NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
283096 | 2kru | 16649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kru 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 984 _Distance_constraint_stats_list.Viol_count 390 _Distance_constraint_stats_list.Viol_total 462.251 _Distance_constraint_stats_list.Viol_max 0.224 _Distance_constraint_stats_list.Viol_rms 0.0108 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0012 _Distance_constraint_stats_list.Viol_average_violations_only 0.0593 _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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 LEU 1.037 0.105 13 0 "[ . 1 . 2]" 1 5 SER 0.529 0.105 13 0 "[ . 1 . 2]" 1 6 TRP 1.388 0.100 15 0 "[ . 1 . 2]" 1 7 THR 0.067 0.023 12 0 "[ . 1 . 2]" 1 8 ALA 0.006 0.006 13 0 "[ . 1 . 2]" 1 9 GLU 1.196 0.120 14 0 "[ . 1 . 2]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLU 0.047 0.034 3 0 "[ . 1 . 2]" 1 12 LYS 0.356 0.078 7 0 "[ . 1 . 2]" 1 13 MET 0.461 0.099 6 0 "[ . 1 . 2]" 1 14 LEU 0.174 0.066 6 0 "[ . 1 . 2]" 1 15 GLY 0.545 0.181 20 0 "[ . 1 . 2]" 1 16 LYS 2.619 0.181 20 0 "[ . 1 . 2]" 1 17 VAL 1.897 0.135 19 0 "[ . 1 . 2]" 1 18 PRO 1.758 0.202 5 0 "[ . 1 . 2]" 1 19 PHE 1.662 0.202 5 0 "[ . 1 . 2]" 1 20 PHE 1.251 0.132 1 0 "[ . 1 . 2]" 1 21 VAL 1.913 0.110 15 0 "[ . 1 . 2]" 1 22 ARG 1.578 0.169 6 0 "[ . 1 . 2]" 1 23 LYS 0.416 0.169 6 0 "[ . 1 . 2]" 1 24 LYS 0.635 0.123 2 0 "[ . 1 . 2]" 1 25 VAL 0.078 0.078 8 0 "[ . 1 . 2]" 1 26 ARG 0.283 0.067 11 0 "[ . 1 . 2]" 1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ASN 2.279 0.224 15 0 "[ . 1 . 2]" 1 29 THR 6.994 0.224 15 0 "[ . 1 . 2]" 1 30 ASP 0.148 0.045 13 0 "[ . 1 . 2]" 1 31 ASN 0.239 0.126 3 0 "[ . 1 . 2]" 1 32 TYR 4.271 0.213 19 0 "[ . 1 . 2]" 1 33 ALA 0.051 0.035 10 0 "[ . 1 . 2]" 1 34 ARG 2.425 0.196 15 0 "[ . 1 . 2]" 1 35 GLU 2.204 0.196 15 0 "[ . 1 . 2]" 1 36 ILE 0.250 0.093 5 0 "[ . 1 . 2]" 1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 GLU 0.380 0.085 8 0 "[ . 1 . 2]" 1 39 PRO 0.021 0.021 10 0 "[ . 1 . 2]" 1 40 VAL 0.019 0.012 17 0 "[ . 1 . 2]" 1 41 VAL 1.071 0.111 1 0 "[ . 1 . 2]" 1 42 THR 0.007 0.007 7 0 "[ . 1 . 2]" 1 43 ALA 1.441 0.120 14 0 "[ . 1 . 2]" 1 44 ASP 0.192 0.118 17 0 "[ . 1 . 2]" 1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 PHE 0.117 0.067 1 0 "[ . 1 . 2]" 1 47 ARG 0.273 0.118 17 0 "[ . 1 . 2]" 1 48 LYS 0.459 0.093 5 0 "[ . 1 . 2]" 1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 LYS 0.440 0.160 19 0 "[ . 1 . 2]" 1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 HIS 0.029 0.029 11 0 "[ . 1 . 2]" 1 53 LEU 1.040 0.179 19 0 "[ . 1 . 2]" 1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 GLY 0.208 0.083 8 0 "[ . 1 . 2]" 1 56 LEU 0.122 0.035 11 0 "[ . 1 . 2]" 1 57 GLU 0.130 0.038 8 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 3 GLU HA 1 4 LEU HB2 5.500 . 5.500 4.645 4.200 4.884 . 0 0 "[ . 1 . 2]" 1 2 1 3 GLU HA 1 4 LEU HG 5.500 . 5.500 3.884 3.573 4.837 . 0 0 "[ . 1 . 2]" 1 3 1 3 GLU QG 1 4 LEU H 5.500 . 5.500 3.712 2.502 4.502 . 0 0 "[ . 1 . 2]" 1 4 1 4 LEU H 1 4 LEU MD1 5.500 . 5.500 3.822 3.602 4.410 . 0 0 "[ . 1 . 2]" 1 5 1 4 LEU H 1 4 LEU MD2 5.500 . 5.500 3.471 2.891 4.225 . 0 0 "[ . 1 . 2]" 1 6 1 4 LEU H 1 4 LEU HG 4.810 . 4.810 2.615 2.165 3.645 . 0 0 "[ . 1 . 2]" 1 7 1 4 LEU HA 1 4 LEU MD2 4.020 . 4.020 1.990 1.900 2.064 . 0 0 "[ . 1 . 2]" 1 8 1 4 LEU HA 1 5 SER H 3.450 . 3.450 2.564 2.146 3.444 . 0 0 "[ . 1 . 2]" 1 9 1 4 LEU HA 1 5 SER QB 5.500 . 5.500 4.483 4.000 5.033 . 0 0 "[ . 1 . 2]" 1 10 1 4 LEU HB2 1 5 SER H 5.020 . 5.020 3.319 1.878 3.941 . 0 0 "[ . 1 . 2]" 1 11 1 4 LEU HB2 1 5 SER QB 5.500 . 5.500 5.238 4.315 5.605 0.105 13 0 "[ . 1 . 2]" 1 12 1 4 LEU HB2 1 6 TRP HD1 4.790 . 4.790 3.471 2.606 4.050 . 0 0 "[ . 1 . 2]" 1 13 1 4 LEU HB2 1 6 TRP HE1 5.170 . 5.170 3.363 2.333 3.999 . 0 0 "[ . 1 . 2]" 1 14 1 4 LEU HB2 1 30 ASP HA 5.500 . 5.500 3.710 2.898 4.727 . 0 0 "[ . 1 . 2]" 1 15 1 4 LEU HB2 1 39 PRO HA 5.500 . 5.500 5.226 4.656 5.521 0.021 10 0 "[ . 1 . 2]" 1 16 1 4 LEU HB2 1 41 VAL MG2 4.540 . 4.540 2.727 2.042 3.906 . 0 0 "[ . 1 . 2]" 1 17 1 4 LEU HB3 1 5 SER H 4.340 . 4.340 2.203 1.690 2.972 . 0 0 "[ . 1 . 2]" 1 18 1 4 LEU HB3 1 6 TRP HD1 5.500 . 5.500 4.399 3.554 5.297 . 0 0 "[ . 1 . 2]" 1 19 1 4 LEU HB3 1 6 TRP HE1 5.500 . 5.500 4.811 3.915 5.565 0.065 17 0 "[ . 1 . 2]" 1 20 1 4 LEU HB3 1 41 VAL H 5.390 . 5.390 3.852 3.493 4.195 . 0 0 "[ . 1 . 2]" 1 21 1 4 LEU HB3 1 41 VAL MG2 4.540 . 4.540 2.730 2.114 3.173 . 0 0 "[ . 1 . 2]" 1 22 1 4 LEU MD1 1 29 THR HB 5.500 . 5.500 4.954 3.660 5.554 0.054 2 0 "[ . 1 . 2]" 1 23 1 4 LEU MD1 1 30 ASP H 5.500 . 5.500 4.547 3.602 5.016 . 0 0 "[ . 1 . 2]" 1 24 1 4 LEU MD1 1 30 ASP HA 3.950 . 3.950 2.170 1.646 2.621 . 0 0 "[ . 1 . 2]" 1 25 1 4 LEU MD1 1 30 ASP QB 4.930 . 4.930 3.514 2.529 4.029 . 0 0 "[ . 1 . 2]" 1 26 1 4 LEU MD1 1 33 ALA H 5.500 . 5.500 3.598 3.271 4.331 . 0 0 "[ . 1 . 2]" 1 27 1 4 LEU MD1 1 33 ALA MB 3.780 . 3.780 1.865 1.652 2.611 . 0 0 "[ . 1 . 2]" 1 28 1 4 LEU MD1 1 34 ARG H 4.770 . 4.770 2.889 2.126 3.454 . 0 0 "[ . 1 . 2]" 1 29 1 4 LEU MD1 1 34 ARG HA 5.500 . 5.500 3.638 2.787 4.653 . 0 0 "[ . 1 . 2]" 1 30 1 4 LEU MD1 1 34 ARG QB 4.570 . 4.570 3.490 2.183 4.435 . 0 0 "[ . 1 . 2]" 1 31 1 4 LEU MD1 1 34 ARG QD 5.340 . 5.340 3.520 2.267 4.600 . 0 0 "[ . 1 . 2]" 1 32 1 4 LEU MD1 1 34 ARG QG 4.890 . 4.890 2.763 1.662 4.916 0.026 13 0 "[ . 1 . 2]" 1 33 1 4 LEU MD1 1 39 PRO HA 5.500 . 5.500 3.264 2.465 4.267 . 0 0 "[ . 1 . 2]" 1 34 1 4 LEU MD1 1 41 VAL H 5.500 . 5.500 4.577 4.065 4.900 . 0 0 "[ . 1 . 2]" 1 35 1 4 LEU MD1 1 41 VAL MG2 3.920 . 3.920 2.534 2.156 2.807 . 0 0 "[ . 1 . 2]" 1 36 1 4 LEU MD2 1 5 SER H 5.060 . 5.060 3.402 3.073 4.099 . 0 0 "[ . 1 . 2]" 1 37 1 4 LEU MD2 1 33 ALA MB 4.840 . 4.840 3.607 2.676 4.038 . 0 0 "[ . 1 . 2]" 1 38 1 4 LEU MD2 1 34 ARG H 5.500 . 5.500 4.462 3.783 5.199 . 0 0 "[ . 1 . 2]" 1 39 1 4 LEU MD2 1 34 ARG QB 5.340 . 5.340 4.052 2.192 4.999 . 0 0 "[ . 1 . 2]" 1 40 1 4 LEU MD2 1 34 ARG HD2 5.500 . 5.500 3.800 2.078 5.086 . 0 0 "[ . 1 . 2]" 1 41 1 4 LEU MD2 1 34 ARG HD3 5.500 . 5.500 4.383 2.021 5.536 0.036 16 0 "[ . 1 . 2]" 1 42 1 4 LEU MD2 1 34 ARG QG 5.500 . 5.500 2.889 1.901 3.970 . 0 0 "[ . 1 . 2]" 1 43 1 4 LEU MD2 1 39 PRO HA 4.260 . 4.260 2.137 1.621 2.824 . 0 0 "[ . 1 . 2]" 1 44 1 4 LEU MD2 1 39 PRO QB 4.760 . 4.760 3.302 2.701 4.083 . 0 0 "[ . 1 . 2]" 1 45 1 4 LEU MD2 1 39 PRO QG 5.350 . 5.350 4.636 3.876 5.203 . 0 0 "[ . 1 . 2]" 1 46 1 4 LEU MD2 1 41 VAL MG2 4.100 . 4.100 4.003 3.317 4.171 0.071 17 0 "[ . 1 . 2]" 1 47 1 5 SER H 1 5 SER QB 3.720 . 3.720 2.482 2.310 2.900 . 0 0 "[ . 1 . 2]" 1 48 1 5 SER H 1 40 VAL MG2 5.500 . 5.500 4.027 3.518 5.410 . 0 0 "[ . 1 . 2]" 1 49 1 5 SER HA 1 6 TRP H 3.250 . 3.250 2.159 2.135 2.196 . 0 0 "[ . 1 . 2]" 1 50 1 5 SER HA 1 6 TRP HD1 3.970 . 3.970 3.835 3.378 4.036 0.066 9 0 "[ . 1 . 2]" 1 51 1 5 SER QB 1 6 TRP H 3.990 . 3.990 3.634 3.167 3.994 0.004 3 0 "[ . 1 . 2]" 1 52 1 5 SER QB 1 40 VAL HA 5.380 . 5.380 2.309 1.857 2.762 . 0 0 "[ . 1 . 2]" 1 53 1 5 SER QB 1 40 VAL HB 5.500 . 5.500 4.441 4.036 5.225 . 0 0 "[ . 1 . 2]" 1 54 1 5 SER QB 1 40 VAL MG1 4.350 . 4.350 2.607 2.232 3.367 . 0 0 "[ . 1 . 2]" 1 55 1 5 SER QB 1 40 VAL MG2 4.150 . 4.150 2.275 1.804 3.070 . 0 0 "[ . 1 . 2]" 1 56 1 6 TRP H 1 6 TRP QB 3.630 . 3.630 2.290 2.243 2.385 . 0 0 "[ . 1 . 2]" 1 57 1 6 TRP H 1 6 TRP HD1 3.790 . 3.790 2.756 2.400 3.274 . 0 0 "[ . 1 . 2]" 1 58 1 6 TRP H 1 7 THR H 4.960 . 4.960 4.497 4.417 4.574 . 0 0 "[ . 1 . 2]" 1 59 1 6 TRP HA 1 6 TRP HD1 4.310 . 4.310 3.534 3.230 3.747 . 0 0 "[ . 1 . 2]" 1 60 1 6 TRP HA 1 6 TRP HE3 4.880 . 4.880 3.903 3.663 4.341 . 0 0 "[ . 1 . 2]" 1 61 1 6 TRP HA 1 7 THR H 3.330 . 3.330 2.167 2.100 2.232 . 0 0 "[ . 1 . 2]" 1 62 1 6 TRP HA 1 7 THR HA 5.500 . 5.500 4.359 4.324 4.387 . 0 0 "[ . 1 . 2]" 1 63 1 6 TRP HA 1 7 THR MG 5.500 . 5.500 3.731 3.601 3.849 . 0 0 "[ . 1 . 2]" 1 64 1 6 TRP HA 1 10 ALA MB 5.270 . 5.270 3.455 3.039 3.944 . 0 0 "[ . 1 . 2]" 1 65 1 6 TRP HA 1 40 VAL HA 5.450 . 5.450 4.717 4.400 5.124 . 0 0 "[ . 1 . 2]" 1 66 1 6 TRP HA 1 40 VAL MG1 4.680 . 4.680 4.131 3.835 4.496 . 0 0 "[ . 1 . 2]" 1 67 1 6 TRP HA 1 41 VAL H 4.080 . 4.080 3.045 2.816 3.371 . 0 0 "[ . 1 . 2]" 1 68 1 6 TRP HA 1 41 VAL HB 3.800 . 3.800 2.306 1.967 2.765 . 0 0 "[ . 1 . 2]" 1 69 1 6 TRP HA 1 41 VAL MG1 4.940 . 4.940 3.715 3.394 4.058 . 0 0 "[ . 1 . 2]" 1 70 1 6 TRP HA 1 41 VAL MG2 4.780 . 4.780 3.629 3.398 4.001 . 0 0 "[ . 1 . 2]" 1 71 1 6 TRP QB 1 6 TRP HE3 3.520 . 3.520 2.380 2.353 2.424 . 0 0 "[ . 1 . 2]" 1 72 1 6 TRP QB 1 6 TRP HZ3 5.500 . 5.500 4.652 4.618 4.690 . 0 0 "[ . 1 . 2]" 1 73 1 6 TRP QB 1 7 THR H 4.070 . 4.070 3.142 2.945 3.331 . 0 0 "[ . 1 . 2]" 1 74 1 6 TRP QB 1 10 ALA MB 4.160 . 4.160 3.022 2.401 3.833 . 0 0 "[ . 1 . 2]" 1 75 1 6 TRP QB 1 11 GLU H 4.940 . 4.940 3.903 3.535 4.416 . 0 0 "[ . 1 . 2]" 1 76 1 6 TRP QB 1 11 GLU QB 5.340 . 5.340 4.316 3.750 4.836 . 0 0 "[ . 1 . 2]" 1 77 1 6 TRP QB 1 11 GLU HG2 4.630 . 4.630 2.635 2.029 3.271 . 0 0 "[ . 1 . 2]" 1 78 1 6 TRP QB 1 11 GLU QG 4.030 . 4.030 2.458 2.004 3.046 . 0 0 "[ . 1 . 2]" 1 79 1 6 TRP QB 1 11 GLU HG3 4.630 . 4.630 3.323 2.191 4.394 . 0 0 "[ . 1 . 2]" 1 80 1 6 TRP QB 1 41 VAL HB 5.500 . 5.500 3.845 3.588 4.146 . 0 0 "[ . 1 . 2]" 1 81 1 6 TRP QB 1 41 VAL MG1 5.500 . 5.500 4.318 3.934 4.623 . 0 0 "[ . 1 . 2]" 1 82 1 6 TRP HD1 1 41 VAL HB 4.380 . 4.380 4.014 3.539 4.389 0.009 14 0 "[ . 1 . 2]" 1 83 1 6 TRP HD1 1 41 VAL MG2 4.170 . 4.170 3.623 3.156 4.177 0.007 10 0 "[ . 1 . 2]" 1 84 1 6 TRP HE1 1 26 ARG HA 5.500 . 5.500 4.798 3.882 5.567 0.067 11 0 "[ . 1 . 2]" 1 85 1 6 TRP HE1 1 26 ARG HG2 5.500 . 5.500 3.525 3.031 4.028 . 0 0 "[ . 1 . 2]" 1 86 1 6 TRP HE1 1 26 ARG HG3 5.500 . 5.500 3.975 3.007 5.489 . 0 0 "[ . 1 . 2]" 1 87 1 6 TRP HE1 1 29 THR HG1 5.200 . 5.200 4.814 3.999 5.300 0.100 15 0 "[ . 1 . 2]" 1 88 1 6 TRP HE1 1 30 ASP H 5.500 . 5.500 4.399 3.702 5.507 0.007 10 0 "[ . 1 . 2]" 1 89 1 6 TRP HE1 1 30 ASP HA 5.500 . 5.500 3.804 3.070 5.143 . 0 0 "[ . 1 . 2]" 1 90 1 6 TRP HE1 1 41 VAL HB 5.040 . 5.040 4.317 3.672 4.623 . 0 0 "[ . 1 . 2]" 1 91 1 6 TRP HE1 1 41 VAL MG2 4.040 . 4.040 2.962 2.650 3.379 . 0 0 "[ . 1 . 2]" 1 92 1 6 TRP HE3 1 10 ALA MB 3.610 . 3.610 2.094 1.804 2.436 . 0 0 "[ . 1 . 2]" 1 93 1 6 TRP HE3 1 11 GLU H 4.380 . 4.380 3.456 3.118 3.778 . 0 0 "[ . 1 . 2]" 1 94 1 6 TRP HE3 1 11 GLU HA 4.090 . 4.090 3.453 2.927 3.928 . 0 0 "[ . 1 . 2]" 1 95 1 6 TRP HE3 1 11 GLU HG2 5.500 . 5.500 3.092 2.204 4.141 . 0 0 "[ . 1 . 2]" 1 96 1 6 TRP HE3 1 11 GLU HG3 5.500 . 5.500 4.357 2.257 5.506 0.006 10 0 "[ . 1 . 2]" 1 97 1 6 TRP HE3 1 14 LEU HB2 5.500 . 5.500 4.142 3.384 5.119 . 0 0 "[ . 1 . 2]" 1 98 1 6 TRP HE3 1 14 LEU HB3 5.500 . 5.500 4.486 4.149 5.087 . 0 0 "[ . 1 . 2]" 1 99 1 6 TRP HE3 1 14 LEU MD2 5.500 . 5.500 3.473 3.012 4.191 . 0 0 "[ . 1 . 2]" 1 100 1 6 TRP HE3 1 41 VAL MG1 4.900 . 4.900 3.596 3.383 4.015 . 0 0 "[ . 1 . 2]" 1 101 1 6 TRP HE3 1 41 VAL MG2 5.500 . 5.500 5.004 4.791 5.341 . 0 0 "[ . 1 . 2]" 1 102 1 6 TRP HH2 1 14 LEU QB 4.650 . 4.650 3.956 3.210 4.636 . 0 0 "[ . 1 . 2]" 1 103 1 6 TRP HH2 1 14 LEU MD1 4.430 . 4.430 3.141 2.661 3.663 . 0 0 "[ . 1 . 2]" 1 104 1 6 TRP HH2 1 14 LEU MD2 4.740 . 4.740 3.045 2.490 3.612 . 0 0 "[ . 1 . 2]" 1 105 1 6 TRP HH2 1 26 ARG HA 4.330 . 4.330 2.772 2.444 3.261 . 0 0 "[ . 1 . 2]" 1 106 1 6 TRP HH2 1 26 ARG QG 5.340 . 5.340 3.512 2.803 4.321 . 0 0 "[ . 1 . 2]" 1 107 1 6 TRP HH2 1 29 THR HB 5.450 . 5.450 3.225 2.476 4.053 . 0 0 "[ . 1 . 2]" 1 108 1 6 TRP HH2 1 29 THR HG1 4.460 . 4.460 2.767 1.549 3.876 . 0 0 "[ . 1 . 2]" 1 109 1 6 TRP HH2 1 29 THR MG 4.130 . 4.130 2.877 2.373 3.313 . 0 0 "[ . 1 . 2]" 1 110 1 6 TRP HH2 1 41 VAL MG1 5.070 . 5.070 3.488 3.113 3.942 . 0 0 "[ . 1 . 2]" 1 111 1 6 TRP HH2 1 41 VAL MG2 5.500 . 5.500 4.799 4.234 5.311 . 0 0 "[ . 1 . 2]" 1 112 1 6 TRP HH2 1 46 PHE QD 5.260 . 5.260 2.772 2.315 3.320 . 0 0 "[ . 1 . 2]" 1 113 1 6 TRP HH2 1 46 PHE QE 4.350 . 4.350 2.671 1.988 3.638 . 0 0 "[ . 1 . 2]" 1 114 1 6 TRP HZ2 1 14 LEU MD1 5.500 . 5.500 4.856 4.253 5.531 0.031 5 0 "[ . 1 . 2]" 1 115 1 6 TRP HZ2 1 14 LEU MD2 5.390 . 5.390 4.126 3.512 4.635 . 0 0 "[ . 1 . 2]" 1 116 1 6 TRP HZ2 1 26 ARG HA 3.360 . 3.360 2.539 2.008 3.153 . 0 0 "[ . 1 . 2]" 1 117 1 6 TRP HZ2 1 26 ARG QB 4.640 . 4.640 4.076 3.483 4.346 . 0 0 "[ . 1 . 2]" 1 118 1 6 TRP HZ2 1 26 ARG HG2 4.190 . 4.190 3.165 2.277 4.050 . 0 0 "[ . 1 . 2]" 1 119 1 6 TRP HZ2 1 26 ARG QG 3.580 . 3.580 2.685 2.263 3.324 . 0 0 "[ . 1 . 2]" 1 120 1 6 TRP HZ2 1 26 ARG HG3 4.190 . 4.190 3.179 2.370 4.219 0.029 13 0 "[ . 1 . 2]" 1 121 1 6 TRP HZ2 1 29 THR H 4.900 . 4.900 3.916 3.349 4.681 . 0 0 "[ . 1 . 2]" 1 122 1 6 TRP HZ2 1 29 THR HB 4.740 . 4.740 2.451 1.625 3.521 . 0 0 "[ . 1 . 2]" 1 123 1 6 TRP HZ2 1 29 THR HG1 3.140 . 3.140 2.290 1.767 2.615 . 0 0 "[ . 1 . 2]" 1 124 1 6 TRP HZ2 1 29 THR MG 3.640 . 3.640 3.572 3.102 3.720 0.080 16 0 "[ . 1 . 2]" 1 125 1 6 TRP HZ2 1 30 ASP H 4.200 . 4.200 3.325 2.665 4.212 0.012 13 0 "[ . 1 . 2]" 1 126 1 6 TRP HZ2 1 41 VAL MG1 4.530 . 4.530 3.462 3.114 3.674 . 0 0 "[ . 1 . 2]" 1 127 1 6 TRP HZ2 1 41 VAL MG2 4.280 . 4.280 3.577 3.256 3.901 . 0 0 "[ . 1 . 2]" 1 128 1 6 TRP HZ3 1 10 ALA MB 4.970 . 4.970 2.603 2.283 3.004 . 0 0 "[ . 1 . 2]" 1 129 1 6 TRP HZ3 1 11 GLU HA 5.290 . 5.290 4.048 3.191 4.761 . 0 0 "[ . 1 . 2]" 1 130 1 6 TRP HZ3 1 14 LEU H 5.010 . 5.010 4.353 3.682 4.888 . 0 0 "[ . 1 . 2]" 1 131 1 6 TRP HZ3 1 14 LEU QB 3.900 . 3.900 2.508 1.975 3.029 . 0 0 "[ . 1 . 2]" 1 132 1 6 TRP HZ3 1 14 LEU MD1 4.740 . 4.740 3.336 2.663 4.054 . 0 0 "[ . 1 . 2]" 1 133 1 6 TRP HZ3 1 14 LEU MD2 5.500 . 5.500 2.628 2.259 3.017 . 0 0 "[ . 1 . 2]" 1 134 1 6 TRP HZ3 1 46 PHE QD 3.890 . 3.890 2.970 2.249 3.767 . 0 0 "[ . 1 . 2]" 1 135 1 6 TRP HZ3 1 46 PHE QE 5.290 . 5.290 3.267 2.732 4.203 . 0 0 "[ . 1 . 2]" 1 136 1 7 THR H 1 7 THR MG 3.630 . 3.630 2.519 2.370 2.694 . 0 0 "[ . 1 . 2]" 1 137 1 7 THR H 1 8 ALA H 5.500 . 5.500 4.559 4.504 4.604 . 0 0 "[ . 1 . 2]" 1 138 1 7 THR H 1 10 ALA H 5.160 . 5.160 3.719 3.419 4.039 . 0 0 "[ . 1 . 2]" 1 139 1 7 THR H 1 10 ALA MB 3.930 . 3.930 2.632 2.250 3.274 . 0 0 "[ . 1 . 2]" 1 140 1 7 THR H 1 40 VAL MG1 4.760 . 4.760 3.960 3.728 4.343 . 0 0 "[ . 1 . 2]" 1 141 1 7 THR H 1 41 VAL H 5.500 . 5.500 4.136 3.962 4.413 . 0 0 "[ . 1 . 2]" 1 142 1 7 THR H 1 41 VAL HB 5.070 . 5.070 3.589 3.243 4.053 . 0 0 "[ . 1 . 2]" 1 143 1 7 THR H 1 41 VAL MG1 5.500 . 5.500 4.059 3.820 4.443 . 0 0 "[ . 1 . 2]" 1 144 1 7 THR H 1 41 VAL MG2 5.500 . 5.500 4.966 4.705 5.302 . 0 0 "[ . 1 . 2]" 1 145 1 7 THR HA 1 7 THR MG 3.660 . 3.660 2.319 2.272 2.371 . 0 0 "[ . 1 . 2]" 1 146 1 7 THR HA 1 8 ALA H 3.440 . 3.440 2.446 2.322 2.569 . 0 0 "[ . 1 . 2]" 1 147 1 7 THR HA 1 8 ALA MB 4.870 . 4.870 4.168 4.100 4.243 . 0 0 "[ . 1 . 2]" 1 148 1 7 THR HA 1 9 GLU H 5.440 . 5.440 4.305 4.035 4.620 . 0 0 "[ . 1 . 2]" 1 149 1 7 THR HB 1 8 ALA H 3.680 . 3.680 2.310 2.063 2.587 . 0 0 "[ . 1 . 2]" 1 150 1 7 THR HB 1 8 ALA MB 4.950 . 4.950 3.833 3.681 4.049 . 0 0 "[ . 1 . 2]" 1 151 1 7 THR HB 1 9 GLU H 4.130 . 4.130 2.719 2.369 3.056 . 0 0 "[ . 1 . 2]" 1 152 1 7 THR HB 1 10 ALA H 4.980 . 4.980 3.770 3.318 4.272 . 0 0 "[ . 1 . 2]" 1 153 1 7 THR HG1 1 8 ALA H 5.500 . 5.500 4.341 3.588 4.827 . 0 0 "[ . 1 . 2]" 1 154 1 7 THR HG1 1 9 GLU H 4.450 . 4.450 3.666 2.778 4.460 0.010 16 0 "[ . 1 . 2]" 1 155 1 7 THR HG1 1 9 GLU HB2 5.500 . 5.500 3.393 2.272 5.382 . 0 0 "[ . 1 . 2]" 1 156 1 7 THR HG1 1 9 GLU QB 4.750 . 4.750 3.308 2.257 4.772 0.022 7 0 "[ . 1 . 2]" 1 157 1 7 THR HG1 1 9 GLU HB3 5.500 . 5.500 4.866 3.859 5.523 0.023 12 0 "[ . 1 . 2]" 1 158 1 7 THR HG1 1 10 ALA H 4.030 . 4.030 3.093 2.720 3.612 . 0 0 "[ . 1 . 2]" 1 159 1 7 THR HG1 1 10 ALA MB 4.760 . 4.760 3.167 2.297 3.964 . 0 0 "[ . 1 . 2]" 1 160 1 7 THR HG1 1 42 THR MG 5.220 . 5.220 2.982 2.219 3.698 . 0 0 "[ . 1 . 2]" 1 161 1 7 THR HG1 1 43 ALA H 4.210 . 4.210 3.462 2.717 4.147 . 0 0 "[ . 1 . 2]" 1 162 1 7 THR MG 1 8 ALA H 4.590 . 4.590 3.567 3.412 3.643 . 0 0 "[ . 1 . 2]" 1 163 1 7 THR MG 1 9 GLU H 5.090 . 5.090 4.275 4.052 4.502 . 0 0 "[ . 1 . 2]" 1 164 1 7 THR MG 1 10 ALA H 5.500 . 5.500 4.435 4.170 4.819 . 0 0 "[ . 1 . 2]" 1 165 1 7 THR MG 1 40 VAL MG1 3.610 . 3.610 2.227 2.025 2.589 . 0 0 "[ . 1 . 2]" 1 166 1 7 THR MG 1 42 THR HA 3.600 . 3.600 2.860 2.400 3.536 . 0 0 "[ . 1 . 2]" 1 167 1 8 ALA H 1 8 ALA MB 3.450 . 3.450 2.234 2.220 2.245 . 0 0 "[ . 1 . 2]" 1 168 1 8 ALA H 1 9 GLU H 4.200 . 4.200 2.648 2.556 2.770 . 0 0 "[ . 1 . 2]" 1 169 1 8 ALA H 1 9 GLU HA 5.500 . 5.500 5.253 5.163 5.363 . 0 0 "[ . 1 . 2]" 1 170 1 8 ALA H 1 10 ALA H 5.500 . 5.500 4.311 4.034 4.642 . 0 0 "[ . 1 . 2]" 1 171 1 8 ALA HA 1 11 GLU H 4.610 . 4.610 3.457 3.202 3.740 . 0 0 "[ . 1 . 2]" 1 172 1 8 ALA HA 1 11 GLU HB2 4.610 . 4.610 2.577 2.095 3.057 . 0 0 "[ . 1 . 2]" 1 173 1 8 ALA HA 1 11 GLU HB3 4.610 . 4.610 4.151 3.723 4.594 . 0 0 "[ . 1 . 2]" 1 174 1 8 ALA HA 1 11 GLU HG2 5.190 . 5.190 4.329 3.558 5.196 0.006 13 0 "[ . 1 . 2]" 1 175 1 8 ALA HA 1 11 GLU HG3 5.190 . 5.190 3.674 2.824 4.820 . 0 0 "[ . 1 . 2]" 1 176 1 8 ALA MB 1 9 GLU H 3.790 . 3.790 2.670 2.442 2.853 . 0 0 "[ . 1 . 2]" 1 177 1 8 ALA MB 1 9 GLU HA 4.820 . 4.820 3.880 3.743 3.987 . 0 0 "[ . 1 . 2]" 1 178 1 9 GLU H 1 9 GLU HB2 3.810 . 3.810 2.639 2.225 3.589 . 0 0 "[ . 1 . 2]" 1 179 1 9 GLU H 1 9 GLU QB 3.310 . 3.310 2.531 2.202 2.883 . 0 0 "[ . 1 . 2]" 1 180 1 9 GLU H 1 9 GLU HB3 3.810 . 3.810 3.537 2.679 3.617 . 0 0 "[ . 1 . 2]" 1 181 1 9 GLU H 1 9 GLU QG 4.420 . 4.420 2.433 1.831 3.494 . 0 0 "[ . 1 . 2]" 1 182 1 9 GLU H 1 10 ALA H 3.860 . 3.860 2.703 2.545 2.848 . 0 0 "[ . 1 . 2]" 1 183 1 9 GLU H 1 10 ALA MB 5.500 . 5.500 4.378 4.202 4.504 . 0 0 "[ . 1 . 2]" 1 184 1 9 GLU HA 1 12 LYS QE 5.500 . 5.500 4.007 1.594 5.559 0.059 10 0 "[ . 1 . 2]" 1 185 1 9 GLU HA 1 43 ALA H 5.500 . 5.500 5.506 5.096 5.620 0.120 14 0 "[ . 1 . 2]" 1 186 1 9 GLU QB 1 42 THR HA 5.000 . 5.000 3.793 3.089 4.872 . 0 0 "[ . 1 . 2]" 1 187 1 9 GLU QB 1 43 ALA H 5.310 . 5.310 2.648 2.275 3.375 . 0 0 "[ . 1 . 2]" 1 188 1 9 GLU QB 1 43 ALA MB 4.380 . 4.380 1.699 1.400 2.088 . 0 0 "[ . 1 . 2]" 1 189 1 9 GLU HB2 1 10 ALA H 4.260 . 4.260 2.569 2.200 3.725 . 0 0 "[ . 1 . 2]" 1 190 1 9 GLU HB3 1 10 ALA H 4.260 . 4.260 3.627 3.206 4.065 . 0 0 "[ . 1 . 2]" 1 191 1 9 GLU QG 1 10 ALA H 5.500 . 5.500 3.999 2.209 4.513 . 0 0 "[ . 1 . 2]" 1 192 1 9 GLU QG 1 43 ALA MB 4.650 . 4.650 3.045 2.439 3.758 . 0 0 "[ . 1 . 2]" 1 193 1 10 ALA H 1 10 ALA MB 3.340 . 3.340 2.236 2.222 2.254 . 0 0 "[ . 1 . 2]" 1 194 1 10 ALA H 1 11 GLU H 3.700 . 3.700 2.636 2.500 2.727 . 0 0 "[ . 1 . 2]" 1 195 1 10 ALA H 1 42 THR HA 5.240 . 5.240 3.888 3.574 4.180 . 0 0 "[ . 1 . 2]" 1 196 1 10 ALA H 1 43 ALA H 5.500 . 5.500 4.075 3.808 4.427 . 0 0 "[ . 1 . 2]" 1 197 1 10 ALA HA 1 13 MET H 4.790 . 4.790 3.541 3.261 3.676 . 0 0 "[ . 1 . 2]" 1 198 1 10 ALA HA 1 13 MET QB 4.020 . 4.020 3.072 2.478 3.423 . 0 0 "[ . 1 . 2]" 1 199 1 10 ALA HA 1 13 MET QG 4.920 . 4.920 3.902 2.746 4.228 . 0 0 "[ . 1 . 2]" 1 200 1 10 ALA HA 1 46 PHE HB3 5.320 . 5.320 3.692 3.134 4.357 . 0 0 "[ . 1 . 2]" 1 201 1 10 ALA HA 1 46 PHE QD 5.500 . 5.500 3.972 2.790 4.974 . 0 0 "[ . 1 . 2]" 1 202 1 10 ALA MB 1 11 GLU H 3.880 . 3.880 2.466 2.299 2.614 . 0 0 "[ . 1 . 2]" 1 203 1 10 ALA MB 1 14 LEU H 5.500 . 5.500 4.516 4.260 4.702 . 0 0 "[ . 1 . 2]" 1 204 1 10 ALA MB 1 41 VAL MG1 3.670 . 3.670 2.389 2.098 2.631 . 0 0 "[ . 1 . 2]" 1 205 1 10 ALA MB 1 42 THR HA 4.160 . 4.160 3.040 2.377 3.605 . 0 0 "[ . 1 . 2]" 1 206 1 10 ALA MB 1 46 PHE H 4.730 . 4.730 4.082 3.669 4.528 . 0 0 "[ . 1 . 2]" 1 207 1 10 ALA MB 1 46 PHE HB2 4.650 . 4.650 2.843 2.331 3.540 . 0 0 "[ . 1 . 2]" 1 208 1 10 ALA MB 1 46 PHE HB3 5.420 . 5.420 3.797 3.029 4.754 . 0 0 "[ . 1 . 2]" 1 209 1 10 ALA MB 1 46 PHE QD 5.190 . 5.190 3.458 2.501 4.297 . 0 0 "[ . 1 . 2]" 1 210 1 11 GLU H 1 11 GLU HB2 4.160 . 4.160 2.364 2.168 2.537 . 0 0 "[ . 1 . 2]" 1 211 1 11 GLU H 1 11 GLU QB 3.560 . 3.560 2.331 2.148 2.489 . 0 0 "[ . 1 . 2]" 1 212 1 11 GLU H 1 11 GLU HB3 4.160 . 4.160 3.564 3.481 3.609 . 0 0 "[ . 1 . 2]" 1 213 1 11 GLU H 1 11 GLU HG2 4.430 . 4.430 2.802 2.282 3.406 . 0 0 "[ . 1 . 2]" 1 214 1 11 GLU H 1 11 GLU HG3 4.430 . 4.430 3.307 2.179 3.967 . 0 0 "[ . 1 . 2]" 1 215 1 11 GLU H 1 12 LYS H 3.820 . 3.820 2.685 2.601 2.772 . 0 0 "[ . 1 . 2]" 1 216 1 11 GLU H 1 13 MET H 5.340 . 5.340 4.300 4.092 4.541 . 0 0 "[ . 1 . 2]" 1 217 1 11 GLU HA 1 14 LEU QB 5.280 . 5.280 2.297 1.777 2.890 . 0 0 "[ . 1 . 2]" 1 218 1 11 GLU HA 1 14 LEU MD1 5.500 . 5.500 4.899 4.329 5.534 0.034 3 0 "[ . 1 . 2]" 1 219 1 11 GLU HA 1 14 LEU MD2 5.210 . 5.210 3.200 2.814 3.715 . 0 0 "[ . 1 . 2]" 1 220 1 11 GLU QB 1 12 LYS H 3.980 . 3.980 2.758 2.540 2.868 . 0 0 "[ . 1 . 2]" 1 221 1 11 GLU QG 1 12 LYS H 5.340 . 5.340 4.267 4.034 4.524 . 0 0 "[ . 1 . 2]" 1 222 1 12 LYS H 1 12 LYS QB 3.300 . 3.300 2.301 2.199 2.480 . 0 0 "[ . 1 . 2]" 1 223 1 12 LYS H 1 12 LYS HG2 4.820 . 4.820 4.007 2.291 4.601 . 0 0 "[ . 1 . 2]" 1 224 1 12 LYS H 1 12 LYS QG 4.000 . 4.000 3.322 2.178 4.045 0.045 11 0 "[ . 1 . 2]" 1 225 1 12 LYS H 1 12 LYS HG3 4.820 . 4.820 3.759 2.202 4.552 . 0 0 "[ . 1 . 2]" 1 226 1 12 LYS H 1 13 MET H 3.720 . 3.720 2.662 2.516 2.787 . 0 0 "[ . 1 . 2]" 1 227 1 12 LYS H 1 13 MET QG 5.340 . 5.340 4.470 4.082 4.722 . 0 0 "[ . 1 . 2]" 1 228 1 12 LYS HA 1 12 LYS QD 4.860 . 4.860 3.594 1.863 4.261 . 0 0 "[ . 1 . 2]" 1 229 1 12 LYS HA 1 12 LYS QE 5.500 . 5.500 4.227 2.840 5.003 . 0 0 "[ . 1 . 2]" 1 230 1 12 LYS HA 1 12 LYS QG 3.740 . 3.740 2.520 2.369 2.944 . 0 0 "[ . 1 . 2]" 1 231 1 12 LYS HA 1 15 GLY H 5.350 . 5.350 3.525 3.216 3.797 . 0 0 "[ . 1 . 2]" 1 232 1 12 LYS HA 1 16 LYS H 5.500 . 5.500 5.202 4.678 5.578 0.078 7 0 "[ . 1 . 2]" 1 233 1 12 LYS QB 1 13 MET H 3.960 . 3.960 2.549 2.302 2.747 . 0 0 "[ . 1 . 2]" 1 234 1 12 LYS QB 1 13 MET QG 5.340 . 5.340 3.151 2.816 3.356 . 0 0 "[ . 1 . 2]" 1 235 1 12 LYS QG 1 13 MET H 5.070 . 5.070 3.890 3.502 4.320 . 0 0 "[ . 1 . 2]" 1 236 1 13 MET H 1 13 MET QB 3.330 . 3.330 2.383 2.334 2.470 . 0 0 "[ . 1 . 2]" 1 237 1 13 MET H 1 13 MET HG2 4.270 . 4.270 3.568 2.144 3.801 . 0 0 "[ . 1 . 2]" 1 238 1 13 MET H 1 13 MET QG 3.500 . 3.500 2.417 2.125 2.612 . 0 0 "[ . 1 . 2]" 1 239 1 13 MET H 1 13 MET HG3 4.270 . 4.270 2.523 2.197 3.499 . 0 0 "[ . 1 . 2]" 1 240 1 13 MET H 1 14 LEU H 3.810 . 3.810 2.460 2.356 2.657 . 0 0 "[ . 1 . 2]" 1 241 1 13 MET HA 1 13 MET QG 3.710 . 3.710 2.412 2.335 2.871 . 0 0 "[ . 1 . 2]" 1 242 1 13 MET HA 1 15 GLY H 5.500 . 5.500 3.935 3.610 4.203 . 0 0 "[ . 1 . 2]" 1 243 1 13 MET HA 1 16 LYS H 5.070 . 5.070 3.660 3.335 4.133 . 0 0 "[ . 1 . 2]" 1 244 1 13 MET HA 1 16 LYS QG 5.340 . 5.340 3.362 2.294 5.414 0.074 20 0 "[ . 1 . 2]" 1 245 1 13 MET QB 1 14 LEU H 4.000 . 4.000 2.722 2.413 2.875 . 0 0 "[ . 1 . 2]" 1 246 1 13 MET QB 1 46 PHE QD 4.680 . 4.680 2.899 2.078 3.691 . 0 0 "[ . 1 . 2]" 1 247 1 13 MET QB 1 46 PHE QE 5.340 . 5.340 2.731 2.065 3.593 . 0 0 "[ . 1 . 2]" 1 248 1 13 MET HB2 1 46 PHE QD 5.500 . 5.500 3.291 2.131 4.218 . 0 0 "[ . 1 . 2]" 1 249 1 13 MET HB3 1 46 PHE QD 5.500 . 5.500 3.343 2.648 4.151 . 0 0 "[ . 1 . 2]" 1 250 1 13 MET ME 1 14 LEU H 5.500 . 5.500 4.530 4.086 5.252 . 0 0 "[ . 1 . 2]" 1 251 1 13 MET ME 1 43 ALA H 5.460 . 5.460 4.645 3.852 5.559 0.099 6 0 "[ . 1 . 2]" 1 252 1 13 MET ME 1 43 ALA HA 4.110 . 4.110 2.469 1.633 3.466 . 0 0 "[ . 1 . 2]" 1 253 1 13 MET ME 1 43 ALA MB 3.530 . 3.530 2.527 2.031 3.257 . 0 0 "[ . 1 . 2]" 1 254 1 13 MET ME 1 46 PHE HB3 4.510 . 4.510 2.374 1.966 3.236 . 0 0 "[ . 1 . 2]" 1 255 1 13 MET ME 1 46 PHE QD 3.940 . 3.940 1.991 1.382 2.833 . 0 0 "[ . 1 . 2]" 1 256 1 13 MET ME 1 47 ARG H 4.930 . 4.930 3.378 2.620 3.936 . 0 0 "[ . 1 . 2]" 1 257 1 13 MET QG 1 46 PHE QD 5.340 . 5.340 4.327 3.647 5.046 . 0 0 "[ . 1 . 2]" 1 258 1 13 MET QG 1 46 PHE QE 5.340 . 5.340 4.654 4.124 5.313 . 0 0 "[ . 1 . 2]" 1 259 1 13 MET HG2 1 14 LEU H 5.500 . 5.500 5.022 4.181 5.151 . 0 0 "[ . 1 . 2]" 1 260 1 13 MET HG2 1 43 ALA MB 5.500 . 5.500 4.944 3.102 5.507 0.007 8 0 "[ . 1 . 2]" 1 261 1 13 MET HG3 1 14 LEU H 5.500 . 5.500 4.445 4.120 4.697 . 0 0 "[ . 1 . 2]" 1 262 1 13 MET HG3 1 43 ALA MB 5.500 . 5.500 4.088 2.672 4.680 . 0 0 "[ . 1 . 2]" 1 263 1 14 LEU H 1 14 LEU QB 3.460 . 3.460 2.241 2.217 2.276 . 0 0 "[ . 1 . 2]" 1 264 1 14 LEU H 1 14 LEU MD1 5.100 . 5.100 4.089 4.006 4.134 . 0 0 "[ . 1 . 2]" 1 265 1 14 LEU H 1 14 LEU MD2 5.230 . 5.230 4.252 4.220 4.295 . 0 0 "[ . 1 . 2]" 1 266 1 14 LEU H 1 14 LEU HG 5.190 . 5.190 4.481 4.458 4.526 . 0 0 "[ . 1 . 2]" 1 267 1 14 LEU H 1 15 GLY H 3.900 . 3.900 2.488 2.401 2.588 . 0 0 "[ . 1 . 2]" 1 268 1 14 LEU H 1 16 LYS H 5.220 . 5.220 4.120 3.929 4.360 . 0 0 "[ . 1 . 2]" 1 269 1 14 LEU H 1 46 PHE QE 5.500 . 5.500 4.291 3.181 5.379 . 0 0 "[ . 1 . 2]" 1 270 1 14 LEU HA 1 14 LEU MD1 3.580 . 3.580 2.054 2.001 2.116 . 0 0 "[ . 1 . 2]" 1 271 1 14 LEU HA 1 16 LYS H 5.030 . 5.030 3.694 3.487 3.962 . 0 0 "[ . 1 . 2]" 1 272 1 14 LEU HA 1 17 VAL H 5.110 . 5.110 3.481 3.167 3.797 . 0 0 "[ . 1 . 2]" 1 273 1 14 LEU HA 1 17 VAL HB 5.300 . 5.300 3.381 2.835 4.167 . 0 0 "[ . 1 . 2]" 1 274 1 14 LEU HA 1 17 VAL MG2 3.780 . 3.780 2.671 2.224 3.095 . 0 0 "[ . 1 . 2]" 1 275 1 14 LEU HA 1 46 PHE QE 4.640 . 4.640 3.501 2.770 4.025 . 0 0 "[ . 1 . 2]" 1 276 1 14 LEU HA 1 46 PHE HZ 4.120 . 4.120 2.961 2.400 3.877 . 0 0 "[ . 1 . 2]" 1 277 1 14 LEU QB 1 15 GLY H 3.880 . 3.880 2.920 2.785 3.147 . 0 0 "[ . 1 . 2]" 1 278 1 14 LEU QB 1 46 PHE QE 4.540 . 4.540 3.198 2.395 4.295 . 0 0 "[ . 1 . 2]" 1 279 1 14 LEU HB2 1 15 GLY H 4.660 . 4.660 4.047 3.938 4.171 . 0 0 "[ . 1 . 2]" 1 280 1 14 LEU HB3 1 15 GLY H 4.660 . 4.660 2.997 2.843 3.258 . 0 0 "[ . 1 . 2]" 1 281 1 14 LEU MD1 1 15 GLY H 5.500 . 5.500 4.647 4.564 4.710 . 0 0 "[ . 1 . 2]" 1 282 1 14 LEU MD1 1 17 VAL H 5.500 . 5.500 4.013 3.656 4.217 . 0 0 "[ . 1 . 2]" 1 283 1 14 LEU MD1 1 17 VAL HB 4.860 . 4.860 2.615 2.117 3.032 . 0 0 "[ . 1 . 2]" 1 284 1 14 LEU MD1 1 22 ARG HA 4.650 . 4.650 2.934 2.270 3.744 . 0 0 "[ . 1 . 2]" 1 285 1 14 LEU MD1 1 22 ARG QD 5.190 . 5.190 3.856 2.517 4.444 . 0 0 "[ . 1 . 2]" 1 286 1 14 LEU MD1 1 22 ARG HE 5.500 . 5.500 4.045 3.303 5.038 . 0 0 "[ . 1 . 2]" 1 287 1 14 LEU MD1 1 22 ARG QG 5.360 . 5.360 2.546 2.016 4.405 . 0 0 "[ . 1 . 2]" 1 288 1 14 LEU MD1 1 25 VAL H 5.500 . 5.500 4.362 3.936 4.798 . 0 0 "[ . 1 . 2]" 1 289 1 14 LEU MD1 1 25 VAL HB 4.200 . 4.200 2.487 2.123 2.806 . 0 0 "[ . 1 . 2]" 1 290 1 14 LEU MD1 1 26 ARG H 4.540 . 4.540 3.305 2.858 3.846 . 0 0 "[ . 1 . 2]" 1 291 1 14 LEU MD1 1 46 PHE QE 4.310 . 4.310 2.279 1.727 2.866 . 0 0 "[ . 1 . 2]" 1 292 1 14 LEU MD1 1 46 PHE HZ 4.010 . 4.010 2.696 2.043 3.605 . 0 0 "[ . 1 . 2]" 1 293 1 14 LEU MD2 1 15 GLY H 5.500 . 5.500 4.713 4.505 4.972 . 0 0 "[ . 1 . 2]" 1 294 1 14 LEU MD2 1 17 VAL MG1 5.500 . 5.500 4.974 4.461 5.297 . 0 0 "[ . 1 . 2]" 1 295 1 14 LEU MD2 1 17 VAL MG2 5.250 . 5.250 4.827 4.171 5.097 . 0 0 "[ . 1 . 2]" 1 296 1 14 LEU MD2 1 22 ARG QD 5.330 . 5.330 3.265 2.610 4.323 . 0 0 "[ . 1 . 2]" 1 297 1 14 LEU MD2 1 22 ARG QG 4.810 . 4.810 2.685 1.943 4.161 . 0 0 "[ . 1 . 2]" 1 298 1 14 LEU MD2 1 25 VAL MG1 4.530 . 4.530 4.076 3.677 4.514 . 0 0 "[ . 1 . 2]" 1 299 1 14 LEU MD2 1 26 ARG H 5.120 . 5.120 3.813 3.215 4.391 . 0 0 "[ . 1 . 2]" 1 300 1 14 LEU MD2 1 26 ARG HA 5.080 . 5.080 3.308 2.639 4.207 . 0 0 "[ . 1 . 2]" 1 301 1 14 LEU MD2 1 26 ARG HB2 5.170 . 5.170 2.497 1.838 4.253 . 0 0 "[ . 1 . 2]" 1 302 1 14 LEU MD2 1 26 ARG QB 4.510 . 4.510 2.445 1.829 3.955 . 0 0 "[ . 1 . 2]" 1 303 1 14 LEU MD2 1 26 ARG HB3 5.170 . 5.170 3.847 3.346 4.703 . 0 0 "[ . 1 . 2]" 1 304 1 14 LEU MD2 1 26 ARG HD2 5.100 . 5.100 3.239 2.032 5.143 0.043 13 0 "[ . 1 . 2]" 1 305 1 14 LEU MD2 1 26 ARG QD 4.420 . 4.420 3.050 2.018 4.365 . 0 0 "[ . 1 . 2]" 1 306 1 14 LEU MD2 1 26 ARG HD3 5.100 . 5.100 4.075 3.411 4.923 . 0 0 "[ . 1 . 2]" 1 307 1 14 LEU MD2 1 26 ARG HE 5.500 . 5.500 3.270 1.756 4.823 . 0 0 "[ . 1 . 2]" 1 308 1 14 LEU MD2 1 26 ARG QG 4.890 . 4.890 2.588 1.992 3.718 . 0 0 "[ . 1 . 2]" 1 309 1 14 LEU MD2 1 26 ARG QH2 5.500 . 5.500 4.009 2.248 5.566 0.066 6 0 "[ . 1 . 2]" 1 310 1 14 LEU HG 1 15 GLY H 5.450 . 5.450 4.239 4.084 4.463 . 0 0 "[ . 1 . 2]" 1 311 1 14 LEU HG 1 22 ARG QD 4.990 . 4.990 2.948 1.804 3.817 . 0 0 "[ . 1 . 2]" 1 312 1 14 LEU HG 1 22 ARG HE 5.500 . 5.500 3.010 1.746 4.220 . 0 0 "[ . 1 . 2]" 1 313 1 15 GLY H 1 16 LYS H 3.720 . 3.720 2.591 2.453 2.678 . 0 0 "[ . 1 . 2]" 1 314 1 15 GLY QA 1 16 LYS QG 5.340 . 5.340 4.409 3.857 5.521 0.181 20 0 "[ . 1 . 2]" 1 315 1 15 GLY QA 1 17 VAL H 5.120 . 5.120 3.447 3.240 3.733 . 0 0 "[ . 1 . 2]" 1 316 1 15 GLY QA 1 22 ARG QD 5.040 . 5.040 3.710 2.758 5.091 0.051 10 0 "[ . 1 . 2]" 1 317 1 15 GLY QA 1 22 ARG HE 5.500 . 5.500 3.000 1.653 3.916 . 0 0 "[ . 1 . 2]" 1 318 1 16 LYS H 1 16 LYS QB 3.440 . 3.440 2.358 2.128 2.515 . 0 0 "[ . 1 . 2]" 1 319 1 16 LYS H 1 16 LYS QD 5.030 . 5.030 3.985 3.438 4.758 . 0 0 "[ . 1 . 2]" 1 320 1 16 LYS H 1 16 LYS HG2 4.390 . 4.390 3.415 2.288 4.481 0.091 16 0 "[ . 1 . 2]" 1 321 1 16 LYS H 1 16 LYS QG 3.820 . 3.820 2.711 2.088 3.921 0.101 20 0 "[ . 1 . 2]" 1 322 1 16 LYS H 1 16 LYS HG3 4.390 . 4.390 3.195 2.112 4.446 0.056 9 0 "[ . 1 . 2]" 1 323 1 16 LYS H 1 17 VAL H 3.540 . 3.540 2.416 2.315 2.586 . 0 0 "[ . 1 . 2]" 1 324 1 16 LYS H 1 17 VAL HB 5.500 . 5.500 4.596 4.266 4.839 . 0 0 "[ . 1 . 2]" 1 325 1 16 LYS H 1 17 VAL MG2 4.990 . 4.990 3.632 3.348 3.843 . 0 0 "[ . 1 . 2]" 1 326 1 16 LYS HA 1 16 LYS QD 4.600 . 4.600 3.448 1.961 4.259 . 0 0 "[ . 1 . 2]" 1 327 1 16 LYS HA 1 16 LYS QG 3.740 . 3.740 2.530 2.234 3.011 . 0 0 "[ . 1 . 2]" 1 328 1 16 LYS QB 1 17 VAL H 4.350 . 4.350 3.015 2.647 3.368 . 0 0 "[ . 1 . 2]" 1 329 1 16 LYS QB 1 17 VAL HB 4.780 . 4.780 4.845 4.771 4.915 0.135 19 0 "[ . 1 . 2]" 1 330 1 16 LYS QB 1 17 VAL MG2 4.560 . 4.560 3.037 2.882 3.243 . 0 0 "[ . 1 . 2]" 1 331 1 16 LYS HB2 1 17 VAL H 5.020 . 5.020 3.323 2.793 4.104 . 0 0 "[ . 1 . 2]" 1 332 1 16 LYS HB2 1 17 VAL MG2 5.250 . 5.250 3.445 2.958 4.488 . 0 0 "[ . 1 . 2]" 1 333 1 16 LYS HB3 1 17 VAL H 5.020 . 5.020 3.794 2.714 4.285 . 0 0 "[ . 1 . 2]" 1 334 1 16 LYS HB3 1 17 VAL MG2 5.250 . 5.250 3.876 3.009 4.415 . 0 0 "[ . 1 . 2]" 1 335 1 16 LYS QG 1 17 VAL H 4.680 . 4.680 4.234 4.013 4.653 . 0 0 "[ . 1 . 2]" 1 336 1 17 VAL H 1 17 VAL HB 3.510 . 3.510 2.472 2.392 2.561 . 0 0 "[ . 1 . 2]" 1 337 1 17 VAL H 1 17 VAL MG1 4.290 . 4.290 3.769 3.742 3.809 . 0 0 "[ . 1 . 2]" 1 338 1 17 VAL H 1 17 VAL MG2 3.590 . 3.590 2.337 2.055 2.620 . 0 0 "[ . 1 . 2]" 1 339 1 17 VAL H 1 18 PRO HD2 5.500 . 5.500 5.053 4.657 5.298 . 0 0 "[ . 1 . 2]" 1 340 1 17 VAL H 1 22 ARG HE 5.320 . 5.320 4.072 3.443 5.027 . 0 0 "[ . 1 . 2]" 1 341 1 17 VAL HA 1 17 VAL MG2 3.720 . 3.720 2.390 2.325 2.439 . 0 0 "[ . 1 . 2]" 1 342 1 17 VAL HA 1 18 PRO HD2 3.710 . 3.710 2.349 1.892 2.612 . 0 0 "[ . 1 . 2]" 1 343 1 17 VAL HA 1 18 PRO HD3 3.280 . 3.280 2.105 1.839 2.593 . 0 0 "[ . 1 . 2]" 1 344 1 17 VAL HA 1 18 PRO QG 5.270 . 5.270 3.806 3.719 3.850 . 0 0 "[ . 1 . 2]" 1 345 1 17 VAL HA 1 21 VAL MG2 5.500 . 5.500 4.177 3.860 4.490 . 0 0 "[ . 1 . 2]" 1 346 1 17 VAL HB 1 18 PRO HD3 5.100 . 5.100 4.841 4.639 5.158 0.058 4 0 "[ . 1 . 2]" 1 347 1 17 VAL HB 1 21 VAL MG2 5.500 . 5.500 4.283 4.094 4.507 . 0 0 "[ . 1 . 2]" 1 348 1 17 VAL HB 1 22 ARG HA 4.880 . 4.880 3.370 2.690 4.020 . 0 0 "[ . 1 . 2]" 1 349 1 17 VAL HB 1 22 ARG QB 4.570 . 4.570 3.600 3.011 4.445 . 0 0 "[ . 1 . 2]" 1 350 1 17 VAL HB 1 22 ARG QD 5.500 . 5.500 4.206 2.187 5.245 . 0 0 "[ . 1 . 2]" 1 351 1 17 VAL HB 1 22 ARG HE 5.180 . 5.180 3.651 2.635 4.706 . 0 0 "[ . 1 . 2]" 1 352 1 17 VAL HB 1 22 ARG QG 4.270 . 4.270 3.001 2.346 4.396 0.126 19 0 "[ . 1 . 2]" 1 353 1 17 VAL MG1 1 18 PRO HD2 3.940 . 3.940 2.261 1.947 2.566 . 0 0 "[ . 1 . 2]" 1 354 1 17 VAL MG1 1 18 PRO HD3 4.360 . 4.360 3.356 3.162 3.617 . 0 0 "[ . 1 . 2]" 1 355 1 17 VAL MG1 1 18 PRO QG 4.670 . 4.670 3.691 2.738 4.141 . 0 0 "[ . 1 . 2]" 1 356 1 17 VAL MG1 1 21 VAL H 5.260 . 5.260 3.741 3.467 4.174 . 0 0 "[ . 1 . 2]" 1 357 1 17 VAL MG1 1 21 VAL HB 5.500 . 5.500 3.850 3.149 4.180 . 0 0 "[ . 1 . 2]" 1 358 1 17 VAL MG1 1 21 VAL MG2 3.460 . 3.460 1.975 1.759 2.173 . 0 0 "[ . 1 . 2]" 1 359 1 17 VAL MG1 1 22 ARG H 4.720 . 4.720 3.225 2.879 3.855 . 0 0 "[ . 1 . 2]" 1 360 1 17 VAL MG1 1 22 ARG HA 3.730 . 3.730 2.377 1.968 2.674 . 0 0 "[ . 1 . 2]" 1 361 1 17 VAL MG1 1 22 ARG HB2 5.500 . 5.500 3.035 2.414 4.631 . 0 0 "[ . 1 . 2]" 1 362 1 17 VAL MG1 1 22 ARG QB 4.660 . 4.660 2.938 2.388 4.042 . 0 0 "[ . 1 . 2]" 1 363 1 17 VAL MG1 1 22 ARG HB3 5.500 . 5.500 4.189 3.789 4.850 . 0 0 "[ . 1 . 2]" 1 364 1 17 VAL MG1 1 22 ARG QD 5.500 . 5.500 4.388 2.576 5.068 . 0 0 "[ . 1 . 2]" 1 365 1 17 VAL MG1 1 22 ARG HE 5.500 . 5.500 4.331 3.082 5.541 0.041 16 0 "[ . 1 . 2]" 1 366 1 17 VAL MG1 1 22 ARG QG 4.620 . 4.620 3.358 2.542 4.164 . 0 0 "[ . 1 . 2]" 1 367 1 17 VAL MG1 1 25 VAL HB 5.370 . 5.370 3.196 2.485 3.993 . 0 0 "[ . 1 . 2]" 1 368 1 17 VAL MG1 1 46 PHE HZ 5.350 . 5.350 4.788 4.045 5.361 0.011 7 0 "[ . 1 . 2]" 1 369 1 17 VAL MG2 1 18 PRO HD2 4.690 . 4.690 3.767 3.310 4.053 . 0 0 "[ . 1 . 2]" 1 370 1 17 VAL MG2 1 18 PRO HD3 5.450 . 5.450 4.063 3.842 4.513 . 0 0 "[ . 1 . 2]" 1 371 1 17 VAL MG2 1 21 VAL MG2 4.110 . 4.110 3.976 3.697 4.132 0.022 13 0 "[ . 1 . 2]" 1 372 1 17 VAL MG2 1 22 ARG HA 4.720 . 4.720 4.155 3.677 4.543 . 0 0 "[ . 1 . 2]" 1 373 1 17 VAL MG2 1 22 ARG HE 5.490 . 5.490 4.888 4.246 5.549 0.059 20 0 "[ . 1 . 2]" 1 374 1 17 VAL MG2 1 25 VAL HB 5.500 . 5.500 3.954 3.229 4.900 . 0 0 "[ . 1 . 2]" 1 375 1 17 VAL MG2 1 46 PHE QE 5.500 . 5.500 3.786 3.234 4.263 . 0 0 "[ . 1 . 2]" 1 376 1 17 VAL MG2 1 46 PHE HZ 3.850 . 3.850 2.949 2.156 3.484 . 0 0 "[ . 1 . 2]" 1 377 1 18 PRO HA 1 19 PHE H 3.530 . 3.530 2.195 2.151 2.330 . 0 0 "[ . 1 . 2]" 1 378 1 18 PRO HA 1 19 PHE HA 5.500 . 5.500 4.242 4.141 4.334 . 0 0 "[ . 1 . 2]" 1 379 1 18 PRO HA 1 19 PHE QD 5.300 . 5.300 4.652 3.520 5.502 0.202 5 0 "[ . 1 . 2]" 1 380 1 18 PRO HA 1 20 PHE H 5.430 . 5.430 4.038 3.750 4.376 . 0 0 "[ . 1 . 2]" 1 381 1 18 PRO HB2 1 20 PHE H 5.310 . 5.310 3.011 2.568 3.427 . 0 0 "[ . 1 . 2]" 1 382 1 18 PRO HB2 1 20 PHE QD 5.070 . 5.070 2.552 1.804 3.732 . 0 0 "[ . 1 . 2]" 1 383 1 18 PRO HB2 1 20 PHE QE 5.500 . 5.500 4.275 3.175 5.338 . 0 0 "[ . 1 . 2]" 1 384 1 18 PRO HB2 1 21 VAL H 4.840 . 4.840 3.191 2.675 3.672 . 0 0 "[ . 1 . 2]" 1 385 1 18 PRO HB2 1 21 VAL MG2 4.370 . 4.370 2.799 1.909 3.725 . 0 0 "[ . 1 . 2]" 1 386 1 18 PRO HB2 1 22 ARG H 5.500 . 5.500 4.562 4.025 5.163 . 0 0 "[ . 1 . 2]" 1 387 1 18 PRO HB3 1 20 PHE H 5.500 . 5.500 3.745 3.351 4.445 . 0 0 "[ . 1 . 2]" 1 388 1 18 PRO HB3 1 20 PHE QD 5.500 . 5.500 2.883 2.081 4.072 . 0 0 "[ . 1 . 2]" 1 389 1 18 PRO HB3 1 21 VAL H 5.500 . 5.500 4.753 4.022 5.312 . 0 0 "[ . 1 . 2]" 1 390 1 18 PRO HB3 1 21 VAL MG2 4.910 . 4.910 4.263 3.475 4.943 0.033 7 0 "[ . 1 . 2]" 1 391 1 18 PRO HD2 1 21 VAL MG1 5.500 . 5.500 4.885 4.464 5.463 . 0 0 "[ . 1 . 2]" 1 392 1 18 PRO HD2 1 21 VAL MG2 4.310 . 4.310 2.803 2.313 3.352 . 0 0 "[ . 1 . 2]" 1 393 1 18 PRO HD3 1 21 VAL MG2 5.020 . 5.020 4.158 3.714 4.540 . 0 0 "[ . 1 . 2]" 1 394 1 18 PRO QG 1 19 PHE H 5.500 . 5.500 4.592 4.474 4.793 . 0 0 "[ . 1 . 2]" 1 395 1 18 PRO QG 1 21 VAL H 4.920 . 4.920 4.481 3.300 4.947 0.027 11 0 "[ . 1 . 2]" 1 396 1 18 PRO QG 1 21 VAL MG2 4.420 . 4.420 3.040 1.720 3.793 . 0 0 "[ . 1 . 2]" 1 397 1 19 PHE H 1 19 PHE HB2 4.040 . 4.040 2.799 2.200 3.620 . 0 0 "[ . 1 . 2]" 1 398 1 19 PHE H 1 19 PHE HB3 4.040 . 4.040 2.718 2.438 3.531 . 0 0 "[ . 1 . 2]" 1 399 1 19 PHE H 1 19 PHE QD 5.320 . 5.320 3.147 1.979 4.056 . 0 0 "[ . 1 . 2]" 1 400 1 19 PHE H 1 20 PHE H 5.250 . 5.250 2.741 2.556 2.877 . 0 0 "[ . 1 . 2]" 1 401 1 19 PHE HA 1 19 PHE QD 4.420 . 4.420 3.021 2.275 3.744 . 0 0 "[ . 1 . 2]" 1 402 1 19 PHE HA 1 20 PHE HA 5.500 . 5.500 4.840 4.641 4.901 . 0 0 "[ . 1 . 2]" 1 403 1 19 PHE HA 1 21 VAL H 5.500 . 5.500 4.249 3.768 4.819 . 0 0 "[ . 1 . 2]" 1 404 1 19 PHE HA 1 22 ARG H 4.600 . 4.600 3.137 2.850 3.503 . 0 0 "[ . 1 . 2]" 1 405 1 19 PHE HA 1 22 ARG HB2 4.210 . 4.210 2.336 1.837 2.756 . 0 0 "[ . 1 . 2]" 1 406 1 19 PHE HA 1 22 ARG HB3 4.210 . 4.210 2.381 1.706 4.105 . 0 0 "[ . 1 . 2]" 1 407 1 19 PHE HA 1 22 ARG QD 5.090 . 5.090 2.895 2.158 4.449 . 0 0 "[ . 1 . 2]" 1 408 1 19 PHE HA 1 22 ARG HE 5.300 . 5.300 4.044 2.796 5.346 0.046 14 0 "[ . 1 . 2]" 1 409 1 19 PHE HA 1 22 ARG QG 5.500 . 5.500 3.562 1.614 4.123 . 0 0 "[ . 1 . 2]" 1 410 1 19 PHE QB 1 20 PHE H 4.300 . 4.300 3.186 2.573 3.762 . 0 0 "[ . 1 . 2]" 1 411 1 19 PHE QD 1 20 PHE HA 5.500 . 5.500 3.977 3.225 5.579 0.079 17 0 "[ . 1 . 2]" 1 412 1 19 PHE QD 1 22 ARG QB 5.340 . 5.340 3.953 3.034 5.352 0.012 1 0 "[ . 1 . 2]" 1 413 1 19 PHE QD 1 22 ARG QD 5.500 . 5.500 3.773 1.850 5.507 0.007 3 0 "[ . 1 . 2]" 1 414 1 20 PHE H 1 20 PHE QB 3.640 . 3.640 2.578 2.477 2.737 . 0 0 "[ . 1 . 2]" 1 415 1 20 PHE H 1 20 PHE QD 4.870 . 4.870 2.529 2.269 2.705 . 0 0 "[ . 1 . 2]" 1 416 1 20 PHE H 1 21 VAL H 3.940 . 3.940 2.756 2.484 2.977 . 0 0 "[ . 1 . 2]" 1 417 1 20 PHE H 1 21 VAL MG1 5.500 . 5.500 4.524 4.342 4.791 . 0 0 "[ . 1 . 2]" 1 418 1 20 PHE H 1 21 VAL MG2 5.500 . 5.500 4.030 3.473 4.234 . 0 0 "[ . 1 . 2]" 1 419 1 20 PHE HA 1 20 PHE QD 4.270 . 4.270 2.764 2.594 3.718 . 0 0 "[ . 1 . 2]" 1 420 1 20 PHE HA 1 20 PHE QE 5.500 . 5.500 4.698 4.537 5.632 0.132 1 0 "[ . 1 . 2]" 1 421 1 20 PHE HA 1 21 VAL MG1 5.500 . 5.500 4.471 4.215 4.707 . 0 0 "[ . 1 . 2]" 1 422 1 20 PHE HA 1 21 VAL MG2 5.500 . 5.500 5.063 4.783 5.156 . 0 0 "[ . 1 . 2]" 1 423 1 20 PHE HA 1 22 ARG H 5.380 . 5.380 4.295 4.025 4.475 . 0 0 "[ . 1 . 2]" 1 424 1 20 PHE QB 1 21 VAL MG1 4.610 . 4.610 2.597 2.381 3.773 . 0 0 "[ . 1 . 2]" 1 425 1 20 PHE QB 1 22 ARG H 5.340 . 5.340 4.313 3.962 5.057 . 0 0 "[ . 1 . 2]" 1 426 1 20 PHE HB2 1 21 VAL H 5.500 . 5.500 2.572 2.034 4.179 . 0 0 "[ . 1 . 2]" 1 427 1 20 PHE HB2 1 21 VAL MG1 5.290 . 5.290 2.706 2.476 3.913 . 0 0 "[ . 1 . 2]" 1 428 1 20 PHE HB2 1 21 VAL MG2 5.500 . 5.500 3.447 3.172 4.767 . 0 0 "[ . 1 . 2]" 1 429 1 20 PHE HB3 1 21 VAL H 5.500 . 5.500 3.682 3.028 4.389 . 0 0 "[ . 1 . 2]" 1 430 1 20 PHE HB3 1 21 VAL MG1 5.290 . 5.290 3.367 2.909 4.947 . 0 0 "[ . 1 . 2]" 1 431 1 20 PHE HB3 1 21 VAL MG2 5.500 . 5.500 4.668 4.360 5.121 . 0 0 "[ . 1 . 2]" 1 432 1 20 PHE QD 1 21 VAL MG1 4.150 . 4.150 4.097 2.047 4.260 0.110 15 0 "[ . 1 . 2]" 1 433 1 21 VAL H 1 21 VAL MG2 3.680 . 3.680 2.039 1.939 2.125 . 0 0 "[ . 1 . 2]" 1 434 1 21 VAL H 1 22 ARG H 3.200 . 3.200 2.159 1.959 2.383 . 0 0 "[ . 1 . 2]" 1 435 1 21 VAL H 1 22 ARG HA 5.500 . 5.500 4.539 4.263 4.905 . 0 0 "[ . 1 . 2]" 1 436 1 21 VAL H 1 22 ARG HB2 5.500 . 5.500 4.195 3.875 4.604 . 0 0 "[ . 1 . 2]" 1 437 1 21 VAL H 1 22 ARG HB3 5.500 . 5.500 4.692 4.244 5.571 0.071 6 0 "[ . 1 . 2]" 1 438 1 21 VAL HA 1 21 VAL MG1 3.720 . 3.720 2.337 2.199 2.374 . 0 0 "[ . 1 . 2]" 1 439 1 21 VAL HA 1 24 LYS H 5.010 . 5.010 3.142 2.962 3.309 . 0 0 "[ . 1 . 2]" 1 440 1 21 VAL HA 1 24 LYS QB 4.480 . 4.480 2.808 2.311 3.370 . 0 0 "[ . 1 . 2]" 1 441 1 21 VAL HB 1 24 LYS H 5.360 . 5.360 4.467 4.013 4.945 . 0 0 "[ . 1 . 2]" 1 442 1 21 VAL HB 1 25 VAL MG2 4.520 . 4.520 3.061 2.558 3.431 . 0 0 "[ . 1 . 2]" 1 443 1 21 VAL MG1 1 22 ARG H 5.500 . 5.500 4.162 4.032 4.337 . 0 0 "[ . 1 . 2]" 1 444 1 21 VAL MG1 1 22 ARG HA 5.500 . 5.500 5.526 5.466 5.570 0.070 6 0 "[ . 1 . 2]" 1 445 1 21 VAL MG1 1 24 LYS QB 5.500 . 5.500 3.669 3.196 4.145 . 0 0 "[ . 1 . 2]" 1 446 1 21 VAL MG1 1 24 LYS QE 5.290 . 5.290 4.415 2.828 5.331 0.041 3 0 "[ . 1 . 2]" 1 447 1 21 VAL MG2 1 22 ARG H 4.420 . 4.420 2.945 2.517 3.432 . 0 0 "[ . 1 . 2]" 1 448 1 21 VAL MG2 1 22 ARG HA 5.260 . 5.260 3.378 3.193 3.814 . 0 0 "[ . 1 . 2]" 1 449 1 21 VAL MG2 1 22 ARG QB 5.340 . 5.340 3.918 3.505 4.660 . 0 0 "[ . 1 . 2]" 1 450 1 21 VAL MG2 1 23 LYS H 5.500 . 5.500 4.872 4.667 5.151 . 0 0 "[ . 1 . 2]" 1 451 1 21 VAL MG2 1 24 LYS QB 4.980 . 4.980 4.176 3.655 4.593 . 0 0 "[ . 1 . 2]" 1 452 1 21 VAL MG2 1 25 VAL H 5.190 . 5.190 4.363 3.895 5.155 . 0 0 "[ . 1 . 2]" 1 453 1 22 ARG H 1 22 ARG HB2 3.580 . 3.580 2.458 2.310 2.641 . 0 0 "[ . 1 . 2]" 1 454 1 22 ARG H 1 22 ARG HB3 3.580 . 3.580 2.690 2.393 3.604 0.024 6 0 "[ . 1 . 2]" 1 455 1 22 ARG H 1 22 ARG QD 5.500 . 5.500 4.463 3.976 4.749 . 0 0 "[ . 1 . 2]" 1 456 1 22 ARG H 1 22 ARG QG 4.900 . 4.900 3.813 2.387 4.031 . 0 0 "[ . 1 . 2]" 1 457 1 22 ARG H 1 23 LYS H 4.640 . 4.640 2.715 2.625 2.836 . 0 0 "[ . 1 . 2]" 1 458 1 22 ARG HA 1 22 ARG QG 3.810 . 3.810 2.482 2.301 2.973 . 0 0 "[ . 1 . 2]" 1 459 1 22 ARG HA 1 24 LYS H 5.500 . 5.500 4.281 4.075 4.519 . 0 0 "[ . 1 . 2]" 1 460 1 22 ARG HA 1 25 VAL H 4.650 . 4.650 3.497 3.298 3.909 . 0 0 "[ . 1 . 2]" 1 461 1 22 ARG HA 1 25 VAL HB 4.180 . 4.180 2.954 2.515 3.475 . 0 0 "[ . 1 . 2]" 1 462 1 22 ARG HA 1 25 VAL MG2 4.640 . 4.640 3.160 2.713 3.702 . 0 0 "[ . 1 . 2]" 1 463 1 22 ARG HA 1 26 ARG H 5.310 . 5.310 3.966 3.710 4.306 . 0 0 "[ . 1 . 2]" 1 464 1 22 ARG QB 1 22 ARG HE 4.370 . 4.370 2.992 2.041 3.978 . 0 0 "[ . 1 . 2]" 1 465 1 22 ARG QB 1 23 LYS H 4.290 . 4.290 2.535 2.355 2.699 . 0 0 "[ . 1 . 2]" 1 466 1 22 ARG QG 1 23 LYS HA 5.500 . 5.500 3.957 3.427 5.669 0.169 6 0 "[ . 1 . 2]" 1 467 1 22 ARG QG 1 26 ARG H 5.500 . 5.500 4.248 3.602 5.549 0.049 6 0 "[ . 1 . 2]" 1 468 1 23 LYS H 1 23 LYS QB 3.740 . 3.740 2.368 2.175 2.628 . 0 0 "[ . 1 . 2]" 1 469 1 23 LYS H 1 23 LYS HG2 5.500 . 5.500 3.455 1.879 4.577 . 0 0 "[ . 1 . 2]" 1 470 1 23 LYS H 1 23 LYS QG 4.700 . 4.700 2.964 1.867 4.043 . 0 0 "[ . 1 . 2]" 1 471 1 23 LYS H 1 23 LYS HG3 5.500 . 5.500 3.668 1.920 4.501 . 0 0 "[ . 1 . 2]" 1 472 1 23 LYS H 1 24 LYS H 3.950 . 3.950 2.601 2.490 2.696 . 0 0 "[ . 1 . 2]" 1 473 1 23 LYS HA 1 23 LYS QD 4.960 . 4.960 3.520 1.916 4.434 . 0 0 "[ . 1 . 2]" 1 474 1 23 LYS HA 1 23 LYS QE 5.500 . 5.500 4.164 2.582 5.594 0.094 2 0 "[ . 1 . 2]" 1 475 1 23 LYS HA 1 26 ARG H 4.590 . 4.590 3.536 3.217 3.805 . 0 0 "[ . 1 . 2]" 1 476 1 23 LYS HA 1 26 ARG QD 5.340 . 5.340 3.659 3.138 4.966 . 0 0 "[ . 1 . 2]" 1 477 1 23 LYS QB 1 24 LYS H 3.820 . 3.820 2.766 2.473 3.627 . 0 0 "[ . 1 . 2]" 1 478 1 23 LYS QG 1 24 LYS H 5.340 . 5.340 3.665 2.135 4.214 . 0 0 "[ . 1 . 2]" 1 479 1 24 LYS H 1 24 LYS QB 3.290 . 3.290 2.277 2.198 2.493 . 0 0 "[ . 1 . 2]" 1 480 1 24 LYS H 1 24 LYS HG2 5.500 . 5.500 4.186 2.251 4.595 . 0 0 "[ . 1 . 2]" 1 481 1 24 LYS H 1 24 LYS HG3 5.500 . 5.500 4.050 2.171 4.545 . 0 0 "[ . 1 . 2]" 1 482 1 24 LYS H 1 25 VAL H 3.750 . 3.750 2.644 2.419 2.848 . 0 0 "[ . 1 . 2]" 1 483 1 24 LYS H 1 25 VAL HB 5.500 . 5.500 4.868 4.643 5.090 . 0 0 "[ . 1 . 2]" 1 484 1 24 LYS H 1 25 VAL MG2 5.100 . 5.100 4.066 3.784 4.390 . 0 0 "[ . 1 . 2]" 1 485 1 24 LYS H 1 26 ARG H 5.310 . 5.310 4.050 3.816 4.261 . 0 0 "[ . 1 . 2]" 1 486 1 24 LYS HA 1 25 VAL MG2 5.500 . 5.500 4.938 4.794 5.040 . 0 0 "[ . 1 . 2]" 1 487 1 24 LYS QB 1 25 VAL H 3.750 . 3.750 2.427 2.268 2.749 . 0 0 "[ . 1 . 2]" 1 488 1 24 LYS QB 1 25 VAL HA 5.500 . 5.500 4.037 3.758 4.215 . 0 0 "[ . 1 . 2]" 1 489 1 24 LYS QB 1 25 VAL MG2 4.510 . 4.510 3.039 2.790 3.380 . 0 0 "[ . 1 . 2]" 1 490 1 24 LYS QB 1 28 ASN QD 5.340 . 5.340 4.374 2.693 5.463 0.123 2 0 "[ . 1 . 2]" 1 491 1 24 LYS QG 1 28 ASN QD 4.760 . 4.760 3.577 1.965 4.822 0.062 19 0 "[ . 1 . 2]" 1 492 1 25 VAL H 1 25 VAL HB 3.450 . 3.450 2.559 2.477 2.605 . 0 0 "[ . 1 . 2]" 1 493 1 25 VAL H 1 25 VAL MG2 3.440 . 3.440 2.068 1.957 2.257 . 0 0 "[ . 1 . 2]" 1 494 1 25 VAL H 1 26 ARG H 3.810 . 3.810 2.668 2.524 2.808 . 0 0 "[ . 1 . 2]" 1 495 1 25 VAL HA 1 25 VAL MG2 3.520 . 3.520 2.385 2.339 2.430 . 0 0 "[ . 1 . 2]" 1 496 1 25 VAL HA 1 27 LYS H 5.500 . 5.500 4.486 4.204 4.754 . 0 0 "[ . 1 . 2]" 1 497 1 25 VAL HA 1 28 ASN H 4.660 . 4.660 3.367 3.148 3.690 . 0 0 "[ . 1 . 2]" 1 498 1 25 VAL HA 1 28 ASN HB2 4.690 . 4.690 2.703 2.157 3.317 . 0 0 "[ . 1 . 2]" 1 499 1 25 VAL HA 1 28 ASN QB 3.940 . 3.940 2.516 2.144 2.797 . 0 0 "[ . 1 . 2]" 1 500 1 25 VAL HA 1 28 ASN HB3 4.690 . 4.690 3.668 2.273 4.482 . 0 0 "[ . 1 . 2]" 1 501 1 25 VAL HA 1 28 ASN QD 4.950 . 4.950 3.082 2.046 4.377 . 0 0 "[ . 1 . 2]" 1 502 1 25 VAL HA 1 29 THR H 5.310 . 5.310 4.148 3.752 4.527 . 0 0 "[ . 1 . 2]" 1 503 1 25 VAL HB 1 26 ARG H 3.950 . 3.950 2.597 2.475 2.731 . 0 0 "[ . 1 . 2]" 1 504 1 25 VAL MG1 1 26 ARG H 4.590 . 4.590 3.454 3.352 3.541 . 0 0 "[ . 1 . 2]" 1 505 1 25 VAL MG1 1 28 ASN H 5.500 . 5.500 4.471 4.307 4.709 . 0 0 "[ . 1 . 2]" 1 506 1 25 VAL MG1 1 28 ASN QB 5.340 . 5.340 3.430 3.174 3.762 . 0 0 "[ . 1 . 2]" 1 507 1 25 VAL MG1 1 28 ASN QD 5.340 . 5.340 4.275 3.019 5.418 0.078 8 0 "[ . 1 . 2]" 1 508 1 25 VAL MG1 1 46 PHE QE 5.190 . 5.190 2.529 1.929 3.172 . 0 0 "[ . 1 . 2]" 1 509 1 25 VAL MG1 1 46 PHE HZ 4.320 . 4.320 2.894 2.199 3.373 . 0 0 "[ . 1 . 2]" 1 510 1 25 VAL MG2 1 26 ARG H 4.950 . 4.950 3.802 3.713 3.941 . 0 0 "[ . 1 . 2]" 1 511 1 25 VAL MG2 1 28 ASN QD 5.340 . 5.340 4.088 3.004 5.337 . 0 0 "[ . 1 . 2]" 1 512 1 26 ARG H 1 26 ARG HB2 3.670 . 3.670 2.383 2.106 2.560 . 0 0 "[ . 1 . 2]" 1 513 1 26 ARG H 1 26 ARG HB3 3.670 . 3.670 2.768 2.465 3.563 . 0 0 "[ . 1 . 2]" 1 514 1 26 ARG H 1 26 ARG QD 5.340 . 5.340 4.422 4.212 4.787 . 0 0 "[ . 1 . 2]" 1 515 1 26 ARG H 1 26 ARG QG 5.030 . 5.030 3.816 2.743 3.984 . 0 0 "[ . 1 . 2]" 1 516 1 26 ARG H 1 27 LYS H 3.950 . 3.950 2.757 2.671 2.861 . 0 0 "[ . 1 . 2]" 1 517 1 26 ARG H 1 28 ASN QB 5.340 . 5.340 4.839 4.594 5.139 . 0 0 "[ . 1 . 2]" 1 518 1 26 ARG HA 1 26 ARG HD2 5.500 . 5.500 4.413 3.812 4.744 . 0 0 "[ . 1 . 2]" 1 519 1 26 ARG HA 1 26 ARG QD 4.830 . 4.830 3.966 2.838 4.258 . 0 0 "[ . 1 . 2]" 1 520 1 26 ARG HA 1 26 ARG HD3 5.500 . 5.500 4.554 2.928 4.898 . 0 0 "[ . 1 . 2]" 1 521 1 26 ARG HA 1 29 THR H 4.710 . 4.710 3.536 3.261 3.900 . 0 0 "[ . 1 . 2]" 1 522 1 26 ARG HA 1 29 THR HG1 4.270 . 4.270 2.429 1.810 3.080 . 0 0 "[ . 1 . 2]" 1 523 1 26 ARG QB 1 27 LYS H 3.880 . 3.880 2.477 2.234 2.780 . 0 0 "[ . 1 . 2]" 1 524 1 26 ARG HB2 1 27 LYS H 4.610 . 4.610 3.624 2.766 3.979 . 0 0 "[ . 1 . 2]" 1 525 1 26 ARG HB3 1 27 LYS H 4.610 . 4.610 2.575 2.261 3.388 . 0 0 "[ . 1 . 2]" 1 526 1 26 ARG QG 1 27 LYS H 4.580 . 4.580 3.813 3.365 4.426 . 0 0 "[ . 1 . 2]" 1 527 1 26 ARG QG 1 30 ASP H 5.340 . 5.340 4.431 3.668 5.370 0.030 10 0 "[ . 1 . 2]" 1 528 1 27 LYS H 1 27 LYS QB 3.430 . 3.430 2.238 2.166 2.292 . 0 0 "[ . 1 . 2]" 1 529 1 27 LYS H 1 27 LYS HG2 5.500 . 5.500 4.461 4.341 4.610 . 0 0 "[ . 1 . 2]" 1 530 1 27 LYS H 1 27 LYS HG3 5.500 . 5.500 4.452 4.338 4.521 . 0 0 "[ . 1 . 2]" 1 531 1 27 LYS H 1 28 ASN H 3.850 . 3.850 2.615 2.525 2.756 . 0 0 "[ . 1 . 2]" 1 532 1 27 LYS HA 1 27 LYS QD 4.870 . 4.870 3.918 1.971 4.256 . 0 0 "[ . 1 . 2]" 1 533 1 27 LYS HA 1 30 ASP H 5.500 . 5.500 3.352 3.058 3.593 . 0 0 "[ . 1 . 2]" 1 534 1 27 LYS HA 1 30 ASP HB2 4.650 . 4.650 2.787 2.077 3.597 . 0 0 "[ . 1 . 2]" 1 535 1 27 LYS HA 1 30 ASP QB 3.790 . 3.790 2.381 2.027 2.980 . 0 0 "[ . 1 . 2]" 1 536 1 27 LYS HA 1 30 ASP HB3 4.650 . 4.650 3.084 2.105 4.648 . 0 0 "[ . 1 . 2]" 1 537 1 27 LYS QB 1 27 LYS QE 4.190 . 4.190 3.011 1.841 3.654 . 0 0 "[ . 1 . 2]" 1 538 1 27 LYS QB 1 28 ASN H 3.710 . 3.710 2.752 2.542 2.922 . 0 0 "[ . 1 . 2]" 1 539 1 27 LYS QB 1 29 THR H 5.290 . 5.290 4.886 4.690 5.069 . 0 0 "[ . 1 . 2]" 1 540 1 27 LYS QE 1 27 LYS QG 3.340 . 3.340 2.270 2.116 2.708 . 0 0 "[ . 1 . 2]" 1 541 1 27 LYS HG2 1 31 ASN HD21 5.500 . 5.500 3.260 2.680 4.208 . 0 0 "[ . 1 . 2]" 1 542 1 27 LYS HG2 1 31 ASN HD22 5.500 . 5.500 3.257 2.583 4.294 . 0 0 "[ . 1 . 2]" 1 543 1 27 LYS HG3 1 31 ASN HD21 5.500 . 5.500 3.839 2.529 5.282 . 0 0 "[ . 1 . 2]" 1 544 1 27 LYS HG3 1 31 ASN HD22 5.500 . 5.500 3.541 2.718 5.182 . 0 0 "[ . 1 . 2]" 1 545 1 28 ASN H 1 28 ASN HB2 4.150 . 4.150 2.354 2.152 2.603 . 0 0 "[ . 1 . 2]" 1 546 1 28 ASN H 1 28 ASN QB 3.410 . 3.410 2.274 2.106 2.419 . 0 0 "[ . 1 . 2]" 1 547 1 28 ASN H 1 28 ASN HB3 4.150 . 4.150 3.274 2.460 3.614 . 0 0 "[ . 1 . 2]" 1 548 1 28 ASN H 1 28 ASN QD 5.340 . 5.340 3.583 2.270 4.482 . 0 0 "[ . 1 . 2]" 1 549 1 28 ASN H 1 29 THR H 3.950 . 3.950 2.592 2.401 2.746 . 0 0 "[ . 1 . 2]" 1 550 1 28 ASN H 1 29 THR HG1 5.450 . 5.450 4.139 3.694 4.863 . 0 0 "[ . 1 . 2]" 1 551 1 28 ASN H 1 29 THR MG 5.500 . 5.500 5.261 4.493 5.724 0.224 15 0 "[ . 1 . 2]" 1 552 1 28 ASN HA 1 31 ASN H 4.640 . 4.640 3.574 3.338 3.740 . 0 0 "[ . 1 . 2]" 1 553 1 28 ASN HA 1 31 ASN QB 3.200 . 3.200 2.967 2.642 3.221 0.021 16 0 "[ . 1 . 2]" 1 554 1 28 ASN HA 1 31 ASN HD21 4.640 . 4.640 3.463 2.809 4.662 0.022 19 0 "[ . 1 . 2]" 1 555 1 28 ASN HA 1 31 ASN HD22 5.500 . 5.500 4.814 3.837 5.381 . 0 0 "[ . 1 . 2]" 1 556 1 28 ASN HA 1 32 TYR H 5.500 . 5.500 4.368 4.150 4.547 . 0 0 "[ . 1 . 2]" 1 557 1 28 ASN QB 1 29 THR H 3.990 . 3.990 2.586 2.352 2.870 . 0 0 "[ . 1 . 2]" 1 558 1 28 ASN QB 1 29 THR MG 5.340 . 5.340 4.107 3.394 4.960 . 0 0 "[ . 1 . 2]" 1 559 1 28 ASN QB 1 53 LEU MD1 4.640 . 4.640 2.515 1.483 3.791 . 0 0 "[ . 1 . 2]" 1 560 1 28 ASN QB 1 53 LEU MD2 4.360 . 4.360 3.314 1.802 4.366 0.006 2 0 "[ . 1 . 2]" 1 561 1 28 ASN HB2 1 53 LEU MD1 5.500 . 5.500 3.464 2.154 4.806 . 0 0 "[ . 1 . 2]" 1 562 1 28 ASN HB2 1 53 LEU MD2 5.020 . 5.020 4.508 2.984 5.077 0.057 19 0 "[ . 1 . 2]" 1 563 1 28 ASN HB3 1 53 LEU MD1 5.500 . 5.500 2.635 1.491 3.969 . 0 0 "[ . 1 . 2]" 1 564 1 28 ASN HB3 1 53 LEU MD2 5.020 . 5.020 3.445 1.809 4.762 . 0 0 "[ . 1 . 2]" 1 565 1 28 ASN QD 1 53 LEU MD1 5.340 . 5.340 3.374 1.951 4.939 . 0 0 "[ . 1 . 2]" 1 566 1 28 ASN QD 1 53 LEU MD2 5.340 . 5.340 3.702 1.997 5.170 . 0 0 "[ . 1 . 2]" 1 567 1 29 THR H 1 29 THR HG1 3.200 . 3.200 2.226 1.957 2.757 . 0 0 "[ . 1 . 2]" 1 568 1 29 THR H 1 29 THR MG 4.400 . 4.400 3.184 2.468 3.741 . 0 0 "[ . 1 . 2]" 1 569 1 29 THR H 1 30 ASP H 3.670 . 3.670 2.563 2.445 2.661 . 0 0 "[ . 1 . 2]" 1 570 1 29 THR H 1 31 ASN H 5.500 . 5.500 4.185 3.895 4.385 . 0 0 "[ . 1 . 2]" 1 571 1 29 THR H 1 49 ALA MB 5.500 . 5.500 4.767 4.214 5.151 . 0 0 "[ . 1 . 2]" 1 572 1 29 THR HA 1 29 THR MG 3.530 . 3.530 2.195 2.144 2.282 . 0 0 "[ . 1 . 2]" 1 573 1 29 THR HA 1 41 VAL MG2 5.500 . 5.500 5.057 4.690 5.363 . 0 0 "[ . 1 . 2]" 1 574 1 29 THR HB 1 30 ASP H 4.980 . 4.980 3.117 2.707 3.635 . 0 0 "[ . 1 . 2]" 1 575 1 29 THR HB 1 30 ASP QB 5.340 . 5.340 4.745 4.228 5.273 . 0 0 "[ . 1 . 2]" 1 576 1 29 THR HB 1 32 TYR H 4.660 . 4.660 4.801 4.756 4.873 0.213 19 0 "[ . 1 . 2]" 1 577 1 29 THR HB 1 32 TYR QB 4.050 . 4.050 4.054 3.838 4.163 0.113 19 0 "[ . 1 . 2]" 1 578 1 29 THR HB 1 32 TYR QD 5.010 . 5.010 4.899 4.539 5.071 0.061 19 0 "[ . 1 . 2]" 1 579 1 29 THR HB 1 33 ALA MB 4.930 . 4.930 4.263 3.544 4.810 . 0 0 "[ . 1 . 2]" 1 580 1 29 THR HB 1 49 ALA MB 5.450 . 5.450 4.182 3.297 4.583 . 0 0 "[ . 1 . 2]" 1 581 1 29 THR HG1 1 30 ASP H 3.970 . 3.970 2.876 1.839 3.862 . 0 0 "[ . 1 . 2]" 1 582 1 29 THR HG1 1 41 VAL MG2 5.500 . 5.500 4.818 3.747 5.516 0.016 19 0 "[ . 1 . 2]" 1 583 1 29 THR MG 1 30 ASP H 4.580 . 4.580 4.099 3.914 4.247 . 0 0 "[ . 1 . 2]" 1 584 1 29 THR MG 1 30 ASP HA 5.420 . 5.420 4.950 4.209 5.465 0.045 13 0 "[ . 1 . 2]" 1 585 1 29 THR MG 1 32 TYR H 5.500 . 5.500 4.450 3.969 4.853 . 0 0 "[ . 1 . 2]" 1 586 1 29 THR MG 1 32 TYR QD 4.760 . 4.760 3.186 2.408 4.229 . 0 0 "[ . 1 . 2]" 1 587 1 29 THR MG 1 41 VAL MG1 3.450 . 3.450 2.840 2.298 3.384 . 0 0 "[ . 1 . 2]" 1 588 1 29 THR MG 1 41 VAL MG2 3.990 . 3.990 3.762 2.872 4.101 0.111 1 0 "[ . 1 . 2]" 1 589 1 29 THR MG 1 46 PHE H 5.500 . 5.500 4.564 3.947 5.460 . 0 0 "[ . 1 . 2]" 1 590 1 29 THR MG 1 46 PHE HA 3.900 . 3.900 2.638 2.057 3.296 . 0 0 "[ . 1 . 2]" 1 591 1 29 THR MG 1 46 PHE HB2 5.400 . 5.400 3.742 3.042 4.788 . 0 0 "[ . 1 . 2]" 1 592 1 29 THR MG 1 46 PHE QD 3.530 . 3.530 2.282 1.453 3.146 . 0 0 "[ . 1 . 2]" 1 593 1 30 ASP H 1 30 ASP HB2 4.120 . 4.120 2.490 2.127 2.681 . 0 0 "[ . 1 . 2]" 1 594 1 30 ASP H 1 30 ASP QB 3.390 . 3.390 2.283 2.107 2.455 . 0 0 "[ . 1 . 2]" 1 595 1 30 ASP H 1 30 ASP HB3 4.120 . 4.120 2.934 2.377 3.624 . 0 0 "[ . 1 . 2]" 1 596 1 30 ASP H 1 31 ASN H 3.870 . 3.870 2.747 2.642 2.839 . 0 0 "[ . 1 . 2]" 1 597 1 30 ASP H 1 32 TYR H 4.860 . 4.860 3.808 3.657 4.012 . 0 0 "[ . 1 . 2]" 1 598 1 30 ASP H 1 33 ALA MB 5.500 . 5.500 4.977 4.814 5.298 . 0 0 "[ . 1 . 2]" 1 599 1 30 ASP HA 1 32 TYR H 5.500 . 5.500 4.199 4.034 4.440 . 0 0 "[ . 1 . 2]" 1 600 1 30 ASP HA 1 33 ALA H 4.590 . 4.590 3.755 3.510 4.019 . 0 0 "[ . 1 . 2]" 1 601 1 30 ASP HA 1 33 ALA MB 4.110 . 4.110 3.216 2.899 3.570 . 0 0 "[ . 1 . 2]" 1 602 1 30 ASP HA 1 34 ARG H 5.160 . 5.160 4.268 3.712 4.802 . 0 0 "[ . 1 . 2]" 1 603 1 30 ASP HA 1 41 VAL MG2 4.350 . 4.350 3.347 2.888 4.320 . 0 0 "[ . 1 . 2]" 1 604 1 30 ASP QB 1 31 ASN H 3.940 . 3.940 2.477 2.241 2.658 . 0 0 "[ . 1 . 2]" 1 605 1 30 ASP HB2 1 31 ASN H 4.530 . 4.530 3.337 2.431 3.956 . 0 0 "[ . 1 . 2]" 1 606 1 30 ASP HB3 1 31 ASN H 4.530 . 4.530 2.827 2.260 3.580 . 0 0 "[ . 1 . 2]" 1 607 1 31 ASN H 1 31 ASN HB2 4.080 . 4.080 2.319 2.255 2.444 . 0 0 "[ . 1 . 2]" 1 608 1 31 ASN H 1 31 ASN QB 3.290 . 3.290 2.291 2.231 2.406 . 0 0 "[ . 1 . 2]" 1 609 1 31 ASN H 1 31 ASN HB3 4.080 . 4.080 3.568 3.541 3.593 . 0 0 "[ . 1 . 2]" 1 610 1 31 ASN H 1 32 TYR H 3.980 . 3.980 2.523 2.423 2.670 . 0 0 "[ . 1 . 2]" 1 611 1 31 ASN H 1 33 ALA H 5.500 . 5.500 4.355 4.208 4.513 . 0 0 "[ . 1 . 2]" 1 612 1 31 ASN HA 1 34 ARG H 4.740 . 4.740 3.584 3.294 4.046 . 0 0 "[ . 1 . 2]" 1 613 1 31 ASN HA 1 34 ARG QB 4.400 . 4.400 2.725 2.070 3.462 . 0 0 "[ . 1 . 2]" 1 614 1 31 ASN HA 1 34 ARG HD2 5.280 . 5.280 3.661 2.389 5.406 0.126 3 0 "[ . 1 . 2]" 1 615 1 31 ASN HA 1 34 ARG HD3 5.280 . 5.280 3.673 1.898 5.289 0.009 18 0 "[ . 1 . 2]" 1 616 1 31 ASN HA 1 34 ARG QG 5.500 . 5.500 3.717 2.489 5.489 . 0 0 "[ . 1 . 2]" 1 617 1 31 ASN HA 1 35 GLU H 5.500 . 5.500 4.292 3.851 4.875 . 0 0 "[ . 1 . 2]" 1 618 1 31 ASN QB 1 32 TYR H 4.290 . 4.290 2.914 2.691 3.015 . 0 0 "[ . 1 . 2]" 1 619 1 31 ASN QB 1 34 ARG QB 5.100 . 5.100 4.283 3.790 4.955 . 0 0 "[ . 1 . 2]" 1 620 1 31 ASN HB2 1 32 TYR H 5.110 . 5.110 3.035 2.758 3.155 . 0 0 "[ . 1 . 2]" 1 621 1 31 ASN HB3 1 32 TYR H 5.110 . 5.110 3.763 3.613 3.884 . 0 0 "[ . 1 . 2]" 1 622 1 32 TYR H 1 32 TYR HB2 4.060 . 4.060 2.690 2.604 2.838 . 0 0 "[ . 1 . 2]" 1 623 1 32 TYR H 1 32 TYR QB 3.450 . 3.450 2.276 2.252 2.305 . 0 0 "[ . 1 . 2]" 1 624 1 32 TYR H 1 32 TYR HB3 4.060 . 4.060 2.461 2.373 2.522 . 0 0 "[ . 1 . 2]" 1 625 1 32 TYR H 1 32 TYR QD 4.230 . 4.230 4.207 4.161 4.230 0.000 4 0 "[ . 1 . 2]" 1 626 1 32 TYR H 1 33 ALA H 3.820 . 3.820 2.594 2.532 2.763 . 0 0 "[ . 1 . 2]" 1 627 1 32 TYR H 1 33 ALA MB 4.990 . 4.990 4.265 4.194 4.412 . 0 0 "[ . 1 . 2]" 1 628 1 32 TYR HA 1 32 TYR QD 3.370 . 3.370 2.637 2.394 2.814 . 0 0 "[ . 1 . 2]" 1 629 1 32 TYR HA 1 35 GLU H 4.590 . 4.590 3.422 3.186 3.730 . 0 0 "[ . 1 . 2]" 1 630 1 32 TYR HA 1 35 GLU HB2 4.940 . 4.940 3.199 2.718 3.553 . 0 0 "[ . 1 . 2]" 1 631 1 32 TYR HA 1 35 GLU QB 4.320 . 4.320 2.676 2.273 3.392 . 0 0 "[ . 1 . 2]" 1 632 1 32 TYR HA 1 35 GLU HB3 4.940 . 4.940 2.938 2.415 4.953 0.013 18 0 "[ . 1 . 2]" 1 633 1 32 TYR HA 1 35 GLU QG 5.230 . 5.230 4.374 3.057 4.972 . 0 0 "[ . 1 . 2]" 1 634 1 32 TYR QB 1 33 ALA H 3.620 . 3.620 2.477 2.343 2.698 . 0 0 "[ . 1 . 2]" 1 635 1 32 TYR QB 1 33 ALA MB 5.200 . 5.200 3.798 3.630 3.957 . 0 0 "[ . 1 . 2]" 1 636 1 32 TYR QB 1 34 ARG H 5.340 . 5.340 4.678 4.449 4.830 . 0 0 "[ . 1 . 2]" 1 637 1 32 TYR QB 1 49 ALA MB 4.360 . 4.360 3.034 2.715 3.510 . 0 0 "[ . 1 . 2]" 1 638 1 32 TYR QB 1 53 LEU MD1 4.850 . 4.850 3.499 1.844 4.680 . 0 0 "[ . 1 . 2]" 1 639 1 32 TYR HB2 1 49 ALA MB 5.130 . 5.130 3.596 3.127 4.217 . 0 0 "[ . 1 . 2]" 1 640 1 32 TYR HB2 1 53 LEU MD1 5.500 . 5.500 3.688 1.855 5.067 . 0 0 "[ . 1 . 2]" 1 641 1 32 TYR HB2 1 53 LEU MD2 5.500 . 5.500 3.410 1.720 4.354 . 0 0 "[ . 1 . 2]" 1 642 1 32 TYR HB3 1 49 ALA MB 5.130 . 5.130 3.274 2.929 3.785 . 0 0 "[ . 1 . 2]" 1 643 1 32 TYR HB3 1 53 LEU MD1 5.500 . 5.500 4.424 2.558 5.569 0.069 19 0 "[ . 1 . 2]" 1 644 1 32 TYR HB3 1 53 LEU MD2 5.500 . 5.500 4.771 3.353 5.554 0.054 7 0 "[ . 1 . 2]" 1 645 1 32 TYR QD 1 33 ALA H 4.130 . 4.130 3.389 2.778 3.825 . 0 0 "[ . 1 . 2]" 1 646 1 32 TYR QD 1 33 ALA HA 4.400 . 4.400 3.517 3.287 3.784 . 0 0 "[ . 1 . 2]" 1 647 1 32 TYR QD 1 33 ALA MB 5.500 . 5.500 3.573 2.856 4.088 . 0 0 "[ . 1 . 2]" 1 648 1 32 TYR QD 1 35 GLU QB 4.830 . 4.830 3.822 3.116 4.435 . 0 0 "[ . 1 . 2]" 1 649 1 32 TYR QD 1 36 ILE MD 4.300 . 4.300 3.315 2.956 3.684 . 0 0 "[ . 1 . 2]" 1 650 1 32 TYR QD 1 36 ILE QG 5.340 . 5.340 4.113 3.814 4.395 . 0 0 "[ . 1 . 2]" 1 651 1 32 TYR QD 1 36 ILE MG 4.640 . 4.640 3.851 3.445 4.283 . 0 0 "[ . 1 . 2]" 1 652 1 32 TYR QD 1 45 VAL MG1 3.540 . 3.540 2.588 2.118 3.192 . 0 0 "[ . 1 . 2]" 1 653 1 32 TYR QD 1 48 LYS QB 5.340 . 5.340 4.382 3.725 4.776 . 0 0 "[ . 1 . 2]" 1 654 1 32 TYR QD 1 49 ALA H 5.330 . 5.330 4.253 3.871 4.582 . 0 0 "[ . 1 . 2]" 1 655 1 32 TYR QD 1 49 ALA HA 3.850 . 3.850 3.537 3.121 3.838 . 0 0 "[ . 1 . 2]" 1 656 1 32 TYR QD 1 49 ALA MB 3.350 . 3.350 2.599 2.374 3.064 . 0 0 "[ . 1 . 2]" 1 657 1 32 TYR QE 1 33 ALA HA 5.500 . 5.500 4.571 3.885 4.875 . 0 0 "[ . 1 . 2]" 1 658 1 32 TYR QE 1 36 ILE MD 3.380 . 3.380 2.599 2.256 2.997 . 0 0 "[ . 1 . 2]" 1 659 1 32 TYR QE 1 36 ILE MG 3.790 . 3.790 3.242 2.814 3.798 0.008 7 0 "[ . 1 . 2]" 1 660 1 32 TYR QE 1 45 VAL HA 4.460 . 4.460 3.463 2.605 4.312 . 0 0 "[ . 1 . 2]" 1 661 1 32 TYR QE 1 45 VAL MG1 3.850 . 3.850 2.803 2.309 3.521 . 0 0 "[ . 1 . 2]" 1 662 1 32 TYR QE 1 48 LYS HB2 3.820 . 3.820 2.757 2.076 3.888 0.068 4 0 "[ . 1 . 2]" 1 663 1 32 TYR QE 1 48 LYS QB 3.330 . 3.330 2.476 1.906 2.806 . 0 0 "[ . 1 . 2]" 1 664 1 32 TYR QE 1 48 LYS HB3 3.820 . 3.820 3.144 1.953 3.855 0.035 20 0 "[ . 1 . 2]" 1 665 1 32 TYR QE 1 48 LYS QG 4.690 . 4.690 4.339 3.086 4.720 0.030 5 0 "[ . 1 . 2]" 1 666 1 32 TYR QE 1 49 ALA H 4.720 . 4.720 3.388 3.028 3.700 . 0 0 "[ . 1 . 2]" 1 667 1 32 TYR QE 1 49 ALA HA 3.940 . 3.940 3.310 3.061 3.883 . 0 0 "[ . 1 . 2]" 1 668 1 32 TYR QE 1 49 ALA MB 4.610 . 4.610 3.246 2.973 3.723 . 0 0 "[ . 1 . 2]" 1 669 1 32 TYR QE 1 52 HIS HB2 5.440 . 5.440 2.986 2.160 3.750 . 0 0 "[ . 1 . 2]" 1 670 1 32 TYR QE 1 52 HIS QB 4.720 . 4.720 2.677 2.020 3.135 . 0 0 "[ . 1 . 2]" 1 671 1 32 TYR QE 1 52 HIS HB3 5.440 . 5.440 3.054 2.428 3.523 . 0 0 "[ . 1 . 2]" 1 672 1 33 ALA H 1 33 ALA MB 3.370 . 3.370 2.232 2.221 2.248 . 0 0 "[ . 1 . 2]" 1 673 1 33 ALA H 1 34 ARG H 3.990 . 3.990 2.654 2.564 2.753 . 0 0 "[ . 1 . 2]" 1 674 1 33 ALA H 1 41 VAL MG2 5.320 . 5.320 4.091 3.912 4.579 . 0 0 "[ . 1 . 2]" 1 675 1 33 ALA H 1 45 VAL MG1 5.500 . 5.500 3.976 3.616 4.397 . 0 0 "[ . 1 . 2]" 1 676 1 33 ALA HA 1 36 ILE H 4.820 . 4.820 3.383 3.225 3.595 . 0 0 "[ . 1 . 2]" 1 677 1 33 ALA HA 1 36 ILE MD 4.220 . 4.220 2.477 2.288 2.906 . 0 0 "[ . 1 . 2]" 1 678 1 33 ALA HA 1 36 ILE HG12 4.380 . 4.380 2.128 1.844 2.601 . 0 0 "[ . 1 . 2]" 1 679 1 33 ALA HA 1 36 ILE QG 3.800 . 3.800 2.080 1.826 2.502 . 0 0 "[ . 1 . 2]" 1 680 1 33 ALA HA 1 36 ILE HG13 4.380 . 4.380 2.980 2.720 3.253 . 0 0 "[ . 1 . 2]" 1 681 1 33 ALA HA 1 36 ILE MG 5.180 . 5.180 3.997 3.640 4.473 . 0 0 "[ . 1 . 2]" 1 682 1 33 ALA HA 1 38 GLU H 4.760 . 4.760 3.598 3.332 3.951 . 0 0 "[ . 1 . 2]" 1 683 1 33 ALA HA 1 38 GLU HB2 5.020 . 5.020 3.321 2.442 4.784 . 0 0 "[ . 1 . 2]" 1 684 1 33 ALA HA 1 38 GLU HB3 5.100 . 5.100 4.094 2.644 4.961 . 0 0 "[ . 1 . 2]" 1 685 1 33 ALA HA 1 38 GLU HG2 5.500 . 5.500 4.601 3.786 5.535 0.035 10 0 "[ . 1 . 2]" 1 686 1 33 ALA HA 1 38 GLU HG3 5.500 . 5.500 4.558 3.630 5.336 . 0 0 "[ . 1 . 2]" 1 687 1 33 ALA MB 1 34 ARG H 3.850 . 3.850 2.587 2.419 2.728 . 0 0 "[ . 1 . 2]" 1 688 1 33 ALA MB 1 35 GLU H 5.500 . 5.500 4.375 4.176 4.471 . 0 0 "[ . 1 . 2]" 1 689 1 33 ALA MB 1 36 ILE H 5.500 . 5.500 4.577 4.394 4.721 . 0 0 "[ . 1 . 2]" 1 690 1 33 ALA MB 1 36 ILE QG 4.230 . 4.230 3.455 3.184 3.839 . 0 0 "[ . 1 . 2]" 1 691 1 33 ALA MB 1 37 GLY H 5.500 . 5.500 4.745 4.429 5.145 . 0 0 "[ . 1 . 2]" 1 692 1 33 ALA MB 1 38 GLU HB3 4.620 . 4.620 3.070 1.567 4.197 . 0 0 "[ . 1 . 2]" 1 693 1 33 ALA MB 1 39 PRO HA 5.140 . 5.140 4.151 3.592 4.487 . 0 0 "[ . 1 . 2]" 1 694 1 33 ALA MB 1 41 VAL H 5.500 . 5.500 4.644 4.382 5.117 . 0 0 "[ . 1 . 2]" 1 695 1 33 ALA MB 1 41 VAL HA 5.190 . 5.190 3.614 3.299 4.184 . 0 0 "[ . 1 . 2]" 1 696 1 33 ALA MB 1 41 VAL MG2 3.630 . 3.630 2.167 1.956 2.540 . 0 0 "[ . 1 . 2]" 1 697 1 33 ALA MB 1 45 VAL MG1 3.720 . 3.720 2.313 2.013 2.900 . 0 0 "[ . 1 . 2]" 1 698 1 34 ARG H 1 34 ARG QB 3.240 . 3.240 2.346 2.043 2.587 . 0 0 "[ . 1 . 2]" 1 699 1 34 ARG H 1 34 ARG QD 5.340 . 5.340 3.835 3.067 4.617 . 0 0 "[ . 1 . 2]" 1 700 1 34 ARG H 1 34 ARG QG 4.390 . 4.390 2.783 1.817 4.038 . 0 0 "[ . 1 . 2]" 1 701 1 34 ARG H 1 36 ILE H 5.070 . 5.070 4.254 4.141 4.441 . 0 0 "[ . 1 . 2]" 1 702 1 34 ARG H 1 36 ILE QG 5.340 . 5.340 4.435 4.323 4.711 . 0 0 "[ . 1 . 2]" 1 703 1 34 ARG HA 1 38 GLU H 5.500 . 5.500 3.623 3.229 4.496 . 0 0 "[ . 1 . 2]" 1 704 1 34 ARG QG 1 35 GLU HA 5.500 . 5.500 5.223 3.483 5.696 0.196 15 0 "[ . 1 . 2]" 1 705 1 35 GLU H 1 35 GLU HB2 3.780 . 3.780 2.520 2.356 2.610 . 0 0 "[ . 1 . 2]" 1 706 1 35 GLU H 1 35 GLU QB 3.320 . 3.320 2.249 2.197 2.423 . 0 0 "[ . 1 . 2]" 1 707 1 35 GLU H 1 35 GLU HB3 3.780 . 3.780 2.573 2.433 3.604 . 0 0 "[ . 1 . 2]" 1 708 1 35 GLU H 1 35 GLU HG2 4.940 . 4.940 4.360 2.328 4.606 . 0 0 "[ . 1 . 2]" 1 709 1 35 GLU H 1 35 GLU QG 4.180 . 4.180 3.895 2.305 4.047 . 0 0 "[ . 1 . 2]" 1 710 1 35 GLU H 1 35 GLU HG3 4.940 . 4.940 4.431 3.704 4.544 . 0 0 "[ . 1 . 2]" 1 711 1 35 GLU H 1 36 ILE H 3.840 . 3.840 2.589 2.483 2.766 . 0 0 "[ . 1 . 2]" 1 712 1 35 GLU H 1 36 ILE MG 5.500 . 5.500 4.335 4.163 4.560 . 0 0 "[ . 1 . 2]" 1 713 1 35 GLU HA 1 36 ILE MG 5.470 . 5.470 4.784 4.648 4.915 . 0 0 "[ . 1 . 2]" 1 714 1 35 GLU QB 1 36 ILE H 3.980 . 3.980 2.597 2.411 2.852 . 0 0 "[ . 1 . 2]" 1 715 1 35 GLU QB 1 36 ILE QG 4.870 . 4.870 3.757 3.563 4.017 . 0 0 "[ . 1 . 2]" 1 716 1 35 GLU QB 1 36 ILE MG 4.190 . 4.190 2.915 2.698 3.110 . 0 0 "[ . 1 . 2]" 1 717 1 35 GLU HB2 1 36 ILE H 4.550 . 4.550 3.826 2.932 3.999 . 0 0 "[ . 1 . 2]" 1 718 1 35 GLU HB3 1 36 ILE H 4.550 . 4.550 2.689 2.442 3.898 . 0 0 "[ . 1 . 2]" 1 719 1 36 ILE H 1 36 ILE MD 4.580 . 4.580 3.636 3.559 3.712 . 0 0 "[ . 1 . 2]" 1 720 1 36 ILE H 1 36 ILE HG12 4.360 . 4.360 1.961 1.852 2.092 . 0 0 "[ . 1 . 2]" 1 721 1 36 ILE H 1 36 ILE QG 3.590 . 3.590 1.936 1.833 2.063 . 0 0 "[ . 1 . 2]" 1 722 1 36 ILE H 1 36 ILE HG13 4.360 . 4.360 3.000 2.891 3.132 . 0 0 "[ . 1 . 2]" 1 723 1 36 ILE H 1 36 ILE MG 3.880 . 3.880 2.516 2.332 2.727 . 0 0 "[ . 1 . 2]" 1 724 1 36 ILE H 1 38 GLU H 5.300 . 5.300 3.794 3.491 4.093 . 0 0 "[ . 1 . 2]" 1 725 1 36 ILE HA 1 36 ILE MG 3.550 . 3.550 2.307 2.265 2.358 . 0 0 "[ . 1 . 2]" 1 726 1 36 ILE HB 1 36 ILE MD 3.520 . 3.520 2.443 2.414 2.474 . 0 0 "[ . 1 . 2]" 1 727 1 36 ILE HB 1 37 GLY H 5.150 . 5.150 4.164 4.016 4.331 . 0 0 "[ . 1 . 2]" 1 728 1 36 ILE MD 1 36 ILE MG 3.480 . 3.480 1.912 1.883 1.948 . 0 0 "[ . 1 . 2]" 1 729 1 36 ILE MD 1 38 GLU H 4.900 . 4.900 3.934 3.552 4.205 . 0 0 "[ . 1 . 2]" 1 730 1 36 ILE MD 1 38 GLU HA 5.500 . 5.500 4.962 4.636 5.264 . 0 0 "[ . 1 . 2]" 1 731 1 36 ILE MD 1 38 GLU HB2 5.350 . 5.350 2.906 2.445 3.248 . 0 0 "[ . 1 . 2]" 1 732 1 36 ILE MD 1 38 GLU QG 3.700 . 3.700 2.580 2.169 3.332 . 0 0 "[ . 1 . 2]" 1 733 1 36 ILE MD 1 48 LYS HD2 5.500 . 5.500 4.007 2.773 5.555 0.055 20 0 "[ . 1 . 2]" 1 734 1 36 ILE MD 1 48 LYS HD3 5.500 . 5.500 4.205 2.820 5.533 0.033 7 0 "[ . 1 . 2]" 1 735 1 36 ILE MD 1 48 LYS QE 5.130 . 5.130 4.159 2.612 5.223 0.093 5 0 "[ . 1 . 2]" 1 736 1 36 ILE QG 1 37 GLY H 4.780 . 4.780 2.822 2.551 3.238 . 0 0 "[ . 1 . 2]" 1 737 1 36 ILE QG 1 38 GLU H 3.980 . 3.980 2.485 1.972 2.814 . 0 0 "[ . 1 . 2]" 1 738 1 36 ILE QG 1 38 GLU QG 4.390 . 4.390 2.603 1.793 4.108 . 0 0 "[ . 1 . 2]" 1 739 1 36 ILE MG 1 37 GLY H 5.500 . 5.500 4.177 4.067 4.288 . 0 0 "[ . 1 . 2]" 1 740 1 37 GLY H 1 38 GLU H 3.710 . 3.710 2.385 2.128 2.749 . 0 0 "[ . 1 . 2]" 1 741 1 37 GLY H 1 38 GLU HB2 5.500 . 5.500 4.619 4.323 4.950 . 0 0 "[ . 1 . 2]" 1 742 1 38 GLU H 1 38 GLU HB2 3.650 . 3.650 2.676 2.435 3.201 . 0 0 "[ . 1 . 2]" 1 743 1 38 GLU H 1 38 GLU HB3 4.110 . 4.110 3.377 2.574 3.814 . 0 0 "[ . 1 . 2]" 1 744 1 38 GLU H 1 38 GLU QG 4.050 . 4.050 3.124 2.110 4.135 0.085 8 0 "[ . 1 . 2]" 1 745 1 38 GLU HA 1 39 PRO HD2 3.670 . 3.670 2.426 2.083 2.723 . 0 0 "[ . 1 . 2]" 1 746 1 38 GLU HA 1 39 PRO HD3 3.580 . 3.580 2.045 1.743 2.384 . 0 0 "[ . 1 . 2]" 1 747 1 38 GLU HA 1 40 VAL H 4.490 . 4.490 3.476 3.279 3.687 . 0 0 "[ . 1 . 2]" 1 748 1 38 GLU HB2 1 40 VAL H 4.970 . 4.970 4.360 3.905 4.982 0.012 17 0 "[ . 1 . 2]" 1 749 1 38 GLU HB2 1 45 VAL MG1 5.500 . 5.500 3.597 2.796 4.898 . 0 0 "[ . 1 . 2]" 1 750 1 38 GLU HB3 1 40 VAL H 5.280 . 5.280 3.347 2.592 4.408 . 0 0 "[ . 1 . 2]" 1 751 1 38 GLU QG 1 40 VAL H 5.340 . 5.340 4.067 2.044 5.131 . 0 0 "[ . 1 . 2]" 1 752 1 38 GLU QG 1 45 VAL MG1 5.340 . 5.340 3.395 2.460 4.382 . 0 0 "[ . 1 . 2]" 1 753 1 38 GLU QG 1 45 VAL MG2 4.270 . 4.270 2.512 1.661 4.236 . 0 0 "[ . 1 . 2]" 1 754 1 38 GLU HG2 1 45 VAL MG2 4.880 . 4.880 3.449 1.671 4.817 . 0 0 "[ . 1 . 2]" 1 755 1 38 GLU HG3 1 45 VAL MG2 4.880 . 4.880 2.905 1.920 4.775 . 0 0 "[ . 1 . 2]" 1 756 1 39 PRO QB 1 40 VAL MG2 4.800 . 4.800 2.822 2.415 3.131 . 0 0 "[ . 1 . 2]" 1 757 1 39 PRO HD2 1 40 VAL H 4.200 . 4.200 2.383 2.079 2.606 . 0 0 "[ . 1 . 2]" 1 758 1 39 PRO HD3 1 40 VAL H 4.780 . 4.780 3.647 3.406 3.801 . 0 0 "[ . 1 . 2]" 1 759 1 39 PRO QG 1 40 VAL H 4.500 . 4.500 3.379 2.579 4.055 . 0 0 "[ . 1 . 2]" 1 760 1 39 PRO QG 1 40 VAL MG2 3.900 . 3.900 2.905 2.030 3.785 . 0 0 "[ . 1 . 2]" 1 761 1 39 PRO HG2 1 40 VAL H 5.240 . 5.240 3.558 2.610 4.426 . 0 0 "[ . 1 . 2]" 1 762 1 39 PRO HG3 1 40 VAL H 5.240 . 5.240 4.385 3.988 4.707 . 0 0 "[ . 1 . 2]" 1 763 1 40 VAL H 1 40 VAL HB 3.860 . 3.860 2.661 2.595 2.727 . 0 0 "[ . 1 . 2]" 1 764 1 40 VAL H 1 40 VAL MG2 4.200 . 4.200 2.630 2.495 2.728 . 0 0 "[ . 1 . 2]" 1 765 1 40 VAL H 1 41 VAL H 5.500 . 5.500 4.280 4.144 4.363 . 0 0 "[ . 1 . 2]" 1 766 1 40 VAL H 1 41 VAL MG2 5.500 . 5.500 4.588 4.383 4.850 . 0 0 "[ . 1 . 2]" 1 767 1 40 VAL H 1 45 VAL MG2 5.260 . 5.260 4.604 4.354 4.919 . 0 0 "[ . 1 . 2]" 1 768 1 40 VAL HA 1 40 VAL MG2 3.660 . 3.660 2.422 2.390 2.459 . 0 0 "[ . 1 . 2]" 1 769 1 40 VAL HA 1 41 VAL H 3.360 . 3.360 2.146 2.129 2.165 . 0 0 "[ . 1 . 2]" 1 770 1 40 VAL HA 1 41 VAL HB 5.180 . 5.180 4.681 4.621 4.724 . 0 0 "[ . 1 . 2]" 1 771 1 40 VAL HA 1 41 VAL MG2 5.330 . 5.330 3.633 3.521 3.834 . 0 0 "[ . 1 . 2]" 1 772 1 40 VAL HA 1 42 THR MG 5.380 . 5.380 4.757 4.531 5.064 . 0 0 "[ . 1 . 2]" 1 773 1 40 VAL HB 1 41 VAL H 5.020 . 5.020 4.230 4.118 4.352 . 0 0 "[ . 1 . 2]" 1 774 1 40 VAL HB 1 42 THR MG 4.430 . 4.430 3.373 3.065 3.747 . 0 0 "[ . 1 . 2]" 1 775 1 40 VAL MG1 1 41 VAL H 3.940 . 3.940 2.839 2.647 3.151 . 0 0 "[ . 1 . 2]" 1 776 1 40 VAL MG1 1 42 THR H 5.490 . 5.490 3.701 3.463 3.908 . 0 0 "[ . 1 . 2]" 1 777 1 40 VAL MG1 1 42 THR MG 3.610 . 3.610 2.211 1.932 2.624 . 0 0 "[ . 1 . 2]" 1 778 1 40 VAL MG2 1 41 VAL H 4.990 . 4.990 4.120 4.077 4.237 . 0 0 "[ . 1 . 2]" 1 779 1 40 VAL MG2 1 42 THR MG 4.550 . 4.550 4.258 4.045 4.557 0.007 7 0 "[ . 1 . 2]" 1 780 1 41 VAL H 1 41 VAL HB 3.900 . 3.900 2.565 2.495 2.624 . 0 0 "[ . 1 . 2]" 1 781 1 41 VAL H 1 41 VAL MG2 3.830 . 3.830 2.328 2.139 2.550 . 0 0 "[ . 1 . 2]" 1 782 1 41 VAL H 1 42 THR H 5.500 . 5.500 4.190 4.068 4.296 . 0 0 "[ . 1 . 2]" 1 783 1 41 VAL HA 1 41 VAL MG1 3.690 . 3.690 2.376 2.345 2.429 . 0 0 "[ . 1 . 2]" 1 784 1 41 VAL HA 1 41 VAL MG2 3.740 . 3.740 2.418 2.363 2.452 . 0 0 "[ . 1 . 2]" 1 785 1 41 VAL HA 1 42 THR H 3.300 . 3.300 2.160 2.125 2.207 . 0 0 "[ . 1 . 2]" 1 786 1 41 VAL HA 1 42 THR HA 5.500 . 5.500 4.420 4.401 4.447 . 0 0 "[ . 1 . 2]" 1 787 1 41 VAL HA 1 42 THR MG 5.000 . 5.000 4.023 3.856 4.263 . 0 0 "[ . 1 . 2]" 1 788 1 41 VAL HA 1 45 VAL H 5.500 . 5.500 4.694 4.324 4.978 . 0 0 "[ . 1 . 2]" 1 789 1 41 VAL HA 1 45 VAL HB 4.110 . 4.110 2.601 2.236 2.867 . 0 0 "[ . 1 . 2]" 1 790 1 41 VAL HA 1 45 VAL MG1 4.090 . 4.090 2.611 2.268 2.881 . 0 0 "[ . 1 . 2]" 1 791 1 41 VAL HA 1 45 VAL MG2 4.270 . 4.270 2.517 2.058 2.995 . 0 0 "[ . 1 . 2]" 1 792 1 41 VAL HB 1 42 THR H 5.500 . 5.500 4.388 4.331 4.427 . 0 0 "[ . 1 . 2]" 1 793 1 41 VAL MG1 1 42 THR H 4.440 . 4.440 3.241 3.066 3.388 . 0 0 "[ . 1 . 2]" 1 794 1 41 VAL MG1 1 42 THR HA 5.290 . 5.290 3.987 3.786 4.159 . 0 0 "[ . 1 . 2]" 1 795 1 41 VAL MG1 1 45 VAL H 5.500 . 5.500 4.428 4.060 4.691 . 0 0 "[ . 1 . 2]" 1 796 1 41 VAL MG1 1 45 VAL HB 4.240 . 4.240 2.477 2.067 2.775 . 0 0 "[ . 1 . 2]" 1 797 1 41 VAL MG1 1 45 VAL MG1 3.940 . 3.940 2.382 2.146 2.597 . 0 0 "[ . 1 . 2]" 1 798 1 41 VAL MG1 1 45 VAL MG2 5.090 . 5.090 3.568 3.148 3.882 . 0 0 "[ . 1 . 2]" 1 799 1 41 VAL MG1 1 46 PHE H 4.420 . 4.420 3.280 3.031 3.560 . 0 0 "[ . 1 . 2]" 1 800 1 41 VAL MG1 1 46 PHE HA 4.630 . 4.630 3.508 3.017 4.048 . 0 0 "[ . 1 . 2]" 1 801 1 41 VAL MG1 1 46 PHE HB2 4.190 . 4.190 2.850 2.191 3.482 . 0 0 "[ . 1 . 2]" 1 802 1 41 VAL MG1 1 46 PHE HB3 5.010 . 5.010 4.229 3.621 4.790 . 0 0 "[ . 1 . 2]" 1 803 1 41 VAL MG1 1 46 PHE QD 4.530 . 4.530 3.219 2.796 4.017 . 0 0 "[ . 1 . 2]" 1 804 1 41 VAL MG2 1 42 THR H 5.350 . 5.350 4.221 4.142 4.278 . 0 0 "[ . 1 . 2]" 1 805 1 41 VAL MG2 1 45 VAL MG1 4.010 . 4.010 2.720 2.285 3.081 . 0 0 "[ . 1 . 2]" 1 806 1 41 VAL MG2 1 45 VAL MG2 5.010 . 5.010 3.881 3.551 4.333 . 0 0 "[ . 1 . 2]" 1 807 1 42 THR H 1 42 THR MG 3.850 . 3.850 2.625 2.421 2.844 . 0 0 "[ . 1 . 2]" 1 808 1 42 THR H 1 43 ALA H 5.500 . 5.500 4.490 4.441 4.560 . 0 0 "[ . 1 . 2]" 1 809 1 42 THR H 1 45 VAL H 4.370 . 4.370 3.153 2.810 3.532 . 0 0 "[ . 1 . 2]" 1 810 1 42 THR H 1 45 VAL HA 5.500 . 5.500 4.801 4.534 5.043 . 0 0 "[ . 1 . 2]" 1 811 1 42 THR H 1 45 VAL HB 3.430 . 3.430 2.314 2.052 2.676 . 0 0 "[ . 1 . 2]" 1 812 1 42 THR H 1 45 VAL MG1 4.500 . 4.500 3.549 3.321 3.692 . 0 0 "[ . 1 . 2]" 1 813 1 42 THR H 1 45 VAL MG2 3.700 . 3.700 2.152 1.856 2.384 . 0 0 "[ . 1 . 2]" 1 814 1 42 THR H 1 46 PHE H 5.000 . 5.000 4.112 3.838 4.544 . 0 0 "[ . 1 . 2]" 1 815 1 42 THR HA 1 45 VAL H 5.290 . 5.290 4.608 4.458 4.799 . 0 0 "[ . 1 . 2]" 1 816 1 42 THR HA 1 45 VAL MG2 5.340 . 5.340 4.425 4.163 4.586 . 0 0 "[ . 1 . 2]" 1 817 1 42 THR HB 1 43 ALA H 3.260 . 3.260 2.075 1.893 2.266 . 0 0 "[ . 1 . 2]" 1 818 1 42 THR HB 1 44 ASP H 3.550 . 3.550 2.723 2.534 3.137 . 0 0 "[ . 1 . 2]" 1 819 1 42 THR HB 1 45 VAL H 5.500 . 5.500 3.868 3.691 4.101 . 0 0 "[ . 1 . 2]" 1 820 1 42 THR HB 1 45 VAL MG2 5.160 . 5.160 4.103 3.963 4.312 . 0 0 "[ . 1 . 2]" 1 821 1 42 THR HG1 1 44 ASP H 5.100 . 5.100 3.593 2.411 4.553 . 0 0 "[ . 1 . 2]" 1 822 1 42 THR HG1 1 45 VAL H 4.940 . 4.940 3.149 2.715 3.691 . 0 0 "[ . 1 . 2]" 1 823 1 42 THR HG1 1 45 VAL MG2 5.130 . 5.130 2.416 2.118 2.982 . 0 0 "[ . 1 . 2]" 1 824 1 42 THR MG 1 43 ALA H 4.580 . 4.580 3.507 3.346 3.680 . 0 0 "[ . 1 . 2]" 1 825 1 42 THR MG 1 44 ASP H 5.450 . 5.450 4.192 4.050 4.624 . 0 0 "[ . 1 . 2]" 1 826 1 42 THR MG 1 45 VAL H 5.500 . 5.500 4.306 3.955 4.687 . 0 0 "[ . 1 . 2]" 1 827 1 42 THR MG 1 45 VAL HB 5.500 . 5.500 4.576 4.146 4.912 . 0 0 "[ . 1 . 2]" 1 828 1 43 ALA H 1 43 ALA MB 3.280 . 3.280 2.235 2.218 2.251 . 0 0 "[ . 1 . 2]" 1 829 1 43 ALA H 1 44 ASP H 4.070 . 4.070 2.656 2.545 2.864 . 0 0 "[ . 1 . 2]" 1 830 1 43 ALA H 1 45 VAL H 5.500 . 5.500 4.300 4.115 4.448 . 0 0 "[ . 1 . 2]" 1 831 1 43 ALA HA 1 46 PHE H 5.010 . 5.010 3.501 3.317 3.728 . 0 0 "[ . 1 . 2]" 1 832 1 43 ALA HA 1 46 PHE HB2 4.660 . 4.660 3.530 2.983 4.135 . 0 0 "[ . 1 . 2]" 1 833 1 43 ALA HA 1 46 PHE HB3 4.100 . 4.100 2.841 2.497 3.135 . 0 0 "[ . 1 . 2]" 1 834 1 43 ALA HA 1 47 ARG H 5.500 . 5.500 4.001 3.636 4.357 . 0 0 "[ . 1 . 2]" 1 835 1 43 ALA MB 1 44 ASP H 3.790 . 3.790 2.617 2.415 2.711 . 0 0 "[ . 1 . 2]" 1 836 1 43 ALA MB 1 46 PHE HB3 5.500 . 5.500 4.181 3.889 4.577 . 0 0 "[ . 1 . 2]" 1 837 1 43 ALA MB 1 47 ARG QD 5.500 . 5.500 4.774 4.118 5.541 0.041 12 0 "[ . 1 . 2]" 1 838 1 44 ASP H 1 44 ASP HB2 4.080 . 4.080 2.565 2.332 2.822 . 0 0 "[ . 1 . 2]" 1 839 1 44 ASP H 1 44 ASP QB 3.410 . 3.410 2.308 2.155 2.720 . 0 0 "[ . 1 . 2]" 1 840 1 44 ASP H 1 44 ASP HB3 4.080 . 4.080 2.772 2.238 3.603 . 0 0 "[ . 1 . 2]" 1 841 1 44 ASP H 1 45 VAL H 3.960 . 3.960 2.688 2.549 2.831 . 0 0 "[ . 1 . 2]" 1 842 1 44 ASP H 1 45 VAL HB 5.500 . 5.500 4.897 4.738 5.041 . 0 0 "[ . 1 . 2]" 1 843 1 44 ASP H 1 45 VAL MG2 5.080 . 5.080 4.079 3.864 4.259 . 0 0 "[ . 1 . 2]" 1 844 1 44 ASP HA 1 47 ARG H 4.650 . 4.650 3.544 3.285 3.880 . 0 0 "[ . 1 . 2]" 1 845 1 44 ASP HA 1 47 ARG QB 4.100 . 4.100 2.706 2.104 3.153 . 0 0 "[ . 1 . 2]" 1 846 1 44 ASP HA 1 47 ARG QD 4.720 . 4.720 3.700 2.109 4.838 0.118 17 0 "[ . 1 . 2]" 1 847 1 44 ASP HA 1 48 LYS H 5.500 . 5.500 4.140 3.890 4.556 . 0 0 "[ . 1 . 2]" 1 848 1 44 ASP QB 1 45 VAL MG2 5.270 . 5.270 3.071 2.810 3.267 . 0 0 "[ . 1 . 2]" 1 849 1 44 ASP HB2 1 45 VAL H 4.850 . 4.850 3.483 2.256 3.913 . 0 0 "[ . 1 . 2]" 1 850 1 44 ASP HB3 1 45 VAL H 4.850 . 4.850 2.763 2.294 3.892 . 0 0 "[ . 1 . 2]" 1 851 1 45 VAL H 1 45 VAL HB 3.600 . 3.600 2.553 2.502 2.615 . 0 0 "[ . 1 . 2]" 1 852 1 45 VAL H 1 45 VAL MG1 4.670 . 4.670 3.770 3.760 3.777 . 0 0 "[ . 1 . 2]" 1 853 1 45 VAL H 1 45 VAL MG2 3.550 . 3.550 2.047 1.917 2.165 . 0 0 "[ . 1 . 2]" 1 854 1 45 VAL H 1 46 PHE H 3.840 . 3.840 2.691 2.618 2.793 . 0 0 "[ . 1 . 2]" 1 855 1 45 VAL H 1 46 PHE HB3 5.500 . 5.500 5.014 4.823 5.142 . 0 0 "[ . 1 . 2]" 1 856 1 45 VAL H 1 47 ARG H 5.280 . 5.280 4.087 3.897 4.322 . 0 0 "[ . 1 . 2]" 1 857 1 45 VAL HA 1 45 VAL MG1 3.720 . 3.720 2.408 2.375 2.448 . 0 0 "[ . 1 . 2]" 1 858 1 45 VAL HA 1 45 VAL MG2 3.590 . 3.590 2.387 2.355 2.439 . 0 0 "[ . 1 . 2]" 1 859 1 45 VAL HA 1 48 LYS H 4.680 . 4.680 3.523 3.257 3.824 . 0 0 "[ . 1 . 2]" 1 860 1 45 VAL HA 1 48 LYS QB 4.040 . 4.040 2.840 2.493 3.214 . 0 0 "[ . 1 . 2]" 1 861 1 45 VAL HA 1 48 LYS QD 5.060 . 5.060 3.236 1.737 4.214 . 0 0 "[ . 1 . 2]" 1 862 1 45 VAL HA 1 49 ALA H 5.390 . 5.390 4.158 3.901 4.670 . 0 0 "[ . 1 . 2]" 1 863 1 45 VAL HB 1 46 PHE H 3.900 . 3.900 2.576 2.473 2.736 . 0 0 "[ . 1 . 2]" 1 864 1 45 VAL MG1 1 46 PHE H 4.690 . 4.690 3.435 3.300 3.661 . 0 0 "[ . 1 . 2]" 1 865 1 45 VAL MG1 1 46 PHE HA 5.310 . 5.310 3.451 3.353 3.688 . 0 0 "[ . 1 . 2]" 1 866 1 45 VAL MG1 1 48 LYS H 5.500 . 5.500 4.747 4.548 5.014 . 0 0 "[ . 1 . 2]" 1 867 1 45 VAL MG1 1 49 ALA H 5.410 . 5.410 4.066 3.750 4.339 . 0 0 "[ . 1 . 2]" 1 868 1 45 VAL MG2 1 46 PHE H 4.910 . 4.910 3.796 3.740 3.874 . 0 0 "[ . 1 . 2]" 1 869 1 45 VAL MG2 1 47 ARG H 5.500 . 5.500 5.334 5.231 5.458 . 0 0 "[ . 1 . 2]" 1 870 1 46 PHE H 1 46 PHE HB2 3.580 . 3.580 2.448 2.305 2.614 . 0 0 "[ . 1 . 2]" 1 871 1 46 PHE H 1 46 PHE HB3 3.620 . 3.620 2.624 2.471 2.799 . 0 0 "[ . 1 . 2]" 1 872 1 46 PHE H 1 46 PHE QD 5.130 . 5.130 4.162 4.069 4.195 . 0 0 "[ . 1 . 2]" 1 873 1 46 PHE HA 1 46 PHE QD 4.000 . 4.000 2.702 2.116 3.079 . 0 0 "[ . 1 . 2]" 1 874 1 46 PHE HA 1 46 PHE QE 4.760 . 4.760 4.542 4.307 4.674 . 0 0 "[ . 1 . 2]" 1 875 1 46 PHE HA 1 49 ALA H 5.500 . 5.500 3.393 3.196 3.573 . 0 0 "[ . 1 . 2]" 1 876 1 46 PHE HA 1 49 ALA MB 3.600 . 3.600 2.515 2.217 3.006 . 0 0 "[ . 1 . 2]" 1 877 1 46 PHE HB2 1 47 ARG H 4.530 . 4.530 3.846 3.635 3.983 . 0 0 "[ . 1 . 2]" 1 878 1 46 PHE HB3 1 47 ARG H 3.830 . 3.830 2.673 2.517 2.828 . 0 0 "[ . 1 . 2]" 1 879 1 46 PHE QD 1 47 ARG H 4.870 . 4.870 3.869 3.597 4.244 . 0 0 "[ . 1 . 2]" 1 880 1 46 PHE QD 1 47 ARG HA 5.030 . 5.030 3.763 3.244 4.559 . 0 0 "[ . 1 . 2]" 1 881 1 46 PHE QD 1 49 ALA MB 5.500 . 5.500 3.772 2.799 4.392 . 0 0 "[ . 1 . 2]" 1 882 1 46 PHE QD 1 50 LYS QD 5.500 . 5.500 3.786 2.625 4.685 . 0 0 "[ . 1 . 2]" 1 883 1 46 PHE QD 1 50 LYS QE 5.500 . 5.500 4.295 2.222 5.567 0.067 1 0 "[ . 1 . 2]" 1 884 1 46 PHE QE 1 49 ALA MB 5.500 . 5.500 4.560 3.511 5.248 . 0 0 "[ . 1 . 2]" 1 885 1 46 PHE QE 1 50 LYS QD 4.810 . 4.810 3.253 2.091 4.385 . 0 0 "[ . 1 . 2]" 1 886 1 46 PHE QE 1 50 LYS QE 5.500 . 5.500 3.345 1.693 4.647 . 0 0 "[ . 1 . 2]" 1 887 1 47 ARG H 1 47 ARG QB 3.450 . 3.450 2.266 2.163 2.487 . 0 0 "[ . 1 . 2]" 1 888 1 47 ARG H 1 47 ARG QG 4.520 . 4.520 3.654 2.137 4.040 . 0 0 "[ . 1 . 2]" 1 889 1 47 ARG H 1 48 LYS H 3.760 . 3.760 2.697 2.499 2.808 . 0 0 "[ . 1 . 2]" 1 890 1 47 ARG H 1 49 ALA MB 5.320 . 5.320 4.630 4.447 4.962 . 0 0 "[ . 1 . 2]" 1 891 1 47 ARG HA 1 47 ARG QG 3.680 . 3.680 2.479 2.174 2.861 . 0 0 "[ . 1 . 2]" 1 892 1 47 ARG HA 1 49 ALA MB 5.500 . 5.500 4.759 4.481 5.149 . 0 0 "[ . 1 . 2]" 1 893 1 47 ARG HA 1 50 LYS H 5.210 . 5.210 3.614 3.028 4.341 . 0 0 "[ . 1 . 2]" 1 894 1 47 ARG HA 1 50 LYS QG 5.340 . 5.340 3.421 2.107 5.318 . 0 0 "[ . 1 . 2]" 1 895 1 47 ARG QB 1 48 LYS H 4.040 . 4.040 2.452 2.265 2.798 . 0 0 "[ . 1 . 2]" 1 896 1 48 LYS H 1 48 LYS QD 5.300 . 5.300 3.953 3.429 4.530 . 0 0 "[ . 1 . 2]" 1 897 1 48 LYS H 1 48 LYS HG2 4.650 . 4.650 3.586 3.064 4.586 . 0 0 "[ . 1 . 2]" 1 898 1 48 LYS H 1 48 LYS QG 4.060 . 4.060 2.447 2.046 3.920 . 0 0 "[ . 1 . 2]" 1 899 1 48 LYS H 1 48 LYS HG3 4.650 . 4.650 2.512 2.060 4.256 . 0 0 "[ . 1 . 2]" 1 900 1 48 LYS H 1 49 ALA H 3.700 . 3.700 2.624 2.469 2.807 . 0 0 "[ . 1 . 2]" 1 901 1 48 LYS H 1 49 ALA MB 5.500 . 5.500 4.291 4.125 4.448 . 0 0 "[ . 1 . 2]" 1 902 1 48 LYS H 1 50 LYS H 5.500 . 5.500 4.297 4.140 4.632 . 0 0 "[ . 1 . 2]" 1 903 1 48 LYS HA 1 48 LYS QE 5.500 . 5.500 4.430 3.422 5.049 . 0 0 "[ . 1 . 2]" 1 904 1 48 LYS HA 1 50 LYS H 5.250 . 5.250 4.393 3.903 4.837 . 0 0 "[ . 1 . 2]" 1 905 1 48 LYS HA 1 51 GLU H 5.500 . 5.500 3.537 3.017 4.012 . 0 0 "[ . 1 . 2]" 1 906 1 48 LYS HA 1 51 GLU QB 4.660 . 4.660 3.004 2.306 3.835 . 0 0 "[ . 1 . 2]" 1 907 1 48 LYS QB 1 48 LYS QD 3.290 . 3.290 2.209 2.089 2.399 . 0 0 "[ . 1 . 2]" 1 908 1 48 LYS QB 1 48 LYS QE 4.240 . 4.240 2.866 1.793 3.671 . 0 0 "[ . 1 . 2]" 1 909 1 48 LYS QB 1 49 ALA H 3.840 . 3.840 2.662 2.397 2.794 . 0 0 "[ . 1 . 2]" 1 910 1 48 LYS HB2 1 49 ALA H 4.580 . 4.580 2.822 2.460 3.692 . 0 0 "[ . 1 . 2]" 1 911 1 48 LYS HB3 1 49 ALA H 4.580 . 4.580 3.590 2.738 3.895 . 0 0 "[ . 1 . 2]" 1 912 1 49 ALA H 1 49 ALA MB 3.420 . 3.420 2.232 2.213 2.250 . 0 0 "[ . 1 . 2]" 1 913 1 49 ALA H 1 50 LYS H 3.850 . 3.850 2.738 2.616 2.962 . 0 0 "[ . 1 . 2]" 1 914 1 49 ALA H 1 51 GLU H 5.500 . 5.500 4.220 3.960 4.493 . 0 0 "[ . 1 . 2]" 1 915 1 49 ALA HA 1 50 LYS HA 5.500 . 5.500 4.797 4.717 4.884 . 0 0 "[ . 1 . 2]" 1 916 1 49 ALA HA 1 51 GLU H 5.430 . 5.430 4.364 4.018 4.662 . 0 0 "[ . 1 . 2]" 1 917 1 49 ALA HA 1 52 HIS H 5.220 . 5.220 3.443 3.117 3.710 . 0 0 "[ . 1 . 2]" 1 918 1 49 ALA HA 1 53 LEU H 5.410 . 5.410 3.840 3.535 4.086 . 0 0 "[ . 1 . 2]" 1 919 1 49 ALA HA 1 53 LEU MD1 5.500 . 5.500 3.925 2.874 4.518 . 0 0 "[ . 1 . 2]" 1 920 1 49 ALA MB 1 50 LYS H 3.830 . 3.830 2.488 2.253 2.819 . 0 0 "[ . 1 . 2]" 1 921 1 49 ALA MB 1 51 GLU H 5.500 . 5.500 4.495 4.264 4.678 . 0 0 "[ . 1 . 2]" 1 922 1 49 ALA MB 1 53 LEU MD1 4.920 . 4.920 2.614 1.716 3.222 . 0 0 "[ . 1 . 2]" 1 923 1 50 LYS H 1 50 LYS HB2 3.930 . 3.930 2.514 2.340 3.620 . 0 0 "[ . 1 . 2]" 1 924 1 50 LYS H 1 50 LYS QB 3.420 . 3.420 2.404 2.227 2.565 . 0 0 "[ . 1 . 2]" 1 925 1 50 LYS H 1 50 LYS HB3 3.930 . 3.930 3.439 2.531 3.610 . 0 0 "[ . 1 . 2]" 1 926 1 50 LYS H 1 50 LYS HG2 5.500 . 5.500 3.252 1.998 4.590 . 0 0 "[ . 1 . 2]" 1 927 1 50 LYS H 1 50 LYS HG3 5.500 . 5.500 2.936 1.971 4.492 . 0 0 "[ . 1 . 2]" 1 928 1 50 LYS H 1 51 GLU H 3.460 . 3.460 2.722 2.531 2.864 . 0 0 "[ . 1 . 2]" 1 929 1 50 LYS H 1 51 GLU QB 5.500 . 5.500 4.600 4.300 4.948 . 0 0 "[ . 1 . 2]" 1 930 1 50 LYS H 1 53 LEU H 5.500 . 5.500 4.709 4.518 4.842 . 0 0 "[ . 1 . 2]" 1 931 1 50 LYS HA 1 50 LYS QE 5.500 . 5.500 4.002 1.892 5.454 . 0 0 "[ . 1 . 2]" 1 932 1 50 LYS HA 1 52 HIS H 5.500 . 5.500 4.462 4.132 4.695 . 0 0 "[ . 1 . 2]" 1 933 1 50 LYS HA 1 53 LEU H 5.030 . 5.030 3.645 3.158 3.878 . 0 0 "[ . 1 . 2]" 1 934 1 50 LYS HA 1 53 LEU HB2 5.500 . 5.500 3.234 2.563 4.803 . 0 0 "[ . 1 . 2]" 1 935 1 50 LYS HA 1 53 LEU HB3 5.500 . 5.500 4.848 4.216 5.660 0.160 19 0 "[ . 1 . 2]" 1 936 1 50 LYS HA 1 53 LEU MD1 4.980 . 4.980 3.431 2.438 5.117 0.137 14 0 "[ . 1 . 2]" 1 937 1 50 LYS HA 1 54 GLY H 5.250 . 5.250 3.865 2.573 5.153 . 0 0 "[ . 1 . 2]" 1 938 1 50 LYS QB 1 51 GLU H 3.780 . 3.780 2.664 2.296 3.406 . 0 0 "[ . 1 . 2]" 1 939 1 50 LYS HB2 1 51 GLU H 4.410 . 4.410 2.882 2.328 3.757 . 0 0 "[ . 1 . 2]" 1 940 1 50 LYS HB3 1 51 GLU H 4.410 . 4.410 3.534 2.373 3.979 . 0 0 "[ . 1 . 2]" 1 941 1 50 LYS QG 1 51 GLU H 5.340 . 5.340 3.993 2.032 4.651 . 0 0 "[ . 1 . 2]" 1 942 1 51 GLU H 1 51 GLU QB 3.470 . 3.470 2.311 2.110 2.547 . 0 0 "[ . 1 . 2]" 1 943 1 51 GLU H 1 51 GLU HG2 4.680 . 4.680 3.901 2.268 4.456 . 0 0 "[ . 1 . 2]" 1 944 1 51 GLU H 1 51 GLU QG 4.000 . 4.000 3.224 1.999 3.985 . 0 0 "[ . 1 . 2]" 1 945 1 51 GLU H 1 51 GLU HG3 4.680 . 4.680 3.615 2.020 4.528 . 0 0 "[ . 1 . 2]" 1 946 1 51 GLU H 1 52 HIS H 3.820 . 3.820 2.566 2.397 2.789 . 0 0 "[ . 1 . 2]" 1 947 1 51 GLU QB 1 52 HIS H 4.250 . 4.250 2.600 2.316 2.920 . 0 0 "[ . 1 . 2]" 1 948 1 51 GLU HG2 1 52 HIS H 5.500 . 5.500 4.394 3.389 5.358 . 0 0 "[ . 1 . 2]" 1 949 1 51 GLU HG3 1 52 HIS H 5.500 . 5.500 4.625 4.059 5.204 . 0 0 "[ . 1 . 2]" 1 950 1 52 HIS H 1 52 HIS QB 3.670 . 3.670 2.251 2.217 2.295 . 0 0 "[ . 1 . 2]" 1 951 1 52 HIS H 1 53 LEU H 4.240 . 4.240 2.547 2.406 2.694 . 0 0 "[ . 1 . 2]" 1 952 1 52 HIS QB 1 53 LEU H 4.020 . 4.020 2.653 2.467 2.900 . 0 0 "[ . 1 . 2]" 1 953 1 52 HIS HD2 1 53 LEU H 5.500 . 5.500 4.172 3.591 4.506 . 0 0 "[ . 1 . 2]" 1 954 1 52 HIS HD2 1 53 LEU MD2 3.850 . 3.850 2.553 1.950 3.054 . 0 0 "[ . 1 . 2]" 1 955 1 52 HIS HD2 1 53 LEU HG 4.330 . 4.330 3.652 1.900 4.359 0.029 11 0 "[ . 1 . 2]" 1 956 1 53 LEU H 1 53 LEU QB 3.610 . 3.610 2.501 2.394 3.246 . 0 0 "[ . 1 . 2]" 1 957 1 53 LEU H 1 53 LEU MD1 5.000 . 5.000 3.648 3.212 3.839 . 0 0 "[ . 1 . 2]" 1 958 1 53 LEU H 1 53 LEU MD2 5.500 . 5.500 3.443 3.188 4.120 . 0 0 "[ . 1 . 2]" 1 959 1 53 LEU H 1 53 LEU HG 4.370 . 4.370 2.402 2.079 3.039 . 0 0 "[ . 1 . 2]" 1 960 1 53 LEU H 1 54 GLY H 4.270 . 4.270 2.585 2.278 3.858 . 0 0 "[ . 1 . 2]" 1 961 1 53 LEU HA 1 53 LEU MD2 3.590 . 3.590 2.144 1.975 3.769 0.179 19 0 "[ . 1 . 2]" 1 962 1 53 LEU QB 1 54 GLY H 4.270 . 4.270 2.712 1.763 3.598 . 0 0 "[ . 1 . 2]" 1 963 1 53 LEU QB 1 54 GLY QA 5.340 . 5.340 3.849 3.474 4.356 . 0 0 "[ . 1 . 2]" 1 964 1 53 LEU QB 1 55 GLY H 5.340 . 5.340 4.465 2.762 5.423 0.083 8 0 "[ . 1 . 2]" 1 965 1 53 LEU HB2 1 54 GLY H 5.000 . 5.000 2.794 1.779 3.875 . 0 0 "[ . 1 . 2]" 1 966 1 53 LEU HB3 1 54 GLY H 5.000 . 5.000 3.755 2.888 4.354 . 0 0 "[ . 1 . 2]" 1 967 1 53 LEU MD1 1 54 GLY H 5.500 . 5.500 4.575 3.547 5.289 . 0 0 "[ . 1 . 2]" 1 968 1 53 LEU MD2 1 54 GLY H 5.500 . 5.500 4.674 4.374 5.448 . 0 0 "[ . 1 . 2]" 1 969 1 55 GLY QA 1 56 LEU QB 5.340 . 5.340 4.065 3.516 4.647 . 0 0 "[ . 1 . 2]" 1 970 1 55 GLY QA 1 57 GLU H 5.370 . 5.370 4.192 3.137 5.408 0.038 8 0 "[ . 1 . 2]" 1 971 1 56 LEU H 1 56 LEU QB 3.670 . 3.670 2.518 2.213 3.386 . 0 0 "[ . 1 . 2]" 1 972 1 56 LEU H 1 56 LEU MD1 5.500 . 5.500 3.936 1.609 4.710 . 0 0 "[ . 1 . 2]" 1 973 1 56 LEU H 1 56 LEU MD2 5.500 . 5.500 3.702 1.495 4.879 . 0 0 "[ . 1 . 2]" 1 974 1 56 LEU H 1 56 LEU HG 5.260 . 5.260 3.734 2.223 4.733 . 0 0 "[ . 1 . 2]" 1 975 1 56 LEU H 1 57 GLU H 4.600 . 4.600 3.053 1.488 4.526 . 0 0 "[ . 1 . 2]" 1 976 1 56 LEU HA 1 56 LEU MD1 4.470 . 4.470 3.376 1.954 4.106 . 0 0 "[ . 1 . 2]" 1 977 1 56 LEU HA 1 56 LEU MD2 3.830 . 3.830 2.871 1.961 3.865 0.035 11 0 "[ . 1 . 2]" 1 978 1 56 LEU HB2 1 57 GLU H 5.500 . 5.500 3.676 1.962 4.622 . 0 0 "[ . 1 . 2]" 1 979 1 56 LEU HB3 1 57 GLU H 5.500 . 5.500 3.557 2.527 4.455 . 0 0 "[ . 1 . 2]" 1 980 1 56 LEU MD1 1 57 GLU H 5.500 . 5.500 4.435 2.101 5.534 0.034 18 0 "[ . 1 . 2]" 1 981 1 56 LEU MD2 1 57 GLU H 5.500 . 5.500 3.864 2.024 5.345 . 0 0 "[ . 1 . 2]" 1 982 1 57 GLU H 1 57 GLU HG2 5.500 . 5.500 3.760 2.182 4.776 . 0 0 "[ . 1 . 2]" 1 983 1 57 GLU H 1 57 GLU QG 4.810 . 4.810 3.303 2.122 4.321 . 0 0 "[ . 1 . 2]" 1 984 1 57 GLU H 1 57 GLU HG3 5.500 . 5.500 3.978 2.504 5.103 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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