NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
606213 | 5k57 | 30097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5k57 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 1870 _Distance_constraint_stats_list.Viol_count 3996 _Distance_constraint_stats_list.Viol_total 4146.075 _Distance_constraint_stats_list.Viol_max 0.492 _Distance_constraint_stats_list.Viol_rms 0.0160 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0025 _Distance_constraint_stats_list.Viol_average_violations_only 0.0346 _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 6 SER 0.105 0.048 22 0 "[ . 1 . 2 . 3]" 1 7 SER 0.105 0.048 22 0 "[ . 1 . 2 . 3]" 1 8 PRO 0.545 0.044 14 0 "[ . 1 . 2 . 3]" 1 9 GLY 1.254 0.101 22 0 "[ . 1 . 2 . 3]" 1 10 GLU 1.133 0.112 15 0 "[ . 1 . 2 . 3]" 1 11 ILE 11.269 0.492 29 0 "[ . 1 . 2 . 3]" 1 12 THR 2.137 0.143 21 0 "[ . 1 . 2 . 3]" 1 13 SER 0.778 0.079 20 0 "[ . 1 . 2 . 3]" 1 14 SER 0.584 0.079 5 0 "[ . 1 . 2 . 3]" 1 15 PRO 1.222 0.079 20 0 "[ . 1 . 2 . 3]" 1 16 GLN 1.395 0.079 20 0 "[ . 1 . 2 . 3]" 1 17 GLY 0.552 0.108 10 0 "[ . 1 . 2 . 3]" 1 18 LEU 4.287 0.403 20 0 "[ . 1 . 2 . 3]" 1 19 ASP 1.490 0.166 5 0 "[ . 1 . 2 . 3]" 1 20 ASN 3.173 0.115 20 0 "[ . 1 . 2 . 3]" 1 21 PRO 3.874 0.240 24 0 "[ . 1 . 2 . 3]" 1 22 ALA 1.350 0.100 29 0 "[ . 1 . 2 . 3]" 1 23 LEU 2.317 0.115 20 0 "[ . 1 . 2 . 3]" 1 24 LEU 6.248 0.212 4 0 "[ . 1 . 2 . 3]" 1 25 ARG 7.921 0.291 20 0 "[ . 1 . 2 . 3]" 1 26 ASP 0.498 0.039 4 0 "[ . 1 . 2 . 3]" 1 27 MET 3.948 0.121 1 0 "[ . 1 . 2 . 3]" 1 28 LEU 5.139 0.192 4 0 "[ . 1 . 2 . 3]" 1 29 LEU 6.856 0.291 20 0 "[ . 1 . 2 . 3]" 1 30 ALA 0.384 0.019 2 0 "[ . 1 . 2 . 3]" 1 31 ASN 2.782 0.081 21 0 "[ . 1 . 2 . 3]" 1 32 PRO 0.439 0.034 20 0 "[ . 1 . 2 . 3]" 1 33 HIS 0.284 0.038 8 0 "[ . 1 . 2 . 3]" 1 34 GLU 4.079 0.230 2 0 "[ . 1 . 2 . 3]" 1 35 LEU 10.339 0.230 2 0 "[ . 1 . 2 . 3]" 1 36 SER 2.714 0.083 24 0 "[ . 1 . 2 . 3]" 1 37 LEU 8.240 0.156 29 0 "[ . 1 . 2 . 3]" 1 38 LEU 6.228 0.156 29 0 "[ . 1 . 2 . 3]" 1 39 LYS 6.355 0.226 21 0 "[ . 1 . 2 . 3]" 1 40 GLU 1.404 0.108 24 0 "[ . 1 . 2 . 3]" 1 41 ARG 2.782 0.178 29 0 "[ . 1 . 2 . 3]" 1 42 ASN 2.975 0.178 29 0 "[ . 1 . 2 . 3]" 1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 PRO 0.218 0.033 20 0 "[ . 1 . 2 . 3]" 1 45 LEU 6.102 0.295 15 0 "[ . 1 . 2 . 3]" 1 46 ALA 1.592 0.063 2 0 "[ . 1 . 2 . 3]" 1 47 GLU 1.283 0.086 21 0 "[ . 1 . 2 . 3]" 1 48 ALA 8.702 0.259 2 0 "[ . 1 . 2 . 3]" 1 49 LEU 2.665 0.083 9 0 "[ . 1 . 2 . 3]" 1 50 LEU 4.978 0.166 2 0 "[ . 1 . 2 . 3]" 1 51 SER 1.359 0.048 20 0 "[ . 1 . 2 . 3]" 1 52 GLY 0.387 0.040 20 0 "[ . 1 . 2 . 3]" 1 53 ASP 4.253 0.236 20 0 "[ . 1 . 2 . 3]" 1 54 LEU 2.103 0.060 20 0 "[ . 1 . 2 . 3]" 1 55 GLU 1.540 0.067 11 0 "[ . 1 . 2 . 3]" 1 56 LYS 14.595 0.299 15 0 "[ . 1 . 2 . 3]" 1 57 PHE 2.763 0.128 24 0 "[ . 1 . 2 . 3]" 1 58 SER 5.601 0.173 20 0 "[ . 1 . 2 . 3]" 1 59 ARG 3.571 0.198 16 0 "[ . 1 . 2 . 3]" 1 60 VAL 10.852 0.299 15 0 "[ . 1 . 2 . 3]" 1 61 LEU 8.254 0.240 24 0 "[ . 1 . 2 . 3]" 1 62 VAL 3.753 0.241 7 0 "[ . 1 . 2 . 3]" 1 63 GLU 1.974 0.109 7 0 "[ . 1 . 2 . 3]" 1 64 GLN 0.825 0.151 26 0 "[ . 1 . 2 . 3]" 1 65 GLN 2.444 0.241 7 0 "[ . 1 . 2 . 3]" 1 66 GLN 1.430 0.173 7 0 "[ . 1 . 2 . 3]" 1 67 ASP 1.258 0.421 21 0 "[ . 1 . 2 . 3]" 1 68 ARG 1.141 0.176 8 0 "[ . 1 . 2 . 3]" 1 69 ALA 1.019 0.176 8 0 "[ . 1 . 2 . 3]" 1 70 ARG 2.354 0.421 21 0 "[ . 1 . 2 . 3]" 1 71 ARG 1.456 0.094 20 0 "[ . 1 . 2 . 3]" 1 72 GLU 2.482 0.105 20 0 "[ . 1 . 2 . 3]" 1 73 GLN 0.252 0.032 7 0 "[ . 1 . 2 . 3]" 1 74 GLU 0.177 0.036 17 0 "[ . 1 . 2 . 3]" 1 75 ARG 0.564 0.073 30 0 "[ . 1 . 2 . 3]" 1 76 ILE 1.078 0.079 8 0 "[ . 1 . 2 . 3]" 1 77 ARG 1.024 0.079 8 0 "[ . 1 . 2 . 3]" 1 78 LEU 1.685 0.120 15 0 "[ . 1 . 2 . 3]" 1 79 PHE 2.705 0.169 29 0 "[ . 1 . 2 . 3]" 1 80 SER 0.718 0.161 12 0 "[ . 1 . 2 . 3]" 1 81 ALA 0.979 0.161 12 0 "[ . 1 . 2 . 3]" 1 82 ASP 0.374 0.044 13 0 "[ . 1 . 2 . 3]" 1 83 PRO 0.690 0.080 5 0 "[ . 1 . 2 . 3]" 1 84 PHE 1.378 0.115 21 0 "[ . 1 . 2 . 3]" 1 85 ASP 3.179 0.196 20 0 "[ . 1 . 2 . 3]" 1 86 LEU 1.191 0.096 20 0 "[ . 1 . 2 . 3]" 1 87 GLU 1.364 0.131 15 0 "[ . 1 . 2 . 3]" 1 88 ALA 2.880 0.196 20 0 "[ . 1 . 2 . 3]" 1 89 GLN 0.889 0.076 7 0 "[ . 1 . 2 . 3]" 1 90 ALA 1.041 0.190 17 0 "[ . 1 . 2 . 3]" 1 91 LYS 1.358 0.190 17 0 "[ . 1 . 2 . 3]" 1 92 ILE 0.868 0.112 5 0 "[ . 1 . 2 . 3]" 1 93 GLU 1.080 0.070 4 0 "[ . 1 . 2 . 3]" 1 94 GLU 0.448 0.086 21 0 "[ . 1 . 2 . 3]" 1 95 ASP 0.457 0.086 21 0 "[ . 1 . 2 . 3]" 1 96 ILE 0.697 0.080 4 0 "[ . 1 . 2 . 3]" 1 97 ARG 0.533 0.080 4 0 "[ . 1 . 2 . 3]" 1 98 GLN 0.209 0.075 4 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 6 SER QB 1 7 SER H 3.860 . 3.860 2.972 1.771 3.908 0.048 22 0 "[ . 1 . 2 . 3]" 1 2 1 8 PRO HA 1 9 GLY H 3.090 . 3.090 2.451 2.134 3.094 0.004 22 0 "[ . 1 . 2 . 3]" 1 3 1 8 PRO HA 1 10 GLU H 4.990 . 4.990 4.072 3.299 4.794 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 8 PRO QB 1 9 GLY H 3.910 . 3.910 2.713 2.170 3.954 0.044 14 0 "[ . 1 . 2 . 3]" 1 5 1 8 PRO HB2 1 9 GLY H 4.630 . 4.630 2.812 2.191 4.326 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 8 PRO HB3 1 9 GLY H 4.630 . 4.630 3.722 3.463 4.588 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 8 PRO HD2 1 9 GLY H 5.500 . 5.500 5.327 3.154 5.530 0.030 15 0 "[ . 1 . 2 . 3]" 1 8 1 8 PRO HD3 1 9 GLY H 5.500 . 5.500 5.427 4.183 5.534 0.034 8 0 "[ . 1 . 2 . 3]" 1 9 1 8 PRO QG 1 9 GLY H 4.880 . 4.880 4.035 3.607 4.735 . 0 0 "[ . 1 . 2 . 3]" 1 10 1 9 GLY H 1 10 GLU H 3.540 . 3.540 2.395 1.686 3.504 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 9 GLY QA 1 10 GLU H 2.810 . 2.810 2.738 2.444 2.878 0.068 8 0 "[ . 1 . 2 . 3]" 1 12 1 9 GLY QA 1 11 ILE H 4.560 . 4.560 3.211 2.802 4.056 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 9 GLY QA 1 12 THR H 5.500 . 5.500 5.233 4.429 5.601 0.101 22 0 "[ . 1 . 2 . 3]" 1 14 1 10 GLU H 1 10 GLU QB 2.910 . 2.910 2.563 2.138 2.982 0.072 22 0 "[ . 1 . 2 . 3]" 1 15 1 10 GLU H 1 11 ILE H 3.430 . 3.430 2.994 2.283 3.433 0.003 13 0 "[ . 1 . 2 . 3]" 1 16 1 10 GLU H 1 11 ILE QG 5.120 . 5.120 3.525 2.610 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 10 GLU HA 1 11 ILE H 2.940 . 2.940 2.912 2.303 3.052 0.112 15 0 "[ . 1 . 2 . 3]" 1 18 1 10 GLU HA 1 11 ILE QG 5.200 . 5.200 4.390 3.215 5.239 0.039 19 0 "[ . 1 . 2 . 3]" 1 19 1 10 GLU QB 1 12 THR H 5.340 . 5.340 4.190 3.612 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 10 GLU QG 1 11 ILE H 4.770 . 4.770 4.418 3.071 4.801 0.031 13 0 "[ . 1 . 2 . 3]" 1 21 1 10 GLU QG 1 12 THR H 5.500 . 5.500 4.663 3.434 5.504 0.004 22 0 "[ . 1 . 2 . 3]" 1 22 1 11 ILE H 1 11 ILE HB 2.900 . 2.900 2.534 1.910 3.065 0.165 20 0 "[ . 1 . 2 . 3]" 1 23 1 11 ILE H 1 11 ILE MD 4.140 . 4.140 3.309 1.991 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 11 ILE H 1 11 ILE QG 3.250 . 3.250 2.018 1.507 3.276 0.026 25 0 "[ . 1 . 2 . 3]" 1 25 1 11 ILE H 1 11 ILE MG 3.140 . 3.140 3.424 3.165 3.632 0.492 29 0 "[ . 1 . 2 . 3]" 1 26 1 11 ILE H 1 12 THR H 3.620 . 3.620 2.628 2.017 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 11 ILE H 1 12 THR MG 4.600 . 4.600 3.800 3.089 4.611 0.011 27 0 "[ . 1 . 2 . 3]" 1 28 1 11 ILE HA 1 11 ILE MD 4.440 . 4.440 3.646 2.075 4.164 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 11 ILE HA 1 11 ILE HG12 4.070 . 4.070 3.002 2.452 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 11 ILE HA 1 11 ILE HG13 4.070 . 4.070 3.326 2.270 3.940 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 11 ILE HA 1 11 ILE MG 3.180 . 3.180 2.341 2.066 2.997 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 11 ILE HA 1 12 THR H 3.090 . 3.090 3.073 2.444 3.233 0.143 21 0 "[ . 1 . 2 . 3]" 1 33 1 11 ILE HB 1 12 THR H 4.600 . 4.600 3.676 2.905 4.426 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 11 ILE HB 1 12 THR HA 5.410 . 5.410 4.667 4.033 5.435 0.025 3 0 "[ . 1 . 2 . 3]" 1 35 1 11 ILE QG 1 12 THR H 4.890 . 4.890 4.087 3.470 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 11 ILE MG 1 12 THR H 4.350 . 4.350 4.016 3.247 4.374 0.024 4 0 "[ . 1 . 2 . 3]" 1 37 1 12 THR H 1 12 THR MG 3.410 . 3.410 2.526 1.993 3.259 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 12 THR HA 1 12 THR MG 3.280 . 3.280 2.545 2.156 3.268 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 12 THR HB 1 13 SER H 4.000 . 4.000 3.551 2.037 4.079 0.079 20 0 "[ . 1 . 2 . 3]" 1 40 1 12 THR MG 1 13 SER H 4.190 . 4.190 3.781 2.102 4.221 0.031 20 0 "[ . 1 . 2 . 3]" 1 41 1 13 SER H 1 13 SER QB 3.710 . 3.710 2.699 2.091 3.345 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 13 SER HA 1 14 SER H 3.300 . 3.300 2.583 2.105 3.335 0.035 2 0 "[ . 1 . 2 . 3]" 1 43 1 13 SER QB 1 14 SER H 3.420 . 3.420 2.897 1.812 3.499 0.079 5 0 "[ . 1 . 2 . 3]" 1 44 1 14 SER H 1 14 SER QB 3.820 . 3.820 2.873 2.460 3.348 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 14 SER H 1 15 PRO QD 3.610 . 3.610 2.973 1.578 3.639 0.029 12 0 "[ . 1 . 2 . 3]" 1 46 1 14 SER HA 1 16 GLN H 5.020 . 5.020 3.416 2.878 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 14 SER HA 1 18 LEU H 5.500 . 5.500 5.013 4.052 5.530 0.030 29 0 "[ . 1 . 2 . 3]" 1 48 1 15 PRO HA 1 17 GLY H 4.590 . 4.590 3.673 2.978 4.217 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 15 PRO HA 1 18 LEU H 5.500 . 5.500 4.697 2.973 5.564 0.064 20 0 "[ . 1 . 2 . 3]" 1 50 1 15 PRO QB 1 16 GLN H 3.500 . 3.500 3.413 3.079 3.579 0.079 20 0 "[ . 1 . 2 . 3]" 1 51 1 15 PRO HB2 1 16 GLN H 4.220 . 4.220 3.607 3.180 3.830 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 15 PRO HB3 1 16 GLN H 4.220 . 4.220 4.230 4.112 4.298 0.078 20 0 "[ . 1 . 2 . 3]" 1 53 1 15 PRO QD 1 16 GLN H 3.750 . 3.750 2.766 2.584 3.139 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 15 PRO HD2 1 16 GLN H 4.520 . 4.520 2.828 2.630 3.240 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 15 PRO HD3 1 16 GLN H 4.520 . 4.520 3.927 3.784 4.201 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 15 PRO QG 1 16 GLN HA 4.340 . 4.340 4.161 3.852 4.353 0.013 17 0 "[ . 1 . 2 . 3]" 1 57 1 16 GLN H 1 16 GLN QB 3.010 . 3.010 2.547 2.112 3.028 0.018 27 0 "[ . 1 . 2 . 3]" 1 58 1 16 GLN H 1 16 GLN QG 3.840 . 3.840 2.637 2.005 3.915 0.075 20 0 "[ . 1 . 2 . 3]" 1 59 1 16 GLN H 1 17 GLY H 3.460 . 3.460 2.902 2.435 3.461 0.001 11 0 "[ . 1 . 2 . 3]" 1 60 1 16 GLN H 1 18 LEU H 5.060 . 5.060 3.848 3.214 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 16 GLN HA 1 16 GLN QG 3.600 . 3.600 2.622 2.187 3.501 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 16 GLN HA 1 18 LEU H 5.000 . 5.000 4.169 3.151 5.014 0.014 10 0 "[ . 1 . 2 . 3]" 1 63 1 16 GLN QB 1 18 LEU H 5.340 . 5.340 4.056 2.756 5.350 0.010 28 0 "[ . 1 . 2 . 3]" 1 64 1 16 GLN HB2 1 17 GLY H 4.530 . 4.530 3.733 2.736 4.487 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 16 GLN HB3 1 17 GLY H 4.530 . 4.530 3.944 2.648 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 16 GLN QG 1 17 GLY H 4.780 . 4.780 4.107 2.535 4.805 0.025 9 0 "[ . 1 . 2 . 3]" 1 67 1 16 GLN QG 1 18 LEU H 5.500 . 5.500 4.902 2.233 5.543 0.043 5 0 "[ . 1 . 2 . 3]" 1 68 1 17 GLY H 1 18 LEU H 3.430 . 3.430 2.584 2.003 2.913 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 17 GLY H 1 18 LEU QB 5.110 . 5.110 4.679 3.822 5.110 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 17 GLY H 1 18 LEU HG 5.500 . 5.500 4.327 3.712 5.340 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 17 GLY H 1 24 LEU QD 4.880 . 4.880 3.977 2.787 4.688 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 17 GLY QA 1 18 LEU H 2.960 . 2.960 2.889 2.800 2.972 0.012 2 0 "[ . 1 . 2 . 3]" 1 73 1 17 GLY QA 1 18 LEU QB 5.440 . 5.440 4.649 4.144 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 17 GLY QA 1 18 LEU HG 5.500 . 5.500 4.567 4.164 5.505 0.005 28 0 "[ . 1 . 2 . 3]" 1 75 1 17 GLY QA 1 19 ASP H 4.150 . 4.150 3.667 3.174 4.176 0.026 5 0 "[ . 1 . 2 . 3]" 1 76 1 17 GLY QA 1 24 LEU H 4.700 . 4.700 3.527 2.986 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 17 GLY QA 1 24 LEU QD 4.220 . 4.220 2.483 1.991 3.214 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 17 GLY QA 1 61 LEU MD1 4.980 . 4.980 4.812 4.164 5.088 0.108 10 0 "[ . 1 . 2 . 3]" 1 79 1 17 GLY QA 1 61 LEU QD 4.380 . 4.380 4.165 3.679 4.415 0.035 8 0 "[ . 1 . 2 . 3]" 1 80 1 17 GLY QA 1 61 LEU MD2 4.980 . 4.980 4.567 4.097 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 18 LEU H 1 18 LEU QB 2.830 . 2.830 2.486 2.130 2.587 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 18 LEU H 1 18 LEU MD1 4.140 . 4.140 3.748 3.568 4.163 0.023 28 0 "[ . 1 . 2 . 3]" 1 83 1 18 LEU H 1 18 LEU MD2 4.140 . 4.140 3.186 2.685 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 18 LEU H 1 18 LEU HG 3.270 . 3.270 2.341 2.039 3.136 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 18 LEU H 1 19 ASP H 3.200 . 3.200 2.491 2.138 2.718 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 18 LEU H 1 19 ASP HA 5.500 . 5.500 5.208 4.843 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 18 LEU H 1 19 ASP QB 4.790 . 4.790 4.289 3.850 4.816 0.026 20 0 "[ . 1 . 2 . 3]" 1 88 1 18 LEU H 1 24 LEU QD 4.450 . 4.450 3.974 3.390 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 18 LEU HA 1 18 LEU MD1 4.340 . 4.340 3.769 3.188 3.928 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 18 LEU HA 1 18 LEU QD 3.040 . 3.040 2.618 2.180 3.443 0.403 20 0 "[ . 1 . 2 . 3]" 1 91 1 18 LEU HA 1 18 LEU MD2 4.340 . 4.340 2.888 2.191 4.137 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 18 LEU HA 1 19 ASP H 3.540 . 3.540 3.513 3.445 3.545 0.005 28 0 "[ . 1 . 2 . 3]" 1 93 1 18 LEU HA 1 20 ASN H 5.030 . 5.030 4.157 3.684 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 18 LEU HA 1 24 LEU QD 4.000 . 4.000 3.513 2.940 4.019 0.019 28 0 "[ . 1 . 2 . 3]" 1 95 1 18 LEU QB 1 18 LEU QD 2.730 . 2.730 1.919 1.838 1.981 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 18 LEU QB 1 19 ASP H 3.710 . 3.710 2.940 2.427 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 18 LEU QB 1 19 ASP QB 5.200 . 5.200 4.102 3.348 5.264 0.064 27 0 "[ . 1 . 2 . 3]" 1 98 1 18 LEU QB 1 20 ASN H 5.080 . 5.080 4.623 4.339 5.093 0.013 13 0 "[ . 1 . 2 . 3]" 1 99 1 18 LEU QD 1 19 ASP H 4.360 . 4.360 3.659 2.849 4.142 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 18 LEU MD1 1 19 ASP H 4.990 . 4.990 3.962 2.937 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 18 LEU MD2 1 19 ASP H 4.990 . 4.990 4.401 3.779 4.692 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 18 LEU HG 1 19 ASP H 4.240 . 4.240 3.465 2.069 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 18 LEU HG 1 19 ASP QB 5.500 . 5.500 4.781 2.985 5.579 0.079 2 0 "[ . 1 . 2 . 3]" 1 104 1 19 ASP H 1 19 ASP QB 2.850 . 2.850 2.239 2.010 2.596 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 19 ASP H 1 20 ASN H 3.060 . 3.060 2.291 2.031 2.449 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 19 ASP H 1 20 ASN QB 4.770 . 4.770 4.254 3.793 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 19 ASP H 1 21 PRO HD3 5.430 . 5.430 5.058 4.485 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 19 ASP H 1 24 LEU QD 5.440 . 5.440 5.311 4.830 5.494 0.054 1 0 "[ . 1 . 2 . 3]" 1 109 1 19 ASP H 1 61 LEU QD 4.630 . 4.630 4.522 4.241 4.796 0.166 5 0 "[ . 1 . 2 . 3]" 1 110 1 19 ASP HA 1 20 ASN H 3.510 . 3.510 3.471 3.246 3.517 0.007 12 0 "[ . 1 . 2 . 3]" 1 111 1 19 ASP QB 1 20 ASN H 3.720 . 3.720 2.886 2.540 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 19 ASP QB 1 21 PRO HD2 5.500 . 5.500 5.371 5.011 5.532 0.032 5 0 "[ . 1 . 2 . 3]" 1 113 1 19 ASP QB 1 21 PRO HD3 5.500 . 5.500 5.232 4.859 5.427 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 20 ASN H 1 20 ASN HB2 3.660 . 3.660 2.472 2.301 2.552 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 20 ASN H 1 20 ASN QB 3.080 . 3.080 2.427 2.231 2.508 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 20 ASN H 1 20 ASN HB3 3.660 . 3.660 3.573 2.818 3.698 0.038 8 0 "[ . 1 . 2 . 3]" 1 117 1 20 ASN H 1 20 ASN HD21 5.500 . 5.500 5.253 4.855 5.560 0.060 13 0 "[ . 1 . 2 . 3]" 1 118 1 20 ASN H 1 20 ASN QD 4.810 . 4.810 4.320 3.771 4.696 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 20 ASN H 1 20 ASN HD22 5.500 . 5.500 4.614 3.884 5.146 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 20 ASN H 1 21 PRO HA 5.500 . 5.500 4.725 4.282 5.031 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 20 ASN H 1 21 PRO HD3 4.150 . 4.150 3.789 3.362 4.152 0.002 29 0 "[ . 1 . 2 . 3]" 1 122 1 20 ASN H 1 23 LEU H 5.500 . 5.500 5.362 5.143 5.507 0.007 13 0 "[ . 1 . 2 . 3]" 1 123 1 20 ASN H 1 23 LEU QB 5.270 . 5.270 4.913 4.464 5.235 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 20 ASN HA 1 20 ASN QD 4.460 . 4.460 2.661 1.819 3.850 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 20 ASN HA 1 21 PRO HD2 3.630 . 3.630 2.116 2.045 2.174 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 20 ASN HA 1 21 PRO HG2 4.670 . 4.670 4.041 3.976 4.296 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 20 ASN HA 1 21 PRO HG3 4.650 . 4.650 4.672 4.636 4.695 0.045 2 0 "[ . 1 . 2 . 3]" 1 128 1 20 ASN HA 1 22 ALA H 4.100 . 4.100 3.270 3.100 3.410 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 20 ASN HA 1 23 LEU H 5.010 . 5.010 3.982 3.785 4.218 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 20 ASN QB 1 20 ASN QD 3.080 . 3.080 2.282 1.984 2.624 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 20 ASN QB 1 22 ALA H 5.340 . 5.340 3.701 3.398 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 20 ASN QB 1 23 LEU H 3.900 . 3.900 2.493 2.086 3.053 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 20 ASN QB 1 23 LEU QB 3.550 . 3.550 2.351 2.036 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 20 ASN QB 1 23 LEU QD 3.210 . 3.210 2.338 2.139 2.663 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 20 ASN QB 1 23 LEU HG 4.130 . 4.130 2.287 2.045 3.290 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 20 ASN QB 1 24 LEU H 4.570 . 4.570 3.470 3.259 3.856 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 20 ASN HB2 1 21 PRO HD2 4.980 . 4.980 4.889 4.727 4.988 0.008 27 0 "[ . 1 . 2 . 3]" 1 138 1 20 ASN HB2 1 21 PRO HD3 5.500 . 5.500 5.283 5.086 5.463 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 20 ASN HB2 1 23 LEU H 4.610 . 4.610 3.903 3.491 4.556 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 20 ASN HB2 1 23 LEU MD1 5.500 . 5.500 2.922 2.414 5.164 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 20 ASN HB2 1 23 LEU MD2 5.500 . 5.500 4.852 3.387 5.531 0.031 13 0 "[ . 1 . 2 . 3]" 1 142 1 20 ASN HB2 1 23 LEU HG 4.860 . 4.860 3.635 3.142 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 20 ASN HB2 1 24 LEU H 5.220 . 5.220 4.247 3.753 5.233 0.013 11 0 "[ . 1 . 2 . 3]" 1 144 1 20 ASN HB3 1 21 PRO HD2 4.980 . 4.980 4.422 4.246 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 20 ASN HB3 1 21 PRO HD3 5.500 . 5.500 5.251 5.094 5.314 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 20 ASN HB3 1 23 LEU H 4.610 . 4.610 2.524 2.096 3.102 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 20 ASN HB3 1 23 LEU MD1 5.500 . 5.500 2.711 2.400 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 20 ASN HB3 1 23 LEU MD2 5.500 . 5.500 3.828 2.173 4.660 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 20 ASN HB3 1 23 LEU HG 4.860 . 4.860 2.322 2.066 3.418 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 20 ASN HB3 1 24 LEU H 5.220 . 5.220 3.727 3.449 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 20 ASN QD 1 22 ALA MB 4.670 . 4.670 3.883 3.338 4.760 0.090 20 0 "[ . 1 . 2 . 3]" 1 152 1 20 ASN QD 1 23 LEU H 5.340 . 5.340 4.145 3.801 4.964 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 20 ASN QD 1 23 LEU QB 4.480 . 4.480 4.316 3.819 4.543 0.063 5 0 "[ . 1 . 2 . 3]" 1 154 1 20 ASN QD 1 23 LEU QD 3.520 . 3.520 2.973 2.492 3.406 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 20 ASN HD21 1 22 ALA MB 5.430 . 5.430 5.128 4.063 5.443 0.013 6 0 "[ . 1 . 2 . 3]" 1 156 1 20 ASN HD21 1 23 LEU MD1 4.850 . 4.850 3.598 2.890 4.965 0.115 20 0 "[ . 1 . 2 . 3]" 1 157 1 20 ASN HD21 1 23 LEU MD2 4.850 . 4.850 4.726 3.210 4.959 0.109 2 0 "[ . 1 . 2 . 3]" 1 158 1 20 ASN HD21 1 23 LEU HG 4.880 . 4.880 4.106 3.065 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 20 ASN HD22 1 22 ALA MB 5.430 . 5.430 4.150 3.414 5.529 0.099 20 0 "[ . 1 . 2 . 3]" 1 160 1 20 ASN HD22 1 23 LEU MD1 4.850 . 4.850 3.504 2.764 4.689 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 20 ASN HD22 1 23 LEU MD2 4.850 . 4.850 4.372 3.355 4.873 0.023 4 0 "[ . 1 . 2 . 3]" 1 162 1 20 ASN HD22 1 23 LEU HG 4.880 . 4.880 3.319 2.590 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 21 PRO HA 1 23 LEU H 4.710 . 4.710 4.382 4.200 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 21 PRO HA 1 24 LEU H 3.670 . 3.670 3.343 3.087 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 21 PRO HA 1 24 LEU HB2 3.970 . 3.970 3.464 2.506 3.720 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 21 PRO HA 1 24 LEU HB3 3.970 . 3.970 2.525 2.375 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 21 PRO HA 1 24 LEU QD 4.250 . 4.250 3.361 3.150 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 21 PRO HA 1 25 ARG H 4.140 . 4.140 3.659 3.542 3.760 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 21 PRO HA 1 54 LEU QD 4.410 . 4.410 4.130 3.960 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 21 PRO HA 1 57 PHE QD 5.350 . 5.350 3.701 3.478 4.461 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 21 PRO HA 1 57 PHE QE 4.780 . 4.780 2.335 2.039 2.888 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 21 PRO HA 1 61 LEU MD1 3.860 . 3.860 3.176 2.948 3.670 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 21 PRO HA 1 61 LEU QD 3.120 . 3.120 2.450 2.302 2.943 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 21 PRO HA 1 61 LEU MD2 3.860 . 3.860 2.551 2.373 3.110 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 21 PRO HB2 1 22 ALA H 3.530 . 3.530 3.373 3.244 3.535 0.005 27 0 "[ . 1 . 2 . 3]" 1 176 1 21 PRO HB2 1 22 ALA MB 5.030 . 5.030 4.488 4.360 4.695 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 21 PRO HB2 1 23 LEU H 5.480 . 5.480 5.471 5.388 5.495 0.015 20 0 "[ . 1 . 2 . 3]" 1 178 1 21 PRO HB2 1 54 LEU QD 3.310 . 3.310 2.396 2.249 2.681 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 21 PRO HB2 1 57 PHE QD 4.650 . 4.650 2.321 2.164 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 21 PRO HB2 1 57 PHE QE 4.800 . 4.800 3.285 2.910 3.505 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 21 PRO HB2 1 58 SER H 5.210 . 5.210 3.898 3.753 4.457 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 21 PRO HB2 1 58 SER HA 4.900 . 4.900 2.883 2.670 3.133 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 21 PRO HB2 1 58 SER HB2 5.330 . 5.330 2.713 2.528 3.068 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 21 PRO HB2 1 58 SER HB3 5.330 . 5.330 4.395 4.243 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 21 PRO HB2 1 61 LEU HB3 5.500 . 5.500 4.708 4.498 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 21 PRO HB2 1 61 LEU MD1 4.170 . 4.170 4.063 3.699 4.186 0.016 21 0 "[ . 1 . 2 . 3]" 1 187 1 21 PRO HB2 1 61 LEU MD2 4.170 . 4.170 3.444 2.905 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 21 PRO HB3 1 22 ALA H 4.270 . 4.270 4.211 4.145 4.276 0.006 11 0 "[ . 1 . 2 . 3]" 1 189 1 21 PRO HB3 1 24 LEU QD 5.440 . 5.440 4.566 4.134 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 21 PRO HB3 1 54 LEU QD 3.990 . 3.990 3.775 3.630 4.046 0.056 17 0 "[ . 1 . 2 . 3]" 1 191 1 21 PRO HB3 1 57 PHE QD 4.580 . 4.580 3.245 3.036 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 21 PRO HB3 1 57 PHE QE 4.460 . 4.460 3.293 2.978 3.485 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 21 PRO HB3 1 58 SER HA 4.480 . 4.480 2.581 2.349 3.443 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 21 PRO HB3 1 61 LEU MD1 3.780 . 3.780 3.083 2.996 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 21 PRO HB3 1 61 LEU MD2 3.780 . 3.780 1.934 1.882 1.970 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 21 PRO HD2 1 22 ALA H 3.500 . 3.500 2.942 2.693 3.048 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 21 PRO HD2 1 23 LEU H 5.110 . 5.110 4.914 4.632 5.052 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 21 PRO HD2 1 54 LEU QD 5.500 . 5.500 4.442 3.987 4.706 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 21 PRO HG2 1 22 ALA H 3.570 . 3.570 2.416 2.282 2.568 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 21 PRO HG2 1 54 LEU QD 4.210 . 4.210 2.771 2.389 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 21 PRO HG2 1 58 SER H 5.500 . 5.500 5.325 5.031 5.505 0.005 27 0 "[ . 1 . 2 . 3]" 1 202 1 21 PRO HG2 1 61 LEU MD1 5.500 . 5.500 5.593 5.531 5.740 0.240 24 0 "[ . 1 . 2 . 3]" 1 203 1 21 PRO HG2 1 61 LEU QD 4.550 . 4.550 4.095 3.984 4.307 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 21 PRO HG2 1 61 LEU MD2 5.500 . 5.500 4.211 4.082 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 21 PRO HG3 1 22 ALA H 4.410 . 4.410 3.984 3.873 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 21 PRO HG3 1 54 LEU QD . . 4.730 3.677 3.330 4.029 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 21 PRO HG3 1 58 SER HA 5.400 . 5.400 3.214 2.968 3.802 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 21 PRO HG3 1 58 SER HB2 5.500 . 5.500 2.995 2.631 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 21 PRO HG3 1 58 SER HB3 5.500 . 5.500 4.215 3.988 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 21 PRO HG3 1 61 LEU MD1 5.140 . 5.140 5.014 4.913 5.160 0.020 27 0 "[ . 1 . 2 . 3]" 1 211 1 21 PRO HG3 1 61 LEU QD 4.060 . 4.060 3.216 3.015 3.490 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 21 PRO HG3 1 61 LEU MD2 5.140 . 5.140 3.255 3.042 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 22 ALA H 1 22 ALA MB 2.570 . 2.570 2.228 2.193 2.243 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 22 ALA H 1 23 LEU H 2.980 . 2.980 2.717 2.616 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 22 ALA H 1 23 LEU QB 5.290 . 5.290 4.817 4.489 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 22 ALA H 1 24 LEU H 4.360 . 4.360 4.079 3.955 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 22 ALA H 1 25 ARG H 5.160 . 5.160 4.707 4.622 4.802 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 22 ALA H 1 54 LEU QD 3.370 . 3.370 3.043 2.920 3.193 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 22 ALA H 1 54 LEU HG 5.500 . 5.500 4.899 4.599 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 22 ALA H 1 57 PHE QD 5.410 . 5.410 5.097 5.017 5.342 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 22 ALA HA 1 24 LEU H 5.500 . 5.500 4.604 4.476 4.709 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 22 ALA HA 1 25 ARG H 4.140 . 4.140 3.792 3.514 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 22 ALA HA 1 25 ARG HB2 4.620 . 4.620 3.817 3.391 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 22 ALA HA 1 25 ARG QB 3.980 . 3.980 2.882 2.596 3.022 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 22 ALA HA 1 25 ARG HB3 4.620 . 4.620 2.985 2.695 3.148 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 22 ALA HA 1 25 ARG HE 4.650 . 4.650 3.410 2.458 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 22 ALA HA 1 26 ASP H 4.840 . 4.840 4.351 4.054 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 22 ALA HA 1 54 LEU QD 3.100 . 3.100 2.110 1.974 2.190 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 22 ALA MB 1 23 LEU H 3.020 . 3.020 2.520 2.407 2.627 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 22 ALA MB 1 23 LEU HA 5.220 . 5.220 3.866 3.814 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 22 ALA MB 1 24 LEU H 4.820 . 4.820 4.497 4.430 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 22 ALA MB 1 25 ARG H 5.040 . 5.040 4.819 4.689 4.937 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 22 ALA MB 1 25 ARG HE 5.000 . 5.000 4.261 3.448 5.003 0.003 14 0 "[ . 1 . 2 . 3]" 1 234 1 22 ALA MB 1 26 ASP H 5.360 . 5.360 4.900 4.609 5.059 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 22 ALA MB 1 54 LEU QD 3.340 . 3.340 2.672 2.455 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 22 ALA MB 1 57 PHE QD 5.500 . 5.500 5.531 5.434 5.600 0.100 29 0 "[ . 1 . 2 . 3]" 1 237 1 23 LEU H 1 23 LEU QB 2.940 . 2.940 2.469 2.195 2.531 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 23 LEU H 1 23 LEU MD1 3.820 . 3.820 3.759 3.618 3.928 0.108 29 0 "[ . 1 . 2 . 3]" 1 239 1 23 LEU H 1 23 LEU MD2 3.820 . 3.820 3.215 2.262 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 23 LEU H 1 23 LEU HG 4.120 . 4.120 2.460 2.202 3.836 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 23 LEU H 1 24 LEU H 3.070 . 3.070 2.504 2.434 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 23 LEU H 1 24 LEU QB 5.340 . 5.340 4.269 4.149 4.391 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 23 LEU H 1 25 ARG H 4.450 . 4.450 4.089 3.976 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 23 LEU H 1 26 ASP H 4.900 . 4.900 4.723 4.616 4.819 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 23 LEU H 1 26 ASP HB2 5.500 . 5.500 5.224 4.828 5.510 0.010 24 0 "[ . 1 . 2 . 3]" 1 246 1 23 LEU H 1 54 LEU QD 5.120 . 5.120 4.625 4.507 4.721 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 23 LEU HA 1 23 LEU MD1 4.020 . 4.020 3.781 2.227 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 23 LEU HA 1 23 LEU QD 3.040 . 3.040 2.215 2.087 2.285 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 23 LEU HA 1 23 LEU MD2 4.020 . 4.020 2.259 2.095 2.632 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 23 LEU HA 1 23 LEU HG 4.020 . 4.020 3.333 3.054 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 23 LEU HA 1 26 ASP H 3.730 . 3.730 3.363 3.161 3.507 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 23 LEU HA 1 26 ASP HB2 4.350 . 4.350 2.995 2.545 3.305 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 23 LEU HA 1 26 ASP HB3 4.020 . 4.020 3.081 2.770 3.430 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 23 LEU QB 1 24 LEU H 3.380 . 3.380 2.581 2.419 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 23 LEU HB2 1 26 ASP H 5.500 . 5.500 5.438 5.323 5.503 0.003 23 0 "[ . 1 . 2 . 3]" 1 256 1 23 LEU HB3 1 26 ASP H 5.500 . 5.500 5.214 5.021 5.346 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 23 LEU QD 1 26 ASP H 5.440 . 5.440 4.853 4.597 5.040 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 23 LEU MD1 1 24 LEU H 4.690 . 4.690 4.541 4.385 4.741 0.051 29 0 "[ . 1 . 2 . 3]" 1 259 1 23 LEU MD2 1 24 LEU H 4.690 . 4.690 4.666 4.163 4.723 0.033 5 0 "[ . 1 . 2 . 3]" 1 260 1 23 LEU HG 1 24 LEU H 5.010 . 5.010 4.311 4.175 4.902 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 24 LEU H 1 24 LEU HB2 3.220 . 3.220 2.481 2.178 2.589 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 24 LEU H 1 24 LEU HB3 3.220 . 3.220 2.537 2.457 2.913 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 24 LEU H 1 24 LEU MD1 4.280 . 4.280 4.159 4.108 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 24 LEU H 1 24 LEU MD2 4.280 . 4.280 4.223 4.099 4.324 0.044 24 0 "[ . 1 . 2 . 3]" 1 265 1 24 LEU H 1 24 LEU HG 4.840 . 4.840 4.484 4.090 4.641 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 24 LEU H 1 25 ARG H 3.270 . 3.270 2.669 2.601 2.756 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 24 LEU H 1 25 ARG HA 5.500 . 5.500 5.324 5.265 5.405 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 24 LEU H 1 27 MET H 5.020 . 5.020 4.729 4.636 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 24 LEU H 1 27 MET QB 4.930 . 4.930 4.864 4.733 4.934 0.004 2 0 "[ . 1 . 2 . 3]" 1 270 1 24 LEU H 1 57 PHE HZ 5.500 . 5.500 5.476 5.051 5.515 0.015 4 0 "[ . 1 . 2 . 3]" 1 271 1 24 LEU HA 1 24 LEU MD1 4.020 . 4.020 2.251 2.104 3.834 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 24 LEU HA 1 24 LEU QD 2.860 . 2.860 2.144 2.094 2.399 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 24 LEU HA 1 24 LEU MD2 4.020 . 4.020 3.688 2.359 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 24 LEU HA 1 27 MET ME 3.860 . 3.860 3.485 2.879 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 24 LEU HA 1 28 LEU H 4.340 . 4.340 3.830 3.699 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 24 LEU HA 1 28 LEU HG 5.080 . 5.080 4.353 3.993 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 24 LEU QB 1 24 LEU QD 2.630 . 2.630 1.973 1.951 2.001 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 24 LEU QB 1 25 ARG H 3.340 . 3.340 2.558 2.327 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 24 LEU QB 1 25 ARG HA 5.340 . 5.340 4.199 3.853 4.285 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 24 LEU QB 1 26 ASP H 5.340 . 5.340 4.714 4.519 4.780 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 24 LEU QB 1 28 LEU QD 4.350 . 4.350 3.671 3.575 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 24 LEU QB 1 57 PHE QE 3.990 . 3.990 2.361 2.019 2.663 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 24 LEU QB 1 57 PHE HZ 3.800 . 3.800 3.074 2.220 3.188 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 24 LEU QB 1 61 LEU QD 4.030 . 4.030 3.146 2.921 3.292 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 24 LEU HB2 1 25 ARG H 3.890 . 3.890 3.848 3.412 3.903 0.013 21 0 "[ . 1 . 2 . 3]" 1 286 1 24 LEU HB2 1 57 PHE QE 4.650 . 4.650 4.016 3.223 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 24 LEU HB2 1 57 PHE HZ 4.590 . 4.590 4.497 3.758 4.595 0.005 22 0 "[ . 1 . 2 . 3]" 1 288 1 24 LEU HB2 1 61 LEU MD1 6.320 . 6.320 4.272 3.931 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 24 LEU HB2 1 61 LEU MD2 6.320 . 6.320 4.549 4.072 4.865 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 24 LEU HB3 1 25 ARG H 3.890 . 3.890 2.597 2.368 2.685 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 24 LEU HB3 1 57 PHE QE 4.650 . 4.650 2.378 2.040 2.687 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 24 LEU HB3 1 57 PHE HZ 4.590 . 4.590 3.131 2.236 3.257 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 24 LEU HB3 1 61 LEU MD1 6.320 . 6.320 3.529 3.223 3.686 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 24 LEU HB3 1 61 LEU MD2 6.320 . 6.320 4.047 3.885 4.240 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 24 LEU QD 1 25 ARG H 4.150 . 4.150 3.941 3.558 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 24 LEU QD 1 26 ASP H 5.440 . 5.440 5.088 4.890 5.163 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 24 LEU QD 1 27 MET H 4.410 . 4.410 4.222 4.128 4.417 0.007 24 0 "[ . 1 . 2 . 3]" 1 298 1 24 LEU QD 1 27 MET QB 3.730 . 3.730 2.685 2.513 3.080 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 24 LEU QD 1 27 MET ME 2.980 . 2.980 2.061 1.966 2.369 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 24 LEU QD 1 27 MET QG 4.190 . 4.190 3.898 3.604 4.266 0.076 24 0 "[ . 1 . 2 . 3]" 1 301 1 24 LEU QD 1 28 LEU H 3.970 . 3.970 3.357 3.235 3.514 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 24 LEU QD 1 28 LEU HG 3.660 . 3.660 2.405 2.186 2.627 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 24 LEU QD 1 29 LEU H 5.440 . 5.440 5.529 5.293 5.652 0.212 4 0 "[ . 1 . 2 . 3]" 1 304 1 24 LEU QD 1 57 PHE QE 3.550 . 3.550 3.030 2.630 3.485 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 24 LEU QD 1 57 PHE HZ 3.250 . 3.250 2.677 1.751 3.174 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 24 LEU QD 1 61 LEU QD 2.910 . 2.910 2.018 1.928 2.155 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 24 LEU MD1 1 25 ARG H 4.780 . 4.780 4.415 4.344 4.488 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 24 LEU MD1 1 27 MET ME 4.110 . 4.110 2.190 1.970 4.166 0.056 24 0 "[ . 1 . 2 . 3]" 1 309 1 24 LEU MD1 1 57 PHE QE 4.550 . 4.550 4.366 2.823 4.576 0.026 21 0 "[ . 1 . 2 . 3]" 1 310 1 24 LEU MD1 1 57 PHE HZ 4.230 . 4.230 3.682 2.030 3.959 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 24 LEU MD2 1 25 ARG H 4.780 . 4.780 4.452 3.768 4.782 0.002 11 0 "[ . 1 . 2 . 3]" 1 312 1 24 LEU MD2 1 27 MET ME 4.110 . 4.110 4.046 2.202 4.231 0.121 1 0 "[ . 1 . 2 . 3]" 1 313 1 24 LEU MD2 1 57 PHE QE 4.550 . 4.550 3.119 2.713 3.665 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 24 LEU MD2 1 57 PHE HZ 4.230 . 4.230 2.770 1.912 3.487 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 24 LEU HG 1 28 LEU H 5.460 . 5.460 4.574 4.202 5.511 0.051 24 0 "[ . 1 . 2 . 3]" 1 316 1 24 LEU HG 1 57 PHE QE 4.570 . 4.570 3.408 3.198 4.622 0.052 24 0 "[ . 1 . 2 . 3]" 1 317 1 24 LEU HG 1 57 PHE HZ 3.830 . 3.830 2.260 1.991 3.958 0.128 24 0 "[ . 1 . 2 . 3]" 1 318 1 25 ARG H 1 25 ARG HB2 3.360 . 3.360 2.509 2.420 2.686 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 25 ARG H 1 25 ARG QB 2.940 . 2.940 2.169 2.128 2.219 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 25 ARG H 1 25 ARG HB3 3.360 . 3.360 2.386 2.247 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 25 ARG H 1 25 ARG QD 4.570 . 4.570 4.543 4.352 4.634 0.064 21 0 "[ . 1 . 2 . 3]" 1 322 1 25 ARG H 1 25 ARG HE 5.420 . 5.420 4.273 3.861 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 25 ARG H 1 25 ARG QG 4.110 . 4.110 4.002 3.960 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 25 ARG H 1 26 ASP H 3.310 . 3.310 2.705 2.482 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 25 ARG H 1 26 ASP HB3 5.340 . 5.340 5.281 5.063 5.379 0.039 4 0 "[ . 1 . 2 . 3]" 1 326 1 25 ARG H 1 27 MET H 4.310 . 4.310 4.293 4.132 4.324 0.014 20 0 "[ . 1 . 2 . 3]" 1 327 1 25 ARG H 1 27 MET QB 5.110 . 5.110 5.026 4.902 5.092 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 25 ARG H 1 28 LEU QD 4.870 . 4.870 4.146 4.028 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 25 ARG H 1 29 LEU QD 5.440 . 5.440 5.552 5.460 5.731 0.291 20 0 "[ . 1 . 2 . 3]" 1 330 1 25 ARG H 1 49 LEU QD 4.440 . 4.440 4.440 4.351 4.514 0.074 5 0 "[ . 1 . 2 . 3]" 1 331 1 25 ARG H 1 54 LEU QD 5.230 . 5.230 4.013 3.767 4.236 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 25 ARG H 1 57 PHE QD 5.010 . 5.010 4.172 4.040 4.329 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 25 ARG H 1 57 PHE QE 3.890 . 3.890 2.985 2.786 3.158 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 25 ARG H 1 57 PHE HZ 4.490 . 4.490 4.004 3.729 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 25 ARG H 1 61 LEU MD1 5.500 . 5.500 5.036 4.871 5.272 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 25 ARG H 1 61 LEU MD2 5.500 . 5.500 5.573 5.524 5.652 0.152 20 0 "[ . 1 . 2 . 3]" 1 337 1 25 ARG HA 1 25 ARG HE 5.500 . 5.500 4.633 4.277 5.144 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 25 ARG HA 1 25 ARG QG 3.740 . 3.740 2.592 2.529 2.762 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 25 ARG HA 1 28 LEU H 4.140 . 4.140 3.702 3.564 3.895 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 25 ARG HA 1 28 LEU HB2 5.100 . 5.100 2.724 2.583 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 25 ARG HA 1 28 LEU QB 4.240 . 4.240 2.692 2.552 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 25 ARG HA 1 28 LEU HB3 5.100 . 5.100 4.209 3.969 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 25 ARG HA 1 28 LEU QD 3.840 . 3.840 2.726 2.427 2.997 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 25 ARG HA 1 29 LEU H 4.680 . 4.680 4.048 3.929 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 25 ARG HA 1 29 LEU MD1 5.500 . 5.500 4.376 4.220 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 25 ARG HA 1 29 LEU QD 4.350 . 4.350 4.172 4.053 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 25 ARG HA 1 29 LEU MD2 5.500 . 5.500 5.267 5.131 5.376 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 25 ARG HA 1 29 LEU HG 5.500 . 5.500 4.081 3.940 4.190 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 25 ARG HA 1 38 LEU MD2 5.500 . 5.500 5.261 5.048 5.444 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 25 ARG HA 1 49 LEU MD1 4.390 . 4.390 2.694 2.184 4.445 0.055 9 0 "[ . 1 . 2 . 3]" 1 351 1 25 ARG HA 1 49 LEU QD 3.250 . 3.250 2.219 2.060 2.316 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 25 ARG HA 1 49 LEU MD2 4.390 . 4.390 3.889 2.063 4.400 0.010 23 0 "[ . 1 . 2 . 3]" 1 353 1 25 ARG HA 1 57 PHE QE 4.880 . 4.880 3.481 3.333 3.638 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 25 ARG HA 1 57 PHE HZ 4.690 . 4.690 3.440 3.228 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 25 ARG QB 1 25 ARG HE 3.710 . 3.710 2.080 1.815 2.486 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 25 ARG QB 1 26 ASP H 3.300 . 3.300 2.474 2.304 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 25 ARG QB 1 29 LEU QD 5.100 . 5.100 3.930 3.718 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 25 ARG QB 1 49 LEU QD 4.570 . 4.570 3.258 3.045 3.452 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 25 ARG QB 1 54 LEU QD 3.970 . 3.970 2.577 2.270 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 25 ARG QB 1 57 PHE QD 5.080 . 5.080 2.834 2.720 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 25 ARG QB 1 57 PHE QE 4.390 . 4.390 3.085 2.960 3.334 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 25 ARG HB2 1 25 ARG HE 4.450 . 4.450 3.560 3.238 3.832 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 25 ARG HB2 1 57 PHE QE 5.110 . 5.110 3.159 3.027 3.419 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 25 ARG HB3 1 25 ARG HE 4.450 . 4.450 2.097 1.822 2.547 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 25 ARG HB3 1 57 PHE QE 5.110 . 5.110 4.329 4.083 4.626 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 25 ARG QD 1 26 ASP H 4.690 . 4.690 3.898 2.865 4.693 0.003 24 0 "[ . 1 . 2 . 3]" 1 367 1 25 ARG QD 1 29 LEU QD 3.630 . 3.630 2.439 1.868 3.046 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 25 ARG QD 1 49 LEU QD 4.020 . 4.020 3.579 3.142 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 25 ARG QD 1 54 LEU QD 3.950 . 3.950 2.968 1.902 4.010 0.060 20 0 "[ . 1 . 2 . 3]" 1 370 1 25 ARG HD2 1 26 ASP H 5.500 . 5.500 4.372 2.893 5.517 0.017 24 0 "[ . 1 . 2 . 3]" 1 371 1 25 ARG HD3 1 26 ASP H 5.500 . 5.500 4.859 4.601 5.081 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 25 ARG HE 1 25 ARG QG 3.790 . 3.790 2.820 2.409 3.270 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 25 ARG HE 1 26 ASP H 4.490 . 4.490 3.159 2.650 4.489 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 25 ARG HE 1 26 ASP HA 5.290 . 5.290 3.815 3.015 5.294 0.004 28 0 "[ . 1 . 2 . 3]" 1 375 1 25 ARG HE 1 29 LEU QD 4.440 . 4.440 3.647 2.672 4.507 0.067 21 0 "[ . 1 . 2 . 3]" 1 376 1 25 ARG HE 1 49 LEU QD 5.440 . 5.440 4.876 4.355 5.449 0.009 21 0 "[ . 1 . 2 . 3]" 1 377 1 25 ARG HE 1 54 LEU HA 5.280 . 5.280 5.105 3.609 5.328 0.048 4 0 "[ . 1 . 2 . 3]" 1 378 1 25 ARG HE 1 54 LEU QD 4.210 . 4.210 3.396 2.052 4.035 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 25 ARG HE 1 54 LEU HG 5.460 . 5.460 4.731 3.220 5.465 0.005 6 0 "[ . 1 . 2 . 3]" 1 380 1 25 ARG QG 1 26 ASP H 4.060 . 4.060 3.858 3.405 4.093 0.033 9 0 "[ . 1 . 2 . 3]" 1 381 1 25 ARG QG 1 29 LEU MD1 4.600 . 4.600 2.530 2.129 3.202 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 25 ARG QG 1 29 LEU QD 3.260 . 3.260 2.491 2.116 3.112 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 25 ARG QG 1 29 LEU MD2 4.600 . 4.600 3.791 3.615 4.231 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 25 ARG QG 1 29 LEU HG 4.710 . 4.710 3.008 2.701 3.713 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 25 ARG QG 1 49 LEU QD 3.090 . 3.090 2.114 2.038 2.296 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 25 ARG QH1 1 54 LEU QD . . 4.720 3.940 3.457 4.767 0.047 21 0 "[ . 1 . 2 . 3]" 1 387 1 26 ASP H 1 26 ASP HB2 3.380 . 3.380 2.177 1.884 2.391 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 26 ASP H 1 26 ASP HB3 3.150 . 3.150 2.833 2.612 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 26 ASP H 1 27 MET H 3.170 . 3.170 2.730 2.659 2.805 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 26 ASP H 1 27 MET HA 5.500 . 5.500 5.380 5.331 5.438 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 26 ASP H 1 27 MET QB 4.840 . 4.840 4.434 4.343 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 26 ASP H 1 28 LEU H 4.540 . 4.540 4.190 4.071 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 26 ASP H 1 29 LEU HB2 5.500 . 5.500 5.260 5.091 5.422 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 26 ASP H 1 29 LEU QD 4.690 . 4.690 4.253 4.107 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 26 ASP H 1 29 LEU HG 5.500 . 5.500 5.423 5.319 5.502 0.002 11 0 "[ . 1 . 2 . 3]" 1 396 1 26 ASP H 1 49 LEU QD 5.140 . 5.140 4.655 4.524 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 26 ASP HA 1 28 LEU H 5.190 . 5.190 4.559 4.435 4.712 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 26 ASP HA 1 29 LEU H 4.170 . 4.170 3.569 3.423 3.735 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 26 ASP HA 1 29 LEU HB2 4.250 . 4.250 2.859 2.640 3.051 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 26 ASP HA 1 29 LEU HB3 4.730 . 4.730 4.475 4.243 4.682 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 26 ASP HA 1 29 LEU QD 3.580 . 3.580 2.502 2.295 2.738 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 26 ASP HA 1 30 ALA H 5.130 . 5.130 4.271 4.107 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 26 ASP HA 1 49 LEU QD 5.090 . 5.090 4.572 4.347 4.751 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 26 ASP HB2 1 27 MET H 3.870 . 3.870 3.528 2.998 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 26 ASP HB3 1 27 MET H 3.120 . 3.120 2.528 2.419 2.639 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 27 MET H 1 27 MET QB 2.940 . 2.940 2.215 2.170 2.243 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 27 MET H 1 27 MET ME 4.720 . 4.720 4.580 4.380 4.724 0.004 5 0 "[ . 1 . 2 . 3]" 1 408 1 27 MET H 1 27 MET HG2 4.630 . 4.630 4.460 4.349 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 27 MET H 1 27 MET HG3 4.630 . 4.630 4.465 4.379 4.557 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 27 MET H 1 28 LEU H 3.160 . 3.160 2.720 2.682 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 27 MET H 1 28 LEU HG 5.500 . 5.500 5.076 4.720 5.367 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 27 MET H 1 30 ALA H 4.860 . 4.860 4.827 4.745 4.874 0.014 29 0 "[ . 1 . 2 . 3]" 1 413 1 27 MET HA 1 27 MET HG2 4.220 . 4.220 2.776 2.394 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 27 MET HA 1 27 MET QG 3.560 . 3.560 2.408 2.362 2.466 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 27 MET HA 1 27 MET HG3 4.220 . 4.220 2.991 2.472 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 27 MET HA 1 29 LEU H 5.090 . 5.090 4.544 4.476 4.621 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 27 MET HA 1 30 ALA H 3.890 . 3.890 3.572 3.466 3.694 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 27 MET HA 1 30 ALA MB 3.240 . 3.240 2.757 2.578 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 27 MET HA 1 31 ASN HD22 5.500 . 5.500 5.510 5.441 5.532 0.032 20 0 "[ . 1 . 2 . 3]" 1 420 1 27 MET QB 1 28 LEU H 3.450 . 3.450 2.372 2.242 2.543 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 27 MET QB 1 29 LEU H 5.450 . 5.450 4.696 4.625 4.785 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 27 MET QB 1 30 ALA H 5.500 . 5.500 4.980 4.898 5.049 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 27 MET QB 1 30 ALA MB 4.970 . 4.970 4.528 4.380 4.627 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 27 MET QB 1 31 ASN H 5.500 . 5.500 5.524 5.448 5.581 0.081 21 0 "[ . 1 . 2 . 3]" 1 425 1 27 MET QB 1 31 ASN HB2 5.030 . 5.030 4.943 4.800 5.050 0.020 24 0 "[ . 1 . 2 . 3]" 1 426 1 27 MET QB 1 31 ASN HD22 5.500 . 5.500 5.341 5.035 5.484 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 27 MET ME 1 28 LEU H 4.560 . 4.560 3.566 3.056 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 27 MET ME 1 28 LEU HA 4.840 . 4.840 3.618 2.989 4.294 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 27 MET QG 1 28 LEU H 4.070 . 4.070 3.875 3.532 4.145 0.075 21 0 "[ . 1 . 2 . 3]" 1 430 1 27 MET QG 1 30 ALA H 5.340 . 5.340 5.016 4.746 5.344 0.004 13 0 "[ . 1 . 2 . 3]" 1 431 1 27 MET QG 1 31 ASN HD21 5.340 . 5.340 4.978 4.610 5.358 0.018 21 0 "[ . 1 . 2 . 3]" 1 432 1 27 MET QG 1 31 ASN HD22 4.980 . 4.980 3.474 3.047 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 27 MET HG2 1 28 LEU H 4.810 . 4.810 4.152 3.652 4.620 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 27 MET HG3 1 28 LEU H 4.810 . 4.810 4.749 4.636 4.828 0.018 2 0 "[ . 1 . 2 . 3]" 1 435 1 28 LEU H 1 28 LEU HB2 3.720 . 3.720 2.208 2.110 2.345 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 28 LEU H 1 28 LEU QB 2.970 . 2.970 2.186 2.092 2.314 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 28 LEU H 1 28 LEU HB3 3.720 . 3.720 3.507 3.435 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 28 LEU H 1 28 LEU MD1 3.960 . 3.960 3.343 3.233 3.452 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 28 LEU H 1 28 LEU QD 3.450 . 3.450 3.157 3.100 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 28 LEU H 1 28 LEU MD2 3.960 . 3.960 3.892 3.637 4.002 0.042 5 0 "[ . 1 . 2 . 3]" 1 441 1 28 LEU H 1 28 LEU HG 3.370 . 3.370 2.704 2.413 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 28 LEU H 1 29 LEU H 3.200 . 3.200 2.748 2.645 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 28 LEU H 1 29 LEU HB2 5.500 . 5.500 4.811 4.647 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 28 LEU H 1 29 LEU QD 5.440 . 5.440 4.950 4.813 5.081 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 28 LEU H 1 30 ALA H 4.170 . 4.170 4.100 4.012 4.173 0.003 8 0 "[ . 1 . 2 . 3]" 1 446 1 28 LEU H 1 30 ALA MB 5.400 . 5.400 4.897 4.801 5.000 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 28 LEU H 1 31 ASN H 5.230 . 5.230 4.799 4.752 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 28 LEU H 1 49 LEU MD1 5.100 . 5.100 4.087 3.732 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 28 LEU H 1 49 LEU QD 4.170 . 4.170 3.714 3.596 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 28 LEU H 1 49 LEU MD2 5.100 . 5.100 4.575 3.718 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 28 LEU HA 1 28 LEU MD1 3.600 . 3.600 3.724 3.657 3.792 0.192 4 0 "[ . 1 . 2 . 3]" 1 452 1 28 LEU HA 1 28 LEU QD 2.660 . 2.660 2.077 2.046 2.119 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 28 LEU HA 1 28 LEU MD2 3.600 . 3.600 2.088 2.056 2.132 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 28 LEU HA 1 28 LEU HG 3.770 . 3.770 2.610 2.409 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 28 LEU HA 1 31 ASN H 3.580 . 3.580 3.290 3.210 3.363 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 28 LEU HA 1 31 ASN HB2 4.420 . 4.420 3.724 3.497 3.967 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 28 LEU HA 1 31 ASN HD22 5.440 . 5.440 4.980 4.445 5.296 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 28 LEU HA 1 34 GLU HB2 4.200 . 4.200 3.783 3.495 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 28 LEU QB 1 28 LEU QD 2.650 . 2.650 1.871 1.852 1.896 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 28 LEU QB 1 29 LEU H 3.220 . 3.220 2.563 2.505 2.615 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 28 LEU QB 1 30 ALA H 4.530 . 4.530 4.518 4.457 4.544 0.014 2 0 "[ . 1 . 2 . 3]" 1 462 1 28 LEU QB 1 31 ASN H 5.240 . 5.240 4.515 4.419 4.593 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 28 LEU QB 1 49 LEU QD 3.080 . 3.080 1.853 1.777 2.032 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 28 LEU HB2 1 29 LEU H 3.800 . 3.800 2.673 2.580 2.784 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 28 LEU HB2 1 30 ALA H 5.320 . 5.320 4.941 4.830 5.017 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 28 LEU HB2 1 49 LEU MD1 4.470 . 4.470 2.454 2.148 3.355 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 28 LEU HB2 1 49 LEU MD2 4.470 . 4.470 2.891 2.118 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 28 LEU HB3 1 29 LEU H 3.800 . 3.800 3.305 3.163 3.453 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 28 LEU HB3 1 30 ALA H 5.320 . 5.320 5.234 5.157 5.327 0.007 7 0 "[ . 1 . 2 . 3]" 1 470 1 28 LEU HB3 1 49 LEU MD1 4.470 . 4.470 2.519 2.300 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 28 LEU HB3 1 49 LEU MD2 4.470 . 4.470 2.167 1.984 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 28 LEU QD 1 29 LEU H 4.050 . 4.050 4.040 4.009 4.081 0.031 29 0 "[ . 1 . 2 . 3]" 1 473 1 28 LEU QD 1 30 ALA H 5.440 . 5.440 5.314 5.262 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 28 LEU QD 1 31 ASN H 5.090 . 5.090 4.566 4.410 4.688 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 28 LEU QD 1 31 ASN HB2 5.010 . 5.010 4.663 4.471 4.907 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 28 LEU QD 1 34 GLU H 4.920 . 4.920 4.450 4.250 4.684 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 28 LEU QD 1 34 GLU HB3 3.490 . 3.490 1.969 1.925 2.049 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 28 LEU QD 1 34 GLU QG 3.950 . 3.950 3.479 3.045 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 28 LEU QD 1 35 LEU H 4.370 . 4.370 3.329 3.081 3.740 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 28 LEU QD 1 35 LEU HA 3.020 . 3.020 2.414 2.155 2.822 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 28 LEU QD 1 36 SER H 5.190 . 5.190 4.808 4.614 5.132 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 28 LEU QD 1 49 LEU QD 2.990 . 2.990 2.129 1.875 2.639 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 28 LEU QD 1 57 PHE QE 4.260 . 4.260 2.422 2.178 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 28 LEU QD 1 57 PHE HZ 3.580 . 3.580 2.241 2.152 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 28 LEU MD1 1 29 LEU H 4.730 . 4.730 4.411 4.325 4.495 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 28 LEU MD2 1 29 LEU H 4.730 . 4.730 4.693 4.562 4.758 0.028 15 0 "[ . 1 . 2 . 3]" 1 487 1 28 LEU HG 1 29 LEU H 4.970 . 4.970 4.679 4.532 4.798 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 28 LEU HG 1 57 PHE HZ 5.420 . 5.420 4.509 4.245 4.712 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 29 LEU H 1 29 LEU HB2 3.060 . 3.060 2.351 2.305 2.389 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 29 LEU H 1 29 LEU HB3 3.610 . 3.610 3.596 3.579 3.611 0.001 29 0 "[ . 1 . 2 . 3]" 1 491 1 29 LEU H 1 29 LEU MD1 3.920 . 3.920 3.477 3.359 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 29 LEU H 1 29 LEU QD 3.380 . 3.380 3.222 3.145 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 29 LEU H 1 29 LEU MD2 3.920 . 3.920 3.811 3.715 3.899 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 29 LEU H 1 29 LEU HG 3.500 . 3.500 2.587 2.449 2.702 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 29 LEU H 1 30 ALA H 3.070 . 3.070 2.609 2.588 2.638 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 29 LEU H 1 30 ALA HA 5.500 . 5.500 5.284 5.248 5.311 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 29 LEU H 1 30 ALA MB 4.610 . 4.610 4.306 4.240 4.335 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 29 LEU H 1 31 ASN H 4.100 . 4.100 3.945 3.895 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 29 LEU H 1 35 LEU QD 5.090 . 5.090 4.701 4.568 4.972 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 29 LEU H 1 49 LEU MD1 4.240 . 4.240 2.998 2.707 3.488 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 29 LEU H 1 49 LEU QD 3.720 . 3.720 2.777 2.632 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 29 LEU H 1 49 LEU MD2 4.240 . 4.240 3.532 2.755 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 29 LEU HA 1 29 LEU MD1 4.040 . 4.040 3.887 3.865 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 29 LEU HA 1 29 LEU QD 2.670 . 2.670 2.168 2.133 2.198 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 29 LEU HA 1 29 LEU MD2 4.040 . 4.040 2.179 2.143 2.209 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 29 LEU HA 1 29 LEU HG 3.180 . 3.180 2.864 2.815 2.943 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 29 LEU HA 1 30 ALA H 3.520 . 3.520 3.527 3.522 3.538 0.018 20 0 "[ . 1 . 2 . 3]" 1 508 1 29 LEU HA 1 49 LEU MD1 4.920 . 4.920 3.466 2.546 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 29 LEU HA 1 49 LEU QD 3.760 . 3.760 2.844 2.496 3.073 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 29 LEU HA 1 49 LEU MD2 4.920 . 4.920 3.185 2.660 3.873 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 29 LEU HA 1 49 LEU HG 5.500 . 5.500 4.324 3.785 5.127 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 29 LEU HB2 1 29 LEU QD 2.970 . 2.970 2.192 2.166 2.209 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 29 LEU HB2 1 30 ALA H 3.630 . 3.630 2.727 2.654 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 29 LEU HB2 1 31 ASN H 5.500 . 5.500 4.884 4.810 4.991 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 29 LEU HB2 1 49 LEU QD 5.150 . 5.150 3.856 3.644 4.026 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 29 LEU HB3 1 29 LEU MD1 3.330 . 3.330 2.470 2.405 2.539 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 29 LEU HB3 1 29 LEU QD 2.860 . 2.860 2.130 2.122 2.140 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 29 LEU HB3 1 29 LEU MD2 3.330 . 3.330 2.327 2.300 2.366 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 29 LEU HB3 1 30 ALA H 3.940 . 3.940 3.569 3.459 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 29 LEU HB3 1 31 ASN H 5.500 . 5.500 5.212 5.126 5.379 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 29 LEU QD 1 30 ALA H 4.590 . 4.590 4.145 4.089 4.203 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 29 LEU QD 1 31 ASN H 5.440 . 5.440 5.226 5.154 5.373 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 29 LEU QD 1 49 LEU QD 2.950 . 2.950 2.422 2.072 2.574 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 29 LEU QD 1 49 LEU HG 4.440 . 4.440 2.824 2.288 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 29 LEU QD 1 50 LEU H 5.440 . 5.440 4.910 4.632 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 29 LEU MD1 1 30 ALA H 5.500 . 5.500 4.516 4.429 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 29 LEU MD2 1 30 ALA H 5.500 . 5.500 4.825 4.793 4.850 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 29 LEU HG 1 49 LEU MD1 4.330 . 4.330 2.234 2.061 2.768 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 29 LEU HG 1 49 LEU QD 3.510 . 3.510 2.084 2.016 2.146 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 29 LEU HG 1 49 LEU MD2 4.330 . 4.330 3.124 2.096 3.572 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 29 LEU HG 1 49 LEU HG 5.240 . 5.240 3.353 2.682 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 30 ALA H 1 30 ALA MB 2.750 . 2.750 2.241 2.200 2.259 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 30 ALA H 1 31 ASN H 3.010 . 3.010 2.575 2.532 2.632 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 30 ALA H 1 31 ASN HA 5.270 . 5.270 5.165 5.129 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 30 ALA H 1 31 ASN HB2 4.790 . 4.790 4.540 4.445 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 30 ALA H 1 31 ASN HB3 5.500 . 5.500 4.890 4.815 4.956 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 30 ALA H 1 49 LEU MD1 5.500 . 5.500 5.157 4.974 5.389 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 30 ALA H 1 49 LEU MD2 5.500 . 5.500 5.347 5.042 5.519 0.019 2 0 "[ . 1 . 2 . 3]" 1 539 1 30 ALA MB 1 31 ASN H 3.520 . 3.520 3.148 2.839 3.319 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 30 ALA MB 1 31 ASN HB2 4.780 . 4.780 3.686 3.334 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 30 ALA MB 1 31 ASN HD22 5.310 . 5.310 5.147 4.849 5.314 0.004 23 0 "[ . 1 . 2 . 3]" 1 542 1 31 ASN H 1 31 ASN HB2 3.320 . 3.320 2.763 2.663 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 31 ASN H 1 31 ASN HB3 3.560 . 3.560 2.672 2.623 2.743 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 31 ASN H 1 31 ASN HD22 5.200 . 5.200 4.878 4.761 5.002 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 31 ASN H 1 32 PRO HA 5.190 . 5.190 4.836 4.724 4.955 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 31 ASN H 1 32 PRO HD2 4.870 . 4.870 4.756 4.655 4.873 0.003 24 0 "[ . 1 . 2 . 3]" 1 547 1 31 ASN H 1 32 PRO QD 4.250 . 4.250 4.083 3.978 4.212 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 31 ASN H 1 32 PRO HD3 4.870 . 4.870 4.446 4.318 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 31 ASN H 1 34 GLU H 5.500 . 5.500 5.324 5.238 5.419 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 31 ASN H 1 34 GLU HB2 5.200 . 5.200 4.783 4.500 5.071 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 31 ASN H 1 34 GLU HB3 5.500 . 5.500 5.362 4.822 5.530 0.030 20 0 "[ . 1 . 2 . 3]" 1 552 1 31 ASN H 1 35 LEU H 5.160 . 5.160 4.679 4.548 4.824 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 31 ASN H 1 35 LEU HB2 5.500 . 5.500 5.520 5.505 5.542 0.042 2 0 "[ . 1 . 2 . 3]" 1 554 1 31 ASN H 1 35 LEU HB3 5.500 . 5.500 4.070 4.043 4.111 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 31 ASN H 1 35 LEU QD 4.630 . 4.630 3.557 3.461 3.695 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 31 ASN HA 1 31 ASN HD21 4.660 . 4.660 4.285 4.187 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 31 ASN HA 1 31 ASN HD22 5.250 . 5.250 3.889 3.740 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 31 ASN HA 1 32 PRO HD2 3.680 . 3.680 2.092 2.062 2.131 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 31 ASN HA 1 32 PRO HD3 3.680 . 3.680 2.787 2.704 2.864 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 31 ASN HA 1 32 PRO HG2 4.570 . 4.570 4.218 4.158 4.278 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 31 ASN HA 1 32 PRO HG3 4.570 . 4.570 4.582 4.574 4.604 0.034 20 0 "[ . 1 . 2 . 3]" 1 562 1 31 ASN HA 1 34 GLU H 5.000 . 5.000 4.360 4.279 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 31 ASN HB2 1 31 ASN HD21 3.600 . 3.600 3.441 3.414 3.466 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 31 ASN HB2 1 32 PRO QD 4.500 . 4.500 4.276 4.231 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 31 ASN HB2 1 34 GLU H 4.580 . 4.580 4.446 4.374 4.568 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 31 ASN HB2 1 34 GLU HB2 4.310 . 4.310 3.488 3.361 3.667 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 31 ASN HB2 1 34 GLU HB3 4.540 . 4.540 4.538 4.200 4.595 0.055 20 0 "[ . 1 . 2 . 3]" 1 568 1 31 ASN HB2 1 34 GLU QG 4.580 . 4.580 4.260 3.803 4.595 0.015 5 0 "[ . 1 . 2 . 3]" 1 569 1 31 ASN HB2 1 35 LEU H 5.500 . 5.500 5.060 4.919 5.281 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 31 ASN HB3 1 32 PRO QD 4.460 . 4.460 4.414 4.358 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 31 ASN HB3 1 34 GLU H 4.040 . 4.040 3.187 3.114 3.328 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 31 ASN HB3 1 34 GLU HB2 4.090 . 4.090 2.178 1.950 2.427 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 31 ASN HB3 1 34 GLU HB3 4.330 . 4.330 3.098 2.635 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 31 ASN HB3 1 34 GLU HG2 4.810 . 4.810 4.414 3.741 4.836 0.026 29 0 "[ . 1 . 2 . 3]" 1 575 1 31 ASN HB3 1 34 GLU HG3 4.810 . 4.810 4.007 3.517 4.846 0.036 24 0 "[ . 1 . 2 . 3]" 1 576 1 31 ASN HD21 1 34 GLU H 5.490 . 5.490 3.948 3.644 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 31 ASN HD21 1 34 GLU QG 4.610 . 4.610 3.157 2.716 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 31 ASN HD22 1 33 HIS QB 5.500 . 5.500 5.165 4.974 5.371 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 31 ASN HD22 1 34 GLU H 5.200 . 5.200 4.525 4.275 4.646 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 31 ASN HD22 1 34 GLU HB2 5.500 . 5.500 3.408 3.094 3.676 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 31 ASN HD22 1 34 GLU QG 4.360 . 4.360 3.251 2.797 3.879 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 32 PRO HA 1 34 GLU H 4.880 . 4.880 4.526 4.388 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 32 PRO HA 1 35 LEU H 5.070 . 5.070 3.692 3.541 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 32 PRO HA 1 35 LEU HB3 3.720 . 3.720 3.703 3.466 3.733 0.013 20 0 "[ . 1 . 2 . 3]" 1 585 1 32 PRO HA 1 35 LEU MD1 5.500 . 5.500 3.411 3.362 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 32 PRO HA 1 35 LEU QD 3.980 . 3.980 2.421 2.317 2.604 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 32 PRO HA 1 35 LEU MD2 5.500 . 5.500 2.479 2.346 2.695 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 32 PRO HA 1 36 SER H 4.320 . 4.320 4.233 4.099 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 32 PRO QB 1 35 LEU H 5.340 . 5.340 5.177 5.043 5.275 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 32 PRO QB 1 35 LEU QD 4.760 . 4.760 3.405 3.303 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 32 PRO QB 1 36 SER H 5.340 . 5.340 5.141 4.962 5.242 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 33 HIS H 1 34 GLU H 3.990 . 3.990 2.445 2.397 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 33 HIS HA 1 35 LEU H 4.730 . 4.730 4.554 4.366 4.719 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 33 HIS HA 1 36 SER H 3.770 . 3.770 3.526 3.381 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 33 HIS HA 1 36 SER HA 5.500 . 5.500 5.474 5.287 5.516 0.016 5 0 "[ . 1 . 2 . 3]" 1 596 1 33 HIS HA 1 37 LEU H 4.800 . 4.800 4.261 4.048 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 33 HIS QB 1 34 GLU H 3.350 . 3.350 2.517 2.393 2.620 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 33 HIS QB 1 34 GLU HA 4.720 . 4.720 4.046 3.958 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 33 HIS QB 1 34 GLU HB2 4.890 . 4.890 3.996 3.809 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 33 HIS QB 1 34 GLU HB3 5.350 . 5.350 5.310 5.181 5.359 0.009 9 0 "[ . 1 . 2 . 3]" 1 601 1 33 HIS QB 1 34 GLU HG2 5.360 . 5.360 4.151 3.367 5.068 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 33 HIS QB 1 34 GLU QG 4.560 . 4.560 3.960 3.315 4.571 0.011 24 0 "[ . 1 . 2 . 3]" 1 603 1 33 HIS QB 1 34 GLU HG3 5.360 . 5.360 5.141 4.836 5.378 0.018 5 0 "[ . 1 . 2 . 3]" 1 604 1 33 HIS QB 1 35 LEU H 4.890 . 4.890 4.672 4.559 4.758 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 33 HIS QB 1 36 SER H 5.210 . 5.210 4.904 4.796 4.949 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 33 HIS QB 1 37 LEU H 5.500 . 5.500 5.295 5.163 5.421 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 33 HIS QB 1 37 LEU MD2 5.230 . 5.230 4.471 3.998 4.753 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 33 HIS HD2 1 34 GLU H 5.500 . 5.500 4.030 3.780 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 33 HIS HD2 1 37 LEU H 5.460 . 5.460 4.995 3.527 5.467 0.007 16 0 "[ . 1 . 2 . 3]" 1 610 1 33 HIS HD2 1 37 LEU MD1 5.500 . 5.500 5.338 4.982 5.538 0.038 8 0 "[ . 1 . 2 . 3]" 1 611 1 33 HIS HD2 1 37 LEU MD2 4.490 . 4.490 2.746 2.362 3.317 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 34 GLU H 1 34 GLU HB2 3.340 . 3.340 2.042 1.950 2.103 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 34 GLU H 1 34 GLU HB3 3.550 . 3.550 3.325 3.065 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 34 GLU H 1 34 GLU HG2 4.210 . 4.210 3.462 2.792 4.041 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 34 GLU H 1 34 GLU QG 3.650 . 3.650 3.270 2.733 3.667 0.017 24 0 "[ . 1 . 2 . 3]" 1 616 1 34 GLU H 1 34 GLU HG3 4.210 . 4.210 4.073 3.819 4.227 0.017 5 0 "[ . 1 . 2 . 3]" 1 617 1 34 GLU H 1 35 LEU H 3.100 . 3.100 2.512 2.397 2.567 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 34 GLU H 1 35 LEU HB3 4.580 . 4.580 4.539 4.373 4.584 0.004 15 0 "[ . 1 . 2 . 3]" 1 619 1 34 GLU H 1 35 LEU MD1 5.500 . 5.500 5.607 5.533 5.730 0.230 2 0 "[ . 1 . 2 . 3]" 1 620 1 34 GLU H 1 35 LEU MD2 5.500 . 5.500 5.172 5.100 5.302 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 34 GLU H 1 36 SER H 4.220 . 4.220 3.836 3.695 3.935 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 34 GLU H 1 37 LEU H 5.280 . 5.280 4.769 4.684 4.955 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 34 GLU H 1 37 LEU MD2 4.810 . 4.810 4.633 4.266 4.826 0.016 19 0 "[ . 1 . 2 . 3]" 1 624 1 34 GLU HA 1 34 GLU QG 3.650 . 3.650 2.454 2.196 2.744 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 34 GLU HA 1 37 LEU H 3.950 . 3.950 3.330 3.166 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 34 GLU HA 1 37 LEU HB3 4.900 . 4.900 3.798 3.567 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 34 GLU HA 1 37 LEU MD2 3.330 . 3.330 2.523 2.178 2.719 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 34 GLU HA 1 37 LEU HG 4.150 . 4.150 2.201 2.010 2.756 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 34 GLU HB2 1 35 LEU H 3.490 . 3.490 2.974 2.748 3.265 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 34 GLU HB2 1 36 SER H 5.320 . 5.320 5.031 4.852 5.269 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 34 GLU HB3 1 35 LEU H 3.760 . 3.760 3.140 2.756 3.373 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 34 GLU HB3 1 36 SER H 5.500 . 5.500 5.087 4.873 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 34 GLU HB3 1 37 LEU MD1 5.250 . 5.250 4.702 4.418 5.029 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 34 GLU HB3 1 37 LEU MD2 5.500 . 5.500 4.493 4.282 4.725 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 35 LEU H 1 35 LEU HB3 2.990 . 2.990 2.187 2.098 2.242 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 35 LEU H 1 35 LEU MD1 4.320 . 4.320 3.900 3.831 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 35 LEU H 1 35 LEU QD 3.770 . 3.770 3.283 3.257 3.334 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 35 LEU H 1 35 LEU MD2 4.320 . 4.320 3.534 3.483 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 35 LEU H 1 35 LEU HG 4.560 . 4.560 2.792 2.728 2.901 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 35 LEU H 1 36 SER H 3.090 . 3.090 2.600 2.472 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 35 LEU H 1 37 LEU H 4.360 . 4.360 4.330 4.262 4.367 0.007 5 0 "[ . 1 . 2 . 3]" 1 642 1 35 LEU H 1 38 LEU H 5.260 . 5.260 4.753 4.660 4.899 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 35 LEU HA 1 35 LEU MD1 3.770 . 3.770 3.524 3.466 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 35 LEU HA 1 35 LEU MD2 3.770 . 3.770 3.913 3.832 3.989 0.219 20 0 "[ . 1 . 2 . 3]" 1 645 1 35 LEU HA 1 35 LEU HG 3.980 . 3.980 3.912 3.895 3.945 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 35 LEU HA 1 37 LEU H 5.390 . 5.390 4.576 4.436 4.696 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 35 LEU HA 1 38 LEU HB2 3.760 . 3.760 3.121 2.911 3.278 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 35 LEU HA 1 38 LEU HB3 3.810 . 3.810 2.593 2.451 2.736 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 35 LEU HA 1 39 LYS H 4.560 . 4.560 4.234 4.110 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 35 LEU HB2 1 35 LEU MD1 3.540 . 3.540 2.403 2.376 2.435 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 35 LEU HB2 1 35 LEU QD 3.070 . 3.070 2.039 1.987 2.080 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 35 LEU HB2 1 35 LEU MD2 3.540 . 3.540 2.206 2.109 2.296 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 35 LEU HB3 1 36 SER H 3.810 . 3.810 3.827 3.815 3.845 0.035 2 0 "[ . 1 . 2 . 3]" 1 654 1 35 LEU QD 1 36 SER H 3.650 . 3.650 2.853 2.766 3.021 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 35 LEU QD 1 36 SER HA 2.840 . 2.840 2.555 2.461 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 35 LEU QD 1 37 LEU H 4.780 . 4.780 4.676 4.554 4.768 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 35 LEU QD 1 39 LYS H 4.200 . 4.200 4.229 3.930 4.283 0.083 12 0 "[ . 1 . 2 . 3]" 1 658 1 35 LEU QD 1 39 LYS QB 5.090 . 5.090 4.120 3.625 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 35 LEU QD 1 39 LYS QD 3.720 . 3.720 3.565 3.299 3.946 0.226 21 0 "[ . 1 . 2 . 3]" 1 660 1 35 LEU QD 1 39 LYS QE 3.450 . 3.450 2.271 2.074 2.576 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 35 LEU QD 1 39 LYS QG 3.710 . 3.710 3.152 2.798 3.289 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 35 LEU HG 1 36 SER H 4.460 . 4.460 2.901 2.802 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 35 LEU HG 1 36 SER HA 4.570 . 4.570 4.424 4.182 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 35 LEU HG 1 36 SER QB 5.040 . 5.040 3.847 3.635 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 35 LEU HG 1 37 LEU H 5.500 . 5.500 5.472 5.398 5.506 0.006 21 0 "[ . 1 . 2 . 3]" 1 666 1 35 LEU HG 1 39 LYS QE 4.960 . 4.960 4.845 4.656 4.995 0.035 24 0 "[ . 1 . 2 . 3]" 1 667 1 36 SER H 1 36 SER HA 2.920 . 2.920 2.883 2.864 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 36 SER H 1 36 SER QB 2.990 . 2.990 2.352 2.222 2.731 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 36 SER H 1 37 LEU H 3.010 . 3.010 2.588 2.497 2.674 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 36 SER H 1 37 LEU HB3 5.500 . 5.500 4.866 4.673 5.079 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 36 SER H 1 37 LEU MD1 5.500 . 5.500 5.528 5.375 5.583 0.083 24 0 "[ . 1 . 2 . 3]" 1 672 1 36 SER H 1 37 LEU MD2 5.340 . 5.340 5.140 4.569 5.344 0.004 7 0 "[ . 1 . 2 . 3]" 1 673 1 36 SER H 1 37 LEU HG 4.530 . 4.530 4.469 4.232 4.535 0.005 3 0 "[ . 1 . 2 . 3]" 1 674 1 36 SER H 1 39 LYS HG2 5.500 . 5.500 4.510 4.434 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 36 SER H 1 39 LYS QG 4.700 . 4.700 4.320 4.263 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 36 SER H 1 39 LYS HG3 5.500 . 5.500 5.533 5.511 5.562 0.062 29 0 "[ . 1 . 2 . 3]" 1 677 1 36 SER HA 1 39 LYS H 4.110 . 4.110 3.357 3.257 3.520 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 36 SER HA 1 39 LYS QB 5.160 . 5.160 4.186 4.098 4.346 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 36 SER HA 1 40 GLU QB 5.500 . 5.500 5.081 4.571 5.502 0.002 15 0 "[ . 1 . 2 . 3]" 1 680 1 36 SER QB 1 37 LEU H 4.910 . 4.910 2.734 2.468 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 36 SER QB 1 39 LYS QD 4.450 . 4.450 4.031 3.404 4.426 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 36 SER QB 1 39 LYS QG 4.470 . 4.470 3.843 3.456 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 37 LEU H 1 37 LEU HB2 3.650 . 3.650 3.598 3.544 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 37 LEU H 1 37 LEU HB3 3.270 . 3.270 2.379 2.269 2.484 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 37 LEU H 1 37 LEU MD1 3.810 . 3.810 3.821 3.723 3.861 0.051 2 0 "[ . 1 . 2 . 3]" 1 686 1 37 LEU H 1 37 LEU MD2 3.870 . 3.870 3.461 2.988 3.605 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 37 LEU H 1 37 LEU HG 3.100 . 3.100 2.596 2.380 2.709 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 37 LEU H 1 38 LEU H 3.060 . 3.060 2.432 2.317 2.531 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 37 LEU H 1 38 LEU HB2 5.080 . 5.080 4.495 4.322 4.615 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 37 LEU H 1 39 LYS H 4.410 . 4.410 4.323 4.216 4.410 0.000 19 0 "[ . 1 . 2 . 3]" 1 691 1 37 LEU H 1 39 LYS QG 5.340 . 5.340 4.505 4.368 4.605 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 37 LEU H 1 40 GLU H 5.500 . 5.500 4.772 4.626 4.884 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 37 LEU H 1 40 GLU QB 4.920 . 4.920 4.797 4.401 4.938 0.018 29 0 "[ . 1 . 2 . 3]" 1 694 1 37 LEU HA 1 37 LEU MD1 3.610 . 3.610 3.649 3.613 3.691 0.081 21 0 "[ . 1 . 2 . 3]" 1 695 1 37 LEU HA 1 37 LEU MD2 4.100 . 4.100 4.024 3.972 4.053 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 37 LEU HA 1 37 LEU HG 3.970 . 3.970 3.905 3.751 3.969 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 37 LEU HA 1 40 GLU H 3.940 . 3.940 3.265 3.143 3.366 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 37 LEU HA 1 40 GLU QB 3.590 . 3.590 2.372 2.084 2.595 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 37 LEU HA 1 41 ARG H 4.390 . 4.390 3.644 3.573 3.752 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 37 LEU HB2 1 37 LEU MD1 3.470 . 3.470 2.300 2.207 2.356 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 37 LEU HB2 1 37 LEU MD2 3.100 . 3.100 2.416 2.280 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 37 LEU HB2 1 38 LEU H 3.980 . 3.980 3.998 3.986 4.021 0.041 20 0 "[ . 1 . 2 . 3]" 1 703 1 37 LEU HB3 1 37 LEU MD2 3.220 . 3.220 2.143 2.066 2.167 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 37 LEU HB3 1 38 LEU H 4.110 . 4.110 3.751 3.650 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 37 LEU HB3 1 38 LEU HB2 5.500 . 5.500 5.575 5.520 5.656 0.156 29 0 "[ . 1 . 2 . 3]" 1 706 1 37 LEU HB3 1 41 ARG H 5.500 . 5.500 5.547 5.513 5.600 0.100 20 0 "[ . 1 . 2 . 3]" 1 707 1 37 LEU MD1 1 38 LEU H 4.840 . 4.840 2.785 2.654 3.014 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 37 LEU MD1 1 38 LEU MD1 3.580 . 3.580 3.164 3.029 3.443 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 37 LEU MD1 1 40 GLU H 5.180 . 5.180 4.922 4.759 5.042 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 37 LEU MD1 1 40 GLU QB 4.620 . 4.620 4.588 4.386 4.670 0.050 29 0 "[ . 1 . 2 . 3]" 1 711 1 37 LEU MD1 1 41 ARG H 5.210 . 5.210 4.047 3.833 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 37 LEU MD1 1 41 ARG HD2 5.500 . 5.500 3.614 2.043 5.479 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 37 LEU MD1 1 41 ARG QD 4.710 . 4.710 3.299 2.031 4.620 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 37 LEU MD1 1 41 ARG HD3 5.500 . 5.500 4.330 2.245 5.424 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 37 LEU MD2 1 38 LEU H 5.500 . 5.500 4.222 4.002 4.345 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 37 LEU MD2 1 40 GLU QB 5.500 . 5.500 5.467 5.189 5.608 0.108 24 0 "[ . 1 . 2 . 3]" 1 717 1 37 LEU HG 1 38 LEU H 4.700 . 4.700 2.654 2.354 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 38 LEU H 1 38 LEU HB2 3.100 . 3.100 2.287 2.217 2.330 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 38 LEU H 1 38 LEU HB3 3.080 . 3.080 2.489 2.427 2.535 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 38 LEU H 1 38 LEU MD1 4.310 . 4.310 3.959 3.880 4.038 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 38 LEU H 1 38 LEU MD2 4.680 . 4.680 4.183 4.107 4.248 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 38 LEU H 1 38 LEU HG 4.470 . 4.470 4.430 4.405 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 38 LEU H 1 39 LYS QG 4.840 . 4.840 4.047 3.959 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 38 LEU H 1 40 GLU H 4.460 . 4.460 3.936 3.806 4.011 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 38 LEU H 1 41 ARG H 5.100 . 5.100 4.649 4.595 4.704 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 38 LEU HA 1 38 LEU MD1 2.980 . 2.980 2.026 1.973 2.070 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 38 LEU HA 1 38 LEU HG 3.800 . 3.800 2.981 2.922 3.059 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 38 LEU HA 1 40 GLU H 4.320 . 4.320 4.168 4.050 4.220 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 38 LEU HA 1 40 GLU QB 5.500 . 5.500 4.925 4.759 5.179 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 38 LEU HA 1 41 ARG H 3.830 . 3.830 3.520 3.338 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 38 LEU HA 1 41 ARG QB 4.180 . 4.180 3.416 2.932 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 38 LEU HA 1 42 ASN H 3.780 . 3.780 3.190 3.089 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 38 LEU HA 1 46 ALA MB 5.500 . 5.500 4.117 3.986 4.328 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 38 LEU HB2 1 38 LEU MD1 3.600 . 3.600 2.340 2.299 2.415 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 38 LEU HB2 1 39 LYS H 4.170 . 4.170 3.795 3.715 3.870 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 38 LEU HB2 1 40 GLU H 5.500 . 5.500 5.480 5.411 5.527 0.027 20 0 "[ . 1 . 2 . 3]" 1 737 1 38 LEU HB2 1 42 ASN H 5.500 . 5.500 5.493 5.424 5.527 0.027 20 0 "[ . 1 . 2 . 3]" 1 738 1 38 LEU HB2 1 46 ALA MB 5.500 . 5.500 4.488 4.384 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 38 LEU HB3 1 39 LYS H 3.720 . 3.720 2.496 2.381 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 38 LEU HB3 1 39 LYS HA 4.770 . 4.770 4.387 4.336 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 38 LEU MD1 1 39 LYS H 4.460 . 4.460 4.544 4.498 4.584 0.124 2 0 "[ . 1 . 2 . 3]" 1 742 1 38 LEU MD1 1 40 GLU H 5.500 . 5.500 5.477 5.301 5.551 0.051 5 0 "[ . 1 . 2 . 3]" 1 743 1 38 LEU MD1 1 41 ARG H 4.970 . 4.970 4.809 4.596 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 38 LEU MD1 1 42 ASN H 3.950 . 3.950 3.626 3.363 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 38 LEU MD1 1 42 ASN HA 5.000 . 5.000 4.710 4.639 4.772 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 38 LEU MD1 1 42 ASN HB2 3.640 . 3.640 2.972 2.880 3.060 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 38 LEU MD1 1 42 ASN QB 3.110 . 3.110 2.126 2.064 2.173 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 38 LEU MD1 1 42 ASN HB3 3.640 . 3.640 2.178 2.107 2.228 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 38 LEU MD1 1 42 ASN HD21 5.050 . 5.050 4.174 3.858 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 38 LEU MD1 1 42 ASN HD22 3.920 . 3.920 2.937 2.599 3.181 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 38 LEU MD1 1 45 LEU H 4.700 . 4.700 4.545 4.409 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 38 LEU MD1 1 45 LEU HA 5.220 . 5.220 5.000 4.814 5.235 0.015 29 0 "[ . 1 . 2 . 3]" 1 753 1 38 LEU MD1 1 45 LEU HB2 4.050 . 4.050 3.905 3.669 4.052 0.002 28 0 "[ . 1 . 2 . 3]" 1 754 1 38 LEU MD1 1 45 LEU HB3 2.910 . 2.910 2.576 2.361 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 38 LEU MD1 1 45 LEU MD1 4.250 . 4.250 4.122 3.972 4.315 0.065 29 0 "[ . 1 . 2 . 3]" 1 756 1 38 LEU MD1 1 45 LEU QD 2.780 . 2.780 2.126 1.991 2.251 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 38 LEU MD1 1 45 LEU MD2 4.250 . 4.250 2.133 1.995 2.259 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 38 LEU MD1 1 45 LEU HG 3.400 . 3.400 2.859 2.613 3.180 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 38 LEU MD1 1 46 ALA H 4.110 . 4.110 3.900 3.756 4.050 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 38 LEU MD1 1 46 ALA MB 4.330 . 4.330 3.567 3.394 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 38 LEU MD1 1 57 PHE QE 5.160 . 5.160 4.370 4.194 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 38 LEU MD2 1 39 LYS H 5.010 . 5.010 4.177 4.050 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 38 LEU MD2 1 49 LEU H 4.910 . 4.910 4.207 3.930 4.592 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 38 LEU MD2 1 49 LEU QD 2.990 . 2.990 2.377 2.111 3.037 0.047 6 0 "[ . 1 . 2 . 3]" 1 765 1 38 LEU MD2 1 57 PHE QE 4.320 . 4.320 2.888 2.736 3.061 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 38 LEU HG 1 39 LYS H 3.800 . 3.800 3.806 3.742 3.824 0.024 20 0 "[ . 1 . 2 . 3]" 1 767 1 38 LEU HG 1 42 ASN H 4.600 . 4.600 4.299 4.082 4.426 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 38 LEU HG 1 42 ASN HB2 5.090 . 5.090 4.720 4.550 4.922 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 38 LEU HG 1 42 ASN QB 4.320 . 4.320 3.118 2.919 3.328 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 38 LEU HG 1 42 ASN HB3 5.090 . 5.090 3.164 2.954 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 38 LEU HG 1 46 ALA H 3.600 . 3.600 3.289 3.162 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 38 LEU HG 1 46 ALA HA 3.270 . 3.270 2.785 2.402 3.106 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 38 LEU HG 1 46 ALA MB 2.900 . 2.900 2.186 2.108 2.296 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 39 LYS H 1 39 LYS QB 2.950 . 2.950 2.798 2.704 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 39 LYS H 1 39 LYS QD 4.320 . 4.320 4.120 4.018 4.231 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 39 LYS H 1 39 LYS QE 4.990 . 4.990 3.895 3.574 4.401 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 39 LYS H 1 39 LYS HG2 3.690 . 3.690 2.110 1.911 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 39 LYS H 1 39 LYS QG 2.910 . 2.910 2.048 1.882 2.286 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 39 LYS H 1 39 LYS HG3 3.690 . 3.690 2.812 2.627 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 39 LYS H 1 40 GLU H 3.230 . 3.230 2.632 2.545 2.741 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 39 LYS H 1 40 GLU QB 4.540 . 4.540 4.443 4.231 4.557 0.017 24 0 "[ . 1 . 2 . 3]" 1 782 1 39 LYS H 1 41 ARG H 4.540 . 4.540 4.441 4.317 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 39 LYS H 1 42 ASN H 4.940 . 4.940 4.706 4.659 4.788 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 39 LYS H 1 46 ALA MB 3.570 . 3.570 3.197 3.116 3.292 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 39 LYS HA 1 39 LYS QD 4.660 . 4.660 4.477 4.370 4.518 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 39 LYS HA 1 39 LYS HG2 4.070 . 4.070 3.766 3.661 3.951 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 39 LYS HA 1 39 LYS QG 3.550 . 3.550 3.352 3.327 3.374 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 39 LYS HA 1 39 LYS HG3 4.070 . 4.070 3.764 3.620 3.836 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 39 LYS HA 1 40 GLU QB 5.500 . 5.500 5.216 5.055 5.354 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 39 LYS HA 1 41 ARG H 5.180 . 5.180 4.732 4.462 4.863 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 39 LYS HA 1 42 ASN H 4.550 . 4.550 3.868 3.721 3.984 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 39 LYS HA 1 43 PRO HA 4.150 . 4.150 2.624 2.452 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 39 LYS HA 1 43 PRO QB 5.340 . 5.340 3.842 3.666 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 39 LYS HA 1 46 ALA H 4.610 . 4.610 4.227 4.115 4.323 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 39 LYS HA 1 46 ALA MB 2.890 . 2.890 2.008 1.960 2.068 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 39 LYS HA 1 47 GLU H 5.150 . 5.150 4.969 4.889 5.125 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 39 LYS HA 1 50 LEU MD2 5.500 . 5.500 4.974 4.549 5.254 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 39 LYS QB 1 39 LYS QD 3.050 . 3.050 2.266 2.214 2.315 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 39 LYS QB 1 39 LYS HE2 4.230 . 4.230 2.252 2.093 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 39 LYS QB 1 39 LYS HE3 4.230 . 4.230 3.072 2.995 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 39 LYS QB 1 40 GLU H 3.750 . 3.750 3.628 3.575 3.687 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 39 LYS QB 1 47 GLU H 5.120 . 5.120 5.139 5.067 5.206 0.086 21 0 "[ . 1 . 2 . 3]" 1 803 1 39 LYS QB 1 50 LEU MD1 5.500 . 5.500 3.389 2.992 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 39 LYS QB 1 50 LEU MD2 5.500 . 5.500 3.230 2.837 3.522 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 39 LYS QD 1 40 GLU H 5.010 . 5.010 4.385 4.037 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 39 LYS QE 1 39 LYS QG 3.090 . 3.090 2.243 2.160 2.282 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 39 LYS QE 1 50 LEU MD1 3.930 . 3.930 2.751 2.333 3.367 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 39 LYS HE2 1 50 LEU MD1 4.640 . 4.640 2.797 2.356 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 39 LYS HE2 1 50 LEU MD2 4.040 . 4.040 2.657 2.236 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 39 LYS HE3 1 50 LEU MD1 4.640 . 4.640 4.096 3.639 4.647 0.007 19 0 "[ . 1 . 2 . 3]" 1 811 1 39 LYS HE3 1 50 LEU MD2 4.040 . 4.040 3.188 2.683 4.069 0.029 21 0 "[ . 1 . 2 . 3]" 1 812 1 39 LYS QG 1 40 GLU H 3.990 . 3.990 2.515 2.312 2.679 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 39 LYS QG 1 41 ARG H 4.890 . 4.890 4.881 4.789 4.921 0.031 29 0 "[ . 1 . 2 . 3]" 1 814 1 39 LYS HG2 1 40 GLU H 4.800 . 4.800 3.485 3.373 3.653 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 39 LYS HG3 1 40 GLU H 4.800 . 4.800 2.583 2.338 2.785 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 40 GLU H 1 40 GLU QB 2.820 . 2.820 2.223 2.013 2.321 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 40 GLU H 1 40 GLU HG2 4.700 . 4.700 3.862 2.517 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 40 GLU H 1 40 GLU QG 4.090 . 4.090 3.273 2.483 4.036 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 40 GLU H 1 40 GLU HG3 4.700 . 4.700 3.806 2.523 4.604 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 40 GLU H 1 41 ARG H 2.940 . 2.940 2.624 2.501 2.707 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 40 GLU H 1 41 ARG HA 5.400 . 5.400 5.268 5.209 5.309 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 40 GLU H 1 41 ARG QG 4.420 . 4.420 4.237 4.042 4.421 0.001 4 0 "[ . 1 . 2 . 3]" 1 823 1 40 GLU H 1 42 ASN H 4.310 . 4.310 3.965 3.833 4.058 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 40 GLU H 1 46 ALA MB 4.620 . 4.620 4.555 4.490 4.624 0.004 15 0 "[ . 1 . 2 . 3]" 1 825 1 40 GLU HA 1 40 GLU HG2 4.240 . 4.240 2.729 2.287 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 40 GLU HA 1 40 GLU QG 3.600 . 3.600 2.515 2.202 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 40 GLU HA 1 40 GLU HG3 4.240 . 4.240 3.138 2.670 3.754 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 40 GLU HA 1 42 ASN H 5.500 . 5.500 4.831 4.692 5.036 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 40 GLU QB 1 41 ARG H 3.080 . 3.080 2.322 2.197 2.538 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 40 GLU QB 1 41 ARG HA 4.270 . 4.270 3.938 3.569 4.274 0.004 16 0 "[ . 1 . 2 . 3]" 1 831 1 40 GLU QB 1 42 ASN H 5.070 . 5.070 4.499 4.335 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 40 GLU HG2 1 41 ARG H 5.090 . 5.090 4.371 3.423 5.032 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 40 GLU HG3 1 41 ARG H 5.090 . 5.090 4.661 3.724 5.090 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 41 ARG H 1 41 ARG QB 2.890 . 2.890 2.445 2.389 2.486 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 41 ARG H 1 41 ARG HD2 5.130 . 5.130 4.498 3.877 4.979 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 41 ARG H 1 41 ARG QD 4.490 . 4.490 4.029 3.604 4.419 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 41 ARG H 1 41 ARG HD3 5.130 . 5.130 4.690 3.964 5.129 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 41 ARG H 1 41 ARG HG2 3.810 . 3.810 2.946 2.157 3.415 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 41 ARG H 1 41 ARG QG 3.220 . 3.220 2.280 2.104 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 41 ARG H 1 41 ARG HG3 3.810 . 3.810 2.785 2.126 3.690 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 41 ARG H 1 42 ASN H 3.060 . 3.060 2.513 2.395 2.653 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 41 ARG H 1 42 ASN QB 5.080 . 5.080 4.520 4.356 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 41 ARG H 1 43 PRO QD 5.350 . 5.350 4.426 4.237 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 41 ARG H 1 46 ALA MB 5.500 . 5.500 5.306 5.137 5.448 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 41 ARG HA 1 41 ARG HD2 4.820 . 4.820 4.315 2.190 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 41 ARG HA 1 41 ARG QD 4.230 . 4.230 3.531 2.110 4.237 0.007 23 0 "[ . 1 . 2 . 3]" 1 847 1 41 ARG HA 1 41 ARG HD3 4.820 . 4.820 3.875 2.123 4.700 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 41 ARG HA 1 41 ARG HG2 3.850 . 3.850 2.692 2.298 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 41 ARG HA 1 41 ARG QG 3.350 . 3.350 2.586 2.250 3.399 0.049 29 0 "[ . 1 . 2 . 3]" 1 850 1 41 ARG HA 1 41 ARG HG3 3.850 . 3.850 3.433 3.065 3.853 0.003 19 0 "[ . 1 . 2 . 3]" 1 851 1 41 ARG QB 1 41 ARG QD 2.970 . 2.970 2.227 2.074 2.628 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 41 ARG QB 1 42 ASN H 3.350 . 3.350 2.878 2.646 3.528 0.178 29 0 "[ . 1 . 2 . 3]" 1 853 1 41 ARG HB2 1 42 ASN H 3.960 . 3.960 2.980 2.707 3.978 0.018 29 0 "[ . 1 . 2 . 3]" 1 854 1 41 ARG HB3 1 42 ASN H 3.960 . 3.960 3.899 3.717 3.993 0.033 5 0 "[ . 1 . 2 . 3]" 1 855 1 41 ARG QG 1 42 ASN H 4.150 . 4.150 3.992 2.283 4.199 0.049 4 0 "[ . 1 . 2 . 3]" 1 856 1 41 ARG HG2 1 42 ASN H 4.950 . 4.950 4.617 2.513 5.008 0.058 20 0 "[ . 1 . 2 . 3]" 1 857 1 41 ARG HG3 1 42 ASN H 4.950 . 4.950 4.461 2.620 4.977 0.027 27 0 "[ . 1 . 2 . 3]" 1 858 1 42 ASN H 1 42 ASN HB2 3.750 . 3.750 3.021 2.955 3.086 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 42 ASN H 1 42 ASN HB3 3.750 . 3.750 2.915 2.856 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 42 ASN H 1 42 ASN HD22 5.400 . 5.400 5.219 5.138 5.292 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 42 ASN H 1 43 PRO HA 4.980 . 4.980 4.325 4.231 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 42 ASN H 1 43 PRO HD2 4.740 . 4.740 3.894 3.808 4.035 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 42 ASN H 1 43 PRO HD3 4.740 . 4.740 3.333 3.225 3.507 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 42 ASN H 1 43 PRO QG 5.500 . 5.500 5.073 4.991 5.217 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 42 ASN H 1 46 ALA MB 4.960 . 4.960 4.012 3.814 4.140 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 42 ASN HA 1 42 ASN HD22 5.500 . 5.500 4.324 4.263 4.382 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 42 ASN HA 1 43 PRO QD 3.590 . 3.590 2.313 2.257 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 42 ASN HA 1 43 PRO QG 5.090 . 5.090 4.026 3.997 4.067 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 42 ASN QB 1 45 LEU HB3 4.040 . 4.040 2.746 2.643 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 42 ASN QB 1 45 LEU QD 4.490 . 4.490 3.434 3.322 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 42 ASN QB 1 45 LEU HG 5.340 . 5.340 4.635 4.472 4.847 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 42 ASN QB 1 46 ALA H 4.480 . 4.480 3.516 3.484 3.546 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 42 ASN HB2 1 45 LEU H 4.920 . 4.920 4.799 4.688 4.921 0.001 28 0 "[ . 1 . 2 . 3]" 1 874 1 42 ASN HB2 1 45 LEU HB3 4.790 . 4.790 4.110 3.972 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 42 ASN HB2 1 46 ALA H 5.170 . 5.170 5.201 5.178 5.233 0.063 2 0 "[ . 1 . 2 . 3]" 1 876 1 42 ASN HB3 1 45 LEU H 4.920 . 4.920 3.691 3.488 3.846 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 42 ASN HB3 1 45 LEU HB3 4.790 . 4.790 2.789 2.677 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 42 ASN HB3 1 46 ALA H 5.170 . 5.170 3.575 3.541 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 42 ASN HD21 1 45 LEU HB2 4.560 . 4.560 2.553 2.406 2.723 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 42 ASN HD21 1 45 LEU HB3 5.500 . 5.500 3.155 2.935 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 42 ASN HD21 1 45 LEU MD1 5.500 . 5.500 4.319 4.160 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 42 ASN HD21 1 45 LEU QD 4.030 . 4.030 2.844 2.664 3.052 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 42 ASN HD21 1 45 LEU MD2 5.500 . 5.500 2.885 2.696 3.124 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 42 ASN HD21 1 45 LEU HG 5.500 . 5.500 4.955 4.723 5.297 . 0 0 "[ . 1 . 2 . 3]" 1 885 1 42 ASN HD21 1 64 GLN HE21 4.840 . 4.840 3.981 2.563 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 42 ASN HD21 1 64 GLN HE22 4.840 . 4.840 4.064 2.830 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 42 ASN HD22 1 45 LEU H 4.310 . 4.310 4.322 4.310 4.353 0.043 20 0 "[ . 1 . 2 . 3]" 1 888 1 42 ASN HD22 1 45 LEU HA 5.500 . 5.500 5.513 5.502 5.545 0.045 20 0 "[ . 1 . 2 . 3]" 1 889 1 42 ASN HD22 1 45 LEU HB2 4.170 . 4.170 3.206 3.062 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 42 ASN HD22 1 45 LEU HB3 4.260 . 4.260 2.879 2.739 3.179 . 0 0 "[ . 1 . 2 . 3]" 1 891 1 42 ASN HD22 1 45 LEU MD1 4.930 . 4.930 4.680 4.583 4.737 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 42 ASN HD22 1 45 LEU QD 3.420 . 3.420 2.431 2.357 2.638 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 42 ASN HD22 1 45 LEU MD2 4.930 . 4.930 2.440 2.363 2.653 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 42 ASN HD22 1 45 LEU HG 5.160 . 5.160 4.542 4.434 4.872 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 42 ASN HD22 1 60 VAL QG 5.440 . 5.440 5.136 4.914 5.333 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 42 ASN HD22 1 64 GLN QG 3.910 . 3.910 3.583 3.220 3.961 0.051 12 0 "[ . 1 . 2 . 3]" 1 897 1 43 PRO HA 1 46 ALA H 3.870 . 3.870 3.302 3.225 3.387 . 0 0 "[ . 1 . 2 . 3]" 1 898 1 43 PRO HA 1 46 ALA MB 3.210 . 3.210 2.201 2.128 2.347 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 43 PRO HA 1 47 GLU H 4.240 . 4.240 3.699 3.567 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 43 PRO QB 1 44 PRO QD 3.590 . 3.590 3.131 3.035 3.222 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 43 PRO QB 1 46 ALA MB 4.810 . 4.810 3.670 3.589 3.824 . 0 0 "[ . 1 . 2 . 3]" 1 902 1 43 PRO QD 1 44 PRO QD 3.480 . 3.480 2.692 2.642 2.760 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 43 PRO QG 1 44 PRO HA 4.840 . 4.840 4.756 4.684 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 43 PRO QG 1 44 PRO QD 3.900 . 3.900 2.177 2.140 2.209 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 44 PRO HA 1 47 GLU H 4.670 . 4.670 3.443 3.301 3.572 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 44 PRO HA 1 47 GLU QB 5.500 . 5.500 3.878 3.747 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 44 PRO HA 1 47 GLU QG 5.330 . 5.330 2.172 2.061 2.373 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 44 PRO HA 1 48 ALA H 5.220 . 5.220 4.412 4.292 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 909 1 44 PRO HA 1 48 ALA MB 5.410 . 5.410 4.898 4.761 5.022 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 44 PRO HA 1 60 VAL QG 4.750 . 4.750 3.851 3.729 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 44 PRO HB2 1 45 LEU H 3.600 . 3.600 3.488 3.388 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 44 PRO HB2 1 46 ALA H 5.500 . 5.500 5.329 5.227 5.430 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 44 PRO HB2 1 60 VAL QG 3.270 . 3.270 2.464 2.223 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 44 PRO HB2 1 64 GLN HE21 4.570 . 4.570 4.426 3.427 4.578 0.008 5 0 "[ . 1 . 2 . 3]" 1 915 1 44 PRO HB2 1 64 GLN QE 3.880 . 3.880 3.530 3.050 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 44 PRO HB2 1 64 GLN HE22 4.570 . 4.570 3.731 3.420 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 917 1 44 PRO HB3 1 45 LEU H 4.550 . 4.550 4.301 4.226 4.359 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 44 PRO HB3 1 60 VAL QG 4.290 . 4.290 3.844 3.652 4.097 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 44 PRO HB3 1 64 GLN HE21 5.170 . 5.170 5.127 4.537 5.185 0.015 9 0 "[ . 1 . 2 . 3]" 1 920 1 44 PRO HB3 1 64 GLN QE 4.510 . 4.510 4.439 4.219 4.543 0.033 20 0 "[ . 1 . 2 . 3]" 1 921 1 44 PRO HB3 1 64 GLN HE22 5.170 . 5.170 4.875 4.609 5.183 0.013 26 0 "[ . 1 . 2 . 3]" 1 922 1 44 PRO QD 1 45 LEU H 3.710 . 3.710 2.917 2.888 2.967 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 44 PRO QD 1 46 ALA H 5.200 . 5.200 4.213 4.122 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 44 PRO QD 1 47 GLU H 5.350 . 5.350 5.225 5.176 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 44 PRO HD2 1 45 LEU H 4.350 . 4.350 2.983 2.952 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 44 PRO HD3 1 45 LEU H 4.350 . 4.350 4.123 4.090 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 44 PRO QG 1 45 LEU H 3.740 . 3.740 2.376 2.254 2.471 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 44 PRO QG 1 46 ALA H 4.560 . 4.560 4.500 4.389 4.572 0.012 12 0 "[ . 1 . 2 . 3]" 1 929 1 44 PRO QG 1 60 VAL QG 4.080 . 4.080 3.176 3.039 3.378 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 44 PRO QG 1 64 GLN QE 3.800 . 3.800 2.423 1.918 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 45 LEU H 1 45 LEU HB2 3.300 . 3.300 2.645 2.597 2.702 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 45 LEU H 1 45 LEU HB3 3.250 . 3.250 2.544 2.492 2.615 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 45 LEU H 1 45 LEU MD1 4.310 . 4.310 4.257 4.194 4.321 0.011 10 0 "[ . 1 . 2 . 3]" 1 934 1 45 LEU H 1 45 LEU MD2 4.310 . 4.310 4.315 4.298 4.332 0.022 22 0 "[ . 1 . 2 . 3]" 1 935 1 45 LEU H 1 46 ALA H 2.990 . 2.990 2.344 2.294 2.417 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 45 LEU H 1 46 ALA MB 4.240 . 4.240 4.041 4.002 4.113 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 45 LEU H 1 47 GLU H 4.440 . 4.440 4.293 4.238 4.375 . 0 0 "[ . 1 . 2 . 3]" 1 938 1 45 LEU H 1 47 GLU QG 5.180 . 5.180 4.603 4.511 4.748 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 45 LEU H 1 48 ALA H 5.370 . 5.370 5.049 4.958 5.127 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 45 LEU H 1 60 VAL QG 3.990 . 3.990 3.347 3.195 3.512 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 45 LEU H 1 64 GLN HE21 5.500 . 5.500 4.857 2.473 5.239 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 45 LEU H 1 64 GLN QE 4.690 . 4.690 4.215 2.431 4.508 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 45 LEU H 1 64 GLN HE22 5.500 . 5.500 4.674 3.514 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 944 1 45 LEU H 1 64 GLN QG 5.020 . 5.020 4.116 3.660 5.039 0.019 12 0 "[ . 1 . 2 . 3]" 1 945 1 45 LEU HA 1 45 LEU MD1 3.920 . 3.920 2.120 2.062 2.184 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 45 LEU HA 1 45 LEU QD 3.220 . 3.220 2.110 2.053 2.172 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 45 LEU HA 1 45 LEU MD2 3.920 . 3.920 3.825 3.801 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 948 1 45 LEU HA 1 45 LEU HG 3.850 . 3.850 3.219 3.123 3.321 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 45 LEU HA 1 47 GLU H 4.870 . 4.870 4.620 4.575 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 45 LEU HA 1 48 ALA H 3.670 . 3.670 3.631 3.546 3.689 0.019 17 0 "[ . 1 . 2 . 3]" 1 951 1 45 LEU HA 1 48 ALA MB 3.350 . 3.350 2.788 2.619 2.941 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 45 LEU HA 1 49 LEU H 5.340 . 5.340 4.546 4.352 4.681 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 45 LEU HA 1 60 VAL MG1 3.940 . 3.940 2.118 1.958 2.326 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 45 LEU HA 1 60 VAL QG 3.080 . 3.080 2.090 1.921 2.305 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 45 LEU HA 1 60 VAL MG2 3.940 . 3.940 3.274 2.637 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 45 LEU HB2 1 45 LEU MD1 3.430 . 3.430 2.509 2.467 2.559 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 45 LEU HB2 1 45 LEU QD 2.990 . 2.990 2.150 2.143 2.156 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 45 LEU HB2 1 45 LEU MD2 3.430 . 3.430 2.339 2.315 2.366 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 45 LEU HB2 1 46 ALA H 4.850 . 4.850 3.929 3.812 3.982 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 45 LEU HB2 1 60 VAL QG 3.590 . 3.590 2.704 2.468 2.930 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 45 LEU HB2 1 64 GLN HE21 5.500 . 5.500 4.964 1.873 5.500 . 6 0 "[ . 1 . 2 . 3]" 1 962 1 45 LEU HB2 1 64 GLN QE 4.760 . 4.760 4.087 1.865 4.586 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 45 LEU HB2 1 64 GLN HE22 5.500 . 5.500 4.440 3.444 4.930 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 45 LEU HB3 1 45 LEU QD 2.880 . 2.880 2.302 2.285 2.328 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 45 LEU HB3 1 46 ALA H 3.380 . 3.380 2.768 2.646 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 45 LEU HB3 1 46 ALA HA 4.840 . 4.840 4.230 4.093 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 45 LEU HB3 1 60 VAL QG 4.500 . 4.500 3.911 3.805 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 45 LEU QD 1 46 ALA H 4.530 . 4.530 4.112 4.068 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 45 LEU QD 1 46 ALA HA 5.290 . 5.290 4.411 4.339 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 45 LEU QD 1 47 GLU H 5.440 . 5.440 5.438 5.390 5.465 0.025 21 0 "[ . 1 . 2 . 3]" 1 971 1 45 LEU QD 1 48 ALA H 4.450 . 4.450 4.363 4.265 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 45 LEU QD 1 48 ALA MB 3.330 . 3.330 2.601 2.387 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 45 LEU QD 1 49 LEU H 4.460 . 4.460 4.149 4.012 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 45 LEU QD 1 57 PHE H 5.440 . 5.440 5.296 5.062 5.437 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 45 LEU QD 1 57 PHE HA 3.930 . 3.930 2.961 2.712 3.114 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 45 LEU QD 1 57 PHE HB3 5.210 . 5.210 4.736 4.489 4.917 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 45 LEU QD 1 57 PHE QD 3.560 . 3.560 2.982 2.871 3.156 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 45 LEU QD 1 57 PHE QE 3.390 . 3.390 2.858 2.735 3.077 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 45 LEU QD 1 57 PHE HZ 4.110 . 4.110 3.217 2.903 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 45 LEU QD 1 58 SER H 5.440 . 5.440 5.128 4.904 5.300 . 0 0 "[ . 1 . 2 . 3]" 1 981 1 45 LEU QD 1 59 ARG H 5.440 . 5.440 5.511 5.432 5.638 0.198 16 0 "[ . 1 . 2 . 3]" 1 982 1 45 LEU QD 1 60 VAL H 4.330 . 4.330 4.108 3.954 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 45 LEU QD 1 60 VAL HB 3.940 . 3.940 2.958 2.313 4.235 0.295 15 0 "[ . 1 . 2 . 3]" 1 984 1 45 LEU QD 1 60 VAL QG 3.940 . 3.940 2.099 1.743 2.325 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 45 LEU QD 1 61 LEU H 3.270 . 3.270 2.969 2.830 3.146 . 0 0 "[ . 1 . 2 . 3]" 1 986 1 45 LEU QD 1 61 LEU HA 3.020 . 3.020 2.399 2.270 2.561 . 0 0 "[ . 1 . 2 . 3]" 1 987 1 45 LEU QD 1 61 LEU HB2 3.850 . 3.850 2.758 2.497 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 45 LEU QD 1 61 LEU QD 3.140 . 3.140 1.983 1.904 2.117 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 45 LEU QD 1 64 GLN QB 4.530 . 4.530 3.102 2.790 3.458 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 45 LEU QD 1 64 GLN QG 5.070 . 5.070 2.677 2.318 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 45 LEU QD 1 65 GLN HE22 5.320 . 5.320 5.221 4.375 5.441 0.121 7 0 "[ . 1 . 2 . 3]" 1 992 1 45 LEU MD1 1 61 LEU HA 4.140 . 4.140 2.509 2.357 2.686 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 45 LEU MD1 1 64 GLN H 5.500 . 5.500 4.763 4.505 5.040 . 0 0 "[ . 1 . 2 . 3]" 1 994 1 45 LEU MD2 1 61 LEU HA 4.140 . 4.140 3.063 2.741 3.237 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 45 LEU MD2 1 64 GLN H 5.500 . 5.500 5.176 4.821 5.513 0.013 12 0 "[ . 1 . 2 . 3]" 1 996 1 45 LEU HG 1 57 PHE QE 4.770 . 4.770 2.861 2.551 3.149 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 46 ALA H 1 46 ALA MB 2.770 . 2.770 2.200 2.188 2.215 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 46 ALA H 1 47 GLU H 3.210 . 3.210 2.901 2.840 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 46 ALA H 1 47 GLU QG 4.310 . 4.310 4.323 4.310 4.351 0.041 21 0 "[ . 1 . 2 . 3]" 1 1000 1 46 ALA H 1 48 ALA H 4.220 . 4.220 4.220 4.133 4.251 0.031 17 0 "[ . 1 . 2 . 3]" 1 1001 1 46 ALA H 1 48 ALA MB 5.500 . 5.500 4.723 4.614 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 46 ALA H 1 60 VAL QG 4.810 . 4.810 4.520 4.406 4.634 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 46 ALA HA 1 49 LEU H 3.870 . 3.870 3.282 3.235 3.396 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 46 ALA HA 1 49 LEU HB2 3.970 . 3.970 3.334 3.201 3.539 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 46 ALA HA 1 49 LEU HB3 3.990 . 3.990 2.897 2.708 3.092 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 46 ALA HA 1 49 LEU MD1 5.420 . 5.420 4.691 4.062 5.035 . 0 0 "[ . 1 . 2 . 3]" 1 1007 1 46 ALA HA 1 49 LEU QD 4.090 . 4.090 3.567 3.330 4.070 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 46 ALA HA 1 49 LEU MD2 5.420 . 5.420 3.865 3.404 5.193 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 46 ALA HA 1 50 LEU MD2 4.400 . 4.400 3.868 3.621 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 46 ALA MB 1 47 GLU H 3.070 . 3.070 2.416 2.348 2.469 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 46 ALA MB 1 47 GLU HA 4.860 . 4.860 3.747 3.681 3.790 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 46 ALA MB 1 48 ALA H 4.460 . 4.460 4.368 4.307 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1013 1 46 ALA MB 1 49 LEU H 4.690 . 4.690 4.404 4.365 4.459 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 46 ALA MB 1 49 LEU HB3 4.880 . 4.880 3.975 3.891 4.126 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 46 ALA MB 1 49 LEU QD 4.380 . 4.380 3.993 3.790 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 1016 1 46 ALA MB 1 50 LEU H 4.610 . 4.610 4.421 4.323 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 47 GLU H 1 47 GLU QB 2.760 . 2.760 2.515 2.439 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 47 GLU H 1 47 GLU HG2 3.700 . 3.700 2.388 2.237 2.738 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 47 GLU H 1 47 GLU HG3 3.700 . 3.700 3.278 2.486 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 47 GLU H 1 48 ALA H 3.100 . 3.100 2.725 2.669 2.797 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 47 GLU H 1 48 ALA HA 5.500 . 5.500 5.327 5.273 5.378 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 47 GLU H 1 48 ALA MB 4.650 . 4.650 4.290 4.195 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 47 GLU H 1 50 LEU H 5.160 . 5.160 4.733 4.671 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 47 GLU H 1 50 LEU MD1 4.740 . 4.740 4.500 4.396 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 47 GLU H 1 50 LEU MD2 5.340 . 5.340 4.987 4.883 5.191 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 47 GLU H 1 50 LEU HG 4.510 . 4.510 4.088 4.015 4.217 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 47 GLU H 1 60 VAL QG 5.440 . 5.440 4.905 4.745 5.044 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 47 GLU HA 1 47 GLU HG2 3.920 . 3.920 3.845 3.767 3.946 0.026 19 0 "[ . 1 . 2 . 3]" 1 1029 1 47 GLU HA 1 47 GLU HG3 3.920 . 3.920 3.707 3.537 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 47 GLU HA 1 50 LEU H 3.720 . 3.720 3.150 3.036 3.249 . 0 0 "[ . 1 . 2 . 3]" 1 1031 1 47 GLU HA 1 50 LEU MD1 4.330 . 4.330 2.648 2.589 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 47 GLU HA 1 50 LEU MD2 4.780 . 4.780 3.825 3.711 4.091 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 47 GLU HA 1 50 LEU HG 4.200 . 4.200 2.132 2.019 2.452 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 47 GLU HA 1 51 SER H 4.890 . 4.890 4.186 3.905 4.365 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 47 GLU QB 1 48 ALA H 3.590 . 3.590 3.554 3.522 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 47 GLU QB 1 48 ALA MB 4.860 . 4.860 4.662 4.614 4.718 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 47 GLU QB 1 51 SER H 5.500 . 5.500 4.901 4.615 5.158 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 47 GLU QG 1 48 ALA H 3.750 . 3.750 2.281 2.013 2.404 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 47 GLU QG 1 48 ALA MB 4.400 . 4.400 3.147 3.043 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 47 GLU QG 1 60 VAL QG 5.280 . 5.280 3.698 3.583 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 47 GLU HG2 1 48 ALA H 4.460 . 4.460 2.957 2.626 3.646 . 0 0 "[ . 1 . 2 . 3]" 1 1042 1 47 GLU HG3 1 48 ALA H 4.460 . 4.460 2.427 2.023 2.715 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 48 ALA H 1 48 ALA MB 2.700 . 2.700 2.145 2.078 2.181 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 48 ALA H 1 49 LEU H 3.130 . 3.130 2.667 2.580 2.769 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 48 ALA H 1 49 LEU HA 5.390 . 5.390 5.311 5.255 5.377 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 48 ALA H 1 49 LEU HB2 5.340 . 5.340 4.973 4.816 5.116 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 48 ALA H 1 50 LEU H 4.400 . 4.400 4.062 4.006 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 48 ALA H 1 50 LEU HB2 5.500 . 5.500 5.433 5.355 5.504 0.004 6 0 "[ . 1 . 2 . 3]" 1 1049 1 48 ALA H 1 50 LEU MD1 5.500 . 5.500 5.573 5.525 5.666 0.166 2 0 "[ . 1 . 2 . 3]" 1 1050 1 48 ALA H 1 50 LEU MD2 5.500 . 5.500 5.557 5.506 5.646 0.146 2 0 "[ . 1 . 2 . 3]" 1 1051 1 48 ALA H 1 56 LYS QB 5.500 . 5.500 5.641 5.539 5.759 0.259 2 0 "[ . 1 . 2 . 3]" 1 1052 1 48 ALA H 1 56 LYS QE 5.410 . 5.410 3.843 3.430 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 48 ALA H 1 57 PHE HA 5.400 . 5.400 5.003 4.930 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 48 ALA H 1 57 PHE QD 5.500 . 5.500 4.819 4.650 5.047 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 48 ALA H 1 60 VAL HB 5.500 . 5.500 5.257 5.054 5.516 0.016 27 0 "[ . 1 . 2 . 3]" 1 1056 1 48 ALA H 1 60 VAL MG1 4.660 . 4.660 4.215 3.555 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 48 ALA H 1 60 VAL QG 3.890 . 3.890 3.726 3.446 3.929 0.039 22 0 "[ . 1 . 2 . 3]" 1 1058 1 48 ALA H 1 60 VAL MG2 4.660 . 4.660 4.303 4.018 4.666 0.006 27 0 "[ . 1 . 2 . 3]" 1 1059 1 48 ALA HA 1 56 LYS QB 4.230 . 4.230 3.745 3.527 3.877 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 48 ALA HA 1 56 LYS QE 4.270 . 4.270 1.862 1.781 2.014 . 0 0 "[ . 1 . 2 . 3]" 1 1061 1 48 ALA HA 1 56 LYS HG2 5.500 . 5.500 3.333 2.923 3.735 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 48 ALA HA 1 56 LYS HG3 5.110 . 5.110 2.062 1.932 2.202 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 48 ALA MB 1 49 LEU H 3.220 . 3.220 2.491 2.374 2.589 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 48 ALA MB 1 49 LEU HA 4.170 . 4.170 3.873 3.767 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 48 ALA MB 1 49 LEU HB3 5.300 . 5.300 4.577 4.482 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 48 ALA MB 1 49 LEU QD 5.140 . 5.140 4.483 4.343 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 48 ALA MB 1 50 LEU H 4.980 . 4.980 4.487 4.375 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 48 ALA MB 1 52 GLY H 5.500 . 5.500 5.378 5.104 5.540 0.040 20 0 "[ . 1 . 2 . 3]" 1 1069 1 48 ALA MB 1 56 LYS H 5.020 . 5.020 4.760 4.561 4.921 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 48 ALA MB 1 56 LYS HA 4.290 . 4.290 4.198 4.070 4.293 0.003 17 0 "[ . 1 . 2 . 3]" 1 1071 1 48 ALA MB 1 56 LYS QB 3.600 . 3.600 3.236 3.023 3.389 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 48 ALA MB 1 56 LYS QE 4.260 . 4.260 3.027 2.915 3.156 . 0 0 "[ . 1 . 2 . 3]" 1 1073 1 48 ALA MB 1 57 PHE H 3.700 . 3.700 3.137 2.882 3.311 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 48 ALA MB 1 57 PHE HA 2.970 . 2.970 1.960 1.895 2.029 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 48 ALA MB 1 57 PHE HB2 3.920 . 3.920 3.046 2.719 3.282 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 48 ALA MB 1 57 PHE HB3 4.580 . 4.580 4.117 3.895 4.294 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 48 ALA MB 1 57 PHE QD 3.720 . 3.720 2.644 2.426 2.888 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 48 ALA MB 1 57 PHE QE 4.810 . 4.810 4.278 4.082 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 48 ALA MB 1 58 SER H 5.220 . 5.220 4.760 4.691 4.822 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 48 ALA MB 1 60 VAL H 4.260 . 4.260 3.951 3.782 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 48 ALA MB 1 60 VAL HB 3.500 . 3.500 2.994 2.754 3.398 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 48 ALA MB 1 60 VAL MG1 3.510 . 3.510 2.850 1.976 3.334 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 48 ALA MB 1 60 VAL QG 2.730 . 2.730 2.205 1.964 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 48 ALA MB 1 60 VAL MG2 3.510 . 3.510 2.693 2.229 3.535 0.025 17 0 "[ . 1 . 2 . 3]" 1 1085 1 48 ALA MB 1 61 LEU H 5.010 . 5.010 4.701 4.584 4.797 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 49 LEU H 1 49 LEU HB2 3.270 . 3.270 2.451 2.356 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 49 LEU H 1 49 LEU HB3 3.290 . 3.290 2.481 2.439 2.536 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 49 LEU H 1 49 LEU MD1 4.410 . 4.410 4.114 3.988 4.241 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 49 LEU H 1 49 LEU QD 3.880 . 3.880 3.685 3.651 3.724 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 49 LEU H 1 49 LEU MD2 4.410 . 4.410 4.166 4.042 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 49 LEU H 1 49 LEU HG 4.820 . 4.820 4.453 4.428 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 49 LEU H 1 50 LEU H 3.340 . 3.340 2.591 2.537 2.626 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 49 LEU H 1 50 LEU HB2 5.120 . 5.120 5.055 4.959 5.122 0.002 18 0 "[ . 1 . 2 . 3]" 1 1094 1 49 LEU H 1 50 LEU MD2 4.270 . 4.270 4.301 4.276 4.341 0.071 20 0 "[ . 1 . 2 . 3]" 1 1095 1 49 LEU H 1 51 SER H 4.490 . 4.490 4.080 3.943 4.330 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 49 LEU H 1 51 SER HB2 5.500 . 5.500 5.355 5.230 5.527 0.027 2 0 "[ . 1 . 2 . 3]" 1 1097 1 49 LEU H 1 57 PHE HA 4.890 . 4.890 4.575 4.457 4.682 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 49 LEU H 1 57 PHE QD 3.990 . 3.990 2.995 2.869 3.185 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 49 LEU H 1 57 PHE QE 4.650 . 4.650 4.259 4.046 4.692 0.042 24 0 "[ . 1 . 2 . 3]" 1 1100 1 49 LEU H 1 60 VAL QG 5.440 . 5.440 4.896 4.279 5.260 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 49 LEU HA 1 49 LEU MD1 4.050 . 4.050 2.503 2.240 3.352 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 49 LEU HA 1 49 LEU QD 3.130 . 3.130 2.245 2.077 2.334 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 49 LEU HA 1 49 LEU MD2 4.050 . 4.050 3.574 2.098 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 49 LEU HA 1 51 SER H 4.690 . 4.690 4.178 4.057 4.382 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 49 LEU HA 1 57 PHE H 5.500 . 5.500 5.447 5.261 5.524 0.024 15 0 "[ . 1 . 2 . 3]" 1 1106 1 49 LEU HA 1 57 PHE HB2 4.290 . 4.290 3.276 3.079 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 49 LEU HA 1 57 PHE HB3 5.060 . 5.060 4.832 4.664 4.971 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 49 LEU HA 1 57 PHE QD 4.350 . 4.350 2.715 2.370 3.007 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 49 LEU HB2 1 49 LEU MD1 3.460 . 3.460 2.412 2.177 3.189 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 49 LEU HB2 1 49 LEU MD2 3.460 . 3.460 2.562 2.514 2.641 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 49 LEU HB2 1 50 LEU H 4.120 . 4.120 3.792 3.746 3.871 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 49 LEU HB2 1 57 PHE QD 4.070 . 4.070 2.603 2.427 2.803 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 49 LEU HB2 1 57 PHE QE 3.860 . 3.860 2.538 2.188 3.105 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 49 LEU HB3 1 50 LEU H 3.390 . 3.390 2.501 2.393 2.553 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 49 LEU HB3 1 50 LEU MD2 4.220 . 4.220 2.745 2.680 2.790 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 49 LEU HB3 1 51 SER H 5.500 . 5.500 4.820 4.710 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 49 LEU HB3 1 57 PHE QD 5.000 . 5.000 4.087 3.943 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 49 LEU HB3 1 57 PHE QE 5.010 . 5.010 4.202 3.849 4.787 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 49 LEU QD 1 50 LEU H 3.840 . 3.840 3.649 3.267 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 49 LEU QD 1 50 LEU HA 4.150 . 4.150 3.731 2.780 4.069 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 49 LEU QD 1 50 LEU MD2 3.460 . 3.460 2.528 2.294 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 49 LEU QD 1 51 SER H 5.440 . 5.440 5.000 4.392 5.223 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 49 LEU QD 1 52 GLY H 5.440 . 5.440 4.432 3.754 4.706 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 49 LEU QD 1 57 PHE HB2 4.970 . 4.970 4.025 3.806 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 49 LEU QD 1 57 PHE HB3 5.310 . 5.310 4.820 4.630 5.078 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 49 LEU QD 1 57 PHE QD 3.830 . 3.830 3.042 2.790 3.218 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 49 LEU QD 1 57 PHE QE 3.520 . 3.520 2.518 2.299 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 49 LEU QD 1 57 PHE HZ 4.160 . 4.160 3.607 3.398 4.173 0.013 26 0 "[ . 1 . 2 . 3]" 1 1129 1 49 LEU MD1 1 50 LEU H 4.930 . 4.930 4.436 3.372 4.760 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 49 LEU MD1 1 50 LEU HA 5.340 . 5.340 4.678 2.808 5.341 0.001 14 0 "[ . 1 . 2 . 3]" 1 1131 1 49 LEU MD1 1 57 PHE QD 4.750 . 4.750 3.458 2.971 4.794 0.044 30 0 "[ . 1 . 2 . 3]" 1 1132 1 49 LEU MD1 1 57 PHE QE 4.340 . 4.340 2.916 2.319 4.423 0.083 9 0 "[ . 1 . 2 . 3]" 1 1133 1 49 LEU MD2 1 50 LEU H 4.930 . 4.930 4.021 3.812 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 49 LEU MD2 1 50 LEU HA 5.340 . 5.340 4.201 4.050 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 49 LEU MD2 1 57 PHE QD 4.750 . 4.750 4.286 2.810 4.751 0.001 25 0 "[ . 1 . 2 . 3]" 1 1136 1 49 LEU MD2 1 57 PHE QE 4.340 . 4.340 3.493 2.479 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 49 LEU HG 1 50 LEU H 4.920 . 4.920 4.106 3.794 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 49 LEU HG 1 50 LEU HA 5.500 . 5.500 4.120 3.545 5.525 0.025 9 0 "[ . 1 . 2 . 3]" 1 1139 1 50 LEU H 1 50 LEU HB2 3.210 . 3.210 2.724 2.670 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 50 LEU H 1 50 LEU HB3 3.690 . 3.690 3.639 3.623 3.648 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 50 LEU H 1 50 LEU MD1 3.930 . 3.930 3.820 3.791 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 50 LEU H 1 50 LEU MD2 3.190 . 3.190 2.588 2.547 2.639 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 50 LEU H 1 50 LEU HG 3.120 . 3.120 2.291 2.243 2.336 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 50 LEU H 1 51 SER H 3.210 . 3.210 2.638 2.571 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 50 LEU H 1 51 SER HA 5.500 . 5.500 5.276 5.235 5.384 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 50 LEU H 1 52 GLY H 4.660 . 4.660 4.111 3.986 4.250 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 50 LEU H 1 57 PHE QD 5.500 . 5.500 5.164 4.993 5.411 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 50 LEU HA 1 50 LEU MD2 3.350 . 3.350 2.367 2.264 2.414 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 50 LEU HA 1 52 GLY H 4.320 . 4.320 3.944 3.809 4.068 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 50 LEU HB2 1 50 LEU MD2 3.280 . 3.280 3.230 3.226 3.233 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 50 LEU HB2 1 51 SER H 3.960 . 3.960 2.791 2.680 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 1152 1 50 LEU HB3 1 50 LEU MD1 3.090 . 3.090 2.260 2.238 2.277 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 50 LEU HB3 1 51 SER H 4.240 . 4.240 3.929 3.838 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 50 LEU HB3 1 52 GLY H 5.500 . 5.500 5.399 5.253 5.502 0.002 17 0 "[ . 1 . 2 . 3]" 1 1155 1 50 LEU MD1 1 51 SER H 5.200 . 5.200 4.730 4.627 4.814 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 50 LEU MD2 1 51 SER H 4.720 . 4.720 4.474 4.424 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 50 LEU MD2 1 52 GLY H 5.500 . 5.500 5.353 5.179 5.442 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 50 LEU HG 1 51 SER H 4.260 . 4.260 4.173 4.068 4.265 0.005 4 0 "[ . 1 . 2 . 3]" 1 1159 1 51 SER H 1 51 SER HB2 3.150 . 3.150 2.376 2.139 2.425 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 51 SER H 1 51 SER HB3 3.500 . 3.500 3.299 2.474 3.543 0.043 20 0 "[ . 1 . 2 . 3]" 1 1161 1 51 SER H 1 51 SER HG 4.860 . 4.860 2.587 2.007 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 51 SER H 1 52 GLY H 3.130 . 3.130 2.542 2.491 2.618 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 51 SER H 1 52 GLY QA 4.950 . 4.950 4.467 4.405 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 51 SER H 1 53 ASP H 4.710 . 4.710 4.301 4.091 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 51 SER H 1 56 LYS QD 5.200 . 5.200 4.134 3.992 4.363 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 51 SER H 1 56 LYS QE 5.320 . 5.320 4.385 4.093 4.550 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 51 SER HA 1 56 LYS QE 5.500 . 5.500 5.522 5.453 5.548 0.048 20 0 "[ . 1 . 2 . 3]" 1 1168 1 51 SER HB3 1 52 GLY H 4.170 . 4.170 3.772 2.942 4.068 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 51 SER HB3 1 53 ASP H 3.280 . 3.280 2.917 2.327 3.177 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 51 SER HB3 1 56 LYS QD 3.940 . 3.940 2.431 1.921 2.659 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 51 SER HB3 1 56 LYS HG2 5.500 . 5.500 4.362 3.428 4.826 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 51 SER HG 1 53 ASP H 5.060 . 5.060 4.443 2.942 5.060 0.000 24 0 "[ . 1 . 2 . 3]" 1 1173 1 52 GLY H 1 53 ASP H 3.100 . 3.100 2.892 2.702 3.105 0.005 1 0 "[ . 1 . 2 . 3]" 1 1174 1 52 GLY H 1 53 ASP HB2 5.180 . 5.180 4.987 4.465 5.211 0.031 29 0 "[ . 1 . 2 . 3]" 1 1175 1 52 GLY H 1 57 PHE HB2 5.270 . 5.270 5.252 5.141 5.283 0.013 17 0 "[ . 1 . 2 . 3]" 1 1176 1 53 ASP H 1 53 ASP HB2 3.090 . 3.090 2.328 2.052 2.541 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 53 ASP H 1 53 ASP HB3 3.430 . 3.430 2.942 2.535 3.475 0.045 4 0 "[ . 1 . 2 . 3]" 1 1178 1 53 ASP H 1 54 LEU H 4.730 . 4.730 4.447 4.326 4.535 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 53 ASP H 1 56 LYS H 5.490 . 5.490 5.256 5.077 5.466 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 53 ASP H 1 56 LYS QD 4.490 . 4.490 3.347 2.886 3.616 . 0 0 "[ . 1 . 2 . 3]" 1 1181 1 53 ASP H 1 57 PHE H 5.500 . 5.500 5.248 5.032 5.452 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 53 ASP HA 1 54 LEU HB2 4.850 . 4.850 4.609 4.452 4.719 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 53 ASP HA 1 54 LEU HB3 4.900 . 4.900 4.595 4.437 4.661 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 53 ASP HA 1 56 LYS QB 5.500 . 5.500 5.568 5.498 5.736 0.236 20 0 "[ . 1 . 2 . 3]" 1 1185 1 53 ASP HA 1 56 LYS QD 5.500 . 5.500 4.735 4.528 5.040 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 53 ASP HB2 1 54 LEU H 4.730 . 4.730 4.503 4.422 4.619 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 53 ASP HB2 1 56 LYS H 4.210 . 4.210 3.870 3.303 4.203 . 0 0 "[ . 1 . 2 . 3]" 1 1188 1 53 ASP HB2 1 56 LYS QB 3.960 . 3.960 3.939 3.548 4.110 0.150 2 0 "[ . 1 . 2 . 3]" 1 1189 1 53 ASP HB2 1 56 LYS QD 4.780 . 4.780 2.611 2.030 3.060 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 53 ASP HB3 1 54 LEU H 4.980 . 4.980 4.083 3.751 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 53 ASP HB3 1 56 LYS H 3.700 . 3.700 2.588 1.975 3.015 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 53 ASP HB3 1 56 LYS QB 3.620 . 3.620 3.097 2.836 3.418 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 53 ASP HB3 1 56 LYS QD 4.200 . 4.200 2.546 2.153 3.091 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 53 ASP HB3 1 56 LYS HG2 4.910 . 4.910 2.078 1.930 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 53 ASP HB3 1 56 LYS HG3 5.240 . 5.240 3.740 3.517 4.296 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 54 LEU H 1 54 LEU HB2 3.820 . 3.820 2.508 2.446 2.622 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 54 LEU H 1 54 LEU HB3 3.820 . 3.820 2.524 2.444 2.574 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 54 LEU H 1 54 LEU QD . . 4.340 3.758 3.694 3.774 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 54 LEU H 1 54 LEU HG 4.650 . 4.650 4.554 4.420 4.591 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 54 LEU H 1 55 GLU H 3.320 . 3.320 2.585 2.499 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 54 LEU H 1 55 GLU QB 5.500 . 5.500 4.766 4.531 4.968 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 54 LEU H 1 56 LYS H 4.780 . 4.780 4.506 4.196 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 54 LEU HA 1 54 LEU QD . . 2.930 2.152 2.083 2.265 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 54 LEU HA 1 57 PHE H 3.680 . 3.680 3.306 3.104 3.412 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 54 LEU HA 1 57 PHE HB2 4.780 . 4.780 3.231 3.071 3.370 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 54 LEU HA 1 57 PHE HB3 3.700 . 3.700 2.323 2.218 2.421 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 54 LEU HA 1 57 PHE QD 5.330 . 5.330 3.926 3.780 4.048 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 54 LEU HA 1 58 SER H 3.960 . 3.960 3.619 3.508 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 54 LEU HB2 1 54 LEU QD . . 3.000 2.510 2.121 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 54 LEU HB2 1 55 GLU H 4.190 . 4.190 3.935 3.848 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 54 LEU HB2 1 57 PHE HB3 5.430 . 5.430 4.685 4.517 4.826 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 54 LEU HB3 1 54 LEU QD . . 2.960 2.187 2.066 2.213 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 54 LEU HB3 1 55 GLU H 3.400 . 3.400 2.734 2.632 2.767 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 54 LEU QD 1 55 GLU H . . 4.690 3.399 3.320 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 54 LEU QD 1 55 GLU HA 4.510 . 4.510 2.929 2.747 3.798 . 0 0 "[ . 1 . 2 . 3]" 1 1216 1 54 LEU QD 1 56 LYS H 5.500 . 5.500 4.739 4.626 5.020 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 54 LEU QD 1 57 PHE H 4.620 . 4.620 3.953 3.840 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 54 LEU QD 1 57 PHE HB2 4.170 . 4.170 3.818 3.649 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 54 LEU QD 1 57 PHE HB3 4.030 . 4.030 2.463 2.284 2.801 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 54 LEU QD 1 57 PHE QD 3.400 . 3.400 2.483 2.301 2.735 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 54 LEU QD 1 57 PHE QE 5.320 . 5.320 3.972 3.790 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 54 LEU QD 1 58 SER H 4.070 . 4.070 2.700 2.590 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 54 LEU QD 1 58 SER HA 5.090 . 5.090 3.729 3.552 4.483 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 54 LEU QD 1 58 SER QB 4.450 . 4.450 2.245 2.083 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 54 LEU QD 1 59 ARG H 5.440 . 5.440 4.519 4.356 5.476 0.036 11 0 "[ . 1 . 2 . 3]" 1 1226 1 54 LEU HG 1 55 GLU H 5.070 . 5.070 5.006 3.775 5.122 0.052 2 0 "[ . 1 . 2 . 3]" 1 1227 1 54 LEU HG 1 58 SER H 5.500 . 5.500 5.389 3.350 5.558 0.058 20 0 "[ . 1 . 2 . 3]" 1 1228 1 55 GLU H 1 55 GLU QB 2.780 . 2.780 2.554 2.322 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 55 GLU H 1 55 GLU HG2 3.520 . 3.520 2.321 1.890 3.525 0.005 28 0 "[ . 1 . 2 . 3]" 1 1230 1 55 GLU H 1 55 GLU HG3 3.520 . 3.520 2.992 1.973 3.521 0.001 22 0 "[ . 1 . 2 . 3]" 1 1231 1 55 GLU H 1 56 LYS H 3.010 . 3.010 2.872 2.576 2.977 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 55 GLU H 1 56 LYS QB 5.220 . 5.220 5.060 4.891 5.229 0.009 4 0 "[ . 1 . 2 . 3]" 1 1233 1 55 GLU H 1 56 LYS HG2 5.500 . 5.500 4.785 4.553 5.023 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 55 GLU H 1 57 PHE H 4.520 . 4.520 4.053 3.962 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 55 GLU H 1 58 SER H 4.870 . 4.870 4.727 4.677 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 1236 1 55 GLU HA 1 55 GLU HG2 4.000 . 4.000 3.119 2.381 4.057 0.057 10 0 "[ . 1 . 2 . 3]" 1 1237 1 55 GLU HA 1 55 GLU QG 3.470 . 3.470 2.916 2.343 3.401 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 55 GLU HA 1 55 GLU HG3 4.000 . 4.000 3.710 3.365 3.841 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 55 GLU HA 1 58 SER H 4.900 . 4.900 3.733 3.459 4.046 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 55 GLU QB 1 56 LYS H 3.390 . 3.390 2.555 2.112 3.457 0.067 11 0 "[ . 1 . 2 . 3]" 1 1241 1 55 GLU QB 1 57 PHE H 5.260 . 5.260 4.653 4.351 5.186 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 55 GLU QB 1 58 SER H 5.500 . 5.500 5.093 4.977 5.231 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 55 GLU HG2 1 56 LYS H 4.510 . 4.510 4.047 2.891 4.577 0.067 20 0 "[ . 1 . 2 . 3]" 1 1244 1 55 GLU HG3 1 56 LYS H 4.510 . 4.510 3.842 1.976 4.549 0.039 15 0 "[ . 1 . 2 . 3]" 1 1245 1 56 LYS H 1 56 LYS QB 2.710 . 2.710 2.457 2.326 2.731 0.021 11 0 "[ . 1 . 2 . 3]" 1 1246 1 56 LYS H 1 56 LYS QD 4.020 . 4.020 3.673 3.502 3.867 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 56 LYS H 1 56 LYS QE 5.110 . 5.110 4.994 4.810 5.123 0.013 23 0 "[ . 1 . 2 . 3]" 1 1248 1 56 LYS H 1 56 LYS HG2 3.600 . 3.600 2.575 2.251 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 56 LYS H 1 56 LYS HG3 4.490 . 4.490 3.866 3.601 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 56 LYS H 1 57 PHE H 3.080 . 3.080 2.629 2.350 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 1251 1 56 LYS H 1 57 PHE HB3 5.020 . 5.020 4.897 4.531 5.028 0.008 7 0 "[ . 1 . 2 . 3]" 1 1252 1 56 LYS H 1 58 SER H 4.660 . 4.660 4.403 4.042 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 56 LYS H 1 59 ARG H 4.900 . 4.900 4.696 4.532 4.809 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 56 LYS H 1 60 VAL QG 5.440 . 5.440 5.579 5.468 5.739 0.299 15 0 "[ . 1 . 2 . 3]" 1 1255 1 56 LYS HA 1 56 LYS QD 4.560 . 4.560 4.323 4.274 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 56 LYS HA 1 56 LYS QE 5.060 . 5.060 4.470 4.339 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 1257 1 56 LYS HA 1 56 LYS HG2 4.000 . 4.000 3.742 3.709 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 56 LYS HA 1 56 LYS HG3 4.030 . 4.030 3.748 3.641 3.857 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 56 LYS HA 1 59 ARG HB3 3.380 . 3.380 2.438 2.209 2.685 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 56 LYS HA 1 59 ARG QD 4.640 . 4.640 3.571 3.024 4.644 0.004 9 0 "[ . 1 . 2 . 3]" 1 1261 1 56 LYS HA 1 60 VAL H 4.720 . 4.720 3.721 3.612 3.878 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 56 LYS QB 1 56 LYS QE 3.830 . 3.830 2.280 2.147 2.370 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 56 LYS QB 1 57 PHE H 3.570 . 3.570 3.587 3.565 3.620 0.050 4 0 "[ . 1 . 2 . 3]" 1 1264 1 56 LYS QB 1 58 SER H 5.500 . 5.500 5.452 5.326 5.519 0.019 16 0 "[ . 1 . 2 . 3]" 1 1265 1 56 LYS QB 1 60 VAL QG 4.640 . 4.640 3.496 3.135 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 56 LYS QD 1 57 PHE H 4.840 . 4.840 4.339 4.226 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 56 LYS QE 1 56 LYS HG2 3.420 . 3.420 3.302 3.217 3.355 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 56 LYS QE 1 56 LYS HG3 3.440 . 3.440 2.306 2.212 2.396 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 56 LYS QE 1 60 VAL QG 4.710 . 4.710 4.005 3.574 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 56 LYS HG2 1 57 PHE H 4.880 . 4.880 2.498 2.359 2.691 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 56 LYS HG3 1 57 PHE H 5.010 . 5.010 3.181 2.982 3.312 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 56 LYS HG3 1 57 PHE HB2 5.500 . 5.500 4.208 4.044 4.368 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 56 LYS HG3 1 60 VAL H 5.500 . 5.500 5.318 5.084 5.506 0.006 5 0 "[ . 1 . 2 . 3]" 1 1274 1 56 LYS HG3 1 60 VAL QG 4.920 . 4.920 3.863 3.602 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 57 PHE H 1 57 PHE HB2 3.120 . 3.120 2.520 2.446 2.586 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 57 PHE H 1 57 PHE HB3 3.160 . 3.160 2.559 2.493 2.619 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 57 PHE H 1 57 PHE QD 4.310 . 4.310 4.222 4.195 4.268 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 57 PHE H 1 58 SER H 3.250 . 3.250 2.853 2.722 2.954 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 57 PHE H 1 58 SER HA 5.500 . 5.500 5.446 5.356 5.503 0.003 14 0 "[ . 1 . 2 . 3]" 1 1280 1 57 PHE H 1 59 ARG H 4.280 . 4.280 4.130 4.022 4.281 0.001 22 0 "[ . 1 . 2 . 3]" 1 1281 1 57 PHE H 1 60 VAL QG 5.050 . 5.050 4.620 4.085 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 57 PHE HA 1 57 PHE QD 4.120 . 4.120 2.799 2.613 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 57 PHE HA 1 60 VAL H 3.950 . 3.950 3.749 3.655 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 57 PHE HA 1 60 VAL HB 4.970 . 4.970 3.620 3.163 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 57 PHE HA 1 60 VAL QG 4.910 . 4.910 3.241 2.148 3.711 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 57 PHE HA 1 61 LEU QD 5.070 . 5.070 4.830 4.641 4.968 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 57 PHE HB2 1 58 SER H 4.060 . 4.060 3.828 3.792 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 57 PHE HB3 1 58 SER H 3.420 . 3.420 2.446 2.395 2.512 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 57 PHE QD 1 58 SER H 4.080 . 4.080 3.274 3.120 3.442 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 57 PHE QD 1 58 SER HA 4.990 . 4.990 3.327 3.060 3.641 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 57 PHE QD 1 61 LEU QD 5.300 . 5.300 3.383 3.238 3.504 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 57 PHE QE 1 61 LEU MD1 3.880 . 3.880 2.475 2.325 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 57 PHE QE 1 61 LEU MD2 3.880 . 3.880 3.395 3.126 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 57 PHE HZ 1 61 LEU QD 3.910 . 3.910 2.953 2.830 3.078 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 58 SER H 1 58 SER HB2 3.390 . 3.390 2.463 2.419 2.505 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 58 SER H 1 58 SER QB 2.900 . 2.900 2.210 2.190 2.226 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 58 SER H 1 58 SER HB3 3.390 . 3.390 2.502 2.441 2.560 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 58 SER H 1 59 ARG H 3.240 . 3.240 2.726 2.656 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 58 SER H 1 59 ARG HB2 5.500 . 5.500 5.102 4.946 5.346 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 58 SER H 1 59 ARG HB3 4.910 . 4.910 4.914 4.768 4.964 0.054 24 0 "[ . 1 . 2 . 3]" 1 1301 1 58 SER H 1 60 VAL H 4.450 . 4.450 4.391 4.316 4.451 0.001 21 0 "[ . 1 . 2 . 3]" 1 1302 1 58 SER H 1 60 VAL QG 5.320 . 5.320 5.057 4.384 5.363 0.043 4 0 "[ . 1 . 2 . 3]" 1 1303 1 58 SER H 1 61 LEU H 5.260 . 5.260 4.610 4.550 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 58 SER H 1 61 LEU MD1 5.500 . 5.500 5.502 5.305 5.557 0.057 15 0 "[ . 1 . 2 . 3]" 1 1305 1 58 SER H 1 61 LEU MD2 5.500 . 5.500 5.537 5.191 5.662 0.162 2 0 "[ . 1 . 2 . 3]" 1 1306 1 58 SER HA 1 60 VAL H 4.920 . 4.920 4.600 4.494 4.772 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 58 SER HA 1 60 VAL QG 5.440 . 5.440 5.279 4.570 5.613 0.173 20 0 "[ . 1 . 2 . 3]" 1 1308 1 58 SER HA 1 61 LEU H 3.810 . 3.810 3.360 3.225 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 58 SER HA 1 61 LEU HB2 4.050 . 4.050 2.724 2.390 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 58 SER HA 1 61 LEU HB3 3.930 . 3.930 2.642 2.444 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 58 SER HA 1 61 LEU MD1 4.610 . 4.610 3.856 3.684 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 58 SER HA 1 61 LEU QD 3.740 . 3.740 3.092 2.639 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 58 SER HA 1 61 LEU MD2 4.610 . 4.610 3.259 2.701 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 58 SER HA 1 62 VAL H 4.630 . 4.630 4.144 3.890 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 58 SER HA 1 62 VAL QG 5.440 . 5.440 4.469 3.874 4.869 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 58 SER QB 1 59 ARG H 3.430 . 3.430 2.553 2.462 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 59 ARG H 1 59 ARG HA 2.880 . 2.880 2.861 2.840 2.882 0.002 3 0 "[ . 1 . 2 . 3]" 1 1318 1 59 ARG H 1 59 ARG HB2 3.040 . 3.040 2.523 2.342 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 1319 1 59 ARG H 1 59 ARG HB3 2.950 . 2.950 2.464 2.329 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 59 ARG H 1 59 ARG QD 4.590 . 4.590 4.333 4.015 4.616 0.026 12 0 "[ . 1 . 2 . 3]" 1 1321 1 59 ARG H 1 59 ARG QG 4.500 . 4.500 4.018 3.939 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 59 ARG H 1 60 VAL H 3.110 . 3.110 2.749 2.634 2.833 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 59 ARG H 1 60 VAL QG 4.400 . 4.400 4.177 3.953 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 59 ARG H 1 61 LEU H 4.290 . 4.290 3.915 3.802 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 1325 1 59 ARG HA 1 59 ARG QD 4.690 . 4.690 3.871 3.443 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 59 ARG HA 1 59 ARG QG 3.610 . 3.610 2.470 2.332 2.580 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 59 ARG HA 1 62 VAL H 4.110 . 4.110 3.637 3.416 3.808 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 59 ARG HA 1 62 VAL QG 3.430 . 3.430 2.743 2.169 3.363 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 59 ARG HB2 1 59 ARG QD 3.670 . 3.670 3.139 2.506 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 59 ARG HB2 1 60 VAL QG 5.440 . 5.440 4.759 4.459 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 59 ARG HB2 1 62 VAL QG 5.440 . 5.440 4.733 4.293 5.220 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 59 ARG HB3 1 59 ARG QD 3.730 . 3.730 2.253 1.991 2.757 . 0 0 "[ . 1 . 2 . 3]" 1 1333 1 59 ARG HB3 1 60 VAL H 3.150 . 3.150 2.485 2.383 2.573 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 59 ARG HB3 1 60 VAL QG 4.660 . 4.660 3.358 2.957 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 59 ARG QD 1 60 VAL H 4.730 . 4.730 3.295 2.777 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 59 ARG QD 1 60 VAL MG1 5.500 . 5.500 4.509 3.980 5.584 0.084 22 0 "[ . 1 . 2 . 3]" 1 1337 1 59 ARG QD 1 60 VAL MG2 5.500 . 5.500 3.120 2.173 5.363 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 59 ARG QD 1 62 VAL QG 5.440 . 5.440 4.993 3.955 5.570 0.130 8 0 "[ . 1 . 2 . 3]" 1 1339 1 59 ARG QD 1 63 GLU QG 4.440 . 4.440 3.545 2.536 4.514 0.074 11 0 "[ . 1 . 2 . 3]" 1 1340 1 59 ARG QG 1 63 GLU QG 4.250 . 4.250 3.126 2.359 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 60 VAL H 1 60 VAL HB 2.960 . 2.960 2.527 2.384 2.619 . 0 0 "[ . 1 . 2 . 3]" 1 1342 1 60 VAL H 1 60 VAL MG1 3.980 . 3.980 3.313 2.112 3.844 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 60 VAL H 1 60 VAL QG 2.750 . 2.750 2.198 2.102 2.261 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 60 VAL H 1 60 VAL MG2 3.980 . 3.980 2.696 2.170 3.819 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 60 VAL H 1 61 LEU H 2.930 . 2.930 2.543 2.501 2.587 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 60 VAL H 1 61 LEU HB2 4.640 . 4.640 4.638 4.561 4.660 0.020 17 0 "[ . 1 . 2 . 3]" 1 1347 1 60 VAL H 1 61 LEU HB3 5.500 . 5.500 5.008 4.896 5.212 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 60 VAL H 1 63 GLU H 5.000 . 5.000 4.839 4.707 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 60 VAL H 1 63 GLU HB2 5.230 . 5.230 5.128 4.849 5.244 0.014 29 0 "[ . 1 . 2 . 3]" 1 1350 1 60 VAL H 1 63 GLU QG 5.340 . 5.340 4.858 4.296 5.287 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 60 VAL HA 1 60 VAL MG1 3.500 . 3.500 2.608 2.296 3.203 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 60 VAL HA 1 60 VAL QG 2.930 . 2.930 2.146 2.094 2.250 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 60 VAL HA 1 60 VAL MG2 3.500 . 3.500 2.350 2.249 2.416 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 60 VAL HA 1 63 GLU H 3.610 . 3.610 3.211 2.981 3.371 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 60 VAL HA 1 63 GLU HB2 3.550 . 3.550 2.386 2.118 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 60 VAL HA 1 63 GLU HG2 4.850 . 4.850 3.940 2.445 4.867 0.017 9 0 "[ . 1 . 2 . 3]" 1 1357 1 60 VAL HA 1 63 GLU QG 4.240 . 4.240 3.023 2.317 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 1358 1 60 VAL HA 1 63 GLU HG3 4.850 . 4.850 3.221 2.484 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 1359 1 60 VAL HA 1 64 GLN H 4.360 . 4.360 3.829 3.620 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 60 VAL HB 1 61 LEU H 4.180 . 4.180 3.258 2.798 4.126 . 0 0 "[ . 1 . 2 . 3]" 1 1361 1 60 VAL QG 1 61 LEU H 3.460 . 3.460 3.110 2.409 3.451 . 0 0 "[ . 1 . 2 . 3]" 1 1362 1 60 VAL QG 1 61 LEU HA 4.710 . 4.710 3.512 3.183 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 1363 1 60 VAL QG 1 61 LEU HB2 5.030 . 5.030 4.317 3.468 4.736 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 60 VAL QG 1 63 GLU H 4.610 . 4.610 4.201 4.049 4.305 . 0 0 "[ . 1 . 2 . 3]" 1 1365 1 60 VAL QG 1 63 GLU HB2 4.270 . 4.270 3.082 2.806 3.300 . 0 0 "[ . 1 . 2 . 3]" 1 1366 1 60 VAL QG 1 63 GLU HB3 4.620 . 4.620 4.065 3.852 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 60 VAL QG 1 64 GLN H 4.120 . 4.120 3.565 3.407 3.702 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 60 VAL QG 1 64 GLN QE 3.440 . 3.440 2.837 2.006 3.591 0.151 26 0 "[ . 1 . 2 . 3]" 1 1369 1 60 VAL QG 1 64 GLN QG 3.220 . 3.220 2.307 1.999 3.249 0.029 22 0 "[ . 1 . 2 . 3]" 1 1370 1 60 VAL QG 1 65 GLN H 5.440 . 5.440 5.476 5.332 5.635 0.195 12 0 "[ . 1 . 2 . 3]" 1 1371 1 60 VAL MG1 1 61 LEU H 4.120 . 4.120 3.315 2.429 3.795 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 60 VAL MG1 1 63 GLU HB2 5.360 . 5.360 3.664 3.019 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 60 VAL MG1 1 64 GLN H 5.500 . 5.500 3.934 3.451 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 60 VAL MG2 1 61 LEU H 4.120 . 4.120 4.004 3.945 4.083 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 60 VAL MG2 1 63 GLU HB2 5.360 . 5.360 3.799 2.831 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 60 VAL MG2 1 64 GLN H 5.500 . 5.500 4.893 3.656 5.516 0.016 12 0 "[ . 1 . 2 . 3]" 1 1377 1 61 LEU H 1 61 LEU HB2 3.090 . 3.090 2.291 2.195 2.335 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 61 LEU H 1 61 LEU HB3 3.180 . 3.180 2.742 2.606 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 1379 1 61 LEU H 1 61 LEU QD 3.790 . 3.790 3.598 3.452 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 1380 1 61 LEU H 1 61 LEU HG 4.660 . 4.660 4.485 4.446 4.521 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 61 LEU H 1 62 VAL H 3.290 . 3.290 2.847 2.715 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 1382 1 61 LEU H 1 62 VAL HB 5.500 . 5.500 5.261 4.976 5.437 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 61 LEU H 1 63 GLU H 4.340 . 4.340 4.199 4.063 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 61 LEU H 1 64 GLN H 5.290 . 5.290 4.730 4.642 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 1385 1 61 LEU H 1 64 GLN QB 5.340 . 5.340 4.997 4.806 5.347 0.007 26 0 "[ . 1 . 2 . 3]" 1 1386 1 61 LEU HA 1 61 LEU QD 3.270 . 3.270 2.499 2.269 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 1387 1 61 LEU HA 1 61 LEU HG 4.000 . 4.000 2.561 2.456 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 61 LEU HA 1 64 GLN H 4.170 . 4.170 3.626 3.462 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 61 LEU HA 1 64 GLN QB 4.370 . 4.370 2.789 2.583 3.216 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 61 LEU HB2 1 61 LEU MD1 3.640 . 3.640 2.132 2.085 2.178 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 61 LEU HB2 1 61 LEU QD 3.050 . 3.050 2.066 2.035 2.098 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 61 LEU HB2 1 61 LEU MD2 3.640 . 3.640 2.776 2.645 2.855 . 0 0 "[ . 1 . 2 . 3]" 1 1393 1 61 LEU HB2 1 62 VAL H 3.730 . 3.730 3.702 3.534 3.742 0.012 9 0 "[ . 1 . 2 . 3]" 1 1394 1 61 LEU HB2 1 62 VAL QG 5.440 . 5.440 4.833 4.368 5.155 . 0 0 "[ . 1 . 2 . 3]" 1 1395 1 61 LEU HB3 1 61 LEU MD1 3.350 . 3.350 3.067 3.015 3.122 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 61 LEU HB3 1 61 LEU MD2 3.350 . 3.350 2.106 2.008 2.165 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 61 LEU HB3 1 62 VAL H 3.390 . 3.390 2.500 2.428 2.585 . 0 0 "[ . 1 . 2 . 3]" 1 1398 1 61 LEU HB3 1 62 VAL QG 4.180 . 4.180 3.619 3.031 4.095 . 0 0 "[ . 1 . 2 . 3]" 1 1399 1 61 LEU HB3 1 63 GLU H 5.500 . 5.500 4.940 4.836 5.058 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 61 LEU QD 1 62 VAL H 3.890 . 3.890 3.765 3.616 3.929 0.039 23 0 "[ . 1 . 2 . 3]" 1 1401 1 61 LEU QD 1 64 GLN H 5.440 . 5.440 5.226 5.094 5.372 . 0 0 "[ . 1 . 2 . 3]" 1 1402 1 61 LEU QD 1 64 GLN QG 5.280 . 5.280 4.578 4.238 5.360 0.080 12 0 "[ . 1 . 2 . 3]" 1 1403 1 61 LEU QD 1 65 GLN H 5.440 . 5.440 4.927 4.736 5.358 . 0 0 "[ . 1 . 2 . 3]" 1 1404 1 61 LEU QD 1 65 GLN HE21 4.790 . 4.790 2.710 2.501 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 61 LEU QD 1 65 GLN HE22 4.490 . 4.490 2.475 2.109 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 1406 1 61 LEU QD 1 65 GLN QG 4.410 . 4.410 3.618 3.162 4.602 0.192 7 0 "[ . 1 . 2 . 3]" 1 1407 1 61 LEU MD1 1 62 VAL H 4.920 . 4.920 4.832 4.765 4.889 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 61 LEU MD1 1 65 GLN HE21 5.500 . 5.500 4.767 3.882 5.016 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 61 LEU MD1 1 65 GLN HE22 5.120 . 5.120 3.956 3.634 4.506 . 0 0 "[ . 1 . 2 . 3]" 1 1410 1 61 LEU MD2 1 62 VAL H 4.920 . 4.920 3.930 3.737 4.176 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 61 LEU MD2 1 65 GLN HE21 5.500 . 5.500 2.739 2.510 3.931 . 0 0 "[ . 1 . 2 . 3]" 1 1412 1 61 LEU MD2 1 65 GLN HE22 5.120 . 5.120 2.506 2.117 3.110 . 0 0 "[ . 1 . 2 . 3]" 1 1413 1 61 LEU HG 1 62 VAL H 4.510 . 4.510 4.289 4.136 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 1414 1 61 LEU HG 1 65 GLN HE22 5.500 . 5.500 2.424 2.015 2.995 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 62 VAL H 1 62 VAL HB 2.920 . 2.920 2.598 2.510 2.662 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 62 VAL H 1 62 VAL MG1 3.850 . 3.850 2.889 2.128 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 62 VAL H 1 62 VAL QG 2.800 . 2.800 2.143 2.044 2.212 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 62 VAL H 1 62 VAL MG2 3.850 . 3.850 3.093 2.052 3.852 0.002 9 0 "[ . 1 . 2 . 3]" 1 1419 1 62 VAL H 1 63 GLU H 3.110 . 3.110 2.627 2.522 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 1420 1 62 VAL H 1 63 GLU HB2 5.230 . 5.230 4.745 4.518 4.880 . 0 0 "[ . 1 . 2 . 3]" 1 1421 1 62 VAL H 1 63 GLU QG 4.920 . 4.920 4.423 4.068 4.681 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 62 VAL H 1 64 GLN H 4.480 . 4.480 4.148 4.019 4.321 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 62 VAL H 1 65 GLN QB 5.500 . 5.500 5.003 4.719 5.314 . 0 0 "[ . 1 . 2 . 3]" 1 1424 1 62 VAL HA 1 62 VAL QG 2.940 . 2.940 2.202 2.101 2.271 . 0 0 "[ . 1 . 2 . 3]" 1 1425 1 62 VAL HA 1 64 GLN H 4.810 . 4.810 4.337 4.180 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 62 VAL HA 1 65 GLN H 3.850 . 3.850 3.127 2.813 3.357 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 62 VAL HA 1 65 GLN QB 3.660 . 3.660 2.454 2.231 3.229 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 62 VAL HA 1 65 GLN HE22 5.470 . 5.470 3.114 2.231 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 62 VAL HA 1 65 GLN HG2 4.870 . 4.870 4.551 2.029 4.881 0.011 8 0 "[ . 1 . 2 . 3]" 1 1430 1 62 VAL HA 1 65 GLN QG 4.250 . 4.250 3.247 2.005 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 1431 1 62 VAL HA 1 65 GLN HG3 4.870 . 4.870 3.410 3.038 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 62 VAL HA 1 66 GLN H 4.300 . 4.300 4.050 3.684 4.307 0.007 13 0 "[ . 1 . 2 . 3]" 1 1433 1 62 VAL HA 1 66 GLN QG 5.180 . 5.180 4.258 3.866 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 62 VAL HB 1 63 GLU H 4.050 . 4.050 3.421 2.499 4.081 0.031 20 0 "[ . 1 . 2 . 3]" 1 1435 1 62 VAL HB 1 66 GLN HE22 5.500 . 5.500 4.640 3.840 5.510 0.010 9 0 "[ . 1 . 2 . 3]" 1 1436 1 62 VAL QG 1 63 GLU HA 3.850 . 3.850 3.318 3.204 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1437 1 62 VAL QG 1 63 GLU HB2 5.440 . 5.440 4.396 3.912 5.060 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 62 VAL QG 1 63 GLU QG 4.440 . 4.440 3.151 2.430 4.164 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 62 VAL QG 1 65 GLN H 5.180 . 5.180 4.137 3.908 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 62 VAL QG 1 65 GLN QB 3.830 . 3.830 3.178 2.891 4.071 0.241 7 0 "[ . 1 . 2 . 3]" 1 1441 1 62 VAL QG 1 65 GLN HE21 5.440 . 5.440 4.081 3.324 5.587 0.147 27 0 "[ . 1 . 2 . 3]" 1 1442 1 62 VAL QG 1 65 GLN HE22 5.440 . 5.440 4.010 3.363 4.604 . 0 0 "[ . 1 . 2 . 3]" 1 1443 1 62 VAL QG 1 66 GLN H 4.500 . 4.500 3.783 3.652 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 1444 1 62 VAL QG 1 66 GLN HA 4.950 . 4.950 4.951 4.751 5.096 0.146 13 0 "[ . 1 . 2 . 3]" 1 1445 1 62 VAL QG 1 66 GLN QB 5.280 . 5.280 4.105 3.625 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 62 VAL QG 1 66 GLN HE21 3.930 . 3.930 3.215 2.836 3.892 . 0 0 "[ . 1 . 2 . 3]" 1 1447 1 62 VAL QG 1 66 GLN HE22 3.710 . 3.710 2.174 1.850 2.631 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 62 VAL QG 1 66 GLN QG 3.280 . 3.280 2.624 2.330 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 1449 1 62 VAL MG1 1 63 GLU H 3.770 . 3.770 2.831 2.319 3.551 . 0 0 "[ . 1 . 2 . 3]" 1 1450 1 62 VAL MG1 1 64 GLN H 5.500 . 5.500 4.753 4.467 5.163 . 0 0 "[ . 1 . 2 . 3]" 1 1451 1 62 VAL MG1 1 65 GLN QB 5.370 . 5.370 4.217 2.975 4.886 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 62 VAL MG1 1 66 GLN HE22 4.940 . 4.940 2.573 1.851 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 62 VAL MG2 1 63 GLU H 3.770 . 3.770 3.817 3.744 3.879 0.109 7 0 "[ . 1 . 2 . 3]" 1 1454 1 62 VAL MG2 1 64 GLN H 5.500 . 5.500 5.293 5.163 5.520 0.020 26 0 "[ . 1 . 2 . 3]" 1 1455 1 62 VAL MG2 1 65 GLN QB 5.370 . 5.370 3.577 2.993 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 62 VAL MG2 1 66 GLN HE22 4.940 . 4.940 3.412 1.946 4.982 0.042 24 0 "[ . 1 . 2 . 3]" 1 1457 1 63 GLU H 1 63 GLU HB2 3.120 . 3.120 2.442 2.301 2.596 . 0 0 "[ . 1 . 2 . 3]" 1 1458 1 63 GLU H 1 63 GLU QG 3.300 . 3.300 2.364 2.072 2.564 . 0 0 "[ . 1 . 2 . 3]" 1 1459 1 63 GLU H 1 64 GLN H 3.390 . 3.390 2.718 2.626 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 63 GLU HA 1 63 GLU HG2 4.050 . 4.050 2.715 2.279 3.210 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 63 GLU HA 1 63 GLU QG 3.520 . 3.520 2.607 2.221 3.050 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 63 GLU HA 1 63 GLU HG3 4.050 . 4.050 3.419 2.744 3.871 . 0 0 "[ . 1 . 2 . 3]" 1 1463 1 63 GLU HA 1 66 GLN H 4.020 . 4.020 3.427 3.179 3.689 . 0 0 "[ . 1 . 2 . 3]" 1 1464 1 63 GLU HA 1 66 GLN QB 4.060 . 4.060 2.840 2.483 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 1465 1 63 GLU HA 1 66 GLN HE22 5.230 . 5.230 2.818 2.041 5.215 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 63 GLU HA 1 66 GLN QG 4.460 . 4.460 3.366 2.465 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 1467 1 63 GLU HA 1 67 ASP H 4.770 . 4.770 4.306 3.936 4.772 0.002 22 0 "[ . 1 . 2 . 3]" 1 1468 1 63 GLU HB2 1 64 GLN H 3.590 . 3.590 2.611 2.453 2.797 . 0 0 "[ . 1 . 2 . 3]" 1 1469 1 63 GLU HB3 1 64 GLN H 3.890 . 3.890 3.552 3.373 3.694 . 0 0 "[ . 1 . 2 . 3]" 1 1470 1 63 GLU QG 1 64 GLN H 4.560 . 4.560 4.136 3.931 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 64 GLN H 1 64 GLN HB2 3.650 . 3.650 2.338 2.212 2.583 . 0 0 "[ . 1 . 2 . 3]" 1 1472 1 64 GLN H 1 64 GLN QB 3.140 . 3.140 2.308 2.190 2.532 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 64 GLN H 1 64 GLN HB3 3.650 . 3.650 3.579 3.515 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 1474 1 64 GLN H 1 64 GLN QE 4.510 . 4.510 4.093 3.751 4.543 0.033 26 0 "[ . 1 . 2 . 3]" 1 1475 1 64 GLN H 1 64 GLN HG2 3.930 . 3.930 2.629 2.389 3.959 0.029 12 0 "[ . 1 . 2 . 3]" 1 1476 1 64 GLN H 1 64 GLN QG 3.270 . 3.270 2.501 2.362 2.681 . 0 0 "[ . 1 . 2 . 3]" 1 1477 1 64 GLN H 1 64 GLN HG3 3.930 . 3.930 3.650 2.620 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 64 GLN H 1 65 GLN H 3.390 . 3.390 2.671 2.570 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 64 GLN H 1 67 ASP H 5.140 . 5.140 4.826 4.649 5.020 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 64 GLN HA 1 64 GLN HG2 4.100 . 4.100 2.883 2.687 3.487 . 0 0 "[ . 1 . 2 . 3]" 1 1481 1 64 GLN HA 1 64 GLN QG 3.450 . 3.450 2.754 2.217 3.182 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 64 GLN HA 1 64 GLN HG3 4.100 . 4.100 3.634 2.327 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 1483 1 64 GLN HA 1 67 ASP H 3.960 . 3.960 3.339 3.124 3.546 . 0 0 "[ . 1 . 2 . 3]" 1 1484 1 64 GLN HA 1 67 ASP HB2 3.760 . 3.760 3.533 2.902 3.782 0.022 5 0 "[ . 1 . 2 . 3]" 1 1485 1 64 GLN HA 1 67 ASP HB3 3.790 . 3.790 2.984 2.459 3.319 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 64 GLN QB 1 65 GLN H 3.740 . 3.740 2.689 2.520 2.819 . 0 0 "[ . 1 . 2 . 3]" 1 1487 1 64 GLN QB 1 67 ASP HB3 5.340 . 5.340 4.527 4.109 4.838 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 64 GLN QG 1 65 GLN H 4.960 . 4.960 4.284 4.182 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 65 GLN H 1 65 GLN QB 3.110 . 3.110 2.352 2.190 2.613 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 65 GLN H 1 65 GLN HG2 3.870 . 3.870 3.661 2.436 3.871 0.001 22 0 "[ . 1 . 2 . 3]" 1 1491 1 65 GLN H 1 65 GLN QG 3.390 . 3.390 2.539 2.398 2.715 . 0 0 "[ . 1 . 2 . 3]" 1 1492 1 65 GLN H 1 65 GLN HG3 3.870 . 3.870 2.670 2.434 3.886 0.016 27 0 "[ . 1 . 2 . 3]" 1 1493 1 65 GLN H 1 66 GLN H 3.230 . 3.230 2.671 2.451 2.856 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 65 GLN HA 1 65 GLN HE22 5.060 . 5.060 4.955 3.913 5.065 0.005 29 0 "[ . 1 . 2 . 3]" 1 1495 1 65 GLN HA 1 65 GLN QG 3.610 . 3.610 2.392 2.224 3.344 . 0 0 "[ . 1 . 2 . 3]" 1 1496 1 65 GLN HA 1 68 ARG H 3.690 . 3.690 3.337 3.117 3.702 0.012 24 0 "[ . 1 . 2 . 3]" 1 1497 1 65 GLN HA 1 68 ARG QD 5.020 . 5.020 3.253 2.054 5.023 0.003 28 0 "[ . 1 . 2 . 3]" 1 1498 1 65 GLN QB 1 65 GLN HE22 4.880 . 4.880 3.289 1.989 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 1499 1 65 GLN QB 1 66 GLN H 3.170 . 3.170 2.730 2.562 3.343 0.173 7 0 "[ . 1 . 2 . 3]" 1 1500 1 65 GLN QB 1 68 ARG H 5.350 . 5.350 4.831 4.668 5.084 . 0 0 "[ . 1 . 2 . 3]" 1 1501 1 65 GLN QB 1 69 ALA MB 5.500 . 5.500 4.261 3.873 5.088 . 0 0 "[ . 1 . 2 . 3]" 1 1502 1 65 GLN QG 1 66 GLN H 4.630 . 4.630 4.234 2.267 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 66 GLN H 1 66 GLN HB2 3.920 . 3.920 2.426 2.343 2.606 . 0 0 "[ . 1 . 2 . 3]" 1 1504 1 66 GLN H 1 66 GLN QB 3.260 . 3.260 2.391 2.314 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 66 GLN H 1 66 GLN HB3 3.920 . 3.920 3.609 3.581 3.646 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 66 GLN H 1 66 GLN HG2 3.640 . 3.640 3.524 2.161 3.656 0.016 20 0 "[ . 1 . 2 . 3]" 1 1507 1 66 GLN H 1 66 GLN HG3 3.640 . 3.640 2.514 2.312 3.662 0.022 13 0 "[ . 1 . 2 . 3]" 1 1508 1 66 GLN H 1 67 ASP H 3.230 . 3.230 2.703 2.481 2.821 . 0 0 "[ . 1 . 2 . 3]" 1 1509 1 66 GLN H 1 68 ARG H 4.420 . 4.420 4.119 3.983 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 66 GLN H 1 69 ALA H 5.310 . 5.310 4.777 4.552 5.006 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 66 GLN H 1 69 ALA MB 5.140 . 5.140 4.853 4.530 5.161 0.021 16 0 "[ . 1 . 2 . 3]" 1 1512 1 66 GLN HA 1 66 GLN HE22 5.410 . 5.410 4.932 3.426 5.162 . 0 0 "[ . 1 . 2 . 3]" 1 1513 1 66 GLN HA 1 66 GLN HG2 4.060 . 4.060 2.555 2.292 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 66 GLN HA 1 66 GLN QG 3.510 . 3.510 2.431 2.245 3.098 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 66 GLN HA 1 66 GLN HG3 4.060 . 4.060 3.063 2.880 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 66 GLN HA 1 69 ALA MB 3.060 . 3.060 2.843 2.358 3.075 0.015 28 0 "[ . 1 . 2 . 3]" 1 1517 1 66 GLN QB 1 66 GLN HE22 4.600 . 4.600 3.232 2.831 3.914 . 0 0 "[ . 1 . 2 . 3]" 1 1518 1 66 GLN QB 1 67 ASP H 3.140 . 3.140 2.582 2.437 2.703 . 0 0 "[ . 1 . 2 . 3]" 1 1519 1 66 GLN QB 1 67 ASP HB2 4.930 . 4.930 4.040 3.732 4.345 . 0 0 "[ . 1 . 2 . 3]" 1 1520 1 66 GLN QB 1 67 ASP HB3 5.340 . 5.340 4.842 4.650 5.060 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 66 GLN QB 1 68 ARG H 5.340 . 5.340 4.673 4.558 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 66 GLN QB 1 69 ALA MB 5.340 . 5.340 4.239 3.821 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 66 GLN HB2 1 67 ASP H 3.630 . 3.630 2.650 2.476 2.789 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 66 GLN HB3 1 67 ASP H 3.630 . 3.630 3.576 3.396 3.639 0.009 13 0 "[ . 1 . 2 . 3]" 1 1525 1 66 GLN QG 1 67 ASP H 4.450 . 4.450 4.191 3.876 4.302 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 66 GLN HG2 1 67 ASP H 5.140 . 5.140 5.021 4.079 5.143 0.003 19 0 "[ . 1 . 2 . 3]" 1 1527 1 66 GLN HG3 1 67 ASP H 5.140 . 5.140 4.516 4.339 5.025 . 0 0 "[ . 1 . 2 . 3]" 1 1528 1 67 ASP H 1 67 ASP HB2 3.120 . 3.120 2.461 2.253 2.638 . 0 0 "[ . 1 . 2 . 3]" 1 1529 1 67 ASP H 1 67 ASP HB3 3.020 . 3.020 2.638 2.481 2.921 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 67 ASP H 1 68 ARG H 3.250 . 3.250 2.581 2.459 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 67 ASP H 1 68 ARG QB 4.810 . 4.810 4.481 4.198 4.830 0.020 27 0 "[ . 1 . 2 . 3]" 1 1532 1 67 ASP HA 1 69 ALA H 4.520 . 4.520 4.355 4.166 4.524 0.004 1 0 "[ . 1 . 2 . 3]" 1 1533 1 67 ASP HA 1 70 ARG H 3.920 . 3.920 3.381 2.977 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1534 1 67 ASP HA 1 70 ARG QD 4.790 . 4.790 3.020 2.016 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 1535 1 67 ASP HA 1 70 ARG HG2 4.950 . 4.950 3.830 2.192 4.729 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 67 ASP HA 1 70 ARG QG 4.340 . 4.340 2.780 2.097 3.414 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 67 ASP HA 1 70 ARG HG3 4.950 . 4.950 3.203 2.108 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 67 ASP HA 1 71 ARG H 5.140 . 5.140 4.624 3.733 5.152 0.012 5 0 "[ . 1 . 2 . 3]" 1 1539 1 67 ASP HB2 1 68 ARG H 3.790 . 3.790 3.784 3.595 3.824 0.034 2 0 "[ . 1 . 2 . 3]" 1 1540 1 67 ASP HB3 1 68 ARG H 3.630 . 3.630 2.593 2.417 2.792 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 67 ASP HB3 1 70 ARG QB 5.500 . 5.500 5.464 5.022 5.921 0.421 21 0 "[ . 1 . 2 . 3]" 1 1542 1 68 ARG H 1 68 ARG QB 3.050 . 3.050 2.296 2.093 2.524 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 68 ARG H 1 68 ARG QD 4.470 . 4.470 3.981 3.306 4.477 0.007 11 0 "[ . 1 . 2 . 3]" 1 1544 1 68 ARG H 1 68 ARG HG2 4.060 . 4.060 3.516 2.238 4.066 0.006 29 0 "[ . 1 . 2 . 3]" 1 1545 1 68 ARG H 1 68 ARG QG 3.430 . 3.430 2.684 2.215 3.110 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 68 ARG H 1 68 ARG HG3 4.060 . 4.060 3.033 2.325 4.065 0.005 26 0 "[ . 1 . 2 . 3]" 1 1547 1 68 ARG H 1 69 ALA MB 4.450 . 4.450 4.348 4.203 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 68 ARG HA 1 68 ARG QD 4.230 . 4.230 3.702 2.076 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 1549 1 68 ARG HA 1 71 ARG H 3.890 . 3.890 3.421 3.072 3.892 0.002 1 0 "[ . 1 . 2 . 3]" 1 1550 1 68 ARG HA 1 71 ARG QD 4.440 . 4.440 3.121 2.188 4.465 0.025 22 0 "[ . 1 . 2 . 3]" 1 1551 1 68 ARG HA 1 71 ARG QG 4.650 . 4.650 2.615 2.019 3.835 . 0 0 "[ . 1 . 2 . 3]" 1 1552 1 68 ARG HA 1 72 GLU H 4.430 . 4.430 4.003 3.361 4.340 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 68 ARG QB 1 68 ARG QD 3.210 . 3.210 2.167 2.016 2.369 . 0 0 "[ . 1 . 2 . 3]" 1 1554 1 68 ARG QB 1 69 ALA H 3.250 . 3.250 2.728 2.307 3.426 0.176 8 0 "[ . 1 . 2 . 3]" 1 1555 1 68 ARG QD 1 69 ALA H 4.920 . 4.920 4.645 3.015 4.956 0.036 2 0 "[ . 1 . 2 . 3]" 1 1556 1 68 ARG QG 1 69 ALA H 5.340 . 5.340 3.951 1.960 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 69 ALA H 1 69 ALA MB 2.720 . 2.720 2.233 2.214 2.266 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 69 ALA H 1 70 ARG QG 5.340 . 5.340 4.446 4.030 5.336 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 69 ALA HA 1 72 GLU QB 4.460 . 4.460 2.435 2.090 3.205 . 0 0 "[ . 1 . 2 . 3]" 1 1560 1 69 ALA MB 1 70 ARG H 3.130 . 3.130 2.755 2.572 2.933 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 69 ALA MB 1 71 ARG H 5.010 . 5.010 4.700 4.483 4.847 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 69 ALA MB 1 72 GLU H 4.920 . 4.920 4.613 4.370 4.977 0.057 13 0 "[ . 1 . 2 . 3]" 1 1563 1 69 ALA MB 1 73 GLN HE21 4.770 . 4.770 4.314 3.334 4.790 0.020 29 0 "[ . 1 . 2 . 3]" 1 1564 1 69 ALA MB 1 73 GLN HE22 4.770 . 4.770 3.461 2.650 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 69 ALA MB 1 73 GLN QG 4.690 . 4.690 4.176 2.383 4.709 0.019 28 0 "[ . 1 . 2 . 3]" 1 1566 1 70 ARG H 1 70 ARG QB 2.790 . 2.790 2.390 1.970 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 70 ARG H 1 70 ARG QD 4.170 . 4.170 3.835 3.153 4.307 0.137 4 0 "[ . 1 . 2 . 3]" 1 1568 1 70 ARG H 1 70 ARG HG2 3.950 . 3.950 3.219 1.957 3.821 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 70 ARG H 1 70 ARG QG 3.280 . 3.280 2.323 1.910 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 1570 1 70 ARG H 1 70 ARG HG3 3.950 . 3.950 2.668 1.921 4.004 0.054 6 0 "[ . 1 . 2 . 3]" 1 1571 1 70 ARG H 1 71 ARG H 3.230 . 3.230 2.628 2.383 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 70 ARG QB 1 70 ARG HE 4.970 . 4.970 3.277 2.058 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 1573 1 70 ARG QB 1 71 ARG H 3.400 . 3.400 2.712 2.319 3.445 0.045 4 0 "[ . 1 . 2 . 3]" 1 1574 1 70 ARG QD 1 71 ARG H 5.470 . 5.470 4.529 3.471 5.459 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 70 ARG QG 1 71 ARG H 4.340 . 4.340 3.500 2.200 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 70 ARG QG 1 72 GLU H 5.340 . 5.340 5.148 4.343 5.445 0.105 20 0 "[ . 1 . 2 . 3]" 1 1577 1 71 ARG H 1 71 ARG QB 2.960 . 2.960 2.565 2.353 2.813 . 0 0 "[ . 1 . 2 . 3]" 1 1578 1 71 ARG H 1 71 ARG HD2 5.500 . 5.500 4.234 2.647 4.866 . 0 0 "[ . 1 . 2 . 3]" 1 1579 1 71 ARG H 1 71 ARG QD 4.620 . 4.620 3.629 2.593 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 71 ARG H 1 71 ARG HD3 5.500 . 5.500 4.151 2.916 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 71 ARG H 1 71 ARG HG2 3.740 . 3.740 2.556 1.837 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 71 ARG H 1 71 ARG QG 3.170 . 3.170 2.133 1.820 2.481 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 71 ARG H 1 71 ARG HG3 3.740 . 3.740 3.036 2.092 3.755 0.015 21 0 "[ . 1 . 2 . 3]" 1 1584 1 71 ARG H 1 72 GLU H 3.200 . 3.200 2.443 2.261 2.688 . 0 0 "[ . 1 . 2 . 3]" 1 1585 1 71 ARG QB 1 71 ARG HD2 3.600 . 3.600 2.621 2.141 3.335 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 71 ARG QB 1 71 ARG HD3 3.600 . 3.600 2.552 2.056 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 1587 1 71 ARG QB 1 72 GLU H 3.510 . 3.510 3.180 2.582 3.604 0.094 20 0 "[ . 1 . 2 . 3]" 1 1588 1 71 ARG QD 1 72 GLU H 4.550 . 4.550 4.498 4.263 4.602 0.052 24 0 "[ . 1 . 2 . 3]" 1 1589 1 71 ARG QG 1 72 GLU H 4.230 . 4.230 3.080 2.195 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 71 ARG HG2 1 72 GLU H 5.090 . 5.090 3.616 2.261 5.094 0.004 25 0 "[ . 1 . 2 . 3]" 1 1591 1 71 ARG HG3 1 72 GLU H 5.090 . 5.090 3.512 2.452 4.996 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 72 GLU H 1 72 GLU QB 2.890 . 2.890 2.185 2.003 2.494 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 72 GLU H 1 72 GLU HG2 4.700 . 4.700 4.100 2.600 4.685 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 72 GLU H 1 72 GLU QG 4.000 . 4.000 3.485 2.506 4.036 0.036 13 0 "[ . 1 . 2 . 3]" 1 1595 1 72 GLU H 1 72 GLU HG3 4.700 . 4.700 3.936 2.562 4.490 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 72 GLU H 1 73 GLN H 3.050 . 3.050 2.711 2.496 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 72 GLU H 1 75 ARG H 5.000 . 5.000 4.800 4.590 5.022 0.022 7 0 "[ . 1 . 2 . 3]" 1 1598 1 72 GLU H 1 75 ARG QD 5.500 . 5.500 4.810 3.789 5.562 0.062 21 0 "[ . 1 . 2 . 3]" 1 1599 1 72 GLU H 1 75 ARG QG 5.340 . 5.340 4.654 3.687 5.370 0.030 30 0 "[ . 1 . 2 . 3]" 1 1600 1 72 GLU HA 1 75 ARG H 5.140 . 5.140 2.998 2.695 3.372 . 0 0 "[ . 1 . 2 . 3]" 1 1601 1 72 GLU HA 1 75 ARG QG 4.220 . 4.220 2.808 2.102 3.388 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 72 GLU HA 1 76 ILE H 4.470 . 4.470 3.982 3.643 4.472 0.002 6 0 "[ . 1 . 2 . 3]" 1 1603 1 72 GLU QB 1 73 GLN H 3.170 . 3.170 2.840 2.668 3.078 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 72 GLU QG 1 73 GLN H 4.640 . 4.640 4.373 3.851 4.641 0.001 22 0 "[ . 1 . 2 . 3]" 1 1605 1 72 GLU HG2 1 73 GLN H 5.320 . 5.320 4.987 4.018 5.352 0.032 7 0 "[ . 1 . 2 . 3]" 1 1606 1 72 GLU HG3 1 73 GLN H 5.320 . 5.320 4.914 4.228 5.350 0.030 29 0 "[ . 1 . 2 . 3]" 1 1607 1 73 GLN H 1 73 GLN QB 2.810 . 2.810 2.441 2.132 2.591 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 73 GLN H 1 73 GLN QG 3.450 . 3.450 2.239 1.942 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 73 GLN H 1 74 GLU H 3.540 . 3.540 2.787 2.683 2.932 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 73 GLN H 1 74 GLU QG 5.340 . 5.340 4.347 3.942 4.865 . 0 0 "[ . 1 . 2 . 3]" 1 1611 1 73 GLN HA 1 73 GLN QG 3.960 . 3.960 2.684 2.248 3.136 . 0 0 "[ . 1 . 2 . 3]" 1 1612 1 73 GLN QB 1 74 GLU H 3.160 . 3.160 2.645 2.520 2.785 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 73 GLN QB 1 75 ARG H 5.500 . 5.500 4.634 4.506 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 73 GLN QG 1 74 GLU H 4.570 . 4.570 4.155 3.866 4.486 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 74 GLU H 1 74 GLU QB 2.850 . 2.850 2.495 2.287 2.850 0.000 23 0 "[ . 1 . 2 . 3]" 1 1616 1 74 GLU H 1 74 GLU HG2 4.060 . 4.060 2.688 1.843 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 1617 1 74 GLU H 1 74 GLU QG 3.320 . 3.320 2.236 1.824 2.673 . 0 0 "[ . 1 . 2 . 3]" 1 1618 1 74 GLU H 1 74 GLU HG3 4.060 . 4.060 3.036 2.055 3.902 . 0 0 "[ . 1 . 2 . 3]" 1 1619 1 74 GLU H 1 75 ARG H 3.140 . 3.140 2.493 2.401 2.622 . 0 0 "[ . 1 . 2 . 3]" 1 1620 1 74 GLU HA 1 77 ARG H 3.830 . 3.830 3.651 3.231 3.866 0.036 17 0 "[ . 1 . 2 . 3]" 1 1621 1 74 GLU HA 1 77 ARG QD 5.500 . 5.500 3.680 2.107 5.381 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 74 GLU QB 1 75 ARG H 3.650 . 3.650 2.867 2.520 3.656 0.006 23 0 "[ . 1 . 2 . 3]" 1 1623 1 74 GLU QB 1 77 ARG H 5.170 . 5.170 4.789 4.574 5.078 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 74 GLU QG 1 75 ARG H 4.250 . 4.250 3.830 2.398 4.278 0.028 12 0 "[ . 1 . 2 . 3]" 1 1625 1 75 ARG H 1 75 ARG HA 2.900 . 2.900 2.879 2.843 2.909 0.009 7 0 "[ . 1 . 2 . 3]" 1 1626 1 75 ARG H 1 75 ARG QB 2.880 . 2.880 2.418 2.160 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 75 ARG H 1 75 ARG QD 5.160 . 5.160 3.866 2.124 4.368 . 0 0 "[ . 1 . 2 . 3]" 1 1628 1 75 ARG H 1 75 ARG HG2 3.940 . 3.940 3.391 2.396 3.928 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 75 ARG H 1 75 ARG QG 3.360 . 3.360 2.442 2.168 3.433 0.073 30 0 "[ . 1 . 2 . 3]" 1 1630 1 75 ARG H 1 75 ARG HG3 3.940 . 3.940 2.581 2.199 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 1631 1 75 ARG H 1 76 ILE QG 4.410 . 4.410 4.078 3.894 4.416 0.006 6 0 "[ . 1 . 2 . 3]" 1 1632 1 75 ARG H 1 76 ILE MG 4.730 . 4.730 4.221 3.963 4.399 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 75 ARG HA 1 75 ARG QD 4.160 . 4.160 3.923 2.386 4.203 0.043 15 0 "[ . 1 . 2 . 3]" 1 1634 1 75 ARG QB 1 76 ILE H 2.850 . 2.850 2.636 2.306 2.891 0.041 6 0 "[ . 1 . 2 . 3]" 1 1635 1 75 ARG QG 1 76 ILE H 4.670 . 4.670 4.202 3.871 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 1636 1 76 ILE H 1 76 ILE HB 3.750 . 3.750 3.684 3.644 3.710 . 0 0 "[ . 1 . 2 . 3]" 1 1637 1 76 ILE H 1 76 ILE MD 3.750 . 3.750 3.741 3.530 3.779 0.029 21 0 "[ . 1 . 2 . 3]" 1 1638 1 76 ILE H 1 76 ILE HG12 3.660 . 3.660 2.161 2.070 2.426 . 0 0 "[ . 1 . 2 . 3]" 1 1639 1 76 ILE H 1 76 ILE QG 3.180 . 3.180 2.132 2.050 2.393 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 76 ILE H 1 76 ILE HG13 3.660 . 3.660 3.266 3.095 3.656 . 0 0 "[ . 1 . 2 . 3]" 1 1641 1 76 ILE H 1 76 ILE MG 3.520 . 3.520 2.234 2.060 2.305 . 0 0 "[ . 1 . 2 . 3]" 1 1642 1 76 ILE H 1 77 ARG H 3.180 . 3.180 2.628 2.475 2.802 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 76 ILE HA 1 76 ILE HG12 4.010 . 4.010 3.771 3.665 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 1644 1 76 ILE HA 1 76 ILE HG13 4.010 . 4.010 3.704 3.582 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 1645 1 76 ILE HA 1 76 ILE MG 3.180 . 3.180 2.321 2.182 2.414 . 0 0 "[ . 1 . 2 . 3]" 1 1646 1 76 ILE HB 1 77 ARG H 4.590 . 4.590 4.184 4.101 4.324 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 76 ILE QG 1 76 ILE MG 3.110 . 3.110 2.340 2.273 2.447 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 76 ILE QG 1 77 ARG H 3.510 . 3.510 2.668 2.545 2.974 . 0 0 "[ . 1 . 2 . 3]" 1 1649 1 76 ILE HG12 1 76 ILE MG 3.580 . 3.580 2.399 2.322 2.529 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 76 ILE HG13 1 76 ILE MG 3.580 . 3.580 3.254 3.226 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 1651 1 76 ILE MG 1 77 ARG H 4.100 . 4.100 4.122 4.044 4.179 0.079 8 0 "[ . 1 . 2 . 3]" 1 1652 1 77 ARG H 1 77 ARG QB 3.120 . 3.120 2.251 1.990 2.574 . 0 0 "[ . 1 . 2 . 3]" 1 1653 1 77 ARG H 1 77 ARG QD 4.850 . 4.850 3.968 2.511 4.811 . 0 0 "[ . 1 . 2 . 3]" 1 1654 1 77 ARG H 1 77 ARG QG 3.960 . 3.960 3.180 2.053 4.003 0.043 30 0 "[ . 1 . 2 . 3]" 1 1655 1 77 ARG QB 1 78 LEU H 3.510 . 3.510 3.057 2.544 3.521 0.011 16 0 "[ . 1 . 2 . 3]" 1 1656 1 77 ARG HB2 1 78 LEU H 4.120 . 4.120 3.550 2.950 4.135 0.015 16 0 "[ . 1 . 2 . 3]" 1 1657 1 77 ARG HB3 1 78 LEU H 4.120 . 4.120 3.578 2.588 4.135 0.015 27 0 "[ . 1 . 2 . 3]" 1 1658 1 78 LEU H 1 78 LEU HB2 3.500 . 3.500 2.788 2.080 3.155 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 78 LEU H 1 78 LEU QB 2.810 . 2.810 2.577 2.062 2.919 0.109 4 0 "[ . 1 . 2 . 3]" 1 1660 1 78 LEU H 1 78 LEU HB3 3.500 . 3.500 3.185 2.389 3.561 0.061 24 0 "[ . 1 . 2 . 3]" 1 1661 1 78 LEU H 1 78 LEU QD 4.270 . 4.270 3.805 3.097 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 1662 1 78 LEU H 1 79 PHE QD 5.500 . 5.500 4.875 3.072 5.526 0.026 28 0 "[ . 1 . 2 . 3]" 1 1663 1 78 LEU HA 1 78 LEU MD1 4.530 . 4.530 2.792 2.077 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 1664 1 78 LEU HA 1 78 LEU QD 3.210 . 3.210 2.318 1.980 3.091 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 78 LEU HA 1 78 LEU MD2 4.530 . 4.530 3.324 2.082 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 78 LEU QB 1 79 PHE H 3.630 . 3.630 2.702 1.894 3.662 0.032 14 0 "[ . 1 . 2 . 3]" 1 1667 1 78 LEU QB 1 79 PHE QD 4.400 . 4.400 3.302 2.200 4.500 0.100 12 0 "[ . 1 . 2 . 3]" 1 1668 1 78 LEU QD 1 79 PHE H 3.930 . 3.930 2.958 2.025 4.050 0.120 15 0 "[ . 1 . 2 . 3]" 1 1669 1 78 LEU QD 1 79 PHE HA 5.020 . 5.020 3.999 2.773 5.102 0.082 22 0 "[ . 1 . 2 . 3]" 1 1670 1 78 LEU QD 1 79 PHE QD 4.170 . 4.170 3.268 2.080 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 78 LEU MD1 1 79 PHE H 4.530 . 4.530 3.601 2.198 4.555 0.025 13 0 "[ . 1 . 2 . 3]" 1 1672 1 78 LEU MD1 1 79 PHE QD 4.840 . 4.840 4.106 2.464 4.936 0.096 4 0 "[ . 1 . 2 . 3]" 1 1673 1 78 LEU MD2 1 79 PHE H 4.530 . 4.530 3.530 2.029 4.545 0.015 15 0 "[ . 1 . 2 . 3]" 1 1674 1 78 LEU MD2 1 79 PHE QD 4.840 . 4.840 3.658 2.112 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 1675 1 78 LEU HG 1 79 PHE H 4.970 . 4.970 3.465 1.638 4.984 0.014 7 0 "[ . 1 . 2 . 3]" 1 1676 1 79 PHE H 1 79 PHE HB2 3.890 . 3.890 3.048 2.398 3.928 0.038 1 0 "[ . 1 . 2 . 3]" 1 1677 1 79 PHE H 1 79 PHE QB 3.190 . 3.190 2.856 2.363 3.359 0.169 29 0 "[ . 1 . 2 . 3]" 1 1678 1 79 PHE H 1 79 PHE HB3 3.890 . 3.890 3.731 3.210 3.941 0.051 29 0 "[ . 1 . 2 . 3]" 1 1679 1 79 PHE H 1 79 PHE QD 4.050 . 4.050 2.959 1.710 3.770 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 79 PHE HA 1 79 PHE QD 4.230 . 4.230 2.911 2.329 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 1681 1 79 PHE HA 1 80 SER H 3.370 . 3.370 2.552 2.084 3.414 0.044 19 0 "[ . 1 . 2 . 3]" 1 1682 1 79 PHE QB 1 80 SER H 3.790 . 3.790 2.761 1.836 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 79 PHE QB 1 81 ALA H 5.340 . 5.340 4.766 2.997 5.464 0.124 21 0 "[ . 1 . 2 . 3]" 1 1684 1 79 PHE HB2 1 80 SER H 4.360 . 4.360 3.467 2.285 4.417 0.057 20 0 "[ . 1 . 2 . 3]" 1 1685 1 79 PHE HB3 1 80 SER H 4.360 . 4.360 3.144 1.934 4.411 0.051 24 0 "[ . 1 . 2 . 3]" 1 1686 1 79 PHE QD 1 80 SER H 4.830 . 4.830 4.103 3.384 4.847 0.017 16 0 "[ . 1 . 2 . 3]" 1 1687 1 80 SER H 1 80 SER QB 3.690 . 3.690 2.922 2.314 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 80 SER H 1 81 ALA H 4.250 . 4.250 3.561 1.991 4.283 0.033 29 0 "[ . 1 . 2 . 3]" 1 1689 1 80 SER H 1 81 ALA MB 5.090 . 5.090 4.489 3.186 5.251 0.161 12 0 "[ . 1 . 2 . 3]" 1 1690 1 80 SER HA 1 81 ALA H 2.910 . 2.910 2.457 2.039 2.948 0.038 5 0 "[ . 1 . 2 . 3]" 1 1691 1 80 SER HA 1 82 ASP H 4.840 . 4.840 3.741 3.035 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 80 SER QB 1 81 ALA H 4.070 . 4.070 3.581 1.963 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 80 SER HB2 1 81 ALA H 4.810 . 4.810 4.098 2.610 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 1694 1 80 SER HB2 1 82 ASP H 5.500 . 5.500 4.485 2.800 5.504 0.004 10 0 "[ . 1 . 2 . 3]" 1 1695 1 80 SER HB3 1 81 ALA H 4.810 . 4.810 4.065 1.997 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 1696 1 80 SER HB3 1 82 ASP H 5.500 . 5.500 4.171 2.574 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 1697 1 81 ALA H 1 81 ALA MB 2.900 . 2.900 2.532 2.195 2.960 0.060 30 0 "[ . 1 . 2 . 3]" 1 1698 1 81 ALA H 1 82 ASP H 3.450 . 3.450 2.632 1.810 3.464 0.014 4 0 "[ . 1 . 2 . 3]" 1 1699 1 81 ALA H 1 82 ASP QB 5.340 . 5.340 4.341 3.227 5.354 0.014 28 0 "[ . 1 . 2 . 3]" 1 1700 1 81 ALA HA 1 82 ASP H 3.000 . 3.000 2.839 2.561 3.037 0.037 21 0 "[ . 1 . 2 . 3]" 1 1701 1 81 ALA MB 1 82 ASP H 3.770 . 3.770 3.656 3.467 3.751 . 0 0 "[ . 1 . 2 . 3]" 1 1702 1 82 ASP H 1 82 ASP HB2 3.760 . 3.760 2.750 2.107 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 82 ASP H 1 82 ASP QB 2.950 . 2.950 2.484 2.085 2.953 0.003 29 0 "[ . 1 . 2 . 3]" 1 1704 1 82 ASP H 1 82 ASP HB3 3.760 . 3.760 3.261 2.579 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 1705 1 82 ASP H 1 83 PRO QD 4.530 . 4.530 4.450 3.756 4.574 0.044 13 0 "[ . 1 . 2 . 3]" 1 1706 1 82 ASP HA 1 83 PRO HD2 3.290 . 3.290 2.558 2.198 2.895 . 0 0 "[ . 1 . 2 . 3]" 1 1707 1 82 ASP HA 1 83 PRO QD 2.880 . 2.880 2.232 2.085 2.513 . 0 0 "[ . 1 . 2 . 3]" 1 1708 1 82 ASP HA 1 83 PRO HD3 3.290 . 3.290 2.479 2.232 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 82 ASP HA 1 83 PRO QG 4.560 . 4.560 4.150 3.971 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 1710 1 82 ASP QB 1 83 PRO QD 4.540 . 4.540 2.679 2.005 3.982 . 0 0 "[ . 1 . 2 . 3]" 1 1711 1 83 PRO HA 1 84 PHE H 3.000 . 3.000 2.378 2.244 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 1712 1 83 PRO HA 1 85 ASP H 4.550 . 4.550 3.846 3.203 4.280 . 0 0 "[ . 1 . 2 . 3]" 1 1713 1 83 PRO QB 1 84 PHE H 3.560 . 3.560 2.627 1.914 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 83 PRO QB 1 85 ASP H 4.840 . 4.840 2.507 2.043 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 1715 1 83 PRO HB2 1 84 PHE H 4.290 . 4.290 2.700 1.926 2.977 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 83 PRO HB3 1 84 PHE H 4.290 . 4.290 3.627 3.306 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 1717 1 83 PRO QG 1 84 PHE H 4.140 . 4.140 4.086 3.411 4.220 0.080 5 0 "[ . 1 . 2 . 3]" 1 1718 1 84 PHE H 1 84 PHE QB 3.120 . 3.120 2.749 2.421 3.125 0.005 6 0 "[ . 1 . 2 . 3]" 1 1719 1 84 PHE H 1 84 PHE QD 3.880 . 3.880 2.907 2.328 3.902 0.022 24 0 "[ . 1 . 2 . 3]" 1 1720 1 84 PHE H 1 85 ASP H 3.010 . 3.010 2.240 1.695 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 1721 1 84 PHE H 1 85 ASP QB 4.720 . 4.720 4.261 3.429 4.835 0.115 21 0 "[ . 1 . 2 . 3]" 1 1722 1 84 PHE HA 1 84 PHE QD 4.350 . 4.350 3.165 2.313 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 1723 1 84 PHE HA 1 85 ASP H 3.060 . 3.060 3.031 2.734 3.146 0.086 11 0 "[ . 1 . 2 . 3]" 1 1724 1 84 PHE QB 1 85 ASP H 4.090 . 4.090 3.758 3.406 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 84 PHE HB2 1 85 ASP H 4.670 . 4.670 4.125 3.646 4.446 . 0 0 "[ . 1 . 2 . 3]" 1 1726 1 84 PHE HB3 1 85 ASP H 4.670 . 4.670 4.369 4.033 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 1727 1 84 PHE QD 1 85 ASP H 5.080 . 5.080 4.408 3.541 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 1728 1 85 ASP H 1 85 ASP HB2 3.790 . 3.790 3.029 2.319 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 1729 1 85 ASP H 1 85 ASP QB 3.190 . 3.190 2.716 2.292 3.089 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 85 ASP H 1 85 ASP HB3 3.790 . 3.790 3.409 2.689 3.798 0.008 15 0 "[ . 1 . 2 . 3]" 1 1731 1 85 ASP H 1 86 LEU H 3.950 . 3.950 3.441 2.942 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 1732 1 85 ASP H 1 86 LEU QB 5.340 . 5.340 5.154 4.580 5.423 0.083 17 0 "[ . 1 . 2 . 3]" 1 1733 1 85 ASP H 1 86 LEU QD 5.160 . 5.160 4.479 3.739 5.174 0.014 4 0 "[ . 1 . 2 . 3]" 1 1734 1 85 ASP H 1 86 LEU HG 5.500 . 5.500 4.875 3.870 5.517 0.017 27 0 "[ . 1 . 2 . 3]" 1 1735 1 85 ASP H 1 88 ALA MB 5.080 . 5.080 5.070 4.684 5.276 0.196 20 0 "[ . 1 . 2 . 3]" 1 1736 1 85 ASP HA 1 86 LEU H 2.820 . 2.820 2.445 2.000 2.878 0.058 24 0 "[ . 1 . 2 . 3]" 1 1737 1 85 ASP HA 1 87 GLU H 4.210 . 4.210 3.449 2.992 4.150 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 85 ASP HA 1 88 ALA H 4.700 . 4.700 3.704 2.713 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 85 ASP HA 1 88 ALA MB 5.090 . 5.090 4.135 3.116 5.125 0.035 17 0 "[ . 1 . 2 . 3]" 1 1740 1 85 ASP QB 1 86 LEU H 4.090 . 4.090 3.905 3.740 4.069 . 0 0 "[ . 1 . 2 . 3]" 1 1741 1 85 ASP QB 1 87 GLU H 4.730 . 4.730 4.300 3.835 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 1742 1 85 ASP QB 1 88 ALA H 4.110 . 4.110 3.253 2.552 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 85 ASP QB 1 88 ALA HA 4.690 . 4.690 3.736 2.235 4.781 0.091 24 0 "[ . 1 . 2 . 3]" 1 1744 1 85 ASP QB 1 88 ALA MB 4.120 . 4.120 2.390 2.023 3.295 . 0 0 "[ . 1 . 2 . 3]" 1 1745 1 85 ASP HB2 1 86 LEU H 4.720 . 4.720 4.389 4.135 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1746 1 85 ASP HB2 1 87 GLU H 5.500 . 5.500 5.091 4.291 5.507 0.007 28 0 "[ . 1 . 2 . 3]" 1 1747 1 85 ASP HB2 1 88 ALA H 4.840 . 4.840 4.221 2.970 4.841 0.001 15 0 "[ . 1 . 2 . 3]" 1 1748 1 85 ASP HB3 1 86 LEU H 4.720 . 4.720 4.397 3.964 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 1749 1 85 ASP HB3 1 87 GLU H 5.500 . 5.500 4.743 4.086 5.517 0.017 11 0 "[ . 1 . 2 . 3]" 1 1750 1 85 ASP HB3 1 88 ALA H 4.840 . 4.840 3.634 2.572 4.789 . 0 0 "[ . 1 . 2 . 3]" 1 1751 1 86 LEU H 1 86 LEU HB2 3.710 . 3.710 3.057 2.308 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 1752 1 86 LEU H 1 86 LEU QB 2.890 . 2.890 2.531 2.281 2.935 0.045 4 0 "[ . 1 . 2 . 3]" 1 1753 1 86 LEU H 1 86 LEU HB3 3.710 . 3.710 3.121 2.589 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 1754 1 86 LEU H 1 86 LEU MD1 4.210 . 4.210 3.578 2.160 3.865 . 0 0 "[ . 1 . 2 . 3]" 1 1755 1 86 LEU H 1 86 LEU QD 3.510 . 3.510 2.826 2.042 3.262 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 86 LEU H 1 86 LEU MD2 4.210 . 4.210 3.058 2.049 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 86 LEU H 1 86 LEU HG 3.230 . 3.230 2.166 1.835 2.593 . 0 0 "[ . 1 . 2 . 3]" 1 1758 1 86 LEU H 1 87 GLU H 3.190 . 3.190 2.552 2.374 2.906 . 0 0 "[ . 1 . 2 . 3]" 1 1759 1 86 LEU H 1 87 GLU QB 5.180 . 5.180 4.662 4.317 5.131 . 0 0 "[ . 1 . 2 . 3]" 1 1760 1 86 LEU H 1 87 GLU QG 5.250 . 5.250 4.127 3.532 4.660 . 0 0 "[ . 1 . 2 . 3]" 1 1761 1 86 LEU H 1 88 ALA H 4.650 . 4.650 4.030 3.789 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 86 LEU H 1 88 ALA MB 5.190 . 5.190 4.922 4.693 5.178 . 0 0 "[ . 1 . 2 . 3]" 1 1763 1 86 LEU HA 1 86 LEU QD 3.630 . 3.630 2.867 2.072 3.486 . 0 0 "[ . 1 . 2 . 3]" 1 1764 1 86 LEU HA 1 86 LEU HG 4.270 . 4.270 3.426 3.026 3.716 . 0 0 "[ . 1 . 2 . 3]" 1 1765 1 86 LEU QB 1 87 GLU H 3.550 . 3.550 3.161 2.545 3.646 0.096 20 0 "[ . 1 . 2 . 3]" 1 1766 1 86 LEU QB 1 87 GLU QG 5.180 . 5.180 3.988 3.056 5.203 0.023 7 0 "[ . 1 . 2 . 3]" 1 1767 1 86 LEU HB2 1 87 GLU H 4.320 . 4.320 3.358 2.595 4.022 . 0 0 "[ . 1 . 2 . 3]" 1 1768 1 86 LEU HB3 1 87 GLU H 4.320 . 4.320 3.999 3.669 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 1769 1 86 LEU MD1 1 87 GLU H 4.750 . 4.750 3.722 2.022 4.759 0.009 8 0 "[ . 1 . 2 . 3]" 1 1770 1 86 LEU MD2 1 87 GLU H 4.750 . 4.750 4.372 3.621 4.789 0.039 13 0 "[ . 1 . 2 . 3]" 1 1771 1 86 LEU HG 1 87 GLU H 4.730 . 4.730 3.340 2.081 4.535 . 0 0 "[ . 1 . 2 . 3]" 1 1772 1 87 GLU H 1 87 GLU QB 2.920 . 2.920 2.465 2.214 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 1773 1 87 GLU H 1 87 GLU HG2 3.870 . 3.870 2.818 1.916 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 1774 1 87 GLU H 1 87 GLU HG3 3.870 . 3.870 3.031 2.009 3.775 . 0 0 "[ . 1 . 2 . 3]" 1 1775 1 87 GLU H 1 88 ALA H 3.110 . 3.110 2.383 2.243 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 1776 1 87 GLU H 1 88 ALA MB 4.600 . 4.600 4.158 3.892 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 1777 1 87 GLU QB 1 88 ALA H 3.390 . 3.390 2.925 2.151 3.521 0.131 15 0 "[ . 1 . 2 . 3]" 1 1778 1 87 GLU HB2 1 88 ALA H 3.940 . 3.940 3.083 2.179 3.945 0.005 15 0 "[ . 1 . 2 . 3]" 1 1779 1 87 GLU HB3 1 88 ALA H 3.940 . 3.940 3.798 3.070 3.963 0.023 6 0 "[ . 1 . 2 . 3]" 1 1780 1 87 GLU HG2 1 88 ALA H 5.140 . 5.140 4.159 2.557 5.153 0.013 29 0 "[ . 1 . 2 . 3]" 1 1781 1 87 GLU HG3 1 88 ALA H 5.140 . 5.140 3.984 2.000 5.154 0.014 8 0 "[ . 1 . 2 . 3]" 1 1782 1 88 ALA H 1 88 ALA HA 2.890 . 2.890 2.561 2.242 2.912 0.022 2 0 "[ . 1 . 2 . 3]" 1 1783 1 88 ALA H 1 88 ALA MB 2.950 . 2.950 2.531 2.222 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 1784 1 88 ALA H 1 89 GLN H 3.300 . 3.300 2.981 2.393 3.327 0.027 6 0 "[ . 1 . 2 . 3]" 1 1785 1 88 ALA H 1 89 GLN QG 5.450 . 5.450 4.236 3.338 5.489 0.039 17 0 "[ . 1 . 2 . 3]" 1 1786 1 88 ALA HA 1 89 GLN H 3.260 . 3.260 2.954 2.553 3.314 0.054 7 0 "[ . 1 . 2 . 3]" 1 1787 1 88 ALA MB 1 89 GLN H 3.710 . 3.710 3.603 3.060 3.746 0.036 22 0 "[ . 1 . 2 . 3]" 1 1788 1 89 GLN H 1 89 GLN HB2 3.720 . 3.720 2.926 2.287 3.789 0.069 20 0 "[ . 1 . 2 . 3]" 1 1789 1 89 GLN H 1 89 GLN QB 2.950 . 2.950 2.517 2.261 2.958 0.008 20 0 "[ . 1 . 2 . 3]" 1 1790 1 89 GLN H 1 89 GLN HB3 3.720 . 3.720 3.306 2.470 3.769 0.049 17 0 "[ . 1 . 2 . 3]" 1 1791 1 89 GLN H 1 89 GLN QG 3.450 . 3.450 2.458 1.907 3.472 0.022 17 0 "[ . 1 . 2 . 3]" 1 1792 1 89 GLN HA 1 90 ALA H 2.960 . 2.960 2.299 1.975 2.998 0.038 30 0 "[ . 1 . 2 . 3]" 1 1793 1 89 GLN QB 1 90 ALA H 3.550 . 3.550 2.709 1.852 3.450 . 0 0 "[ . 1 . 2 . 3]" 1 1794 1 89 GLN HB2 1 90 ALA H 4.150 . 4.150 3.426 2.141 4.226 0.076 7 0 "[ . 1 . 2 . 3]" 1 1795 1 89 GLN HB3 1 90 ALA H 4.150 . 4.150 3.249 1.861 4.168 0.018 30 0 "[ . 1 . 2 . 3]" 1 1796 1 89 GLN QG 1 90 ALA H 4.650 . 4.650 4.024 3.164 4.665 0.015 7 0 "[ . 1 . 2 . 3]" 1 1797 1 90 ALA H 1 90 ALA MB 2.840 . 2.840 2.576 2.223 2.901 0.061 2 0 "[ . 1 . 2 . 3]" 1 1798 1 90 ALA HA 1 91 LYS H 2.960 . 2.960 2.421 2.054 3.006 0.046 7 0 "[ . 1 . 2 . 3]" 1 1799 1 90 ALA MB 1 91 LYS H 3.210 . 3.210 2.620 1.815 3.400 0.190 17 0 "[ . 1 . 2 . 3]" 1 1800 1 91 LYS H 1 91 LYS HB2 3.770 . 3.770 3.096 2.366 3.821 0.051 24 0 "[ . 1 . 2 . 3]" 1 1801 1 91 LYS H 1 91 LYS QB 3.040 . 3.040 2.704 2.335 3.073 0.033 4 0 "[ . 1 . 2 . 3]" 1 1802 1 91 LYS H 1 91 LYS HB3 3.770 . 3.770 3.340 2.507 3.811 0.041 20 0 "[ . 1 . 2 . 3]" 1 1803 1 91 LYS H 1 91 LYS QD 5.040 . 5.040 4.359 3.376 5.087 0.047 2 0 "[ . 1 . 2 . 3]" 1 1804 1 91 LYS H 1 91 LYS HG2 5.440 . 5.440 3.717 2.069 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 1805 1 91 LYS H 1 91 LYS QG 4.690 . 4.690 3.159 2.009 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 1806 1 91 LYS H 1 91 LYS HG3 5.440 . 5.440 3.702 2.380 5.156 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 91 LYS HA 1 91 LYS QD 4.860 . 4.860 3.922 2.092 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 1808 1 91 LYS HA 1 92 ILE H 2.790 . 2.790 2.405 2.181 2.791 0.001 27 0 "[ . 1 . 2 . 3]" 1 1809 1 91 LYS HA 1 92 ILE HB 5.500 . 5.500 4.761 4.502 5.519 0.019 15 0 "[ . 1 . 2 . 3]" 1 1810 1 91 LYS HA 1 92 ILE HG12 5.500 . 5.500 5.003 3.340 5.504 0.004 14 0 "[ . 1 . 2 . 3]" 1 1811 1 91 LYS HA 1 92 ILE QG 4.730 . 4.730 3.533 3.120 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 1812 1 91 LYS HA 1 92 ILE HG13 5.500 . 5.500 3.631 3.159 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 1813 1 91 LYS QB 1 92 ILE H 3.160 . 3.160 2.675 1.932 3.272 0.112 5 0 "[ . 1 . 2 . 3]" 1 1814 1 91 LYS QG 1 92 ILE H 4.200 . 4.200 3.186 1.758 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 1815 1 91 LYS HG2 1 92 ILE H 4.860 . 4.860 3.714 1.780 4.869 0.009 4 0 "[ . 1 . 2 . 3]" 1 1816 1 91 LYS HG3 1 92 ILE H 4.860 . 4.860 3.888 2.725 4.867 0.007 20 0 "[ . 1 . 2 . 3]" 1 1817 1 92 ILE H 1 92 ILE HB 3.580 . 3.580 2.817 2.546 3.623 0.043 15 0 "[ . 1 . 2 . 3]" 1 1818 1 92 ILE H 1 92 ILE MD 4.500 . 4.500 4.041 2.559 4.347 . 0 0 "[ . 1 . 2 . 3]" 1 1819 1 92 ILE H 1 92 ILE HG12 4.310 . 4.310 4.011 2.616 4.310 0.000 23 0 "[ . 1 . 2 . 3]" 1 1820 1 92 ILE H 1 92 ILE QG 3.440 . 3.440 2.825 2.112 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 92 ILE H 1 92 ILE HG13 4.310 . 4.310 2.891 2.229 3.265 . 0 0 "[ . 1 . 2 . 3]" 1 1822 1 92 ILE H 1 92 ILE MG 4.120 . 4.120 3.887 3.397 4.034 . 0 0 "[ . 1 . 2 . 3]" 1 1823 1 92 ILE H 1 93 GLU H 4.120 . 4.120 4.039 3.257 4.185 0.065 15 0 "[ . 1 . 2 . 3]" 1 1824 1 92 ILE HA 1 93 GLU H 2.780 . 2.780 2.185 2.067 2.415 . 0 0 "[ . 1 . 2 . 3]" 1 1825 1 92 ILE HB 1 92 ILE MD 3.520 . 3.520 2.401 2.317 2.462 . 0 0 "[ . 1 . 2 . 3]" 1 1826 1 92 ILE HB 1 93 GLU H 4.420 . 4.420 4.253 2.492 4.438 0.018 19 0 "[ . 1 . 2 . 3]" 1 1827 1 92 ILE HB 1 93 GLU HA 5.500 . 5.500 4.899 4.606 5.505 0.005 26 0 "[ . 1 . 2 . 3]" 1 1828 1 92 ILE QG 1 93 GLU H 4.770 . 4.770 4.324 4.205 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 1829 1 92 ILE HG12 1 93 GLU H 5.500 . 5.500 4.699 4.505 5.363 . 0 0 "[ . 1 . 2 . 3]" 1 1830 1 92 ILE HG13 1 93 GLU H 5.500 . 5.500 5.076 4.842 5.187 . 0 0 "[ . 1 . 2 . 3]" 1 1831 1 92 ILE MG 1 93 GLU H 4.080 . 4.080 3.078 2.663 3.886 . 0 0 "[ . 1 . 2 . 3]" 1 1832 1 93 GLU H 1 93 GLU HB2 3.740 . 3.740 3.075 2.369 3.810 0.070 4 0 "[ . 1 . 2 . 3]" 1 1833 1 93 GLU H 1 93 GLU QB 3.060 . 3.060 2.718 2.340 3.115 0.055 5 0 "[ . 1 . 2 . 3]" 1 1834 1 93 GLU H 1 93 GLU HB3 3.740 . 3.740 3.462 2.393 3.801 0.061 26 0 "[ . 1 . 2 . 3]" 1 1835 1 93 GLU H 1 93 GLU HG2 4.150 . 4.150 3.117 1.974 4.188 0.038 21 0 "[ . 1 . 2 . 3]" 1 1836 1 93 GLU H 1 93 GLU QG 3.610 . 3.610 2.667 1.957 3.245 . 0 0 "[ . 1 . 2 . 3]" 1 1837 1 93 GLU H 1 93 GLU HG3 4.150 . 4.150 3.378 2.348 4.163 0.013 7 0 "[ . 1 . 2 . 3]" 1 1838 1 93 GLU HA 1 94 GLU H 2.830 . 2.830 2.362 2.179 2.537 . 0 0 "[ . 1 . 2 . 3]" 1 1839 1 93 GLU QB 1 94 GLU H 3.450 . 3.450 2.707 2.306 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 1840 1 93 GLU QG 1 94 GLU H 4.630 . 4.630 3.970 2.149 4.650 0.020 22 0 "[ . 1 . 2 . 3]" 1 1841 1 94 GLU H 1 94 GLU QB 3.020 . 3.020 2.717 2.393 3.077 0.057 19 0 "[ . 1 . 2 . 3]" 1 1842 1 94 GLU HA 1 95 ASP H 2.900 . 2.900 2.240 2.083 2.417 . 0 0 "[ . 1 . 2 . 3]" 1 1843 1 94 GLU QB 1 95 ASP H 3.190 . 3.190 2.905 2.366 3.276 0.086 21 0 "[ . 1 . 2 . 3]" 1 1844 1 95 ASP H 1 95 ASP HB2 3.890 . 3.890 3.170 2.045 3.903 0.013 29 0 "[ . 1 . 2 . 3]" 1 1845 1 95 ASP H 1 95 ASP QB 3.140 . 3.140 2.675 2.028 3.058 . 0 0 "[ . 1 . 2 . 3]" 1 1846 1 95 ASP H 1 95 ASP HB3 3.890 . 3.890 2.989 2.681 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 1847 1 95 ASP H 1 96 ILE H 3.700 . 3.700 3.241 2.367 3.743 0.043 29 0 "[ . 1 . 2 . 3]" 1 1848 1 95 ASP H 1 96 ILE QG 5.340 . 5.340 4.200 2.656 5.179 . 0 0 "[ . 1 . 2 . 3]" 1 1849 1 95 ASP HA 1 96 ILE H 3.050 . 3.050 2.477 2.116 3.121 0.071 29 0 "[ . 1 . 2 . 3]" 1 1850 1 95 ASP QB 1 96 ILE H 4.440 . 4.440 3.934 2.107 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 1851 1 96 ILE H 1 96 ILE MD 4.690 . 4.690 3.784 2.985 4.685 . 0 0 "[ . 1 . 2 . 3]" 1 1852 1 96 ILE H 1 96 ILE HG12 4.030 . 4.030 2.492 1.973 3.561 . 0 0 "[ . 1 . 2 . 3]" 1 1853 1 96 ILE H 1 96 ILE QG 3.350 . 3.350 2.179 1.881 3.283 . 0 0 "[ . 1 . 2 . 3]" 1 1854 1 96 ILE H 1 96 ILE HG13 4.030 . 4.030 2.831 1.955 4.050 0.020 5 0 "[ . 1 . 2 . 3]" 1 1855 1 96 ILE H 1 96 ILE MG 4.340 . 4.340 3.080 2.256 3.959 . 0 0 "[ . 1 . 2 . 3]" 1 1856 1 96 ILE H 1 97 ARG H 3.570 . 3.570 3.024 2.122 3.616 0.046 17 0 "[ . 1 . 2 . 3]" 1 1857 1 96 ILE HA 1 97 ARG H 2.980 . 2.980 2.779 2.249 3.060 0.080 4 0 "[ . 1 . 2 . 3]" 1 1858 1 96 ILE HA 1 98 GLN H 4.030 . 4.030 3.553 2.954 4.105 0.075 4 0 "[ . 1 . 2 . 3]" 1 1859 1 96 ILE HB 1 96 ILE MD 3.480 . 3.480 2.484 2.325 3.321 . 0 0 "[ . 1 . 2 . 3]" 1 1860 1 96 ILE HB 1 97 ARG HA 5.500 . 5.500 4.957 4.505 5.561 0.061 17 0 "[ . 1 . 2 . 3]" 1 1861 1 96 ILE HB 1 98 GLN H 4.940 . 4.940 4.284 3.362 4.938 . 0 0 "[ . 1 . 2 . 3]" 1 1862 1 96 ILE MG 1 97 ARG H 4.610 . 4.610 4.257 3.962 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 1863 1 97 ARG H 1 97 ARG HB2 3.880 . 3.880 2.719 1.993 3.820 . 0 0 "[ . 1 . 2 . 3]" 1 1864 1 97 ARG H 1 97 ARG QB 3.290 . 3.290 2.382 1.968 2.979 . 0 0 "[ . 1 . 2 . 3]" 1 1865 1 97 ARG H 1 97 ARG HB3 3.880 . 3.880 3.012 2.370 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 1866 1 97 ARG H 1 97 ARG QD 5.500 . 5.500 4.059 3.031 5.270 . 0 0 "[ . 1 . 2 . 3]" 1 1867 1 97 ARG H 1 97 ARG QG 4.230 . 4.230 3.154 1.792 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 1868 1 97 ARG H 1 98 GLN H 4.150 . 4.150 3.165 2.397 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 1869 1 97 ARG HA 1 98 GLN H 3.070 . 3.070 2.759 2.467 3.109 0.039 9 0 "[ . 1 . 2 . 3]" 1 1870 1 97 ARG QB 1 98 GLN H 4.440 . 4.440 3.850 3.357 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_
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