NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
469364 | 1afi | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1afi 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 753 _Distance_constraint_stats_list.Viol_count 1694 _Distance_constraint_stats_list.Viol_total 3077.963 _Distance_constraint_stats_list.Viol_max 0.440 _Distance_constraint_stats_list.Viol_rms 0.0369 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0102 _Distance_constraint_stats_list.Viol_average_violations_only 0.0908 _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 1 ALA 0.318 0.096 10 0 "[ . 1 . 2]" 1 2 THR 11.284 0.440 18 0 "[ . 1 . 2]" 1 3 GLN 7.899 0.440 18 0 "[ . 1 . 2]" 1 4 THR 0.280 0.062 3 0 "[ . 1 . 2]" 1 5 VAL 10.666 0.286 2 0 "[ . 1 . 2]" 1 6 THR 8.088 0.278 2 0 "[ . 1 . 2]" 1 7 LEU 7.254 0.262 19 0 "[ . 1 . 2]" 1 8 ALA 0.296 0.034 2 0 "[ . 1 . 2]" 1 9 VAL 2.776 0.143 9 0 "[ . 1 . 2]" 1 11 GLY 2.510 0.220 19 0 "[ . 1 . 2]" 1 12 MET 3.076 0.198 17 0 "[ . 1 . 2]" 1 13 THR 2.408 0.140 7 0 "[ . 1 . 2]" 1 14 CYS 1.925 0.157 19 0 "[ . 1 . 2]" 1 15 ALA 0.540 0.142 14 0 "[ . 1 . 2]" 1 16 ALA 1.839 0.198 17 0 "[ . 1 . 2]" 1 17 CYS 4.740 0.220 19 0 "[ . 1 . 2]" 1 19 ILE 0.103 0.038 6 0 "[ . 1 . 2]" 1 20 THR 6.659 0.196 9 0 "[ . 1 . 2]" 1 21 VAL 4.101 0.196 9 0 "[ . 1 . 2]" 1 22 LYS 1.886 0.133 1 0 "[ . 1 . 2]" 1 23 LYS 2.819 0.181 18 0 "[ . 1 . 2]" 1 24 ALA 10.873 0.397 15 0 "[ . 1 . 2]" 1 25 LEU 9.460 0.397 15 0 "[ . 1 . 2]" 1 26 SER 6.709 0.224 9 0 "[ . 1 . 2]" 1 27 LYS 4.385 0.224 9 0 "[ . 1 . 2]" 1 28 VAL 3.132 0.189 14 0 "[ . 1 . 2]" 1 29 GLU 2.544 0.189 14 0 "[ . 1 . 2]" 1 30 GLY 0.726 0.094 15 0 "[ . 1 . 2]" 1 31 VAL 7.817 0.328 15 0 "[ . 1 . 2]" 1 32 SER 6.363 0.162 11 0 "[ . 1 . 2]" 1 33 LYS 10.491 0.328 15 0 "[ . 1 . 2]" 1 34 VAL 1.464 0.121 5 0 "[ . 1 . 2]" 1 35 ASP 1.186 0.121 5 0 "[ . 1 . 2]" 1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 GLY 0.599 0.088 14 0 "[ . 1 . 2]" 1 38 PHE 1.940 0.149 11 0 "[ . 1 . 2]" 1 39 GLU 0.025 0.020 6 0 "[ . 1 . 2]" 1 40 LYS 1.702 0.137 10 0 "[ . 1 . 2]" 1 41 ARG 0.020 0.020 6 0 "[ . 1 . 2]" 1 42 GLU 2.380 0.137 10 0 "[ . 1 . 2]" 1 43 ALA 4.445 0.262 19 0 "[ . 1 . 2]" 1 44 VAL 1.490 0.122 12 0 "[ . 1 . 2]" 1 45 VAL 3.699 0.181 11 0 "[ . 1 . 2]" 1 46 THR 3.023 0.155 4 0 "[ . 1 . 2]" 1 47 PHE 11.254 0.258 13 0 "[ . 1 . 2]" 1 48 ASP 2.076 0.185 5 0 "[ . 1 . 2]" 1 49 ASP 2.492 0.144 10 0 "[ . 1 . 2]" 1 50 THR 1.547 0.122 20 0 "[ . 1 . 2]" 1 51 LYS 1.539 0.246 17 0 "[ . 1 . 2]" 1 52 ALA 2.634 0.246 17 0 "[ . 1 . 2]" 1 53 SER 1.316 0.101 17 0 "[ . 1 . 2]" 1 54 VAL 1.549 0.195 16 0 "[ . 1 . 2]" 1 55 GLN 0.870 0.148 18 0 "[ . 1 . 2]" 1 56 LYS 1.763 0.111 16 0 "[ . 1 . 2]" 1 57 LEU 1.469 0.099 17 0 "[ . 1 . 2]" 1 58 THR 0.648 0.081 5 0 "[ . 1 . 2]" 1 59 LYS 6.828 0.202 2 0 "[ . 1 . 2]" 1 60 ALA 5.149 0.183 6 0 "[ . 1 . 2]" 1 61 THR 7.324 0.185 15 0 "[ . 1 . 2]" 1 62 ALA 6.801 0.185 15 0 "[ . 1 . 2]" 1 63 ASP 2.378 0.119 13 0 "[ . 1 . 2]" 1 64 ALA 1.446 0.114 3 0 "[ . 1 . 2]" 1 65 GLY 2.267 0.114 3 0 "[ . 1 . 2]" 1 66 TYR 6.999 0.147 9 0 "[ . 1 . 2]" 1 68 SER 1.864 0.143 9 0 "[ . 1 . 2]" 1 69 SER 6.053 0.226 11 0 "[ . 1 . 2]" 1 70 VAL 11.237 0.226 11 0 "[ . 1 . 2]" 1 71 LYS 12.541 0.324 1 0 "[ . 1 . 2]" 1 72 GLN 7.846 0.324 1 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 48 ASP HA 2.580 . 2.700 2.296 1.830 2.711 0.070 18 0 "[ . 1 . 2]" 1 2 1 1 ALA HA 1 2 THR H 2.240 . 2.700 2.563 2.198 2.796 0.096 10 0 "[ . 1 . 2]" 1 3 1 1 ALA MB 1 2 THR H 2.780 . 4.300 2.950 1.969 3.725 . 0 0 "[ . 1 . 2]" 1 4 1 2 THR H 1 2 THR HA 2.820 . 3.300 2.915 2.742 2.947 . 0 0 "[ . 1 . 2]" 1 5 1 2 THR H 1 2 THR HB 2.880 . 3.300 3.465 2.560 3.633 0.333 16 0 "[ . 1 . 2]" 1 6 1 2 THR H 1 2 THR MG 2.770 . 4.300 3.127 2.010 3.678 . 0 0 "[ . 1 . 2]" 1 7 1 2 THR H 1 3 GLN QG 3.990 . 6.000 3.567 2.478 4.874 . 0 0 "[ . 1 . 2]" 1 8 1 2 THR H 1 3 GLN H 2.980 . 3.300 3.484 3.432 3.740 0.440 18 0 "[ . 1 . 2]" 1 9 1 2 THR HA 1 3 GLN H 2.310 . 2.700 2.331 2.140 2.976 0.276 18 0 "[ . 1 . 2]" 1 10 1 2 THR HB 1 3 GLN H 2.720 . 5.000 4.160 3.297 4.447 . 0 0 "[ . 1 . 2]" 1 11 1 3 GLN H 1 3 GLN QB 2.630 . 3.700 2.333 2.126 3.119 . 0 0 "[ . 1 . 2]" 1 12 1 3 GLN H 1 3 GLN QG 3.090 . 4.300 3.190 2.077 3.912 . 0 0 "[ . 1 . 2]" 1 13 1 3 GLN H 1 46 THR HA 3.490 . 5.000 4.921 4.160 5.078 0.078 11 0 "[ . 1 . 2]" 1 14 1 3 GLN H 1 46 THR MG 3.400 . 6.000 4.229 2.920 4.617 . 0 0 "[ . 1 . 2]" 1 15 1 3 GLN H 1 47 PHE HA 4.350 . 5.000 5.164 4.814 5.258 0.258 13 0 "[ . 1 . 2]" 1 16 1 3 GLN H 1 47 PHE HD1 4.240 . 5.000 3.949 3.583 5.048 0.048 18 0 "[ . 1 . 2]" 1 17 1 3 GLN H 1 47 PHE H 2.880 . 3.300 3.168 2.590 3.298 . 0 0 "[ . 1 . 2]" 1 18 1 3 GLN H 1 49 ASP QB 4.430 . 6.000 3.887 3.573 5.388 . 0 0 "[ . 1 . 2]" 1 19 1 3 GLN H 1 49 ASP H 3.800 . 5.000 3.555 3.141 4.903 . 0 0 "[ . 1 . 2]" 1 20 1 4 THR HA 1 46 THR HA 2.180 . 2.700 2.117 1.891 2.712 0.012 18 0 "[ . 1 . 2]" 1 21 1 3 GLN HA 1 4 THR H 2.420 . 2.700 2.372 2.242 2.613 . 0 0 "[ . 1 . 2]" 1 22 1 3 GLN QB 1 4 THR H 3.090 . 4.300 2.681 2.080 3.083 . 0 0 "[ . 1 . 2]" 1 23 1 3 GLN QG 1 4 THR H 3.420 . 6.000 3.536 2.361 4.346 . 0 0 "[ . 1 . 2]" 1 24 1 3 GLN H 1 4 THR H 3.760 . 5.000 4.552 4.328 4.601 . 0 0 "[ . 1 . 2]" 1 25 1 4 THR H 1 4 THR HB 2.890 . 3.300 2.916 2.500 3.312 0.012 6 0 "[ . 1 . 2]" 1 26 1 4 THR H 1 4 THR MG 3.340 . 6.000 2.879 1.838 3.947 0.062 3 0 "[ . 1 . 2]" 1 27 1 4 THR H 1 5 VAL H 3.940 . 5.000 4.286 3.948 4.561 . 0 0 "[ . 1 . 2]" 1 28 1 4 THR HA 1 5 VAL H 2.210 . 2.700 2.238 2.197 2.348 . 0 0 "[ . 1 . 2]" 1 29 1 4 THR HB 1 5 VAL H 3.270 . 5.000 4.226 3.795 4.431 . 0 0 "[ . 1 . 2]" 1 30 1 5 VAL H 1 5 VAL HA 2.840 . 3.300 3.001 2.971 3.021 . 0 0 "[ . 1 . 2]" 1 31 1 5 VAL H 1 5 VAL HB 3.140 . 3.300 3.161 2.651 3.581 0.281 14 0 "[ . 1 . 2]" 1 32 1 5 VAL H 1 5 VAL QG 2.360 . 5.100 2.185 1.772 2.747 0.128 14 0 "[ . 1 . 2]" 1 33 1 5 VAL H 1 6 THR HA 4.200 . 5.000 4.781 4.585 4.919 . 0 0 "[ . 1 . 2]" 1 34 1 5 VAL H 1 6 THR H 3.840 . 5.000 4.436 4.373 4.500 . 0 0 "[ . 1 . 2]" 1 35 1 5 VAL H 1 44 VAL QG 3.340 . 7.400 3.805 3.412 4.238 . 0 0 "[ . 1 . 2]" 1 36 1 5 VAL H 1 45 VAL HB 3.330 . 5.000 4.608 3.464 5.138 0.138 16 0 "[ . 1 . 2]" 1 37 1 5 VAL H 1 45 VAL H 2.890 . 3.300 3.220 2.808 3.350 0.050 6 0 "[ . 1 . 2]" 1 38 1 5 VAL H 1 47 PHE HD2 3.770 . 5.000 4.221 3.702 4.741 . 0 0 "[ . 1 . 2]" 1 39 1 5 VAL H 1 47 PHE HE2 3.430 . 5.000 3.633 2.940 4.262 . 0 0 "[ . 1 . 2]" 1 40 1 5 VAL H 1 57 LEU MD1 4.510 . 6.000 3.633 3.079 4.272 . 0 0 "[ . 1 . 2]" 1 41 1 6 THR HA 1 44 VAL HA 2.210 . 2.700 1.973 1.840 2.248 0.060 12 0 "[ . 1 . 2]" 1 42 1 5 VAL HA 1 6 THR H 2.200 . 2.700 2.407 2.338 2.463 . 0 0 "[ . 1 . 2]" 1 43 1 5 VAL HB 1 6 THR H 2.700 . 3.300 3.239 2.494 3.578 0.278 2 0 "[ . 1 . 2]" 1 44 1 6 THR H 1 6 THR HB 2.580 . 3.300 3.367 3.044 3.500 0.200 18 0 "[ . 1 . 2]" 1 45 1 6 THR H 1 6 THR MG 2.480 . 3.700 2.776 1.775 3.147 0.125 12 0 "[ . 1 . 2]" 1 46 1 6 THR H 1 7 LEU QD 4.170 . 7.400 3.598 3.483 3.724 . 0 0 "[ . 1 . 2]" 1 47 1 6 THR H 1 7 LEU H 3.760 . 5.000 4.517 4.474 4.540 . 0 0 "[ . 1 . 2]" 1 48 1 6 THR H 1 44 VAL QG 4.010 . 7.400 4.229 3.661 4.706 . 0 0 "[ . 1 . 2]" 1 49 1 6 THR H 1 45 VAL H 4.330 . 5.000 5.045 5.015 5.091 0.091 10 0 "[ . 1 . 2]" 1 50 1 6 THR H 1 71 LYS QB 4.190 . 6.000 3.457 2.984 4.963 . 0 0 "[ . 1 . 2]" 1 51 1 6 THR H 1 71 LYS H 3.740 . 5.000 3.195 3.102 3.331 . 0 0 "[ . 1 . 2]" 1 52 1 7 LEU MD1 1 57 LEU MD1 2.920 . 5.300 2.867 2.655 3.191 . 0 0 "[ . 1 . 2]" 1 53 1 7 LEU MD2 1 57 LEU MD1 2.660 . 4.700 2.975 2.800 3.127 . 0 0 "[ . 1 . 2]" 1 54 1 7 LEU HA 1 70 VAL HA 2.300 . 2.700 2.024 1.946 2.176 . 0 0 "[ . 1 . 2]" 1 55 1 6 THR HA 1 7 LEU H 2.420 . 2.700 2.443 2.358 2.538 . 0 0 "[ . 1 . 2]" 1 56 1 6 THR HB 1 7 LEU H 3.680 . 5.000 3.046 2.647 3.849 . 0 0 "[ . 1 . 2]" 1 57 1 6 THR MG 1 7 LEU H 2.690 . 4.300 3.543 3.417 3.747 . 0 0 "[ . 1 . 2]" 1 58 1 7 LEU H 1 7 LEU QB 2.900 . 4.300 2.370 2.281 2.456 . 0 0 "[ . 1 . 2]" 1 59 1 7 LEU H 1 7 LEU MD1 3.560 . 6.000 3.196 3.095 3.291 . 0 0 "[ . 1 . 2]" 1 60 1 7 LEU H 1 7 LEU MD2 3.400 . 6.000 4.212 3.992 4.338 . 0 0 "[ . 1 . 2]" 1 61 1 7 LEU H 1 7 LEU HG 3.390 . 5.000 4.681 4.631 4.718 . 0 0 "[ . 1 . 2]" 1 62 1 7 LEU H 1 9 VAL QG 3.620 . 7.400 4.887 4.836 4.941 . 0 0 "[ . 1 . 2]" 1 63 1 7 LEU H 1 42 GLU HA 4.080 . 5.000 4.073 3.813 4.293 . 0 0 "[ . 1 . 2]" 1 64 1 7 LEU H 1 42 GLU QG 4.740 . 6.000 4.213 1.869 5.019 0.031 16 0 "[ . 1 . 2]" 1 65 1 7 LEU H 1 43 ALA H 3.160 . 3.300 2.434 1.859 2.884 0.041 19 0 "[ . 1 . 2]" 1 66 1 7 LEU H 1 44 VAL HA 3.290 . 5.000 3.430 3.025 3.830 . 0 0 "[ . 1 . 2]" 1 67 1 7 LEU H 1 44 VAL HB 4.200 . 5.000 4.782 4.204 5.122 0.122 12 0 "[ . 1 . 2]" 1 68 1 7 LEU HA 1 8 ALA H 2.270 . 2.700 2.322 2.300 2.358 . 0 0 "[ . 1 . 2]" 1 69 1 7 LEU QB 1 8 ALA H 3.310 . 6.000 2.938 2.813 3.043 . 0 0 "[ . 1 . 2]" 1 70 1 7 LEU MD1 1 8 ALA H 3.100 . 4.300 3.557 3.515 3.595 . 0 0 "[ . 1 . 2]" 1 71 1 7 LEU HG 1 8 ALA H 3.100 . 3.300 3.148 3.015 3.282 . 0 0 "[ . 1 . 2]" 1 72 1 7 LEU H 1 8 ALA H 3.820 . 5.000 4.454 4.434 4.482 . 0 0 "[ . 1 . 2]" 1 73 1 8 ALA H 1 8 ALA MB 2.410 . 3.700 2.223 2.127 2.336 . 0 0 "[ . 1 . 2]" 1 74 1 8 ALA H 1 68 SER HA 3.780 . 5.000 4.527 4.429 4.611 . 0 0 "[ . 1 . 2]" 1 75 1 8 ALA H 1 68 SER QB 3.520 . 6.000 3.614 3.042 4.095 . 0 0 "[ . 1 . 2]" 1 76 1 8 ALA H 1 69 SER H 2.960 . 3.300 2.274 2.152 2.347 . 0 0 "[ . 1 . 2]" 1 77 1 8 ALA H 1 70 VAL HA 3.120 . 3.300 3.188 3.109 3.270 . 0 0 "[ . 1 . 2]" 1 78 1 8 ALA H 1 70 VAL HB 4.330 . 5.000 4.933 4.841 5.019 0.019 16 0 "[ . 1 . 2]" 1 79 1 8 ALA H 1 70 VAL QG 3.460 . 7.400 4.456 4.403 4.508 . 0 0 "[ . 1 . 2]" 1 80 1 8 ALA H 1 71 LYS QD 3.460 . 6.000 4.936 4.361 5.414 . 0 0 "[ . 1 . 2]" 1 81 1 8 ALA H 1 71 LYS H 3.430 . 5.000 4.994 4.743 5.034 0.034 2 0 "[ . 1 . 2]" 1 82 1 8 ALA HA 1 9 VAL H 2.220 . 2.700 2.253 2.212 2.297 . 0 0 "[ . 1 . 2]" 1 83 1 8 ALA MB 1 9 VAL H 2.800 . 4.300 3.523 3.385 3.619 . 0 0 "[ . 1 . 2]" 1 84 1 8 ALA H 1 9 VAL H 3.780 . 5.000 4.200 4.039 4.359 . 0 0 "[ . 1 . 2]" 1 85 1 9 VAL H 1 9 VAL HB 2.790 . 3.300 3.119 2.669 3.290 . 0 0 "[ . 1 . 2]" 1 86 1 9 VAL H 1 9 VAL QG 2.720 . 4.700 1.851 1.798 2.001 0.102 6 0 "[ . 1 . 2]" 1 87 1 9 VAL H 1 41 ARG QB 3.430 . 6.000 3.675 3.360 4.696 . 0 0 "[ . 1 . 2]" 1 88 1 9 VAL H 1 41 ARG QG 3.730 . 6.000 4.881 3.113 5.522 . 0 0 "[ . 1 . 2]" 1 89 1 9 VAL H 1 42 GLU HA 2.830 . 3.300 2.294 1.925 2.549 . 0 0 "[ . 1 . 2]" 1 90 1 9 VAL H 1 43 ALA MB 4.130 . 6.000 4.616 4.169 4.888 . 0 0 "[ . 1 . 2]" 1 91 1 9 VAL H 1 43 ALA H 3.730 . 5.000 3.969 3.464 4.387 . 0 0 "[ . 1 . 2]" 1 92 1 9 VAL QG 1 11 GLY H 3.270 . 5.300 2.081 1.796 2.448 0.104 16 0 "[ . 1 . 2]" 1 93 1 11 GLY H 1 12 MET QG 4.820 . 6.000 4.311 3.462 5.435 . 0 0 "[ . 1 . 2]" 1 94 1 11 GLY H 1 12 MET H 3.300 . 3.300 2.411 2.011 2.882 . 0 0 "[ . 1 . 2]" 1 95 1 11 GLY H 1 17 CYS HA 3.420 . 5.000 5.078 4.680 5.220 0.220 19 0 "[ . 1 . 2]" 1 96 1 11 GLY H 1 17 CYS QB 3.900 . 6.000 3.575 2.612 3.998 . 0 0 "[ . 1 . 2]" 1 97 1 11 GLY H 1 66 TYR QB 3.970 . 6.000 3.231 2.737 3.591 . 0 0 "[ . 1 . 2]" 1 98 1 11 GLY H 1 66 TYR HD1 3.900 . 5.000 3.740 3.365 4.082 . 0 0 "[ . 1 . 2]" 1 99 1 9 VAL QG 1 12 MET H 3.280 . 5.300 3.466 3.187 3.658 . 0 0 "[ . 1 . 2]" 1 100 1 11 GLY QA 1 12 MET H 3.550 . 6.000 2.712 2.440 2.858 . 0 0 "[ . 1 . 2]" 1 101 1 12 MET H 1 12 MET QB 2.810 . 4.300 2.906 2.595 3.397 . 0 0 "[ . 1 . 2]" 1 102 1 12 MET H 1 12 MET QG 2.870 . 4.300 3.021 2.422 3.843 . 0 0 "[ . 1 . 2]" 1 103 1 12 MET H 1 13 THR MG 4.420 . 6.000 4.898 4.845 4.953 . 0 0 "[ . 1 . 2]" 1 104 1 12 MET H 1 13 THR H 4.510 . 5.000 3.285 2.760 4.138 . 0 0 "[ . 1 . 2]" 1 105 1 12 MET H 1 41 ARG QD 4.190 . 6.000 3.115 2.328 4.172 . 0 0 "[ . 1 . 2]" 1 106 1 12 MET H 1 66 TYR QB 4.770 . 6.000 5.124 4.807 5.251 . 0 0 "[ . 1 . 2]" 1 107 1 12 MET H 1 66 TYR HD1 3.970 . 5.000 4.844 4.294 5.013 0.013 11 0 "[ . 1 . 2]" 1 108 1 12 MET QB 1 13 THR H 3.750 . 6.000 3.540 1.784 4.062 0.116 19 0 "[ . 1 . 2]" 1 109 1 13 THR H 1 13 THR MG 3.480 . 6.000 2.848 2.258 3.857 . 0 0 "[ . 1 . 2]" 1 110 1 13 THR H 1 14 CYS H 3.190 . 3.300 2.679 2.598 2.819 . 0 0 "[ . 1 . 2]" 1 111 1 13 THR H 1 17 CYS QB 3.940 . 6.000 2.484 1.789 4.308 0.111 10 0 "[ . 1 . 2]" 1 112 1 13 THR H 1 41 ARG QD 3.910 . 6.000 5.207 4.752 5.445 . 0 0 "[ . 1 . 2]" 1 113 1 12 MET QB 1 14 CYS H 4.340 . 6.000 3.645 2.645 4.220 . 0 0 "[ . 1 . 2]" 1 114 1 12 MET H 1 14 CYS H 4.370 . 5.000 4.878 4.385 5.157 0.157 19 0 "[ . 1 . 2]" 1 115 1 13 THR HB 1 14 CYS H 4.460 . 5.000 4.079 3.755 4.260 . 0 0 "[ . 1 . 2]" 1 116 1 13 THR MG 1 14 CYS H 3.920 . 6.000 3.598 1.829 4.447 0.071 14 0 "[ . 1 . 2]" 1 117 1 14 CYS H 1 14 CYS QB 4.450 . 6.000 2.971 2.701 3.144 . 0 0 "[ . 1 . 2]" 1 118 1 14 CYS H 1 15 ALA H 4.780 . 5.000 3.323 2.451 3.827 . 0 0 "[ . 1 . 2]" 1 119 1 14 CYS H 1 17 CYS QB 3.870 . 6.000 3.771 3.062 5.204 . 0 0 "[ . 1 . 2]" 1 120 1 14 CYS H 1 17 CYS H 4.070 . 5.000 3.756 3.282 4.305 . 0 0 "[ . 1 . 2]" 1 121 1 12 MET HA 1 15 ALA H 4.120 . 5.000 5.008 4.783 5.142 0.142 14 0 "[ . 1 . 2]" 1 122 1 14 CYS HA 1 15 ALA H 3.640 . 5.000 2.391 2.181 3.514 . 0 0 "[ . 1 . 2]" 1 123 1 14 CYS QB 1 15 ALA H 4.050 . 6.000 3.844 2.492 4.027 . 0 0 "[ . 1 . 2]" 1 124 1 15 ALA H 1 15 ALA MB 3.150 . 4.300 2.790 2.535 2.890 . 0 0 "[ . 1 . 2]" 1 125 1 15 ALA H 1 16 ALA H 4.320 . 5.000 2.707 1.841 3.225 0.059 14 0 "[ . 1 . 2]" 1 126 1 12 MET HA 1 16 ALA H 4.000 . 5.000 5.054 4.691 5.198 0.198 17 0 "[ . 1 . 2]" 1 127 1 14 CYS HA 1 16 ALA H 4.290 . 5.000 4.202 3.878 5.021 0.021 14 0 "[ . 1 . 2]" 1 128 1 14 CYS QB 1 16 ALA H 4.110 . 6.000 4.586 4.095 5.079 . 0 0 "[ . 1 . 2]" 1 129 1 15 ALA MB 1 16 ALA H 2.950 . 4.300 3.605 3.462 3.699 . 0 0 "[ . 1 . 2]" 1 130 1 16 ALA H 1 16 ALA HA 2.800 . 3.300 2.974 2.869 3.009 . 0 0 "[ . 1 . 2]" 1 131 1 16 ALA H 1 16 ALA MB 2.390 . 3.700 2.480 2.225 2.824 . 0 0 "[ . 1 . 2]" 1 132 1 16 ALA H 1 17 CYS H 2.810 . 3.300 1.970 1.839 2.102 0.061 14 0 "[ . 1 . 2]" 1 133 1 16 ALA H 1 19 ILE H 4.760 . 5.000 4.367 3.887 4.867 . 0 0 "[ . 1 . 2]" 1 134 1 13 THR HB 1 17 CYS H 2.850 . 3.300 3.381 3.279 3.440 0.140 7 0 "[ . 1 . 2]" 1 135 1 13 THR H 1 17 CYS H 4.380 . 5.000 3.140 2.303 5.049 0.049 19 0 "[ . 1 . 2]" 1 136 1 14 CYS QB 1 17 CYS H 4.070 . 6.000 5.407 5.281 5.585 . 0 0 "[ . 1 . 2]" 1 137 1 16 ALA MB 1 17 CYS H 2.870 . 4.300 2.644 2.431 2.994 . 0 0 "[ . 1 . 2]" 1 138 1 17 CYS H 1 17 CYS QB 3.200 . 4.300 2.096 1.926 2.989 . 0 0 "[ . 1 . 2]" 1 139 1 17 CYS H 1 19 ILE H 3.970 . 5.000 4.104 3.988 4.311 . 0 0 "[ . 1 . 2]" 1 140 1 17 CYS H 1 66 TYR HE1 4.220 . 5.000 5.002 4.796 5.091 0.091 12 0 "[ . 1 . 2]" 1 141 1 19 ILE H 1 19 ILE HA 2.890 . 3.300 2.955 2.894 2.971 . 0 0 "[ . 1 . 2]" 1 142 1 19 ILE H 1 19 ILE HB 2.560 . 2.700 2.244 2.050 2.484 . 0 0 "[ . 1 . 2]" 1 143 1 19 ILE H 1 19 ILE QG 2.850 . 4.300 2.613 1.967 3.560 . 0 0 "[ . 1 . 2]" 1 144 1 19 ILE H 1 19 ILE MG 3.030 . 4.300 3.662 3.523 3.735 . 0 0 "[ . 1 . 2]" 1 145 1 19 ILE H 1 20 THR MG 3.840 . 6.000 5.130 4.959 5.223 . 0 0 "[ . 1 . 2]" 1 146 1 19 ILE H 1 20 THR H . . 2.700 2.330 2.178 2.631 . 0 0 "[ . 1 . 2]" 1 147 1 19 ILE H 1 21 VAL H 3.760 . 5.000 3.682 3.437 4.316 . 0 0 "[ . 1 . 2]" 1 148 1 17 CYS HA 1 20 THR H 3.350 . 5.000 4.042 3.814 4.570 . 0 0 "[ . 1 . 2]" 1 149 1 19 ILE HA 1 20 THR H 3.260 . 5.000 3.527 3.467 3.571 . 0 0 "[ . 1 . 2]" 1 150 1 19 ILE HB 1 20 THR H 2.590 . 2.700 2.544 2.223 2.738 0.038 6 0 "[ . 1 . 2]" 1 151 1 19 ILE QG 1 20 THR H 3.930 . 6.000 4.087 3.663 4.425 . 0 0 "[ . 1 . 2]" 1 152 1 19 ILE MG 1 20 THR H 2.950 . 4.300 3.188 2.360 3.567 . 0 0 "[ . 1 . 2]" 1 153 1 20 THR H 1 20 THR HA 2.720 . 3.300 2.893 2.854 2.929 . 0 0 "[ . 1 . 2]" 1 154 1 20 THR H 1 20 THR HB 2.510 . 2.700 1.962 1.883 2.030 0.017 15 0 "[ . 1 . 2]" 1 155 1 20 THR H 1 20 THR MG 3.060 . 4.300 3.427 3.068 3.527 . 0 0 "[ . 1 . 2]" 1 156 1 20 THR H 1 21 VAL HA 4.280 . 5.000 5.150 5.110 5.196 0.196 9 0 "[ . 1 . 2]" 1 157 1 20 THR H 1 21 VAL HB 3.680 . 5.000 4.392 4.207 4.677 . 0 0 "[ . 1 . 2]" 1 158 1 20 THR H 1 21 VAL QG 3.680 . 7.400 3.982 3.614 4.213 . 0 0 "[ . 1 . 2]" 1 159 1 20 THR H 1 21 VAL H 2.710 . 3.300 2.479 2.421 2.533 . 0 0 "[ . 1 . 2]" 1 160 1 20 THR H 1 36 VAL QG 3.940 . 7.400 4.954 4.552 5.437 . 0 0 "[ . 1 . 2]" 1 161 1 21 VAL QG 1 25 LEU MD2 2.210 . 6.100 3.050 2.713 3.197 . 0 0 "[ . 1 . 2]" 1 162 1 9 VAL QG 1 21 VAL H 3.520 . 7.400 4.072 3.757 4.309 . 0 0 "[ . 1 . 2]" 1 163 1 19 ILE HA 1 21 VAL H 3.970 . 5.000 4.551 4.224 5.030 0.030 17 0 "[ . 1 . 2]" 1 164 1 20 THR HA 1 21 VAL H 3.580 . 5.000 3.554 3.520 3.580 . 0 0 "[ . 1 . 2]" 1 165 1 20 THR HB 1 21 VAL H 2.820 . 3.300 2.735 2.572 2.918 . 0 0 "[ . 1 . 2]" 1 166 1 20 THR MG 1 21 VAL H 3.250 . 6.000 2.679 1.888 2.976 0.012 17 0 "[ . 1 . 2]" 1 167 1 21 VAL H 1 21 VAL HA 2.910 . 3.300 2.850 2.807 2.884 . 0 0 "[ . 1 . 2]" 1 168 1 21 VAL H 1 21 VAL HB 2.550 . 2.700 2.271 2.147 2.482 . 0 0 "[ . 1 . 2]" 1 169 1 21 VAL H 1 21 VAL QG 2.630 . 5.700 2.265 1.838 2.521 0.062 10 0 "[ . 1 . 2]" 1 170 1 21 VAL H 1 22 LYS QB 3.740 . 6.000 4.229 4.029 4.369 . 0 0 "[ . 1 . 2]" 1 171 1 21 VAL H 1 43 ALA MB 4.270 . 6.000 5.022 4.945 5.128 . 0 0 "[ . 1 . 2]" 1 172 1 19 ILE H 1 22 LYS H 4.270 . 5.000 4.425 4.186 4.681 . 0 0 "[ . 1 . 2]" 1 173 1 20 THR HA 1 22 LYS H 3.860 . 5.000 4.569 4.294 4.899 . 0 0 "[ . 1 . 2]" 1 174 1 20 THR HB 1 22 LYS H 4.000 . 5.000 5.094 5.033 5.133 0.133 1 0 "[ . 1 . 2]" 1 175 1 20 THR H 1 22 LYS H 3.580 . 5.000 4.024 3.794 4.169 . 0 0 "[ . 1 . 2]" 1 176 1 21 VAL HA 1 22 LYS H 3.510 . 5.000 3.558 3.542 3.574 . 0 0 "[ . 1 . 2]" 1 177 1 21 VAL HB 1 22 LYS H 2.470 . 2.700 2.425 2.270 2.583 . 0 0 "[ . 1 . 2]" 1 178 1 21 VAL QG 1 22 LYS H 3.180 . 5.700 2.976 2.824 3.164 . 0 0 "[ . 1 . 2]" 1 179 1 22 LYS H 1 22 LYS HA 2.600 . 3.300 2.812 2.761 2.844 . 0 0 "[ . 1 . 2]" 1 180 1 22 LYS H 1 22 LYS QB 2.540 . 3.700 2.134 2.033 2.190 . 0 0 "[ . 1 . 2]" 1 181 1 22 LYS H 1 23 LYS QG 3.620 . 6.000 4.479 3.900 5.097 . 0 0 "[ . 1 . 2]" 1 182 1 22 LYS H 1 24 ALA H 3.580 . 5.000 3.960 3.730 4.094 . 0 0 "[ . 1 . 2]" 1 183 1 22 LYS H 1 36 VAL QG 2.870 . 5.700 3.115 2.210 4.079 . 0 0 "[ . 1 . 2]" 1 184 1 19 ILE MG 1 23 LYS H 3.970 . 6.000 4.407 4.229 4.652 . 0 0 "[ . 1 . 2]" 1 185 1 21 VAL HA 1 23 LYS H 4.230 . 5.000 4.545 4.187 4.928 . 0 0 "[ . 1 . 2]" 1 186 1 21 VAL QG 1 23 LYS H 4.590 . 7.400 4.622 4.448 4.893 . 0 0 "[ . 1 . 2]" 1 187 1 22 LYS HA 1 23 LYS H 3.240 . 5.000 3.585 3.566 3.600 . 0 0 "[ . 1 . 2]" 1 188 1 22 LYS QB 1 23 LYS H 2.860 . 4.300 2.340 2.123 2.580 . 0 0 "[ . 1 . 2]" 1 189 1 23 LYS H 1 23 LYS HA 2.760 . 3.300 2.898 2.881 2.918 . 0 0 "[ . 1 . 2]" 1 190 1 23 LYS H 1 23 LYS QB 2.390 . 3.700 2.278 2.037 2.530 . 0 0 "[ . 1 . 2]" 1 191 1 23 LYS H 1 23 LYS QG 3.220 . 6.000 2.313 1.849 2.885 0.051 9 0 "[ . 1 . 2]" 1 192 1 23 LYS H 1 24 ALA H . . 2.700 2.608 2.480 2.764 0.064 17 0 "[ . 1 . 2]" 1 193 1 21 VAL HA 1 24 ALA H 3.230 . 3.300 3.282 3.165 3.381 0.081 8 0 "[ . 1 . 2]" 1 194 1 22 LYS HA 1 24 ALA H 3.830 . 5.000 4.110 3.754 4.401 . 0 0 "[ . 1 . 2]" 1 195 1 23 LYS HA 1 24 ALA H 3.100 . 3.300 3.430 3.303 3.481 0.181 18 0 "[ . 1 . 2]" 1 196 1 23 LYS QB 1 24 ALA H 2.580 . 4.300 3.228 2.791 3.909 . 0 0 "[ . 1 . 2]" 1 197 1 23 LYS QD 1 24 ALA H 3.630 . 6.000 4.802 3.123 5.419 . 0 0 "[ . 1 . 2]" 1 198 1 24 ALA H 1 24 ALA HA 2.640 . 2.700 2.879 2.832 2.931 0.231 16 0 "[ . 1 . 2]" 1 199 1 24 ALA H 1 24 ALA MB 2.300 . 3.700 1.969 1.903 2.150 . 0 0 "[ . 1 . 2]" 1 200 1 24 ALA H 1 25 LEU MD1 4.050 . 6.000 3.286 3.153 3.409 . 0 0 "[ . 1 . 2]" 1 201 1 24 ALA H 1 25 LEU HG 3.380 . 5.000 5.205 5.091 5.397 0.397 15 0 "[ . 1 . 2]" 1 202 1 24 ALA H 1 27 LYS QE 4.840 . 6.000 5.077 4.443 5.427 . 0 0 "[ . 1 . 2]" 1 203 1 25 LEU MD2 1 57 LEU MD1 3.360 . 7.000 3.714 3.089 4.802 . 0 0 "[ . 1 . 2]" 1 204 1 25 LEU MD2 1 57 LEU MD2 3.010 . 5.300 2.781 2.179 3.559 . 0 0 "[ . 1 . 2]" 1 205 1 21 VAL HA 1 25 LEU H 3.980 . 5.000 3.972 3.730 4.231 . 0 0 "[ . 1 . 2]" 1 206 1 21 VAL QG 1 25 LEU H 3.710 . 7.400 3.716 3.569 4.027 . 0 0 "[ . 1 . 2]" 1 207 1 22 LYS HA 1 25 LEU H 3.500 . 5.000 4.238 3.985 4.616 . 0 0 "[ . 1 . 2]" 1 208 1 24 ALA HA 1 25 LEU H 3.280 . 5.000 3.559 3.508 3.584 . 0 0 "[ . 1 . 2]" 1 209 1 24 ALA MB 1 25 LEU H 2.690 . 4.300 2.189 1.889 2.443 0.011 15 0 "[ . 1 . 2]" 1 210 1 25 LEU H 1 25 LEU HA 2.790 . 3.300 2.874 2.827 2.933 . 0 0 "[ . 1 . 2]" 1 211 1 25 LEU H 1 25 LEU QB 2.570 . 3.700 2.494 2.273 3.004 . 0 0 "[ . 1 . 2]" 1 212 1 25 LEU H 1 25 LEU MD1 2.880 . 4.300 1.757 1.559 1.869 0.341 8 0 "[ . 1 . 2]" 1 213 1 25 LEU H 1 25 LEU MD2 3.100 . 4.300 3.128 1.607 3.779 0.293 20 0 "[ . 1 . 2]" 1 214 1 25 LEU H 1 25 LEU HG 2.700 . 3.300 2.833 2.408 3.429 0.129 16 0 "[ . 1 . 2]" 1 215 1 25 LEU H 1 26 SER H . . 2.700 2.568 2.320 2.724 0.024 4 0 "[ . 1 . 2]" 1 216 1 25 LEU H 1 27 LYS H 4.120 . 5.000 4.060 3.888 4.581 . 0 0 "[ . 1 . 2]" 1 217 1 25 LEU H 1 43 ALA MB 3.510 . 6.000 5.036 4.903 5.157 . 0 0 "[ . 1 . 2]" 1 218 1 22 LYS HA 1 26 SER H 3.590 . 5.000 4.357 4.150 4.546 . 0 0 "[ . 1 . 2]" 1 219 1 24 ALA MB 1 26 SER H 3.450 . 6.000 4.061 3.678 4.326 . 0 0 "[ . 1 . 2]" 1 220 1 25 LEU QB 1 26 SER H 2.860 . 4.300 2.910 2.504 3.724 . 0 0 "[ . 1 . 2]" 1 221 1 25 LEU MD1 1 26 SER H 2.860 . 4.300 3.563 3.431 3.709 . 0 0 "[ . 1 . 2]" 1 222 1 25 LEU MD2 1 26 SER H 3.770 . 6.000 3.934 1.700 4.932 0.200 8 0 "[ . 1 . 2]" 1 223 1 25 LEU HG 1 26 SER H 3.480 . 5.000 4.505 4.222 4.630 . 0 0 "[ . 1 . 2]" 1 224 1 26 SER H 1 27 LYS HA 4.220 . 5.000 5.167 5.072 5.224 0.224 9 0 "[ . 1 . 2]" 1 225 1 26 SER H 1 27 LYS H 2.750 . 3.300 2.477 2.355 2.570 . 0 0 "[ . 1 . 2]" 1 226 1 26 SER H 1 28 VAL HB 4.380 . 5.000 4.950 4.665 5.063 0.063 7 0 "[ . 1 . 2]" 1 227 1 26 SER H 1 28 VAL QG 3.750 . 7.400 4.218 3.762 4.665 . 0 0 "[ . 1 . 2]" 1 228 1 26 SER H 1 28 VAL H 3.950 . 5.000 3.764 3.520 3.899 . 0 0 "[ . 1 . 2]" 1 229 1 24 ALA MB 1 27 LYS H 4.040 . 6.000 4.526 4.339 4.676 . 0 0 "[ . 1 . 2]" 1 230 1 27 LYS H 1 27 LYS HA 2.680 . 3.300 2.961 2.906 2.988 . 0 0 "[ . 1 . 2]" 1 231 1 27 LYS H 1 27 LYS QB 2.810 . 4.300 2.335 1.954 2.774 . 0 0 "[ . 1 . 2]" 1 232 1 27 LYS H 1 27 LYS QD 2.530 . 3.700 2.857 1.912 3.417 . 0 0 "[ . 1 . 2]" 1 233 1 27 LYS H 1 27 LYS QE 4.140 . 6.000 4.345 3.834 4.598 . 0 0 "[ . 1 . 2]" 1 234 1 27 LYS H 1 27 LYS QG 2.780 . 4.300 3.111 1.811 3.936 0.089 15 0 "[ . 1 . 2]" 1 235 1 27 LYS H 1 28 VAL HA 3.940 . 5.000 4.632 4.425 4.907 . 0 0 "[ . 1 . 2]" 1 236 1 27 LYS H 1 28 VAL QG 3.410 . 7.400 3.743 3.502 3.964 . 0 0 "[ . 1 . 2]" 1 237 1 27 LYS H 1 28 VAL H 2.620 . 2.700 2.265 2.056 2.546 . 0 0 "[ . 1 . 2]" 1 238 1 27 LYS H 1 60 ALA MB 3.910 . 6.000 4.252 3.971 4.590 . 0 0 "[ . 1 . 2]" 1 239 1 25 LEU QB 1 28 VAL H 4.610 . 6.000 4.609 4.417 5.075 . 0 0 "[ . 1 . 2]" 1 240 1 27 LYS HA 1 28 VAL H 3.190 . 3.300 3.321 3.228 3.389 0.089 17 0 "[ . 1 . 2]" 1 241 1 27 LYS QB 1 28 VAL H 3.660 . 6.000 3.611 3.236 3.912 . 0 0 "[ . 1 . 2]" 1 242 1 27 LYS QD 1 28 VAL H 3.560 . 6.000 2.947 2.345 3.968 . 0 0 "[ . 1 . 2]" 1 243 1 27 LYS QG 1 28 VAL H 3.900 . 6.000 3.681 2.761 4.854 . 0 0 "[ . 1 . 2]" 1 244 1 28 VAL H 1 28 VAL HA 2.880 . 3.300 2.772 2.690 2.813 . 0 0 "[ . 1 . 2]" 1 245 1 28 VAL H 1 28 VAL HB 2.430 . 2.700 2.329 2.163 2.529 . 0 0 "[ . 1 . 2]" 1 246 1 28 VAL H 1 28 VAL QG 2.530 . 5.100 2.182 1.849 2.413 0.051 15 0 "[ . 1 . 2]" 1 247 1 28 VAL H 1 29 GLU H 3.810 . 5.000 3.229 2.952 3.626 . 0 0 "[ . 1 . 2]" 1 248 1 28 VAL H 1 31 VAL H 4.240 . 5.000 4.892 4.625 5.025 0.025 13 0 "[ . 1 . 2]" 1 249 1 28 VAL H 1 57 LEU MD2 4.060 . 6.000 4.780 4.188 5.030 . 0 0 "[ . 1 . 2]" 1 250 1 28 VAL H 1 60 ALA MB 3.890 . 6.000 3.546 3.167 3.860 . 0 0 "[ . 1 . 2]" 1 251 1 27 LYS HA 1 29 GLU H 4.470 . 5.000 4.487 3.833 5.038 0.038 4 0 "[ . 1 . 2]" 1 252 1 27 LYS QD 1 29 GLU H 4.090 . 6.000 4.953 4.584 5.450 . 0 0 "[ . 1 . 2]" 1 253 1 28 VAL HA 1 29 GLU H 2.060 . 5.000 3.580 3.521 3.625 . 0 0 "[ . 1 . 2]" 1 254 1 28 VAL QG 1 29 GLU H 2.590 . 5.100 1.826 1.711 2.343 0.189 14 0 "[ . 1 . 2]" 1 255 1 29 GLU H 1 29 GLU HA 2.710 . 3.300 2.838 2.759 2.902 . 0 0 "[ . 1 . 2]" 1 256 1 29 GLU H 1 29 GLU QB 2.280 . 3.700 2.927 2.776 3.376 . 0 0 "[ . 1 . 2]" 1 257 1 29 GLU H 1 29 GLU QG 3.220 . 4.300 3.842 2.554 3.978 . 0 0 "[ . 1 . 2]" 1 258 1 29 GLU H 1 31 VAL H 4.680 . 5.000 2.477 2.208 2.766 . 0 0 "[ . 1 . 2]" 1 259 1 29 GLU H 1 52 ALA MB 4.050 . 6.000 3.770 3.153 4.423 . 0 0 "[ . 1 . 2]" 1 260 1 29 GLU H 1 57 LEU MD2 4.760 . 6.000 4.937 4.572 5.018 . 0 0 "[ . 1 . 2]" 1 261 1 29 GLU QB 1 30 GLY H 3.240 . 4.300 2.172 1.814 3.441 0.086 2 0 "[ . 1 . 2]" 1 262 1 29 GLU QG 1 30 GLY H 3.310 . 6.000 3.680 1.806 4.294 0.094 15 0 "[ . 1 . 2]" 1 263 1 30 GLY H 1 30 GLY HA3 2.660 . 3.300 2.395 2.343 2.516 . 0 0 "[ . 1 . 2]" 1 264 1 30 GLY H 1 30 GLY HA2 2.910 . 3.300 2.940 2.868 2.996 . 0 0 "[ . 1 . 2]" 1 265 1 30 GLY H 1 31 VAL QG 3.620 . 7.400 3.769 2.873 4.131 . 0 0 "[ . 1 . 2]" 1 266 1 30 GLY H 1 31 VAL H 2.730 . 3.300 2.412 2.029 2.682 . 0 0 "[ . 1 . 2]" 1 267 1 30 GLY H 1 52 ALA MB 4.230 . 6.000 2.036 1.822 2.918 0.078 2 0 "[ . 1 . 2]" 1 268 1 31 VAL HA 1 47 PHE HA 2.240 . 2.700 2.399 2.138 2.597 . 0 0 "[ . 1 . 2]" 1 269 1 29 GLU QB 1 31 VAL H 4.230 . 6.000 3.930 3.608 4.837 . 0 0 "[ . 1 . 2]" 1 270 1 30 GLY HA3 1 31 VAL H 3.250 . 5.000 3.187 3.008 3.423 . 0 0 "[ . 1 . 2]" 1 271 1 30 GLY HA2 1 31 VAL H 3.320 . 5.000 3.384 3.165 3.502 . 0 0 "[ . 1 . 2]" 1 272 1 31 VAL H 1 31 VAL HB 2.320 . 2.700 2.379 2.176 2.564 . 0 0 "[ . 1 . 2]" 1 273 1 31 VAL H 1 31 VAL QG 2.430 . 3.700 2.142 1.829 2.445 0.071 4 0 "[ . 1 . 2]" 1 274 1 31 VAL H 1 32 SER H 3.990 . 5.000 4.598 4.574 4.621 . 0 0 "[ . 1 . 2]" 1 275 1 31 VAL H 1 47 PHE HA 3.980 . 5.000 4.794 4.450 4.997 . 0 0 "[ . 1 . 2]" 1 276 1 31 VAL H 1 47 PHE QB 4.480 . 6.000 3.372 3.080 3.787 . 0 0 "[ . 1 . 2]" 1 277 1 31 VAL H 1 51 LYS QB 4.550 . 6.000 4.919 4.356 5.323 . 0 0 "[ . 1 . 2]" 1 278 1 31 VAL H 1 52 ALA MB 4.020 . 6.000 2.965 2.453 3.714 . 0 0 "[ . 1 . 2]" 1 279 1 31 VAL H 1 57 LEU MD2 4.350 . 6.000 4.324 3.959 4.993 . 0 0 "[ . 1 . 2]" 1 280 1 26 SER HA 1 32 SER H 3.510 . 5.000 5.113 5.032 5.162 0.162 11 0 "[ . 1 . 2]" 1 281 1 31 VAL HA 1 32 SER H 2.320 . 2.700 2.149 2.121 2.181 . 0 0 "[ . 1 . 2]" 1 282 1 31 VAL HB 1 32 SER H 3.680 . 5.000 4.118 3.999 4.276 . 0 0 "[ . 1 . 2]" 1 283 1 31 VAL QG 1 32 SER H 2.520 . 5.100 2.281 2.024 2.553 . 0 0 "[ . 1 . 2]" 1 284 1 32 SER H 1 32 SER HA 2.980 . 3.300 2.996 2.988 3.001 . 0 0 "[ . 1 . 2]" 1 285 1 32 SER H 1 32 SER QB 3.200 . 4.300 2.416 2.247 2.817 . 0 0 "[ . 1 . 2]" 1 286 1 32 SER H 1 33 LYS HA 4.020 . 5.000 4.657 4.606 4.706 . 0 0 "[ . 1 . 2]" 1 287 1 32 SER H 1 33 LYS QB 3.950 . 6.000 3.906 3.735 4.048 . 0 0 "[ . 1 . 2]" 1 288 1 32 SER H 1 33 LYS QG 4.050 . 6.000 5.267 4.922 5.428 . 0 0 "[ . 1 . 2]" 1 289 1 32 SER H 1 33 LYS H 2.450 . 2.700 1.854 1.831 1.883 0.069 8 0 "[ . 1 . 2]" 1 290 1 32 SER H 1 46 THR HA 4.150 . 5.000 5.042 4.923 5.155 0.155 4 0 "[ . 1 . 2]" 1 291 1 32 SER H 1 46 THR MG 3.420 . 6.000 3.336 3.164 3.497 . 0 0 "[ . 1 . 2]" 1 292 1 32 SER H 1 47 PHE HA 2.690 . 3.300 1.996 1.829 2.237 0.071 8 0 "[ . 1 . 2]" 1 293 1 32 SER H 1 47 PHE QB 3.350 . 6.000 2.901 2.723 3.114 . 0 0 "[ . 1 . 2]" 1 294 1 32 SER H 1 47 PHE QD 4.590 . 7.000 4.715 4.578 4.911 . 0 0 "[ . 1 . 2]" 1 295 1 32 SER H 1 47 PHE H 4.360 . 5.000 4.225 4.014 4.485 . 0 0 "[ . 1 . 2]" 1 296 1 32 SER H 1 48 ASP H 3.740 . 5.000 4.153 4.043 4.338 . 0 0 "[ . 1 . 2]" 1 297 1 32 SER H 1 57 LEU MD2 4.670 . 6.000 5.061 4.998 5.130 . 0 0 "[ . 1 . 2]" 1 298 1 31 VAL HA 1 33 LYS H 2.980 . 3.300 3.576 3.505 3.628 0.328 15 0 "[ . 1 . 2]" 1 299 1 31 VAL HB 1 33 LYS H 4.270 . 5.000 4.769 4.456 5.042 0.042 11 0 "[ . 1 . 2]" 1 300 1 31 VAL QG 1 33 LYS H 2.510 . 5.100 2.138 1.828 2.384 0.072 16 0 "[ . 1 . 2]" 1 301 1 32 SER HA 1 33 LYS H 3.040 . 3.300 3.404 3.364 3.422 0.122 8 0 "[ . 1 . 2]" 1 302 1 32 SER QB 1 33 LYS H 3.370 . 6.000 3.099 2.975 3.230 . 0 0 "[ . 1 . 2]" 1 303 1 33 LYS H 1 33 LYS HA 2.820 . 3.300 2.936 2.889 2.980 . 0 0 "[ . 1 . 2]" 1 304 1 33 LYS H 1 33 LYS QB 2.660 . 3.700 2.720 2.577 2.833 . 0 0 "[ . 1 . 2]" 1 305 1 33 LYS H 1 33 LYS QG 3.500 . 6.000 3.815 3.506 4.020 . 0 0 "[ . 1 . 2]" 1 306 1 33 LYS H 1 34 VAL H 3.560 . 5.000 4.311 3.667 4.443 . 0 0 "[ . 1 . 2]" 1 307 1 33 LYS H 1 45 VAL HA 3.720 . 5.000 4.949 4.741 5.057 0.057 16 0 "[ . 1 . 2]" 1 308 1 33 LYS H 1 45 VAL QG 3.840 . 7.400 3.393 3.073 3.912 . 0 0 "[ . 1 . 2]" 1 309 1 33 LYS H 1 46 THR HA 3.940 . 5.000 5.002 4.918 5.063 0.063 5 0 "[ . 1 . 2]" 1 310 1 33 LYS H 1 46 THR HB 2.770 . 3.300 3.350 3.255 3.383 0.083 10 0 "[ . 1 . 2]" 1 311 1 33 LYS H 1 46 THR MG 3.090 . 4.300 3.318 3.267 3.394 . 0 0 "[ . 1 . 2]" 1 312 1 33 LYS H 1 47 PHE HA 3.540 . 5.000 3.636 3.504 3.811 . 0 0 "[ . 1 . 2]" 1 313 1 33 LYS H 1 47 PHE QB 4.490 . 6.000 4.021 3.859 4.242 . 0 0 "[ . 1 . 2]" 1 314 1 22 LYS QE 1 34 VAL H 3.910 . 6.000 4.471 3.659 5.375 . 0 0 "[ . 1 . 2]" 1 315 1 33 LYS HA 1 34 VAL H 2.130 . 2.700 2.402 2.199 2.495 . 0 0 "[ . 1 . 2]" 1 316 1 33 LYS QB 1 34 VAL H 2.960 . 4.300 3.466 3.258 3.989 . 0 0 "[ . 1 . 2]" 1 317 1 33 LYS QG 1 34 VAL H 2.830 . 4.300 2.213 1.805 3.261 0.095 11 0 "[ . 1 . 2]" 1 318 1 34 VAL H 1 34 VAL HA 2.680 . 3.300 2.955 2.905 3.005 . 0 0 "[ . 1 . 2]" 1 319 1 34 VAL H 1 34 VAL HB 2.690 . 3.300 3.049 2.389 3.409 0.109 13 0 "[ . 1 . 2]" 1 320 1 34 VAL H 1 34 VAL QG 2.730 . 5.700 2.473 2.104 3.129 . 0 0 "[ . 1 . 2]" 1 321 1 34 VAL H 1 45 VAL HA 4.000 . 5.000 4.446 4.172 4.678 . 0 0 "[ . 1 . 2]" 1 322 1 34 VAL H 1 46 THR HB 4.280 . 5.000 4.778 4.320 5.035 0.035 9 0 "[ . 1 . 2]" 1 323 1 22 LYS QD 1 35 ASP H 4.480 . 6.000 4.608 3.489 5.347 . 0 0 "[ . 1 . 2]" 1 324 1 25 LEU MD2 1 35 ASP H 4.390 . 6.000 4.672 3.996 4.950 . 0 0 "[ . 1 . 2]" 1 325 1 33 LYS QG 1 35 ASP H 4.120 . 6.000 4.745 4.430 5.296 . 0 0 "[ . 1 . 2]" 1 326 1 34 VAL HA 1 35 ASP H 2.220 . 2.700 2.435 2.302 2.632 . 0 0 "[ . 1 . 2]" 1 327 1 34 VAL HB 1 35 ASP H 3.540 . 5.000 3.841 3.130 4.138 . 0 0 "[ . 1 . 2]" 1 328 1 34 VAL QG 1 35 ASP H 2.540 . 5.100 1.959 1.779 2.658 0.121 5 0 "[ . 1 . 2]" 1 329 1 34 VAL H 1 35 ASP H 3.860 . 5.000 4.423 4.342 4.548 . 0 0 "[ . 1 . 2]" 1 330 1 35 ASP H 1 35 ASP HA 2.950 . 3.300 2.940 2.914 2.982 . 0 0 "[ . 1 . 2]" 1 331 1 35 ASP H 1 35 ASP QB 3.070 . 4.300 2.714 2.499 2.805 . 0 0 "[ . 1 . 2]" 1 332 1 35 ASP H 1 44 VAL H 2.820 . 3.300 3.314 3.237 3.359 0.059 13 0 "[ . 1 . 2]" 1 333 1 35 ASP H 1 45 VAL HA 3.240 . 5.000 3.369 3.135 3.709 . 0 0 "[ . 1 . 2]" 1 334 1 35 ASP H 1 44 VAL QG 3.400 . 7.400 2.960 2.584 3.849 . 0 0 "[ . 1 . 2]" 1 335 1 35 ASP HA 1 36 VAL H 2.820 . 3.300 2.458 2.331 2.597 . 0 0 "[ . 1 . 2]" 1 336 1 35 ASP QB 1 36 VAL H 3.680 . 6.000 2.906 2.356 3.453 . 0 0 "[ . 1 . 2]" 1 337 1 35 ASP H 1 36 VAL H 4.050 . 5.000 4.403 4.374 4.451 . 0 0 "[ . 1 . 2]" 1 338 1 36 VAL H 1 36 VAL HA 2.310 . 3.300 2.991 2.964 3.002 . 0 0 "[ . 1 . 2]" 1 339 1 36 VAL HB 1 37 GLY H 3.260 . 5.000 3.285 2.564 4.443 . 0 0 "[ . 1 . 2]" 1 340 1 36 VAL QG 1 37 GLY H 2.660 . 5.700 3.096 2.063 3.656 . 0 0 "[ . 1 . 2]" 1 341 1 37 GLY H 1 37 GLY HA3 2.690 . 3.300 2.635 2.478 2.716 . 0 0 "[ . 1 . 2]" 1 342 1 37 GLY H 1 42 GLU QB 4.020 . 6.000 5.043 4.242 5.355 . 0 0 "[ . 1 . 2]" 1 343 1 37 GLY H 1 42 GLU QG 4.350 . 6.000 3.926 3.101 5.200 . 0 0 "[ . 1 . 2]" 1 344 1 37 GLY H 1 42 GLU H 3.460 . 5.000 3.584 3.013 4.261 . 0 0 "[ . 1 . 2]" 1 345 1 37 GLY H 1 43 ALA HA 2.950 . 3.300 2.955 2.354 3.323 0.023 1 0 "[ . 1 . 2]" 1 346 1 37 GLY H 1 43 ALA MB 3.480 . 6.000 4.062 3.715 4.341 . 0 0 "[ . 1 . 2]" 1 347 1 17 CYS QB 1 38 PHE QD 3.020 . 6.300 4.445 3.173 5.166 . 0 0 "[ . 1 . 2]" 1 348 1 38 PHE HA 1 38 PHE QD 2.400 . 4.700 2.125 1.751 2.854 0.149 11 0 "[ . 1 . 2]" 1 349 1 38 PHE QB 1 38 PHE QD 2.540 . 5.700 2.220 2.157 2.269 . 0 0 "[ . 1 . 2]" 1 350 1 14 CYS HA 1 38 PHE QE 3.550 . 7.000 3.612 2.859 4.200 . 0 0 "[ . 1 . 2]" 1 351 1 12 MET HA 1 38 PHE QE 3.610 . 7.000 2.368 1.806 3.425 0.094 5 0 "[ . 1 . 2]" 1 352 1 12 MET QB 1 38 PHE QE 3.090 . 6.300 3.487 2.075 4.564 . 0 0 "[ . 1 . 2]" 1 353 1 17 CYS QB 1 38 PHE QE 3.420 . 8.000 2.955 1.872 4.298 0.028 4 0 "[ . 1 . 2]" 1 354 1 38 PHE HA 1 38 PHE QE 3.020 . 5.300 4.072 3.958 4.341 . 0 0 "[ . 1 . 2]" 1 355 1 14 CYS HA 1 38 PHE HZ 2.940 . 3.300 3.360 3.321 3.412 0.112 5 0 "[ . 1 . 2]" 1 356 1 9 VAL QG 1 38 PHE QE 3.910 . 7.400 4.638 3.903 5.191 . 0 0 "[ . 1 . 2]" 1 357 1 36 VAL HB 1 38 PHE H 4.240 . 5.000 4.381 3.223 4.945 . 0 0 "[ . 1 . 2]" 1 358 1 36 VAL QG 1 38 PHE H 4.440 . 7.400 3.603 2.166 4.714 . 0 0 "[ . 1 . 2]" 1 359 1 37 GLY HA3 1 38 PHE H 3.440 . 5.000 3.509 3.358 3.587 . 0 0 "[ . 1 . 2]" 1 360 1 38 PHE H 1 38 PHE QB 3.440 . 6.000 1.958 1.927 2.105 . 0 0 "[ . 1 . 2]" 1 361 1 38 PHE H 1 38 PHE QD 4.390 . 7.000 3.702 3.082 4.059 . 0 0 "[ . 1 . 2]" 1 362 1 38 PHE HA 1 39 GLU H 4.670 . 5.000 3.472 3.394 3.528 . 0 0 "[ . 1 . 2]" 1 363 1 38 PHE QB 1 39 GLU H 4.200 . 6.000 3.015 2.841 3.242 . 0 0 "[ . 1 . 2]" 1 364 1 38 PHE QD 1 39 GLU H 4.490 . 7.000 4.635 4.457 4.770 . 0 0 "[ . 1 . 2]" 1 365 1 39 GLU H 1 39 GLU QB 3.440 . 6.000 2.105 1.932 2.413 . 0 0 "[ . 1 . 2]" 1 366 1 39 GLU H 1 39 GLU QG 4.120 . 6.000 3.299 1.895 4.032 0.005 10 0 "[ . 1 . 2]" 1 367 1 39 GLU H 1 40 LYS H 3.880 . 5.000 2.805 2.632 3.058 . 0 0 "[ . 1 . 2]" 1 368 1 39 GLU HA 1 40 LYS H 3.530 . 5.000 3.512 3.445 3.585 . 0 0 "[ . 1 . 2]" 1 369 1 39 GLU QB 1 40 LYS H 3.240 . 4.300 2.805 2.094 3.569 . 0 0 "[ . 1 . 2]" 1 370 1 40 LYS H 1 40 LYS QB 3.040 . 4.300 2.572 2.067 3.032 . 0 0 "[ . 1 . 2]" 1 371 1 40 LYS H 1 40 LYS QD 3.640 . 6.000 4.341 3.103 4.865 . 0 0 "[ . 1 . 2]" 1 372 1 40 LYS H 1 41 ARG HA 3.930 . 5.000 4.312 4.140 4.672 . 0 0 "[ . 1 . 2]" 1 373 1 39 GLU HA 1 41 ARG H 3.730 . 5.000 4.519 3.949 5.020 0.020 6 0 "[ . 1 . 2]" 1 374 1 40 LYS HA 1 41 ARG H 3.280 . 5.000 2.947 2.707 3.294 . 0 0 "[ . 1 . 2]" 1 375 1 41 ARG H 1 41 ARG HA 2.550 . 2.700 2.374 2.357 2.387 . 0 0 "[ . 1 . 2]" 1 376 1 41 ARG H 1 41 ARG QB 3.130 . 4.300 2.935 2.456 3.321 . 0 0 "[ . 1 . 2]" 1 377 1 41 ARG H 1 41 ARG QD 3.710 . 6.000 3.314 2.224 4.813 . 0 0 "[ . 1 . 2]" 1 378 1 41 ARG H 1 41 ARG QG 3.250 . 4.300 3.242 2.030 4.214 . 0 0 "[ . 1 . 2]" 1 379 1 8 ALA HA 1 42 GLU HA 2.670 . 2.700 2.521 2.171 2.734 0.034 17 0 "[ . 1 . 2]" 1 380 1 9 VAL QG 1 42 GLU H 3.780 . 7.400 3.533 3.144 4.118 . 0 0 "[ . 1 . 2]" 1 381 1 37 GLY HA2 1 42 GLU H 4.100 . 5.000 5.007 4.839 5.088 0.088 14 0 "[ . 1 . 2]" 1 382 1 40 LYS HA 1 42 GLU H 4.120 . 5.000 5.085 5.027 5.137 0.137 10 0 "[ . 1 . 2]" 1 383 1 40 LYS QB 1 42 GLU H 3.680 . 6.000 4.053 3.521 5.028 . 0 0 "[ . 1 . 2]" 1 384 1 41 ARG HA 1 42 GLU H 2.790 . 3.300 2.663 2.596 2.732 . 0 0 "[ . 1 . 2]" 1 385 1 41 ARG QB 1 42 GLU H 3.080 . 4.300 3.924 3.889 3.989 . 0 0 "[ . 1 . 2]" 1 386 1 41 ARG QD 1 42 GLU H 4.390 . 6.000 4.754 4.084 5.491 . 0 0 "[ . 1 . 2]" 1 387 1 42 GLU H 1 42 GLU QB 2.860 . 4.300 2.987 2.452 3.195 . 0 0 "[ . 1 . 2]" 1 388 1 42 GLU H 1 42 GLU QG 3.570 . 6.000 2.434 1.853 4.123 0.047 8 0 "[ . 1 . 2]" 1 389 1 42 GLU H 1 43 ALA HA 4.630 . 5.000 4.717 4.640 4.787 . 0 0 "[ . 1 . 2]" 1 390 1 42 GLU H 1 43 ALA MB 4.020 . 6.000 4.935 4.839 5.021 . 0 0 "[ . 1 . 2]" 1 391 1 42 GLU H 1 43 ALA H 3.880 . 5.000 4.438 4.381 4.482 . 0 0 "[ . 1 . 2]" 1 392 1 6 THR HB 1 43 ALA H 4.570 . 5.000 5.039 4.681 5.166 0.166 19 0 "[ . 1 . 2]" 1 393 1 7 LEU HG 1 43 ALA H 3.780 . 5.000 5.147 5.102 5.262 0.262 19 0 "[ . 1 . 2]" 1 394 1 8 ALA HA 1 43 ALA H 3.470 . 5.000 4.044 3.693 4.328 . 0 0 "[ . 1 . 2]" 1 395 1 8 ALA MB 1 43 ALA H 4.220 . 7.000 5.156 4.922 5.322 . 0 0 "[ . 1 . 2]" 1 396 1 9 VAL QG 1 43 ALA H 3.550 . 7.400 2.924 2.445 3.484 . 0 0 "[ . 1 . 2]" 1 397 1 21 VAL QG 1 43 ALA H 3.010 . 5.700 3.705 3.294 3.935 . 0 0 "[ . 1 . 2]" 1 398 1 42 GLU HA 1 43 ALA H 2.360 . 2.700 2.366 2.256 2.538 . 0 0 "[ . 1 . 2]" 1 399 1 42 GLU QG 1 43 ALA H 4.080 . 6.000 3.693 2.038 4.440 . 0 0 "[ . 1 . 2]" 1 400 1 43 ALA H 1 43 ALA MB 2.570 . 3.700 2.347 2.219 2.494 . 0 0 "[ . 1 . 2]" 1 401 1 35 ASP QB 1 44 VAL H 3.600 . 6.000 3.098 2.443 3.487 . 0 0 "[ . 1 . 2]" 1 402 1 43 ALA HA 1 44 VAL H 2.270 . 2.700 2.267 2.233 2.318 . 0 0 "[ . 1 . 2]" 1 403 1 44 VAL H 1 44 VAL HB 2.520 . 2.700 2.594 2.148 2.744 0.044 3 0 "[ . 1 . 2]" 1 404 1 44 VAL H 1 44 VAL QG 2.440 . 5.000 2.133 1.837 2.978 0.063 2 0 "[ . 1 . 2]" 1 405 1 44 VAL H 1 45 VAL H 3.510 . 5.000 4.407 4.191 4.573 . 0 0 "[ . 1 . 2]" 1 406 1 6 THR HA 1 45 VAL H 3.060 . 3.300 3.339 3.092 3.481 0.181 11 0 "[ . 1 . 2]" 1 407 1 7 LEU QB 1 45 VAL H 4.320 . 7.000 4.638 4.255 4.965 . 0 0 "[ . 1 . 2]" 1 408 1 7 LEU H 1 45 VAL H 3.710 . 5.000 4.903 4.746 5.046 0.046 19 0 "[ . 1 . 2]" 1 409 1 25 LEU MD2 1 45 VAL H 5.000 . 6.000 4.399 3.878 4.995 . 0 0 "[ . 1 . 2]" 1 410 1 44 VAL HA 1 45 VAL H 2.280 . 2.700 2.215 2.136 2.280 . 0 0 "[ . 1 . 2]" 1 411 1 44 VAL QG 1 45 VAL H 2.680 . 5.700 2.736 2.130 3.041 . 0 0 "[ . 1 . 2]" 1 412 1 45 VAL H 1 45 VAL HB 2.670 . 3.300 2.704 2.273 3.338 0.038 18 0 "[ . 1 . 2]" 1 413 1 45 VAL H 1 45 VAL QG 2.770 . 5.700 2.417 1.916 2.952 . 0 0 "[ . 1 . 2]" 1 414 1 45 VAL H 1 57 LEU MD1 4.330 . 6.000 4.063 3.775 4.323 . 0 0 "[ . 1 . 2]" 1 415 1 33 LYS QB 1 46 THR H 3.540 . 6.000 3.408 3.069 4.054 . 0 0 "[ . 1 . 2]" 1 416 1 33 LYS H 1 46 THR H 3.440 . 5.000 3.201 3.022 3.344 . 0 0 "[ . 1 . 2]" 1 417 1 45 VAL HA 1 46 THR H 2.540 . 2.700 2.242 2.182 2.500 . 0 0 "[ . 1 . 2]" 1 418 1 46 THR H 1 46 THR HB 2.910 . 3.300 2.303 2.198 2.674 . 0 0 "[ . 1 . 2]" 1 419 1 46 THR H 1 57 LEU MD2 4.350 . 6.000 4.672 3.905 4.960 . 0 0 "[ . 1 . 2]" 1 420 1 47 PHE HA 1 47 PHE QD 2.760 . 5.300 3.695 3.674 3.710 . 0 0 "[ . 1 . 2]" 1 421 1 47 PHE QB 1 47 PHE QD 2.390 . 5.700 2.153 2.144 2.157 . 0 0 "[ . 1 . 2]" 1 422 1 46 THR HA 1 47 PHE HD2 2.820 . 3.300 3.223 3.010 3.347 0.047 13 0 "[ . 1 . 2]" 1 423 1 47 PHE HD2 1 57 LEU MD1 2.640 . 3.700 2.077 1.892 2.293 0.008 12 0 "[ . 1 . 2]" 1 424 1 47 PHE HD2 1 57 LEU MD2 3.100 . 4.300 2.702 2.088 3.346 . 0 0 "[ . 1 . 2]" 1 425 1 47 PHE HD1 1 49 ASP HA 2.450 . 2.700 2.817 2.766 2.844 0.144 10 0 "[ . 1 . 2]" 1 426 1 47 PHE HD1 1 49 ASP QB 3.270 . 4.300 3.797 3.678 3.869 . 0 0 "[ . 1 . 2]" 1 427 1 47 PHE HD1 1 53 SER HA 3.420 . 5.000 3.612 3.120 3.801 . 0 0 "[ . 1 . 2]" 1 428 1 4 THR HA 1 47 PHE HE2 3.320 . 5.000 3.951 3.172 5.015 0.015 18 0 "[ . 1 . 2]" 1 429 1 47 PHE HE2 1 54 VAL HA 3.580 . 5.000 3.824 3.226 4.281 . 0 0 "[ . 1 . 2]" 1 430 1 47 PHE HE2 1 57 LEU MD1 2.790 . 4.300 2.023 1.808 2.372 0.092 8 0 "[ . 1 . 2]" 1 431 1 47 PHE HE2 1 57 LEU MD2 3.700 . 6.000 3.911 3.490 4.393 . 0 0 "[ . 1 . 2]" 1 432 1 47 PHE HE1 1 49 ASP HA 2.430 . 2.700 2.154 2.018 2.391 . 0 0 "[ . 1 . 2]" 1 433 1 47 PHE HE1 1 49 ASP QB 2.770 . 4.300 2.340 2.030 2.538 . 0 0 "[ . 1 . 2]" 1 434 1 47 PHE HE1 1 53 SER HA 2.760 . 3.300 2.430 2.171 2.828 . 0 0 "[ . 1 . 2]" 1 435 1 47 PHE HZ 1 49 ASP HA 3.360 . 5.000 4.551 4.423 4.835 . 0 0 "[ . 1 . 2]" 1 436 1 47 PHE HZ 1 49 ASP QB 3.580 . 6.000 4.064 3.764 4.336 . 0 0 "[ . 1 . 2]" 1 437 1 47 PHE HZ 1 53 SER HA 3.360 . 5.000 2.645 2.381 3.096 . 0 0 "[ . 1 . 2]" 1 438 1 47 PHE HZ 1 54 VAL HA 3.480 . 5.000 4.522 3.995 4.882 . 0 0 "[ . 1 . 2]" 1 439 1 47 PHE HZ 1 57 LEU MD1 3.180 . 4.300 3.430 3.329 3.572 . 0 0 "[ . 1 . 2]" 1 440 1 2 THR HA 1 47 PHE H 4.020 . 5.000 3.864 3.610 4.345 . 0 0 "[ . 1 . 2]" 1 441 1 2 THR HB 1 47 PHE H 3.710 . 5.000 5.144 5.053 5.243 0.243 16 0 "[ . 1 . 2]" 1 442 1 3 GLN QB 1 47 PHE H 3.520 . 6.000 4.302 2.780 5.163 . 0 0 "[ . 1 . 2]" 1 443 1 3 GLN QG 1 47 PHE H 4.790 . 7.000 5.542 4.076 6.085 . 0 0 "[ . 1 . 2]" 1 444 1 31 VAL QG 1 47 PHE H 4.170 . 7.400 4.828 4.445 5.169 . 0 0 "[ . 1 . 2]" 1 445 1 46 THR HA 1 47 PHE H 2.450 . 2.700 2.428 2.350 2.495 . 0 0 "[ . 1 . 2]" 1 446 1 46 THR MG 1 47 PHE H 2.860 . 4.300 2.097 1.831 2.494 0.069 8 0 "[ . 1 . 2]" 1 447 1 46 THR H 1 47 PHE H 4.020 . 5.000 4.495 4.262 4.569 . 0 0 "[ . 1 . 2]" 1 448 1 47 PHE H 1 47 PHE QB 3.660 . 6.000 3.214 3.162 3.243 . 0 0 "[ . 1 . 2]" 1 449 1 47 PHE H 1 47 PHE HD2 2.930 . 3.300 3.287 3.168 3.351 0.051 20 0 "[ . 1 . 2]" 1 450 1 47 PHE H 1 47 PHE HE2 4.080 . 5.000 4.666 4.521 4.761 . 0 0 "[ . 1 . 2]" 1 451 1 47 PHE H 1 48 ASP H 4.450 . 5.000 4.387 4.355 4.405 . 0 0 "[ . 1 . 2]" 1 452 1 30 GLY HA3 1 48 ASP H 3.510 . 5.000 3.350 2.817 3.813 . 0 0 "[ . 1 . 2]" 1 453 1 30 GLY HA2 1 48 ASP H 3.480 . 5.000 4.242 3.661 4.686 . 0 0 "[ . 1 . 2]" 1 454 1 31 VAL HA 1 48 ASP H 3.210 . 3.300 3.398 3.335 3.485 0.185 5 0 "[ . 1 . 2]" 1 455 1 31 VAL QG 1 48 ASP H 3.400 . 7.400 4.545 4.100 4.705 . 0 0 "[ . 1 . 2]" 1 456 1 47 PHE HA 1 48 ASP H 2.440 . 2.700 2.534 2.410 2.573 . 0 0 "[ . 1 . 2]" 1 457 1 47 PHE HD1 1 48 ASP H 3.310 . 5.000 2.643 2.581 2.715 . 0 0 "[ . 1 . 2]" 1 458 1 48 ASP H 1 48 ASP HA 2.830 . 3.300 2.984 2.976 2.997 . 0 0 "[ . 1 . 2]" 1 459 1 48 ASP H 1 48 ASP QB 2.580 . 3.700 2.445 2.139 2.965 . 0 0 "[ . 1 . 2]" 1 460 1 48 ASP H 1 49 ASP H 4.060 . 5.000 4.294 4.217 4.422 . 0 0 "[ . 1 . 2]" 1 461 1 48 ASP H 1 52 ALA MB 3.360 . 6.000 3.607 3.030 4.782 . 0 0 "[ . 1 . 2]" 1 462 1 1 ALA HA 1 49 ASP H 3.960 . 5.000 3.965 2.930 5.004 0.004 18 0 "[ . 1 . 2]" 1 463 1 1 ALA MB 1 49 ASP H 3.270 . 6.000 2.700 1.911 4.027 . 0 0 "[ . 1 . 2]" 1 464 1 2 THR HA 1 49 ASP H 3.240 . 5.000 3.150 2.172 3.569 . 0 0 "[ . 1 . 2]" 1 465 1 3 GLN QB 1 49 ASP H 3.650 . 7.000 4.425 3.730 5.505 . 0 0 "[ . 1 . 2]" 1 466 1 3 GLN QG 1 49 ASP H 3.560 . 7.000 4.805 3.611 6.217 . 0 0 "[ . 1 . 2]" 1 467 1 47 PHE HD1 1 49 ASP H 3.690 . 5.000 3.138 2.957 3.484 . 0 0 "[ . 1 . 2]" 1 468 1 47 PHE HE1 1 49 ASP H 3.870 . 5.000 3.339 3.046 3.778 . 0 0 "[ . 1 . 2]" 1 469 1 48 ASP HA 1 49 ASP H 2.240 . 2.700 2.206 2.182 2.241 . 0 0 "[ . 1 . 2]" 1 470 1 48 ASP QB 1 49 ASP H 3.750 . 6.000 3.581 3.325 3.905 . 0 0 "[ . 1 . 2]" 1 471 1 49 ASP H 1 49 ASP HA 2.870 . 3.300 2.851 2.805 2.919 . 0 0 "[ . 1 . 2]" 1 472 1 49 ASP H 1 49 ASP QB 3.010 . 4.300 2.143 2.068 2.188 . 0 0 "[ . 1 . 2]" 1 473 1 49 ASP H 1 51 LYS H 3.670 . 5.000 4.639 4.477 4.989 . 0 0 "[ . 1 . 2]" 1 474 1 47 PHE HD1 1 50 THR H 4.520 . 5.000 4.442 4.137 4.525 . 0 0 "[ . 1 . 2]" 1 475 1 47 PHE HE1 1 50 THR H 4.670 . 5.000 5.071 5.009 5.122 0.122 20 0 "[ . 1 . 2]" 1 476 1 48 ASP QB 1 50 THR H 4.050 . 6.000 2.820 2.620 3.309 . 0 0 "[ . 1 . 2]" 1 477 1 49 ASP HA 1 50 THR H 3.300 . 5.000 3.332 2.912 3.451 . 0 0 "[ . 1 . 2]" 1 478 1 49 ASP QB 1 50 THR H 4.160 . 6.000 3.297 3.051 3.847 . 0 0 "[ . 1 . 2]" 1 479 1 50 THR H 1 50 THR HA 2.910 . 3.300 2.906 2.845 2.994 . 0 0 "[ . 1 . 2]" 1 480 1 50 THR H 1 50 THR HB 3.400 . 5.000 2.996 2.342 3.598 . 0 0 "[ . 1 . 2]" 1 481 1 50 THR H 1 50 THR MG 2.520 . 3.700 2.276 1.890 3.075 0.010 12 0 "[ . 1 . 2]" 1 482 1 50 THR H 1 51 LYS QB 3.760 . 6.000 4.373 3.976 4.976 . 0 0 "[ . 1 . 2]" 1 483 1 50 THR H 1 51 LYS H 2.540 . 2.700 2.492 1.874 2.739 0.039 16 0 "[ . 1 . 2]" 1 484 1 50 THR H 1 52 ALA H 3.360 . 5.000 3.692 2.990 4.394 . 0 0 "[ . 1 . 2]" 1 485 1 30 GLY HA3 1 51 LYS H 4.480 . 5.000 3.660 3.089 4.353 . 0 0 "[ . 1 . 2]" 1 486 1 47 PHE HD1 1 51 LYS H 4.220 . 5.000 4.619 4.447 4.922 . 0 0 "[ . 1 . 2]" 1 487 1 48 ASP QB 1 51 LYS H 3.740 . 6.000 3.191 2.658 4.051 . 0 0 "[ . 1 . 2]" 1 488 1 49 ASP HA 1 51 LYS H 3.460 . 5.000 3.818 3.194 4.278 . 0 0 "[ . 1 . 2]" 1 489 1 50 THR HB 1 51 LYS H 3.830 . 5.000 3.904 3.356 4.303 . 0 0 "[ . 1 . 2]" 1 490 1 51 LYS H 1 51 LYS HA 2.730 . 3.300 2.996 2.976 3.006 . 0 0 "[ . 1 . 2]" 1 491 1 51 LYS H 1 51 LYS QG 2.930 . 4.300 3.366 2.592 3.873 . 0 0 "[ . 1 . 2]" 1 492 1 51 LYS H 1 52 ALA HA 3.760 . 5.000 4.712 4.567 4.867 . 0 0 "[ . 1 . 2]" 1 493 1 51 LYS H 1 52 ALA H 2.420 . 2.700 1.961 1.872 2.161 0.028 7 0 "[ . 1 . 2]" 1 494 1 28 VAL QG 1 52 ALA H 4.220 . 7.400 5.218 4.627 5.530 . 0 0 "[ . 1 . 2]" 1 495 1 30 GLY HA3 1 52 ALA H 4.220 . 5.000 3.640 3.027 4.374 . 0 0 "[ . 1 . 2]" 1 496 1 47 PHE HD1 1 52 ALA H 3.450 . 5.000 3.972 3.693 4.337 . 0 0 "[ . 1 . 2]" 1 497 1 47 PHE HE1 1 52 ALA H 4.240 . 5.000 4.797 4.624 5.080 0.080 15 0 "[ . 1 . 2]" 1 498 1 48 ASP QB 1 52 ALA H 4.020 . 6.000 4.280 3.794 5.024 . 0 0 "[ . 1 . 2]" 1 499 1 49 ASP HA 1 52 ALA H 3.100 . 3.300 3.125 2.841 3.396 0.096 17 0 "[ . 1 . 2]" 1 500 1 49 ASP QB 1 52 ALA H 4.490 . 6.000 4.928 4.575 5.286 . 0 0 "[ . 1 . 2]" 1 501 1 51 LYS HA 1 52 ALA H 2.990 . 3.300 3.353 3.144 3.546 0.246 17 0 "[ . 1 . 2]" 1 502 1 51 LYS QB 1 52 ALA H 2.890 . 4.300 3.224 2.398 3.603 . 0 0 "[ . 1 . 2]" 1 503 1 52 ALA H 1 52 ALA HA 2.910 . 3.300 2.941 2.861 3.001 . 0 0 "[ . 1 . 2]" 1 504 1 52 ALA H 1 52 ALA MB 2.530 . 3.700 2.621 2.262 2.859 . 0 0 "[ . 1 . 2]" 1 505 1 52 ALA H 1 53 SER H 4.060 . 5.000 4.364 4.300 4.442 . 0 0 "[ . 1 . 2]" 1 506 1 28 VAL QG 1 53 SER H 4.050 . 7.400 3.577 3.083 4.400 . 0 0 "[ . 1 . 2]" 1 507 1 47 PHE QD 1 53 SER H 4.060 . 7.000 4.457 3.964 4.928 . 0 0 "[ . 1 . 2]" 1 508 1 47 PHE QE 1 53 SER H 4.140 . 7.000 4.504 4.173 4.850 . 0 0 "[ . 1 . 2]" 1 509 1 52 ALA HA 1 53 SER H 2.400 . 2.700 2.698 2.567 2.801 0.101 17 0 "[ . 1 . 2]" 1 510 1 52 ALA MB 1 53 SER H 2.460 . 3.700 2.127 1.813 2.492 0.087 17 0 "[ . 1 . 2]" 1 511 1 53 SER H 1 53 SER HA 2.970 . 3.300 2.829 2.805 2.850 . 0 0 "[ . 1 . 2]" 1 512 1 53 SER H 1 53 SER QB 3.160 . 4.300 3.111 2.894 3.453 . 0 0 "[ . 1 . 2]" 1 513 1 53 SER H 1 54 VAL QG 4.080 . 7.400 5.139 4.778 5.387 . 0 0 "[ . 1 . 2]" 1 514 1 53 SER H 1 54 VAL H 4.320 . 5.000 4.360 4.259 4.400 . 0 0 "[ . 1 . 2]" 1 515 1 53 SER H 1 55 GLN QB 4.130 . 6.000 4.588 3.872 5.165 . 0 0 "[ . 1 . 2]" 1 516 1 53 SER H 1 56 LYS QB 2.450 . 3.700 2.121 1.836 2.747 0.064 17 0 "[ . 1 . 2]" 1 517 1 53 SER H 1 56 LYS QE 4.020 . 6.000 5.028 3.583 5.380 . 0 0 "[ . 1 . 2]" 1 518 1 53 SER H 1 56 LYS H 3.330 . 5.000 3.085 2.531 3.479 . 0 0 "[ . 1 . 2]" 1 519 1 53 SER H 1 57 LEU QB 4.080 . 6.000 5.255 5.171 5.328 . 0 0 "[ . 1 . 2]" 1 520 1 53 SER H 1 57 LEU MD1 4.020 . 6.000 4.241 4.078 4.388 . 0 0 "[ . 1 . 2]" 1 521 1 53 SER H 1 57 LEU MD2 3.910 . 6.000 3.600 3.176 4.080 . 0 0 "[ . 1 . 2]" 1 522 1 53 SER H 1 57 LEU HG 2.860 . 3.300 3.326 3.235 3.399 0.099 17 0 "[ . 1 . 2]" 1 523 1 53 SER H 1 57 LEU H 3.730 . 5.000 3.804 3.682 3.948 . 0 0 "[ . 1 . 2]" 1 524 1 47 PHE QE 1 54 VAL H 4.050 . 6.000 3.423 3.014 3.642 . 0 0 "[ . 1 . 2]" 1 525 1 47 PHE HZ 1 54 VAL H 4.150 . 5.000 2.636 2.281 2.916 . 0 0 "[ . 1 . 2]" 1 526 1 53 SER QB 1 54 VAL H 3.110 . 4.300 2.812 1.939 3.450 . 0 0 "[ . 1 . 2]" 1 527 1 54 VAL H 1 54 VAL HB 2.780 . 3.300 2.404 2.043 3.495 0.195 16 0 "[ . 1 . 2]" 1 528 1 54 VAL H 1 54 VAL QG 2.720 . 5.700 2.163 1.720 2.686 0.180 16 0 "[ . 1 . 2]" 1 529 1 54 VAL H 1 55 GLN H 4.020 . 5.000 3.010 2.786 3.268 . 0 0 "[ . 1 . 2]" 1 530 1 54 VAL H 1 57 LEU MD1 4.280 . 6.000 2.995 2.529 3.271 . 0 0 "[ . 1 . 2]" 1 531 1 54 VAL H 1 57 LEU MD2 4.610 . 6.000 5.023 4.892 5.073 . 0 0 "[ . 1 . 2]" 1 532 1 54 VAL H 1 57 LEU HG 4.540 . 5.000 3.963 3.890 4.052 . 0 0 "[ . 1 . 2]" 1 533 1 53 SER QB 1 55 GLN H 4.350 . 6.000 3.208 2.473 4.044 . 0 0 "[ . 1 . 2]" 1 534 1 54 VAL QG 1 55 GLN H 4.050 . 7.400 2.284 1.752 2.987 0.148 18 0 "[ . 1 . 2]" 1 535 1 55 GLN H 1 55 GLN QB 3.170 . 4.300 2.122 1.956 2.188 . 0 0 "[ . 1 . 2]" 1 536 1 55 GLN H 1 56 LYS H 3.700 . 5.000 2.885 2.768 3.056 . 0 0 "[ . 1 . 2]" 1 537 1 55 GLN H 1 57 LEU QB 3.920 . 6.000 4.975 4.798 5.071 . 0 0 "[ . 1 . 2]" 1 538 1 28 VAL QG 1 56 LYS H 4.220 . 7.400 4.295 3.811 5.130 . 0 0 "[ . 1 . 2]" 1 539 1 52 ALA HA 1 56 LYS H 4.270 . 5.000 4.674 4.195 4.995 . 0 0 "[ . 1 . 2]" 1 540 1 54 VAL HA 1 56 LYS H 3.800 . 5.000 4.512 4.121 4.671 . 0 0 "[ . 1 . 2]" 1 541 1 54 VAL QG 1 56 LYS H 4.370 . 7.400 4.279 3.899 4.684 . 0 0 "[ . 1 . 2]" 1 542 1 54 VAL H 1 56 LYS H 4.070 . 5.000 4.583 4.413 4.784 . 0 0 "[ . 1 . 2]" 1 543 1 55 GLN HA 1 56 LYS H 3.530 . 5.000 3.577 3.554 3.590 . 0 0 "[ . 1 . 2]" 1 544 1 55 GLN QB 1 56 LYS H 3.100 . 4.300 2.316 2.233 2.444 . 0 0 "[ . 1 . 2]" 1 545 1 55 GLN QG 1 56 LYS H 3.980 . 6.000 3.619 3.024 4.192 . 0 0 "[ . 1 . 2]" 1 546 1 56 LYS H 1 56 LYS HA 2.820 . 3.300 2.904 2.868 2.940 . 0 0 "[ . 1 . 2]" 1 547 1 56 LYS H 1 56 LYS QB 2.550 . 3.700 2.230 1.978 2.506 . 0 0 "[ . 1 . 2]" 1 548 1 56 LYS H 1 56 LYS QD 2.990 . 4.300 3.443 2.636 3.854 . 0 0 "[ . 1 . 2]" 1 549 1 56 LYS H 1 57 LEU QB 3.930 . 6.000 4.699 4.614 4.826 . 0 0 "[ . 1 . 2]" 1 550 1 56 LYS H 1 57 LEU MD1 4.390 . 6.000 4.855 4.647 4.969 . 0 0 "[ . 1 . 2]" 1 551 1 56 LYS H 1 57 LEU MD2 4.390 . 6.000 4.752 4.529 4.957 . 0 0 "[ . 1 . 2]" 1 552 1 56 LYS H 1 57 LEU H 2.630 . 3.300 2.594 2.443 2.682 . 0 0 "[ . 1 . 2]" 1 553 1 7 LEU MD1 1 57 LEU H 4.250 . 6.000 4.836 4.790 4.880 . 0 0 "[ . 1 . 2]" 1 554 1 28 VAL QG 1 57 LEU H 3.490 . 7.400 3.734 3.347 4.471 . 0 0 "[ . 1 . 2]" 1 555 1 52 ALA MB 1 57 LEU H 3.790 . 6.000 4.790 4.427 4.889 . 0 0 "[ . 1 . 2]" 1 556 1 54 VAL HA 1 57 LEU H 3.050 . 3.300 3.187 2.691 3.313 0.013 15 0 "[ . 1 . 2]" 1 557 1 54 VAL QG 1 57 LEU H 3.500 . 7.400 4.020 3.900 4.178 . 0 0 "[ . 1 . 2]" 1 558 1 56 LYS QB 1 57 LEU H 2.910 . 4.300 2.969 2.831 3.151 . 0 0 "[ . 1 . 2]" 1 559 1 56 LYS QD 1 57 LEU H 3.850 . 6.000 4.718 2.525 5.018 . 0 0 "[ . 1 . 2]" 1 560 1 57 LEU H 1 57 LEU HA 2.820 . 3.300 2.906 2.890 2.930 . 0 0 "[ . 1 . 2]" 1 561 1 57 LEU H 1 57 LEU QB 2.650 . 3.700 2.434 2.372 2.501 . 0 0 "[ . 1 . 2]" 1 562 1 57 LEU H 1 57 LEU MD1 3.050 . 4.300 3.426 3.340 3.509 . 0 0 "[ . 1 . 2]" 1 563 1 57 LEU H 1 57 LEU MD2 3.050 . 4.300 3.198 3.034 3.393 . 0 0 "[ . 1 . 2]" 1 564 1 57 LEU H 1 57 LEU HG 2.420 . 2.700 1.950 1.870 2.130 0.030 9 0 "[ . 1 . 2]" 1 565 1 57 LEU H 1 58 THR H 2.720 . 3.300 2.703 2.582 2.802 . 0 0 "[ . 1 . 2]" 1 566 1 7 LEU MD1 1 58 THR H 3.850 . 6.000 3.350 3.153 3.510 . 0 0 "[ . 1 . 2]" 1 567 1 7 LEU MD2 1 58 THR H 3.850 . 6.000 2.554 2.227 2.998 . 0 0 "[ . 1 . 2]" 1 568 1 54 VAL HA 1 58 THR H 3.680 . 5.000 3.654 3.000 4.038 . 0 0 "[ . 1 . 2]" 1 569 1 54 VAL QG 1 58 THR H 2.420 . 5.100 3.520 3.305 3.946 . 0 0 "[ . 1 . 2]" 1 570 1 56 LYS H 1 58 THR H 3.480 . 5.000 4.701 4.612 4.806 . 0 0 "[ . 1 . 2]" 1 571 1 57 LEU HA 1 58 THR H 3.330 . 5.000 3.579 3.570 3.587 . 0 0 "[ . 1 . 2]" 1 572 1 57 LEU QB 1 58 THR H 2.420 . 3.700 2.043 1.917 2.161 . 0 0 "[ . 1 . 2]" 1 573 1 57 LEU HG 1 58 THR H 3.410 . 5.000 3.917 3.821 4.010 . 0 0 "[ . 1 . 2]" 1 574 1 58 THR H 1 58 THR HA 2.700 . 3.300 2.839 2.826 2.851 . 0 0 "[ . 1 . 2]" 1 575 1 58 THR H 1 58 THR HB 3.370 . 5.000 2.474 2.166 3.518 . 0 0 "[ . 1 . 2]" 1 576 1 58 THR H 1 59 LYS H . . 2.700 2.679 2.626 2.724 0.024 19 0 "[ . 1 . 2]" 1 577 1 58 THR H 1 60 ALA MB 3.980 . 6.000 4.760 4.550 4.891 . 0 0 "[ . 1 . 2]" 1 578 1 58 THR H 1 60 ALA H 3.480 . 5.000 4.110 3.983 4.206 . 0 0 "[ . 1 . 2]" 1 579 1 58 THR H 1 70 VAL QG 3.390 . 7.400 3.751 3.184 4.080 . 0 0 "[ . 1 . 2]" 1 580 1 28 VAL QG 1 59 LYS H 4.370 . 7.400 4.631 4.272 5.161 . 0 0 "[ . 1 . 2]" 1 581 1 55 GLN QG 1 59 LYS H 4.820 . 6.000 4.878 4.523 5.202 . 0 0 "[ . 1 . 2]" 1 582 1 56 LYS HA 1 59 LYS H 3.130 . 3.300 3.385 3.348 3.411 0.111 16 0 "[ . 1 . 2]" 1 583 1 57 LEU H 1 59 LYS H 3.430 . 5.000 3.593 3.446 3.756 . 0 0 "[ . 1 . 2]" 1 584 1 58 THR HB 1 59 LYS H 3.600 . 5.000 3.008 2.636 4.076 . 0 0 "[ . 1 . 2]" 1 585 1 58 THR MG 1 59 LYS H 3.310 . 6.000 3.382 1.882 4.123 0.018 8 0 "[ . 1 . 2]" 1 586 1 59 LYS H 1 59 LYS HA 2.540 . 2.700 2.886 2.874 2.902 0.202 2 0 "[ . 1 . 2]" 1 587 1 59 LYS H 1 59 LYS QB 2.360 . 3.700 2.110 1.950 2.196 . 0 0 "[ . 1 . 2]" 1 588 1 59 LYS H 1 59 LYS QG 3.000 . 4.300 3.818 3.428 3.963 . 0 0 "[ . 1 . 2]" 1 589 1 59 LYS H 1 60 ALA H 2.620 . 2.700 2.473 2.381 2.547 . 0 0 "[ . 1 . 2]" 1 590 1 59 LYS H 1 62 ALA MB 3.550 . 6.000 4.018 3.872 4.358 . 0 0 "[ . 1 . 2]" 1 591 1 28 VAL QG 1 60 ALA H 3.490 . 7.400 3.465 3.200 3.743 . 0 0 "[ . 1 . 2]" 1 592 1 56 LYS QD 1 60 ALA H 3.840 . 6.000 5.145 4.302 5.406 . 0 0 "[ . 1 . 2]" 1 593 1 57 LEU HA 1 60 ALA H 3.110 . 3.300 3.304 3.198 3.354 0.054 7 0 "[ . 1 . 2]" 1 594 1 57 LEU MD2 1 60 ALA H 4.370 . 6.000 4.847 4.743 4.917 . 0 0 "[ . 1 . 2]" 1 595 1 59 LYS QB 1 60 ALA H 2.740 . 4.300 2.765 2.599 2.890 . 0 0 "[ . 1 . 2]" 1 596 1 60 ALA H 1 60 ALA HA 2.580 . 2.700 2.869 2.853 2.883 0.183 6 0 "[ . 1 . 2]" 1 597 1 60 ALA H 1 60 ALA MB 2.280 . 3.700 2.030 1.915 2.146 . 0 0 "[ . 1 . 2]" 1 598 1 60 ALA H 1 61 THR MG 3.420 . 6.000 3.495 3.397 3.746 . 0 0 "[ . 1 . 2]" 1 599 1 60 ALA H 1 63 ASP QB 4.200 . 6.000 4.758 4.562 5.024 . 0 0 "[ . 1 . 2]" 1 600 1 60 ALA H 1 63 ASP H 4.480 . 5.000 4.485 4.339 4.665 . 0 0 "[ . 1 . 2]" 1 601 1 7 LEU MD2 1 61 THR H 4.080 . 6.000 3.715 3.499 3.889 . 0 0 "[ . 1 . 2]" 1 602 1 28 VAL QG 1 61 THR H 3.880 . 7.400 4.802 4.347 5.392 . 0 0 "[ . 1 . 2]" 1 603 1 58 THR H 1 61 THR H 4.100 . 5.000 5.021 4.933 5.081 0.081 5 0 "[ . 1 . 2]" 1 604 1 60 ALA MB 1 61 THR H 2.610 . 3.700 2.409 2.228 2.560 . 0 0 "[ . 1 . 2]" 1 605 1 60 ALA H 1 61 THR H 2.830 . 3.300 2.629 2.545 2.697 . 0 0 "[ . 1 . 2]" 1 606 1 61 THR H 1 61 THR HA 2.720 . 3.300 2.897 2.879 2.910 . 0 0 "[ . 1 . 2]" 1 607 1 61 THR H 1 61 THR HB 3.390 . 5.000 2.553 2.390 2.839 . 0 0 "[ . 1 . 2]" 1 608 1 61 THR H 1 61 THR MG 2.430 . 3.700 1.845 1.770 2.039 0.130 14 0 "[ . 1 . 2]" 1 609 1 61 THR H 1 62 ALA HA 4.220 . 5.000 5.091 5.071 5.125 0.125 9 0 "[ . 1 . 2]" 1 610 1 61 THR H 1 62 ALA MB 3.500 . 6.000 3.912 3.813 3.996 . 0 0 "[ . 1 . 2]" 1 611 1 61 THR H 1 62 ALA H 2.550 . 2.700 2.368 2.332 2.402 . 0 0 "[ . 1 . 2]" 1 612 1 61 THR H 1 63 ASP H 3.870 . 5.000 3.887 3.772 4.053 . 0 0 "[ . 1 . 2]" 1 613 1 25 LEU MD1 1 62 ALA H 4.490 . 6.000 4.939 4.753 5.009 . 0 0 "[ . 1 . 2]" 1 614 1 59 LYS HA 1 62 ALA H 3.050 . 3.300 3.366 3.328 3.414 0.114 14 0 "[ . 1 . 2]" 1 615 1 59 LYS QB 1 62 ALA H 4.010 . 6.000 4.839 4.761 4.923 . 0 0 "[ . 1 . 2]" 1 616 1 60 ALA H 1 62 ALA H 3.760 . 5.000 3.659 3.533 3.905 . 0 0 "[ . 1 . 2]" 1 617 1 61 THR HA 1 62 ALA H 3.280 . 3.300 3.460 3.439 3.485 0.185 15 0 "[ . 1 . 2]" 1 618 1 61 THR HB 1 62 ALA H 3.520 . 5.000 3.860 3.748 4.031 . 0 0 "[ . 1 . 2]" 1 619 1 61 THR MG 1 62 ALA H 3.250 . 4.300 1.903 1.823 2.008 0.077 14 0 "[ . 1 . 2]" 1 620 1 62 ALA H 1 62 ALA HA 2.700 . 3.300 2.871 2.859 2.886 . 0 0 "[ . 1 . 2]" 1 621 1 62 ALA H 1 62 ALA MB 2.280 . 3.700 2.073 1.915 2.162 . 0 0 "[ . 1 . 2]" 1 622 1 62 ALA H 1 63 ASP QB 4.070 . 6.000 4.274 4.160 4.497 . 0 0 "[ . 1 . 2]" 1 623 1 62 ALA H 1 63 ASP H 2.800 . 3.300 2.552 2.486 2.611 . 0 0 "[ . 1 . 2]" 1 624 1 62 ALA H 1 64 ALA MB 3.480 . 6.000 4.286 4.119 4.466 . 0 0 "[ . 1 . 2]" 1 625 1 62 ALA H 1 64 ALA H 3.960 . 5.000 3.711 3.622 3.795 . 0 0 "[ . 1 . 2]" 1 626 1 62 ALA H 1 66 TYR QB 4.480 . 6.000 5.089 5.006 5.154 . 0 0 "[ . 1 . 2]" 1 627 1 62 ALA H 1 68 SER H 3.940 . 5.000 4.271 3.795 4.657 . 0 0 "[ . 1 . 2]" 1 628 1 59 LYS QB 1 63 ASP H 4.230 . 6.000 5.146 4.889 5.354 . 0 0 "[ . 1 . 2]" 1 629 1 60 ALA HA 1 63 ASP H 2.930 . 3.300 3.372 3.316 3.419 0.119 13 0 "[ . 1 . 2]" 1 630 1 59 LYS QG 1 63 ASP H 3.390 . 6.000 4.326 3.942 5.026 . 0 0 "[ . 1 . 2]" 1 631 1 61 THR HA 1 63 ASP H 3.930 . 5.000 4.027 3.906 4.144 . 0 0 "[ . 1 . 2]" 1 632 1 62 ALA HA 1 63 ASP H 3.310 . 5.000 3.523 3.485 3.546 . 0 0 "[ . 1 . 2]" 1 633 1 62 ALA MB 1 63 ASP H 2.510 . 3.700 2.660 2.558 2.763 . 0 0 "[ . 1 . 2]" 1 634 1 63 ASP H 1 63 ASP HA 2.690 . 3.300 2.956 2.938 2.963 . 0 0 "[ . 1 . 2]" 1 635 1 63 ASP H 1 63 ASP QB 2.400 . 3.700 2.138 1.993 2.267 . 0 0 "[ . 1 . 2]" 1 636 1 63 ASP H 1 64 ALA HA 3.890 . 5.000 4.912 4.883 4.978 . 0 0 "[ . 1 . 2]" 1 637 1 63 ASP H 1 64 ALA MB 3.360 . 6.000 3.742 3.706 3.820 . 0 0 "[ . 1 . 2]" 1 638 1 63 ASP H 1 64 ALA H 2.700 . 3.300 2.291 2.263 2.337 . 0 0 "[ . 1 . 2]" 1 639 1 24 ALA MB 1 64 ALA H 3.450 . 6.000 3.482 3.128 4.004 . 0 0 "[ . 1 . 2]" 1 640 1 60 ALA HA 1 64 ALA H 3.630 . 5.000 4.527 4.389 4.630 . 0 0 "[ . 1 . 2]" 1 641 1 60 ALA MB 1 64 ALA H 3.330 . 6.000 4.956 4.881 5.015 . 0 0 "[ . 1 . 2]" 1 642 1 61 THR HA 1 64 ALA H 3.170 . 3.300 3.060 2.971 3.157 . 0 0 "[ . 1 . 2]" 1 643 1 61 THR MG 1 64 ALA H 4.160 . 6.000 4.521 4.392 4.666 . 0 0 "[ . 1 . 2]" 1 644 1 62 ALA HA 1 64 ALA H 3.570 . 5.000 3.957 3.905 4.058 . 0 0 "[ . 1 . 2]" 1 645 1 62 ALA MB 1 64 ALA H 3.730 . 6.000 4.216 4.130 4.300 . 0 0 "[ . 1 . 2]" 1 646 1 63 ASP HA 1 64 ALA H 3.260 . 5.000 3.400 3.375 3.428 . 0 0 "[ . 1 . 2]" 1 647 1 63 ASP QB 1 64 ALA H 2.950 . 4.300 3.163 3.037 3.657 . 0 0 "[ . 1 . 2]" 1 648 1 64 ALA H 1 64 ALA HA 2.690 . 3.300 2.925 2.901 2.942 . 0 0 "[ . 1 . 2]" 1 649 1 64 ALA H 1 64 ALA MB 2.320 . 3.700 2.037 1.928 2.184 . 0 0 "[ . 1 . 2]" 1 650 1 64 ALA H 1 65 GLY HA3 3.610 . 5.000 5.070 5.024 5.114 0.114 3 0 "[ . 1 . 2]" 1 651 1 64 ALA H 1 65 GLY HA2 3.620 . 5.000 4.796 4.767 4.832 . 0 0 "[ . 1 . 2]" 1 652 1 64 ALA H 1 65 GLY H 2.580 . 2.700 2.329 2.273 2.384 . 0 0 "[ . 1 . 2]" 1 653 1 64 ALA H 1 66 TYR QB 4.700 . 6.000 5.074 5.052 5.107 . 0 0 "[ . 1 . 2]" 1 654 1 64 ALA H 1 66 TYR HD2 4.100 . 5.000 4.713 4.495 5.041 0.041 17 0 "[ . 1 . 2]" 1 655 1 64 ALA H 1 66 TYR H 3.350 . 5.000 3.584 3.410 3.723 . 0 0 "[ . 1 . 2]" 1 656 1 61 THR HA 1 65 GLY H 4.380 . 5.000 4.409 4.284 4.513 . 0 0 "[ . 1 . 2]" 1 657 1 62 ALA MB 1 65 GLY H 4.110 . 6.000 4.797 4.672 4.865 . 0 0 "[ . 1 . 2]" 1 658 1 63 ASP HA 1 65 GLY H 3.880 . 5.000 3.913 3.791 4.101 . 0 0 "[ . 1 . 2]" 1 659 1 63 ASP H 1 65 GLY H 4.120 . 5.000 4.032 3.961 4.119 . 0 0 "[ . 1 . 2]" 1 660 1 64 ALA HA 1 65 GLY H 3.400 . 5.000 3.494 3.462 3.523 . 0 0 "[ . 1 . 2]" 1 661 1 64 ALA MB 1 65 GLY H 3.280 . 4.300 2.762 2.656 2.860 . 0 0 "[ . 1 . 2]" 1 662 1 65 GLY H 1 65 GLY HA3 2.900 . 3.300 2.977 2.964 2.986 . 0 0 "[ . 1 . 2]" 1 663 1 65 GLY H 1 65 GLY HA2 2.710 . 3.300 2.613 2.581 2.650 . 0 0 "[ . 1 . 2]" 1 664 1 65 GLY H 1 66 TYR QB 4.610 . 6.000 4.105 3.932 4.290 . 0 0 "[ . 1 . 2]" 1 665 1 65 GLY H 1 66 TYR HD2 4.090 . 5.000 3.889 3.431 4.162 . 0 0 "[ . 1 . 2]" 1 666 1 65 GLY H 1 66 TYR H . . 2.700 1.857 1.840 1.874 0.060 7 0 "[ . 1 . 2]" 1 667 1 9 VAL HB 1 66 TYR QD 3.650 . 5.000 4.423 4.172 4.937 . 0 0 "[ . 1 . 2]" 1 668 1 9 VAL QG 1 66 TYR QD 2.490 . 6.100 2.460 2.292 2.619 . 0 0 "[ . 1 . 2]" 1 669 1 66 TYR QB 1 66 TYR QD 2.380 . 5.700 2.109 2.103 2.121 . 0 0 "[ . 1 . 2]" 1 670 1 11 GLY QA 1 66 TYR HD1 3.510 . 6.000 1.935 1.790 2.096 0.110 18 0 "[ . 1 . 2]" 1 671 1 66 TYR HA 1 66 TYR HD1 2.930 . 3.300 2.461 2.345 2.641 . 0 0 "[ . 1 . 2]" 1 672 1 20 THR HB 1 66 TYR HD2 3.480 . 5.000 4.355 3.949 4.746 . 0 0 "[ . 1 . 2]" 1 673 1 20 THR MG 1 66 TYR HD2 2.610 . 3.700 2.747 1.891 2.934 0.009 17 0 "[ . 1 . 2]" 1 674 1 21 VAL HA 1 66 TYR HD2 3.480 . 5.000 3.926 3.648 4.384 . 0 0 "[ . 1 . 2]" 1 675 1 21 VAL QG 1 66 TYR HD2 2.500 . 5.100 2.001 1.753 2.471 0.147 9 0 "[ . 1 . 2]" 1 676 1 24 ALA MB 1 66 TYR HD2 3.480 . 6.000 4.789 4.556 5.028 . 0 0 "[ . 1 . 2]" 1 677 1 61 THR MG 1 66 TYR HD2 3.530 . 6.000 4.753 4.491 5.046 . 0 0 "[ . 1 . 2]" 1 678 1 64 ALA MB 1 66 TYR HD2 2.410 . 4.700 2.663 2.437 3.041 . 0 0 "[ . 1 . 2]" 1 679 1 65 GLY HA3 1 66 TYR HD2 3.730 . 5.000 4.493 3.978 4.792 . 0 0 "[ . 1 . 2]" 1 680 1 66 TYR QB 1 66 TYR QE 3.280 . 4.300 3.911 3.905 3.918 . 0 0 "[ . 1 . 2]" 1 681 1 9 VAL QG 1 66 TYR HE2 3.050 . 5.700 3.839 3.763 3.929 . 0 0 "[ . 1 . 2]" 1 682 1 20 THR HA 1 66 TYR HE2 3.650 . 5.000 4.671 4.397 4.993 . 0 0 "[ . 1 . 2]" 1 683 1 20 THR HB 1 66 TYR HE2 2.660 . 2.700 2.128 1.875 2.557 0.025 10 0 "[ . 1 . 2]" 1 684 1 20 THR MG 1 66 TYR HE2 2.100 . 3.700 1.821 1.756 1.876 0.144 13 0 "[ . 1 . 2]" 1 685 1 21 VAL QG 1 66 TYR HE2 2.790 . 5.700 2.713 2.100 3.436 . 0 0 "[ . 1 . 2]" 1 686 1 64 ALA MB 1 66 TYR HE2 2.850 . 5.300 3.134 2.688 3.930 . 0 0 "[ . 1 . 2]" 1 687 1 9 VAL QG 1 66 TYR H 4.310 . 7.400 4.404 4.255 4.556 . 0 0 "[ . 1 . 2]" 1 688 1 21 VAL QG 1 66 TYR H 4.450 . 7.400 4.458 4.011 4.995 . 0 0 "[ . 1 . 2]" 1 689 1 62 ALA HA 1 66 TYR H 2.710 . 3.300 2.906 2.677 3.101 . 0 0 "[ . 1 . 2]" 1 690 1 62 ALA MB 1 66 TYR H 3.720 . 6.000 4.454 4.265 4.603 . 0 0 "[ . 1 . 2]" 1 691 1 63 ASP HA 1 66 TYR H 4.250 . 5.000 5.040 4.866 5.091 0.091 20 0 "[ . 1 . 2]" 1 692 1 63 ASP H 1 66 TYR H 4.260 . 5.000 4.747 4.625 4.836 . 0 0 "[ . 1 . 2]" 1 693 1 64 ALA MB 1 66 TYR H 3.280 . 6.000 3.581 3.410 3.801 . 0 0 "[ . 1 . 2]" 1 694 1 65 GLY HA3 1 66 TYR H 3.220 . 5.000 3.507 3.461 3.551 . 0 0 "[ . 1 . 2]" 1 695 1 65 GLY HA2 1 66 TYR H 3.020 . 3.300 3.106 2.985 3.214 . 0 0 "[ . 1 . 2]" 1 696 1 66 TYR H 1 66 TYR QB 3.240 . 4.300 2.740 2.638 2.816 . 0 0 "[ . 1 . 2]" 1 697 1 66 TYR H 1 66 TYR HD2 2.880 . 3.300 3.384 3.349 3.419 0.119 11 0 "[ . 1 . 2]" 1 698 1 66 TYR H 1 68 SER QB 3.600 . 6.000 4.962 4.809 5.292 . 0 0 "[ . 1 . 2]" 1 699 1 9 VAL HA 1 68 SER HA 2.490 . 2.700 2.768 2.719 2.843 0.143 9 0 "[ . 1 . 2]" 1 700 1 9 VAL HA 1 68 SER H 4.080 . 5.000 4.600 4.415 4.743 . 0 0 "[ . 1 . 2]" 1 701 1 9 VAL QG 1 68 SER H 4.280 . 7.400 4.989 4.494 5.252 . 0 0 "[ . 1 . 2]" 1 702 1 61 THR MG 1 68 SER H 3.660 . 6.000 3.215 2.685 3.702 . 0 0 "[ . 1 . 2]" 1 703 1 62 ALA HA 1 68 SER H 3.780 . 5.000 2.922 2.648 3.178 . 0 0 "[ . 1 . 2]" 1 704 1 62 ALA MB 1 68 SER H 3.460 . 6.000 2.670 2.253 3.059 . 0 0 "[ . 1 . 2]" 1 705 1 66 TYR QB 1 68 SER H 3.240 . 6.000 4.216 4.058 4.341 . 0 0 "[ . 1 . 2]" 1 706 1 66 TYR H 1 68 SER H 4.850 . 5.000 5.002 4.778 5.056 0.056 18 0 "[ . 1 . 2]" 1 707 1 68 SER H 1 68 SER QB 3.610 . 6.000 2.250 2.084 2.617 . 0 0 "[ . 1 . 2]" 1 708 1 68 SER H 1 69 SER H 4.230 . 5.000 4.422 4.376 4.484 . 0 0 "[ . 1 . 2]" 1 709 1 7 LEU HA 1 69 SER H 3.540 . 5.000 4.281 4.180 4.368 . 0 0 "[ . 1 . 2]" 1 710 1 7 LEU QB 1 69 SER H 3.770 . 7.000 4.171 3.918 4.361 . 0 0 "[ . 1 . 2]" 1 711 1 7 LEU MD1 1 69 SER H 3.780 . 6.000 4.741 4.613 4.856 . 0 0 "[ . 1 . 2]" 1 712 1 7 LEU HG 1 69 SER H 3.450 . 5.000 3.847 3.555 4.184 . 0 0 "[ . 1 . 2]" 1 713 1 8 ALA MB 1 69 SER H 2.960 . 5.300 2.505 2.239 2.686 . 0 0 "[ . 1 . 2]" 1 714 1 9 VAL QG 1 69 SER H 4.290 . 7.400 4.912 4.442 5.005 . 0 0 "[ . 1 . 2]" 1 715 1 68 SER HA 1 69 SER H 2.430 . 2.700 2.665 2.558 2.719 0.019 19 0 "[ . 1 . 2]" 1 716 1 68 SER QB 1 69 SER H 2.870 . 4.300 2.546 1.856 3.064 0.044 16 0 "[ . 1 . 2]" 1 717 1 69 SER H 1 69 SER HA 2.900 . 3.300 2.956 2.934 2.980 . 0 0 "[ . 1 . 2]" 1 718 1 69 SER H 1 69 SER QB 2.480 . 3.700 2.722 2.484 3.265 . 0 0 "[ . 1 . 2]" 1 719 1 69 SER H 1 70 VAL HA 3.720 . 5.000 4.463 4.418 4.525 . 0 0 "[ . 1 . 2]" 1 720 1 69 SER H 1 70 VAL HB 4.450 . 5.000 5.176 5.119 5.226 0.226 11 0 "[ . 1 . 2]" 1 721 1 69 SER H 1 70 VAL QG 4.060 . 7.400 5.070 5.043 5.099 . 0 0 "[ . 1 . 2]" 1 722 1 69 SER H 1 70 VAL H 3.900 . 5.000 4.260 4.194 4.308 . 0 0 "[ . 1 . 2]" 1 723 1 7 LEU MD1 1 70 VAL H 3.440 . 6.000 4.238 4.127 4.348 . 0 0 "[ . 1 . 2]" 1 724 1 8 ALA H 1 70 VAL H 4.320 . 5.000 4.347 4.217 4.492 . 0 0 "[ . 1 . 2]" 1 725 1 58 THR MG 1 70 VAL H 3.300 . 6.000 3.865 3.082 4.796 . 0 0 "[ . 1 . 2]" 1 726 1 69 SER HA 1 70 VAL H 2.350 . 2.700 2.817 2.774 2.859 0.159 15 0 "[ . 1 . 2]" 1 727 1 69 SER QB 1 70 VAL H 2.530 . 3.700 2.180 1.839 2.777 0.061 20 0 "[ . 1 . 2]" 1 728 1 70 VAL H 1 70 VAL HA 2.910 . 3.300 2.970 2.960 2.977 . 0 0 "[ . 1 . 2]" 1 729 1 70 VAL H 1 70 VAL HB 2.390 . 2.700 2.846 2.816 2.899 0.199 10 0 "[ . 1 . 2]" 1 730 1 70 VAL H 1 70 VAL QG 2.370 . 5.100 2.243 2.136 2.321 . 0 0 "[ . 1 . 2]" 1 731 1 70 VAL H 1 71 LYS HA 4.580 . 5.000 4.786 4.734 4.818 . 0 0 "[ . 1 . 2]" 1 732 1 5 VAL HA 1 71 LYS H 3.930 . 4.930 5.141 5.079 5.216 0.286 2 0 "[ . 1 . 2]" 1 733 1 70 VAL H 1 71 LYS H 3.200 . 5.000 4.471 4.430 4.494 . 0 0 "[ . 1 . 2]" 1 734 1 7 LEU HA 1 71 LYS H 2.780 . 3.300 3.309 3.153 3.347 0.047 4 0 "[ . 1 . 2]" 1 735 1 7 LEU MD1 1 71 LYS H 3.180 . 4.300 2.863 2.763 2.952 . 0 0 "[ . 1 . 2]" 1 736 1 7 LEU HG 1 71 LYS H 4.120 . 5.000 5.160 5.093 5.197 0.197 10 0 "[ . 1 . 2]" 1 737 1 7 LEU H 1 71 LYS H 4.400 . 5.000 4.904 4.662 4.998 . 0 0 "[ . 1 . 2]" 1 738 1 70 VAL HA 1 71 LYS H 2.170 . 2.700 2.361 2.305 2.407 . 0 0 "[ . 1 . 2]" 1 739 1 70 VAL HB 1 71 LYS H 3.470 . 5.000 4.138 4.021 4.233 . 0 0 "[ . 1 . 2]" 1 740 1 70 VAL QG 1 71 LYS H 2.470 . 5.100 1.979 1.828 2.115 0.072 10 0 "[ . 1 . 2]" 1 741 1 71 LYS H 1 71 LYS HA 2.800 . 3.300 3.004 3.000 3.008 . 0 0 "[ . 1 . 2]" 1 742 1 71 LYS H 1 71 LYS QB 2.740 . 4.300 2.847 2.489 3.130 . 0 0 "[ . 1 . 2]" 1 743 1 71 LYS H 1 72 GLN H 3.340 . 5.000 2.344 2.205 2.883 . 0 0 "[ . 1 . 2]" 1 744 1 5 VAL HA 1 72 GLN H 3.750 . 5.000 5.061 4.879 5.175 0.175 12 0 "[ . 1 . 2]" 1 745 1 70 VAL HA 1 72 GLN H 3.550 . 5.000 4.005 3.908 4.414 . 0 0 "[ . 1 . 2]" 1 746 1 70 VAL QG 1 72 GLN H 3.170 . 7.500 2.085 1.964 2.355 . 0 0 "[ . 1 . 2]" 1 747 1 70 VAL H 1 72 GLN H 4.110 . 5.000 5.108 5.046 5.207 0.207 12 0 "[ . 1 . 2]" 1 748 1 71 LYS HA 1 72 GLN H 2.160 . 2.700 2.915 2.652 3.024 0.324 1 0 "[ . 1 . 2]" 1 749 1 71 LYS QB 1 72 GLN H 3.290 . 6.000 3.729 3.592 4.025 . 0 0 "[ . 1 . 2]" 1 750 1 71 LYS QD 1 72 GLN H 3.290 . 6.000 5.490 5.419 5.582 . 0 0 "[ . 1 . 2]" 1 751 1 71 LYS QG 1 72 GLN H 2.990 . 4.300 3.941 3.624 4.104 . 0 0 "[ . 1 . 2]" 1 752 1 72 GLN H 1 72 GLN QB 3.280 . 4.300 2.644 2.079 3.260 . 0 0 "[ . 1 . 2]" 1 753 1 72 GLN H 1 72 GLN QG 2.980 . 4.300 2.999 2.086 3.999 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 56 _Distance_constraint_stats_list.Viol_count 248 _Distance_constraint_stats_list.Viol_total 281.663 _Distance_constraint_stats_list.Viol_max 0.193 _Distance_constraint_stats_list.Viol_rms 0.0309 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0126 _Distance_constraint_stats_list.Viol_average_violations_only 0.0568 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 1 ALA 2.389 0.193 3 0 "[ . 1 . 2]" 1 3 GLN 2.136 0.169 16 0 "[ . 1 . 2]" 1 5 VAL 0.257 0.072 12 0 "[ . 1 . 2]" 1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 LEU 0.013 0.013 13 0 "[ . 1 . 2]" 1 8 ALA 0.447 0.063 12 0 "[ . 1 . 2]" 1 19 ILE 1.473 0.081 11 0 "[ . 1 . 2]" 1 20 THR 0.222 0.073 9 0 "[ . 1 . 2]" 1 21 VAL 0.257 0.088 20 0 "[ . 1 . 2]" 1 22 LYS 0.959 0.145 8 0 "[ . 1 . 2]" 1 23 LYS 3.018 0.146 17 0 "[ . 1 . 2]" 1 24 ALA 1.009 0.146 17 0 "[ . 1 . 2]" 1 25 LEU 0.257 0.088 20 0 "[ . 1 . 2]" 1 26 SER 0.959 0.145 8 0 "[ . 1 . 2]" 1 27 LYS 1.545 0.146 17 0 "[ . 1 . 2]" 1 28 VAL 0.787 0.146 17 0 "[ . 1 . 2]" 1 33 LYS 1.108 0.130 12 0 "[ . 1 . 2]" 1 35 ASP 0.246 0.070 11 0 "[ . 1 . 2]" 1 37 GLY 0.209 0.056 19 0 "[ . 1 . 2]" 1 42 GLU 0.209 0.056 19 0 "[ . 1 . 2]" 1 43 ALA 0.013 0.013 13 0 "[ . 1 . 2]" 1 44 VAL 0.246 0.070 11 0 "[ . 1 . 2]" 1 45 VAL 0.257 0.072 12 0 "[ . 1 . 2]" 1 46 THR 1.108 0.130 12 0 "[ . 1 . 2]" 1 47 PHE 2.136 0.169 16 0 "[ . 1 . 2]" 1 49 ASP 2.389 0.193 3 0 "[ . 1 . 2]" 1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 ALA 0.203 0.031 17 0 "[ . 1 . 2]" 1 61 THR 1.830 0.135 5 0 "[ . 1 . 2]" 1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 ALA 0.203 0.031 17 0 "[ . 1 . 2]" 1 65 GLY 1.830 0.135 5 0 "[ . 1 . 2]" 1 69 SER 0.447 0.063 12 0 "[ . 1 . 2]" 1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 19 ILE O 1 23 LYS H 1.900 . 2.300 2.360 2.330 2.381 0.081 11 0 "[ . 1 . 2]" 2 2 1 20 THR O 1 24 ALA H 1.900 . 2.300 2.268 2.120 2.373 0.073 9 0 "[ . 1 . 2]" 2 3 1 21 VAL O 1 25 LEU H 1.900 . 2.300 2.215 2.098 2.388 0.088 20 0 "[ . 1 . 2]" 2 4 1 22 LYS O 1 26 SER H 1.900 . 2.300 2.346 2.272 2.445 0.145 8 0 "[ . 1 . 2]" 2 5 1 23 LYS O 1 27 LYS H 1.900 . 2.300 2.372 2.192 2.446 0.146 17 0 "[ . 1 . 2]" 2 6 1 24 ALA O 1 28 VAL H 1.900 . 2.300 2.337 2.249 2.446 0.146 17 0 "[ . 1 . 2]" 2 7 1 33 LYS H 1 46 THR O 1.900 . 2.300 2.352 2.313 2.430 0.130 12 0 "[ . 1 . 2]" 2 8 1 35 ASP H 1 44 VAL O 1.900 . 2.300 2.138 2.064 2.331 0.031 17 0 "[ . 1 . 2]" 2 9 1 37 GLY H 1 42 GLU O 1.900 . 2.300 2.195 2.059 2.331 0.031 17 0 "[ . 1 . 2]" 2 10 1 3 GLN H 1 47 PHE O 1.900 . 2.300 2.400 2.323 2.469 0.169 16 0 "[ . 1 . 2]" 2 11 1 37 GLY O 1 42 GLU H 1.900 . 2.300 2.251 2.124 2.356 0.056 19 0 "[ . 1 . 2]" 2 12 1 7 LEU O 1 43 ALA H 1.900 . 2.300 2.155 2.077 2.313 0.013 13 0 "[ . 1 . 2]" 2 13 1 35 ASP O 1 44 VAL H 1.900 . 2.300 2.236 2.087 2.370 0.070 11 0 "[ . 1 . 2]" 2 14 1 5 VAL O 1 45 VAL H 1.900 . 2.300 2.063 2.016 2.158 . 0 0 "[ . 1 . 2]" 2 15 1 33 LYS O 1 46 THR H 1.900 . 2.300 2.073 2.014 2.189 . 0 0 "[ . 1 . 2]" 2 16 1 3 GLN O 1 47 PHE H 1.900 . 2.300 2.176 2.068 2.382 0.082 18 0 "[ . 1 . 2]" 2 17 1 5 VAL H 1 45 VAL O 1.900 . 2.300 2.204 2.032 2.372 0.072 12 0 "[ . 1 . 2]" 2 18 1 56 LYS O 1 60 ALA H 1.900 . 2.300 2.090 2.046 2.248 . 0 0 "[ . 1 . 2]" 2 19 1 57 LEU O 1 61 THR H 1.900 . 2.300 2.152 2.081 2.246 . 0 0 "[ . 1 . 2]" 2 20 1 58 THR O 1 62 ALA H 1.900 . 2.300 2.101 2.076 2.191 . 0 0 "[ . 1 . 2]" 2 21 1 59 LYS O 1 63 ASP H 1.900 . 2.300 2.076 2.053 2.100 . 0 0 "[ . 1 . 2]" 2 22 1 60 ALA O 1 64 ALA H 1.900 . 2.300 2.305 2.270 2.331 0.031 17 0 "[ . 1 . 2]" 2 23 1 61 THR O 1 65 GLY H 1.900 . 2.300 2.391 2.359 2.435 0.135 5 0 "[ . 1 . 2]" 2 24 1 8 ALA O 1 69 SER H 1.900 . 2.300 2.298 2.164 2.363 0.063 12 0 "[ . 1 . 2]" 2 25 1 6 THR O 1 71 LYS H 1.900 . 2.300 2.110 2.064 2.244 . 0 0 "[ . 1 . 2]" 2 26 1 7 LEU H 1 43 ALA O 1.900 . 2.300 1.997 1.950 2.042 . 0 0 "[ . 1 . 2]" 2 27 1 8 ALA H 1 69 SER O 1.900 . 2.300 2.089 2.045 2.144 . 0 0 "[ . 1 . 2]" 2 28 1 1 ALA O 1 49 ASP H 1.900 . 2.300 2.419 2.339 2.493 0.193 3 0 "[ . 1 . 2]" 2 29 1 19 ILE O 1 23 LYS N 2.850 2.400 3.300 3.305 3.246 3.339 0.039 1 0 "[ . 1 . 2]" 2 30 1 20 THR O 1 24 ALA N 2.850 2.400 3.300 2.915 2.508 3.166 . 0 0 "[ . 1 . 2]" 2 31 1 21 VAL O 1 25 LEU N 2.850 2.400 3.300 3.141 3.039 3.303 0.003 20 0 "[ . 1 . 2]" 2 32 1 22 LYS O 1 26 SER N 2.850 2.400 3.300 3.165 3.001 3.246 . 0 0 "[ . 1 . 2]" 2 33 1 23 LYS O 1 27 LYS N 2.850 2.400 3.300 3.083 2.844 3.272 . 0 0 "[ . 1 . 2]" 2 34 1 24 ALA O 1 28 VAL N 2.850 2.400 3.300 2.860 2.676 3.179 . 0 0 "[ . 1 . 2]" 2 35 1 33 LYS N 1 46 THR O 2.850 2.400 3.300 3.248 3.155 3.334 0.034 19 0 "[ . 1 . 2]" 2 36 1 35 ASP N 1 44 VAL O 2.850 2.400 3.300 2.685 2.469 2.913 . 0 0 "[ . 1 . 2]" 2 37 1 37 GLY N 1 42 GLU O 2.850 2.400 3.300 2.910 2.598 3.034 . 0 0 "[ . 1 . 2]" 2 38 1 3 GLN N 1 47 PHE O 2.850 2.400 3.300 3.025 2.668 3.181 . 0 0 "[ . 1 . 2]" 2 39 1 37 GLY O 1 42 GLU N 2.850 2.400 3.300 3.179 3.033 3.295 . 0 0 "[ . 1 . 2]" 2 40 1 7 LEU O 1 43 ALA N 2.850 2.400 3.300 2.921 2.796 3.078 . 0 0 "[ . 1 . 2]" 2 41 1 35 ASP O 1 44 VAL N 2.850 2.400 3.300 3.022 2.778 3.240 . 0 0 "[ . 1 . 2]" 2 42 1 5 VAL O 1 45 VAL N 2.850 2.400 3.300 2.963 2.864 3.079 . 0 0 "[ . 1 . 2]" 2 43 1 33 LYS O 1 46 THR N 2.850 2.400 3.300 2.933 2.554 3.078 . 0 0 "[ . 1 . 2]" 2 44 1 3 GLN O 1 47 PHE N 2.850 2.400 3.300 2.996 2.846 3.244 . 0 0 "[ . 1 . 2]" 2 45 1 5 VAL N 1 45 VAL O 2.850 2.400 3.300 3.092 2.922 3.292 . 0 0 "[ . 1 . 2]" 2 46 1 56 LYS O 1 60 ALA N 2.850 2.400 3.300 2.827 2.731 2.926 . 0 0 "[ . 1 . 2]" 2 47 1 57 LEU O 1 61 THR N 2.850 2.400 3.300 3.102 3.044 3.190 . 0 0 "[ . 1 . 2]" 2 48 1 58 THR O 1 62 ALA N 2.850 2.400 3.300 2.887 2.789 2.963 . 0 0 "[ . 1 . 2]" 2 49 1 59 LYS O 1 63 ASP N 2.850 2.400 3.300 2.824 2.734 2.930 . 0 0 "[ . 1 . 2]" 2 50 1 60 ALA O 1 64 ALA N 2.850 2.400 3.300 2.876 2.779 2.990 . 0 0 "[ . 1 . 2]" 2 51 1 61 THR O 1 65 GLY N 2.850 2.400 3.300 3.193 3.107 3.249 . 0 0 "[ . 1 . 2]" 2 52 1 8 ALA O 1 69 SER N 2.850 2.400 3.300 3.026 2.969 3.086 . 0 0 "[ . 1 . 2]" 2 53 1 6 THR O 1 71 LYS N 2.850 2.400 3.300 3.036 2.963 3.172 . 0 0 "[ . 1 . 2]" 2 54 1 7 LEU N 1 43 ALA O 2.850 2.400 3.300 2.619 2.567 2.682 . 0 0 "[ . 1 . 2]" 2 55 1 8 ALA N 1 69 SER O 2.850 2.400 3.300 3.041 2.984 3.097 . 0 0 "[ . 1 . 2]" 2 56 1 1 ALA O 1 49 ASP N 2.850 2.400 3.300 3.147 2.850 3.313 0.013 18 0 "[ . 1 . 2]" 2 stop_ save_
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