 7 GLU HB2 . . 4.360 3.815 3.526 4.048 . 0 0 "[ . 1 . 2]" 1 61 1 4 THR MG 1 7 GLU HG2 . . 5.420 5.394 5.114 5.482 0.062 6 0 "[ . 1 . 2]" 1 62 1 4 THR MG 1 28 ASP HB2 . . 4.040 2.893 2.640 3.398 . 0 0 "[ . 1 . 2]" 1 63 1 4 THR MG 1 28 ASP HB3 . . 4.710 3.378 3.069 3.692 . 0 0 "[ . 1 . 2]" 1 64 1 4 THR MG 1 32 GLY H . . 5.500 5.485 4.789 5.561 0.061 8 0 "[ . 1 . 2]" 1 65 1 4 THR MG 1 35 ALA H . . 5.060 4.969 4.664 5.082 0.022 17 0 "[ . 1 . 2]" 1 66 1 5 GLU H 1 5 GLU HB2 . . 3.290 2.275 2.182 2.365 . 0 0 "[ . 1 . 2]" 1 67 1 5 GLU H 1 5 GLU HB3 . . 3.520 3.541 3.496 3.564 0.044 20 0 "[ . 1 . 2]" 1 68 1 5 GLU H 1 5 GLU HG2 . . 4.090 3.619 2.656 4.016 . 0 0 "[ . 1 . 2]" 1 69 1 5 GLU H 1 5 GLU HG3 . . 4.460 3.081 2.402 4.152 . 0 0 "[ . 1 . 2]" 1 70 1 5 GLU H 1 6 GLY H . . 3.670 2.508 2.388 2.581 . 0 0 "[ . 1 . 2]" 1 71 1 5 GLU H 1 6 GLY HA2 . . 5.210 5.191 5.068 5.248 0.038 5 0 "[ . 1 . 2]" 1 72 1 5 GLU H 1 7 GLU H . . 4.910 4.346 4.115 4.472 . 0 0 "[ . 1 . 2]" 1 73 1 5 GLU HA 1 5 GLU HB3 . . 2.870 2.571 2.500 2.661 . 0 0 "[ . 1 . 2]" 1 74 1 5 GLU HA 1 5 GLU HG2 . . 3.790 2.694 2.310 3.665 . 0 0 "[ . 1 . 2]" 1 75 1 5 GLU HA 1 5 GLU HG3 . . 3.560 2.991 2.393 3.625 0.065 7 0 "[ . 1 . 2]" 1 76 1 5 GLU HA 1 7 GLU H . . 5.120 4.475 4.179 4.791 . 0 0 "[ . 1 . 2]" 1 77 1 5 GLU HA 1 8 LEU H . . 4.220 3.682 3.270 4.224 0.004 14 0 "[ . 1 . 2]" 1 78 1 5 GLU HA 1 8 LEU QD . . 3.430 2.679 2.317 3.307 . 0 0 "[ . 1 . 2]" 1 79 1 5 GLU HB2 1 6 GLY H . . 3.710 2.986 2.608 3.275 . 0 0 "[ . 1 . 2]" 1 80 1 5 GLU HB3 1 6 GLY H . . 3.820 3.709 3.487 3.856 0.036 5 0 "[ . 1 . 2]" 1 81 1 5 GLU HB3 1 9 ARG H . . 5.450 4.986 4.702 5.398 . 0 0 "[ . 1 . 2]" 1 82 1 5 GLU HG2 1 6 GLY H . . 5.500 5.111 4.679 5.424 . 0 0 "[ . 1 . 2]" 1 83 1 5 GLU HG3 1 8 LEU QD . . 5.450 4.287 2.925 5.241 . 0 0 "[ . 1 . 2]" 1 84 1 6 GLY H 1 7 GLU H . . 3.560 2.800 2.683 2.855 . 0 0 "[ . 1 . 2]" 1 85 1 6 GLY H 1 7 GLU HA . . 5.360 5.371 5.308 5.403 0.043 6 0 "[ . 1 . 2]" 1 86 1 6 GLY H 1 8 LEU HG . . 5.500 4.977 4.660 5.449 . 0 0 "[ . 1 . 2]" 1 87 1 6 GLY H 1 37 TYR QE . . 5.500 4.587 4.410 4.789 . 0 0 "[ . 1 . 2]" 1 88 1 6 GLY HA2 1 9 ARG QB . . 3.750 2.287 2.086 2.429 . 0 0 "[ . 1 . 2]" 1 89 1 6 GLY HA2 1 10 VAL H . . 4.630 3.677 3.473 3.884 . 0 0 "[ . 1 . 2]" 1 90 1 6 GLY HA2 1 10 VAL MG2 . . 5.090 3.522 3.297 3.728 . 0 0 "[ . 1 . 2]" 1 91 1 6 GLY HA2 1 37 TYR QE . . 5.060 5.027 4.868 5.094 0.034 4 0 "[ . 1 . 2]" 1 92 1 6 GLY HA2 1 66 ILE MD . . 4.670 3.176 2.424 4.303 . 0 0 "[ . 1 . 2]" 1 93 1 6 GLY HA3 1 9 ARG H . . 4.960 4.751 4.610 4.892 . 0 0 "[ . 1 . 2]" 1 94 1 6 GLY HA3 1 9 ARG QB . . 3.890 3.835 3.627 3.919 0.029 4 0 "[ . 1 . 2]" 1 95 1 6 GLY HA3 1 10 VAL MG2 . . 5.090 3.793 3.634 4.069 . 0 0 "[ . 1 . 2]" 1 96 1 6 GLY HA3 1 37 TYR QE . . 4.720 3.781 3.620 3.885 . 0 0 "[ . 1 . 2]" 1 97 1 7 GLU H 1 7 GLU HB2 . . 3.510 1.978 1.950 2.010 . 0 0 "[ . 1 . 2]" 1 98 1 7 GLU H 1 7 GLU HB3 . . 3.240 2.882 2.805 2.989 . 0 0 "[ . 1 . 2]" 1 99 1 7 GLU H 1 7 GLU HG2 . . 3.860 3.935 3.910 3.958 0.098 11 0 "[ . 1 . 2]" 1 100 1 7 GLU H 1 7 GLU HG3 . . 4.310 4.087 3.987 4.192 . 0 0 "[ . 1 . 2]" 1 101 1 7 GLU H 1 8 LEU H . . 3.290 2.941 2.827 3.101 . 0 0 "[ . 1 . 2]" 1 102 1 7 GLU H 1 8 LEU HB2 . . 5.480 5.326 5.166 5.484 0.004 2 0 "[ . 1 . 2]" 1 103 1 7 GLU H 1 8 LEU HG . . 4.950 4.170 3.997 4.410 . 0 0 "[ . 1 . 2]" 1 104 1 7 GLU H 1 26 VAL MG1 . . 5.310 4.863 4.649 5.006 . 0 0 "[ . 1 . 2]" 1 105 1 7 GLU H 1 26 VAL QG . . 5.500 4.735 4.542 4.869 . 0 0 "[ . 1 . 2]" 1 106 1 7 GLU H 1 37 TYR QE . . 4.330 2.617 2.417 2.719 . 0 0 "[ . 1 . 2]" 1 107 1 7 GLU HA 1 7 GLU HG3 . . 3.530 3.499 3.402 3.558 0.028 6 0 "[ . 1 . 2]" 1 108 1 7 GLU HA 1 9 ARG H . . 4.960 4.878 4.737 4.984 0.024 1 0 "[ . 1 . 2]" 1 109 1 7 GLU HA 1 10 VAL H . . 4.490 4.020 3.837 4.150 . 0 0 "[ . 1 . 2]" 1 110 1 7 GLU HA 1 10 VAL HB . . 3.830 3.152 2.945 3.320 . 0 0 "[ . 1 . 2]" 1 111 1 7 GLU HA 1 10 VAL MG1 . . 4.640 4.275 4.037 4.443 . 0 0 "[ . 1 . 2]" 1 112 1 7 GLU HA 1 10 VAL MG2 . . 4.370 3.931 3.634 4.103 . 0 0 "[ . 1 . 2]" 1 113 1 7 GLU HA 1 11 THR H . . 4.520 4.107 3.957 4.312 . 0 0 "[ . 1 . 2]" 1 114 1 7 GLU HA 1 26 VAL HB . . 4.490 4.001 3.729 4.341 . 0 0 "[ . 1 . 2]" 1 115 1 7 GLU HA 1 26 VAL MG1 . . 3.510 2.593 2.404 2.750 . 0 0 "[ . 1 . 2]" 1 116 1 7 GLU HA 1 37 TYR QD . . 4.550 3.207 3.011 3.481 . 0 0 "[ . 1 . 2]" 1 117 1 7 GLU HA 1 37 TYR QE . . 3.520 2.897 2.552 3.166 . 0 0 "[ . 1 . 2]" 1 118 1 7 GLU HB2 1 8 LEU H . . 3.740 3.442 3.339 3.607 . 0 0 "[ . 1 . 2]" 1 119 1 7 GLU HB2 1 37 TYR QD . . 4.140 3.891 3.732 4.032 . 0 0 "[ . 1 . 2]" 1 120 1 7 GLU HB2 1 37 TYR QE . . 4.110 2.399 2.270 2.578 . 0 0 "[ . 1 . 2]" 1 121 1 7 GLU HB3 1 7 GLU HG3 . . 2.920 2.642 2.557 2.720 . 0 0 "[ . 1 . 2]" 1 122 1 7 GLU HB3 1 8 LEU H . . 3.560 2.477 2.339 2.617 . 0 0 "[ . 1 . 2]" 1 123 1 7 GLU HB3 1 26 VAL QG . . 5.070 4.383 4.264 4.479 . 0 0 "[ . 1 . 2]" 1 124 1 7 GLU HB3 1 28 ASP H . . 5.110 4.919 4.595 5.119 0.009 3 0 "[ . 1 . 2]" 1 125 1 7 GLU HB3 1 37 TYR QD . . 4.980 5.015 4.995 5.045 0.065 2 0 "[ . 1 . 2]" 1 126 1 7 GLU HB3 1 37 TYR QE . . 4.980 4.006 3.868 4.162 . 0 0 "[ . 1 . 2]" 1 127 1 7 GLU HG2 1 8 LEU H . . 5.180 4.788 4.724 4.878 . 0 0 "[ . 1 . 2]" 1 128 1 7 GLU HG2 1 8 LEU QD . . 5.500 4.837 4.611 5.140 . 0 0 "[ . 1 . 2]" 1 129 1 7 GLU HG2 1 26 VAL QG . . 4.650 2.270 2.131 2.512 . 0 0 "[ . 1 . 2]" 1 130 1 7 GLU HG2 1 27 THR HA . . 4.950 3.492 3.257 3.681 . 0 0 "[ . 1 . 2]" 1 131 1 7 GLU HG2 1 27 THR MG . . 5.480 5.066 4.714 5.272 . 0 0 "[ . 1 . 2]" 1 132 1 7 GLU HG2 1 28 ASP H . . 4.520 3.054 2.515 3.350 . 0 0 "[ . 1 . 2]" 1 133 1 7 GLU HG2 1 28 ASP HA . . 4.660 4.062 3.592 4.335 . 0 0 "[ . 1 . 2]" 1 134 1 7 GLU HG2 1 28 ASP HB3 . . 4.130 4.035 3.641 4.170 0.040 8 0 "[ . 1 . 2]" 1 135 1 7 GLU HG2 1 37 TYR QD . . 4.370 2.481 2.307 2.714 . 0 0 "[ . 1 . 2]" 1 136 1 7 GLU HG2 1 37 TYR QE . . 3.750 3.043 2.665 3.391 . 0 0 "[ . 1 . 2]" 1 137 1 7 GLU HG3 1 26 VAL MG1 . . 4.490 3.711 3.479 3.977 . 0 0 "[ . 1 . 2]" 1 138 1 7 GLU HG3 1 27 THR HA . . 4.280 3.388 3.140 3.682 . 0 0 "[ . 1 . 2]" 1 139 1 7 GLU HG3 1 28 ASP H . . 4.110 2.298 2.042 2.518 . 0 0 "[ . 1 . 2]" 1 140 1 7 GLU HG3 1 37 TYR QD . . 4.500 3.465 3.129 3.856 . 0 0 "[ . 1 . 2]" 1 141 1 7 GLU HG3 1 37 TYR QE . . 3.820 3.320 3.032 3.642 . 0 0 "[ . 1 . 2]" 1 142 1 8 LEU H 1 8 LEU HB2 . . 3.090 2.694 2.557 2.765 . 0 0 "[ . 1 . 2]" 1 143 1 8 LEU H 1 8 LEU HB3 . . 3.520 3.550 3.538 3.559 0.039 9 0 "[ . 1 . 2]" 1 144 1 8 LEU H 1 8 LEU QD . . 3.820 2.628 2.514 2.812 . 0 0 "[ . 1 . 2]" 1 145 1 8 LEU H 1 8 LEU MD2 . . 4.060 2.709 2.567 2.975 . 0 0 "[ . 1 . 2]" 1 146 1 8 LEU H 1 8 LEU HG . . 3.140 1.881 1.828 1.930 . 0 0 "[ . 1 . 2]" 1 147 1 8 LEU H 1 11 THR H . . 5.000 4.631 4.566 4.707 . 0 0 "[ . 1 . 2]" 1 148 1 8 LEU HA 1 8 LEU QD . . 3.050 2.324 2.198 2.385 . 0 0 "[ . 1 . 2]" 1 149 1 8 LEU HA 1 8 LEU HG . . 3.970 3.431 3.248 3.520 . 0 0 "[ . 1 . 2]" 1 150 1 8 LEU HA 1 11 THR H . . 3.840 3.597 3.454 3.682 . 0 0 "[ . 1 . 2]" 1 151 1 8 LEU HA 1 11 THR HB . . 4.740 2.700 2.466 2.851 . 0 0 "[ . 1 . 2]" 1 152 1 8 LEU HA 1 11 THR MG . . 4.210 3.990 3.704 4.142 . 0 0 "[ . 1 . 2]" 1 153 1 8 LEU HA 1 12 GLN H . . 4.360 4.134 3.898 4.293 . 0 0 "[ . 1 . 2]" 1 154 1 8 LEU HA 1 12 GLN QE . . 4.990 2.942 2.633 3.397 . 0 0 "[ . 1 . 2]" 1 155 1 8 LEU HB2 1 9 ARG H . . 3.510 2.269 2.190 2.354 . 0 0 "[ . 1 . 2]" 1 156 1 8 LEU HB2 1 10 VAL H . . 4.870 4.900 4.887 4.921 0.051 14 0 "[ . 1 . 2]" 1 157 1 8 LEU QD 1 9 ARG H . . 4.590 3.808 3.771 3.865 . 0 0 "[ . 1 . 2]" 1 158 1 8 LEU QD 1 11 THR H . . 5.060 5.006 4.978 5.024 . 0 0 "[ . 1 . 2]" 1 159 1 8 LEU QD 1 11 THR HB . . 5.500 4.260 4.090 4.382 . 0 0 "[ . 1 . 2]" 1 160 1 8 LEU MD2 1 9 ARG H . . 4.940 4.421 4.376 4.473 . 0 0 "[ . 1 . 2]" 1 161 1 8 LEU MD2 1 11 THR H . . 5.160 5.182 5.166 5.197 0.037 10 0 "[ . 1 . 2]" 1 162 1 8 LEU MD2 1 12 GLN QE . . 5.500 3.954 3.508 4.304 . 0 0 "[ . 1 . 2]" 1 163 1 8 LEU HG 1 9 ARG H . . 3.600 3.678 3.639 3.754 0.154 20 0 "[ . 1 . 2]" 1 164 1 9 ARG H 1 9 ARG QB . . 2.800 2.169 2.011 2.202 . 0 0 "[ . 1 . 2]" 1 165 1 9 ARG H 1 9 ARG HD3 . . 5.110 4.756 4.437 5.355 0.245 1 0 "[ . 1 . 2]" 1 166 1 9 ARG H 1 9 ARG HG2 . . 4.430 4.461 4.428 4.505 0.075 10 0 "[ . 1 . 2]" 1 167 1 9 ARG H 1 9 ARG HG3 . . 4.640 4.437 4.327 4.461 . 0 0 "[ . 1 . 2]" 1 168 1 9 ARG H 1 10 VAL H . . 3.090 2.800 2.753 2.903 . 0 0 "[ . 1 . 2]" 1 169 1 9 ARG H 1 10 VAL HA . . 5.410 5.432 5.418 5.452 0.042 3 0 "[ . 1 . 2]" 1 170 1 9 ARG H 1 10 VAL MG2 . . 4.920 4.562 4.481 4.677 . 0 0 "[ . 1 . 2]" 1 171 1 9 ARG H 1 11 THR H . . 4.320 4.185 4.016 4.332 0.012 1 0 "[ . 1 . 2]" 1 172 1 9 ARG H 1 12 GLN H . . 4.650 4.686 4.666 4.707 0.057 5 0 "[ . 1 . 2]" 1 173 1 9 ARG HA 1 9 ARG HD2 . . 4.140 3.976 2.722 4.216 0.076 5 0 "[ . 1 . 2]" 1 174 1 9 ARG HA 1 9 ARG HD3 . . 4.480 3.368 2.998 4.329 . 0 0 "[ . 1 . 2]" 1 175 1 9 ARG HA 1 9 ARG HG2 . . 4.100 3.755 3.670 3.823 . 0 0 "[ . 1 . 2]" 1 176 1 9 ARG HA 1 11 THR H . . 4.800 4.674 4.408 4.804 0.004 3 0 "[ . 1 . 2]" 1 177 1 9 ARG HA 1 12 GLN H . . 3.890 3.582 3.372 3.859 . 0 0 "[ . 1 . 2]" 1 178 1 9 ARG HA 1 13 ILE H . . 4.910 4.500 4.285 4.694 . 0 0 "[ . 1 . 2]" 1 179 1 9 ARG QB 1 9 ARG HD2 . . 3.820 3.175 2.077 3.419 . 0 0 "[ . 1 . 2]" 1 180 1 9 ARG QB 1 9 ARG HD3 . . 3.790 2.340 2.113 3.214 . 0 0 "[ . 1 . 2]" 1 181 1 9 ARG QB 1 10 VAL H . . 3.250 2.412 2.166 2.524 . 0 0 "[ . 1 . 2]" 1 182 1 9 ARG QB 1 10 VAL MG2 . . 4.260 3.218 2.892 3.418 . 0 0 "[ . 1 . 2]" 1 183 1 9 ARG QB 1 11 THR H . . 4.900 4.691 4.476 4.789 . 0 0 "[ . 1 . 2]" 1 184 1 9 ARG HD2 1 65 GLU QG . . 4.080 3.044 2.286 4.142 0.062 10 0 "[ . 1 . 2]" 1 185 1 9 ARG HD3 1 13 ILE MD . . 5.470 4.603 3.840 5.451 . 0 0 "[ . 1 . 2]" 1 186 1 9 ARG HG2 1 10 VAL HA . . 4.180 4.164 3.871 4.335 0.155 10 0 "[ . 1 . 2]" 1 187 1 9 ARG HG3 1 10 VAL H . . 4.210 3.836 3.695 3.928 . 0 0 "[ . 1 . 2]" 1 188 1 9 ARG HG3 1 10 VAL HA . . 3.850 3.889 3.761 3.946 0.096 15 0 "[ . 1 . 2]" 1 189 1 9 ARG HG3 1 13 ILE H . . 4.840 4.633 4.353 4.875 0.035 5 0 "[ . 1 . 2]" 1 190 1 9 ARG HG3 1 13 ILE MD . . 4.370 2.930 2.410 3.368 . 0 0 "[ . 1 . 2]" 1 191 1 10 VAL H 1 10 VAL HB . . 2.990 2.376 2.328 2.435 . 0 0 "[ . 1 . 2]" 1 192 1 10 VAL H 1 10 VAL MG1 . . 4.000 3.764 3.734 3.790 . 0 0 "[ . 1 . 2]" 1 193 1 10 VAL H 1 10 VAL MG2 . . 3.140 2.408 2.316 2.497 . 0 0 "[ . 1 . 2]" 1 194 1 10 VAL H 1 11 THR H . . 2.990 2.660 2.609 2.719 . 0 0 "[ . 1 . 2]" 1 195 1 10 VAL H 1 11 THR HA . . 5.220 5.263 5.242 5.299 0.079 12 0 "[ . 1 . 2]" 1 196 1 10 VAL H 1 65 GLU QG . . 5.500 5.413 4.922 5.548 0.048 14 0 "[ . 1 . 2]" 1 197 1 10 VAL HA 1 10 VAL MG1 . . 3.260 2.553 2.477 2.606 . 0 0 "[ . 1 . 2]" 1 198 1 10 VAL HA 1 10 VAL MG2 . . 3.110 2.314 2.226 2.412 . 0 0 "[ . 1 . 2]" 1 199 1 10 VAL HA 1 13 ILE H . . 3.560 3.591 3.559 3.637 0.077 10 0 "[ . 1 . 2]" 1 200 1 10 VAL HA 1 13 ILE HB . . 3.800 3.467 3.209 3.806 0.006 10 0 "[ . 1 . 2]" 1 201 1 10 VAL HA 1 13 ILE MD . . 3.780 3.431 2.886 3.786 0.006 5 0 "[ . 1 . 2]" 1 202 1 10 VAL HA 1 13 ILE HG12 . . 5.500 5.495 5.333 5.532 0.032 5 0 "[ . 1 . 2]" 1 203 1 10 VAL HA 1 13 ILE HG13 . . 5.070 3.989 3.694 4.284 . 0 0 "[ . 1 . 2]" 1 204 1 10 VAL HA 1 14 LEU H . . 4.160 4.177 4.129 4.225 0.065 10 0 "[ . 1 . 2]" 1 205 1 10 VAL HA 1 14 LEU HG . . 4.600 4.159 4.060 4.382 . 0 0 "[ . 1 . 2]" 1 206 1 10 VAL HA 1 62 LEU MD2 . . 4.210 4.282 4.245 4.307 0.097 10 0 "[ . 1 . 2]" 1 207 1 10 VAL HB 1 11 THR H . . 3.410 2.639 2.462 2.806 . 0 0 "[ . 1 . 2]" 1 208 1 10 VAL MG1 1 11 THR H . . 4.080 3.231 3.032 3.377 . 0 0 "[ . 1 . 2]" 1 209 1 10 VAL MG1 1 11 THR HA . . 5.500 3.376 3.259 3.455 . 0 0 "[ . 1 . 2]" 1 210 1 10 VAL MG1 1 11 THR HB . . 5.120 5.097 4.944 5.130 0.010 6 0 "[ . 1 . 2]" 1 211 1 10 VAL MG1 1 14 LEU H . . 4.950 4.052 3.936 4.169 . 0 0 "[ . 1 . 2]" 1 212 1 10 VAL MG1 1 14 LEU HB2 . . 4.640 4.099 3.974 4.185 . 0 0 "[ . 1 . 2]" 1 213 1 10 VAL MG1 1 14 LEU MD1 . . 3.130 2.409 2.137 2.651 . 0 0 "[ . 1 . 2]" 1 214 1 10 VAL MG1 1 14 LEU HG . . 4.210 2.636 2.487 2.928 . 0 0 "[ . 1 . 2]" 1 215 1 10 VAL MG1 1 26 VAL HB . . 4.910 4.337 4.094 4.540 . 0 0 "[ . 1 . 2]" 1 216 1 10 VAL MG1 1 37 TYR QD . . 4.940 4.483 4.067 4.912 . 0 0 "[ . 1 . 2]" 1 217 1 10 VAL MG1 1 37 TYR QE . . 5.500 5.188 4.726 5.499 . 0 0 "[ . 1 . 2]" 1 218 1 10 VAL MG1 1 62 LEU H . . 5.500 5.027 4.848 5.230 . 0 0 "[ . 1 . 2]" 1 219 1 10 VAL MG1 1 62 LEU HA . . 5.500 4.948 4.622 5.466 . 0 0 "[ . 1 . 2]" 1 220 1 10 VAL MG1 1 62 LEU QB . . 3.280 2.713 2.367 3.245 . 0 0 "[ . 1 . 2]" 1 221 1 10 VAL MG2 1 11 THR H . . 4.260 4.013 3.936 4.088 . 0 0 "[ . 1 . 2]" 1 222 1 10 VAL MG2 1 12 GLN H . . 5.500 5.501 5.429 5.520 0.020 3 0 "[ . 1 . 2]" 1 223 1 10 VAL MG2 1 14 LEU HG . . 5.500 4.867 4.735 5.143 . 0 0 "[ . 1 . 2]" 1 224 1 10 VAL MG2 1 37 TYR QD . . 4.570 4.086 3.733 4.436 . 0 0 "[ . 1 . 2]" 1 225 1 10 VAL MG2 1 37 TYR QE . . 4.140 3.996 3.467 4.180 0.040 20 0 "[ . 1 . 2]" 1 226 1 10 VAL MG2 1 65 GLU QG . . 4.010 4.138 3.337 4.538 0.528 4 1 "[ +. 1 . 2]" 1 227 1 10 VAL MG2 1 66 ILE HB . . 3.910 3.532 3.289 3.844 . 0 0 "[ . 1 . 2]" 1 228 1 10 VAL MG2 1 66 ILE MD . . 3.660 2.942 2.360 3.663 0.003 1 0 "[ . 1 . 2]" 1 229 1 10 VAL MG2 1 66 ILE MG . . 4.170 4.101 3.839 4.196 0.026 10 0 "[ . 1 . 2]" 1 230 1 11 THR H 1 11 THR HB . . 3.280 2.571 2.434 2.658 . 0 0 "[ . 1 . 2]" 1 231 1 11 THR H 1 11 THR MG . . 3.970 3.814 3.774 3.831 . 0 0 "[ . 1 . 2]" 1 232 1 11 THR H 1 12 GLN H . . 3.720 2.834 2.652 2.917 . 0 0 "[ . 1 . 2]" 1 233 1 11 THR H 1 12 GLN QE . . 5.500 4.244 3.933 4.966 . 0 0 "[ . 1 . 2]" 1 234 1 11 THR H 1 14 LEU MD1 . . 4.740 4.341 3.936 4.630 . 0 0 "[ . 1 . 2]" 1 235 1 11 THR H 1 26 VAL HB . . 4.510 4.378 4.098 4.527 0.017 10 0 "[ . 1 . 2]" 1 236 1 11 THR H 1 26 VAL MG2 . . 3.970 3.018 2.801 3.246 . 0 0 "[ . 1 . 2]" 1 237 1 11 THR HA 1 11 THR MG . . 3.040 2.442 2.378 2.516 . 0 0 "[ . 1 . 2]" 1 238 1 11 THR HA 1 12 GLN H . . 3.470 3.543 3.516 3.564 0.094 7 0 "[ . 1 . 2]" 1 239 1 11 THR HA 1 12 GLN HA . . 5.250 4.802 4.736 4.852 . 0 0 "[ . 1 . 2]" 1 240 1 11 THR HA 1 13 ILE H . . 5.500 4.483 4.256 4.676 . 0 0 "[ . 1 . 2]" 1 241 1 11 THR HA 1 14 LEU H . . 5.250 3.500 3.305 3.738 . 0 0 "[ . 1 . 2]" 1 242 1 11 THR HA 1 14 LEU MD1 . . 4.750 2.517 2.217 2.695 . 0 0 "[ . 1 . 2]" 1 243 1 11 THR HA 1 15 LYS H . . 5.500 4.332 4.118 4.578 . 0 0 "[ . 1 . 2]" 1 244 1 11 THR HA 1 15 LYS QE . . 4.580 4.455 4.038 4.611 0.031 12 0 "[ . 1 . 2]" 1 245 1 11 THR HA 1 26 VAL QG . . 5.000 2.407 2.280 2.516 . 0 0 "[ . 1 . 2]" 1 246 1 11 THR HA 1 26 VAL MG2 . . 4.640 2.418 2.289 2.527 . 0 0 "[ . 1 . 2]" 1 247 1 11 THR HB 1 12 GLN H . . 3.870 2.709 2.541 2.837 . 0 0 "[ . 1 . 2]" 1 248 1 11 THR HB 1 14 LEU HB2 . . 5.130 5.174 5.144 5.208 0.078 4 0 "[ . 1 . 2]" 1 249 1 11 THR HB 1 26 VAL MG2 . . 3.730 3.787 3.764 3.807 0.077 16 0 "[ . 1 . 2]" 1 250 1 11 THR MG 1 12 GLN H . . 4.060 3.563 3.353 3.756 . 0 0 "[ . 1 . 2]" 1 251 1 11 THR MG 1 12 GLN HA . . 4.300 3.563 3.323 3.783 . 0 0 "[ . 1 . 2]" 1 252 1 11 THR MG 1 12 GLN QE . . 5.250 2.808 2.407 3.742 . 0 0 "[ . 1 . 2]" 1 253 1 11 THR MG 1 14 LEU HB2 . . 4.360 3.610 3.449 3.777 . 0 0 "[ . 1 . 2]" 1 254 1 11 THR MG 1 15 LYS H . . 4.540 4.201 3.889 4.480 . 0 0 "[ . 1 . 2]" 1 255 1 11 THR MG 1 15 LYS QE . . 4.170 2.037 1.832 2.292 . 0 0 "[ . 1 . 2]" 1 256 1 11 THR MG 1 15 LYS HG2 . . 3.730 3.539 3.246 3.735 0.005 12 0 "[ . 1 . 2]" 1 257 1 11 THR MG 1 25 LYS HA . . 5.390 3.668 3.185 4.197 . 0 0 "[ . 1 . 2]" 1 258 1 11 THR MG 1 26 VAL H . . 5.500 4.059 3.794 4.434 . 0 0 "[ . 1 . 2]" 1 259 1 11 THR MG 1 26 VAL QG . . 4.520 2.825 2.580 3.035 . 0 0 "[ . 1 . 2]" 1 260 1 12 GLN H 1 12 GLN HB2 . . 3.090 2.430 2.148 2.640 . 0 0 "[ . 1 . 2]" 1 261 1 12 GLN H 1 12 GLN HB3 . . 3.570 3.575 3.455 3.631 0.061 1 0 "[ . 1 . 2]" 1 262 1 12 GLN H 1 12 GLN HG2 . . 5.090 3.188 2.668 4.348 . 0 0 "[ . 1 . 2]" 1 263 1 12 GLN H 1 12 GLN HG3 . . 3.980 3.925 2.935 4.037 0.057 8 0 "[ . 1 . 2]" 1 264 1 12 GLN H 1 13 ILE H . . 2.870 2.827 2.748 2.879 0.009 18 0 "[ . 1 . 2]" 1 265 1 12 GLN HA 1 12 GLN HB3 . . 2.980 2.548 2.429 2.742 . 0 0 "[ . 1 . 2]" 1 266 1 12 GLN HA 1 12 GLN HG2 . . 3.780 3.538 2.761 3.627 . 0 0 "[ . 1 . 2]" 1 267 1 12 GLN HA 1 12 GLN HG3 . . 3.780 3.188 2.164 3.676 . 0 0 "[ . 1 . 2]" 1 268 1 12 GLN HA 1 13 ILE HG13 . . 5.370 5.217 4.967 5.366 . 0 0 "[ . 1 . 2]" 1 269 1 12 GLN HA 1 15 LYS QE . . 4.580 3.305 2.021 4.206 . 0 0 "[ . 1 . 2]" 1 270 1 12 GLN HB2 1 12 GLN HG3 . . 2.760 2.726 2.591 2.931 0.171 15 0 "[ . 1 . 2]" 1 271 1 12 GLN HB2 1 13 ILE H . . 3.780 2.802 2.549 3.209 . 0 0 "[ . 1 . 2]" 1 272 1 12 GLN HB3 1 13 ILE H . . 3.530 3.524 3.338 3.578 0.048 14 0 "[ . 1 . 2]" 1 273 1 12 GLN HB3 1 13 ILE HG13 . . 5.070 3.986 3.545 4.219 . 0 0 "[ . 1 . 2]" 1 274 1 12 GLN QE 1 15 LYS QE . . 5.270 3.248 2.574 4.913 . 0 0 "[ . 1 . 2]" 1 275 1 12 GLN HG2 1 13 ILE H . . 5.350 4.807 4.444 5.384 0.034 12 0 "[ . 1 . 2]" 1 276 1 12 GLN HG3 1 13 ILE H . . 5.250 5.146 4.902 5.252 0.002 8 0 "[ . 1 . 2]" 1 277 1 13 ILE H 1 13 ILE HB . . 3.460 2.625 2.495 2.729 . 0 0 "[ . 1 . 2]" 1 278 1 13 ILE H 1 13 ILE MD . . 3.760 3.620 3.297 3.768 0.008 15 0 "[ . 1 . 2]" 1 279 1 13 ILE H 1 13 ILE HG12 . . 3.770 3.465 3.226 3.773 0.003 12 0 "[ . 1 . 2]" 1 280 1 13 ILE H 1 13 ILE HG13 . . 2.930 2.222 2.079 2.456 . 0 0 "[ . 1 . 2]" 1 281 1 13 ILE H 1 13 ILE MG . . 3.950 3.837 3.789 3.878 . 0 0 "[ . 1 . 2]" 1 282 1 13 ILE H 1 14 LEU H . . 3.310 2.504 2.428 2.553 . 0 0 "[ . 1 . 2]" 1 283 1 13 ILE H 1 14 LEU HA . . 5.500 5.185 5.103 5.237 . 0 0 "[ . 1 . 2]" 1 284 1 13 ILE H 1 14 LEU HG . . 4.520 4.544 4.525 4.565 0.045 6 0 "[ . 1 . 2]" 1 285 1 13 ILE H 1 15 LYS H . . 4.550 4.229 4.100 4.376 . 0 0 "[ . 1 . 2]" 1 286 1 13 ILE HA 1 13 ILE MD . . 3.920 3.910 3.828 3.947 0.027 6 0 "[ . 1 . 2]" 1 287 1 13 ILE HA 1 13 ILE HG12 . . 3.310 2.650 2.509 2.763 . 0 0 "[ . 1 . 2]" 1 288 1 13 ILE HA 1 13 ILE HG13 . . 3.320 3.123 2.932 3.303 . 0 0 "[ . 1 . 2]" 1 289 1 13 ILE HA 1 13 ILE MG . . 3.070 2.262 2.209 2.323 . 0 0 "[ . 1 . 2]" 1 290 1 13 ILE HA 1 16 GLU H . . 3.790 3.283 3.131 3.503 . 0 0 "[ . 1 . 2]" 1 291 1 13 ILE HA 1 16 GLU HB2 . . 4.040 2.650 2.419 2.824 . 0 0 "[ . 1 . 2]" 1 292 1 13 ILE HA 1 16 GLU HB3 . . 4.400 4.008 3.776 4.105 . 0 0 "[ . 1 . 2]" 1 293 1 13 ILE HA 1 16 GLU HG2 . . 5.040 4.773 3.588 5.054 0.014 15 0 "[ . 1 . 2]" 1 294 1 13 ILE HA 1 16 GLU HG3 . . 4.960 3.766 3.458 4.999 0.039 1 0 "[ . 1 . 2]" 1 295 1 13 ILE HA 1 17 LYS H . . 5.080 4.155 3.980 4.344 . 0 0 "[ . 1 . 2]" 1 296 1 13 ILE HB 1 13 ILE MD . . 3.360 2.394 2.278 2.474 . 0 0 "[ . 1 . 2]" 1 297 1 13 ILE HB 1 13 ILE HG13 . . 2.580 2.520 2.441 2.611 0.031 4 0 "[ . 1 . 2]" 1 298 1 13 ILE HB 1 14 LEU H . . 3.320 2.959 2.853 3.007 . 0 0 "[ . 1 . 2]" 1 299 1 13 ILE MD 1 62 LEU HA . . 3.070 3.034 2.814 3.095 0.025 16 0 "[ . 1 . 2]" 1 300 1 13 ILE MD 1 64 GLU H . . 5.500 5.206 4.854 5.510 0.010 6 0 "[ . 1 . 2]" 1 301 1 13 ILE MD 1 65 GLU H . . 5.050 4.541 4.314 5.047 . 0 0 "[ . 1 . 2]" 1 302 1 13 ILE MD 1 65 GLU QG . . 3.550 2.083 1.960 2.303 . 0 0 "[ . 1 . 2]" 1 303 1 13 ILE HG13 1 13 ILE MG . . 3.410 3.237 3.202 3.258 . 0 0 "[ . 1 . 2]" 1 304 1 13 ILE MG 1 14 LEU H . . 3.810 3.793 3.696 3.834 0.024 1 0 "[ . 1 . 2]" 1 305 1 13 ILE MG 1 16 GLU H . . 4.820 4.157 4.022 4.392 . 0 0 "[ . 1 . 2]" 1 306 1 13 ILE MG 1 16 GLU HG2 . . 5.390 5.290 4.359 5.410 0.020 2 0 "[ . 1 . 2]" 1 307 1 13 ILE MG 1 17 LYS H . . 4.770 3.573 3.462 3.802 . 0 0 "[ . 1 . 2]" 1 308 1 13 ILE MG 1 17 LYS HE2 . . 3.910 2.650 2.012 3.852 . 0 0 "[ . 1 . 2]" 1 309 1 13 ILE MG 1 17 LYS HG2 . . 5.270 2.320 2.115 2.865 . 0 0 "[ . 1 . 2]" 1 310 1 13 ILE MG 1 17 LYS HG3 . . 4.430 3.263 3.029 3.552 . 0 0 "[ . 1 . 2]" 1 311 1 13 ILE MG 1 61 ALA HA . . 4.180 3.421 3.084 3.731 . 0 0 "[ . 1 . 2]" 1 312 1 13 ILE MG 1 61 ALA MB . . 3.840 2.870 2.586 3.333 . 0 0 "[ . 1 . 2]" 1 313 1 13 ILE MG 1 62 LEU HA . . 3.960 3.607 3.014 3.898 . 0 0 "[ . 1 . 2]" 1 314 1 14 LEU H 1 14 LEU HB2 . . 3.150 2.374 2.316 2.446 . 0 0 "[ . 1 . 2]" 1 315 1 14 LEU H 1 14 LEU HB3 . . 3.720 3.573 3.543 3.609 . 0 0 "[ . 1 . 2]" 1 316 1 14 LEU H 1 14 LEU MD1 . . 3.870 3.762 3.550 3.885 0.015 12 0 "[ . 1 . 2]" 1 317 1 14 LEU H 1 14 LEU MD2 . . 3.910 3.446 3.215 3.664 . 0 0 "[ . 1 . 2]" 1 318 1 14 LEU H 1 14 LEU HG . . 3.160 2.506 2.416 2.589 . 0 0 "[ . 1 . 2]" 1 319 1 14 LEU H 1 15 LYS H . . 3.380 2.902 2.815 3.010 . 0 0 "[ . 1 . 2]" 1 320 1 14 LEU H 1 16 GLU H . . 4.710 4.326 4.133 4.513 . 0 0 "[ . 1 . 2]" 1 321 1 14 LEU HA 1 14 LEU MD2 . . 3.100 2.058 2.036 2.075 . 0 0 "[ . 1 . 2]" 1 322 1 14 LEU HA 1 16 GLU H . . 4.450 4.065 3.916 4.237 . 0 0 "[ . 1 . 2]" 1 323 1 14 LEU HA 1 17 LYS H . . 3.920 3.327 3.178 3.490 . 0 0 "[ . 1 . 2]" 1 324 1 14 LEU HA 1 17 LYS HB2 . . 3.580 3.160 2.923 3.361 . 0 0 "[ . 1 . 2]" 1 325 1 14 LEU HA 1 18 PHE H . . 4.360 3.718 3.482 3.956 . 0 0 "[ . 1 . 2]" 1 326 1 14 LEU HA 1 18 PHE QD . . 3.330 2.661 2.534 2.998 . 0 0 "[ . 1 . 2]" 1 327 1 14 LEU HA 1 18 PHE QE . . 4.080 3.768 3.532 4.040 . 0 0 "[ . 1 . 2]" 1 328 1 14 LEU HA 1 41 ILE MD . . 5.500 4.041 3.864 4.363 . 0 0 "[ . 1 . 2]" 1 329 1 14 LEU HA 1 58 VAL MG1 . . 5.070 4.912 4.688 5.079 0.009 2 0 "[ . 1 . 2]" 1 330 1 14 LEU HA 1 61 ALA MB . . 3.790 3.210 2.706 3.543 . 0 0 "[ . 1 . 2]" 1 331 1 14 LEU HB2 1 14 LEU MD1 . . 3.620 2.321 2.272 2.386 . 0 0 "[ . 1 . 2]" 1 332 1 14 LEU HB2 1 14 LEU MD2 . . 3.530 3.270 3.236 3.277 . 0 0 "[ . 1 . 2]" 1 333 1 14 LEU HB2 1 15 LYS H . . 3.230 2.827 2.743 2.904 . 0 0 "[ . 1 . 2]" 1 334 1 14 LEU HB2 1 18 PHE QD . . 5.100 4.875 4.683 5.043 . 0 0 "[ . 1 . 2]" 1 335 1 14 LEU HB2 1 26 VAL MG2 . . 3.680 3.699 3.599 3.728 0.048 10 0 "[ . 1 . 2]" 1 336 1 14 LEU HB2 1 41 ILE MD . . 5.260 4.524 4.353 4.843 . 0 0 "[ . 1 . 2]" 1 337 1 14 LEU HB3 1 15 LYS H . . 3.420 3.478 3.452 3.496 0.076 19 0 "[ . 1 . 2]" 1 338 1 14 LEU HB3 1 18 PHE QD . . 3.840 3.459 3.238 3.721 . 0 0 "[ . 1 . 2]" 1 339 1 14 LEU MD1 1 15 LYS H . . 5.270 4.717 4.671 4.763 . 0 0 "[ . 1 . 2]" 1 340 1 14 LEU MD1 1 39 ILE MG . . 2.400 2.129 2.031 2.303 . 0 0 "[ . 1 . 2]" 1 341 1 14 LEU MD2 1 15 LYS H . . 5.320 4.756 4.706 4.795 . 0 0 "[ . 1 . 2]" 1 342 1 14 LEU MD2 1 17 LYS H . . 5.350 4.634 4.479 4.808 . 0 0 "[ . 1 . 2]" 1 343 1 14 LEU MD2 1 18 PHE H . . 4.970 4.710 4.531 4.970 0.000 18 0 "[ . 1 . 2]" 1 344 1 14 LEU MD2 1 18 PHE QD . . 3.340 2.504 2.314 2.790 . 0 0 "[ . 1 . 2]" 1 345 1 14 LEU MD2 1 18 PHE QE . . 3.210 2.587 2.411 2.841 . 0 0 "[ . 1 . 2]" 1 346 1 14 LEU MD2 1 18 PHE HZ . . 4.920 4.547 4.368 4.831 . 0 0 "[ . 1 . 2]" 1 347 1 14 LEU MD2 1 41 ILE MD . . 3.750 2.043 1.976 2.166 . 0 0 "[ . 1 . 2]" 1 348 1 14 LEU MD2 1 58 VAL MG1 . . 3.560 2.281 2.111 2.456 . 0 0 "[ . 1 . 2]" 1 349 1 14 LEU MD2 1 61 ALA MB . . 3.700 2.245 2.032 2.568 . 0 0 "[ . 1 . 2]" 1 350 1 14 LEU HG 1 15 LYS H . . 4.660 4.687 4.652 4.710 0.050 1 0 "[ . 1 . 2]" 1 351 1 14 LEU HG 1 41 ILE MD . . 5.500 4.292 4.048 4.589 . 0 0 "[ . 1 . 2]" 1 352 1 15 LYS H 1 15 LYS HB2 . . 2.770 2.760 2.690 2.809 0.039 1 0 "[ . 1 . 2]" 1 353 1 15 LYS H 1 15 LYS QB . . 3.260 2.685 2.627 2.726 . 0 0 "[ . 1 . 2]" 1 354 1 15 LYS H 1 15 LYS HD2 . . 4.720 4.546 4.409 4.713 . 0 0 "[ . 1 . 2]" 1 355 1 15 LYS H 1 15 LYS HD3 . . 4.780 4.723 4.663 4.791 0.011 15 0 "[ . 1 . 2]" 1 356 1 15 LYS H 1 15 LYS QE . . 3.990 4.009 3.905 4.059 0.069 8 0 "[ . 1 . 2]" 1 357 1 15 LYS H 1 15 LYS HG2 . . 3.500 2.570 2.439 2.725 . 0 0 "[ . 1 . 2]" 1 358 1 15 LYS H 1 15 LYS HG3 . . 4.330 2.235 2.080 2.438 . 0 0 "[ . 1 . 2]" 1 359 1 15 LYS H 1 16 GLU H . . 3.230 2.855 2.777 2.930 . 0 0 "[ . 1 . 2]" 1 360 1 15 LYS H 1 16 GLU HA . . 5.360 5.419 5.394 5.449 0.089 8 0 "[ . 1 . 2]" 1 361 1 15 LYS H 1 17 LYS H . . 4.840 4.430 4.290 4.554 . 0 0 "[ . 1 . 2]" 1 362 1 15 LYS H 1 18 PHE H . . 5.060 4.762 4.703 4.845 . 0 0 "[ . 1 . 2]" 1 363 1 15 LYS H 1 24 ILE MG . . 4.890 4.635 4.359 4.899 0.009 10 0 "[ . 1 . 2]" 1 364 1 15 LYS HA 1 15 LYS QB . . 2.710 2.296 2.263 2.331 . 0 0 "[ . 1 . 2]" 1 365 1 15 LYS HA 1 15 LYS HB3 . . 2.750 2.379 2.341 2.420 . 0 0 "[ . 1 . 2]" 1 366 1 15 LYS HA 1 15 LYS HD2 . . 4.500 4.488 4.372 4.539 0.039 14 0 "[ . 1 . 2]" 1 367 1 15 LYS HA 1 15 LYS HG2 . . 3.220 2.375 2.255 2.576 . 0 0 "[ . 1 . 2]" 1 368 1 15 LYS HA 1 15 LYS HG3 . . 3.360 3.426 3.403 3.460 0.100 3 0 "[ . 1 . 2]" 1 369 1 15 LYS HA 1 17 LYS H . . 4.850 4.814 4.477 4.878 0.028 1 0 "[ . 1 . 2]" 1 370 1 15 LYS HA 1 18 PHE H . . 4.070 3.806 3.425 3.964 . 0 0 "[ . 1 . 2]" 1 371 1 15 LYS HA 1 18 PHE HB2 . . 4.580 4.250 3.755 4.513 . 0 0 "[ . 1 . 2]" 1 372 1 15 LYS HA 1 18 PHE QD . . 5.360 5.189 4.816 5.391 0.031 4 0 "[ . 1 . 2]" 1 373 1 15 LYS HA 1 24 ILE MD . . 3.290 2.512 2.154 2.919 . 0 0 "[ . 1 . 2]" 1 374 1 15 LYS QB 1 16 GLU H . . 3.660 2.978 2.616 3.289 . 0 0 "[ . 1 . 2]" 1 375 1 15 LYS QB 1 24 ILE MD . . 4.460 3.355 3.120 3.677 . 0 0 "[ . 1 . 2]" 1 376 1 15 LYS HB2 1 16 GLU H . . 3.390 3.062 2.661 3.414 0.024 15 0 "[ . 1 . 2]" 1 377 1 15 LYS HB2 1 16 GLU HA . . 4.940 4.406 4.111 4.777 . 0 0 "[ . 1 . 2]" 1 378 1 15 LYS HD2 1 15 LYS HG3 . . 2.720 2.505 2.437 2.550 . 0 0 "[ . 1 . 2]" 1 379 1 15 LYS HD2 1 24 ILE MD . . 5.500 4.208 3.565 4.778 . 0 0 "[ . 1 . 2]" 1 380 1 15 LYS HD3 1 24 ILE MD . . 4.920 2.913 2.181 3.705 . 0 0 "[ . 1 . 2]" 1 381 1 15 LYS QE 1 15 LYS HG2 . . 3.370 2.375 2.208 2.677 . 0 0 "[ . 1 . 2]" 1 382 1 15 LYS HG2 1 16 GLU H . . 4.640 4.723 4.685 4.773 0.133 15 0 "[ . 1 . 2]" 1 383 1 15 LYS HG3 1 16 GLU H . . 5.500 4.366 3.920 4.647 . 0 0 "[ . 1 . 2]" 1 384 1 15 LYS HG3 1 24 ILE MD . . 4.460 3.842 3.593 4.271 . 0 0 "[ . 1 . 2]" 1 385 1 16 GLU H 1 16 GLU HB2 . . 2.900 1.864 1.752 1.914 . 0 0 "[ . 1 . 2]" 1 386 1 16 GLU H 1 16 GLU HB3 . . 3.590 3.180 3.101 3.212 . 0 0 "[ . 1 . 2]" 1 387 1 16 GLU H 1 16 GLU HG2 . . 3.690 3.657 3.436 3.764 0.074 15 0 "[ . 1 . 2]" 1 388 1 16 GLU H 1 16 GLU HG3 . . 3.990 2.739 2.508 4.027 0.037 1 0 "[ . 1 . 2]" 1 389 1 16 GLU H 1 17 LYS H . . 3.190 2.441 2.343 2.516 . 0 0 "[ . 1 . 2]" 1 390 1 16 GLU H 1 18 PHE H . . 4.290 3.605 3.397 3.771 . 0 0 "[ . 1 . 2]" 1 391 1 16 GLU HA 1 16 GLU HB3 . . 2.720 2.621 2.556 2.713 . 0 0 "[ . 1 . 2]" 1 392 1 16 GLU HA 1 16 GLU HG2 . . 3.690 2.504 2.176 3.714 0.024 1 0 "[ . 1 . 2]" 1 393 1 16 GLU HA 1 16 GLU HG3 . . 2.960 2.950 2.849 3.010 0.050 6 0 "[ . 1 . 2]" 1 394 1 16 GLU HA 1 18 PHE H . . 4.510 4.145 4.000 4.424 . 0 0 "[ . 1 . 2]" 1 395 1 16 GLU HA 1 19 PRO HD2 . . 4.130 4.255 4.224 4.289 0.159 7 0 "[ . 1 . 2]" 1 396 1 16 GLU HA 1 19 PRO HD3 . . 5.150 2.767 2.692 2.907 . 0 0 "[ . 1 . 2]" 1 397 1 16 GLU HB2 1 17 LYS H . . 3.550 2.594 2.466 2.740 . 0 0 "[ . 1 . 2]" 1 398 1 16 GLU HB2 1 17 LYS HG2 . . 4.290 3.866 3.696 4.098 . 0 0 "[ . 1 . 2]" 1 399 1 16 GLU HB2 1 18 PHE H . . 5.120 4.620 4.491 4.852 . 0 0 "[ . 1 . 2]" 1 400 1 16 GLU HB3 1 16 GLU HG2 . . 2.690 2.456 2.354 2.608 . 0 0 "[ . 1 . 2]" 1 401 1 16 GLU HB3 1 17 LYS H . . 3.820 3.231 2.967 3.380 . 0 0 "[ . 1 . 2]" 1 402 1 16 GLU HB3 1 17 LYS HA . . 4.500 4.156 3.834 4.365 . 0 0 "[ . 1 . 2]" 1 403 1 16 GLU HB3 1 18 PHE H . . 5.500 5.116 4.965 5.155 . 0 0 "[ . 1 . 2]" 1 404 1 16 GLU HG2 1 17 LYS H . . 5.500 4.973 4.766 5.057 . 0 0 "[ . 1 . 2]" 1 405 1 16 GLU HG3 1 17 LYS H . . 4.810 4.655 4.487 4.904 0.094 1 0 "[ . 1 . 2]" 1 406 1 17 LYS H 1 17 LYS HB2 . . 3.220 2.659 2.473 2.791 . 0 0 "[ . 1 . 2]" 1 407 1 17 LYS H 1 17 LYS HB3 . . 3.620 3.672 3.658 3.689 0.069 1 0 "[ . 1 . 2]" 1 408 1 17 LYS H 1 17 LYS HD2 . . 5.040 4.748 4.513 5.053 0.013 14 0 "[ . 1 . 2]" 1 409 1 17 LYS H 1 17 LYS HE2 . . 5.500 4.334 3.765 5.286 . 0 0 "[ . 1 . 2]" 1 410 1 17 LYS H 1 17 LYS HG2 . . 3.520 2.544 2.361 2.715 . 0 0 "[ . 1 . 2]" 1 411 1 17 LYS H 1 17 LYS HG3 . . 4.120 3.929 3.774 4.028 . 0 0 "[ . 1 . 2]" 1 412 1 17 LYS H 1 18 PHE H . . 3.130 2.475 2.364 2.607 . 0 0 "[ . 1 . 2]" 1 413 1 17 LYS H 1 18 PHE HA . . 5.500 5.124 5.025 5.244 . 0 0 "[ . 1 . 2]" 1 414 1 17 LYS H 1 18 PHE QD . . 4.780 4.107 3.919 4.283 . 0 0 "[ . 1 . 2]" 1 415 1 17 LYS H 1 19 PRO HD3 . . 5.270 3.970 3.843 4.128 . 0 0 "[ . 1 . 2]" 1 416 1 17 LYS HA 1 17 LYS HD2 . . 3.270 3.140 2.922 3.289 0.019 19 0 "[ . 1 . 2]" 1 417 1 17 LYS HA 1 17 LYS HG2 . . 3.530 3.300 2.984 3.413 . 0 0 "[ . 1 . 2]" 1 418 1 17 LYS HA 1 17 LYS HG3 . . 4.010 3.774 3.717 3.819 . 0 0 "[ . 1 . 2]" 1 419 1 17 LYS HA 1 18 PHE HA . . 5.120 4.455 4.374 4.539 . 0 0 "[ . 1 . 2]" 1 420 1 17 LYS HA 1 19 PRO HD2 . . 5.160 3.749 3.529 3.884 . 0 0 "[ . 1 . 2]" 1 421 1 17 LYS HA 1 19 PRO HD3 . . 4.120 4.000 3.908 4.119 . 0 0 "[ . 1 . 2]" 1 422 1 17 LYS HB2 1 18 PHE H . . 3.760 3.151 3.021 3.282 . 0 0 "[ . 1 . 2]" 1 423 1 17 LYS HB2 1 18 PHE QD . . 4.770 2.804 2.641 2.911 . 0 0 "[ . 1 . 2]" 1 424 1 17 LYS HB2 1 18 PHE QE . . 4.140 2.838 2.687 2.963 . 0 0 "[ . 1 . 2]" 1 425 1 17 LYS HB2 1 18 PHE HZ . . 5.250 4.324 4.115 4.544 . 0 0 "[ . 1 . 2]" 1 426 1 17 LYS HB2 1 61 ALA H . . 5.500 5.478 5.285 5.537 0.037 3 0 "[ . 1 . 2]" 1 427 1 17 LYS HB2 1 61 ALA MB . . 2.950 2.668 2.535 2.832 . 0 0 "[ . 1 . 2]" 1 428 1 17 LYS HB3 1 17 LYS HD3 . . 2.860 2.941 2.904 2.986 0.126 17 0 "[ . 1 . 2]" 1 429 1 17 LYS HB3 1 18 PHE H . . 4.070 4.056 3.957 4.099 0.029 13 0 "[ . 1 . 2]" 1 430 1 17 LYS HB3 1 18 PHE QD . . 4.020 3.985 3.735 4.041 0.021 8 0 "[ . 1 . 2]" 1 431 1 17 LYS HB3 1 18 PHE QE . . 4.460 3.557 3.130 3.890 . 0 0 "[ . 1 . 2]" 1 432 1 17 LYS HB3 1 18 PHE HZ . . 5.500 4.082 3.608 4.702 . 0 0 "[ . 1 . 2]" 1 433 1 17 LYS HE2 1 17 LYS HG2 . . 3.640 2.490 2.283 3.662 0.022 9 0 "[ . 1 . 2]" 1 434 1 17 LYS HE2 1 17 LYS HG3 . . 4.090 3.205 2.975 3.873 . 0 0 "[ . 1 . 2]" 1 435 1 17 LYS HE2 1 61 ALA HA . . 4.750 4.002 3.506 4.628 . 0 0 "[ . 1 . 2]" 1 436 1 17 LYS HG2 1 18 PHE H . . 4.710 4.559 4.361 4.714 0.004 14 0 "[ . 1 . 2]" 1 437 1 17 LYS HG2 1 18 PHE QD . . 5.130 4.914 4.575 5.141 0.011 14 0 "[ . 1 . 2]" 1 438 1 17 LYS HG2 1 18 PHE QE . . 4.730 4.773 4.757 4.792 0.062 13 0 "[ . 1 . 2]" 1 439 1 17 LYS HG2 1 61 ALA HA . . 3.310 3.335 3.238 3.365 0.055 2 0 "[ . 1 . 2]" 1 440 1 17 LYS HG3 1 18 PHE QE . . 4.920 4.043 3.843 4.184 . 0 0 "[ . 1 . 2]" 1 441 1 17 LYS HG3 1 18 PHE HZ . . 5.500 5.130 4.810 5.510 0.010 3 0 "[ . 1 . 2]" 1 442 1 17 LYS HG3 1 61 ALA HA . . 3.520 2.102 1.998 2.199 . 0 0 "[ . 1 . 2]" 1 443 1 18 PHE H 1 18 PHE HB2 . . 3.520 2.818 2.748 2.904 . 0 0 "[ . 1 . 2]" 1 444 1 18 PHE H 1 18 PHE QD . . 3.620 3.008 2.904 3.094 . 0 0 "[ . 1 . 2]" 1 445 1 18 PHE H 1 18 PHE QE . . 5.360 4.781 4.640 4.887 . 0 0 "[ . 1 . 2]" 1 446 1 18 PHE H 1 19 PRO HD2 . . 4.540 3.292 3.212 3.346 . 0 0 "[ . 1 . 2]" 1 447 1 18 PHE H 1 19 PRO HD3 . . 3.720 2.823 2.653 2.926 . 0 0 "[ . 1 . 2]" 1 448 1 18 PHE HA 1 18 PHE QD . . 3.490 2.892 2.702 3.031 . 0 0 "[ . 1 . 2]" 1 449 1 18 PHE HA 1 18 PHE QE . . 5.040 4.736 4.584 4.895 . 0 0 "[ . 1 . 2]" 1 450 1 18 PHE HA 1 19 PRO HD2 . . 3.190 2.411 2.385 2.458 . 0 0 "[ . 1 . 2]" 1 451 1 18 PHE HA 1 19 PRO HD3 . . 3.270 3.396 3.368 3.419 0.149 7 0 "[ . 1 . 2]" 1 452 1 18 PHE HA 1 19 PRO HG3 . . 4.910 4.938 4.913 4.965 0.055 19 0 "[ . 1 . 2]" 1 453 1 18 PHE HA 1 20 ARG H . . 4.590 3.155 2.851 3.361 . 0 0 "[ . 1 . 2]" 1 454 1 18 PHE HA 1 21 ALA H . . 5.350 3.891 3.584 4.043 . 0 0 "[ . 1 . 2]" 1 455 1 18 PHE HA 1 21 ALA MB . . 4.970 3.935 3.687 4.152 . 0 0 "[ . 1 . 2]" 1 456 1 18 PHE HB2 1 21 ALA H . . 4.610 4.392 4.248 4.588 . 0 0 "[ . 1 . 2]" 1 457 1 18 PHE HB2 1 21 ALA MB . . 3.690 3.017 2.817 3.165 . 0 0 "[ . 1 . 2]" 1 458 1 18 PHE HB2 1 24 ILE MG . . 4.530 2.568 2.206 2.901 . 0 0 "[ . 1 . 2]" 1 459 1 18 PHE HB2 1 41 ILE MD . . 4.170 3.361 3.102 3.543 . 0 0 "[ . 1 . 2]" 1 460 1 18 PHE HB2 1 41 ILE MG . . 5.500 3.187 2.984 3.475 . 0 0 "[ . 1 . 2]" 1 461 1 18 PHE HB3 1 21 ALA H . . 4.130 3.407 3.279 3.534 . 0 0 "[ . 1 . 2]" 1 462 1 18 PHE HB3 1 21 ALA MB . . 3.450 2.183 2.043 2.378 . 0 0 "[ . 1 . 2]" 1 463 1 18 PHE HB3 1 24 ILE MG . . 4.450 3.363 3.004 3.645 . 0 0 "[ . 1 . 2]" 1 464 1 18 PHE HB3 1 41 ILE MD . . 4.600 4.022 3.795 4.314 . 0 0 "[ . 1 . 2]" 1 465 1 18 PHE HB3 1 41 ILE MG . . 5.160 2.992 2.760 3.168 . 0 0 "[ . 1 . 2]" 1 466 1 18 PHE QD 1 19 PRO HD2 . . 5.290 4.869 4.698 4.991 . 0 0 "[ . 1 . 2]" 1 467 1 18 PHE QD 1 21 ALA H . . 4.990 4.969 4.686 5.017 0.027 16 0 "[ . 1 . 2]" 1 468 1 18 PHE QD 1 21 ALA MB . . 4.250 3.833 3.412 4.060 . 0 0 "[ . 1 . 2]" 1 469 1 18 PHE QD 1 41 ILE MD . . 3.910 2.769 2.580 2.985 . 0 0 "[ . 1 . 2]" 1 470 1 18 PHE QD 1 46 PHE HZ . . 4.780 3.895 3.678 4.143 . 0 0 "[ . 1 . 2]" 1 471 1 18 PHE QD 1 57 MET HB2 . . 5.500 5.430 5.296 5.515 0.015 9 0 "[ . 1 . 2]" 1 472 1 18 PHE QD 1 57 MET ME . . 3.850 3.969 3.842 4.108 0.258 19 0 "[ . 1 . 2]" 1 473 1 18 PHE QD 1 58 VAL HA . . 4.460 4.497 4.480 4.511 0.051 11 0 "[ . 1 . 2]" 1 474 1 18 PHE QD 1 58 VAL MG2 . . 4.160 4.274 4.089 4.460 0.300 10 0 "[ . 1 . 2]" 1 475 1 18 PHE QE 1 41 ILE MD . . 4.330 3.090 2.907 3.218 . 0 0 "[ . 1 . 2]" 1 476 1 18 PHE QE 1 41 ILE MG . . 4.530 3.948 3.745 4.084 . 0 0 "[ . 1 . 2]" 1 477 1 18 PHE QE 1 45 GLU HG2 . . 5.260 4.485 4.159 4.841 . 0 0 "[ . 1 . 2]" 1 478 1 18 PHE QE 1 45 GLU HG3 . . 4.970 3.912 3.437 4.300 . 0 0 "[ . 1 . 2]" 1 479 1 18 PHE QE 1 46 PHE QD . . 5.090 4.522 4.318 4.742 . 0 0 "[ . 1 . 2]" 1 480 1 18 PHE QE 1 46 PHE QE . . 3.780 3.086 2.819 3.326 . 0 0 "[ . 1 . 2]" 1 481 1 18 PHE QE 1 46 PHE HZ . . 4.240 2.751 2.590 2.961 . 0 0 "[ . 1 . 2]" 1 482 1 18 PHE QE 1 57 MET HA . . 5.330 4.952 4.852 5.029 . 0 0 "[ . 1 . 2]" 1 483 1 18 PHE QE 1 57 MET HB2 . . 3.980 3.206 3.020 3.340 . 0 0 "[ . 1 . 2]" 1 484 1 18 PHE QE 1 57 MET HB3 . . 3.480 2.991 2.766 3.239 . 0 0 "[ . 1 . 2]" 1 485 1 18 PHE QE 1 57 MET ME . . 3.620 2.269 2.113 2.421 . 0 0 "[ . 1 . 2]" 1 486 1 18 PHE QE 1 58 VAL H . . 4.900 4.332 4.219 4.468 . 0 0 "[ . 1 . 2]" 1 487 1 18 PHE QE 1 58 VAL HA . . 3.280 2.287 2.245 2.328 . 0 0 "[ . 1 . 2]" 1 488 1 18 PHE QE 1 58 VAL HB . . 4.900 4.944 4.927 4.964 0.064 2 0 "[ . 1 . 2]" 1 489 1 18 PHE QE 1 58 VAL MG1 . . 4.330 3.007 2.924 3.093 . 0 0 "[ . 1 . 2]" 1 490 1 18 PHE QE 1 58 VAL MG2 . . 3.800 3.195 3.074 3.311 . 0 0 "[ . 1 . 2]" 1 491 1 18 PHE QE 1 61 ALA H . . 5.020 4.426 4.326 4.542 . 0 0 "[ . 1 . 2]" 1 492 1 18 PHE QE 1 61 ALA MB . . 3.190 2.330 2.201 2.463 . 0 0 "[ . 1 . 2]" 1 493 1 18 PHE QE 1 76 THR MG . . 5.500 4.922 4.750 5.121 . 0 0 "[ . 1 . 2]" 1 494 1 18 PHE HZ 1 41 ILE MD . . 5.160 3.982 3.778 4.108 . 0 0 "[ . 1 . 2]" 1 495 1 18 PHE HZ 1 41 ILE MG . . 5.500 4.802 4.448 5.003 . 0 0 "[ . 1 . 2]" 1 496 1 18 PHE HZ 1 46 PHE QE . . 4.880 3.933 3.734 4.158 . 0 0 "[ . 1 . 2]" 1 497 1 18 PHE HZ 1 46 PHE HZ . . 4.710 3.308 2.885 3.591 . 0 0 "[ . 1 . 2]" 1 498 1 18 PHE HZ 1 57 MET H . . 5.500 4.909 4.760 5.165 . 0 0 "[ . 1 . 2]" 1 499 1 18 PHE HZ 1 57 MET HA . . 4.850 4.007 3.901 4.093 . 0 0 "[ . 1 . 2]" 1 500 1 18 PHE HZ 1 57 MET HB2 . . 3.800 2.772 2.523 2.990 . 0 0 "[ . 1 . 2]" 1 501 1 18 PHE HZ 1 57 MET HB3 . . 3.630 2.575 2.383 2.917 . 0 0 "[ . 1 . 2]" 1 502 1 18 PHE HZ 1 57 MET ME . . 4.520 3.719 3.440 3.881 . 0 0 "[ . 1 . 2]" 1 503 1 18 PHE HZ 1 57 MET HG3 . . 5.230 5.032 4.690 5.241 0.011 4 0 "[ . 1 . 2]" 1 504 1 18 PHE HZ 1 58 VAL H . . 5.010 3.327 3.172 3.543 . 0 0 "[ . 1 . 2]" 1 505 1 18 PHE HZ 1 58 VAL HA . . 3.180 2.671 2.502 2.902 . 0 0 "[ . 1 . 2]" 1 506 1 18 PHE HZ 1 58 VAL MG1 . . 4.640 3.991 3.844 4.172 . 0 0 "[ . 1 . 2]" 1 507 1 18 PHE HZ 1 58 VAL MG2 . . 3.790 2.839 2.665 2.949 . 0 0 "[ . 1 . 2]" 1 508 1 18 PHE HZ 1 61 ALA MB . . 3.750 3.526 3.203 3.755 0.005 18 0 "[ . 1 . 2]" 1 509 1 19 PRO HA 1 20 ARG HA . . 4.620 4.677 4.651 4.737 0.117 12 0 "[ . 1 . 2]" 1 510 1 19 PRO HA 1 21 ALA H . . 4.320 3.727 3.480 4.073 . 0 0 "[ . 1 . 2]" 1 511 1 19 PRO HA 1 21 ALA MB . . 5.400 4.282 4.054 4.561 . 0 0 "[ . 1 . 2]" 1 512 1 19 PRO HD2 1 20 ARG H . . 4.360 3.232 2.938 3.445 . 0 0 "[ . 1 . 2]" 1 513 1 19 PRO HD3 1 20 ARG H . . 4.400 4.135 3.939 4.269 . 0 0 "[ . 1 . 2]" 1 514 1 19 PRO HG2 1 20 ARG H . . 3.950 2.786 2.683 2.875 . 0 0 "[ . 1 . 2]" 1 515 1 19 PRO HG3 1 20 ARG H . . 4.310 4.320 4.176 4.365 0.055 6 0 "[ . 1 . 2]" 1 516 1 20 ARG H 1 20 ARG HB2 . . 3.860 2.466 2.274 2.615 . 0 0 "[ . 1 . 2]" 1 517 1 20 ARG H 1 20 ARG HB3 . . 3.590 3.616 3.557 3.657 0.067 4 0 "[ . 1 . 2]" 1 518 1 20 ARG H 1 20 ARG HD3 . . 5.410 3.946 2.305 5.042 . 0 0 "[ . 1 . 2]" 1 519 1 20 ARG H 1 20 ARG HG2 . . 4.060 2.811 2.279 4.077 0.017 8 0 "[ . 1 . 2]" 1 520 1 20 ARG H 1 20 ARG HG3 . . 3.790 3.511 2.392 3.846 0.056 8 0 "[ . 1 . 2]" 1 521 1 20 ARG H 1 21 ALA H . . 3.090 2.629 2.374 2.756 . 0 0 "[ . 1 . 2]" 1 522 1 20 ARG HA 1 20 ARG HD2 . . 4.300 3.461 2.273 4.391 0.091 10 0 "[ . 1 . 2]" 1 523 1 20 ARG HA 1 20 ARG HD3 . . 4.090 2.974 2.149 4.256 0.166 12 0 "[ . 1 . 2]" 1 524 1 20 ARG HA 1 20 ARG HG2 . . 3.430 3.080 2.138 3.516 0.086 18 0 "[ . 1 . 2]" 1 525 1 20 ARG HA 1 20 ARG HG3 . . 3.780 3.468 2.195 3.833 0.053 19 0 "[ . 1 . 2]" 1 526 1 20 ARG HB2 1 20 ARG HD2 . . 4.220 3.658 2.365 4.244 0.024 19 0 "[ . 1 . 2]" 1 527 1 20 ARG HB2 1 20 ARG HD3 . . 3.860 3.670 3.082 4.053 0.193 7 0 "[ . 1 . 2]" 1 528 1 20 ARG HB2 1 21 ALA H . . 4.870 3.490 3.270 3.691 . 0 0 "[ . 1 . 2]" 1 529 1 20 ARG HB2 1 21 ALA MB . . 4.760 4.635 4.269 4.782 0.022 8 0 "[ . 1 . 2]" 1 530 1 20 ARG HB3 1 21 ALA H . . 4.320 4.208 4.004 4.347 0.027 17 0 "[ . 1 . 2]" 1 531 1 21 ALA H 1 21 ALA MB . . 3.010 2.180 2.116 2.240 . 0 0 "[ . 1 . 2]" 1 532 1 21 ALA H 1 22 THR H . . 4.860 4.631 4.574 4.674 . 0 0 "[ . 1 . 2]" 1 533 1 21 ALA H 1 22 THR MG . . 5.500 5.421 5.145 5.545 0.045 20 0 "[ . 1 . 2]" 1 534 1 21 ALA H 1 24 ILE MG . . 5.110 4.394 4.076 4.622 . 0 0 "[ . 1 . 2]" 1 535 1 21 ALA H 1 41 ILE MG . . 5.500 4.904 4.674 5.096 . 0 0 "[ . 1 . 2]" 1 536 1 21 ALA H 1 43 SER HA . . 5.270 4.720 4.372 4.994 . 0 0 "[ . 1 . 2]" 1 537 1 21 ALA H 1 43 SER HB2 . . 5.470 3.986 3.667 4.177 . 0 0 "[ . 1 . 2]" 1 538 1 21 ALA HA 1 22 THR H . . 2.920 2.194 2.140 2.253 . 0 0 "[ . 1 . 2]" 1 539 1 21 ALA HA 1 23 ALA H . . 3.880 3.891 3.775 3.945 0.065 4 0 "[ . 1 . 2]" 1 540 1 21 ALA HA 1 41 ILE MG . . 5.250 4.141 4.009 4.308 . 0 0 "[ . 1 . 2]" 1 541 1 21 ALA HA 1 42 GLU H . . 5.500 4.271 4.132 4.422 . 0 0 "[ . 1 . 2]" 1 542 1 21 ALA HA 1 43 SER H . . 5.330 4.556 4.362 4.729 . 0 0 "[ . 1 . 2]" 1 543 1 21 ALA HA 1 43 SER HA . . 3.200 2.246 1.991 2.477 . 0 0 "[ . 1 . 2]" 1 544 1 21 ALA HA 1 43 SER HB2 . . 3.320 2.489 2.377 2.633 . 0 0 "[ . 1 . 2]" 1 545 1 21 ALA HA 1 43 SER HB3 . . 3.980 3.929 3.818 3.995 0.015 9 0 "[ . 1 . 2]" 1 546 1 21 ALA HA 1 44 GLU H . . 4.320 3.837 3.549 4.130 . 0 0 "[ . 1 . 2]" 1 547 1 21 ALA MB 1 22 THR H . . 3.620 2.680 2.523 2.787 . 0 0 "[ . 1 . 2]" 1 548 1 21 ALA MB 1 23 ALA H . . 3.710 2.804 2.442 2.974 . 0 0 "[ . 1 . 2]" 1 549 1 21 ALA MB 1 24 ILE H . . 5.500 4.496 4.252 4.655 . 0 0 "[ . 1 . 2]" 1 550 1 21 ALA MB 1 24 ILE MG . . 3.610 2.162 2.041 2.269 . 0 0 "[ . 1 . 2]" 1 551 1 21 ALA MB 1 42 GLU H . . 4.550 2.755 2.435 3.110 . 0 0 "[ . 1 . 2]" 1 552 1 21 ALA MB 1 43 SER HA . . 4.510 3.685 3.538 3.889 . 0 0 "[ . 1 . 2]" 1 553 1 21 ALA MB 1 43 SER HB2 . . 3.570 2.542 2.191 2.766 . 0 0 "[ . 1 . 2]" 1 554 1 21 ALA MB 1 43 SER HB3 . . 4.250 4.028 3.642 4.250 0.000 9 0 "[ . 1 . 2]" 1 555 1 21 ALA MB 1 44 GLU H . . 5.500 5.159 4.894 5.448 . 0 0 "[ . 1 . 2]" 1 556 1 22 THR H 1 22 THR HB . . 4.190 3.744 3.629 3.842 . 0 0 "[ . 1 . 2]" 1 557 1 22 THR H 1 22 THR MG . . 3.560 2.685 2.236 2.975 . 0 0 "[ . 1 . 2]" 1 558 1 22 THR H 1 23 ALA H . . 2.950 2.166 2.007 2.301 . 0 0 "[ . 1 . 2]" 1 559 1 22 THR H 1 42 GLU HB2 . . 4.920 4.988 4.943 5.014 0.094 19 0 "[ . 1 . 2]" 1 560 1 22 THR H 1 42 GLU HB3 . . 5.360 3.451 3.387 3.516 . 0 0 "[ . 1 . 2]" 1 561 1 22 THR H 1 43 SER H . . 5.200 4.546 4.449 4.635 . 0 0 "[ . 1 . 2]" 1 562 1 22 THR H 1 43 SER HA . . 3.580 2.879 2.775 2.967 . 0 0 "[ . 1 . 2]" 1 563 1 22 THR H 1 43 SER HB2 . . 4.210 3.966 3.872 4.025 . 0 0 "[ . 1 . 2]" 1 564 1 22 THR H 1 43 SER HB3 . . 5.220 5.274 5.223 5.318 0.098 16 0 "[ . 1 . 2]" 1 565 1 22 THR H 1 44 GLU H . . 4.760 4.695 4.399 4.799 0.039 20 0 "[ . 1 . 2]" 1 566 1 22 THR HA 1 22 THR HB . . 2.400 2.416 2.348 2.470 0.070 1 0 "[ . 1 . 2]" 1 567 1 22 THR HA 1 22 THR MG . . 2.680 2.391 2.276 2.537 . 0 0 "[ . 1 . 2]" 1 568 1 22 THR HA 1 23 ALA HA . . 4.930 4.426 4.148 4.618 . 0 0 "[ . 1 . 2]" 1 569 1 22 THR HB 1 23 ALA H . . 4.350 4.004 3.767 4.296 . 0 0 "[ . 1 . 2]" 1 570 1 22 THR MG 1 23 ALA H . . 4.740 4.101 3.783 4.345 . 0 0 "[ . 1 . 2]" 1 571 1 22 THR MG 1 43 SER HA . . 4.410 3.423 2.889 3.818 . 0 0 "[ . 1 . 2]" 1 572 1 22 THR MG 1 44 GLU H . . 5.360 3.905 3.490 4.251 . 0 0 "[ . 1 . 2]" 1 573 1 22 THR MG 1 79 PRO HB2 . . 4.250 3.675 2.922 4.260 0.010 7 0 "[ . 1 . 2]" 1 574 1 22 THR MG 1 79 PRO HD3 . . 4.970 3.702 3.086 4.079 . 0 0 "[ . 1 . 2]" 1 575 1 22 THR MG 1 79 PRO HG2 . . 3.690 3.606 3.332 3.728 0.038 4 0 "[ . 1 . 2]" 1 576 1 22 THR MG 1 79 PRO HG3 . . 4.220 2.329 2.083 2.580 . 0 0 "[ . 1 . 2]" 1 577 1 23 ALA H 1 23 ALA MB . . 3.380 2.560 2.418 2.721 . 0 0 "[ . 1 . 2]" 1 578 1 23 ALA H 1 24 ILE H . . 4.500 4.408 4.335 4.479 . 0 0 "[ . 1 . 2]" 1 579 1 23 ALA H 1 24 ILE HG12 . . 5.030 4.580 4.282 4.947 . 0 0 "[ . 1 . 2]" 1 580 1 23 ALA H 1 24 ILE MG . . 5.140 4.338 4.122 4.508 . 0 0 "[ . 1 . 2]" 1 581 1 23 ALA H 1 41 ILE HA . . 5.500 4.383 4.226 4.527 . 0 0 "[ . 1 . 2]" 1 582 1 23 ALA H 1 41 ILE MG . . 5.500 4.184 4.021 4.390 . 0 0 "[ . 1 . 2]" 1 583 1 23 ALA H 1 42 GLU H . . 3.810 2.751 2.646 2.890 . 0 0 "[ . 1 . 2]" 1 584 1 23 ALA H 1 42 GLU HB2 . . 3.790 3.862 3.824 3.894 0.104 4 0 "[ . 1 . 2]" 1 585 1 23 ALA H 1 42 GLU HB3 . . 4.470 2.287 2.209 2.366 . 0 0 "[ . 1 . 2]" 1 586 1 23 ALA H 1 43 SER HA . . 5.380 4.672 4.462 4.850 . 0 0 "[ . 1 . 2]" 1 587 1 23 ALA H 1 43 SER HB2 . . 5.190 5.064 4.914 5.191 0.001 4 0 "[ . 1 . 2]" 1 588 1 23 ALA HA 1 24 ILE H . . 2.690 2.202 2.152 2.248 . 0 0 "[ . 1 . 2]" 1 589 1 23 ALA HA 1 24 ILE HG12 . . 4.300 3.972 3.825 4.239 . 0 0 "[ . 1 . 2]" 1 590 1 23 ALA HA 1 24 ILE MG . . 5.370 4.686 4.590 4.802 . 0 0 "[ . 1 . 2]" 1 591 1 23 ALA HA 1 25 LYS QE . . 3.770 3.498 2.944 3.788 0.018 5 0 "[ . 1 . 2]" 1 592 1 23 ALA HA 1 42 GLU H . . 5.070 4.782 4.629 4.908 . 0 0 "[ . 1 . 2]" 1 593 1 23 ALA MB 1 24 ILE H . . 3.580 2.964 2.816 3.109 . 0 0 "[ . 1 . 2]" 1 594 1 23 ALA MB 1 24 ILE HA . . 4.920 3.898 3.768 3.989 . 0 0 "[ . 1 . 2]" 1 595 1 23 ALA MB 1 25 LYS H . . 5.500 4.493 4.254 4.698 . 0 0 "[ . 1 . 2]" 1 596 1 23 ALA MB 1 25 LYS QE . . 4.690 2.378 2.073 2.970 . 0 0 "[ . 1 . 2]" 1 597 1 23 ALA MB 1 41 ILE HA . . 4.740 3.322 3.050 3.600 . 0 0 "[ . 1 . 2]" 1 598 1 23 ALA MB 1 41 ILE MG . . 4.560 4.259 4.045 4.491 . 0 0 "[ . 1 . 2]" 1 599 1 23 ALA MB 1 42 GLU H . . 4.010 3.063 2.802 3.317 . 0 0 "[ . 1 . 2]" 1 600 1 23 ALA MB 1 42 GLU HA . . 5.190 4.351 4.164 4.503 . 0 0 "[ . 1 . 2]" 1 601 1 23 ALA MB 1 42 GLU HB2 . . 3.410 2.762 2.606 2.895 . 0 0 "[ . 1 . 2]" 1 602 1 23 ALA MB 1 42 GLU HB3 . . 4.640 2.281 2.159 2.380 . 0 0 "[ . 1 . 2]" 1 603 1 23 ALA MB 1 42 GLU HG2 . . 4.390 4.340 4.162 4.415 0.025 4 0 "[ . 1 . 2]" 1 604 1 24 ILE H 1 24 ILE HB . . 4.120 3.858 3.792 3.910 . 0 0 "[ . 1 . 2]" 1 605 1 24 ILE H 1 24 ILE HG12 . . 3.410 3.082 2.950 3.165 . 0 0 "[ . 1 . 2]" 1 606 1 24 ILE H 1 24 ILE HG13 . . 3.760 2.788 2.631 2.911 . 0 0 "[ . 1 . 2]" 1 607 1 24 ILE H 1 24 ILE MG . . 4.320 3.777 3.711 3.846 . 0 0 "[ . 1 . 2]" 1 608 1 24 ILE H 1 25 LYS H . . 4.770 3.852 3.665 4.025 . 0 0 "[ . 1 . 2]" 1 609 1 24 ILE H 1 25 LYS QG . . 5.460 4.208 3.881 5.032 . 0 0 "[ . 1 . 2]" 1 610 1 24 ILE HA 1 24 ILE HG12 . . 4.190 3.712 3.660 3.771 . 0 0 "[ . 1 . 2]" 1 611 1 24 ILE HA 1 24 ILE MG . . 3.220 2.179 2.155 2.204 . 0 0 "[ . 1 . 2]" 1 612 1 24 ILE HA 1 25 LYS H . . 2.740 2.128 2.072 2.175 . 0 0 "[ . 1 . 2]" 1 613 1 24 ILE HA 1 25 LYS QE . . 4.040 3.995 3.563 4.095 0.055 4 0 "[ . 1 . 2]" 1 614 1 24 ILE HA 1 39 ILE MG . . 5.500 4.544 4.335 4.772 . 0 0 "[ . 1 . 2]" 1 615 1 24 ILE HA 1 40 LYS H . . 4.560 4.594 4.574 4.610 0.050 9 0 "[ . 1 . 2]" 1 616 1 24 ILE HA 1 41 ILE HA . . 3.600 2.663 2.575 2.747 . 0 0 "[ . 1 . 2]" 1 617 1 24 ILE HA 1 41 ILE MD . . 5.130 3.980 3.807 4.189 . 0 0 "[ . 1 . 2]" 1 618 1 24 ILE HA 1 41 ILE HG12 . . 5.290 3.206 3.054 3.377 . 0 0 "[ . 1 . 2]" 1 619 1 24 ILE HA 1 42 GLU H . . 4.560 4.374 4.229 4.516 . 0 0 "[ . 1 . 2]" 1 620 1 24 ILE HG12 1 24 ILE MG . . 3.300 2.395 2.350 2.452 . 0 0 "[ . 1 . 2]" 1 621 1 24 ILE HG13 1 25 LYS QE . . 5.310 4.784 4.099 5.327 0.017 10 0 "[ . 1 . 2]" 1 622 1 24 ILE MG 1 25 LYS H . . 3.870 3.692 3.565 3.848 . 0 0 "[ . 1 . 2]" 1 623 1 24 ILE MG 1 41 ILE MD . . 4.310 2.413 2.243 2.654 . 0 0 "[ . 1 . 2]" 1 624 1 24 ILE MG 1 42 GLU H . . 4.460 3.575 3.415 3.816 . 0 0 "[ . 1 . 2]" 1 625 1 25 LYS H 1 25 LYS HB2 . . 3.900 3.935 3.917 3.961 0.061 2 0 "[ . 1 . 2]" 1 626 1 25 LYS H 1 25 LYS HB3 . . 3.700 3.425 3.304 3.704 0.004 2 0 "[ . 1 . 2]" 1 627 1 25 LYS H 1 25 LYS QE . . 5.500 3.517 3.059 3.805 . 0 0 "[ . 1 . 2]" 1 628 1 25 LYS H 1 25 LYS QG . . 4.260 2.363 2.263 3.106 . 0 0 "[ . 1 . 2]" 1 629 1 25 LYS H 1 26 VAL H . . 4.640 4.399 4.336 4.439 . 0 0 "[ . 1 . 2]" 1 630 1 25 LYS H 1 26 VAL QG . . 4.850 4.052 3.920 4.307 . 0 0 "[ . 1 . 2]" 1 631 1 25 LYS H 1 39 ILE MG . . 5.490 3.837 3.567 4.148 . 0 0 "[ . 1 . 2]" 1 632 1 25 LYS H 1 40 LYS H . . 3.760 2.994 2.932 3.053 . 0 0 "[ . 1 . 2]" 1 633 1 25 LYS H 1 40 LYS HA . . 5.500 4.891 4.805 5.000 . 0 0 "[ . 1 . 2]" 1 634 1 25 LYS H 1 41 ILE HA . . 4.290 3.941 3.836 4.075 . 0 0 "[ . 1 . 2]" 1 635 1 25 LYS H 1 41 ILE MD . . 5.500 4.718 4.542 4.870 . 0 0 "[ . 1 . 2]" 1 636 1 25 LYS H 1 41 ILE HG13 . . 5.500 5.174 5.014 5.361 . 0 0 "[ . 1 . 2]" 1 637 1 25 LYS H 1 41 ILE MG . . 5.110 4.953 4.803 5.115 0.005 2 0 "[ . 1 . 2]" 1 638 1 25 LYS HA 1 25 LYS HB3 . . 2.990 2.359 2.274 2.407 . 0 0 "[ . 1 . 2]" 1 639 1 25 LYS HA 1 25 LYS QD . . 4.400 4.420 3.992 4.454 0.054 18 0 "[ . 1 . 2]" 1 640 1 25 LYS HA 1 25 LYS QG . . 3.550 3.387 3.351 3.561 0.011 2 0 "[ . 1 . 2]" 1 641 1 25 LYS HA 1 26 VAL H . . 2.650 2.254 2.203 2.303 . 0 0 "[ . 1 . 2]" 1 642 1 25 LYS HA 1 26 VAL QG . . 4.210 3.214 3.058 3.380 . 0 0 "[ . 1 . 2]" 1 643 1 25 LYS HA 1 26 VAL MG2 . . 4.550 3.238 3.077 3.411 . 0 0 "[ . 1 . 2]" 1 644 1 25 LYS HB2 1 26 VAL H . . 4.100 2.648 2.389 2.815 . 0 0 "[ . 1 . 2]" 1 645 1 25 LYS HB3 1 25 LYS QE . . 4.950 2.100 1.931 2.206 . 0 0 "[ . 1 . 2]" 1 646 1 25 LYS HB3 1 26 VAL H . . 4.080 3.806 3.489 3.963 . 0 0 "[ . 1 . 2]" 1 647 1 25 LYS QE 1 25 LYS QG . . 3.340 2.257 2.152 2.897 . 0 0 "[ . 1 . 2]" 1 648 1 25 LYS QG 1 26 VAL H . . 3.950 3.855 3.692 3.953 0.003 18 0 "[ . 1 . 2]" 1 649 1 25 LYS QG 1 26 VAL MG2 . . 5.500 4.789 4.649 5.110 . 0 0 "[ . 1 . 2]" 1 650 1 25 LYS QG 1 40 LYS H . . 5.150 3.026 2.747 3.478 . 0 0 "[ . 1 . 2]" 1 651 1 25 LYS QG 1 40 LYS HA . . 5.500 4.438 4.185 5.219 . 0 0 "[ . 1 . 2]" 1 652 1 26 VAL H 1 26 VAL HB . . 3.290 2.782 2.628 2.922 . 0 0 "[ . 1 . 2]" 1 653 1 26 VAL H 1 26 VAL QG . . 3.630 2.704 2.571 2.813 . 0 0 "[ . 1 . 2]" 1 654 1 26 VAL H 1 26 VAL MG2 . . 3.760 2.752 2.606 2.873 . 0 0 "[ . 1 . 2]" 1 655 1 26 VAL H 1 27 THR H . . 5.140 4.469 4.354 4.556 . 0 0 "[ . 1 . 2]" 1 656 1 26 VAL H 1 39 ILE HA . . 5.000 4.925 4.840 4.979 . 0 0 "[ . 1 . 2]" 1 657 1 26 VAL H 1 39 ILE MG . . 5.500 5.258 4.820 5.416 . 0 0 "[ . 1 . 2]" 1 658 1 26 VAL HA 1 26 VAL QG . . 3.280 2.204 2.184 2.246 . 0 0 "[ . 1 . 2]" 1 659 1 26 VAL HA 1 26 VAL MG2 . . 3.140 2.583 2.517 2.622 . 0 0 "[ . 1 . 2]" 1 660 1 26 VAL HA 1 27 THR H . . 2.810 2.267 2.194 2.319 . 0 0 "[ . 1 . 2]" 1 661 1 26 VAL HA 1 27 THR MG . . 5.500 5.540 5.514 5.566 0.066 7 0 "[ . 1 . 2]" 1 662 1 26 VAL HA 1 38 GLU H . . 5.220 4.791 4.686 4.952 . 0 0 "[ . 1 . 2]" 1 663 1 26 VAL HA 1 39 ILE HA . . 3.770 2.473 2.372 2.545 . 0 0 "[ . 1 . 2]" 1 664 1 26 VAL HA 1 39 ILE MG . . 4.780 3.742 3.251 3.874 . 0 0 "[ . 1 . 2]" 1 665 1 26 VAL HA 1 40 LYS H . . 3.990 3.719 3.587 3.904 . 0 0 "[ . 1 . 2]" 1 666 1 26 VAL HB 1 27 THR H . . 4.820 3.941 3.832 4.066 . 0 0 "[ . 1 . 2]" 1 667 1 26 VAL QG 1 27 THR H . . 3.680 2.434 2.303 2.569 . 0 0 "[ . 1 . 2]" 1 668 1 26 VAL QG 1 27 THR HA . . 4.800 3.482 3.312 3.622 . 0 0 "[ . 1 . 2]" 1 669 1 26 VAL QG 1 28 ASP H . . 5.420 3.952 3.598 4.236 . 0 0 "[ . 1 . 2]" 1 670 1 26 VAL QG 1 37 TYR HA . . 4.970 4.215 4.003 4.409 . 0 0 "[ . 1 . 2]" 1 671 1 26 VAL QG 1 37 TYR HB2 . . 4.010 3.498 3.215 3.758 . 0 0 "[ . 1 . 2]" 1 672 1 26 VAL QG 1 37 TYR HB3 . . 4.210 2.509 2.274 2.740 . 0 0 "[ . 1 . 2]" 1 673 1 26 VAL QG 1 37 TYR QD . . 3.160 2.464 2.228 2.707 . 0 0 "[ . 1 . 2]" 1 674 1 26 VAL QG 1 37 TYR QE . . 4.340 3.907 3.637 4.160 . 0 0 "[ . 1 . 2]" 1 675 1 26 VAL QG 1 38 GLU H . . 5.150 3.855 3.715 4.107 . 0 0 "[ . 1 . 2]" 1 676 1 26 VAL QG 1 39 ILE HA . . 3.980 3.114 2.918 3.409 . 0 0 "[ . 1 . 2]" 1 677 1 26 VAL QG 1 40 LYS H . . 4.750 4.014 3.794 4.288 . 0 0 "[ . 1 . 2]" 1 678 1 26 VAL MG1 1 27 THR H . . 3.940 2.451 2.315 2.593 . 0 0 "[ . 1 . 2]" 1 679 1 26 VAL MG1 1 27 THR HA . . 4.590 3.521 3.343 3.671 . 0 0 "[ . 1 . 2]" 1 680 1 26 VAL MG1 1 28 ASP H . . 5.500 3.990 3.623 4.284 . 0 0 "[ . 1 . 2]" 1 681 1 26 VAL MG1 1 37 TYR HB2 . . 4.540 3.539 3.248 3.809 . 0 0 "[ . 1 . 2]" 1 682 1 26 VAL MG1 1 37 TYR QD . . 3.870 2.470 2.232 2.716 . 0 0 "[ . 1 . 2]" 1 683 1 26 VAL MG1 1 37 TYR QE . . 4.760 3.956 3.679 4.216 . 0 0 "[ . 1 . 2]" 1 684 1 27 THR H 1 27 THR HB . . 3.400 2.754 2.589 2.876 . 0 0 "[ . 1 . 2]" 1 685 1 27 THR H 1 27 THR MG . . 4.340 3.926 3.835 3.956 . 0 0 "[ . 1 . 2]" 1 686 1 27 THR H 1 28 ASP H . . 5.100 4.296 4.164 4.383 . 0 0 "[ . 1 . 2]" 1 687 1 27 THR H 1 29 ILE MD . . 5.500 5.116 5.023 5.230 . 0 0 "[ . 1 . 2]" 1 688 1 27 THR H 1 37 TYR HA . . 4.870 4.364 4.247 4.489 . 0 0 "[ . 1 . 2]" 1 689 1 27 THR H 1 37 TYR HB2 . . 4.960 4.977 4.851 5.028 0.068 6 0 "[ . 1 . 2]" 1 690 1 27 THR H 1 37 TYR QD . . 4.670 3.967 3.827 4.092 . 0 0 "[ . 1 . 2]" 1 691 1 27 THR H 1 38 GLU H . . 3.790 2.862 2.796 3.048 . 0 0 "[ . 1 . 2]" 1 692 1 27 THR H 1 38 GLU HA . . 5.500 4.561 4.476 4.738 . 0 0 "[ . 1 . 2]" 1 693 1 27 THR H 1 38 GLU HB3 . . 4.990 3.041 2.691 3.850 . 0 0 "[ . 1 . 2]" 1 694 1 27 THR H 1 38 GLU HG3 . . 5.500 5.574 5.518 5.625 0.125 6 0 "[ . 1 . 2]" 1 695 1 27 THR H 1 39 ILE HG12 . . 5.500 4.196 3.661 4.508 . 0 0 "[ . 1 . 2]" 1 696 1 27 THR H 1 39 ILE MG . . 5.390 5.289 4.796 5.403 0.013 16 0 "[ . 1 . 2]" 1 697 1 27 THR HA 1 27 THR MG . . 3.370 2.424 2.354 2.491 . 0 0 "[ . 1 . 2]" 1 698 1 27 THR HA 1 28 ASP H . . 2.910 2.117 2.058 2.167 . 0 0 "[ . 1 . 2]" 1 699 1 27 THR HA 1 28 ASP HB2 . . 4.710 4.783 4.654 4.820 0.110 10 0 "[ . 1 . 2]" 1 700 1 27 THR HA 1 28 ASP HB3 . . 4.440 4.314 4.019 4.503 0.063 2 0 "[ . 1 . 2]" 1 701 1 27 THR HA 1 37 TYR QD . . 4.970 4.266 4.093 4.455 . 0 0 "[ . 1 . 2]" 1 702 1 27 THR HB 1 28 ASP H . . 4.920 4.246 4.163 4.351 . 0 0 "[ . 1 . 2]" 1 703 1 27 THR HB 1 29 ILE MD . . 4.090 4.081 3.934 4.133 0.043 14 0 "[ . 1 . 2]" 1 704 1 27 THR HB 1 29 ILE MG . . 3.540 3.102 2.750 3.542 0.002 3 0 "[ . 1 . 2]" 1 705 1 27 THR HB 1 38 GLU H . . 4.130 3.073 2.769 3.273 . 0 0 "[ . 1 . 2]" 1 706 1 27 THR HB 1 38 GLU HB2 . . 3.790 2.893 2.226 3.842 0.052 2 0 "[ . 1 . 2]" 1 707 1 27 THR HB 1 38 GLU HB3 . . 3.050 2.101 1.961 2.207 . 0 0 "[ . 1 . 2]" 1 708 1 27 THR HB 1 38 GLU HG2 . . 5.060 4.241 3.356 4.673 . 0 0 "[ . 1 . 2]" 1 709 1 27 THR HB 1 38 GLU HG3 . . 4.700 4.647 4.466 4.765 0.065 20 0 "[ . 1 . 2]" 1 710 1 27 THR MG 1 28 ASP H . . 3.690 2.791 2.490 3.075 . 0 0 "[ . 1 . 2]" 1 711 1 27 THR MG 1 28 ASP HB2 . . 5.110 4.946 4.773 5.098 . 0 0 "[ . 1 . 2]" 1 712 1 27 THR MG 1 29 ILE H . . 5.500 4.304 3.975 4.560 . 0 0 "[ . 1 . 2]" 1 713 1 27 THR MG 1 29 ILE MD . . 3.960 3.972 3.853 3.996 0.036 8 0 "[ . 1 . 2]" 1 714 1 27 THR MG 1 29 ILE MG . . 3.490 2.131 1.995 2.395 . 0 0 "[ . 1 . 2]" 1 715 1 27 THR MG 1 37 TYR HA . . 5.500 4.638 4.418 4.786 . 0 0 "[ . 1 . 2]" 1 716 1 27 THR MG 1 37 TYR QD . . 5.500 4.967 4.843 5.182 . 0 0 "[ . 1 . 2]" 1 717 1 27 THR MG 1 38 GLU H . . 5.090 3.856 3.602 3.982 . 0 0 "[ . 1 . 2]" 1 718 1 28 ASP H 1 28 ASP HB2 . . 3.440 2.840 2.637 2.982 . 0 0 "[ . 1 . 2]" 1 719 1 28 ASP H 1 28 ASP HB3 . . 3.570 2.231 2.022 2.398 . 0 0 "[ . 1 . 2]" 1 720 1 28 ASP H 1 29 ILE H . . 5.140 4.500 4.446 4.536 . 0 0 "[ . 1 . 2]" 1 721 1 28 ASP H 1 37 TYR QD . . 4.630 3.476 3.368 3.667 . 0 0 "[ . 1 . 2]" 1 722 1 28 ASP H 1 37 TYR QE . . 4.740 4.279 4.084 4.478 . 0 0 "[ . 1 . 2]" 1 723 1 28 ASP HA 1 29 ILE H . . 2.960 2.039 1.988 2.090 . 0 0 "[ . 1 . 2]" 1 724 1 28 ASP HA 1 29 ILE HG13 . . 5.050 5.126 5.060 5.171 0.121 11 0 "[ . 1 . 2]" 1 725 1 28 ASP HA 1 30 SER H . . 3.970 3.601 3.478 3.771 . 0 0 "[ . 1 . 2]" 1 726 1 28 ASP HA 1 36 MET H . . 5.500 5.359 4.922 5.546 0.046 18 0 "[ . 1 . 2]" 1 727 1 28 ASP HA 1 37 TYR HA . . 3.460 2.659 2.536 2.858 . 0 0 "[ . 1 . 2]" 1 728 1 28 ASP HA 1 37 TYR HB2 . . 4.730 4.800 4.757 4.833 0.103 3 0 "[ . 1 . 2]" 1 729 1 28 ASP HA 1 37 TYR QD . . 3.580 2.419 2.248 2.603 . 0 0 "[ . 1 . 2]" 1 730 1 28 ASP HA 1 37 TYR QE . . 4.420 3.286 3.098 3.483 . 0 0 "[ . 1 . 2]" 1 731 1 28 ASP HA 1 38 GLU H . . 4.500 3.899 3.752 4.065 . 0 0 "[ . 1 . 2]" 1 732 1 28 ASP HB2 1 29 ILE H . . 4.860 4.101 3.953 4.276 . 0 0 "[ . 1 . 2]" 1 733 1 28 ASP HB2 1 30 SER H . . 5.500 4.462 4.281 4.685 . 0 0 "[ . 1 . 2]" 1 734 1 28 ASP HB2 1 37 TYR QD . . 5.050 3.064 2.893 3.209 . 0 0 "[ . 1 . 2]" 1 735 1 28 ASP HB2 1 37 TYR QE . . 4.370 2.126 2.078 2.189 . 0 0 "[ . 1 . 2]" 1 736 1 28 ASP HB3 1 29 ILE H . . 4.710 4.290 4.059 4.438 . 0 0 "[ . 1 . 2]" 1 737 1 28 ASP HB3 1 30 SER H . . 5.500 4.384 4.025 4.803 . 0 0 "[ . 1 . 2]" 1 738 1 28 ASP HB3 1 37 TYR QD . . 5.410 4.207 4.055 4.329 . 0 0 "[ . 1 . 2]" 1 739 1 28 ASP HB3 1 37 TYR QE . . 3.730 3.784 3.766 3.798 0.068 4 0 "[ . 1 . 2]" 1 740 1 29 ILE H 1 29 ILE MD . . 4.090 3.853 3.780 3.904 . 0 0 "[ . 1 . 2]" 1 741 1 29 ILE H 1 29 ILE HG12 . . 3.710 2.230 2.175 2.291 . 0 0 "[ . 1 . 2]" 1 742 1 29 ILE H 1 29 ILE HG13 . . 3.420 3.313 3.228 3.429 0.009 9 0 "[ . 1 . 2]" 1 743 1 29 ILE H 1 29 ILE MG . . 3.770 3.120 3.010 3.250 . 0 0 "[ . 1 . 2]" 1 744 1 29 ILE H 1 30 SER H . . 3.290 2.342 2.157 2.490 . 0 0 "[ . 1 . 2]" 1 745 1 29 ILE H 1 30 SER HB2 . . 5.270 4.137 3.145 5.275 0.005 16 0 "[ . 1 . 2]" 1 746 1 29 ILE H 1 30 SER HB3 . . 5.360 3.844 3.553 4.464 . 0 0 "[ . 1 . 2]" 1 747 1 29 ILE H 1 36 MET H . . 5.500 4.380 4.113 4.596 . 0 0 "[ . 1 . 2]" 1 748 1 29 ILE H 1 36 MET QB . . 4.530 3.451 3.277 3.767 . 0 0 "[ . 1 . 2]" 1 749 1 29 ILE H 1 37 TYR H . . 5.500 4.724 4.613 4.881 . 0 0 "[ . 1 . 2]" 1 750 1 29 ILE H 1 37 TYR HA . . 3.580 2.745 2.593 2.934 . 0 0 "[ . 1 . 2]" 1 751 1 29 ILE H 1 37 TYR QD . . 4.840 4.131 3.891 4.282 . 0 0 "[ . 1 . 2]" 1 752 1 29 ILE H 1 38 GLU H . . 4.350 4.214 4.057 4.356 0.006 2 0 "[ . 1 . 2]" 1 753 1 29 ILE HA 1 29 ILE MG . . 3.380 2.229 2.159 2.270 . 0 0 "[ . 1 . 2]" 1 754 1 29 ILE HB 1 29 ILE MD . . 3.220 2.643 2.585 2.704 . 0 0 "[ . 1 . 2]" 1 755 1 29 ILE HB 1 30 SER H . . 5.200 4.522 4.499 4.565 . 0 0 "[ . 1 . 2]" 1 756 1 29 ILE MD 1 30 SER H . . 5.500 5.373 5.246 5.509 0.009 6 0 "[ . 1 . 2]" 1 757 1 29 ILE MD 1 36 MET HG2 . . 4.120 3.841 3.064 4.166 0.046 2 0 "[ . 1 . 2]" 1 758 1 29 ILE MD 1 37 TYR H . . 5.500 3.527 3.314 3.747 . 0 0 "[ . 1 . 2]" 1 759 1 29 ILE MD 1 37 TYR HA . . 4.890 3.181 2.978 3.365 . 0 0 "[ . 1 . 2]" 1 760 1 29 ILE MD 1 37 TYR QD . . 5.500 5.204 5.017 5.366 . 0 0 "[ . 1 . 2]" 1 761 1 29 ILE MD 1 38 GLU H . . 4.860 2.778 2.608 2.913 . 0 0 "[ . 1 . 2]" 1 762 1 29 ILE MD 1 38 GLU HA . . 4.690 3.184 3.063 3.368 . 0 0 "[ . 1 . 2]" 1 763 1 29 ILE MD 1 38 GLU HB2 . . 3.780 2.183 1.996 2.387 . 0 0 "[ . 1 . 2]" 1 764 1 29 ILE MD 1 38 GLU HG2 . . 4.370 4.428 4.383 4.483 0.113 12 0 "[ . 1 . 2]" 1 765 1 29 ILE MD 1 38 GLU HG3 . . 5.300 3.468 3.119 4.166 . 0 0 "[ . 1 . 2]" 1 766 1 29 ILE MD 1 73 ARG H . . 5.340 3.740 3.387 4.073 . 0 0 "[ . 1 . 2]" 1 767 1 29 ILE MD 1 73 ARG HD2 . . 4.580 3.636 3.063 4.152 . 0 0 "[ . 1 . 2]" 1 768 1 29 ILE MD 1 73 ARG HD3 . . 4.910 4.193 3.593 4.937 0.027 1 0 "[ . 1 . 2]" 1 769 1 29 ILE HG12 1 30 SER H . . 4.970 4.169 3.973 4.383 . 0 0 "[ . 1 . 2]" 1 770 1 29 ILE HG12 1 36 MET H . . 5.500 4.865 4.625 5.114 . 0 0 "[ . 1 . 2]" 1 771 1 29 ILE HG12 1 36 MET QB . . 3.870 2.718 2.512 3.441 . 0 0 "[ . 1 . 2]" 1 772 1 29 ILE HG12 1 36 MET ME . . 5.080 4.857 3.704 5.105 0.025 16 0 "[ . 1 . 2]" 1 773 1 29 ILE HG12 1 36 MET HG2 . . 4.620 4.479 3.484 4.728 0.108 11 0 "[ . 1 . 2]" 1 774 1 29 ILE HG12 1 37 TYR HA . . 4.720 2.334 2.048 2.451 . 0 0 "[ . 1 . 2]" 1 775 1 29 ILE HG12 1 38 GLU H . . 5.450 3.347 3.134 3.474 . 0 0 "[ . 1 . 2]" 1 776 1 29 ILE HG13 1 30 SER H . . 5.030 4.487 4.297 4.700 . 0 0 "[ . 1 . 2]" 1 777 1 29 ILE HG13 1 36 MET H . . 5.290 4.909 4.695 5.149 . 0 0 "[ . 1 . 2]" 1 778 1 29 ILE HG13 1 36 MET QB . . 4.240 2.150 1.996 2.726 . 0 0 "[ . 1 . 2]" 1 779 1 29 ILE HG13 1 36 MET ME . . 5.480 3.754 2.332 4.289 . 0 0 "[ . 1 . 2]" 1 780 1 29 ILE HG13 1 37 TYR H . . 5.500 4.308 3.842 4.587 . 0 0 "[ . 1 . 2]" 1 781 1 29 ILE HG13 1 37 TYR HA . . 4.060 3.954 3.564 4.087 0.027 18 0 "[ . 1 . 2]" 1 782 1 29 ILE HG13 1 38 GLU H . . 4.900 4.878 4.707 4.925 0.025 2 0 "[ . 1 . 2]" 1 783 1 29 ILE MG 1 30 SER H . . 4.980 4.307 4.245 4.409 . 0 0 "[ . 1 . 2]" 1 784 1 29 ILE MG 1 37 TYR HA . . 4.420 3.544 3.311 3.748 . 0 0 "[ . 1 . 2]" 1 785 1 29 ILE MG 1 38 GLU H . . 4.000 3.120 2.869 3.401 . 0 0 "[ . 1 . 2]" 1 786 1 29 ILE MG 1 38 GLU HA . . 4.840 4.697 4.493 4.879 0.039 3 0 "[ . 1 . 2]" 1 787 1 29 ILE MG 1 38 GLU HB2 . . 3.730 2.846 2.577 3.292 . 0 0 "[ . 1 . 2]" 1 788 1 29 ILE MG 1 38 GLU HB3 . . 3.830 3.642 2.923 3.858 0.028 18 0 "[ . 1 . 2]" 1 789 1 30 SER H 1 30 SER HB3 . . 4.140 2.876 2.558 3.537 . 0 0 "[ . 1 . 2]" 1 790 1 30 SER H 1 31 GLY H . . 4.710 3.158 2.621 3.808 . 0 0 "[ . 1 . 2]" 1 791 1 30 SER H 1 31 GLY HA2 . . 5.500 4.317 4.026 4.875 . 0 0 "[ . 1 . 2]" 1 792 1 30 SER H 1 32 GLY H . . 5.310 5.148 4.916 5.325 0.015 2 0 "[ . 1 . 2]" 1 793 1 30 SER H 1 36 MET H . . 5.140 4.415 3.924 4.711 . 0 0 "[ . 1 . 2]" 1 794 1 30 SER H 1 36 MET QB . . 5.040 3.942 3.569 4.309 . 0 0 "[ . 1 . 2]" 1 795 1 30 SER H 1 37 TYR HA . . 5.200 5.025 4.768 5.229 0.029 2 0 "[ . 1 . 2]" 1 796 1 30 SER HA 1 31 GLY H . . 3.160 2.514 2.169 2.779 . 0 0 "[ . 1 . 2]" 1 797 1 30 SER HA 1 31 GLY HA3 . . 4.610 4.574 4.411 4.655 0.045 6 0 "[ . 1 . 2]" 1 798 1 30 SER HA 1 32 GLY H . . 3.590 3.401 3.014 3.615 0.025 20 0 "[ . 1 . 2]" 1 799 1 30 SER HA 1 34 GLY H . . 4.110 4.029 3.860 4.139 0.029 8 0 "[ . 1 . 2]" 1 800 1 30 SER HA 1 34 GLY HA2 . . 4.470 4.590 4.564 4.625 0.155 14 0 "[ . 1 . 2]" 1 801 1 30 SER HA 1 36 MET QB . . 4.430 3.673 3.156 3.983 . 0 0 "[ . 1 . 2]" 1 802 1 30 SER HB2 1 33 CYS QB . . 4.520 4.082 2.326 4.532 0.012 9 0 "[ . 1 . 2]" 1 803 1 30 SER HB2 1 35 ALA H . . 4.460 2.863 1.866 3.222 . 0 0 "[ . 1 . 2]" 1 804 1 30 SER HB2 1 35 ALA MB . . 4.050 3.817 3.455 4.076 0.026 3 0 "[ . 1 . 2]" 1 805 1 30 SER HB2 1 36 MET H . . 4.230 2.239 1.752 3.310 . 0 0 "[ . 1 . 2]" 1 806 1 30 SER HB2 1 36 MET QB . . 3.870 2.327 1.935 3.723 . 0 0 "[ . 1 . 2]" 1 807 1 30 SER HB3 1 34 GLY H . . 4.970 3.037 2.551 4.109 . 0 0 "[ . 1 . 2]" 1 808 1 30 SER HB3 1 35 ALA H . . 4.240 2.561 2.310 3.235 . 0 0 "[ . 1 . 2]" 1 809 1 30 SER HB3 1 35 ALA MB . . 4.110 4.075 3.845 4.145 0.035 18 0 "[ . 1 . 2]" 1 810 1 30 SER HB3 1 36 MET H . . 3.560 2.331 1.950 2.896 . 0 0 "[ . 1 . 2]" 1 811 1 30 SER HB3 1 36 MET QB . . 3.490 3.100 1.952 3.543 0.053 18 0 "[ . 1 . 2]" 1 812 1 30 SER HB3 1 36 MET ME . . 5.260 3.738 2.262 5.082 . 0 0 "[ . 1 . 2]" 1 813 1 31 GLY H 1 32 GLY H . . 5.210 3.043 2.406 3.230 . 0 0 "[ . 1 . 2]" 1 814 1 31 GLY HA3 1 34 GLY H . . 5.500 5.525 5.372 5.583 0.083 5 0 "[ . 1 . 2]" 1 815 1 32 GLY H 1 33 CYS H . . 3.800 2.238 1.846 2.792 . 0 0 "[ . 1 . 2]" 1 816 1 32 GLY H 1 33 CYS HB2 . . 5.110 4.284 3.445 4.859 . 0 0 "[ . 1 . 2]" 1 817 1 32 GLY H 1 33 CYS QB . . 5.170 3.961 3.392 4.476 . 0 0 "[ . 1 . 2]" 1 818 1 32 GLY H 1 34 GLY H . . 4.460 3.490 2.858 4.262 . 0 0 "[ . 1 . 2]" 1 819 1 32 GLY HA2 1 33 CYS QB . . 4.880 4.794 4.655 4.950 0.070 13 0 "[ . 1 . 2]" 1 820 1 33 CYS H 1 33 CYS HB2 . . 3.590 2.970 2.428 3.362 . 0 0 "[ . 1 . 2]" 1 821 1 33 CYS H 1 33 CYS QB . . 3.910 2.674 2.395 2.972 . 0 0 "[ . 1 . 2]" 1 822 1 33 CYS H 1 34 GLY H . . 3.690 1.800 1.693 1.923 . 0 0 "[ . 1 . 2]" 1 823 1 33 CYS H 1 34 GLY HA2 . . 4.310 3.920 3.807 4.044 . 0 0 "[ . 1 . 2]" 1 824 1 33 CYS HA 1 35 ALA H . . 4.930 4.782 4.541 4.992 0.062 16 0 "[ . 1 . 2]" 1 825 1 33 CYS QB 1 34 GLY H . . 5.020 2.849 2.514 3.217 . 0 0 "[ . 1 . 2]" 1 826 1 33 CYS QB 1 34 GLY HA2 . . 4.640 4.338 4.002 4.648 0.008 3 0 "[ . 1 . 2]" 1 827 1 33 CYS QB 1 35 ALA H . . 4.350 2.661 2.441 3.236 . 0 0 "[ . 1 . 2]" 1 828 1 33 CYS QB 1 35 ALA HA . . 4.890 4.670 4.273 4.932 0.042 16 0 "[ . 1 . 2]" 1 829 1 33 CYS QB 1 35 ALA MB . . 4.180 2.680 2.252 2.981 . 0 0 "[ . 1 . 2]" 1 830 1 33 CYS HB2 1 34 GLY H . . 4.800 3.637 2.845 4.189 . 0 0 "[ . 1 . 2]" 1 831 1 33 CYS HB2 1 35 ALA H . . 4.170 3.996 3.084 4.243 0.073 6 0 "[ . 1 . 2]" 1 832 1 34 GLY H 1 35 ALA H . . 3.470 2.744 2.502 3.018 . 0 0 "[ . 1 . 2]" 1 833 1 34 GLY H 1 35 ALA HA . . 5.500 5.375 5.176 5.527 0.027 16 0 "[ . 1 . 2]" 1 834 1 34 GLY H 1 35 ALA MB . . 5.470 4.307 4.099 4.538 . 0 0 "[ . 1 . 2]" 1 835 1 34 GLY HA2 1 35 ALA MB . . 4.660 4.534 4.440 4.630 . 0 0 "[ . 1 . 2]" 1 836 1 34 GLY HA2 1 36 MET H . . 4.990 3.536 3.139 4.018 . 0 0 "[ . 1 . 2]" 1 837 1 34 GLY HA2 1 37 TYR QE . . 4.400 4.217 4.001 4.417 0.017 8 0 "[ . 1 . 2]" 1 838 1 34 GLY HA3 1 36 MET H . . 5.500 4.848 4.383 5.303 . 0 0 "[ . 1 . 2]" 1 839 1 34 GLY HA3 1 37 TYR QE . . 4.580 4.292 3.856 4.590 0.010 7 0 "[ . 1 . 2]" 1 840 1 35 ALA H 1 35 ALA MB . . 3.160 2.286 2.186 2.466 . 0 0 "[ . 1 . 2]" 1 841 1 35 ALA H 1 36 MET H . . 3.150 2.335 2.039 2.538 . 0 0 "[ . 1 . 2]" 1 842 1 35 ALA H 1 36 MET HA . . 5.170 5.032 4.766 5.184 0.014 14 0 "[ . 1 . 2]" 1 843 1 35 ALA H 1 36 MET QB . . 5.500 4.188 3.257 4.593 . 0 0 "[ . 1 . 2]" 1 844 1 35 ALA H 1 36 MET HG3 . . 5.500 5.249 4.825 5.591 0.091 16 0 "[ . 1 . 2]" 1 845 1 35 ALA HA 1 37 TYR QD . . 5.350 4.659 4.086 5.029 . 0 0 "[ . 1 . 2]" 1 846 1 35 ALA HA 1 37 TYR QE . . 5.070 3.489 2.767 3.947 . 0 0 "[ . 1 . 2]" 1 847 1 35 ALA MB 1 36 MET H . . 3.770 3.041 2.607 3.626 . 0 0 "[ . 1 . 2]" 1 848 1 35 ALA MB 1 37 TYR QE . . 5.140 4.855 4.309 5.159 0.019 10 0 "[ . 1 . 2]" 1 849 1 35 ALA MB 1 70 HIS HD2 . . 4.940 4.878 4.596 4.965 0.025 9 0 "[ . 1 . 2]" 1 850 1 35 ALA MB 1 71 GLY HA2 . . 5.330 4.936 4.685 5.222 . 0 0 "[ . 1 . 2]" 1 851 1 36 MET H 1 36 MET QB . . 3.670 2.481 2.199 2.667 . 0 0 "[ . 1 . 2]" 1 852 1 36 MET H 1 36 MET ME . . 4.420 3.669 2.703 4.445 0.025 8 0 "[ . 1 . 2]" 1 853 1 36 MET H 1 36 MET HG3 . . 5.400 3.667 3.126 4.518 . 0 0 "[ . 1 . 2]" 1 854 1 36 MET H 1 37 TYR H . . 4.500 4.434 4.226 4.537 0.037 2 0 "[ . 1 . 2]" 1 855 1 36 MET H 1 71 GLY HA2 . . 5.500 5.535 5.449 5.599 0.099 14 0 "[ . 1 . 2]" 1 856 1 36 MET HA 1 37 TYR H . . 3.030 2.153 2.109 2.231 . 0 0 "[ . 1 . 2]" 1 857 1 36 MET HA 1 37 TYR QD . . 4.600 3.614 3.464 3.930 . 0 0 "[ . 1 . 2]" 1 858 1 36 MET HA 1 71 GLY H . . 4.550 4.446 4.162 4.567 0.017 2 0 "[ . 1 . 2]" 1 859 1 36 MET HA 1 71 GLY HA2 . . 4.770 3.374 3.030 3.611 . 0 0 "[ . 1 . 2]" 1 860 1 36 MET HA 1 71 GLY HA3 . . 4.860 2.354 2.046 2.531 . 0 0 "[ . 1 . 2]" 1 861 1 36 MET HA 1 72 LEU H . . 5.380 4.278 3.864 4.524 . 0 0 "[ . 1 . 2]" 1 862 1 36 MET HA 1 72 LEU HA . . 5.040 3.728 3.464 3.975 . 0 0 "[ . 1 . 2]" 1 863 1 36 MET HA 1 72 LEU MD1 . . 5.130 3.743 2.794 5.194 0.064 6 0 "[ . 1 . 2]" 1 864 1 36 MET HA 1 72 LEU MD2 . . 4.990 4.152 2.453 5.020 0.030 20 0 "[ . 1 . 2]" 1 865 1 36 MET QB 1 36 MET ME . . 2.890 2.285 2.059 2.878 . 0 0 "[ . 1 . 2]" 1 866 1 36 MET QB 1 37 TYR H . . 3.870 3.102 2.727 3.857 . 0 0 "[ . 1 . 2]" 1 867 1 36 MET QB 1 71 GLY HA3 . . 5.490 3.775 3.471 3.992 . 0 0 "[ . 1 . 2]" 1 868 1 36 MET ME 1 36 MET HG2 . . 3.760 2.995 2.119 3.440 . 0 0 "[ . 1 . 2]" 1 869 1 36 MET ME 1 71 GLY HA2 . . 4.610 4.318 3.883 4.632 0.022 10 0 "[ . 1 . 2]" 1 870 1 36 MET ME 1 71 GLY HA3 . . 4.770 4.647 4.259 4.851 0.081 2 0 "[ . 1 . 2]" 1 871 1 36 MET HG2 1 37 TYR H . . 4.720 4.053 3.148 4.762 0.042 13 0 "[ . 1 . 2]" 1 872 1 36 MET HG2 1 71 GLY HA2 . . 5.070 2.712 2.132 3.451 . 0 0 "[ . 1 . 2]" 1 873 1 36 MET HG2 1 71 GLY HA3 . . 5.140 3.353 2.865 3.927 . 0 0 "[ . 1 . 2]" 1 874 1 36 MET HG3 1 37 TYR H . . 4.960 4.338 4.074 4.646 . 0 0 "[ . 1 . 2]" 1 875 1 36 MET HG3 1 71 GLY HA2 . . 5.500 2.305 1.972 2.773 . 0 0 "[ . 1 . 2]" 1 876 1 36 MET HG3 1 72 LEU H . . 5.200 5.115 4.735 5.246 0.046 9 0 "[ . 1 . 2]" 1 877 1 37 TYR H 1 37 TYR HB3 . . 3.880 3.869 3.793 3.895 0.015 19 0 "[ . 1 . 2]" 1 878 1 37 TYR H 1 37 TYR QD . . 4.020 3.111 2.985 3.265 . 0 0 "[ . 1 . 2]" 1 879 1 37 TYR H 1 37 TYR QE . . 5.500 5.116 4.983 5.269 . 0 0 "[ . 1 . 2]" 1 880 1 37 TYR H 1 38 GLU H . . 5.270 4.313 4.262 4.372 . 0 0 "[ . 1 . 2]" 1 881 1 37 TYR H 1 71 GLY HA2 . . 5.460 4.684 4.383 4.965 . 0 0 "[ . 1 . 2]" 1 882 1 37 TYR H 1 72 LEU HA . . 3.460 2.337 2.073 2.562 . 0 0 "[ . 1 . 2]" 1 883 1 37 TYR H 1 72 LEU HB2 . . 5.500 4.910 4.537 5.238 . 0 0 "[ . 1 . 2]" 1 884 1 37 TYR H 1 72 LEU MD1 . . 4.350 3.534 2.865 4.389 0.039 3 0 "[ . 1 . 2]" 1 885 1 37 TYR H 1 72 LEU MD2 . . 3.960 3.218 1.807 3.984 0.024 5 0 "[ . 1 . 2]" 1 886 1 37 TYR H 1 73 ARG H . . 4.660 3.569 3.316 3.882 . 0 0 "[ . 1 . 2]" 1 887 1 37 TYR HA 1 37 TYR QD . . 3.650 3.111 3.047 3.187 . 0 0 "[ . 1 . 2]" 1 888 1 37 TYR HA 1 37 TYR QE . . 5.210 4.741 4.652 4.841 . 0 0 "[ . 1 . 2]" 1 889 1 37 TYR HA 1 38 GLU H . . 2.980 2.146 2.086 2.214 . 0 0 "[ . 1 . 2]" 1 890 1 37 TYR HA 1 72 LEU MD2 . . 5.500 4.578 3.775 5.020 . 0 0 "[ . 1 . 2]" 1 891 1 37 TYR HB2 1 38 GLU H . . 3.830 3.852 3.829 3.874 0.044 2 0 "[ . 1 . 2]" 1 892 1 37 TYR HB2 1 39 ILE MD . . 4.440 3.274 2.375 3.840 . 0 0 "[ . 1 . 2]" 1 893 1 37 TYR HB2 1 39 ILE HG12 . . 4.920 4.335 3.601 4.754 . 0 0 "[ . 1 . 2]" 1 894 1 37 TYR HB2 1 39 ILE HG13 . . 4.630 3.303 2.853 3.627 . 0 0 "[ . 1 . 2]" 1 895 1 37 TYR HB2 1 72 LEU HA . . 5.340 3.641 3.450 3.788 . 0 0 "[ . 1 . 2]" 1 896 1 37 TYR HB2 1 72 LEU MD2 . . 4.210 2.292 1.920 2.592 . 0 0 "[ . 1 . 2]" 1 897 1 37 TYR HB3 1 38 GLU H . . 4.420 2.772 2.705 2.836 . 0 0 "[ . 1 . 2]" 1 898 1 37 TYR HB3 1 39 ILE MD . . 4.260 3.744 2.991 4.265 0.005 5 0 "[ . 1 . 2]" 1 899 1 37 TYR HB3 1 39 ILE HG12 . . 5.030 3.846 2.971 4.292 . 0 0 "[ . 1 . 2]" 1 900 1 37 TYR HB3 1 72 LEU HA . . 4.730 4.849 4.767 4.927 0.197 3 0 "[ . 1 . 2]" 1 901 1 37 TYR HB3 1 72 LEU MD1 . . 4.670 4.702 4.678 4.723 0.053 1 0 "[ . 1 . 2]" 1 902 1 37 TYR HB3 1 72 LEU MD2 . . 3.790 3.517 3.210 3.789 . 0 0 "[ . 1 . 2]" 1 903 1 37 TYR QD 1 38 GLU H . . 4.280 3.971 3.883 4.052 . 0 0 "[ . 1 . 2]" 1 904 1 37 TYR QD 1 39 ILE MD . . 5.500 4.448 3.721 4.913 . 0 0 "[ . 1 . 2]" 1 905 1 37 TYR QD 1 66 ILE MD . . 5.500 4.823 4.073 6.397 0.897 1 2 "[+ . - 1 . 2]" 1 906 1 37 TYR QD 1 72 LEU HA . . 5.270 4.444 4.269 4.599 . 0 0 "[ . 1 . 2]" 1 907 1 37 TYR QD 1 72 LEU MD1 . . 4.380 2.646 2.059 3.638 . 0 0 "[ . 1 . 2]" 1 908 1 37 TYR QD 1 72 LEU MD2 . . 3.660 2.566 1.946 3.104 . 0 0 "[ . 1 . 2]" 1 909 1 37 TYR QD 1 72 LEU HG . . 4.860 3.320 2.598 4.458 . 0 0 "[ . 1 . 2]" 1 910 1 37 TYR QE 1 66 ILE MD . . 5.500 3.365 2.491 5.016 . 0 0 "[ . 1 . 2]" 1 911 1 37 TYR QE 1 72 LEU MD1 . . 4.810 4.020 3.343 4.877 0.067 7 0 "[ . 1 . 2]" 1 912 1 37 TYR QE 1 72 LEU MD2 . . 5.050 4.176 3.618 4.796 . 0 0 "[ . 1 . 2]" 1 913 1 38 GLU H 1 38 GLU HB2 . . 3.830 2.580 2.279 3.082 . 0 0 "[ . 1 . 2]" 1 914 1 38 GLU H 1 38 GLU HB3 . . 3.600 2.706 2.403 2.926 . 0 0 "[ . 1 . 2]" 1 915 1 38 GLU H 1 38 GLU HG2 . . 4.950 4.443 4.187 4.617 . 0 0 "[ . 1 . 2]" 1 916 1 38 GLU H 1 38 GLU HG3 . . 4.880 4.338 4.098 4.571 . 0 0 "[ . 1 . 2]" 1 917 1 38 GLU H 1 39 ILE H . . 4.920 4.523 4.404 4.602 . 0 0 "[ . 1 . 2]" 1 918 1 38 GLU H 1 72 LEU MD2 . . 5.500 5.158 4.544 5.512 0.012 16 0 "[ . 1 . 2]" 1 919 1 38 GLU H 1 73 ARG H . . 5.500 4.749 4.621 4.976 . 0 0 "[ . 1 . 2]" 1 920 1 38 GLU H 1 73 ARG QB . . 5.330 4.660 4.324 4.914 . 0 0 "[ . 1 . 2]" 1 921 1 38 GLU HA 1 38 GLU HG2 . . 3.800 2.779 2.523 3.290 . 0 0 "[ . 1 . 2]" 1 922 1 38 GLU HA 1 38 GLU HG3 . . 4.060 2.430 2.178 2.609 . 0 0 "[ . 1 . 2]" 1 923 1 38 GLU HA 1 39 ILE H . . 2.890 2.267 2.168 2.310 . 0 0 "[ . 1 . 2]" 1 924 1 38 GLU HA 1 39 ILE HB . . 4.810 4.647 4.312 4.801 . 0 0 "[ . 1 . 2]" 1 925 1 38 GLU HA 1 72 LEU HA . . 5.240 4.573 4.375 4.784 . 0 0 "[ . 1 . 2]" 1 926 1 38 GLU HA 1 73 ARG H . . 3.650 3.020 2.728 3.270 . 0 0 "[ . 1 . 2]" 1 927 1 38 GLU HA 1 73 ARG QB . . 3.280 2.384 2.117 2.553 . 0 0 "[ . 1 . 2]" 1 928 1 38 GLU HA 1 73 ARG HG2 . . 5.490 4.600 4.308 5.060 . 0 0 "[ . 1 . 2]" 1 929 1 38 GLU HA 1 73 ARG HG3 . . 5.500 5.407 5.159 5.561 0.061 7 0 "[ . 1 . 2]" 1 930 1 38 GLU HA 1 74 ILE HA . . 4.880 4.671 4.486 4.784 . 0 0 "[ . 1 . 2]" 1 931 1 38 GLU HA 1 75 PHE QD . . 5.460 4.286 3.992 5.451 . 0 0 "[ . 1 . 2]" 1 932 1 38 GLU HA 1 75 PHE QE . . 4.870 3.748 3.278 4.660 . 0 0 "[ . 1 . 2]" 1 933 1 38 GLU HB2 1 39 ILE H . . 4.630 4.457 4.209 4.646 0.016 6 0 "[ . 1 . 2]" 1 934 1 38 GLU HB2 1 73 ARG QB . . 4.270 3.759 2.690 4.254 . 0 0 "[ . 1 . 2]" 1 935 1 38 GLU HB2 1 75 PHE QE . . 5.030 4.722 4.073 5.045 0.015 19 0 "[ . 1 . 2]" 1 936 1 38 GLU HB3 1 39 ILE H . . 4.930 4.057 3.769 4.471 . 0 0 "[ . 1 . 2]" 1 937 1 38 GLU HB3 1 75 PHE QE . . 5.220 5.091 4.845 5.233 0.013 10 0 "[ . 1 . 2]" 1 938 1 38 GLU HG2 1 39 ILE H . . 4.280 3.041 2.594 3.565 . 0 0 "[ . 1 . 2]" 1 939 1 38 GLU HG2 1 73 ARG QB . . 4.630 3.907 3.558 4.643 0.013 20 0 "[ . 1 . 2]" 1 940 1 38 GLU HG2 1 75 PHE QD . . 4.010 3.334 2.819 4.035 0.025 20 0 "[ . 1 . 2]" 1 941 1 38 GLU HG2 1 75 PHE QE . . 3.680 2.983 2.606 3.721 0.041 12 0 "[ . 1 . 2]" 1 942 1 38 GLU HG3 1 39 ILE H . . 4.220 3.594 2.865 4.227 0.007 6 0 "[ . 1 . 2]" 1 943 1 38 GLU HG3 1 75 PHE QE . . 4.460 2.511 2.120 2.812 . 0 0 "[ . 1 . 2]" 1 944 1 39 ILE H 1 39 ILE HB . . 3.350 2.732 2.562 2.835 . 0 0 "[ . 1 . 2]" 1 945 1 39 ILE H 1 39 ILE MD . . 4.310 4.208 3.869 4.329 0.019 4 0 "[ . 1 . 2]" 1 946 1 39 ILE H 1 39 ILE HG12 . . 4.650 4.226 4.043 4.357 . 0 0 "[ . 1 . 2]" 1 947 1 39 ILE H 1 39 ILE HG13 . . 4.340 3.136 2.828 3.284 . 0 0 "[ . 1 . 2]" 1 948 1 39 ILE H 1 39 ILE MG . . 4.620 3.911 3.850 3.943 . 0 0 "[ . 1 . 2]" 1 949 1 39 ILE H 1 73 ARG H . . 4.490 3.893 3.604 4.209 . 0 0 "[ . 1 . 2]" 1 950 1 39 ILE H 1 73 ARG QB . . 4.690 3.689 3.472 3.884 . 0 0 "[ . 1 . 2]" 1 951 1 39 ILE H 1 74 ILE H . . 5.320 4.786 4.710 4.824 . 0 0 "[ . 1 . 2]" 1 952 1 39 ILE H 1 74 ILE HA . . 3.670 2.885 2.725 2.983 . 0 0 "[ . 1 . 2]" 1 953 1 39 ILE H 1 74 ILE HG13 . . 5.470 5.264 5.028 5.494 0.024 9 0 "[ . 1 . 2]" 1 954 1 39 ILE H 1 74 ILE MG . . 5.250 4.072 3.905 4.225 . 0 0 "[ . 1 . 2]" 1 955 1 39 ILE H 1 75 PHE H . . 4.470 3.989 3.879 4.097 . 0 0 "[ . 1 . 2]" 1 956 1 39 ILE H 1 75 PHE QD . . 4.670 3.005 2.762 4.450 . 0 0 "[ . 1 . 2]" 1 957 1 39 ILE H 1 75 PHE QE . . 5.130 3.865 3.614 4.580 . 0 0 "[ . 1 . 2]" 1 958 1 39 ILE HA 1 39 ILE MD . . 4.420 3.902 3.812 3.972 . 0 0 "[ . 1 . 2]" 1 959 1 39 ILE HA 1 39 ILE HG13 . . 4.070 2.993 2.947 3.056 . 0 0 "[ . 1 . 2]" 1 960 1 39 ILE HA 1 39 ILE MG . . 3.530 2.426 2.375 2.524 . 0 0 "[ . 1 . 2]" 1 961 1 39 ILE HA 1 40 LYS H . . 2.860 2.167 2.136 2.233 . 0 0 "[ . 1 . 2]" 1 962 1 39 ILE HA 1 40 LYS HA . . 5.280 4.486 4.414 4.529 . 0 0 "[ . 1 . 2]" 1 963 1 39 ILE HB 1 39 ILE MD . . 3.400 2.413 2.343 2.525 . 0 0 "[ . 1 . 2]" 1 964 1 39 ILE HB 1 40 LYS HA . . 5.500 4.919 4.623 5.071 . 0 0 "[ . 1 . 2]" 1 965 1 39 ILE HB 1 74 ILE HA . . 3.450 2.820 2.712 2.902 . 0 0 "[ . 1 . 2]" 1 966 1 39 ILE HB 1 74 ILE MD . . 3.940 3.565 3.124 3.942 0.002 2 0 "[ . 1 . 2]" 1 967 1 39 ILE HB 1 74 ILE HG12 . . 4.060 2.716 2.424 3.215 . 0 0 "[ . 1 . 2]" 1 968 1 39 ILE HB 1 74 ILE HG13 . . 5.160 4.394 4.154 4.814 . 0 0 "[ . 1 . 2]" 1 969 1 39 ILE HB 1 74 ILE MG . . 4.160 2.257 2.094 2.456 . 0 0 "[ . 1 . 2]" 1 970 1 39 ILE HB 1 75 PHE H . . 3.750 3.757 3.723 3.783 0.033 6 0 "[ . 1 . 2]" 1 971 1 39 ILE MD 1 39 ILE MG . . 2.400 2.073 2.048 2.113 . 0 0 "[ . 1 . 2]" 1 972 1 39 ILE MD 1 72 LEU MD2 . . 3.070 2.184 1.976 2.569 . 0 0 "[ . 1 . 2]" 1 973 1 39 ILE MD 1 74 ILE HG12 . . 3.940 2.807 2.585 3.079 . 0 0 "[ . 1 . 2]" 1 974 1 39 ILE MD 1 74 ILE MG . . 3.840 3.253 2.819 3.463 . 0 0 "[ . 1 . 2]" 1 975 1 39 ILE HG12 1 72 LEU MD2 . . 4.390 4.097 3.838 4.424 0.034 9 0 "[ . 1 . 2]" 1 976 1 39 ILE HG13 1 40 LYS H . . 5.020 5.044 5.014 5.071 0.051 2 0 "[ . 1 . 2]" 1 977 1 39 ILE MG 1 40 LYS H . . 3.620 2.652 2.584 2.788 . 0 0 "[ . 1 . 2]" 1 978 1 39 ILE MG 1 40 LYS HA . . 4.680 3.580 3.215 3.833 . 0 0 "[ . 1 . 2]" 1 979 1 39 ILE MG 1 41 ILE H . . 4.510 3.826 3.631 4.184 . 0 0 "[ . 1 . 2]" 1 980 1 39 ILE MG 1 41 ILE HA . . 5.500 4.537 4.320 4.869 . 0 0 "[ . 1 . 2]" 1 981 1 39 ILE MG 1 41 ILE MD . . 3.680 2.404 2.213 2.659 . 0 0 "[ . 1 . 2]" 1 982 1 39 ILE MG 1 41 ILE HG12 . . 3.540 2.587 2.391 2.868 . 0 0 "[ . 1 . 2]" 1 983 1 39 ILE MG 1 41 ILE HG13 . . 4.060 2.336 2.195 2.611 . 0 0 "[ . 1 . 2]" 1 984 1 39 ILE MG 1 74 ILE HG12 . . 4.480 4.010 3.709 4.399 . 0 0 "[ . 1 . 2]" 1 985 1 39 ILE MG 1 75 PHE H . . 4.670 3.714 3.522 3.960 . 0 0 "[ . 1 . 2]" 1 986 1 40 LYS H 1 40 LYS HB2 . . 3.450 2.635 2.502 3.240 . 0 0 "[ . 1 . 2]" 1 987 1 40 LYS H 1 40 LYS QB . . 3.370 2.552 2.465 2.828 . 0 0 "[ . 1 . 2]" 1 988 1 40 LYS H 1 40 LYS HG2 . . 4.570 4.559 4.496 4.624 0.054 18 0 "[ . 1 . 2]" 1 989 1 40 LYS H 1 40 LYS HG3 . . 5.490 3.659 3.400 5.122 . 0 0 "[ . 1 . 2]" 1 990 1 40 LYS H 1 41 ILE H . . 5.170 4.253 4.168 4.371 . 0 0 "[ . 1 . 2]" 1 991 1 40 LYS H 1 41 ILE HG12 . . 5.340 3.887 3.688 4.079 . 0 0 "[ . 1 . 2]" 1 992 1 40 LYS HA 1 40 LYS QD . . 4.910 4.006 3.488 4.093 . 0 0 "[ . 1 . 2]" 1 993 1 40 LYS HA 1 40 LYS HG2 . . 3.960 2.662 2.217 3.500 . 0 0 "[ . 1 . 2]" 1 994 1 40 LYS HA 1 40 LYS HG3 . . 3.840 2.705 2.518 3.370 . 0 0 "[ . 1 . 2]" 1 995 1 40 LYS HA 1 41 ILE H . . 2.860 2.082 2.027 2.136 . 0 0 "[ . 1 . 2]" 1 996 1 40 LYS HA 1 41 ILE HA . . 5.220 4.374 4.325 4.417 . 0 0 "[ . 1 . 2]" 1 997 1 40 LYS HA 1 74 ILE HA . . 4.880 4.481 4.200 4.573 . 0 0 "[ . 1 . 2]" 1 998 1 40 LYS HA 1 74 ILE MG . . 5.500 4.096 3.702 4.245 . 0 0 "[ . 1 . 2]" 1 999 1 40 LYS HA 1 75 PHE H . . 3.440 3.061 2.728 3.146 . 0 0 "[ . 1 . 2]" 1 1000 1 40 LYS HA 1 75 PHE HB2 . . 3.890 2.074 1.998 2.203 . 0 0 "[ . 1 . 2]" 1 1001 1 40 LYS HA 1 75 PHE HB3 . . 3.540 3.278 3.135 3.557 0.017 20 0 "[ . 1 . 2]" 1 1002 1 40 LYS HA 1 75 PHE QD . . 4.600 3.734 3.212 3.840 . 0 0 "[ . 1 . 2]" 1 1003 1 40 LYS HA 1 76 THR HA . . 4.760 4.724 4.522 4.784 0.024 2 0 "[ . 1 . 2]" 1 1004 1 40 LYS HA 1 76 THR MG . . 5.500 4.799 4.396 4.980 . 0 0 "[ . 1 . 2]" 1 1005 1 40 LYS QB 1 40 LYS QD . . 3.110 2.169 2.087 2.263 . 0 0 "[ . 1 . 2]" 1 1006 1 40 LYS QB 1 41 ILE H . . 4.220 3.469 3.067 3.855 . 0 0 "[ . 1 . 2]" 1 1007 1 40 LYS QB 1 75 PHE HB2 . . 4.630 3.511 2.364 3.802 . 0 0 "[ . 1 . 2]" 1 1008 1 40 LYS QB 1 75 PHE HB3 . . 4.570 4.095 3.316 4.474 . 0 0 "[ . 1 . 2]" 1 1009 1 40 LYS QB 1 75 PHE QD . . 4.530 4.409 2.404 4.771 0.241 2 0 "[ . 1 . 2]" 1 1010 1 40 LYS HE2 1 40 LYS HG2 . . 3.790 2.573 2.376 3.259 . 0 0 "[ . 1 . 2]" 1 1011 1 40 LYS HE2 1 75 PHE QD . . 5.210 4.070 3.378 5.096 . 0 0 "[ . 1 . 2]" 1 1012 1 40 LYS HE3 1 40 LYS HG2 . . 4.110 3.057 2.759 3.847 . 0 0 "[ . 1 . 2]" 1 1013 1 40 LYS HG2 1 75 PHE HB2 . . 4.540 2.445 2.243 3.478 . 0 0 "[ . 1 . 2]" 1 1014 1 40 LYS HG2 1 75 PHE HB3 . . 4.100 2.714 2.318 4.111 0.011 20 0 "[ . 1 . 2]" 1 1015 1 40 LYS HG2 1 75 PHE QD . . 4.400 3.581 3.325 4.172 . 0 0 "[ . 1 . 2]" 1 1016 1 40 LYS HG3 1 41 ILE H . . 5.410 4.644 3.779 4.873 . 0 0 "[ . 1 . 2]" 1 1017 1 40 LYS HG3 1 75 PHE H . . 4.970 4.270 3.898 5.002 0.032 18 0 "[ . 1 . 2]" 1 1018 1 40 LYS HG3 1 75 PHE HB2 . . 3.960 2.531 2.237 2.788 . 0 0 "[ . 1 . 2]" 1 1019 1 40 LYS HG3 1 75 PHE HB3 . . 3.640 3.529 2.473 3.671 0.031 5 0 "[ . 1 . 2]" 1 1020 1 40 LYS HG3 1 75 PHE QD . . 4.000 2.818 2.426 3.650 . 0 0 "[ . 1 . 2]" 1 1021 1 40 LYS HG3 1 75 PHE QE . . 5.210 4.423 4.062 5.246 0.036 18 0 "[ . 1 . 2]" 1 1022 1 41 ILE H 1 41 ILE HB . . 3.710 2.821 2.724 2.975 . 0 0 "[ . 1 . 2]" 1 1023 1 41 ILE H 1 41 ILE MD . . 4.970 4.300 4.219 4.421 . 0 0 "[ . 1 . 2]" 1 1024 1 41 ILE H 1 41 ILE HG12 . . 4.530 3.265 3.211 3.393 . 0 0 "[ . 1 . 2]" 1 1025 1 41 ILE H 1 41 ILE MG . . 3.890 3.941 3.921 3.979 0.089 9 0 "[ . 1 . 2]" 1 1026 1 41 ILE H 1 42 GLU H . . 5.190 4.444 4.410 4.483 . 0 0 "[ . 1 . 2]" 1 1027 1 41 ILE H 1 42 GLU HA . . 5.050 5.061 5.004 5.082 0.032 11 0 "[ . 1 . 2]" 1 1028 1 41 ILE H 1 46 PHE QE . . 5.330 5.312 5.149 5.345 0.015 4 0 "[ . 1 . 2]" 1 1029 1 41 ILE H 1 58 VAL MG1 . . 5.200 4.788 4.677 4.880 . 0 0 "[ . 1 . 2]" 1 1030 1 41 ILE H 1 74 ILE MG . . 4.760 4.087 3.964 4.260 . 0 0 "[ . 1 . 2]" 1 1031 1 41 ILE H 1 75 PHE H . . 4.200 3.859 3.762 3.936 . 0 0 "[ . 1 . 2]" 1 1032 1 41 ILE H 1 75 PHE HB2 . . 4.880 3.517 3.330 3.662 . 0 0 "[ . 1 . 2]" 1 1033 1 41 ILE H 1 75 PHE HB3 . . 4.610 4.124 3.881 4.404 . 0 0 "[ . 1 . 2]" 1 1034 1 41 ILE H 1 75 PHE QD . . 5.300 5.278 5.010 5.345 0.045 9 0 "[ . 1 . 2]" 1 1035 1 41 ILE H 1 76 THR HA . . 3.640 3.063 2.898 3.182 . 0 0 "[ . 1 . 2]" 1 1036 1 41 ILE H 1 76 THR MG . . 4.450 3.597 3.359 3.697 . 0 0 "[ . 1 . 2]" 1 1037 1 41 ILE HA 1 41 ILE MD . . 4.730 3.606 3.531 3.672 . 0 0 "[ . 1 . 2]" 1 1038 1 41 ILE HA 1 41 ILE HG13 . . 3.390 3.476 3.456 3.489 0.099 1 0 "[ . 1 . 2]" 1 1039 1 41 ILE HA 1 42 GLU H . . 2.880 2.388 2.338 2.433 . 0 0 "[ . 1 . 2]" 1 1040 1 41 ILE HA 1 42 GLU HA . . 5.400 4.653 4.603 4.691 . 0 0 "[ . 1 . 2]" 1 1041 1 41 ILE HA 1 42 GLU HB2 . . 5.070 4.641 4.518 4.758 . 0 0 "[ . 1 . 2]" 1 1042 1 41 ILE HA 1 42 GLU HB3 . . 4.780 4.523 4.369 4.601 . 0 0 "[ . 1 . 2]" 1 1043 1 41 ILE HA 1 46 PHE QE . . 5.260 4.860 4.683 5.014 . 0 0 "[ . 1 . 2]" 1 1044 1 41 ILE HA 1 58 VAL MG1 . . 5.500 5.401 5.319 5.505 0.005 11 0 "[ . 1 . 2]" 1 1045 1 41 ILE HB 1 42 GLU H . . 3.850 3.670 3.552 3.757 . 0 0 "[ . 1 . 2]" 1 1046 1 41 ILE HB 1 46 PHE QE . . 3.470 2.745 2.538 2.826 . 0 0 "[ . 1 . 2]" 1 1047 1 41 ILE HB 1 46 PHE HZ . . 4.130 3.890 3.710 4.101 . 0 0 "[ . 1 . 2]" 1 1048 1 41 ILE HB 1 58 VAL MG2 . . 4.950 3.310 3.083 3.533 . 0 0 "[ . 1 . 2]" 1 1049 1 41 ILE HB 1 74 ILE MG . . 5.500 4.262 4.070 4.499 . 0 0 "[ . 1 . 2]" 1 1050 1 41 ILE HB 1 76 THR HA . . 4.460 3.043 2.755 3.246 . 0 0 "[ . 1 . 2]" 1 1051 1 41 ILE HB 1 77 SER H . . 5.500 4.269 4.104 4.484 . 0 0 "[ . 1 . 2]" 1 1052 1 41 ILE MD 1 41 ILE MG . . 3.270 1.985 1.977 1.994 . 0 0 "[ . 1 . 2]" 1 1053 1 41 ILE MD 1 42 GLU H . . 5.410 4.667 4.572 4.730 . 0 0 "[ . 1 . 2]" 1 1054 1 41 ILE MD 1 46 PHE QD . . 5.500 5.614 5.376 5.754 0.254 20 0 "[ . 1 . 2]" 1 1055 1 41 ILE MD 1 46 PHE QE . . 4.260 3.707 3.449 3.877 . 0 0 "[ . 1 . 2]" 1 1056 1 41 ILE MD 1 46 PHE HZ . . 3.880 3.416 3.094 3.625 . 0 0 "[ . 1 . 2]" 1 1057 1 41 ILE MD 1 58 VAL HB . . 5.500 4.086 4.037 4.148 . 0 0 "[ . 1 . 2]" 1 1058 1 41 ILE MD 1 58 VAL MG1 . . 3.110 1.875 1.856 1.895 . 0 0 "[ . 1 . 2]" 1 1059 1 41 ILE MD 1 58 VAL MG2 . . 3.360 2.285 2.215 2.460 . 0 0 "[ . 1 . 2]" 1 1060 1 41 ILE HG12 1 46 PHE QE . . 5.340 5.282 5.141 5.358 0.018 20 0 "[ . 1 . 2]" 1 1061 1 41 ILE HG12 1 58 VAL MG1 . . 3.490 3.547 3.524 3.574 0.084 8 0 "[ . 1 . 2]" 1 1062 1 41 ILE HG12 1 75 PHE H . . 5.500 5.538 5.521 5.560 0.060 20 0 "[ . 1 . 2]" 1 1063 1 41 ILE MG 1 42 GLU H . . 3.950 2.091 1.988 2.173 . 0 0 "[ . 1 . 2]" 1 1064 1 41 ILE MG 1 42 GLU HA . . 4.840 3.428 3.280 3.607 . 0 0 "[ . 1 . 2]" 1 1065 1 41 ILE MG 1 43 SER H . . 5.500 4.040 3.772 4.346 . 0 0 "[ . 1 . 2]" 1 1066 1 41 ILE MG 1 43 SER HB2 . . 4.270 2.982 2.792 3.325 . 0 0 "[ . 1 . 2]" 1 1067 1 41 ILE MG 1 43 SER HB3 . . 4.520 3.782 3.574 4.118 . 0 0 "[ . 1 . 2]" 1 1068 1 41 ILE MG 1 46 PHE QD . . 4.410 3.669 3.494 3.806 . 0 0 "[ . 1 . 2]" 1 1069 1 41 ILE MG 1 46 PHE QE . . 3.300 2.112 2.048 2.186 . 0 0 "[ . 1 . 2]" 1 1070 1 41 ILE MG 1 46 PHE HZ . . 3.720 3.254 2.984 3.456 . 0 0 "[ . 1 . 2]" 1 1071 1 41 ILE MG 1 76 THR HA . . 4.550 4.177 3.913 4.354 . 0 0 "[ . 1 . 2]" 1 1072 1 41 ILE MG 1 77 SER H . . 5.170 4.408 4.166 4.655 . 0 0 "[ . 1 . 2]" 1 1073 1 42 GLU H 1 42 GLU HB2 . . 3.740 3.377 3.324 3.431 . 0 0 "[ . 1 . 2]" 1 1074 1 42 GLU H 1 42 GLU HB3 . . 3.850 2.798 2.681 2.893 . 0 0 "[ . 1 . 2]" 1 1075 1 42 GLU H 1 42 GLU HG2 . . 4.720 4.544 4.443 4.645 . 0 0 "[ . 1 . 2]" 1 1076 1 42 GLU H 1 42 GLU HG3 . . 5.000 4.857 4.785 4.908 . 0 0 "[ . 1 . 2]" 1 1077 1 42 GLU H 1 43 SER HA . . 5.500 4.757 4.657 4.889 . 0 0 "[ . 1 . 2]" 1 1078 1 42 GLU H 1 43 SER HB2 . . 5.500 3.935 3.770 4.065 . 0 0 "[ . 1 . 2]" 1 1079 1 42 GLU H 1 43 SER HB3 . . 5.500 5.117 4.892 5.266 . 0 0 "[ . 1 . 2]" 1 1080 1 42 GLU H 1 46 PHE QE . . 5.500 4.124 3.777 4.334 . 0 0 "[ . 1 . 2]" 1 1081 1 42 GLU H 1 76 THR HA . . 5.230 4.826 4.619 4.958 . 0 0 "[ . 1 . 2]" 1 1082 1 42 GLU HA 1 42 GLU HG2 . . 3.850 3.321 3.132 3.469 . 0 0 "[ . 1 . 2]" 1 1083 1 42 GLU HA 1 42 GLU HG3 . . 3.300 2.656 2.540 2.771 . 0 0 "[ . 1 . 2]" 1 1084 1 42 GLU HA 1 43 SER H . . 3.040 2.268 2.213 2.303 . 0 0 "[ . 1 . 2]" 1 1085 1 42 GLU HA 1 46 PHE QD . . 4.340 3.125 2.796 3.317 . 0 0 "[ . 1 . 2]" 1 1086 1 42 GLU HA 1 46 PHE QE . . 4.670 3.835 3.585 4.091 . 0 0 "[ . 1 . 2]" 1 1087 1 42 GLU HA 1 76 THR HA . . 4.600 3.578 3.484 3.666 . 0 0 "[ . 1 . 2]" 1 1088 1 42 GLU HA 1 76 THR MG . . 5.500 4.589 4.314 4.747 . 0 0 "[ . 1 . 2]" 1 1089 1 42 GLU HA 1 77 SER H . . 3.430 2.211 2.041 2.372 . 0 0 "[ . 1 . 2]" 1 1090 1 42 GLU HA 1 77 SER HB2 . . 5.430 4.361 3.944 4.966 . 0 0 "[ . 1 . 2]" 1 1091 1 42 GLU HA 1 77 SER HB3 . . 5.130 4.881 3.629 5.092 . 0 0 "[ . 1 . 2]" 1 1092 1 42 GLU HA 1 78 VAL H . . 5.230 4.857 4.555 4.998 . 0 0 "[ . 1 . 2]" 1 1093 1 42 GLU HA 1 78 VAL HA . . 4.340 3.970 3.849 4.079 . 0 0 "[ . 1 . 2]" 1 1094 1 42 GLU HA 1 78 VAL MG2 . . 5.500 5.552 5.523 5.579 0.079 1 0 "[ . 1 . 2]" 1 1095 1 42 GLU HA 1 79 PRO HD2 . . 5.500 5.493 5.269 5.569 0.069 3 0 "[ . 1 . 2]" 1 1096 1 42 GLU HA 1 79 PRO HD3 . . 5.120 4.389 4.119 4.611 . 0 0 "[ . 1 . 2]" 1 1097 1 42 GLU HB2 1 43 SER H . . 4.570 4.358 4.270 4.424 . 0 0 "[ . 1 . 2]" 1 1098 1 42 GLU HB3 1 76 THR HA . . 5.500 5.697 5.667 5.736 0.236 6 0 "[ . 1 . 2]" 1 1099 1 42 GLU HB3 1 77 SER H . . 5.250 4.826 4.463 5.063 . 0 0 "[ . 1 . 2]" 1 1100 1 42 GLU HG2 1 43 SER H . . 5.050 3.400 3.046 3.645 . 0 0 "[ . 1 . 2]" 1 1101 1 42 GLU HG2 1 78 VAL HA . . 4.940 3.600 3.223 3.972 . 0 0 "[ . 1 . 2]" 1 1102 1 42 GLU HG2 1 79 PRO HA . . 5.190 4.740 4.156 5.122 . 0 0 "[ . 1 . 2]" 1 1103 1 42 GLU HG2 1 79 PRO HD3 . . 4.460 2.311 2.070 2.493 . 0 0 "[ . 1 . 2]" 1 1104 1 42 GLU HG3 1 43 SER H . . 4.440 3.196 3.051 3.358 . 0 0 "[ . 1 . 2]" 1 1105 1 42 GLU HG3 1 77 SER HA . . 4.890 4.383 4.185 4.625 . 0 0 "[ . 1 . 2]" 1 1106 1 42 GLU HG3 1 77 SER HB2 . . 4.810 2.898 2.363 4.185 . 0 0 "[ . 1 . 2]" 1 1107 1 42 GLU HG3 1 77 SER HB3 . . 4.510 4.160 2.975 4.513 0.003 11 0 "[ . 1 . 2]" 1 1108 1 42 GLU HG3 1 78 VAL HA . . 4.120 3.016 2.910 3.133 . 0 0 "[ . 1 . 2]" 1 1109 1 42 GLU HG3 1 78 VAL MG1 . . 5.500 5.004 4.838 5.170 . 0 0 "[ . 1 . 2]" 1 1110 1 42 GLU HG3 1 79 PRO HA . . 4.860 4.795 4.309 4.939 0.079 10 0 "[ . 1 . 2]" 1 1111 1 42 GLU HG3 1 79 PRO HD3 . . 4.350 2.916 2.433 3.157 . 0 0 "[ . 1 . 2]" 1 1112 1 43 SER H 1 43 SER HB2 . . 3.860 3.342 3.224 3.384 . 0 0 "[ . 1 . 2]" 1 1113 1 43 SER H 1 43 SER HB3 . . 4.180 2.992 2.847 3.180 . 0 0 "[ . 1 . 2]" 1 1114 1 43 SER H 1 44 GLU H . . 5.240 4.323 4.224 4.377 . 0 0 "[ . 1 . 2]" 1 1115 1 43 SER H 1 46 PHE H . . 5.260 4.128 3.988 4.241 . 0 0 "[ . 1 . 2]" 1 1116 1 43 SER H 1 46 PHE HB3 . . 5.070 4.635 4.384 4.817 . 0 0 "[ . 1 . 2]" 1 1117 1 43 SER H 1 46 PHE QD . . 3.490 2.230 2.068 2.398 . 0 0 "[ . 1 . 2]" 1 1118 1 43 SER H 1 46 PHE QE . . 4.280 3.963 3.768 4.136 . 0 0 "[ . 1 . 2]" 1 1119 1 43 SER H 1 77 SER H . . 4.440 3.667 3.513 3.815 . 0 0 "[ . 1 . 2]" 1 1120 1 43 SER H 1 78 VAL H . . 5.450 4.730 4.526 4.887 . 0 0 "[ . 1 . 2]" 1 1121 1 43 SER H 1 78 VAL HA . . 3.720 2.572 2.426 2.748 . 0 0 "[ . 1 . 2]" 1 1122 1 43 SER H 1 78 VAL MG1 . . 5.500 4.995 4.837 5.167 . 0 0 "[ . 1 . 2]" 1 1123 1 43 SER H 1 78 VAL MG2 . . 4.620 3.892 3.842 3.931 . 0 0 "[ . 1 . 2]" 1 1124 1 43 SER H 1 79 PRO HD2 . . 4.530 3.683 3.441 3.882 . 0 0 "[ . 1 . 2]" 1 1125 1 43 SER H 1 79 PRO HD3 . . 3.960 3.156 2.736 3.436 . 0 0 "[ . 1 . 2]" 1 1126 1 43 SER HA 1 43 SER HB2 . . 2.990 2.562 2.507 2.657 . 0 0 "[ . 1 . 2]" 1 1127 1 43 SER HA 1 44 GLU H . . 3.090 2.184 2.088 2.287 . 0 0 "[ . 1 . 2]" 1 1128 1 43 SER HA 1 44 GLU HG2 . . 5.500 5.140 4.021 5.565 0.065 19 0 "[ . 1 . 2]" 1 1129 1 43 SER HA 1 45 GLU H . . 4.380 4.025 3.863 4.234 . 0 0 "[ . 1 . 2]" 1 1130 1 43 SER HA 1 46 PHE H . . 5.050 4.980 4.896 5.052 0.002 13 0 "[ . 1 . 2]" 1 1131 1 43 SER HB2 1 44 GLU H . . 4.440 4.100 3.945 4.258 . 0 0 "[ . 1 . 2]" 1 1132 1 43 SER HB2 1 45 GLU H . . 4.990 4.358 4.109 4.513 . 0 0 "[ . 1 . 2]" 1 1133 1 43 SER HB2 1 46 PHE H . . 4.970 5.042 5.007 5.070 0.100 12 0 "[ . 1 . 2]" 1 1134 1 43 SER HB2 1 46 PHE QD . . 4.780 3.635 3.459 3.780 . 0 0 "[ . 1 . 2]" 1 1135 1 43 SER HB2 1 46 PHE QE . . 4.730 3.579 3.153 3.867 . 0 0 "[ . 1 . 2]" 1 1136 1 43 SER HB3 1 44 GLU H . . 5.090 3.871 3.630 4.065 . 0 0 "[ . 1 . 2]" 1 1137 1 43 SER HB3 1 45 GLU H . . 4.620 3.174 2.977 3.372 . 0 0 "[ . 1 . 2]" 1 1138 1 43 SER HB3 1 45 GLU HB3 . . 5.020 4.532 4.221 4.850 . 0 0 "[ . 1 . 2]" 1 1139 1 43 SER HB3 1 45 GLU HG2 . . 4.830 2.405 2.219 2.626 . 0 0 "[ . 1 . 2]" 1 1140 1 43 SER HB3 1 45 GLU HG3 . . 4.960 3.957 3.724 4.204 . 0 0 "[ . 1 . 2]" 1 1141 1 43 SER HB3 1 46 PHE H . . 4.240 3.386 3.350 3.484 . 0 0 "[ . 1 . 2]" 1 1142 1 43 SER HB3 1 46 PHE QD . . 4.210 2.696 2.457 3.171 . 0 0 "[ . 1 . 2]" 1 1143 1 44 GLU H 1 44 GLU HB2 . . 3.400 2.513 1.937 3.485 0.085 5 0 "[ . 1 . 2]" 1 1144 1 44 GLU H 1 44 GLU HB3 . . 3.550 2.985 2.220 3.550 0.000 1 0 "[ . 1 . 2]" 1 1145 1 44 GLU H 1 44 GLU HG2 . . 4.210 3.316 2.085 3.902 . 0 0 "[ . 1 . 2]" 1 1146 1 44 GLU H 1 44 GLU HG3 . . 4.430 3.341 2.361 4.297 . 0 0 "[ . 1 . 2]" 1 1147 1 44 GLU H 1 45 GLU H . . 4.360 2.865 2.719 3.016 . 0 0 "[ . 1 . 2]" 1 1148 1 44 GLU H 1 45 GLU HA . . 5.500 5.448 5.352 5.547 0.047 20 0 "[ . 1 . 2]" 1 1149 1 44 GLU H 1 46 PHE H . . 5.500 4.524 4.430 4.631 . 0 0 "[ . 1 . 2]" 1 1150 1 44 GLU H 1 78 VAL MG2 . . 5.500 3.939 3.860 4.039 . 0 0 "[ . 1 . 2]" 1 1151 1 44 GLU H 1 79 PRO HD2 . . 4.750 3.210 2.996 3.391 . 0 0 "[ . 1 . 2]" 1 1152 1 44 GLU H 1 79 PRO HD3 . . 4.950 3.902 3.665 4.086 . 0 0 "[ . 1 . 2]" 1 1153 1 44 GLU H 1 79 PRO HG3 . . 4.860 3.613 3.277 3.951 . 0 0 "[ . 1 . 2]" 1 1154 1 44 GLU HA 1 44 GLU HB2 . . 2.830 2.682 2.235 2.952 0.122 14 0 "[ . 1 . 2]" 1 1155 1 44 GLU HA 1 44 GLU HB3 . . 3.000 2.696 2.442 3.029 0.029 17 0 "[ . 1 . 2]" 1 1156 1 44 GLU HA 1 44 GLU HG2 . . 3.700 2.761 2.173 3.779 0.079 11 0 "[ . 1 . 2]" 1 1157 1 44 GLU HA 1 44 GLU HG3 . . 3.890 3.332 2.747 3.765 . 0 0 "[ . 1 . 2]" 1 1158 1 44 GLU HA 1 46 PHE H . . 3.880 3.866 3.735 3.917 0.037 14 0 "[ . 1 . 2]" 1 1159 1 44 GLU HA 1 78 VAL HA . . 4.230 3.885 3.649 4.056 . 0 0 "[ . 1 . 2]" 1 1160 1 44 GLU HA 1 78 VAL MG1 . . 4.680 4.728 4.710 4.756 0.076 17 0 "[ . 1 . 2]" 1 1161 1 44 GLU HA 1 78 VAL MG2 . . 3.450 2.006 1.946 2.065 . 0 0 "[ . 1 . 2]" 1 1162 1 44 GLU HA 1 79 PRO HD2 . . 3.570 2.140 1.989 2.206 . 0 0 "[ . 1 . 2]" 1 1163 1 44 GLU HA 1 79 PRO HD3 . . 3.820 3.823 3.710 3.870 0.050 15 0 "[ . 1 . 2]" 1 1164 1 44 GLU HA 1 79 PRO HG3 . . 3.990 4.019 3.993 4.070 0.080 6 0 "[ . 1 . 2]" 1 1165 1 44 GLU HB2 1 45 GLU H . . 4.870 3.624 2.805 4.399 . 0 0 "[ . 1 . 2]" 1 1166 1 44 GLU HB2 1 79 PRO HD3 . . 5.480 5.357 4.873 5.568 0.088 3 0 "[ . 1 . 2]" 1 1167 1 44 GLU HB3 1 45 GLU H . . 5.080 3.671 2.970 4.311 . 0 0 "[ . 1 . 2]" 1 1168 1 44 GLU HG2 1 78 VAL MG2 . . 5.240 4.105 3.433 5.176 . 0 0 "[ . 1 . 2]" 1 1169 1 44 GLU HG3 1 45 GLU H . . 5.350 4.551 2.881 5.418 0.068 15 0 "[ . 1 . 2]" 1 1170 1 45 GLU H 1 45 GLU HG2 . . 4.520 2.418 2.290 2.537 . 0 0 "[ . 1 . 2]" 1 1171 1 45 GLU H 1 45 GLU HG3 . . 3.870 3.812 3.719 3.879 0.009 6 0 "[ . 1 . 2]" 1 1172 1 45 GLU H 1 46 PHE H . . 3.720 2.712 2.459 2.906 . 0 0 "[ . 1 . 2]" 1 1173 1 45 GLU H 1 47 LYS H . . 5.450 4.854 4.686 4.990 . 0 0 "[ . 1 . 2]" 1 1174 1 45 GLU HA 1 45 GLU HB3 . . 2.890 2.505 2.387 2.561 . 0 0 "[ . 1 . 2]" 1 1175 1 45 GLU HA 1 45 GLU HG2 . . 3.600 3.650 3.613 3.662 0.062 4 0 "[ . 1 . 2]" 1 1176 1 45 GLU HA 1 45 GLU HG3 . . 4.090 3.838 3.753 4.119 0.029 20 0 "[ . 1 . 2]" 1 1177 1 45 GLU HA 1 47 LYS H . . 4.320 3.708 3.436 3.921 . 0 0 "[ . 1 . 2]" 1 1178 1 45 GLU HB2 1 46 PHE H . . 4.980 4.306 4.115 4.372 . 0 0 "[ . 1 . 2]" 1 1179 1 45 GLU HG2 1 46 PHE H . . 5.250 2.599 2.470 2.709 . 0 0 "[ . 1 . 2]" 1 1180 1 45 GLU HG2 1 46 PHE HB2 . . 4.090 3.936 3.854 4.055 . 0 0 "[ . 1 . 2]" 1 1181 1 45 GLU HG2 1 46 PHE HB3 . . 4.940 5.017 4.984 5.042 0.102 8 0 "[ . 1 . 2]" 1 1182 1 45 GLU HG2 1 46 PHE QD . . 3.940 3.707 3.643 3.809 . 0 0 "[ . 1 . 2]" 1 1183 1 45 GLU HG2 1 46 PHE QE . . 5.300 4.453 4.291 4.645 . 0 0 "[ . 1 . 2]" 1 1184 1 45 GLU HG2 1 57 MET ME . . 4.950 3.622 3.311 3.812 . 0 0 "[ . 1 . 2]" 1 1185 1 45 GLU HG3 1 46 PHE H . . 4.400 3.639 3.491 3.996 . 0 0 "[ . 1 . 2]" 1 1186 1 45 GLU HG3 1 46 PHE QD . . 5.500 3.745 3.494 4.187 . 0 0 "[ . 1 . 2]" 1 1187 1 46 PHE H 1 46 PHE HB2 . . 3.870 2.174 2.109 2.254 . 0 0 "[ . 1 . 2]" 1 1188 1 46 PHE H 1 46 PHE HB3 . . 3.610 3.472 3.431 3.526 . 0 0 "[ . 1 . 2]" 1 1189 1 46 PHE H 1 46 PHE QD . . 4.110 3.456 3.372 3.560 . 0 0 "[ . 1 . 2]" 1 1190 1 46 PHE H 1 47 LYS H . . 3.220 2.954 2.697 3.140 . 0 0 "[ . 1 . 2]" 1 1191 1 46 PHE H 1 47 LYS HA . . 5.050 5.053 4.903 5.125 0.075 16 0 "[ . 1 . 2]" 1 1192 1 46 PHE H 1 47 LYS QB . . 5.000 4.765 4.521 4.890 . 0 0 "[ . 1 . 2]" 1 1193 1 46 PHE H 1 47 LYS QG . . 5.200 4.189 3.986 4.451 . 0 0 "[ . 1 . 2]" 1 1194 1 46 PHE H 1 78 VAL MG1 . . 4.450 4.455 4.385 4.491 0.041 1 0 "[ . 1 . 2]" 1 1195 1 46 PHE H 1 78 VAL MG2 . . 4.390 2.837 2.721 2.951 . 0 0 "[ . 1 . 2]" 1 1196 1 46 PHE HA 1 46 PHE QD . . 2.910 2.166 2.103 2.229 . 0 0 "[ . 1 . 2]" 1 1197 1 46 PHE HA 1 47 LYS HA . . 5.210 4.769 4.630 4.891 . 0 0 "[ . 1 . 2]" 1 1198 1 46 PHE HA 1 49 LYS HB2 . . 4.050 3.293 2.934 3.824 . 0 0 "[ . 1 . 2]" 1 1199 1 46 PHE HA 1 49 LYS HG2 . . 4.240 3.159 2.830 3.551 . 0 0 "[ . 1 . 2]" 1 1200 1 46 PHE HA 1 57 MET ME . . 4.930 3.748 3.127 4.275 . 0 0 "[ . 1 . 2]" 1 1201 1 46 PHE HB2 1 47 LYS H . . 4.860 3.944 3.655 4.076 . 0 0 "[ . 1 . 2]" 1 1202 1 46 PHE HB2 1 49 LYS HB2 . . 5.500 5.306 4.752 5.531 0.031 12 0 "[ . 1 . 2]" 1 1203 1 46 PHE HB2 1 78 VAL MG1 . . 4.080 3.658 3.552 3.743 . 0 0 "[ . 1 . 2]" 1 1204 1 46 PHE HB2 1 78 VAL MG2 . . 4.320 3.148 2.909 3.294 . 0 0 "[ . 1 . 2]" 1 1205 1 46 PHE HB3 1 47 LYS H . . 4.410 4.285 4.127 4.404 . 0 0 "[ . 1 . 2]" 1 1206 1 46 PHE HB3 1 54 GLN HA . . 5.320 4.749 4.574 4.881 . 0 0 "[ . 1 . 2]" 1 1207 1 46 PHE HB3 1 54 GLN HB3 . . 4.130 4.088 3.867 4.170 0.040 8 0 "[ . 1 . 2]" 1 1208 1 46 PHE HB3 1 78 VAL HA . . 4.780 4.660 4.294 4.806 0.026 7 0 "[ . 1 . 2]" 1 1209 1 46 PHE HB3 1 78 VAL MG1 . . 3.610 3.632 3.500 3.656 0.046 12 0 "[ . 1 . 2]" 1 1210 1 46 PHE HB3 1 78 VAL MG2 . . 4.160 4.060 3.855 4.191 0.031 18 0 "[ . 1 . 2]" 1 1211 1 46 PHE QD 1 49 LYS HB2 . . 4.920 3.529 3.245 4.015 . 0 0 "[ . 1 . 2]" 1 1212 1 46 PHE QD 1 49 LYS HD2 . . 5.250 4.472 4.133 4.912 . 0 0 "[ . 1 . 2]" 1 1213 1 46 PHE QD 1 54 GLN H . . 5.170 5.034 4.801 5.178 0.008 14 0 "[ . 1 . 2]" 1 1214 1 46 PHE QD 1 54 GLN HA . . 3.800 2.664 2.425 2.941 . 0 0 "[ . 1 . 2]" 1 1215 1 46 PHE QD 1 54 GLN HB2 . . 5.500 4.720 4.526 4.928 . 0 0 "[ . 1 . 2]" 1 1216 1 46 PHE QD 1 54 GLN HB3 . . 4.650 3.569 3.345 3.781 . 0 0 "[ . 1 . 2]" 1 1217 1 46 PHE QD 1 54 GLN QG . . 3.910 2.386 2.219 2.696 . 0 0 "[ . 1 . 2]" 1 1218 1 46 PHE QD 1 57 MET HB3 . . 5.500 5.354 5.144 5.511 0.011 13 0 "[ . 1 . 2]" 1 1219 1 46 PHE QD 1 57 MET ME . . 4.150 2.993 2.293 3.477 . 0 0 "[ . 1 . 2]" 1 1220 1 46 PHE QD 1 76 THR HA . . 4.700 4.558 4.410 4.714 0.014 4 0 "[ . 1 . 2]" 1 1221 1 46 PHE QD 1 76 THR HB . . 4.110 3.604 3.372 3.807 . 0 0 "[ . 1 . 2]" 1 1222 1 46 PHE QD 1 76 THR MG . . 4.550 3.841 3.594 4.143 . 0 0 "[ . 1 . 2]" 1 1223 1 46 PHE QD 1 77 SER H . . 4.000 3.385 3.167 3.787 . 0 0 "[ . 1 . 2]" 1 1224 1 46 PHE QD 1 78 VAL H . . 5.500 5.414 5.235 5.508 0.008 19 0 "[ . 1 . 2]" 1 1225 1 46 PHE QD 1 78 VAL MG1 . . 5.200 4.891 4.724 4.979 . 0 0 "[ . 1 . 2]" 1 1226 1 46 PHE QD 1 78 VAL MG2 . . 4.560 4.437 4.205 4.613 0.053 16 0 "[ . 1 . 2]" 1 1227 1 46 PHE QD 1 79 PRO HD2 . . 5.500 5.335 5.095 5.497 . 0 0 "[ . 1 . 2]" 1 1228 1 46 PHE QD 1 79 PRO HD3 . . 5.440 5.229 4.704 5.461 0.021 4 0 "[ . 1 . 2]" 1 1229 1 46 PHE QE 1 54 GLN HA . . 4.100 2.567 2.308 2.873 . 0 0 "[ . 1 . 2]" 1 1230 1 46 PHE QE 1 57 MET H . . 4.960 4.013 3.827 4.194 . 0 0 "[ . 1 . 2]" 1 1231 1 46 PHE QE 1 57 MET HB2 . . 4.320 2.225 2.108 2.314 . 0 0 "[ . 1 . 2]" 1 1232 1 46 PHE QE 1 57 MET HB3 . . 4.390 3.467 3.196 3.728 . 0 0 "[ . 1 . 2]" 1 1233 1 46 PHE QE 1 57 MET ME . . 4.120 2.647 2.207 2.903 . 0 0 "[ . 1 . 2]" 1 1234 1 46 PHE QE 1 57 MET HG2 . . 4.230 4.248 4.133 4.273 0.043 11 0 "[ . 1 . 2]" 1 1235 1 46 PHE QE 1 57 MET HG3 . . 3.770 3.247 2.526 3.743 . 0 0 "[ . 1 . 2]" 1 1236 1 46 PHE QE 1 58 VAL MG1 . . 5.500 4.762 4.692 4.883 . 0 0 "[ . 1 . 2]" 1 1237 1 46 PHE QE 1 58 VAL MG2 . . 3.800 3.026 2.898 3.196 . 0 0 "[ . 1 . 2]" 1 1238 1 46 PHE QE 1 76 THR HA . . 4.310 4.104 3.908 4.268 . 0 0 "[ . 1 . 2]" 1 1239 1 46 PHE QE 1 76 THR MG . . 3.830 2.805 2.511 3.063 . 0 0 "[ . 1 . 2]" 1 1240 1 46 PHE QE 1 77 SER H . . 4.200 4.094 3.798 4.206 0.006 9 0 "[ . 1 . 2]" 1 1241 1 46 PHE HZ 1 54 GLN HA . . 5.440 4.610 4.350 5.001 . 0 0 "[ . 1 . 2]" 1 1242 1 46 PHE HZ 1 57 MET HB2 . . 5.000 3.363 3.133 3.593 . 0 0 "[ . 1 . 2]" 1 1243 1 46 PHE HZ 1 57 MET ME . . 5.500 3.910 3.596 4.205 . 0 0 "[ . 1 . 2]" 1 1244 1 46 PHE HZ 1 58 VAL HA . . 5.450 4.567 4.396 4.738 . 0 0 "[ . 1 . 2]" 1 1245 1 46 PHE HZ 1 58 VAL MG1 . . 5.190 4.165 4.066 4.307 . 0 0 "[ . 1 . 2]" 1 1246 1 46 PHE HZ 1 58 VAL MG2 . . 3.500 2.112 2.043 2.229 . 0 0 "[ . 1 . 2]" 1 1247 1 46 PHE HZ 1 76 THR HA . . 5.500 5.491 5.400 5.525 0.025 6 0 "[ . 1 . 2]" 1 1248 1 46 PHE HZ 1 76 THR HB . . 5.240 4.540 4.344 4.798 . 0 0 "[ . 1 . 2]" 1 1249 1 46 PHE HZ 1 76 THR MG . . 3.910 2.939 2.771 3.109 . 0 0 "[ . 1 . 2]" 1 1250 1 47 LYS H 1 47 LYS QB . . 2.980 2.768 2.610 2.943 . 0 0 "[ . 1 . 2]" 1 1251 1 47 LYS H 1 47 LYS QG . . 4.030 1.941 1.785 2.113 . 0 0 "[ . 1 . 2]" 1 1252 1 47 LYS H 1 48 GLU H . . 4.590 2.697 2.379 2.932 . 0 0 "[ . 1 . 2]" 1 1253 1 47 LYS H 1 49 LYS QE . . 5.370 5.388 5.299 5.422 0.052 16 0 "[ . 1 . 2]" 1 1254 1 47 LYS H 1 78 VAL MG1 . . 4.300 3.719 3.403 4.015 . 0 0 "[ . 1 . 2]" 1 1255 1 47 LYS H 1 78 VAL MG2 . . 4.070 2.591 2.350 2.953 . 0 0 "[ . 1 . 2]" 1 1256 1 47 LYS HA 1 47 LYS QG . . 3.380 3.375 3.319 3.419 0.039 7 0 "[ . 1 . 2]" 1 1257 1 47 LYS HA 1 78 VAL MG1 . . 3.530 2.085 1.977 2.244 . 0 0 "[ . 1 . 2]" 1 1258 1 47 LYS HA 1 78 VAL MG2 . . 3.470 2.905 2.434 3.291 . 0 0 "[ . 1 . 2]" 1 1259 1 47 LYS QB 1 47 LYS HE2 . . 4.630 3.935 3.764 4.266 . 0 0 "[ . 1 . 2]" 1 1260 1 47 LYS QB 1 47 LYS HE3 . . 4.370 4.068 3.904 4.309 . 0 0 "[ . 1 . 2]" 1 1261 1 47 LYS QB 1 48 GLU H . . 4.470 3.480 3.218 3.828 . 0 0 "[ . 1 . 2]" 1 1262 1 47 LYS QB 1 78 VAL MG2 . . 3.750 2.105 1.978 2.255 . 0 0 "[ . 1 . 2]" 1 1263 1 47 LYS QB 1 80 LYS QE . . 4.780 2.640 2.119 3.787 . 0 0 "[ . 1 . 2]" 1 1264 1 47 LYS HD2 1 48 GLU HB3 . . 4.390 4.300 3.590 4.459 0.069 18 0 "[ . 1 . 2]" 1 1265 1 47 LYS HD2 1 80 LYS QE . . 3.900 3.845 3.278 3.937 0.037 3 0 "[ . 1 . 2]" 1 1266 1 47 LYS HD3 1 80 LYS QE . . 4.190 3.244 2.504 3.795 . 0 0 "[ . 1 . 2]" 1 1267 1 47 LYS HE2 1 47 LYS QG . . 3.740 2.353 2.077 3.265 . 0 0 "[ . 1 . 2]" 1 1268 1 47 LYS HE2 1 48 GLU H . . 5.500 4.963 3.848 5.559 0.059 1 0 "[ . 1 . 2]" 1 1269 1 47 LYS HE3 1 47 LYS QG . . 3.720 2.394 2.045 3.166 . 0 0 "[ . 1 . 2]" 1 1270 1 47 LYS HE3 1 48 GLU HB3 . . 4.630 4.418 3.631 4.688 0.058 12 0 "[ . 1 . 2]" 1 1271 1 47 LYS HE3 1 78 VAL MG2 . . 5.300 5.297 5.023 5.371 0.071 4 0 "[ . 1 . 2]" 1 1272 1 47 LYS QG 1 48 GLU H . . 5.500 2.383 1.963 3.330 . 0 0 "[ . 1 . 2]" 1 1273 1 47 LYS QG 1 48 GLU HB2 . . 4.840 4.029 2.913 4.703 . 0 0 "[ . 1 . 2]" 1 1274 1 47 LYS QG 1 48 GLU QG . . 4.240 4.226 2.605 6.206 1.966 7 10 "[ ***.*+ * -*.** 2]" 1 1275 1 47 LYS QG 1 78 VAL MG2 . . 4.180 2.990 2.524 3.653 . 0 0 "[ . 1 . 2]" 1 1276 1 48 GLU H 1 48 GLU QG . . 4.850 3.124 1.858 4.134 . 0 0 "[ . 1 . 2]" 1 1277 1 48 GLU H 1 48 GLU HG3 . . 5.500 3.925 2.700 4.714 . 0 0 "[ . 1 . 2]" 1 1278 1 48 GLU H 1 49 LYS H . . 3.720 2.879 2.233 3.294 . 0 0 "[ . 1 . 2]" 1 1279 1 48 GLU HA 1 48 GLU QG . . 3.670 2.895 2.231 3.478 . 0 0 "[ . 1 . 2]" 1 1280 1 48 GLU HA 1 49 LYS H . . 3.510 2.927 2.631 3.476 . 0 0 "[ . 1 . 2]" 1 1281 1 48 GLU HB2 1 49 LYS H . . 4.930 4.495 4.187 4.609 . 0 0 "[ . 1 . 2]" 1 1282 1 48 GLU QG 1 49 LYS HA . . 5.380 4.576 4.084 4.975 . 0 0 "[ . 1 . 2]" 1 1283 1 49 LYS H 1 49 LYS HB2 . . 3.440 2.613 2.450 2.723 . 0 0 "[ . 1 . 2]" 1 1284 1 49 LYS H 1 49 LYS HB3 . . 3.800 3.755 3.589 3.817 0.017 2 0 "[ . 1 . 2]" 1 1285 1 49 LYS H 1 49 LYS HG2 . . 4.080 2.848 2.072 3.165 . 0 0 "[ . 1 . 2]" 1 1286 1 49 LYS H 1 49 LYS HG3 . . 4.190 4.071 3.552 4.260 0.070 16 0 "[ . 1 . 2]" 1 1287 1 49 LYS H 1 50 ARG H . . 5.430 4.443 4.322 4.717 . 0 0 "[ . 1 . 2]" 1 1288 1 49 LYS HA 1 49 LYS HD2 . . 4.140 3.554 3.373 3.852 . 0 0 "[ . 1 . 2]" 1 1289 1 49 LYS HA 1 49 LYS HD3 . . 3.210 2.198 2.049 2.353 . 0 0 "[ . 1 . 2]" 1 1290 1 49 LYS HA 1 49 LYS HG3 . . 4.060 3.860 3.781 3.988 . 0 0 "[ . 1 . 2]" 1 1291 1 49 LYS HA 1 50 ARG H . . 3.010 2.148 2.070 2.247 . 0 0 "[ . 1 . 2]" 1 1292 1 49 LYS HA 1 50 ARG HA . . 4.410 4.444 4.412 4.474 0.064 16 0 "[ . 1 . 2]" 1 1293 1 49 LYS HA 1 50 ARG HG3 . . 5.240 4.465 3.807 5.284 0.044 3 0 "[ . 1 . 2]" 1 1294 1 49 LYS HA 1 53 GLN H . . 5.500 5.165 4.981 5.450 . 0 0 "[ . 1 . 2]" 1 1295 1 49 LYS HA 1 53 GLN HB2 . . 4.080 2.872 2.642 3.285 . 0 0 "[ . 1 . 2]" 1 1296 1 49 LYS HA 1 53 GLN HE22 . . 3.920 3.278 2.948 3.978 0.058 12 0 "[ . 1 . 2]" 1 1297 1 49 LYS HB2 1 50 ARG H . . 4.510 4.129 4.003 4.257 . 0 0 "[ . 1 . 2]" 1 1298 1 49 LYS HB2 1 54 GLN QG . . 3.770 2.206 2.081 2.379 . 0 0 "[ . 1 . 2]" 1 1299 1 49 LYS HB3 1 49 LYS HD3 . . 3.530 2.833 2.705 2.988 . 0 0 "[ . 1 . 2]" 1 1300 1 49 LYS HB3 1 50 ARG H . . 4.750 3.170 3.010 3.312 . 0 0 "[ . 1 . 2]" 1 1301 1 49 LYS HB3 1 53 GLN HB2 . . 3.870 2.433 2.293 2.611 . 0 0 "[ . 1 . 2]" 1 1302 1 49 LYS HB3 1 53 GLN HB3 . . 3.910 3.166 2.522 3.574 . 0 0 "[ . 1 . 2]" 1 1303 1 49 LYS HB3 1 54 GLN H . . 4.330 2.982 2.771 3.260 . 0 0 "[ . 1 . 2]" 1 1304 1 49 LYS HB3 1 54 GLN QG . . 3.700 2.446 2.282 2.641 . 0 0 "[ . 1 . 2]" 1 1305 1 49 LYS HD2 1 50 ARG H . . 5.500 4.808 4.518 5.307 . 0 0 "[ . 1 . 2]" 1 1306 1 49 LYS HD2 1 53 GLN HB2 . . 5.120 3.389 3.011 4.141 . 0 0 "[ . 1 . 2]" 1 1307 1 49 LYS HD2 1 54 GLN QG . . 4.570 4.472 4.156 4.615 0.045 2 0 "[ . 1 . 2]" 1 1308 1 49 LYS HD3 1 53 GLN HA . . 5.300 5.133 4.751 5.325 0.025 6 0 "[ . 1 . 2]" 1 1309 1 49 LYS HD3 1 53 GLN HB2 . . 4.070 3.176 2.839 3.618 . 0 0 "[ . 1 . 2]" 1 1310 1 49 LYS HD3 1 53 GLN HB3 . . 3.280 2.778 2.498 2.940 . 0 0 "[ . 1 . 2]" 1 1311 1 49 LYS HD3 1 53 GLN HE22 . . 5.300 3.530 2.971 4.982 . 0 0 "[ . 1 . 2]" 1 1312 1 49 LYS HD3 1 53 GLN HG2 . . 5.290 5.138 4.638 5.305 0.015 20 0 "[ . 1 . 2]" 1 1313 1 49 LYS QE 1 49 LYS HG2 . . 3.300 2.178 2.070 2.286 . 0 0 "[ . 1 . 2]" 1 1314 1 49 LYS QE 1 49 LYS HG3 . . 3.600 2.576 2.276 3.246 . 0 0 "[ . 1 . 2]" 1 1315 1 49 LYS QE 1 50 ARG H . . 5.500 5.539 5.308 5.578 0.078 18 0 "[ . 1 . 2]" 1 1316 1 49 LYS QE 1 53 GLN HE21 . . 5.500 5.167 4.292 5.506 0.006 13 0 "[ . 1 . 2]" 1 1317 1 49 LYS HG2 1 50 ARG H . . 5.490 5.118 4.942 5.280 . 0 0 "[ . 1 . 2]" 1 1318 1 49 LYS HG2 1 54 GLN QG . . 4.720 4.082 3.900 4.386 . 0 0 "[ . 1 . 2]" 1 1319 1 49 LYS HG3 1 50 ARG H . . 5.390 5.377 5.221 5.433 0.043 2 0 "[ . 1 . 2]" 1 1320 1 50 ARG H 1 50 ARG HB2 . . 3.970 2.697 2.544 2.809 . 0 0 "[ . 1 . 2]" 1 1321 1 50 ARG H 1 50 ARG HB3 . . 3.250 3.450 3.434 3.471 0.221 16 0 "[ . 1 . 2]" 1 1322 1 50 ARG H 1 50 ARG QD . . 4.700 3.709 2.791 4.082 . 0 0 "[ . 1 . 2]" 1 1323 1 50 ARG H 1 50 ARG HG2 . . 3.610 2.456 1.830 3.060 . 0 0 "[ . 1 . 2]" 1 1324 1 50 ARG H 1 50 ARG HG3 . . 3.830 2.639 2.097 3.416 . 0 0 "[ . 1 . 2]" 1 1325 1 50 ARG H 1 52 VAL QG . . 5.500 4.288 4.121 4.386 . 0 0 "[ . 1 . 2]" 1 1326 1 50 ARG H 1 53 GLN H . . 4.690 3.674 3.482 3.848 . 0 0 "[ . 1 . 2]" 1 1327 1 50 ARG H 1 53 GLN HB2 . . 3.980 2.236 2.128 2.495 . 0 0 "[ . 1 . 2]" 1 1328 1 50 ARG H 1 53 GLN HB3 . . 4.410 3.755 3.578 4.016 . 0 0 "[ . 1 . 2]" 1 1329 1 50 ARG H 1 53 GLN HE21 . . 5.500 4.611 3.723 5.522 0.022 20 0 "[ . 1 . 2]" 1 1330 1 50 ARG H 1 53 GLN HE22 . . 5.380 2.982 2.592 3.807 . 0 0 "[ . 1 . 2]" 1 1331 1 50 ARG H 1 53 GLN HG2 . . 4.390 4.403 4.313 4.447 0.057 19 0 "[ . 1 . 2]" 1 1332 1 50 ARG H 1 53 GLN HG3 . . 4.950 2.912 2.759 3.056 . 0 0 "[ . 1 . 2]" 1 1333 1 50 ARG HA 1 50 ARG QD . . 3.730 3.372 2.302 3.775 0.045 19 0 "[ . 1 . 2]" 1 1334 1 50 ARG HA 1 50 ARG HG2 . . 3.680 2.969 2.595 3.578 . 0 0 "[ . 1 . 2]" 1 1335 1 50 ARG HA 1 50 ARG HG3 . . 4.180 3.767 3.558 4.112 . 0 0 "[ . 1 . 2]" 1 1336 1 50 ARG HA 1 52 VAL H . . 5.410 4.723 4.641 4.845 . 0 0 "[ . 1 . 2]" 1 1337 1 50 ARG HA 1 52 VAL QG . . 5.330 4.521 4.423 4.648 . 0 0 "[ . 1 . 2]" 1 1338 1 50 ARG HA 1 53 GLN H . . 5.060 4.538 4.483 4.605 . 0 0 "[ . 1 . 2]" 1 1339 1 50 ARG HA 1 54 GLN QG . . 5.230 4.595 4.366 4.778 . 0 0 "[ . 1 . 2]" 1 1340 1 50 ARG HB2 1 50 ARG QD . . 3.710 2.890 2.339 3.470 . 0 0 "[ . 1 . 2]" 1 1341 1 50 ARG HB2 1 51 THR HB . . 4.420 4.512 4.485 4.558 0.138 16 0 "[ . 1 . 2]" 1 1342 1 50 ARG HB2 1 53 GLN H . . 3.810 2.225 2.052 2.359 . 0 0 "[ . 1 . 2]" 1 1343 1 50 ARG HB3 1 50 ARG QD . . 3.550 2.255 2.118 2.468 . 0 0 "[ . 1 . 2]" 1 1344 1 50 ARG HB3 1 52 VAL H . . 4.800 3.386 3.184 3.576 . 0 0 "[ . 1 . 2]" 1 1345 1 50 ARG HB3 1 52 VAL QG . . 5.140 2.865 2.682 3.112 . 0 0 "[ . 1 . 2]" 1 1346 1 50 ARG HB3 1 53 GLN H . . 3.700 3.723 3.621 3.764 0.064 17 0 "[ . 1 . 2]" 1 1347 1 50 ARG QD 1 52 VAL QG . . 4.760 3.293 2.374 4.333 . 0 0 "[ . 1 . 2]" 1 1348 1 50 ARG HG3 1 52 VAL H . . 5.500 5.318 4.751 5.531 0.031 2 0 "[ . 1 . 2]" 1 1349 1 50 ARG HG3 1 52 VAL QG . . 5.500 3.506 2.888 3.893 . 0 0 "[ . 1 . 2]" 1 1350 1 50 ARG HG3 1 53 GLN H . . 5.500 4.202 3.825 4.488 . 0 0 "[ . 1 . 2]" 1 1351 1 50 ARG HG3 1 53 GLN HG2 . . 4.390 4.223 3.937 4.421 0.031 6 0 "[ . 1 . 2]" 1 1352 1 51 THR HA 1 51 THR MG . . 3.010 2.455 2.338 2.559 . 0 0 "[ . 1 . 2]" 1 1353 1 51 THR HA 1 52 VAL H . . 3.540 3.566 3.553 3.577 0.037 6 0 "[ . 1 . 2]" 1 1354 1 51 THR HA 1 52 VAL QG . . 4.870 4.748 4.722 4.764 . 0 0 "[ . 1 . 2]" 1 1355 1 51 THR HA 1 53 GLN H . . 4.980 4.457 4.270 4.656 . 0 0 "[ . 1 . 2]" 1 1356 1 51 THR HB 1 52 VAL H . . 4.070 2.223 2.042 2.409 . 0 0 "[ . 1 . 2]" 1 1357 1 51 THR HB 1 52 VAL QG . . 5.040 3.677 3.345 3.910 . 0 0 "[ . 1 . 2]" 1 1358 1 51 THR HB 1 53 GLN H . . 5.290 4.751 4.624 4.890 . 0 0 "[ . 1 . 2]" 1 1359 1 51 THR MG 1 52 VAL H . . 4.300 3.120 2.984 3.327 . 0 0 "[ . 1 . 2]" 1 1360 1 51 THR MG 1 53 GLN H . . 5.500 5.008 4.911 5.108 . 0 0 "[ . 1 . 2]" 1 1361 1 51 THR MG 1 54 GLN H . . 5.210 4.906 4.687 5.082 . 0 0 "[ . 1 . 2]" 1 1362 1 51 THR MG 1 54 GLN HB2 . . 4.430 4.222 3.824 4.440 0.010 2 0 "[ . 1 . 2]" 1 1363 1 51 THR MG 1 55 HIS HB2 . . 4.800 4.466 4.222 4.756 . 0 0 "[ . 1 . 2]" 1 1364 1 51 THR MG 1 55 HIS HD2 . . 4.880 4.772 4.354 4.907 0.027 19 0 "[ . 1 . 2]" 1 1365 1 51 THR MG 1 55 HIS HE1 . . 4.810 2.436 2.190 2.763 . 0 0 "[ . 1 . 2]" 1 1366 1 52 VAL H 1 52 VAL HB . . 3.250 2.496 2.434 2.596 . 0 0 "[ . 1 . 2]" 1 1367 1 52 VAL H 1 52 VAL QG . . 3.480 1.973 1.840 2.050 . 0 0 "[ . 1 . 2]" 1 1368 1 52 VAL H 1 53 GLN H . . 3.230 2.827 2.735 2.885 . 0 0 "[ . 1 . 2]" 1 1369 1 52 VAL HA 1 52 VAL HB . . 2.920 2.408 2.336 2.468 . 0 0 "[ . 1 . 2]" 1 1370 1 52 VAL HA 1 52 VAL QG . . 3.140 2.336 2.299 2.388 . 0 0 "[ . 1 . 2]" 1 1371 1 52 VAL HA 1 55 HIS HB2 . . 3.450 2.634 2.441 2.838 . 0 0 "[ . 1 . 2]" 1 1372 1 52 VAL HA 1 55 HIS HB3 . . 4.480 4.248 4.008 4.489 0.009 8 0 "[ . 1 . 2]" 1 1373 1 52 VAL HA 1 56 GLN H . . 4.160 3.908 3.688 4.008 . 0 0 "[ . 1 . 2]" 1 1374 1 52 VAL HB 1 53 GLN H . . 4.010 4.030 4.008 4.047 0.037 19 0 "[ . 1 . 2]" 1 1375 1 52 VAL QG 1 53 GLN H . . 3.730 2.209 2.138 2.248 . 0 0 "[ . 1 . 2]" 1 1376 1 52 VAL QG 1 53 GLN HA . . 4.220 3.238 3.158 3.349 . 0 0 "[ . 1 . 2]" 1 1377 1 52 VAL QG 1 53 GLN HB2 . . 5.500 3.802 3.671 3.886 . 0 0 "[ . 1 . 2]" 1 1378 1 52 VAL QG 1 53 GLN HG2 . . 4.770 2.591 2.326 3.717 . 0 0 "[ . 1 . 2]" 1 1379 1 52 VAL QG 1 53 GLN HG3 . . 4.290 2.742 2.483 3.103 . 0 0 "[ . 1 . 2]" 1 1380 1 52 VAL QG 1 54 GLN H . . 5.080 4.172 4.104 4.298 . 0 0 "[ . 1 . 2]" 1 1381 1 52 VAL QG 1 56 GLN H . . 4.840 3.840 3.677 3.971 . 0 0 "[ . 1 . 2]" 1 1382 1 52 VAL QG 1 56 GLN HB3 . . 4.490 4.130 3.122 4.308 . 0 0 "[ . 1 . 2]" 1 1383 1 52 VAL QG 1 56 GLN HG2 . . 5.180 4.769 4.392 4.992 . 0 0 "[ . 1 . 2]" 1 1384 1 53 GLN H 1 53 GLN HB2 . . 3.400 2.568 2.417 2.661 . 0 0 "[ . 1 . 2]" 1 1385 1 53 GLN H 1 53 GLN HB3 . . 3.800 3.663 3.600 3.700 . 0 0 "[ . 1 . 2]" 1 1386 1 53 GLN H 1 53 GLN HE22 . . 5.500 5.001 4.810 5.345 . 0 0 "[ . 1 . 2]" 1 1387 1 53 GLN H 1 53 GLN HG2 . . 4.450 3.059 2.822 3.785 . 0 0 "[ . 1 . 2]" 1 1388 1 53 GLN H 1 53 GLN HG3 . . 3.690 2.822 2.581 3.283 . 0 0 "[ . 1 . 2]" 1 1389 1 53 GLN H 1 54 GLN H . . 3.030 2.634 2.536 2.755 . 0 0 "[ . 1 . 2]" 1 1390 1 53 GLN H 1 54 GLN HA . . 5.500 5.329 5.265 5.412 . 0 0 "[ . 1 . 2]" 1 1391 1 53 GLN HA 1 53 GLN HG2 . . 3.810 2.379 2.254 2.452 . 0 0 "[ . 1 . 2]" 1 1392 1 53 GLN HA 1 53 GLN HG3 . . 3.980 3.523 3.149 3.689 . 0 0 "[ . 1 . 2]" 1 1393 1 53 GLN HA 1 55 HIS H . . 4.670 4.631 4.491 4.686 0.016 5 0 "[ . 1 . 2]" 1 1394 1 53 GLN HA 1 56 GLN HB3 . . 3.020 2.598 2.233 3.022 0.002 8 0 "[ . 1 . 2]" 1 1395 1 53 GLN HB2 1 54 GLN H . . 4.470 3.080 2.767 3.323 . 0 0 "[ . 1 . 2]" 1 1396 1 53 GLN HB3 1 53 GLN HG2 . . 2.670 2.706 2.563 2.814 0.144 20 0 "[ . 1 . 2]" 1 1397 1 53 GLN HG2 1 54 GLN H . . 5.190 4.903 4.742 5.131 . 0 0 "[ . 1 . 2]" 1 1398 1 53 GLN HG3 1 54 GLN H . . 5.020 4.789 4.654 5.028 0.008 8 0 "[ . 1 . 2]" 1 1399 1 54 GLN H 1 54 GLN HB2 . . 2.980 2.482 2.417 2.579 . 0 0 "[ . 1 . 2]" 1 1400 1 54 GLN H 1 54 GLN HB3 . . 3.910 3.634 3.592 3.680 . 0 0 "[ . 1 . 2]" 1 1401 1 54 GLN H 1 54 GLN QG . . 3.090 2.466 2.331 2.559 . 0 0 "[ . 1 . 2]" 1 1402 1 54 GLN H 1 55 HIS H . . 3.100 2.717 2.564 2.830 . 0 0 "[ . 1 . 2]" 1 1403 1 54 GLN HA 1 54 GLN QG . . 4.000 2.485 2.409 2.557 . 0 0 "[ . 1 . 2]" 1 1404 1 54 GLN HA 1 57 MET ME . . 4.370 4.071 3.326 4.405 0.035 12 0 "[ . 1 . 2]" 1 1405 1 54 GLN HA 1 57 MET HG3 . . 3.990 3.317 2.610 3.761 . 0 0 "[ . 1 . 2]" 1 1406 1 54 GLN HB2 1 54 GLN HE22 . . 5.500 4.466 3.790 4.565 . 0 0 "[ . 1 . 2]" 1 1407 1 54 GLN HB2 1 54 GLN QG . . 2.760 2.403 2.372 2.462 . 0 0 "[ . 1 . 2]" 1 1408 1 54 GLN HB2 1 55 HIS H . . 3.310 2.416 2.318 2.490 . 0 0 "[ . 1 . 2]" 1 1409 1 54 GLN HB2 1 55 HIS HB2 . . 5.050 4.812 4.683 4.947 . 0 0 "[ . 1 . 2]" 1 1410 1 54 GLN HB2 1 55 HIS HD2 . . 4.930 4.533 4.285 4.706 . 0 0 "[ . 1 . 2]" 1 1411 1 54 GLN HB2 1 76 THR MG . . 4.230 3.543 3.354 3.720 . 0 0 "[ . 1 . 2]" 1 1412 1 54 GLN HB3 1 55 HIS H . . 4.000 3.408 3.301 3.537 . 0 0 "[ . 1 . 2]" 1 1413 1 54 GLN HB3 1 55 HIS HD2 . . 4.770 4.727 4.486 4.806 0.036 15 0 "[ . 1 . 2]" 1 1414 1 54 GLN HB3 1 76 THR H . . 5.500 5.438 4.916 5.516 0.016 14 0 "[ . 1 . 2]" 1 1415 1 54 GLN HB3 1 76 THR HB . . 3.920 2.738 2.423 2.938 . 0 0 "[ . 1 . 2]" 1 1416 1 54 GLN HB3 1 76 THR MG . . 4.650 2.397 2.298 2.542 . 0 0 "[ . 1 . 2]" 1 1417 1 54 GLN QG 1 55 HIS H . . 4.820 4.138 4.087 4.192 . 0 0 "[ . 1 . 2]" 1 1418 1 55 HIS H 1 55 HIS HB2 . . 3.320 2.480 2.390 2.575 . 0 0 "[ . 1 . 2]" 1 1419 1 55 HIS H 1 55 HIS HB3 . . 3.620 3.599 3.573 3.627 0.007 7 0 "[ . 1 . 2]" 1 1420 1 55 HIS HA 1 55 HIS HD2 . . 3.310 2.310 2.212 2.437 . 0 0 "[ . 1 . 2]" 1 1421 1 55 HIS HA 1 58 VAL H . . 3.830 3.649 3.504 3.799 . 0 0 "[ . 1 . 2]" 1 1422 1 55 HIS HA 1 58 VAL HB . . 3.370 3.181 3.022 3.394 0.024 8 0 "[ . 1 . 2]" 1 1423 1 55 HIS HA 1 58 VAL MG2 . . 3.570 2.858 2.553 3.075 . 0 0 "[ . 1 . 2]" 1 1424 1 55 HIS HA 1 59 ASN H . . 4.600 4.291 4.108 4.424 . 0 0 "[ . 1 . 2]" 1 1425 1 55 HIS HA 1 59 ASN HB2 . . 5.310 5.147 5.062 5.290 . 0 0 "[ . 1 . 2]" 1 1426 1 55 HIS HA 1 59 ASN HD21 . . 5.500 4.087 3.870 4.394 . 0 0 "[ . 1 . 2]" 1 1427 1 55 HIS HA 1 74 ILE MD . . 3.950 3.424 3.275 3.657 . 0 0 "[ . 1 . 2]" 1 1428 1 55 HIS HA 1 74 ILE HG13 . . 5.500 5.505 5.324 5.538 0.038 20 0 "[ . 1 . 2]" 1 1429 1 55 HIS HA 1 74 ILE MG . . 3.620 3.320 3.030 3.625 0.005 9 0 "[ . 1 . 2]" 1 1430 1 55 HIS HA 1 76 THR MG . . 4.100 3.263 2.999 3.487 . 0 0 "[ . 1 . 2]" 1 1431 1 55 HIS HB2 1 56 GLN H . . 3.560 2.510 2.313 2.650 . 0 0 "[ . 1 . 2]" 1 1432 1 55 HIS HB2 1 74 ILE MD . . 5.240 4.925 4.658 5.242 0.002 18 0 "[ . 1 . 2]" 1 1433 1 55 HIS HB3 1 56 GLN H . . 3.870 3.387 3.235 3.540 . 0 0 "[ . 1 . 2]" 1 1434 1 55 HIS HB3 1 58 VAL H . . 5.500 5.382 5.235 5.506 0.006 11 0 "[ . 1 . 2]" 1 1435 1 55 HIS HB3 1 59 ASN HD21 . . 5.100 2.673 2.403 3.072 . 0 0 "[ . 1 . 2]" 1 1436 1 55 HIS HB3 1 74 ILE MD . . 4.240 3.434 3.128 3.789 . 0 0 "[ . 1 . 2]" 1 1437 1 55 HIS HB3 1 74 ILE MG . . 5.150 4.505 4.051 4.800 . 0 0 "[ . 1 . 2]" 1 1438 1 55 HIS HD2 1 58 VAL MG1 . . 5.500 4.909 4.578 5.271 . 0 0 "[ . 1 . 2]" 1 1439 1 55 HIS HD2 1 74 ILE H . . 5.460 5.063 4.873 5.256 . 0 0 "[ . 1 . 2]" 1 1440 1 55 HIS HD2 1 74 ILE HB . . 3.640 2.618 2.481 2.805 . 0 0 "[ . 1 . 2]" 1 1441 1 55 HIS HD2 1 74 ILE MD . . 5.060 3.731 3.506 3.930 . 0 0 "[ . 1 . 2]" 1 1442 1 55 HIS HD2 1 74 ILE HG13 . . 4.780 4.798 4.685 4.830 0.050 15 0 "[ . 1 . 2]" 1 1443 1 55 HIS HD2 1 74 ILE MG . . 3.710 2.874 2.441 3.581 . 0 0 "[ . 1 . 2]" 1 1444 1 55 HIS HD2 1 76 THR H . . 5.090 4.604 3.892 4.994 . 0 0 "[ . 1 . 2]" 1 1445 1 55 HIS HD2 1 76 THR MG . . 3.570 2.948 2.602 3.313 . 0 0 "[ . 1 . 2]" 1 1446 1 56 GLN H 1 56 GLN HB2 . . 3.060 2.545 2.388 3.187 0.127 8 0 "[ . 1 . 2]" 1 1447 1 56 GLN H 1 56 GLN HB3 . . 3.110 2.355 1.975 2.463 . 0 0 "[ . 1 . 2]" 1 1448 1 56 GLN H 1 59 ASN HB2 . . 4.400 4.455 4.435 4.481 0.081 16 0 "[ . 1 . 2]" 1 1449 1 56 GLN H 1 59 ASN HD22 . . 5.140 4.182 4.033 4.372 . 0 0 "[ . 1 . 2]" 1 1450 1 56 GLN HA 1 56 GLN HB2 . . 2.910 2.355 2.131 2.424 . 0 0 "[ . 1 . 2]" 1 1451 1 56 GLN HA 1 56 GLN HE22 . . 5.130 4.600 4.180 4.945 . 0 0 "[ . 1 . 2]" 1 1452 1 56 GLN HA 1 56 GLN HG2 . . 3.820 3.850 3.817 3.871 0.051 7 0 "[ . 1 . 2]" 1 1453 1 56 GLN HA 1 56 GLN HG3 . . 3.540 3.399 3.238 3.557 0.017 18 0 "[ . 1 . 2]" 1 1454 1 56 GLN HA 1 59 ASN H . . 3.920 3.433 3.235 3.589 . 0 0 "[ . 1 . 2]" 1 1455 1 56 GLN HA 1 59 ASN HB2 . . 3.080 2.218 2.097 2.330 . 0 0 "[ . 1 . 2]" 1 1456 1 56 GLN HA 1 59 ASN HD21 . . 5.180 4.429 4.303 4.472 . 0 0 "[ . 1 . 2]" 1 1457 1 56 GLN HA 1 59 ASN HD22 . . 4.430 3.404 3.050 3.616 . 0 0 "[ . 1 . 2]" 1 1458 1 56 GLN HB3 1 57 MET HG2 . . 5.380 4.428 3.653 5.181 . 0 0 "[ . 1 . 2]" 1 1459 1 56 GLN HE22 1 57 MET HA . . 4.970 4.727 3.465 5.041 0.071 8 0 "[ . 1 . 2]" 1 1460 1 56 GLN HE22 1 60 GLN HB2 . . 5.500 3.612 2.734 4.706 . 0 0 "[ . 1 . 2]" 1 1461 1 56 GLN HG3 1 57 MET H . . 3.630 3.437 3.103 3.640 0.010 10 0 "[ . 1 . 2]" 1 1462 1 56 GLN HG3 1 57 MET HA . . 3.600 3.517 3.206 3.614 0.014 12 0 "[ . 1 . 2]" 1 1463 1 57 MET H 1 57 MET HB2 . . 3.510 2.604 2.489 2.856 . 0 0 "[ . 1 . 2]" 1 1464 1 57 MET H 1 57 MET HB3 . . 4.010 3.609 3.565 3.667 . 0 0 "[ . 1 . 2]" 1 1465 1 57 MET H 1 57 MET ME . . 5.120 4.560 4.343 4.695 . 0 0 "[ . 1 . 2]" 1 1466 1 57 MET H 1 57 MET HG2 . . 3.250 2.959 2.357 3.285 0.035 16 0 "[ . 1 . 2]" 1 1467 1 57 MET H 1 57 MET HG3 . . 3.890 2.187 1.893 2.898 . 0 0 "[ . 1 . 2]" 1 1468 1 57 MET H 1 58 VAL H . . 3.150 2.681 2.581 2.769 . 0 0 "[ . 1 . 2]" 1 1469 1 57 MET H 1 58 VAL MG2 . . 5.280 3.804 3.582 3.959 . 0 0 "[ . 1 . 2]" 1 1470 1 57 MET H 1 59 ASN H . . 4.310 3.991 3.882 4.146 . 0 0 "[ . 1 . 2]" 1 1471 1 57 MET HA 1 57 MET HB2 . . 3.020 3.041 3.023 3.049 0.029 14 0 "[ . 1 . 2]" 1 1472 1 57 MET HA 1 57 MET HG2 . . 3.650 2.578 2.475 2.712 . 0 0 "[ . 1 . 2]" 1 1473 1 57 MET HA 1 60 GLN H . . 3.720 3.706 3.581 3.766 0.046 2 0 "[ . 1 . 2]" 1 1474 1 57 MET HB2 1 57 MET ME . . 5.040 2.881 2.649 3.091 . 0 0 "[ . 1 . 2]" 1 1475 1 57 MET HB2 1 58 VAL H . . 3.500 2.546 2.345 2.792 . 0 0 "[ . 1 . 2]" 1 1476 1 57 MET HB2 1 58 VAL MG2 . . 4.410 2.985 2.832 3.141 . 0 0 "[ . 1 . 2]" 1 1477 1 57 MET HB3 1 57 MET ME . . 3.490 2.409 2.264 2.712 . 0 0 "[ . 1 . 2]" 1 1478 1 57 MET HB3 1 58 VAL H . . 4.190 3.690 3.496 3.979 . 0 0 "[ . 1 . 2]" 1 1479 1 57 MET HB3 1 58 VAL MG2 . . 4.710 4.139 3.949 4.382 . 0 0 "[ . 1 . 2]" 1 1480 1 57 MET ME 1 57 MET HG2 . . 3.660 2.900 2.434 3.458 . 0 0 "[ . 1 . 2]" 1 1481 1 57 MET ME 1 57 MET HG3 . . 3.490 3.059 2.452 3.445 . 0 0 "[ . 1 . 2]" 1 1482 1 57 MET HG2 1 58 VAL H . . 4.760 4.715 4.454 4.864 0.104 3 0 "[ . 1 . 2]" 1 1483 1 57 MET HG3 1 58 VAL H . . 4.880 4.150 3.992 4.599 . 0 0 "[ . 1 . 2]" 1 1484 1 58 VAL H 1 58 VAL HB . . 3.010 2.728 2.646 2.815 . 0 0 "[ . 1 . 2]" 1 1485 1 58 VAL H 1 58 VAL MG1 . . 4.150 3.799 3.750 3.847 . 0 0 "[ . 1 . 2]" 1 1486 1 58 VAL H 1 58 VAL MG2 . . 3.150 1.947 1.870 2.066 . 0 0 "[ . 1 . 2]" 1 1487 1 58 VAL H 1 59 ASN H . . 3.190 2.519 2.423 2.623 . 0 0 "[ . 1 . 2]" 1 1488 1 58 VAL H 1 74 ILE MD . . 4.960 4.561 4.419 4.739 . 0 0 "[ . 1 . 2]" 1 1489 1 58 VAL H 1 74 ILE MG . . 5.090 4.593 4.364 4.836 . 0 0 "[ . 1 . 2]" 1 1490 1 58 VAL H 1 76 THR MG . . 5.460 4.326 4.227 4.472 . 0 0 "[ . 1 . 2]" 1 1491 1 58 VAL HA 1 58 VAL MG1 . . 2.890 2.233 2.183 2.275 . 0 0 "[ . 1 . 2]" 1 1492 1 58 VAL HA 1 58 VAL MG2 . . 3.170 2.615 2.548 2.704 . 0 0 "[ . 1 . 2]" 1 1493 1 58 VAL HA 1 60 GLN H . . 5.050 4.714 4.592 4.855 . 0 0 "[ . 1 . 2]" 1 1494 1 58 VAL HA 1 61 ALA H . . 3.910 3.547 3.403 3.690 . 0 0 "[ . 1 . 2]" 1 1495 1 58 VAL HA 1 61 ALA MB . . 3.470 2.660 2.491 2.788 . 0 0 "[ . 1 . 2]" 1 1496 1 58 VAL HA 1 62 LEU H . . 5.230 5.205 5.106 5.267 0.037 8 0 "[ . 1 . 2]" 1 1497 1 58 VAL HA 1 74 ILE MD . . 5.180 4.563 4.437 4.743 . 0 0 "[ . 1 . 2]" 1 1498 1 58 VAL HA 1 74 ILE MG . . 5.330 4.643 4.547 4.708 . 0 0 "[ . 1 . 2]" 1 1499 1 58 VAL HB 1 59 ASN H . . 3.260 2.892 2.735 3.085 . 0 0 "[ . 1 . 2]" 1 1500 1 58 VAL HB 1 74 ILE MD . . 3.530 2.514 2.366 2.726 . 0 0 "[ . 1 . 2]" 1 1501 1 58 VAL HB 1 74 ILE MG . . 3.960 2.331 2.166 2.535 . 0 0 "[ . 1 . 2]" 1 1502 1 58 VAL MG1 1 59 ASN H . . 4.140 3.984 3.873 4.070 . 0 0 "[ . 1 . 2]" 1 1503 1 58 VAL MG1 1 59 ASN HB2 . . 5.500 5.534 5.518 5.554 0.054 6 0 "[ . 1 . 2]" 1 1504 1 58 VAL MG1 1 61 ALA H . . 5.300 4.793 4.623 4.931 . 0 0 "[ . 1 . 2]" 1 1505 1 58 VAL MG1 1 74 ILE MD . . 3.320 2.321 2.157 2.618 . 0 0 "[ . 1 . 2]" 1 1506 1 58 VAL MG1 1 74 ILE MG . . 3.480 2.085 2.012 2.132 . 0 0 "[ . 1 . 2]" 1 1507 1 58 VAL MG1 1 76 THR HA . . 5.500 5.591 5.575 5.607 0.107 3 0 "[ . 1 . 2]" 1 1508 1 58 VAL MG2 1 59 ASN H . . 4.180 3.699 3.528 3.856 . 0 0 "[ . 1 . 2]" 1 1509 1 58 VAL MG2 1 59 ASN HD21 . . 5.500 5.383 5.373 5.400 . 0 0 "[ . 1 . 2]" 1 1510 1 58 VAL MG2 1 59 ASN HD22 . . 5.340 4.260 4.150 4.387 . 0 0 "[ . 1 . 2]" 1 1511 1 58 VAL MG2 1 74 ILE MG . . 3.870 2.488 2.320 2.691 . 0 0 "[ . 1 . 2]" 1 1512 1 58 VAL MG2 1 76 THR HA . . 5.500 4.582 4.488 4.702 . 0 0 "[ . 1 . 2]" 1 1513 1 58 VAL MG2 1 76 THR MG . . 3.540 2.048 1.970 2.125 . 0 0 "[ . 1 . 2]" 1 1514 1 59 ASN H 1 59 ASN HB2 . . 3.260 2.125 2.030 2.186 . 0 0 "[ . 1 . 2]" 1 1515 1 59 ASN H 1 59 ASN QB . . 3.110 2.106 2.015 2.165 . 0 0 "[ . 1 . 2]" 1 1516 1 59 ASN H 1 59 ASN HB3 . . 3.500 3.460 3.385 3.505 0.005 18 0 "[ . 1 . 2]" 1 1517 1 59 ASN H 1 59 ASN HD21 . . 5.060 4.081 3.868 4.257 . 0 0 "[ . 1 . 2]" 1 1518 1 59 ASN H 1 59 ASN HD22 . . 4.680 2.401 2.178 2.587 . 0 0 "[ . 1 . 2]" 1 1519 1 59 ASN H 1 60 GLN H . . 3.450 2.645 2.431 2.864 . 0 0 "[ . 1 . 2]" 1 1520 1 59 ASN H 1 60 GLN HA . . 5.410 5.256 5.109 5.412 0.002 18 0 "[ . 1 . 2]" 1 1521 1 59 ASN H 1 60 GLN HB3 . . 5.500 5.277 4.735 5.560 0.060 1 0 "[ . 1 . 2]" 1 1522 1 59 ASN H 1 62 LEU H . . 5.500 5.521 5.477 5.567 0.067 2 0 "[ . 1 . 2]" 1 1523 1 59 ASN H 1 74 ILE MD . . 4.380 3.656 3.471 3.883 . 0 0 "[ . 1 . 2]" 1 1524 1 59 ASN H 1 74 ILE MG . . 5.300 4.735 4.503 5.006 . 0 0 "[ . 1 . 2]" 1 1525 1 59 ASN HA 1 59 ASN HB2 . . 3.010 3.020 3.000 3.032 0.022 20 0 "[ . 1 . 2]" 1 1526 1 59 ASN HA 1 59 ASN HD21 . . 4.620 4.012 3.917 4.100 . 0 0 "[ . 1 . 2]" 1 1527 1 59 ASN HA 1 59 ASN HD22 . . 4.090 3.316 3.108 3.521 . 0 0 "[ . 1 . 2]" 1 1528 1 59 ASN HA 1 62 LEU H . . 4.920 4.125 3.918 4.324 . 0 0 "[ . 1 . 2]" 1 1529 1 59 ASN HA 1 62 LEU MD1 . . 3.690 2.780 2.569 3.020 . 0 0 "[ . 1 . 2]" 1 1530 1 59 ASN HA 1 63 LYS HB2 . . 4.730 4.554 4.176 4.752 0.022 3 0 "[ . 1 . 2]" 1 1531 1 59 ASN HA 1 74 ILE MD . . 5.390 3.173 3.024 3.363 . 0 0 "[ . 1 . 2]" 1 1532 1 59 ASN QB 1 60 GLN H . . 3.470 2.529 2.362 2.616 . 0 0 "[ . 1 . 2]" 1 1533 1 59 ASN HB2 1 60 GLN H . . 3.580 2.668 2.531 2.748 . 0 0 "[ . 1 . 2]" 1 1534 1 59 ASN HB2 1 74 ILE MD . . 4.850 4.200 4.111 4.344 . 0 0 "[ . 1 . 2]" 1 1535 1 59 ASN HB3 1 59 ASN HD22 . . 4.040 3.539 3.489 3.580 . 0 0 "[ . 1 . 2]" 1 1536 1 59 ASN HB3 1 60 GLN H . . 3.600 3.139 2.827 3.320 . 0 0 "[ . 1 . 2]" 1 1537 1 59 ASN HB3 1 62 LEU MD1 . . 5.070 4.614 4.322 4.877 . 0 0 "[ . 1 . 2]" 1 1538 1 59 ASN HB3 1 74 ILE MD . . 4.990 4.578 4.491 4.692 . 0 0 "[ . 1 . 2]" 1 1539 1 59 ASN HD21 1 69 MET HB3 . . 5.500 4.242 3.746 4.469 . 0 0 "[ . 1 . 2]" 1 1540 1 59 ASN HD21 1 74 ILE HB . . 5.440 4.203 3.819 4.625 . 0 0 "[ . 1 . 2]" 1 1541 1 59 ASN HD21 1 74 ILE MD . . 4.460 2.260 2.069 2.358 . 0 0 "[ . 1 . 2]" 1 1542 1 59 ASN HD22 1 74 ILE MD . . 4.760 2.423 2.340 2.554 . 0 0 "[ . 1 . 2]" 1 1543 1 60 GLN H 1 60 GLN HB2 . . 3.120 2.000 1.903 2.096 . 0 0 "[ . 1 . 2]" 1 1544 1 60 GLN H 1 60 GLN HB3 . . 3.200 2.952 2.394 3.308 0.108 1 0 "[ . 1 . 2]" 1 1545 1 60 GLN H 1 60 GLN QG . . 3.580 3.419 2.511 3.772 0.192 19 0 "[ . 1 . 2]" 1 1546 1 60 GLN H 1 61 ALA H . . 3.200 2.760 2.688 2.866 . 0 0 "[ . 1 . 2]" 1 1547 1 60 GLN H 1 61 ALA MB . . 5.070 4.355 4.271 4.450 . 0 0 "[ . 1 . 2]" 1 1548 1 60 GLN H 1 62 LEU H . . 4.730 4.685 4.536 4.749 0.019 14 0 "[ . 1 . 2]" 1 1549 1 60 GLN H 1 63 LYS H . . 5.490 4.887 4.763 4.989 . 0 0 "[ . 1 . 2]" 1 1550 1 60 GLN H 1 74 ILE MD . . 5.500 5.532 5.491 5.588 0.088 9 0 "[ . 1 . 2]" 1 1551 1 60 GLN HA 1 60 GLN QG . . 3.390 2.621 2.195 3.011 . 0 0 "[ . 1 . 2]" 1 1552 1 60 GLN HA 1 62 LEU H . . 4.740 4.142 3.776 4.349 . 0 0 "[ . 1 . 2]" 1 1553 1 60 GLN HA 1 63 LYS H . . 3.830 3.180 2.956 3.419 . 0 0 "[ . 1 . 2]" 1 1554 1 60 GLN HA 1 63 LYS HB2 . . 3.730 2.689 2.475 3.173 . 0 0 "[ . 1 . 2]" 1 1555 1 60 GLN HA 1 63 LYS HB3 . . 3.710 2.420 2.128 2.626 . 0 0 "[ . 1 . 2]" 1 1556 1 60 GLN HA 1 63 LYS QD . . 3.860 3.418 2.840 3.889 0.029 2 0 "[ . 1 . 2]" 1 1557 1 60 GLN HA 1 63 LYS QE . . 5.160 3.314 2.054 4.589 . 0 0 "[ . 1 . 2]" 1 1558 1 60 GLN HA 1 63 LYS HG2 . . 4.650 4.394 3.986 4.672 0.022 13 0 "[ . 1 . 2]" 1 1559 1 60 GLN HA 1 63 LYS HG3 . . 4.920 4.929 4.727 4.993 0.073 11 0 "[ . 1 . 2]" 1 1560 1 60 GLN HA 1 64 GLU H . . 4.870 4.791 4.379 4.925 0.055 20 0 "[ . 1 . 2]" 1 1561 1 60 GLN HB2 1 60 GLN HE22 . . 5.500 4.296 3.762 4.665 . 0 0 "[ . 1 . 2]" 1 1562 1 60 GLN HB2 1 61 ALA H . . 3.750 3.613 2.959 3.839 0.089 3 0 "[ . 1 . 2]" 1 1563 1 60 GLN HB3 1 61 ALA H . . 3.500 3.216 2.712 3.558 0.058 6 0 "[ . 1 . 2]" 1 1564 1 60 GLN HB3 1 61 ALA HA . . 4.540 4.130 3.825 4.361 . 0 0 "[ . 1 . 2]" 1 1565 1 60 GLN HB3 1 61 ALA MB . . 4.880 4.383 3.915 4.745 . 0 0 "[ . 1 . 2]" 1 1566 1 60 GLN HB3 1 62 LEU H . . 5.400 5.335 5.164 5.417 0.017 11 0 "[ . 1 . 2]" 1 1567 1 60 GLN HE21 1 63 LYS HB3 . . 4.940 4.112 3.221 4.945 0.005 12 0 "[ . 1 . 2]" 1 1568 1 60 GLN HE21 1 63 LYS QE . . 4.640 4.053 2.514 4.655 0.015 16 0 "[ . 1 . 2]" 1 1569 1 60 GLN HE22 1 63 LYS HB3 . . 4.410 4.035 3.139 4.463 0.053 10 0 "[ . 1 . 2]" 1 1570 1 60 GLN QG 1 61 ALA H . . 4.830 4.549 3.951 4.875 0.045 6 0 "[ . 1 . 2]" 1 1571 1 61 ALA H 1 61 ALA MB . . 2.910 2.188 2.152 2.232 . 0 0 "[ . 1 . 2]" 1 1572 1 61 ALA H 1 62 LEU H . . 3.190 2.775 2.737 2.828 . 0 0 "[ . 1 . 2]" 1 1573 1 61 ALA H 1 62 LEU HA . . 5.370 5.414 5.391 5.445 0.075 9 0 "[ . 1 . 2]" 1 1574 1 61 ALA H 1 62 LEU QB . . 5.260 5.127 5.024 5.205 . 0 0 "[ . 1 . 2]" 1 1575 1 61 ALA H 1 62 LEU MD1 . . 3.630 3.627 3.492 3.665 0.035 2 0 "[ . 1 . 2]" 1 1576 1 61 ALA MB 1 62 LEU H . . 3.280 2.614 2.434 2.884 . 0 0 "[ . 1 . 2]" 1 1577 1 61 ALA MB 1 62 LEU HA . . 5.110 4.184 4.074 4.341 . 0 0 "[ . 1 . 2]" 1 1578 1 61 ALA MB 1 62 LEU MD1 . . 3.930 2.751 2.353 3.059 . 0 0 "[ . 1 . 2]" 1 1579 1 61 ALA MB 1 63 LYS H . . 5.430 4.384 4.251 4.516 . 0 0 "[ . 1 . 2]" 1 1580 1 62 LEU H 1 62 LEU QB . . 2.990 2.911 2.823 2.996 0.006 6 0 "[ . 1 . 2]" 1 1581 1 62 LEU H 1 62 LEU MD1 . . 3.720 1.979 1.879 2.074 . 0 0 "[ . 1 . 2]" 1 1582 1 62 LEU H 1 62 LEU MD2 . . 3.990 3.730 3.586 3.834 . 0 0 "[ . 1 . 2]" 1 1583 1 62 LEU H 1 62 LEU HG . . 4.590 4.002 3.901 4.111 . 0 0 "[ . 1 . 2]" 1 1584 1 62 LEU H 1 63 LYS H . . 3.300 2.165 2.025 2.307 . 0 0 "[ . 1 . 2]" 1 1585 1 62 LEU H 1 63 LYS HB2 . . 4.320 4.314 4.235 4.343 0.023 15 0 "[ . 1 . 2]" 1 1586 1 62 LEU H 1 64 GLU H . . 5.420 4.606 4.317 4.871 . 0 0 "[ . 1 . 2]" 1 1587 1 62 LEU HA 1 62 LEU MD1 . . 4.470 3.610 3.579 3.632 . 0 0 "[ . 1 . 2]" 1 1588 1 62 LEU HA 1 63 LYS HA . . 4.900 4.913 4.874 4.954 0.054 3 0 "[ . 1 . 2]" 1 1589 1 62 LEU HA 1 64 GLU H . . 4.340 3.595 3.465 3.688 . 0 0 "[ . 1 . 2]" 1 1590 1 62 LEU HA 1 65 GLU H . . 3.990 3.437 3.179 3.951 . 0 0 "[ . 1 . 2]" 1 1591 1 62 LEU HA 1 65 GLU HB2 . . 4.860 3.083 2.754 4.104 . 0 0 "[ . 1 . 2]" 1 1592 1 62 LEU HA 1 65 GLU HB3 . . 4.550 4.012 2.836 4.620 0.070 14 0 "[ . 1 . 2]" 1 1593 1 62 LEU HA 1 65 GLU QG . . 3.890 3.886 2.957 4.006 0.116 7 0 "[ . 1 . 2]" 1 1594 1 62 LEU HA 1 66 ILE H . . 4.460 4.194 3.957 4.386 . 0 0 "[ . 1 . 2]" 1 1595 1 62 LEU QB 1 62 LEU MD1 . . 3.050 2.510 2.445 2.568 . 0 0 "[ . 1 . 2]" 1 1596 1 62 LEU QB 1 62 LEU MD2 . . 2.930 2.169 2.132 2.217 . 0 0 "[ . 1 . 2]" 1 1597 1 62 LEU QB 1 63 LYS H . . 3.960 3.966 3.919 3.993 0.033 9 0 "[ . 1 . 2]" 1 1598 1 62 LEU QB 1 64 GLU H . . 4.860 4.912 4.883 4.936 0.076 7 0 "[ . 1 . 2]" 1 1599 1 62 LEU QB 1 66 ILE H . . 4.350 3.680 3.417 3.923 . 0 0 "[ . 1 . 2]" 1 1600 1 62 LEU MD1 1 63 LYS HA . . 4.350 3.678 3.423 3.974 . 0 0 "[ . 1 . 2]" 1 1601 1 62 LEU MD2 1 63 LYS H . . 5.070 3.601 3.385 3.780 . 0 0 "[ . 1 . 2]" 1 1602 1 62 LEU MD2 1 63 LYS HA . . 4.240 3.146 2.921 3.422 . 0 0 "[ . 1 . 2]" 1 1603 1 62 LEU MD2 1 65 GLU H . . 4.780 4.054 3.846 4.247 . 0 0 "[ . 1 . 2]" 1 1604 1 62 LEU MD2 1 66 ILE H . . 4.400 2.807 2.481 3.081 . 0 0 "[ . 1 . 2]" 1 1605 1 62 LEU MD2 1 66 ILE HB . . 3.320 2.213 2.057 2.341 . 0 0 "[ . 1 . 2]" 1 1606 1 62 LEU MD2 1 67 LYS HA . . 3.970 4.055 4.013 4.098 0.128 6 0 "[ . 1 . 2]" 1 1607 1 62 LEU MD2 1 69 MET ME . . 3.740 3.159 1.958 3.758 0.018 8 0 "[ . 1 . 2]" 1 1608 1 62 LEU HG 1 63 LYS H . . 5.310 5.174 4.977 5.325 0.015 7 0 "[ . 1 . 2]" 1 1609 1 63 LYS H 1 63 LYS HB2 . . 3.160 2.536 2.430 2.665 . 0 0 "[ . 1 . 2]" 1 1610 1 63 LYS H 1 63 LYS HB3 . . 3.290 2.383 2.117 2.466 . 0 0 "[ . 1 . 2]" 1 1611 1 63 LYS H 1 63 LYS QE . . 5.430 4.580 4.115 5.507 0.077 10 0 "[ . 1 . 2]" 1 1612 1 63 LYS H 1 63 LYS HG2 . . 4.370 4.363 4.115 4.412 0.042 7 0 "[ . 1 . 2]" 1 1613 1 63 LYS H 1 63 LYS HG3 . . 4.560 4.415 4.344 4.446 . 0 0 "[ . 1 . 2]" 1 1614 1 63 LYS H 1 64 GLU H . . 3.700 2.941 2.848 2.995 . 0 0 "[ . 1 . 2]" 1 1615 1 63 LYS H 1 64 GLU HA . . 5.370 5.409 5.381 5.431 0.061 3 0 "[ . 1 . 2]" 1 1616 1 63 LYS H 1 65 GLU H . . 5.120 4.264 4.134 4.396 . 0 0 "[ . 1 . 2]" 1 1617 1 63 LYS H 1 66 ILE H . . 5.100 4.894 4.754 5.113 0.013 19 0 "[ . 1 . 2]" 1 1618 1 63 LYS HA 1 63 LYS HB2 . . 3.010 2.398 2.353 2.445 . 0 0 "[ . 1 . 2]" 1 1619 1 63 LYS HA 1 63 LYS QD . . 4.060 3.981 3.691 4.162 0.102 1 0 "[ . 1 . 2]" 1 1620 1 63 LYS HA 1 63 LYS HG2 . . 3.680 3.463 3.304 3.686 0.006 4 0 "[ . 1 . 2]" 1 1621 1 63 LYS HA 1 63 LYS HG3 . . 3.640 2.543 2.385 2.834 . 0 0 "[ . 1 . 2]" 1 1622 1 63 LYS HA 1 65 GLU H . . 4.610 3.948 3.646 4.229 . 0 0 "[ . 1 . 2]" 1 1623 1 63 LYS HA 1 66 ILE H . . 4.140 3.786 3.485 4.155 0.015 13 0 "[ . 1 . 2]" 1 1624 1 63 LYS HA 1 67 LYS H . . 5.390 4.666 4.313 4.918 . 0 0 "[ . 1 . 2]" 1 1625 1 63 LYS HB2 1 63 LYS QE . . 4.140 2.697 1.962 4.003 . 0 0 "[ . 1 . 2]" 1 1626 1 63 LYS HB3 1 63 LYS QD . . 3.170 2.846 2.437 3.183 0.013 2 0 "[ . 1 . 2]" 1 1627 1 63 LYS HB3 1 64 GLU H . . 3.880 2.839 2.652 2.991 . 0 0 "[ . 1 . 2]" 1 1628 1 63 LYS QE 1 63 LYS HG3 . . 3.610 2.818 2.242 3.474 . 0 0 "[ . 1 . 2]" 1 1629 1 63 LYS QE 1 64 GLU H . . 5.500 5.114 4.310 5.529 0.029 17 0 "[ . 1 . 2]" 1 1630 1 63 LYS HG2 1 64 GLU H . . 4.570 3.600 3.266 3.818 . 0 0 "[ . 1 . 2]" 1 1631 1 63 LYS HG2 1 67 LYS HA . . 4.370 4.412 4.372 4.452 0.082 10 0 "[ . 1 . 2]" 1 1632 1 63 LYS HG3 1 64 GLU H . . 4.570 4.338 4.271 4.394 . 0 0 "[ . 1 . 2]" 1 1633 1 63 LYS HG3 1 64 GLU HA . . 4.090 4.181 4.152 4.216 0.126 14 0 "[ . 1 . 2]" 1 1634 1 63 LYS HG3 1 64 GLU HG3 . . 5.020 4.611 4.085 5.025 0.005 11 0 "[ . 1 . 2]" 1 1635 1 64 GLU H 1 64 GLU HB2 . . 3.640 2.114 2.005 2.312 . 0 0 "[ . 1 . 2]" 1 1636 1 64 GLU H 1 64 GLU HB3 . . 3.240 3.380 3.294 3.427 0.187 1 0 "[ . 1 . 2]" 1 1637 1 64 GLU H 1 64 GLU HG2 . . 4.090 3.849 3.207 4.138 0.048 11 0 "[ . 1 . 2]" 1 1638 1 64 GLU H 1 64 GLU HG3 . . 3.980 2.775 2.247 3.244 . 0 0 "[ . 1 . 2]" 1 1639 1 64 GLU H 1 65 GLU H . . 3.290 2.546 2.405 2.769 . 0 0 "[ . 1 . 2]" 1 1640 1 64 GLU H 1 66 ILE H . . 5.490 4.366 4.073 4.718 . 0 0 "[ . 1 . 2]" 1 1641 1 64 GLU HA 1 64 GLU HB2 . . 2.970 3.003 2.971 3.022 0.052 6 0 "[ . 1 . 2]" 1 1642 1 64 GLU HA 1 64 GLU HG3 . . 3.400 2.779 2.522 3.239 . 0 0 "[ . 1 . 2]" 1 1643 1 64 GLU HB2 1 65 GLU H . . 4.960 3.492 2.859 3.884 . 0 0 "[ . 1 . 2]" 1 1644 1 64 GLU HB3 1 65 GLU H . . 4.820 4.001 3.503 4.382 . 0 0 "[ . 1 . 2]" 1 1645 1 64 GLU HG3 1 65 GLU H . . 5.140 4.863 4.504 5.149 0.009 14 0 "[ . 1 . 2]" 1 1646 1 65 GLU H 1 65 GLU QB . . 3.580 2.201 2.066 2.334 . 0 0 "[ . 1 . 2]" 1 1647 1 65 GLU H 1 65 GLU HB3 . . 3.390 3.087 2.333 3.485 0.095 13 0 "[ . 1 . 2]" 1 1648 1 65 GLU H 1 65 GLU QG . . 3.920 3.686 2.901 3.956 0.036 5 0 "[ . 1 . 2]" 1 1649 1 65 GLU H 1 66 ILE H . . 3.080 2.289 2.062 2.606 . 0 0 "[ . 1 . 2]" 1 1650 1 65 GLU HA 1 65 GLU QG . . 3.430 2.839 2.519 3.178 . 0 0 "[ . 1 . 2]" 1 1651 1 65 GLU QB 1 66 ILE H . . 4.150 2.386 2.238 2.532 . 0 0 "[ . 1 . 2]" 1 1652 1 65 GLU QB 1 66 ILE MD . . 4.040 3.907 3.402 4.081 0.041 8 0 "[ . 1 . 2]" 1 1653 1 65 GLU HB3 1 66 ILE H . . 3.120 2.741 2.283 3.130 0.010 13 0 "[ . 1 . 2]" 1 1654 1 65 GLU QG 1 66 ILE H . . 4.690 4.024 3.022 4.405 . 0 0 "[ . 1 . 2]" 1 1655 1 66 ILE H 1 66 ILE HB . . 2.910 2.831 2.642 2.932 0.022 7 0 "[ . 1 . 2]" 1 1656 1 66 ILE H 1 66 ILE MD . . 5.270 4.202 3.476 4.569 . 0 0 "[ . 1 . 2]" 1 1657 1 66 ILE H 1 66 ILE HG12 . . 4.010 3.660 2.471 4.056 0.046 10 0 "[ . 1 . 2]" 1 1658 1 66 ILE H 1 66 ILE HG13 . . 3.840 3.353 3.075 3.919 0.079 18 0 "[ . 1 . 2]" 1 1659 1 66 ILE H 1 66 ILE MG . . 3.980 3.928 3.774 3.973 . 0 0 "[ . 1 . 2]" 1 1660 1 66 ILE HA 1 66 ILE MD . . 3.790 3.514 2.428 3.851 0.061 6 0 "[ . 1 . 2]" 1 1661 1 66 ILE HA 1 66 ILE HG12 . . 3.940 2.719 2.237 3.570 . 0 0 "[ . 1 . 2]" 1 1662 1 66 ILE HA 1 66 ILE MG . . 3.200 2.383 2.217 2.655 . 0 0 "[ . 1 . 2]" 1 1663 1 66 ILE HA 1 67 LYS H . . 3.070 2.271 2.164 2.365 . 0 0 "[ . 1 . 2]" 1 1664 1 66 ILE HA 1 67 LYS HG2 . . 5.500 4.580 3.885 5.542 0.042 6 0 "[ . 1 . 2]" 1 1665 1 66 ILE HB 1 67 LYS H . . 4.600 4.353 3.977 4.505 . 0 0 "[ . 1 . 2]" 1 1666 1 66 ILE MD 1 67 LYS H . . 5.420 5.165 4.452 5.478 0.058 8 0 "[ . 1 . 2]" 1 1667 1 66 ILE MG 1 67 LYS H . . 4.170 3.100 2.711 3.582 . 0 0 "[ . 1 . 2]" 1 1668 1 66 ILE MG 1 67 LYS HA . . 4.410 4.276 4.015 4.443 0.033 19 0 "[ . 1 . 2]" 1 1669 1 66 ILE MG 1 68 GLU H . . 3.500 2.341 2.076 2.757 . 0 0 "[ . 1 . 2]" 1 1670 1 66 ILE MG 1 68 GLU HA . . 4.550 4.483 4.236 4.588 0.038 2 0 "[ . 1 . 2]" 1 1671 1 66 ILE MG 1 69 MET H . . 5.500 4.885 4.522 5.426 . 0 0 "[ . 1 . 2]" 1 1672 1 67 LYS H 1 67 LYS HB2 . . 3.410 3.044 1.944 3.555 0.145 7 0 "[ . 1 . 2]" 1 1673 1 67 LYS H 1 67 LYS HB3 . . 3.760 2.998 2.298 3.729 . 0 0 "[ . 1 . 2]" 1 1674 1 67 LYS H 1 67 LYS QD . . 4.650 3.935 3.226 4.467 . 0 0 "[ . 1 . 2]" 1 1675 1 67 LYS H 1 67 LYS HG2 . . 4.110 2.832 1.980 3.908 . 0 0 "[ . 1 . 2]" 1 1676 1 67 LYS H 1 67 LYS HG3 . . 4.080 2.942 1.806 4.125 0.045 6 0 "[ . 1 . 2]" 1 1677 1 67 LYS H 1 68 GLU H . . 3.480 2.634 2.299 2.806 . 0 0 "[ . 1 . 2]" 1 1678 1 67 LYS HA 1 67 LYS HB2 . . 2.840 2.637 2.322 2.985 0.145 9 0 "[ . 1 . 2]" 1 1679 1 67 LYS HA 1 67 LYS QE . . 4.820 4.465 3.919 4.854 0.034 2 0 "[ . 1 . 2]" 1 1680 1 67 LYS HA 1 67 LYS HG2 . . 4.100 3.345 2.485 3.911 . 0 0 "[ . 1 . 2]" 1 1681 1 67 LYS HA 1 67 LYS HG3 . . 3.720 3.512 2.942 3.785 0.065 8 0 "[ . 1 . 2]" 1 1682 1 67 LYS HA 1 68 GLU H . . 3.560 3.353 3.142 3.514 . 0 0 "[ . 1 . 2]" 1 1683 1 67 LYS HA 1 69 MET ME . . 3.940 2.651 2.223 3.226 . 0 0 "[ . 1 . 2]" 1 1684 1 67 LYS HB2 1 68 GLU H . . 4.080 3.801 2.902 4.185 0.105 8 0 "[ . 1 . 2]" 1 1685 1 67 LYS HG3 1 68 GLU H . . 5.450 3.880 2.810 5.504 0.054 6 0 "[ . 1 . 2]" 1 1686 1 68 GLU H 1 68 GLU HB2 . . 3.790 2.282 1.889 3.647 . 0 0 "[ . 1 . 2]" 1 1687 1 68 GLU H 1 68 GLU HB3 . . 3.130 3.163 2.532 3.318 0.188 16 0 "[ . 1 . 2]" 1 1688 1 68 GLU H 1 68 GLU QG . . 3.990 2.737 1.801 3.760 . 0 0 "[ . 1 . 2]" 1 1689 1 68 GLU H 1 68 GLU HG3 . . 3.940 3.373 1.969 4.029 0.089 2 0 "[ . 1 . 2]" 1 1690 1 68 GLU H 1 69 MET H . . 4.780 3.659 3.447 4.003 . 0 0 "[ . 1 . 2]" 1 1691 1 68 GLU H 1 69 MET ME . . 5.270 4.477 3.768 5.218 . 0 0 "[ . 1 . 2]" 1 1692 1 68 GLU HA 1 68 GLU HB2 . . 2.940 2.878 2.345 3.002 0.062 17 0 "[ . 1 . 2]" 1 1693 1 68 GLU HA 1 68 GLU QG . . 3.580 2.596 2.093 3.392 . 0 0 "[ . 1 . 2]" 1 1694 1 68 GLU HA 1 69 MET H . . 3.570 2.724 2.359 2.964 . 0 0 "[ . 1 . 2]" 1 1695 1 68 GLU HA 1 70 HIS H . . 4.940 3.313 3.090 3.627 . 0 0 "[ . 1 . 2]" 1 1696 1 68 GLU HB2 1 70 HIS H . . 5.140 5.034 4.127 5.223 0.083 4 0 "[ . 1 . 2]" 1 1697 1 69 MET H 1 69 MET HG3 . . 4.690 3.243 2.226 4.066 . 0 0 "[ . 1 . 2]" 1 1698 1 69 MET HA 1 69 MET HG2 . . 4.010 3.251 2.459 3.603 . 0 0 "[ . 1 . 2]" 1 1699 1 69 MET HA 1 69 MET HG3 . . 3.670 2.345 2.060 2.837 . 0 0 "[ . 1 . 2]" 1 1700 1 69 MET HA 1 71 GLY H . . 4.770 3.130 2.817 3.737 . 0 0 "[ . 1 . 2]" 1 1701 1 69 MET HA 1 72 LEU HB2 . . 4.230 2.496 2.084 3.656 . 0 0 "[ . 1 . 2]" 1 1702 1 69 MET HA 1 72 LEU MD1 . . 3.730 2.494 1.983 3.456 . 0 0 "[ . 1 . 2]" 1 1703 1 69 MET HA 1 72 LEU MD2 . . 5.140 3.626 3.354 3.843 . 0 0 "[ . 1 . 2]" 1 1704 1 69 MET HA 1 72 LEU HG . . 4.480 3.605 2.056 4.514 0.034 10 0 "[ . 1 . 2]" 1 1705 1 69 MET HG2 1 72 LEU HB2 . . 3.920 3.476 2.747 3.963 0.043 8 0 "[ . 1 . 2]" 1 1706 1 69 MET HG2 1 72 LEU MD1 . . 5.360 3.283 2.173 4.568 . 0 0 "[ . 1 . 2]" 1 1707 1 69 MET HG3 1 72 LEU MD1 . . 5.350 2.582 2.041 3.237 . 0 0 "[ . 1 . 2]" 1 1708 1 69 MET HG3 1 72 LEU MD2 . . 3.830 3.225 2.185 3.883 0.053 6 0 "[ . 1 . 2]" 1 1709 1 70 HIS H 1 71 GLY H . . 4.720 2.573 2.345 2.758 . 0 0 "[ . 1 . 2]" 1 1710 1 70 HIS H 1 71 GLY HA2 . . 5.500 5.312 5.126 5.511 0.011 10 0 "[ . 1 . 2]" 1 1711 1 70 HIS HA 1 71 GLY H . . 3.400 3.452 3.404 3.478 0.078 3 0 "[ . 1 . 2]" 1 1712 1 70 HIS HA 1 72 LEU H . . 4.460 4.096 3.778 4.470 0.010 17 0 "[ . 1 . 2]" 1 1713 1 70 HIS HB2 1 71 GLY H . . 4.200 4.076 3.858 4.247 0.047 18 0 "[ . 1 . 2]" 1 1714 1 70 HIS HB3 1 71 GLY H . . 4.680 3.619 2.628 4.493 . 0 0 "[ . 1 . 2]" 1 1715 1 71 GLY H 1 72 LEU H . . 4.500 2.495 2.155 2.937 . 0 0 "[ . 1 . 2]" 1 1716 1 71 GLY H 1 72 LEU MD1 . . 5.500 3.814 2.842 5.330 . 0 0 "[ . 1 . 2]" 1 1717 1 71 GLY H 1 72 LEU MD2 . . 5.500 5.079 4.058 5.555 0.055 18 0 "[ . 1 . 2]" 1 1718 1 71 GLY H 1 72 LEU HG . . 5.500 4.824 3.630 5.502 0.002 16 0 "[ . 1 . 2]" 1 1719 1 71 GLY HA2 1 72 LEU H . . 3.450 3.463 3.395 3.509 0.059 16 0 "[ . 1 . 2]" 1 1720 1 71 GLY HA3 1 72 LEU H . . 3.210 3.103 2.869 3.231 0.021 4 0 "[ . 1 . 2]" 1 1721 1 71 GLY HA3 1 72 LEU HA . . 4.900 4.292 4.109 4.426 . 0 0 "[ . 1 . 2]" 1 1722 1 71 GLY HA3 1 72 LEU MD1 . . 5.100 3.761 2.545 5.188 0.088 2 0 "[ . 1 . 2]" 1 1723 1 72 LEU H 1 72 LEU HB2 . . 3.460 2.446 2.318 2.555 . 0 0 "[ . 1 . 2]" 1 1724 1 72 LEU H 1 72 LEU HB3 . . 4.020 3.634 3.560 3.714 . 0 0 "[ . 1 . 2]" 1 1725 1 72 LEU H 1 72 LEU MD1 . . 4.450 3.034 2.226 4.066 . 0 0 "[ . 1 . 2]" 1 1726 1 72 LEU H 1 72 LEU MD2 . . 4.670 3.887 3.062 4.435 . 0 0 "[ . 1 . 2]" 1 1727 1 72 LEU H 1 72 LEU HG . . 4.010 3.377 2.558 3.934 . 0 0 "[ . 1 . 2]" 1 1728 1 72 LEU H 1 73 ARG H . . 4.780 4.470 4.227 4.591 . 0 0 "[ . 1 . 2]" 1 1729 1 72 LEU HA 1 72 LEU MD1 . . 4.070 3.173 2.877 3.597 . 0 0 "[ . 1 . 2]" 1 1730 1 72 LEU HA 1 72 LEU MD2 . . 3.290 2.867 1.941 3.368 0.078 14 0 "[ . 1 . 2]" 1 1731 1 72 LEU HA 1 72 LEU HG . . 4.140 2.472 2.017 3.348 . 0 0 "[ . 1 . 2]" 1 1732 1 72 LEU HA 1 73 ARG H . . 2.890 1.993 1.845 2.104 . 0 0 "[ . 1 . 2]" 1 1733 1 72 LEU HA 1 73 ARG HA . . 5.120 4.423 4.331 4.491 . 0 0 "[ . 1 . 2]" 1 1734 1 72 LEU HA 1 73 ARG QB . . 4.440 3.833 3.610 4.097 . 0 0 "[ . 1 . 2]" 1 1735 1 72 LEU HA 1 74 ILE H . . 5.500 5.461 5.168 5.556 0.056 17 0 "[ . 1 . 2]" 1 1736 1 72 LEU HB2 1 72 LEU MD1 . . 3.660 2.474 2.370 2.597 . 0 0 "[ . 1 . 2]" 1 1737 1 72 LEU HB2 1 73 ARG H . . 4.990 4.195 4.031 4.426 . 0 0 "[ . 1 . 2]" 1 1738 1 72 LEU HB3 1 72 LEU MD2 . . 3.570 2.271 2.137 2.514 . 0 0 "[ . 1 . 2]" 1 1739 1 72 LEU HB3 1 73 ARG H . . 3.990 3.110 2.763 3.554 . 0 0 "[ . 1 . 2]" 1 1740 1 72 LEU HB3 1 74 ILE HG13 . . 4.810 3.242 2.934 3.570 . 0 0 "[ . 1 . 2]" 1 1741 1 72 LEU HB3 1 74 ILE MG . . 5.500 4.786 4.127 5.222 . 0 0 "[ . 1 . 2]" 1 1742 1 72 LEU MD1 1 73 ARG H . . 4.550 4.590 4.561 4.624 0.074 20 0 "[ . 1 . 2]" 1 1743 1 72 LEU MD2 1 73 ARG H . . 4.420 3.813 3.134 4.423 0.003 20 0 "[ . 1 . 2]" 1 1744 1 72 LEU MD2 1 74 ILE MG . . 5.180 5.015 4.596 5.246 0.066 6 0 "[ . 1 . 2]" 1 1745 1 72 LEU HG 1 73 ARG H . . 5.190 4.104 3.463 5.185 . 0 0 "[ . 1 . 2]" 1 1746 1 73 ARG H 1 73 ARG QB . . 3.400 2.461 2.316 2.639 . 0 0 "[ . 1 . 2]" 1 1747 1 73 ARG H 1 73 ARG HD2 . . 5.500 5.181 4.880 5.473 . 0 0 "[ . 1 . 2]" 1 1748 1 73 ARG H 1 73 ARG HG2 . . 5.130 4.577 4.492 4.647 . 0 0 "[ . 1 . 2]" 1 1749 1 73 ARG H 1 73 ARG HG3 . . 5.010 4.569 4.208 4.744 . 0 0 "[ . 1 . 2]" 1 1750 1 73 ARG H 1 74 ILE H . . 4.930 4.088 3.828 4.419 . 0 0 "[ . 1 . 2]" 1 1751 1 73 ARG H 1 74 ILE HG12 . . 5.150 3.911 3.443 4.476 . 0 0 "[ . 1 . 2]" 1 1752 1 73 ARG HA 1 73 ARG HD2 . . 4.420 4.382 4.290 4.468 0.048 8 0 "[ . 1 . 2]" 1 1753 1 73 ARG HA 1 73 ARG HD3 . . 4.410 4.472 4.441 4.493 0.083 1 0 "[ . 1 . 2]" 1 1754 1 73 ARG HA 1 73 ARG HG2 . . 4.180 2.678 2.478 2.781 . 0 0 "[ . 1 . 2]" 1 1755 1 73 ARG HA 1 74 ILE H . . 2.760 2.179 2.115 2.229 . 0 0 "[ . 1 . 2]" 1 1756 1 73 ARG HA 1 74 ILE HB . . 5.080 4.998 4.870 5.099 0.019 9 0 "[ . 1 . 2]" 1 1757 1 73 ARG HA 1 74 ILE HG12 . . 4.730 4.454 4.189 4.640 . 0 0 "[ . 1 . 2]" 1 1758 1 73 ARG HA 1 75 PHE QE . . 5.080 4.484 4.163 4.753 . 0 0 "[ . 1 . 2]" 1 1759 1 73 ARG QB 1 73 ARG HD2 . . 3.780 2.386 2.277 2.507 . 0 0 "[ . 1 . 2]" 1 1760 1 73 ARG QB 1 73 ARG HD3 . . 3.760 2.613 2.280 3.349 . 0 0 "[ . 1 . 2]" 1 1761 1 73 ARG QB 1 74 ILE H . . 4.010 3.985 3.770 4.027 0.017 3 0 "[ . 1 . 2]" 1 1762 1 73 ARG QB 1 75 PHE QE . . 3.620 2.898 2.415 3.593 . 0 0 "[ . 1 . 2]" 1 1763 1 73 ARG HD2 1 75 PHE QE . . 4.080 3.737 2.439 4.110 0.030 20 0 "[ . 1 . 2]" 1 1764 1 73 ARG HD3 1 75 PHE QE . . 4.080 2.780 2.240 4.008 . 0 0 "[ . 1 . 2]" 1 1765 1 73 ARG HG2 1 74 ILE H . . 4.710 3.616 3.167 4.099 . 0 0 "[ . 1 . 2]" 1 1766 1 73 ARG HG2 1 75 PHE QE . . 5.350 2.448 2.326 2.547 . 0 0 "[ . 1 . 2]" 1 1767 1 73 ARG HG3 1 74 ILE H . . 4.880 4.084 3.745 4.388 . 0 0 "[ . 1 . 2]" 1 1768 1 73 ARG HG3 1 75 PHE QE . . 4.020 4.030 4.018 4.048 0.028 10 0 "[ . 1 . 2]" 1 1769 1 74 ILE H 1 74 ILE HB . . 3.120 2.878 2.783 3.014 . 0 0 "[ . 1 . 2]" 1 1770 1 74 ILE H 1 74 ILE MD . . 5.070 3.980 3.916 4.196 . 0 0 "[ . 1 . 2]" 1 1771 1 74 ILE H 1 74 ILE HG12 . . 3.660 3.294 3.086 3.603 . 0 0 "[ . 1 . 2]" 1 1772 1 74 ILE H 1 74 ILE HG13 . . 4.270 2.403 2.294 2.718 . 0 0 "[ . 1 . 2]" 1 1773 1 74 ILE H 1 74 ILE MG . . 4.270 3.947 3.909 4.021 . 0 0 "[ . 1 . 2]" 1 1774 1 74 ILE H 1 75 PHE H . . 4.670 4.429 4.338 4.496 . 0 0 "[ . 1 . 2]" 1 1775 1 74 ILE H 1 75 PHE QE . . 5.370 4.772 4.478 5.074 . 0 0 "[ . 1 . 2]" 1 1776 1 74 ILE HA 1 74 ILE HG12 . . 3.870 2.858 2.701 3.083 . 0 0 "[ . 1 . 2]" 1 1777 1 74 ILE HA 1 74 ILE HG13 . . 3.700 3.524 3.434 3.635 . 0 0 "[ . 1 . 2]" 1 1778 1 74 ILE HA 1 74 ILE MG . . 3.330 2.309 2.248 2.342 . 0 0 "[ . 1 . 2]" 1 1779 1 74 ILE HA 1 75 PHE H . . 2.830 1.884 1.836 1.933 . 0 0 "[ . 1 . 2]" 1 1780 1 74 ILE HA 1 75 PHE HA . . 4.750 4.281 4.232 4.318 . 0 0 "[ . 1 . 2]" 1 1781 1 74 ILE HA 1 75 PHE HB3 . . 4.860 5.044 5.016 5.082 0.222 20 0 "[ . 1 . 2]" 1 1782 1 74 ILE HA 1 75 PHE QD . . 5.090 2.865 2.549 3.955 . 0 0 "[ . 1 . 2]" 1 1783 1 74 ILE HB 1 74 ILE MD . . 2.400 2.423 2.409 2.437 0.037 15 0 "[ . 1 . 2]" 1 1784 1 74 ILE HB 1 75 PHE H . . 4.160 3.714 3.625 3.875 . 0 0 "[ . 1 . 2]" 1 1785 1 74 ILE MD 1 74 ILE MG . . 3.210 2.029 2.005 2.054 . 0 0 "[ . 1 . 2]" 1 1786 1 74 ILE HG12 1 74 ILE MG . . 3.350 2.552 2.377 2.664 . 0 0 "[ . 1 . 2]" 1 1787 1 74 ILE HG12 1 75 PHE H . . 5.480 4.453 4.275 4.760 . 0 0 "[ . 1 . 2]" 1 1788 1 74 ILE HG13 1 74 ILE MG . . 3.220 3.218 3.181 3.232 0.012 13 0 "[ . 1 . 2]" 1 1789 1 74 ILE MG 1 75 PHE H . . 3.590 2.198 2.103 2.389 . 0 0 "[ . 1 . 2]" 1 1790 1 74 ILE MG 1 75 PHE HA . . 4.900 3.933 3.740 4.309 . 0 0 "[ . 1 . 2]" 1 1791 1 74 ILE MG 1 75 PHE HB2 . . 5.380 4.088 3.962 4.213 . 0 0 "[ . 1 . 2]" 1 1792 1 74 ILE MG 1 75 PHE QD . . 5.500 4.274 4.081 4.660 . 0 0 "[ . 1 . 2]" 1 1793 1 74 ILE MG 1 76 THR H . . 4.530 4.365 4.093 4.555 0.025 12 0 "[ . 1 . 2]" 1 1794 1 74 ILE MG 1 76 THR HA . . 4.800 4.629 4.428 4.823 0.023 6 0 "[ . 1 . 2]" 1 1795 1 74 ILE MG 1 76 THR MG . . 3.240 2.467 2.174 2.859 . 0 0 "[ . 1 . 2]" 1 1796 1 75 PHE H 1 75 PHE HB2 . . 3.970 2.308 2.214 2.398 . 0 0 "[ . 1 . 2]" 1 1797 1 75 PHE H 1 75 PHE HB3 . . 3.680 3.511 3.445 3.574 . 0 0 "[ . 1 . 2]" 1 1798 1 75 PHE H 1 75 PHE QD . . 3.790 2.826 2.608 3.377 . 0 0 "[ . 1 . 2]" 1 1799 1 75 PHE H 1 75 PHE QE . . 4.850 4.884 4.866 4.902 0.052 13 0 "[ . 1 . 2]" 1 1800 1 75 PHE H 1 76 THR H . . 4.550 4.252 3.921 4.375 . 0 0 "[ . 1 . 2]" 1 1801 1 75 PHE H 1 76 THR MG . . 5.050 3.830 3.646 4.092 . 0 0 "[ . 1 . 2]" 1 1802 1 75 PHE HA 1 75 PHE QD . . 3.790 2.908 2.413 3.225 . 0 0 "[ . 1 . 2]" 1 1803 1 75 PHE HA 1 75 PHE QE . . 4.860 4.725 4.482 4.883 0.023 19 0 "[ . 1 . 2]" 1 1804 1 75 PHE HA 1 76 THR H . . 2.780 2.187 2.117 2.271 . 0 0 "[ . 1 . 2]" 1 1805 1 75 PHE HA 1 76 THR HA . . 5.100 4.595 4.546 4.643 . 0 0 "[ . 1 . 2]" 1 1806 1 75 PHE HA 1 76 THR MG . . 5.210 4.048 3.880 4.372 . 0 0 "[ . 1 . 2]" 1 1807 1 75 PHE HB2 1 76 THR H . . 4.920 4.335 4.195 4.529 . 0 0 "[ . 1 . 2]" 1 1808 1 75 PHE HB3 1 76 THR H . . 4.530 3.557 3.277 4.087 . 0 0 "[ . 1 . 2]" 1 1809 1 75 PHE QD 1 76 THR H . . 4.840 4.387 4.029 4.655 . 0 0 "[ . 1 . 2]" 1 1810 1 76 THR H 1 76 THR HB . . 3.880 3.779 3.590 3.862 . 0 0 "[ . 1 . 2]" 1 1811 1 76 THR H 1 76 THR MG . . 4.080 3.178 2.835 3.354 . 0 0 "[ . 1 . 2]" 1 1812 1 76 THR HA 1 76 THR MG . . 3.160 2.383 2.312 2.450 . 0 0 "[ . 1 . 2]" 1 1813 1 76 THR HA 1 77 SER H . . 2.810 2.154 2.065 2.243 . 0 0 "[ . 1 . 2]" 1 1814 1 76 THR HA 1 77 SER HA . . 4.540 4.456 4.399 4.527 . 0 0 "[ . 1 . 2]" 1 1815 1 76 THR HA 1 77 SER HB2 . . 5.420 5.484 5.051 5.556 0.136 5 0 "[ . 1 . 2]" 1 1816 1 76 THR HA 1 77 SER HB3 . . 5.310 4.851 4.341 5.255 . 0 0 "[ . 1 . 2]" 1 1817 1 76 THR HB 1 77 SER H . . 3.540 2.691 2.488 3.009 . 0 0 "[ . 1 . 2]" 1 1818 1 76 THR HB 1 77 SER HA . . 3.930 3.959 3.944 3.978 0.048 17 0 "[ . 1 . 2]" 1 1819 1 76 THR MG 1 77 SER H . . 3.950 3.606 3.458 3.752 . 0 0 "[ . 1 . 2]" 1 1820 1 77 SER H 1 77 SER HB3 . . 3.970 3.673 2.761 3.913 . 0 0 "[ . 1 . 2]" 1 1821 1 77 SER H 1 78 VAL MG1 . . 5.500 5.308 5.063 5.519 0.019 14 0 "[ . 1 . 2]" 1 1822 1 77 SER HA 1 77 SER HB3 . . 2.900 2.341 2.253 2.944 0.044 4 0 "[ . 1 . 2]" 1 1823 1 77 SER HA 1 78 VAL H . . 2.860 2.557 2.447 2.628 . 0 0 "[ . 1 . 2]" 1 1824 1 77 SER HB2 1 78 VAL H . . 3.070 2.266 2.069 3.101 0.031 4 0 "[ . 1 . 2]" 1 1825 1 77 SER HB2 1 78 VAL MG1 . . 4.680 4.297 4.125 4.724 0.044 4 0 "[ . 1 . 2]" 1 1826 1 77 SER HB3 1 78 VAL H . . 3.360 3.373 3.149 3.416 0.056 5 0 "[ . 1 . 2]" 1 1827 1 77 SER HB3 1 78 VAL MG1 . . 5.430 5.003 4.783 5.335 . 0 0 "[ . 1 . 2]" 1 1828 1 78 VAL H 1 78 VAL HB . . 3.530 3.335 3.254 3.490 . 0 0 "[ . 1 . 2]" 1 1829 1 78 VAL H 1 78 VAL MG1 . . 3.240 2.381 2.272 2.574 . 0 0 "[ . 1 . 2]" 1 1830 1 78 VAL H 1 78 VAL MG2 . . 4.050 3.975 3.935 4.054 0.004 4 0 "[ . 1 . 2]" 1 1831 1 78 VAL H 1 79 PRO HA . . 5.390 4.835 4.576 4.969 . 0 0 "[ . 1 . 2]" 1 1832 1 78 VAL H 1 79 PRO HD3 . . 5.350 4.576 4.342 4.740 . 0 0 "[ . 1 . 2]" 1 1833 1 78 VAL HA 1 78 VAL MG2 . . 3.570 2.351 2.276 2.427 . 0 0 "[ . 1 . 2]" 1 1834 1 78 VAL HA 1 79 PRO HD2 . . 3.210 2.289 2.164 2.434 . 0 0 "[ . 1 . 2]" 1 1835 1 78 VAL HA 1 79 PRO HD3 . . 3.170 2.258 2.192 2.320 . 0 0 "[ . 1 . 2]" 1 1836 1 78 VAL HA 1 79 PRO HG2 . . 4.670 4.443 4.359 4.527 . 0 0 "[ . 1 . 2]" 1 1837 1 78 VAL HA 1 79 PRO HG3 . . 4.330 4.384 4.363 4.403 0.073 3 0 "[ . 1 . 2]" 1 1838 1 78 VAL MG1 1 79 PRO HD2 . . 4.720 4.276 4.159 4.379 . 0 0 "[ . 1 . 2]" 1 1839 1 78 VAL MG1 1 79 PRO HD3 . . 5.010 4.824 4.745 4.897 . 0 0 "[ . 1 . 2]" 1 1840 1 78 VAL MG2 1 79 PRO HA . . 5.500 4.212 3.990 4.359 . 0 0 "[ . 1 . 2]" 1 1841 1 78 VAL MG2 1 79 PRO HD2 . . 3.540 2.038 1.960 2.192 . 0 0 "[ . 1 . 2]" 1 1842 1 78 VAL MG2 1 79 PRO HD3 . . 3.710 3.345 3.185 3.504 . 0 0 "[ . 1 . 2]" 1 1843 1 78 VAL MG2 1 79 PRO HG3 . . 5.260 4.392 4.284 4.571 . 0 0 "[ . 1 . 2]" 1 1844 1 79 PRO HA 1 80 LYS H . . 2.750 2.120 1.943 2.263 . 0 0 "[ . 1 . 2]" 1 1845 1 79 PRO HA 1 80 LYS HB3 . . 4.870 4.736 4.332 4.969 0.099 8 0 "[ . 1 . 2]" 1 1846 1 79 PRO HA 1 81 ARG H . . 5.360 4.622 3.864 5.407 0.047 10 0 "[ . 1 . 2]" 1 1847 1 79 PRO HB2 1 80 LYS H . . 4.120 3.736 3.373 4.123 0.003 4 0 "[ . 1 . 2]" 1 1848 1 79 PRO HB2 1 81 ARG H . . 5.240 4.470 3.730 5.273 0.033 7 0 "[ . 1 . 2]" 1 1849 1 79 PRO HB3 1 80 LYS H . . 4.180 4.144 3.932 4.254 0.074 16 0 "[ . 1 . 2]" 1 1850 1 80 LYS H 1 80 LYS HB3 . . 3.370 2.987 2.581 3.423 0.053 8 0 "[ . 1 . 2]" 1 1851 1 80 LYS H 1 80 LYS HG2 . . 4.250 4.237 3.621 4.385 0.135 2 0 "[ . 1 . 2]" 1 1852 1 80 LYS H 1 80 LYS HG3 . . 4.710 4.608 3.774 4.773 0.063 3 0 "[ . 1 . 2]" 1 1853 1 80 LYS H 1 81 ARG H . . 4.040 3.113 2.274 3.832 . 0 0 "[ . 1 . 2]" 1 1854 1 80 LYS HA 1 80 LYS QE . . 4.430 4.126 3.509 4.442 0.012 4 0 "[ . 1 . 2]" 1 1855 1 80 LYS HA 1 80 LYS HG2 . . 4.040 2.775 2.183 3.387 . 0 0 "[ . 1 . 2]" 1 1856 1 80 LYS HA 1 80 LYS HG3 . . 3.760 3.022 2.400 3.682 . 0 0 "[ . 1 . 2]" 1 1857 1 80 LYS HA 1 81 ARG H . . 2.830 2.506 2.083 2.897 0.067 18 0 "[ . 1 . 2]" 1 1858 1 80 LYS HB3 1 80 LYS QE . . 4.220 3.875 2.285 4.251 0.031 3 0 "[ . 1 . 2]" 1 1859 1 80 LYS HB3 1 81 ARG H . . 4.510 4.359 4.000 4.536 0.026 16 0 "[ . 1 . 2]" 1 1860 1 80 LYS HB3 1 81 ARG HA . . 5.500 5.037 4.503 5.502 0.002 9 0 "[ . 1 . 2]" 1 1861 1 81 ARG H 1 81 ARG HB2 . . 3.700 2.814 2.268 3.729 0.029 7 0 "[ . 1 . 2]" 1 1862 1 81 ARG H 1 81 ARG HB3 . . 3.570 2.891 2.189 3.649 0.079 12 0 "[ . 1 . 2]" 1 1863 1 81 ARG H 1 81 ARG QD . . 5.260 4.365 2.925 4.892 . 0 0 "[ . 1 . 2]" 1 1864 1 81 ARG H 1 81 ARG QG . . 4.910 3.478 2.108 4.164 . 0 0 "[ . 1 . 2]" 1 1865 1 81 ARG HA 1 81 ARG QG . . 3.230 2.603 2.236 3.301 0.071 5 0 "[ . 1 . 2]" 1 stop_ save_
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