NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
450183 | 2pxg | 6797 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pxg 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 822 _Distance_constraint_stats_list.Viol_count 4488 _Distance_constraint_stats_list.Viol_total 9329.879 _Distance_constraint_stats_list.Viol_max 3.390 _Distance_constraint_stats_list.Viol_rms 0.1097 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0284 _Distance_constraint_stats_list.Viol_average_violations_only 0.1039 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 2.422 0.559 20 1 "[ . 1 . +]" 1 2 ALA 3.422 0.559 20 1 "[ . 1 . +]" 1 3 GLY 1.072 0.189 12 0 "[ . 1 . 2]" 1 4 SER 0.492 0.118 6 0 "[ . 1 . 2]" 1 5 GLY 1.128 0.278 5 0 "[ . 1 . 2]" 1 6 ILE 3.115 0.310 3 0 "[ . 1 . 2]" 1 7 ILE 2.835 0.455 8 0 "[ . 1 . 2]" 1 8 TYR 4.334 0.270 19 0 "[ . 1 . 2]" 1 9 LYS 3.783 0.243 15 0 "[ . 1 . 2]" 1 10 GLN 3.113 0.233 3 0 "[ . 1 . 2]" 1 11 PRO 2.189 0.265 17 0 "[ . 1 . 2]" 1 12 ILE 4.496 0.265 17 0 "[ . 1 . 2]" 1 13 TYR 6.359 0.455 15 0 "[ . 1 . 2]" 1 14 GLN 11.284 0.455 15 0 "[ . 1 . 2]" 1 15 GLY 5.849 0.598 19 1 "[ . 1 . +2]" 1 16 ASN 26.009 1.919 5 15 "[ * *+***** * **** *-]" 1 17 LEU 4.176 0.738 9 4 "[ . +1 * . -*]" 1 18 ILE 27.338 1.919 5 16 "[ ***+***** * **** *-]" 1 19 LYS 16.336 0.954 3 8 "[ +** * 1** .- * 2]" 1 20 GLN 10.163 0.748 11 6 "[ ** * 1+ .- * 2]" 1 21 ASN 8.629 0.540 16 1 "[ . 1 .+ 2]" 1 22 ALA 5.259 0.954 3 2 "[ + . 1 - . 2]" 1 23 VAL 5.037 0.241 3 0 "[ . 1 . 2]" 1 24 GLU 6.497 0.342 3 0 "[ . 1 . 2]" 1 25 GLN 5.042 0.218 8 0 "[ . 1 . 2]" 1 26 LEU 18.702 0.989 18 7 "[ * .* * 1- ** + 2]" 1 27 GLN 3.864 0.280 19 0 "[ . 1 . 2]" 1 28 VAL 3.991 0.175 14 0 "[ . 1 . 2]" 1 29 GLY 3.496 0.237 5 0 "[ . 1 . 2]" 1 30 GLN 4.578 1.160 17 1 "[ . 1 . + 2]" 1 31 SER 7.623 0.447 5 0 "[ . 1 . 2]" 1 32 LYS 3.165 0.217 1 0 "[ . 1 . 2]" 1 33 GLN 5.678 0.217 1 0 "[ . 1 . 2]" 1 34 GLN 7.259 0.188 3 0 "[ . 1 . 2]" 1 35 VAL 8.333 0.180 8 0 "[ . 1 . 2]" 1 36 SER 13.021 0.191 6 0 "[ . 1 . 2]" 1 37 ALA 8.140 0.260 6 0 "[ . 1 . 2]" 1 38 LEU 8.905 0.206 15 0 "[ . 1 . 2]" 1 39 LEU 47.898 3.390 2 17 "[ +********* **.****-]" 1 40 GLY 9.402 0.252 8 0 "[ . 1 . 2]" 1 41 THR 5.151 0.260 6 0 "[ . 1 . 2]" 1 42 PRO 1.780 0.110 7 0 "[ . 1 . 2]" 1 43 SER 7.448 0.431 14 0 "[ . 1 . 2]" 1 44 ILE 6.457 0.431 14 0 "[ . 1 . 2]" 1 45 PRO 2.984 0.226 5 0 "[ . 1 . 2]" 1 46 ASP 5.198 0.344 19 0 "[ . 1 . 2]" 1 47 PRO 2.998 0.332 16 0 "[ . 1 . 2]" 1 48 PHE 7.181 0.344 19 0 "[ . 1 . 2]" 1 49 HIS 3.269 0.340 15 0 "[ . 1 . 2]" 1 50 ALA 2.576 0.332 16 0 "[ . 1 . 2]" 1 51 GLN 4.957 0.355 14 0 "[ . 1 . 2]" 1 52 ARG 8.677 0.362 19 0 "[ . 1 . 2]" 1 53 TRP 5.655 0.218 14 0 "[ . 1 . 2]" 1 54 ASP 2.737 0.351 14 0 "[ . 1 . 2]" 1 55 TYR 3.594 0.351 14 0 "[ . 1 . 2]" 1 56 THR 3.769 0.435 19 0 "[ . 1 . 2]" 1 57 SER 15.778 0.724 12 11 "[** * ****+* .- *2]" 1 58 THR 25.062 1.578 10 11 "[ * * *+**- *** *2]" 1 59 GLN 17.375 1.015 5 12 "[ ***+*- *1 ***. **]" 1 60 ARG 2.556 0.592 14 1 "[ . 1 +. 2]" 1 61 VAL 7.111 0.562 11 1 "[ . 1+ . 2]" 1 62 ASP 4.476 0.562 11 1 "[ . 1+ . 2]" 1 63 ARG 1.378 0.368 14 0 "[ . 1 . 2]" 1 64 LEU 2.750 0.246 6 0 "[ . 1 . 2]" 1 65 ALA 0.915 0.128 16 0 "[ . 1 . 2]" 1 66 ARG 3.315 0.351 20 0 "[ . 1 . 2]" 1 67 THR 5.463 0.351 20 0 "[ . 1 . 2]" 1 68 GLU 13.947 1.015 5 12 "[ ***+*- *1 ***. **]" 1 69 ILE 24.434 1.578 10 11 "[ * * *+*-* *** *2]" 1 70 LYS 3.966 0.313 12 0 "[ . 1 . 2]" 1 71 ASN 26.126 1.451 14 15 "[*** ** ******+.- **]" 1 72 PHE 3.347 0.433 9 0 "[ . 1 . 2]" 1 73 THR 9.486 0.246 15 0 "[ . 1 . 2]" 1 74 VAL 6.683 0.387 8 0 "[ . 1 . 2]" 1 75 PHE 3.535 0.152 13 0 "[ . 1 . 2]" 1 76 PHE 11.309 0.362 19 0 "[ . 1 . 2]" 1 77 GLU 6.698 0.272 6 0 "[ . 1 . 2]" 1 78 ASN 2.868 0.173 8 0 "[ . 1 . 2]" 1 79 GLU 1.805 0.144 15 0 "[ . 1 . 2]" 1 80 GLN 11.262 0.447 5 0 "[ . 1 . 2]" 1 81 VAL 10.695 1.160 17 1 "[ . 1 . + 2]" 1 82 VAL 2.022 0.166 18 0 "[ . 1 . 2]" 1 83 ARG 6.585 0.471 1 0 "[ . 1 . 2]" 1 84 TRP 16.430 0.989 18 7 "[ * .* * 1- ** + 2]" 1 85 GLU 5.640 0.387 8 0 "[ . 1 . 2]" 1 86 GLY 1.935 0.242 12 0 "[ . 1 . 2]" 1 87 ASP 1.094 0.299 12 0 "[ . 1 . 2]" 1 88 TYR 10.061 1.451 14 5 "[ - .* * 1 +. *]" 1 89 PHE 34.210 3.390 2 17 "[ +********* **.****-]" 1 90 PRO 4.172 0.239 6 0 "[ . 1 . 2]" 1 91 SER 4.683 0.521 8 1 "[ . + 1 . 2]" 1 92 GLN 5.755 0.536 7 2 "[ . +- 1 . 2]" 1 93 ASP 18.605 0.728 18 16 "[*-*** * *****.**+**]" 1 94 GLU 9.506 0.580 12 3 "[ * - 1 + . 2]" 1 95 GLN 9.354 0.651 4 5 "[ *+- 1 * .* 2]" 1 96 LEU 5.393 0.651 4 2 "[ +. 1 .- 2]" 1 97 ALA 1.846 0.421 5 0 "[ . 1 . 2]" 1 98 LYS 1.480 0.421 5 0 "[ . 1 . 2]" 1 99 ALA 2.591 0.275 7 0 "[ . 1 . 2]" 1 100 ALA 1.962 0.275 7 0 "[ . 1 . 2]" 1 101 PRO 0.828 0.219 13 0 "[ . 1 . 2]" 1 102 LYS 0.878 0.105 1 0 "[ . 1 . 2]" 1 103 GLN 2.315 0.491 6 0 "[ . 1 . 2]" 1 104 PHE 6.336 0.491 6 0 "[ . 1 . 2]" 1 105 GLY 4.884 0.377 19 0 "[ . 1 . 2]" 1 106 ARG 0.946 0.143 12 0 "[ . 1 . 2]" 1 107 ASN 1.521 0.143 12 0 "[ . 1 . 2]" 1 108 LEU 3.358 0.337 20 0 "[ . 1 . 2]" 1 109 ALA 4.479 0.519 17 3 "[ . 1* . + -2]" 1 110 ARG 3.883 0.519 17 3 "[ . 1* . + -2]" 1 111 ASP 4.531 0.322 13 0 "[ . 1 . 2]" 1 112 LYS 6.189 0.370 13 0 "[ . 1 . 2]" 1 113 LYS 4.526 0.370 13 0 "[ . 1 . 2]" 1 114 LYS 2.997 0.537 1 1 "[+ . 1 . 2]" 1 115 GLN 7.760 0.537 1 1 "[+ . 1 . 2]" 1 116 ARG 7.026 0.495 10 0 "[ . 1 . 2]" 1 117 GLY 7.068 0.495 10 0 "[ . 1 . 2]" 1 118 ARG 1.360 0.412 7 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 MET HA 1 2 ALA MB 4.540 . 4.540 4.382 3.929 5.099 0.559 20 1 "[ . 1 . +]" 1 2 1 2 ALA H 1 3 GLY H 4.350 . 4.350 4.294 3.179 4.539 0.189 12 0 "[ . 1 . 2]" 1 3 1 2 ALA HA 1 2 ALA MB 2.490 . 2.490 2.173 2.159 2.195 . 0 0 "[ . 1 . 2]" 1 4 1 2 ALA HA 1 3 GLY H 2.270 . 2.270 2.171 2.096 2.287 0.017 4 0 "[ . 1 . 2]" 1 5 1 3 GLY H 1 3 GLY QA 2.560 . 2.560 2.398 2.291 2.592 0.032 11 0 "[ . 1 . 2]" 1 6 1 3 GLY H 1 4 SER H 3.930 . 3.930 3.338 2.657 3.961 0.031 19 0 "[ . 1 . 2]" 1 7 1 3 GLY QA 1 4 SER H 2.970 . 2.970 2.419 2.166 2.733 . 0 0 "[ . 1 . 2]" 1 8 1 4 SER H 1 5 GLY H 4.120 . 4.120 3.997 3.351 4.238 0.118 6 0 "[ . 1 . 2]" 1 9 1 4 SER HA 1 5 GLY H 2.250 . 2.250 2.206 2.100 2.338 0.088 4 0 "[ . 1 . 2]" 1 10 1 4 SER HA 1 5 GLY HA2 4.630 . 4.630 4.536 4.261 4.638 0.008 17 0 "[ . 1 . 2]" 1 11 1 4 SER HA 1 5 GLY HA3 4.630 . 4.630 4.528 4.045 4.646 0.016 4 0 "[ . 1 . 2]" 1 12 1 5 GLY H 1 5 GLY QA 2.550 . 2.550 2.371 2.264 2.587 0.037 11 0 "[ . 1 . 2]" 1 13 1 5 GLY H 1 6 ILE H 3.840 . 3.840 3.583 2.869 4.118 0.278 5 0 "[ . 1 . 2]" 1 14 1 5 GLY QA 1 6 ILE H 2.990 . 2.990 2.384 2.140 2.751 . 0 0 "[ . 1 . 2]" 1 15 1 6 ILE H 1 6 ILE HB 3.760 . 3.760 2.863 2.456 3.770 0.010 13 0 "[ . 1 . 2]" 1 16 1 6 ILE H 1 6 ILE MG 2.680 . 2.680 2.145 2.043 2.793 0.113 13 0 "[ . 1 . 2]" 1 17 1 6 ILE H 1 7 ILE H 3.900 . 3.900 3.897 3.454 4.210 0.310 3 0 "[ . 1 . 2]" 1 18 1 6 ILE HA 1 6 ILE HB 2.480 . 2.480 2.363 2.320 2.458 . 0 0 "[ . 1 . 2]" 1 19 1 6 ILE HA 1 6 ILE MG 3.390 . 3.390 3.228 2.232 3.290 . 0 0 "[ . 1 . 2]" 1 20 1 6 ILE HA 1 7 ILE H 2.320 . 2.320 2.264 2.070 2.477 0.157 8 0 "[ . 1 . 2]" 1 21 1 6 ILE HA 1 8 TYR H 4.600 . 4.600 4.595 4.241 4.870 0.270 19 0 "[ . 1 . 2]" 1 22 1 7 ILE H 1 7 ILE HB 2.650 . 2.650 2.684 2.447 3.105 0.455 8 0 "[ . 1 . 2]" 1 23 1 7 ILE H 1 7 ILE MG 3.470 . 3.470 2.182 2.099 2.407 . 0 0 "[ . 1 . 2]" 1 24 1 7 ILE H 1 8 TYR H 3.940 . 3.940 3.900 3.670 4.010 0.070 11 0 "[ . 1 . 2]" 1 25 1 7 ILE HA 1 7 ILE HB 2.400 . 2.400 2.399 2.370 2.424 0.024 7 0 "[ . 1 . 2]" 1 26 1 7 ILE HA 1 7 ILE MG 3.950 . 3.950 3.337 3.322 3.351 . 0 0 "[ . 1 . 2]" 1 27 1 7 ILE HA 1 8 TYR H 2.280 . 2.280 2.256 2.093 2.330 0.050 9 0 "[ . 1 . 2]" 1 28 1 7 ILE MD 1 8 TYR H 3.810 . 3.810 3.617 3.098 3.744 . 0 0 "[ . 1 . 2]" 1 29 1 8 TYR H 1 8 TYR HA 2.920 . 2.920 2.962 2.697 3.066 0.146 14 0 "[ . 1 . 2]" 1 30 1 8 TYR H 1 8 TYR QB 3.350 . 3.350 2.549 2.139 2.977 . 0 0 "[ . 1 . 2]" 1 31 1 8 TYR H 1 9 LYS H 4.390 . 4.390 4.364 3.920 4.633 0.243 15 0 "[ . 1 . 2]" 1 32 1 8 TYR HA 1 9 LYS H 2.240 . 2.240 2.177 2.082 2.301 0.061 4 0 "[ . 1 . 2]" 1 33 1 9 LYS H 1 10 GLN HA 4.520 . 4.520 4.579 3.882 4.753 0.233 3 0 "[ . 1 . 2]" 1 34 1 9 LYS HA 1 9 LYS QD 6.080 . 6.080 3.813 2.278 4.601 . 0 0 "[ . 1 . 2]" 1 35 1 9 LYS HA 1 9 LYS QG 3.980 . 3.980 2.665 2.262 3.464 . 0 0 "[ . 1 . 2]" 1 36 1 9 LYS HA 1 10 GLN H 2.190 . 2.190 2.173 2.089 2.309 0.119 20 0 "[ . 1 . 2]" 1 37 1 9 LYS QB 1 10 GLN H 5.400 . 5.400 3.720 2.913 4.090 . 0 0 "[ . 1 . 2]" 1 38 1 10 GLN H 1 10 GLN QB 3.860 . 3.860 2.559 2.300 3.102 . 0 0 "[ . 1 . 2]" 1 39 1 10 GLN H 1 10 GLN QG 4.750 . 4.750 2.781 2.301 4.106 . 0 0 "[ . 1 . 2]" 1 40 1 10 GLN HA 1 10 GLN QB 2.600 . 2.600 2.381 2.106 2.495 . 0 0 "[ . 1 . 2]" 1 41 1 10 GLN HA 1 11 PRO HD2 2.460 . 2.460 2.415 2.294 2.546 0.086 4 0 "[ . 1 . 2]" 1 42 1 10 GLN HA 1 11 PRO QD 2.220 . 2.220 2.150 2.088 2.218 . 0 0 "[ . 1 . 2]" 1 43 1 10 GLN HA 1 11 PRO HD3 2.460 . 2.460 2.429 2.228 2.568 0.108 3 0 "[ . 1 . 2]" 1 44 1 10 GLN QB 1 12 ILE H 5.360 . 5.360 3.802 3.332 4.306 . 0 0 "[ . 1 . 2]" 1 45 1 11 PRO HA 1 12 ILE H 2.380 . 2.380 2.439 2.287 2.645 0.265 17 0 "[ . 1 . 2]" 1 46 1 12 ILE H 1 12 ILE HA 2.930 . 2.930 2.993 2.858 3.065 0.135 19 0 "[ . 1 . 2]" 1 47 1 12 ILE H 1 12 ILE QG 5.550 . 5.550 4.362 4.122 4.673 . 0 0 "[ . 1 . 2]" 1 48 1 12 ILE H 1 13 TYR H 3.830 . 3.830 3.701 3.010 4.071 0.241 13 0 "[ . 1 . 2]" 1 49 1 12 ILE HA 1 12 ILE HB 2.410 . 2.410 2.408 2.365 2.465 0.055 13 0 "[ . 1 . 2]" 1 50 1 12 ILE HA 1 12 ILE MD 3.810 . 3.810 2.851 2.199 3.605 . 0 0 "[ . 1 . 2]" 1 51 1 12 ILE HA 1 12 ILE QG 3.640 . 3.640 2.606 2.250 3.042 . 0 0 "[ . 1 . 2]" 1 52 1 12 ILE HA 1 13 TYR H 2.250 . 2.250 2.214 2.058 2.343 0.093 18 0 "[ . 1 . 2]" 1 53 1 12 ILE HB 1 13 TYR H 4.470 . 4.470 4.473 4.282 4.545 0.075 1 0 "[ . 1 . 2]" 1 54 1 12 ILE QG 1 13 TYR H 5.350 . 5.350 3.929 3.294 4.353 . 0 0 "[ . 1 . 2]" 1 55 1 12 ILE MG 1 13 TYR H 4.980 . 4.980 4.361 4.120 4.470 . 0 0 "[ . 1 . 2]" 1 56 1 13 TYR H 1 13 TYR HA 2.930 . 2.930 2.984 2.884 3.073 0.143 2 0 "[ . 1 . 2]" 1 57 1 13 TYR H 1 13 TYR HD1 5.190 . 5.190 4.610 2.410 5.250 0.060 15 0 "[ . 1 . 2]" 1 58 1 13 TYR H 1 14 GLN H 4.010 . 4.010 4.002 2.852 4.465 0.455 15 0 "[ . 1 . 2]" 1 59 1 13 TYR HA 1 13 TYR HD1 4.340 . 4.340 2.927 2.324 4.341 0.001 7 0 "[ . 1 . 2]" 1 60 1 13 TYR HA 1 14 GLN H 2.200 . 2.200 2.187 2.032 2.463 0.263 12 0 "[ . 1 . 2]" 1 61 1 14 GLN H 1 14 GLN HA 2.800 . 2.800 2.877 2.782 3.002 0.202 12 0 "[ . 1 . 2]" 1 62 1 14 GLN H 1 14 GLN HB3 2.460 . 2.460 2.553 2.368 2.914 0.454 15 0 "[ . 1 . 2]" 1 63 1 14 GLN H 1 14 GLN QG 4.710 . 4.710 3.250 2.260 3.654 . 0 0 "[ . 1 . 2]" 1 64 1 14 GLN H 1 15 GLY H 3.130 . 3.130 3.016 2.547 3.485 0.355 12 0 "[ . 1 . 2]" 1 65 1 14 GLN HA 1 14 GLN HB3 2.410 . 2.410 2.401 2.161 2.508 0.098 3 0 "[ . 1 . 2]" 1 66 1 14 GLN HA 1 14 GLN QG 4.000 . 4.000 3.561 3.470 3.609 . 0 0 "[ . 1 . 2]" 1 67 1 14 GLN HA 1 15 GLY H 3.440 . 3.440 3.406 2.075 3.593 0.153 2 0 "[ . 1 . 2]" 1 68 1 14 GLN HA 1 16 ASN H 4.770 . 4.770 4.342 3.483 4.949 0.179 1 0 "[ . 1 . 2]" 1 69 1 14 GLN HB3 1 15 GLY H 4.150 . 4.150 4.118 3.940 4.412 0.262 9 0 "[ . 1 . 2]" 1 70 1 14 GLN QG 1 94 GLU H 4.450 . 4.450 3.499 2.261 4.297 . 0 0 "[ . 1 . 2]" 1 71 1 14 GLN HG2 1 94 GLU H 4.830 . 4.830 3.934 2.318 5.031 0.201 12 0 "[ . 1 . 2]" 1 72 1 14 GLN HG3 1 94 GLU H 4.830 . 4.830 4.179 2.489 4.966 0.136 4 0 "[ . 1 . 2]" 1 73 1 15 GLY H 1 16 ASN H 3.610 . 3.610 3.564 2.865 4.208 0.598 19 1 "[ . 1 . +2]" 1 74 1 15 GLY QA 1 16 ASN H 2.980 . 2.980 2.400 2.117 2.837 . 0 0 "[ . 1 . 2]" 1 75 1 16 ASN H 1 16 ASN HA 2.780 . 2.780 2.918 2.757 3.058 0.278 1 0 "[ . 1 . 2]" 1 76 1 16 ASN H 1 16 ASN QB 3.360 . 3.360 2.598 2.139 3.300 . 0 0 "[ . 1 . 2]" 1 77 1 16 ASN H 1 17 LEU H 3.230 . 3.230 2.888 2.120 3.335 0.105 1 0 "[ . 1 . 2]" 1 78 1 16 ASN HA 1 17 LEU H 3.580 . 3.580 3.545 3.413 3.613 0.033 8 0 "[ . 1 . 2]" 1 79 1 16 ASN HA 1 18 ILE H 4.800 . 4.800 5.710 4.217 6.719 1.919 5 15 "[ * *+***** * **** *-]" 1 80 1 16 ASN QB 1 17 LEU H 4.010 . 4.010 2.691 2.122 3.330 . 0 0 "[ . 1 . 2]" 1 81 1 17 LEU H 1 17 LEU HB2 3.760 . 3.760 2.955 2.251 3.883 0.123 6 0 "[ . 1 . 2]" 1 82 1 17 LEU H 1 17 LEU QB 3.270 . 3.270 2.621 2.228 3.022 . 0 0 "[ . 1 . 2]" 1 83 1 17 LEU H 1 17 LEU HB3 3.760 . 3.760 3.441 2.681 3.816 0.056 5 0 "[ . 1 . 2]" 1 84 1 17 LEU H 1 17 LEU MD1 4.340 . 4.340 3.508 2.402 4.265 . 0 0 "[ . 1 . 2]" 1 85 1 17 LEU H 1 17 LEU MD2 3.690 . 3.690 3.256 1.831 4.428 0.738 9 4 "[ . +1 * . -*]" 1 86 1 17 LEU HA 1 18 ILE H 3.600 . 3.600 3.581 3.433 3.707 0.107 19 0 "[ . 1 . 2]" 1 87 1 17 LEU QB 1 17 LEU MD2 3.980 . 3.980 2.292 2.074 2.570 . 0 0 "[ . 1 . 2]" 1 88 1 18 ILE H 1 18 ILE HB 2.360 . 2.360 2.358 2.157 2.501 0.141 14 0 "[ . 1 . 2]" 1 89 1 18 ILE H 1 18 ILE MD 4.970 . 4.970 3.877 2.939 4.345 . 0 0 "[ . 1 . 2]" 1 90 1 18 ILE H 1 18 ILE HG12 3.860 . 3.860 2.758 2.174 3.118 . 0 0 "[ . 1 . 2]" 1 91 1 18 ILE H 1 18 ILE QG 3.180 . 3.180 2.699 2.158 3.007 . 0 0 "[ . 1 . 2]" 1 92 1 18 ILE H 1 18 ILE HG13 3.860 . 3.860 3.899 3.627 4.122 0.262 8 0 "[ . 1 . 2]" 1 93 1 18 ILE H 1 18 ILE MG . . 4.390 3.808 3.666 3.895 . 0 0 "[ . 1 . 2]" 1 94 1 18 ILE HA 1 18 ILE MD 3.010 . 3.010 2.206 2.018 2.429 . 0 0 "[ . 1 . 2]" 1 95 1 18 ILE HA 1 18 ILE QG 3.910 . 3.910 2.834 2.550 3.150 . 0 0 "[ . 1 . 2]" 1 96 1 18 ILE HA 1 18 ILE MG 2.890 . 2.890 2.716 2.529 2.877 . 0 0 "[ . 1 . 2]" 1 97 1 18 ILE HA 1 19 LYS H 3.580 . 3.580 2.284 2.061 3.601 0.021 3 0 "[ . 1 . 2]" 1 98 1 18 ILE HA 1 23 VAL QG . . 3.310 2.635 2.181 3.124 . 0 0 "[ . 1 . 2]" 1 99 1 18 ILE HA 1 39 LEU QD . . 2.580 2.834 2.330 3.164 0.584 6 4 "[ * .+ * 1 . -]" 1 100 1 18 ILE MD 1 18 ILE QG 2.690 . 2.690 1.949 1.934 1.969 . 0 0 "[ . 1 . 2]" 1 101 1 18 ILE MD 1 23 VAL QG 4.060 . 4.060 2.742 2.020 3.090 . 0 0 "[ . 1 . 2]" 1 102 1 18 ILE MD 1 39 LEU QD 4.870 . 4.870 1.935 1.814 2.059 0.086 8 0 "[ . 1 . 2]" 1 103 1 18 ILE MD 1 88 TYR QD 4.550 . 4.550 2.518 2.009 3.216 . 0 0 "[ . 1 . 2]" 1 104 1 19 LYS H 1 20 GLN H 3.600 . 3.600 3.875 2.058 4.348 0.748 11 6 "[ ** * 1+ .- * 2]" 1 105 1 19 LYS HA 1 19 LYS QB 2.530 . 2.530 2.338 2.115 2.491 . 0 0 "[ . 1 . 2]" 1 106 1 19 LYS HA 1 20 GLN H 3.450 . 3.450 2.297 2.133 3.459 0.009 3 0 "[ . 1 . 2]" 1 107 1 19 LYS HA 1 21 ASN H 4.200 . 4.200 4.422 3.970 4.740 0.540 16 1 "[ . 1 .+ 2]" 1 108 1 19 LYS HA 1 22 ALA H 4.820 . 4.820 4.901 3.841 5.774 0.954 3 2 "[ + . 1 - . 2]" 1 109 1 19 LYS QG 1 39 LEU QD 8.040 . 8.040 5.581 3.030 6.288 . 0 0 "[ . 1 . 2]" 1 110 1 20 GLN H 1 20 GLN HA 2.840 . 2.840 2.875 2.727 3.034 0.194 11 0 "[ . 1 . 2]" 1 111 1 20 GLN H 1 20 GLN HB2 2.930 . 2.930 2.402 2.177 2.869 . 0 0 "[ . 1 . 2]" 1 112 1 20 GLN H 1 20 GLN QB 2.420 . 2.420 2.226 2.129 2.383 . 0 0 "[ . 1 . 2]" 1 113 1 20 GLN H 1 20 GLN HB3 2.930 . 2.930 2.711 2.423 3.012 0.082 17 0 "[ . 1 . 2]" 1 114 1 20 GLN H 1 20 GLN QG 5.340 . 5.340 4.081 3.774 4.218 . 0 0 "[ . 1 . 2]" 1 115 1 20 GLN H 1 21 ASN H 3.480 . 3.480 3.256 2.401 3.620 0.140 7 0 "[ . 1 . 2]" 1 116 1 20 GLN HA 1 20 GLN QG 3.910 . 3.910 2.555 2.294 3.102 . 0 0 "[ . 1 . 2]" 1 117 1 20 GLN HA 1 21 ASN H 3.530 . 3.530 3.156 2.313 3.590 0.060 14 0 "[ . 1 . 2]" 1 118 1 20 GLN QB 1 23 VAL H 7.580 . 7.580 5.413 4.794 5.925 . 0 0 "[ . 1 . 2]" 1 119 1 21 ASN H 1 22 ALA H 2.740 . 2.740 2.530 2.108 2.808 0.068 19 0 "[ . 1 . 2]" 1 120 1 21 ASN H 1 23 VAL H 4.130 . 4.130 3.609 2.533 4.329 0.199 1 0 "[ . 1 . 2]" 1 121 1 21 ASN H 1 24 GLU H 4.920 . 4.920 4.149 2.650 5.076 0.156 1 0 "[ . 1 . 2]" 1 122 1 21 ASN HA 1 24 GLU H 3.590 . 3.590 3.501 2.983 3.932 0.342 3 0 "[ . 1 . 2]" 1 123 1 21 ASN HA 1 24 GLU HB2 4.120 . 4.120 3.622 3.033 4.191 0.071 1 0 "[ . 1 . 2]" 1 124 1 21 ASN HA 1 24 GLU QB 3.540 . 3.540 2.531 2.094 3.289 . 0 0 "[ . 1 . 2]" 1 125 1 21 ASN HA 1 24 GLU HB3 4.120 . 4.120 2.595 2.123 3.509 . 0 0 "[ . 1 . 2]" 1 126 1 21 ASN HA 1 25 GLN H 4.050 . 4.050 3.869 3.525 4.220 0.170 11 0 "[ . 1 . 2]" 1 127 1 22 ALA H 1 23 VAL H 2.780 . 2.780 2.679 2.296 3.021 0.241 3 0 "[ . 1 . 2]" 1 128 1 22 ALA H 1 24 GLU H 4.520 . 4.520 4.064 2.695 4.390 . 0 0 "[ . 1 . 2]" 1 129 1 22 ALA H 1 25 GLN H 4.900 . 4.900 4.551 3.140 4.802 . 0 0 "[ . 1 . 2]" 1 130 1 22 ALA HA 1 24 GLU H 4.810 . 4.810 4.467 4.081 4.671 . 0 0 "[ . 1 . 2]" 1 131 1 22 ALA HA 1 25 GLN H 3.630 . 3.630 3.317 2.888 3.664 0.034 19 0 "[ . 1 . 2]" 1 132 1 22 ALA HA 1 25 GLN HB2 4.450 . 4.450 3.419 2.174 4.446 . 0 0 "[ . 1 . 2]" 1 133 1 22 ALA HA 1 25 GLN QB 3.620 . 3.620 2.538 2.161 3.207 . 0 0 "[ . 1 . 2]" 1 134 1 22 ALA HA 1 25 GLN HB3 4.450 . 4.450 2.986 2.228 4.450 . 0 0 "[ . 1 . 2]" 1 135 1 22 ALA HA 1 26 LEU H 3.850 . 3.850 3.776 3.437 4.021 0.171 16 0 "[ . 1 . 2]" 1 136 1 23 VAL H 1 23 VAL HA 2.940 . 2.940 2.963 2.934 3.005 0.065 5 0 "[ . 1 . 2]" 1 137 1 23 VAL H 1 23 VAL HB 2.710 . 2.710 2.681 2.464 2.817 0.107 19 0 "[ . 1 . 2]" 1 138 1 23 VAL H 1 23 VAL QG . . 2.320 2.305 2.227 2.410 0.090 11 0 "[ . 1 . 2]" 1 139 1 23 VAL H 1 24 GLU H 2.920 . 2.920 2.755 2.630 2.917 . 0 0 "[ . 1 . 2]" 1 140 1 23 VAL H 1 25 GLN H 4.240 . 4.240 4.200 3.971 4.304 0.064 19 0 "[ . 1 . 2]" 1 141 1 23 VAL H 1 26 LEU H 4.740 . 4.740 4.781 4.706 4.850 0.110 13 0 "[ . 1 . 2]" 1 142 1 23 VAL HA 1 23 VAL QG 2.590 . 2.590 2.187 2.141 2.250 . 0 0 "[ . 1 . 2]" 1 143 1 23 VAL HA 1 24 GLU H 3.530 . 3.530 3.563 3.539 3.598 0.068 13 0 "[ . 1 . 2]" 1 144 1 23 VAL HA 1 26 LEU H 3.630 . 3.630 3.465 3.172 3.693 0.063 6 0 "[ . 1 . 2]" 1 145 1 23 VAL HA 1 26 LEU MD1 4.040 . 4.040 3.608 3.455 3.720 . 0 0 "[ . 1 . 2]" 1 146 1 23 VAL HA 1 26 LEU MD2 . . 2.300 2.144 2.073 2.191 . 0 0 "[ . 1 . 2]" 1 147 1 23 VAL HB 1 23 VAL QG 2.530 . 2.530 1.957 1.943 1.969 . 0 0 "[ . 1 . 2]" 1 148 1 23 VAL HB 1 24 GLU H 2.990 . 2.990 2.944 2.776 3.178 0.188 3 0 "[ . 1 . 2]" 1 149 1 23 VAL QG 1 24 GLU H 3.990 . 3.990 3.463 3.375 3.581 . 0 0 "[ . 1 . 2]" 1 150 1 23 VAL QG 1 24 GLU HA 4.150 . 4.150 3.967 3.795 4.078 . 0 0 "[ . 1 . 2]" 1 151 1 23 VAL QG 1 26 LEU MD1 5.550 . 5.550 3.193 2.931 3.390 . 0 0 "[ . 1 . 2]" 1 152 1 23 VAL QG 1 26 LEU MD2 4.380 . 4.380 2.341 2.110 2.458 . 0 0 "[ . 1 . 2]" 1 153 1 23 VAL QG 1 72 PHE HD1 4.570 . 4.570 4.047 3.641 4.319 . 0 0 "[ . 1 . 2]" 1 154 1 23 VAL QG 1 72 PHE HE1 5.100 . 5.100 2.489 2.175 2.813 . 0 0 "[ . 1 . 2]" 1 155 1 23 VAL QG 1 84 TRP HD1 4.380 . 4.380 3.182 2.842 3.755 . 0 0 "[ . 1 . 2]" 1 156 1 23 VAL QG 1 88 TYR QE 4.530 . 4.530 2.794 1.966 4.331 . 0 0 "[ . 1 . 2]" 1 157 1 24 GLU H 1 24 GLU HB2 2.630 . 2.630 2.552 2.291 2.743 0.113 18 0 "[ . 1 . 2]" 1 158 1 24 GLU H 1 24 GLU HB3 2.630 . 2.630 2.439 2.121 2.870 0.240 13 0 "[ . 1 . 2]" 1 159 1 24 GLU H 1 25 GLN H 2.780 . 2.780 2.722 2.422 2.870 0.090 17 0 "[ . 1 . 2]" 1 160 1 24 GLU H 1 26 LEU H 4.400 . 4.400 4.337 4.251 4.433 0.033 16 0 "[ . 1 . 2]" 1 161 1 24 GLU HA 1 24 GLU QG 3.340 . 3.340 2.637 2.370 2.850 . 0 0 "[ . 1 . 2]" 1 162 1 24 GLU HA 1 25 GLN H 3.500 . 3.500 3.560 3.516 3.589 0.089 20 0 "[ . 1 . 2]" 1 163 1 24 GLU HA 1 26 LEU H 4.680 . 4.680 4.703 4.568 4.779 0.099 18 0 "[ . 1 . 2]" 1 164 1 25 GLN H 1 26 LEU H 2.780 . 2.780 2.880 2.783 2.998 0.218 8 0 "[ . 1 . 2]" 1 165 1 25 GLN HA 1 25 GLN QB 2.670 . 2.670 2.418 2.100 2.588 . 0 0 "[ . 1 . 2]" 1 166 1 25 GLN HA 1 25 GLN QG 3.970 . 3.970 2.679 2.284 3.535 . 0 0 "[ . 1 . 2]" 1 167 1 25 GLN HA 1 26 LEU H 3.540 . 3.540 3.557 3.439 3.613 0.073 13 0 "[ . 1 . 2]" 1 168 1 25 GLN HA 1 27 GLN H 4.250 . 4.250 3.972 3.368 4.370 0.120 7 0 "[ . 1 . 2]" 1 169 1 26 LEU H 1 26 LEU HA 2.740 . 2.740 2.812 2.697 2.909 0.169 8 0 "[ . 1 . 2]" 1 170 1 26 LEU H 1 26 LEU HB2 3.690 . 3.690 3.735 3.719 3.758 0.068 3 0 "[ . 1 . 2]" 1 171 1 26 LEU H 1 26 LEU HB3 2.520 . 2.520 2.586 2.549 2.642 0.122 15 0 "[ . 1 . 2]" 1 172 1 26 LEU H 1 26 LEU MD1 4.880 . 4.880 3.805 3.628 3.946 . 0 0 "[ . 1 . 2]" 1 173 1 26 LEU H 1 26 LEU MD2 4.720 . 4.720 3.571 3.494 3.654 . 0 0 "[ . 1 . 2]" 1 174 1 26 LEU H 1 26 LEU HG 2.510 . 2.510 2.436 2.272 2.540 0.030 12 0 "[ . 1 . 2]" 1 175 1 26 LEU H 1 27 GLN H 3.260 . 3.260 3.102 2.807 3.341 0.081 7 0 "[ . 1 . 2]" 1 176 1 26 LEU HA 1 26 LEU HB3 2.300 . 2.300 2.292 2.239 2.326 0.026 14 0 "[ . 1 . 2]" 1 177 1 26 LEU HA 1 26 LEU MD1 4.580 . 4.580 3.808 3.783 3.837 . 0 0 "[ . 1 . 2]" 1 178 1 26 LEU HA 1 26 LEU MD2 4.820 . 4.820 4.074 4.045 4.099 . 0 0 "[ . 1 . 2]" 1 179 1 26 LEU HA 1 26 LEU HG 3.830 . 3.830 3.793 3.771 3.823 . 0 0 "[ . 1 . 2]" 1 180 1 26 LEU HA 1 27 GLN H 3.440 . 3.440 3.428 3.363 3.495 0.055 14 0 "[ . 1 . 2]" 1 181 1 26 LEU HA 1 28 VAL H 4.940 . 4.940 4.982 4.876 5.098 0.158 7 0 "[ . 1 . 2]" 1 182 1 26 LEU HB3 1 26 LEU MD1 3.790 . 3.790 3.315 3.290 3.329 . 0 0 "[ . 1 . 2]" 1 183 1 26 LEU HB3 1 26 LEU MD2 3.620 . 3.620 2.261 2.233 2.285 . 0 0 "[ . 1 . 2]" 1 184 1 26 LEU HB3 1 26 LEU HG 2.590 . 2.590 2.571 2.536 2.627 0.037 19 0 "[ . 1 . 2]" 1 185 1 26 LEU HB3 1 27 GLN H 4.360 . 4.360 4.288 4.063 4.390 0.030 12 0 "[ . 1 . 2]" 1 186 1 26 LEU HB3 1 84 TRP HZ2 5.440 . 5.440 5.792 5.083 6.429 0.989 18 7 "[ * .* * 1- ** + 2]" 1 187 1 26 LEU QD 1 72 PHE HE2 7.340 . 7.340 5.146 4.695 5.490 . 0 0 "[ . 1 . 2]" 1 188 1 26 LEU MD1 1 84 TRP HD1 6.390 . 6.390 5.846 5.660 6.065 . 0 0 "[ . 1 . 2]" 1 189 1 26 LEU MD1 1 84 TRP HE3 5.250 . 5.250 4.780 4.104 4.946 . 0 0 "[ . 1 . 2]" 1 190 1 26 LEU MD2 1 28 VAL MG2 . . 4.130 3.496 3.353 3.570 . 0 0 "[ . 1 . 2]" 1 191 1 26 LEU HG 1 27 GLN H 3.430 . 3.430 3.276 2.741 3.544 0.114 20 0 "[ . 1 . 2]" 1 192 1 27 GLN H 1 27 GLN HA 2.380 . 2.380 2.392 2.348 2.453 0.073 19 0 "[ . 1 . 2]" 1 193 1 27 GLN H 1 27 GLN HB2 2.650 . 2.650 2.611 2.493 2.884 0.234 19 0 "[ . 1 . 2]" 1 194 1 27 GLN H 1 27 GLN HB3 3.460 . 3.460 3.480 3.326 3.740 0.280 19 0 "[ . 1 . 2]" 1 195 1 27 GLN H 1 27 GLN QE 5.880 . 5.880 4.638 3.089 5.396 . 0 0 "[ . 1 . 2]" 1 196 1 27 GLN H 1 27 GLN QG 5.820 . 5.820 4.065 2.011 4.441 . 0 0 "[ . 1 . 2]" 1 197 1 27 GLN H 1 28 VAL H 3.250 . 3.250 3.280 3.174 3.425 0.175 14 0 "[ . 1 . 2]" 1 198 1 27 GLN HA 1 27 GLN QG 3.670 . 3.670 2.634 2.256 3.149 . 0 0 "[ . 1 . 2]" 1 199 1 27 GLN HA 1 28 VAL H 2.620 . 2.620 2.564 2.284 2.664 0.044 5 0 "[ . 1 . 2]" 1 200 1 27 GLN HB3 1 27 GLN QG 2.660 . 2.660 2.304 2.176 2.457 . 0 0 "[ . 1 . 2]" 1 201 1 27 GLN HB3 1 28 VAL H 4.390 . 4.390 4.392 4.340 4.449 0.059 7 0 "[ . 1 . 2]" 1 202 1 28 VAL H 1 28 VAL HB 2.490 . 2.490 2.521 2.460 2.591 0.101 7 0 "[ . 1 . 2]" 1 203 1 28 VAL H 1 84 TRP HH2 2.230 . 2.230 2.199 2.077 2.319 0.089 3 0 "[ . 1 . 2]" 1 204 1 28 VAL H 1 84 TRP HZ3 3.860 . 3.860 3.763 3.404 3.917 0.057 13 0 "[ . 1 . 2]" 1 205 1 28 VAL HA 1 29 GLY H 2.230 . 2.230 2.120 2.030 2.182 . 0 0 "[ . 1 . 2]" 1 206 1 28 VAL HA 1 30 GLN H 4.470 . 4.470 4.202 3.870 4.586 0.116 12 0 "[ . 1 . 2]" 1 207 1 28 VAL HA 1 84 TRP HH2 4.850 . 4.850 4.815 4.683 4.915 0.065 20 0 "[ . 1 . 2]" 1 208 1 28 VAL HB 1 28 VAL MG1 2.810 . 2.810 2.193 2.164 2.204 . 0 0 "[ . 1 . 2]" 1 209 1 28 VAL HB 1 28 VAL MG2 2.510 . 2.510 2.200 2.192 2.211 . 0 0 "[ . 1 . 2]" 1 210 1 28 VAL MG1 1 29 GLY H . . 3.100 2.838 2.124 2.989 . 0 0 "[ . 1 . 2]" 1 211 1 29 GLY H 1 30 GLN H 3.130 . 3.130 2.916 2.237 3.268 0.138 13 0 "[ . 1 . 2]" 1 212 1 29 GLY H 1 81 VAL H 4.880 . 4.880 5.035 4.899 5.117 0.237 5 0 "[ . 1 . 2]" 1 213 1 29 GLY QA 1 30 GLN H 3.010 . 3.010 2.585 2.433 2.795 . 0 0 "[ . 1 . 2]" 1 214 1 29 GLY QA 1 80 GLN HB2 4.750 . 4.750 3.749 2.490 4.380 . 0 0 "[ . 1 . 2]" 1 215 1 30 GLN H 1 30 GLN HB2 2.950 . 2.950 2.967 2.617 3.144 0.194 19 0 "[ . 1 . 2]" 1 216 1 30 GLN H 1 30 GLN HB3 2.950 . 2.950 2.717 2.467 2.996 0.046 5 0 "[ . 1 . 2]" 1 217 1 30 GLN H 1 31 SER H 2.370 . 2.370 2.417 2.228 2.565 0.195 12 0 "[ . 1 . 2]" 1 218 1 30 GLN H 1 81 VAL H 3.040 . 3.040 3.003 2.657 4.200 1.160 17 1 "[ . 1 . + 2]" 1 219 1 30 GLN HA 1 30 GLN QG 3.870 . 3.870 2.783 2.383 3.251 . 0 0 "[ . 1 . 2]" 1 220 1 30 GLN HA 1 31 SER H 3.620 . 3.620 3.575 2.946 3.638 0.018 1 0 "[ . 1 . 2]" 1 221 1 30 GLN QG 1 80 GLN HA 6.400 . 6.400 5.101 4.206 5.461 . 0 0 "[ . 1 . 2]" 1 222 1 31 SER H 1 32 LYS H 4.490 . 4.490 4.261 3.867 4.451 . 0 0 "[ . 1 . 2]" 1 223 1 31 SER H 1 81 VAL H 3.790 . 3.790 3.803 2.736 3.928 0.138 10 0 "[ . 1 . 2]" 1 224 1 31 SER HA 1 31 SER QB 2.690 . 2.690 2.386 2.184 2.473 . 0 0 "[ . 1 . 2]" 1 225 1 31 SER HA 1 32 LYS H 2.300 . 2.300 2.106 1.983 2.204 . 0 0 "[ . 1 . 2]" 1 226 1 31 SER HA 1 33 GLN H 4.270 . 4.270 4.148 3.752 4.376 0.106 4 0 "[ . 1 . 2]" 1 227 1 31 SER HA 1 34 GLN H 4.720 . 4.720 4.622 4.375 4.908 0.188 3 0 "[ . 1 . 2]" 1 228 1 31 SER HA 1 80 GLN HA 3.560 . 3.560 3.666 2.840 4.007 0.447 5 0 "[ . 1 . 2]" 1 229 1 31 SER QB 1 33 GLN H 5.390 . 5.390 3.711 2.854 4.427 . 0 0 "[ . 1 . 2]" 1 230 1 31 SER QB 1 80 GLN HA 6.050 . 6.050 5.106 4.677 5.492 . 0 0 "[ . 1 . 2]" 1 231 1 32 LYS H 1 32 LYS HA 2.910 . 2.910 2.918 2.780 3.032 0.122 2 0 "[ . 1 . 2]" 1 232 1 32 LYS H 1 33 GLN H 2.930 . 2.930 2.782 2.274 3.087 0.157 12 0 "[ . 1 . 2]" 1 233 1 32 LYS H 1 34 GLN H 4.340 . 4.340 4.244 3.890 4.460 0.120 17 0 "[ . 1 . 2]" 1 234 1 32 LYS HA 1 32 LYS QB 2.610 . 2.610 2.115 2.053 2.171 . 0 0 "[ . 1 . 2]" 1 235 1 32 LYS HA 1 35 VAL H 3.830 . 3.830 3.841 3.668 3.982 0.152 18 0 "[ . 1 . 2]" 1 236 1 32 LYS HA 1 76 PHE HE1 2.790 . 2.790 2.670 2.527 2.821 0.031 18 0 "[ . 1 . 2]" 1 237 1 32 LYS QG 1 33 GLN H 2.880 . 2.880 2.339 2.101 2.663 . 0 0 "[ . 1 . 2]" 1 238 1 32 LYS HG2 1 33 GLN H 3.620 . 3.620 2.795 2.156 3.359 . 0 0 "[ . 1 . 2]" 1 239 1 32 LYS HG3 1 33 GLN H 3.620 . 3.620 2.712 2.123 3.837 0.217 1 0 "[ . 1 . 2]" 1 240 1 33 GLN H 1 33 GLN HB2 3.770 . 3.770 3.293 2.494 3.802 0.032 18 0 "[ . 1 . 2]" 1 241 1 33 GLN H 1 33 GLN QB 3.260 . 3.260 2.531 2.216 2.865 . 0 0 "[ . 1 . 2]" 1 242 1 33 GLN H 1 33 GLN HB3 3.770 . 3.770 2.663 2.396 2.969 . 0 0 "[ . 1 . 2]" 1 243 1 33 GLN H 1 34 GLN H 2.700 . 2.700 2.710 2.613 2.815 0.115 1 0 "[ . 1 . 2]" 1 244 1 33 GLN H 1 35 VAL H 4.560 . 4.560 4.535 4.349 4.677 0.117 17 0 "[ . 1 . 2]" 1 245 1 33 GLN HA 1 33 GLN QB 2.560 . 2.560 2.230 2.113 2.431 . 0 0 "[ . 1 . 2]" 1 246 1 33 GLN HA 1 34 GLN H 3.490 . 3.490 3.492 3.461 3.523 0.033 8 0 "[ . 1 . 2]" 1 247 1 33 GLN HA 1 35 VAL H 4.680 . 4.680 4.691 4.585 4.760 0.080 16 0 "[ . 1 . 2]" 1 248 1 33 GLN HA 1 36 SER H 3.530 . 3.530 3.587 3.400 3.689 0.159 9 0 "[ . 1 . 2]" 1 249 1 33 GLN HA 1 37 ALA H 3.500 . 3.500 3.553 3.437 3.706 0.206 16 0 "[ . 1 . 2]" 1 250 1 33 GLN QB 1 34 GLN HA 5.720 . 5.720 4.658 4.502 4.826 . 0 0 "[ . 1 . 2]" 1 251 1 33 GLN QB 1 36 SER QB 6.550 . 6.550 4.502 4.027 5.143 . 0 0 "[ . 1 . 2]" 1 252 1 33 GLN QG 1 34 GLN H 3.930 . 3.930 3.290 2.534 3.866 . 0 0 "[ . 1 . 2]" 1 253 1 34 GLN H 1 34 GLN HB2 2.570 . 2.570 2.579 2.488 2.611 0.041 7 0 "[ . 1 . 2]" 1 254 1 34 GLN H 1 34 GLN HB3 3.750 . 3.750 3.756 3.731 3.772 0.022 4 0 "[ . 1 . 2]" 1 255 1 34 GLN H 1 34 GLN HG2 3.870 . 3.870 3.072 2.528 3.900 0.030 20 0 "[ . 1 . 2]" 1 256 1 34 GLN H 1 34 GLN QG 3.220 . 3.220 2.652 2.494 2.865 . 0 0 "[ . 1 . 2]" 1 257 1 34 GLN H 1 34 GLN HG3 3.870 . 3.870 3.496 2.624 3.945 0.075 16 0 "[ . 1 . 2]" 1 258 1 34 GLN H 1 35 VAL H 2.680 . 2.680 2.738 2.618 2.860 0.180 8 0 "[ . 1 . 2]" 1 259 1 34 GLN H 1 36 SER H 4.010 . 4.010 4.091 4.020 4.166 0.156 6 0 "[ . 1 . 2]" 1 260 1 34 GLN H 1 37 ALA H 4.660 . 4.660 4.645 4.541 4.706 0.046 6 0 "[ . 1 . 2]" 1 261 1 34 GLN HA 1 34 GLN HB3 2.550 . 2.550 2.550 2.509 2.604 0.054 3 0 "[ . 1 . 2]" 1 262 1 34 GLN HA 1 34 GLN QG 3.610 . 3.610 2.786 2.327 3.064 . 0 0 "[ . 1 . 2]" 1 263 1 34 GLN HA 1 35 VAL H 3.600 . 3.600 3.627 3.602 3.643 0.043 15 0 "[ . 1 . 2]" 1 264 1 34 GLN HA 1 36 SER H 4.670 . 4.670 4.670 4.603 4.713 0.043 20 0 "[ . 1 . 2]" 1 265 1 34 GLN HA 1 37 ALA H 3.770 . 3.770 3.724 3.435 3.833 0.063 20 0 "[ . 1 . 2]" 1 266 1 34 GLN HA 1 37 ALA MB 3.000 . 3.000 2.815 2.524 2.922 . 0 0 "[ . 1 . 2]" 1 267 1 34 GLN HB3 1 35 VAL H 3.490 . 3.490 3.504 3.314 3.609 0.119 16 0 "[ . 1 . 2]" 1 268 1 34 GLN HB3 1 37 ALA MB 5.200 . 5.200 4.851 4.391 4.962 . 0 0 "[ . 1 . 2]" 1 269 1 35 VAL H 1 35 VAL HB 2.590 . 2.590 2.600 2.561 2.640 0.050 14 0 "[ . 1 . 2]" 1 270 1 35 VAL H 1 35 VAL MG1 3.620 . 3.620 2.363 2.321 2.396 . 0 0 "[ . 1 . 2]" 1 271 1 35 VAL H 1 35 VAL MG2 . . 4.550 3.918 3.902 3.932 . 0 0 "[ . 1 . 2]" 1 272 1 35 VAL H 1 36 SER H 2.700 . 2.700 2.722 2.669 2.777 0.077 16 0 "[ . 1 . 2]" 1 273 1 35 VAL HA 1 35 VAL MG2 . . 2.410 2.310 2.298 2.336 . 0 0 "[ . 1 . 2]" 1 274 1 35 VAL HA 1 36 SER H 3.510 . 3.510 3.554 3.535 3.584 0.074 16 0 "[ . 1 . 2]" 1 275 1 35 VAL HA 1 37 ALA H 4.490 . 4.490 4.544 4.331 4.605 0.115 5 0 "[ . 1 . 2]" 1 276 1 35 VAL HA 1 38 LEU H 3.550 . 3.550 3.568 3.299 3.654 0.104 17 0 "[ . 1 . 2]" 1 277 1 35 VAL HA 1 38 LEU HB2 2.780 . 2.780 2.706 2.511 2.822 0.042 17 0 "[ . 1 . 2]" 1 278 1 35 VAL HA 1 38 LEU HB3 4.240 . 4.240 4.138 3.919 4.247 0.007 17 0 "[ . 1 . 2]" 1 279 1 35 VAL HA 1 38 LEU MD1 4.250 . 4.250 3.961 3.622 4.073 . 0 0 "[ . 1 . 2]" 1 280 1 35 VAL HA 1 38 LEU MD2 3.900 . 3.900 3.606 3.302 3.731 . 0 0 "[ . 1 . 2]" 1 281 1 35 VAL HA 1 39 LEU H 3.870 . 3.870 3.829 3.645 3.967 0.097 17 0 "[ . 1 . 2]" 1 282 1 35 VAL HA 1 39 LEU QD 4.490 . 4.490 3.983 3.847 4.067 . 0 0 "[ . 1 . 2]" 1 283 1 35 VAL HB 1 76 PHE HE1 4.830 . 4.830 4.617 4.098 4.975 0.145 5 0 "[ . 1 . 2]" 1 284 1 35 VAL MG1 1 39 LEU QD 5.090 . 5.090 3.236 3.107 3.377 . 0 0 "[ . 1 . 2]" 1 285 1 35 VAL MG1 1 84 TRP HE3 5.690 . 5.690 4.797 4.268 5.249 . 0 0 "[ . 1 . 2]" 1 286 1 35 VAL MG1 1 84 TRP HZ3 5.520 . 5.520 4.868 4.278 5.268 . 0 0 "[ . 1 . 2]" 1 287 1 35 VAL MG2 1 36 SER HA 4.420 . 4.420 4.203 4.096 4.271 . 0 0 "[ . 1 . 2]" 1 288 1 35 VAL MG2 1 39 LEU QD 3.990 . 3.990 2.106 1.987 2.240 . 0 0 "[ . 1 . 2]" 1 289 1 35 VAL MG2 1 53 TRP HZ3 3.650 . 3.650 3.382 3.036 3.613 . 0 0 "[ . 1 . 2]" 1 290 1 35 VAL MG2 1 76 PHE HE1 4.950 . 4.950 4.443 4.276 4.610 . 0 0 "[ . 1 . 2]" 1 291 1 35 VAL MG2 1 81 VAL MG2 5.470 . 5.470 3.421 2.913 3.991 . 0 0 "[ . 1 . 2]" 1 292 1 36 SER H 1 37 ALA H 2.770 . 2.770 2.763 2.680 2.796 0.026 16 0 "[ . 1 . 2]" 1 293 1 36 SER HA 1 37 ALA H 3.510 . 3.510 3.580 3.560 3.598 0.088 1 0 "[ . 1 . 2]" 1 294 1 36 SER HA 1 38 LEU H 4.480 . 4.480 4.540 4.516 4.580 0.100 15 0 "[ . 1 . 2]" 1 295 1 36 SER HA 1 39 LEU H 3.520 . 3.520 3.556 3.451 3.649 0.129 6 0 "[ . 1 . 2]" 1 296 1 36 SER HA 1 39 LEU HB2 2.530 . 2.530 2.589 2.438 2.685 0.155 6 0 "[ . 1 . 2]" 1 297 1 36 SER HA 1 39 LEU HB3 4.070 . 4.070 4.129 3.996 4.213 0.143 6 0 "[ . 1 . 2]" 1 298 1 36 SER HA 1 40 GLY H 3.670 . 3.670 3.701 3.499 3.861 0.191 6 0 "[ . 1 . 2]" 1 299 1 36 SER HA 1 53 TRP HZ2 4.540 . 4.540 4.593 4.356 4.688 0.148 16 0 "[ . 1 . 2]" 1 300 1 36 SER QB 1 37 ALA H 3.850 . 3.850 3.001 2.627 3.600 . 0 0 "[ . 1 . 2]" 1 301 1 36 SER QB 1 53 TRP HH2 5.910 . 5.910 4.007 3.238 4.437 . 0 0 "[ . 1 . 2]" 1 302 1 37 ALA H 1 37 ALA MB 2.530 . 2.530 2.300 2.279 2.328 . 0 0 "[ . 1 . 2]" 1 303 1 37 ALA H 1 38 LEU H 2.720 . 2.720 2.762 2.671 2.818 0.098 14 0 "[ . 1 . 2]" 1 304 1 37 ALA H 1 39 LEU H 4.420 . 4.420 4.372 4.258 4.430 0.010 16 0 "[ . 1 . 2]" 1 305 1 37 ALA HA 1 38 LEU H 3.530 . 3.530 3.581 3.553 3.624 0.094 3 0 "[ . 1 . 2]" 1 306 1 37 ALA HA 1 39 LEU H 4.890 . 4.890 4.749 4.545 4.891 0.001 16 0 "[ . 1 . 2]" 1 307 1 37 ALA HA 1 40 GLY H 3.680 . 3.680 3.518 3.195 3.727 0.047 6 0 "[ . 1 . 2]" 1 308 1 37 ALA HA 1 41 THR H 3.140 . 3.140 3.213 2.941 3.400 0.260 6 0 "[ . 1 . 2]" 1 309 1 37 ALA MB 1 38 LEU H 2.700 . 2.700 2.612 2.561 2.650 . 0 0 "[ . 1 . 2]" 1 310 1 38 LEU H 1 38 LEU HB2 2.340 . 2.340 2.339 2.288 2.365 0.025 3 0 "[ . 1 . 2]" 1 311 1 38 LEU H 1 38 LEU HB3 3.630 . 3.630 3.621 3.575 3.636 0.006 3 0 "[ . 1 . 2]" 1 312 1 38 LEU H 1 38 LEU MD1 2.950 . 2.950 2.642 2.460 2.706 . 0 0 "[ . 1 . 2]" 1 313 1 38 LEU H 1 38 LEU MD2 4.450 . 4.450 4.087 4.011 4.119 . 0 0 "[ . 1 . 2]" 1 314 1 38 LEU H 1 39 LEU H 2.860 . 2.860 2.820 2.762 2.913 0.053 3 0 "[ . 1 . 2]" 1 315 1 38 LEU H 1 40 GLY H 4.040 . 4.040 4.069 4.027 4.134 0.094 6 0 "[ . 1 . 2]" 1 316 1 38 LEU HA 1 38 LEU HB3 2.740 . 2.740 2.731 2.702 2.768 0.028 8 0 "[ . 1 . 2]" 1 317 1 38 LEU HA 1 38 LEU HG 3.960 . 3.960 2.497 2.441 2.561 . 0 0 "[ . 1 . 2]" 1 318 1 38 LEU HA 1 39 LEU H 3.540 . 3.540 3.578 3.554 3.611 0.071 6 0 "[ . 1 . 2]" 1 319 1 38 LEU HA 1 40 GLY H 4.280 . 4.280 4.416 4.366 4.486 0.206 15 0 "[ . 1 . 2]" 1 320 1 38 LEU HB3 1 38 LEU HG 2.440 . 2.440 2.469 2.438 2.500 0.060 3 0 "[ . 1 . 2]" 1 321 1 38 LEU HB3 1 39 LEU H 3.310 . 3.310 3.232 2.953 3.336 0.026 2 0 "[ . 1 . 2]" 1 322 1 39 LEU H 1 39 LEU HB2 2.350 . 2.350 2.359 2.295 2.403 0.053 4 0 "[ . 1 . 2]" 1 323 1 39 LEU H 1 39 LEU HB3 3.590 . 3.590 3.621 3.598 3.639 0.049 3 0 "[ . 1 . 2]" 1 324 1 39 LEU H 1 39 LEU HG 2.520 . 2.520 2.537 2.412 2.658 0.138 1 0 "[ . 1 . 2]" 1 325 1 39 LEU H 1 40 GLY H 2.690 . 2.690 2.702 2.673 2.745 0.055 6 0 "[ . 1 . 2]" 1 326 1 39 LEU HA 1 39 LEU HB3 2.630 . 2.630 2.635 2.599 2.671 0.041 1 0 "[ . 1 . 2]" 1 327 1 39 LEU HA 1 39 LEU QD . . 3.830 2.194 2.076 2.549 . 0 0 "[ . 1 . 2]" 1 328 1 39 LEU HA 1 40 GLY H 3.520 . 3.520 3.499 3.428 3.559 0.039 3 0 "[ . 1 . 2]" 1 329 1 39 LEU HB2 1 39 LEU QD . . 2.450 2.272 2.182 2.316 . 0 0 "[ . 1 . 2]" 1 330 1 39 LEU HB2 1 40 GLY H 2.670 . 2.670 2.795 2.688 2.922 0.252 8 0 "[ . 1 . 2]" 1 331 1 39 LEU HB3 1 40 GLY H 3.510 . 3.510 3.597 3.477 3.714 0.204 8 0 "[ . 1 . 2]" 1 332 1 39 LEU QD 1 53 TRP HH2 2.390 . 2.390 2.169 2.129 2.246 . 0 0 "[ . 1 . 2]" 1 333 1 39 LEU QD 1 88 TYR QE 4.720 . 4.720 2.951 2.098 3.810 . 0 0 "[ . 1 . 2]" 1 334 1 39 LEU QD 1 89 PHE QD 6.350 . 6.350 7.904 6.432 9.740 3.390 2 17 "[ +********* **.****-]" 1 335 1 40 GLY H 1 40 GLY QA 2.600 . 2.600 2.407 2.366 2.453 . 0 0 "[ . 1 . 2]" 1 336 1 40 GLY H 1 41 THR H 2.580 . 2.580 2.570 2.370 2.720 0.140 15 0 "[ . 1 . 2]" 1 337 1 41 THR H 1 41 THR HB 2.980 . 2.980 2.904 2.595 3.010 0.030 13 0 "[ . 1 . 2]" 1 338 1 41 THR H 1 41 THR HG1 3.190 . 3.190 3.226 2.955 3.353 0.163 3 0 "[ . 1 . 2]" 1 339 1 41 THR H 1 41 THR MG 4.770 . 4.770 4.094 3.935 4.156 . 0 0 "[ . 1 . 2]" 1 340 1 41 THR H 1 42 PRO HD2 4.950 . 4.950 4.934 4.885 4.982 0.032 19 0 "[ . 1 . 2]" 1 341 1 41 THR H 1 42 PRO QD 4.690 . 4.690 4.319 4.042 4.427 . 0 0 "[ . 1 . 2]" 1 342 1 41 THR H 1 42 PRO HD3 4.950 . 4.950 4.778 4.311 5.023 0.073 6 0 "[ . 1 . 2]" 1 343 1 41 THR HA 1 41 THR HG1 2.340 . 2.340 2.383 2.268 2.579 0.239 6 0 "[ . 1 . 2]" 1 344 1 41 THR HA 1 42 PRO HD2 2.560 . 2.560 2.283 2.169 2.333 . 0 0 "[ . 1 . 2]" 1 345 1 41 THR HA 1 42 PRO QD 2.220 . 2.220 2.139 2.069 2.169 . 0 0 "[ . 1 . 2]" 1 346 1 41 THR HA 1 42 PRO HD3 2.560 . 2.560 2.584 2.520 2.658 0.098 12 0 "[ . 1 . 2]" 1 347 1 41 THR HB 1 41 THR HG1 2.590 . 2.590 2.546 2.402 2.619 0.029 20 0 "[ . 1 . 2]" 1 348 1 41 THR HB 1 41 THR MG 2.520 . 2.520 2.185 2.162 2.207 . 0 0 "[ . 1 . 2]" 1 349 1 41 THR HB 1 42 PRO QD 5.400 . 5.400 4.096 3.933 4.378 . 0 0 "[ . 1 . 2]" 1 350 1 41 THR MG 1 53 TRP HD1 5.860 . 5.860 4.270 3.769 4.848 . 0 0 "[ . 1 . 2]" 1 351 1 41 THR MG 1 53 TRP HH2 4.700 . 4.700 4.062 3.471 4.437 . 0 0 "[ . 1 . 2]" 1 352 1 42 PRO HA 1 43 SER H 2.360 . 2.360 2.294 2.138 2.470 0.110 7 0 "[ . 1 . 2]" 1 353 1 42 PRO HG2 1 43 SER H 4.810 . 4.810 4.699 4.336 4.917 0.107 16 0 "[ . 1 . 2]" 1 354 1 43 SER H 1 43 SER HA 2.900 . 2.900 2.984 2.842 3.048 0.148 18 0 "[ . 1 . 2]" 1 355 1 43 SER H 1 43 SER HB2 3.700 . 3.700 3.350 2.383 3.793 0.093 12 0 "[ . 1 . 2]" 1 356 1 43 SER H 1 43 SER QB 3.080 . 3.080 2.584 2.353 2.822 . 0 0 "[ . 1 . 2]" 1 357 1 43 SER H 1 43 SER HB3 3.700 . 3.700 2.952 2.498 3.704 0.004 19 0 "[ . 1 . 2]" 1 358 1 43 SER H 1 44 ILE H 4.050 . 4.050 4.199 3.357 4.481 0.431 14 0 "[ . 1 . 2]" 1 359 1 43 SER HA 1 43 SER QB 2.650 . 2.650 2.259 2.132 2.480 . 0 0 "[ . 1 . 2]" 1 360 1 43 SER HA 1 44 ILE H 3.500 . 3.500 2.801 2.115 3.561 0.061 2 0 "[ . 1 . 2]" 1 361 1 43 SER QB 1 44 ILE H 3.380 . 3.380 2.169 1.769 2.967 0.131 3 0 "[ . 1 . 2]" 1 362 1 44 ILE H 1 44 ILE QG 4.000 . 4.000 3.075 2.434 3.492 . 0 0 "[ . 1 . 2]" 1 363 1 44 ILE H 1 44 ILE MG 4.980 . 4.980 3.991 3.178 4.133 . 0 0 "[ . 1 . 2]" 1 364 1 44 ILE H 1 45 PRO HD2 4.530 . 4.530 4.556 4.366 4.596 0.066 17 0 "[ . 1 . 2]" 1 365 1 44 ILE H 1 45 PRO QD 3.920 . 3.920 3.440 3.132 3.625 . 0 0 "[ . 1 . 2]" 1 366 1 44 ILE H 1 45 PRO HD3 4.530 . 4.530 3.562 3.209 3.801 . 0 0 "[ . 1 . 2]" 1 367 1 44 ILE HA 1 44 ILE MD 4.880 . 4.880 3.989 3.911 4.197 . 0 0 "[ . 1 . 2]" 1 368 1 44 ILE HA 1 44 ILE QG 3.690 . 3.690 2.585 2.390 3.428 . 0 0 "[ . 1 . 2]" 1 369 1 44 ILE HA 1 44 ILE MG 2.530 . 2.530 2.426 2.251 2.500 . 0 0 "[ . 1 . 2]" 1 370 1 44 ILE HA 1 45 PRO HD2 2.620 . 2.620 2.298 2.190 2.426 . 0 0 "[ . 1 . 2]" 1 371 1 44 ILE HA 1 45 PRO QD 2.340 . 2.340 2.168 2.088 2.225 . 0 0 "[ . 1 . 2]" 1 372 1 44 ILE HA 1 45 PRO HD3 2.620 . 2.620 2.668 2.570 2.772 0.152 11 0 "[ . 1 . 2]" 1 373 1 44 ILE HA 1 46 ASP H 4.680 . 4.680 4.579 4.009 4.736 0.056 2 0 "[ . 1 . 2]" 1 374 1 44 ILE HB 1 44 ILE MD 2.520 . 2.520 2.395 2.279 2.462 . 0 0 "[ . 1 . 2]" 1 375 1 44 ILE HB 1 44 ILE QG 2.670 . 2.670 2.467 2.430 2.529 . 0 0 "[ . 1 . 2]" 1 376 1 44 ILE MD 1 44 ILE MG 3.510 . 3.510 2.129 2.092 2.208 . 0 0 "[ . 1 . 2]" 1 377 1 44 ILE MD 1 53 TRP HA . . 3.400 2.534 2.157 3.143 . 0 0 "[ . 1 . 2]" 1 378 1 44 ILE QG 1 44 ILE MG 3.390 . 3.390 2.338 2.267 2.398 . 0 0 "[ . 1 . 2]" 1 379 1 45 PRO HA 1 46 ASP H 2.400 . 2.400 2.460 2.379 2.626 0.226 5 0 "[ . 1 . 2]" 1 380 1 46 ASP H 1 46 ASP QB 3.700 . 3.700 2.586 2.303 2.944 . 0 0 "[ . 1 . 2]" 1 381 1 46 ASP H 1 47 PRO HD2 4.930 . 4.930 4.973 4.934 5.040 0.110 16 0 "[ . 1 . 2]" 1 382 1 46 ASP H 1 47 PRO QD 4.610 . 4.610 4.284 4.051 4.427 . 0 0 "[ . 1 . 2]" 1 383 1 46 ASP H 1 47 PRO HD3 4.930 . 4.930 4.682 4.297 4.938 0.008 4 0 "[ . 1 . 2]" 1 384 1 46 ASP HA 1 47 PRO HD2 2.580 . 2.580 2.175 2.122 2.255 . 0 0 "[ . 1 . 2]" 1 385 1 46 ASP HA 1 47 PRO QD 2.230 . 2.230 2.059 2.030 2.115 . 0 0 "[ . 1 . 2]" 1 386 1 46 ASP HA 1 47 PRO HD3 2.580 . 2.580 2.554 2.343 2.625 0.045 15 0 "[ . 1 . 2]" 1 387 1 46 ASP HA 1 48 PHE H 3.600 . 3.600 3.736 3.586 3.944 0.344 19 0 "[ . 1 . 2]" 1 388 1 47 PRO HA 1 50 ALA H 4.860 . 4.860 4.916 4.595 5.192 0.332 16 0 "[ . 1 . 2]" 1 389 1 47 PRO HG2 1 48 PHE H 3.140 . 3.140 3.116 2.939 3.179 0.039 6 0 "[ . 1 . 2]" 1 390 1 47 PRO HG3 1 48 PHE H 4.530 . 4.530 4.536 4.382 4.603 0.073 6 0 "[ . 1 . 2]" 1 391 1 48 PHE H 1 48 PHE HB2 2.630 . 2.630 2.626 2.462 2.780 0.150 19 0 "[ . 1 . 2]" 1 392 1 48 PHE H 1 48 PHE HB3 2.550 . 2.550 2.608 2.519 2.742 0.192 3 0 "[ . 1 . 2]" 1 393 1 48 PHE H 1 49 HIS H 2.890 . 2.890 2.800 2.497 3.002 0.112 6 0 "[ . 1 . 2]" 1 394 1 48 PHE HA 1 48 PHE HD1 2.880 . 2.880 2.940 2.832 3.079 0.199 3 0 "[ . 1 . 2]" 1 395 1 48 PHE HA 1 48 PHE HD2 4.220 . 4.220 4.153 3.985 4.251 0.031 1 0 "[ . 1 . 2]" 1 396 1 48 PHE HA 1 49 HIS H 3.630 . 3.630 3.627 3.566 3.667 0.037 8 0 "[ . 1 . 2]" 1 397 1 48 PHE HB3 1 49 HIS H 2.420 . 2.420 2.299 2.159 2.403 . 0 0 "[ . 1 . 2]" 1 398 1 49 HIS H 1 49 HIS HB2 3.520 . 3.520 3.481 3.343 3.569 0.049 6 0 "[ . 1 . 2]" 1 399 1 49 HIS H 1 49 HIS QB 3.250 . 3.250 2.951 2.624 3.093 . 0 0 "[ . 1 . 2]" 1 400 1 49 HIS H 1 49 HIS HB3 3.520 . 3.520 3.195 2.726 3.467 . 0 0 "[ . 1 . 2]" 1 401 1 49 HIS H 1 50 ALA H 3.720 . 3.720 3.275 2.777 3.740 0.020 19 0 "[ . 1 . 2]" 1 402 1 49 HIS HA 1 49 HIS HD2 4.400 . 4.400 3.973 2.505 4.740 0.340 15 0 "[ . 1 . 2]" 1 403 1 49 HIS HA 1 50 ALA H 2.280 . 2.280 2.297 2.172 2.400 0.120 4 0 "[ . 1 . 2]" 1 404 1 49 HIS QB 1 50 ALA H 5.380 . 5.380 4.065 4.010 4.103 . 0 0 "[ . 1 . 2]" 1 405 1 49 HIS HD2 1 51 GLN QE 4.410 . 4.410 3.476 2.450 4.028 . 0 0 "[ . 1 . 2]" 1 406 1 50 ALA H 1 50 ALA MB 3.380 . 3.380 2.203 2.110 2.296 . 0 0 "[ . 1 . 2]" 1 407 1 50 ALA H 1 51 GLN H 4.320 . 4.320 4.232 4.027 4.391 0.071 11 0 "[ . 1 . 2]" 1 408 1 50 ALA HA 1 50 ALA MB 2.400 . 2.400 2.142 2.122 2.161 . 0 0 "[ . 1 . 2]" 1 409 1 50 ALA HA 1 51 GLN H 2.260 . 2.260 2.149 2.013 2.296 0.036 10 0 "[ . 1 . 2]" 1 410 1 50 ALA MB 1 51 GLN H 4.100 . 4.100 3.525 3.307 3.671 . 0 0 "[ . 1 . 2]" 1 411 1 51 GLN H 1 51 GLN HB2 2.400 . 2.400 2.412 2.271 2.556 0.156 14 0 "[ . 1 . 2]" 1 412 1 51 GLN H 1 51 GLN HB3 3.630 . 3.630 3.630 3.553 3.764 0.134 14 0 "[ . 1 . 2]" 1 413 1 51 GLN H 1 51 GLN QG 4.630 . 4.630 2.567 2.254 3.283 . 0 0 "[ . 1 . 2]" 1 414 1 51 GLN HA 1 51 GLN HB3 2.590 . 2.590 2.615 2.476 2.690 0.100 11 0 "[ . 1 . 2]" 1 415 1 51 GLN HA 1 52 ARG H 2.680 . 2.680 2.719 2.475 3.035 0.355 14 0 "[ . 1 . 2]" 1 416 1 51 GLN HB2 1 52 ARG H 3.100 . 3.100 3.094 2.425 3.393 0.293 19 0 "[ . 1 . 2]" 1 417 1 51 GLN QG 1 52 ARG H 4.180 . 4.180 3.612 3.292 3.897 . 0 0 "[ . 1 . 2]" 1 418 1 51 GLN HG2 1 52 ARG H 4.630 . 4.630 3.800 3.413 4.281 . 0 0 "[ . 1 . 2]" 1 419 1 51 GLN HG3 1 52 ARG H 4.630 . 4.630 4.538 4.321 4.645 0.015 13 0 "[ . 1 . 2]" 1 420 1 52 ARG H 1 52 ARG HA 2.780 . 2.780 2.814 2.720 2.919 0.139 9 0 "[ . 1 . 2]" 1 421 1 52 ARG H 1 52 ARG QB . . 2.330 2.316 2.233 2.388 0.058 19 0 "[ . 1 . 2]" 1 422 1 52 ARG H 1 52 ARG HG2 4.060 . 4.060 3.839 2.792 4.106 0.046 13 0 "[ . 1 . 2]" 1 423 1 52 ARG H 1 52 ARG QG 3.910 . 3.910 3.469 2.743 3.645 . 0 0 "[ . 1 . 2]" 1 424 1 52 ARG H 1 52 ARG HG3 4.060 . 4.060 4.046 3.989 4.111 0.051 10 0 "[ . 1 . 2]" 1 425 1 52 ARG H 1 53 TRP H 4.680 . 4.680 4.662 4.632 4.696 0.016 8 0 "[ . 1 . 2]" 1 426 1 52 ARG H 1 75 PHE QD 4.690 . 4.690 4.443 3.987 4.708 0.018 11 0 "[ . 1 . 2]" 1 427 1 52 ARG HA 1 52 ARG QB 2.520 . 2.520 2.144 2.114 2.186 . 0 0 "[ . 1 . 2]" 1 428 1 52 ARG HA 1 53 TRP H 2.310 . 2.310 2.223 2.162 2.313 0.003 9 0 "[ . 1 . 2]" 1 429 1 52 ARG HA 1 74 VAL H 5.080 . 5.080 5.059 4.934 5.164 0.084 7 0 "[ . 1 . 2]" 1 430 1 52 ARG HA 1 75 PHE HA 2.670 . 2.670 2.620 2.422 2.753 0.083 12 0 "[ . 1 . 2]" 1 431 1 52 ARG HA 1 76 PHE H 2.590 . 2.590 2.465 2.115 2.628 0.038 8 0 "[ . 1 . 2]" 1 432 1 52 ARG HA 1 76 PHE HA 4.850 . 4.850 4.997 4.763 5.212 0.362 19 0 "[ . 1 . 2]" 1 433 1 52 ARG QB 1 52 ARG QG 2.650 . 2.650 1.980 1.933 2.119 . 0 0 "[ . 1 . 2]" 1 434 1 52 ARG QB 1 53 TRP H 3.950 . 3.950 2.667 2.472 2.844 . 0 0 "[ . 1 . 2]" 1 435 1 52 ARG QB 1 73 THR MG 4.560 . 4.560 3.593 3.044 3.973 . 0 0 "[ . 1 . 2]" 1 436 1 52 ARG QB 1 75 PHE HA 2.250 . 2.250 2.045 1.957 2.134 . 0 0 "[ . 1 . 2]" 1 437 1 52 ARG QB 1 75 PHE QD 2.710 . 2.710 2.529 2.423 2.647 . 0 0 "[ . 1 . 2]" 1 438 1 52 ARG QB 1 75 PHE QE . . 4.240 3.467 3.208 3.632 . 0 0 "[ . 1 . 2]" 1 439 1 52 ARG HE 1 52 ARG QG 3.590 . 3.590 2.549 2.115 3.318 . 0 0 "[ . 1 . 2]" 1 440 1 52 ARG QG 1 53 TRP H 4.060 . 4.060 3.459 3.306 3.549 . 0 0 "[ . 1 . 2]" 1 441 1 52 ARG HG2 1 53 TRP H 4.610 . 4.610 3.686 3.496 4.325 . 0 0 "[ . 1 . 2]" 1 442 1 52 ARG HG2 1 73 THR MG 4.500 . 4.500 3.602 2.621 4.389 . 0 0 "[ . 1 . 2]" 1 443 1 52 ARG HG3 1 53 TRP H 4.610 . 4.610 4.453 3.431 4.723 0.113 11 0 "[ . 1 . 2]" 1 444 1 52 ARG HG3 1 73 THR MG 4.500 . 4.500 3.349 2.517 4.123 . 0 0 "[ . 1 . 2]" 1 445 1 53 TRP H 1 53 TRP HB2 3.300 . 3.300 3.231 3.113 3.309 0.009 12 0 "[ . 1 . 2]" 1 446 1 53 TRP H 1 53 TRP QB 2.680 . 2.680 2.338 2.215 2.437 . 0 0 "[ . 1 . 2]" 1 447 1 53 TRP H 1 53 TRP HB3 3.300 . 3.300 2.400 2.265 2.510 . 0 0 "[ . 1 . 2]" 1 448 1 53 TRP H 1 73 THR HA 4.690 . 4.690 4.786 4.680 4.908 0.218 14 0 "[ . 1 . 2]" 1 449 1 53 TRP H 1 74 VAL H 3.230 . 3.230 3.238 3.067 3.323 0.093 15 0 "[ . 1 . 2]" 1 450 1 53 TRP H 1 74 VAL HB 5.360 . 5.360 5.339 5.216 5.445 0.085 16 0 "[ . 1 . 2]" 1 451 1 53 TRP H 1 75 PHE HA 3.730 . 3.730 3.707 3.575 3.822 0.092 19 0 "[ . 1 . 2]" 1 452 1 53 TRP H 1 75 PHE QD 6.000 . 6.000 5.515 5.332 5.614 . 0 0 "[ . 1 . 2]" 1 453 1 53 TRP HA 1 54 ASP H 2.290 . 2.290 2.219 2.098 2.374 0.084 7 0 "[ . 1 . 2]" 1 454 1 53 TRP QB 1 74 VAL H 5.690 . 5.690 3.394 2.957 3.645 . 0 0 "[ . 1 . 2]" 1 455 1 53 TRP HE3 1 74 VAL MG2 4.550 . 4.550 4.096 3.966 4.256 . 0 0 "[ . 1 . 2]" 1 456 1 53 TRP HH2 1 72 PHE HE2 4.270 . 4.270 4.078 3.424 4.477 0.207 5 0 "[ . 1 . 2]" 1 457 1 54 ASP H 1 54 ASP HB2 3.690 . 3.690 3.026 2.296 3.722 0.032 4 0 "[ . 1 . 2]" 1 458 1 54 ASP H 1 54 ASP QB 3.040 . 3.040 2.525 2.185 2.934 . 0 0 "[ . 1 . 2]" 1 459 1 54 ASP H 1 54 ASP HB3 3.690 . 3.690 2.838 2.406 3.723 0.033 16 0 "[ . 1 . 2]" 1 460 1 54 ASP H 1 55 TYR H 3.500 . 3.500 3.378 2.860 3.600 0.100 6 0 "[ . 1 . 2]" 1 461 1 54 ASP HA 1 55 TYR H 2.770 . 2.770 2.652 2.402 3.121 0.351 14 0 "[ . 1 . 2]" 1 462 1 54 ASP HA 1 73 THR HA 2.760 . 2.760 2.286 2.035 2.927 0.167 16 0 "[ . 1 . 2]" 1 463 1 54 ASP HA 1 73 THR HG1 3.780 . 3.780 2.665 2.335 3.664 . 0 0 "[ . 1 . 2]" 1 464 1 54 ASP HA 1 73 THR MG . . 2.510 2.534 2.099 2.756 0.246 15 0 "[ . 1 . 2]" 1 465 1 54 ASP HA 1 74 VAL H 4.140 . 4.140 3.644 3.041 4.217 0.077 7 0 "[ . 1 . 2]" 1 466 1 55 TYR H 1 55 TYR HB2 3.780 . 3.780 2.862 2.343 3.859 0.079 16 0 "[ . 1 . 2]" 1 467 1 55 TYR H 1 55 TYR QB 3.130 . 3.130 2.685 2.315 3.087 . 0 0 "[ . 1 . 2]" 1 468 1 55 TYR H 1 55 TYR HB3 3.780 . 3.780 3.700 2.764 3.896 0.116 7 0 "[ . 1 . 2]" 1 469 1 55 TYR H 1 55 TYR QE 5.010 . 5.010 4.759 4.285 5.010 . 0 0 "[ . 1 . 2]" 1 470 1 55 TYR H 1 56 THR H 4.500 . 4.500 4.422 3.958 4.648 0.148 14 0 "[ . 1 . 2]" 1 471 1 55 TYR H 1 73 THR HA 3.810 . 3.810 3.783 3.173 4.010 0.200 8 0 "[ . 1 . 2]" 1 472 1 55 TYR HA 1 56 THR H 2.260 . 2.260 2.143 2.012 2.319 0.059 19 0 "[ . 1 . 2]" 1 473 1 56 THR H 1 56 THR HB 2.620 . 2.620 2.621 2.491 2.726 0.106 13 0 "[ . 1 . 2]" 1 474 1 56 THR H 1 57 SER H 4.250 . 4.250 4.172 3.673 4.517 0.267 13 0 "[ . 1 . 2]" 1 475 1 56 THR HA 1 56 THR HG1 2.710 . 2.710 2.680 2.346 3.145 0.435 19 0 "[ . 1 . 2]" 1 476 1 56 THR HA 1 56 THR MG 3.160 . 3.160 2.457 2.376 2.567 . 0 0 "[ . 1 . 2]" 1 477 1 56 THR HA 1 57 SER H 2.310 . 2.310 2.199 2.102 2.298 . 0 0 "[ . 1 . 2]" 1 478 1 56 THR HA 1 71 ASN HA 2.280 . 2.280 2.249 2.123 2.367 0.087 1 0 "[ . 1 . 2]" 1 479 1 56 THR HG1 1 71 ASN HA 4.410 . 4.410 3.756 3.040 4.463 0.053 3 0 "[ . 1 . 2]" 1 480 1 56 THR MG 1 69 ILE MG 6.390 . 6.390 3.538 2.220 5.138 . 0 0 "[ . 1 . 2]" 1 481 1 56 THR MG 1 71 ASN HA . . 4.070 3.501 2.270 3.853 . 0 0 "[ . 1 . 2]" 1 482 1 57 SER H 1 57 SER HB2 3.700 . 3.700 3.447 2.440 3.900 0.200 19 0 "[ . 1 . 2]" 1 483 1 57 SER H 1 57 SER QB 3.020 . 3.020 2.679 2.408 2.998 . 0 0 "[ . 1 . 2]" 1 484 1 57 SER H 1 57 SER HB3 3.700 . 3.700 3.046 2.495 3.850 0.150 2 0 "[ . 1 . 2]" 1 485 1 57 SER H 1 58 THR H 4.610 . 4.610 4.531 3.896 4.716 0.106 15 0 "[ . 1 . 2]" 1 486 1 57 SER H 1 71 ASN H 4.470 . 4.470 4.678 4.373 4.987 0.517 10 3 "[ . *+ .- 2]" 1 487 1 57 SER H 1 71 ASN HA 2.750 . 2.750 3.085 2.762 3.474 0.724 12 8 "[** * - 1*+* . *2]" 1 488 1 57 SER HA 1 57 SER QB 2.680 . 2.680 2.236 2.090 2.471 . 0 0 "[ . 1 . 2]" 1 489 1 57 SER HA 1 58 THR H 2.290 . 2.290 2.255 1.996 2.750 0.460 19 0 "[ . 1 . 2]" 1 490 1 57 SER HA 1 58 THR HB 4.680 . 4.680 4.552 3.955 4.851 0.171 18 0 "[ . 1 . 2]" 1 491 1 57 SER QB 1 58 THR H 3.500 . 3.500 2.812 2.063 3.552 0.052 12 0 "[ . 1 . 2]" 1 492 1 57 SER HB2 1 58 THR H 4.120 . 4.120 3.156 2.077 4.168 0.048 2 0 "[ . 1 . 2]" 1 493 1 57 SER HB3 1 58 THR H 4.120 . 4.120 3.730 2.355 4.334 0.214 12 0 "[ . 1 . 2]" 1 494 1 58 THR H 1 58 THR MG 3.730 . 3.730 2.764 2.170 3.096 . 0 0 "[ . 1 . 2]" 1 495 1 58 THR H 1 59 GLN H 4.270 . 4.270 4.351 4.207 4.433 0.163 5 0 "[ . 1 . 2]" 1 496 1 58 THR HA 1 58 THR HB 2.420 . 2.420 2.416 2.314 2.484 0.064 17 0 "[ . 1 . 2]" 1 497 1 58 THR HA 1 58 THR MG . . 3.910 3.324 3.308 3.340 . 0 0 "[ . 1 . 2]" 1 498 1 58 THR HA 1 59 GLN H 2.230 . 2.230 2.193 1.998 2.549 0.319 13 0 "[ . 1 . 2]" 1 499 1 58 THR HB 1 59 GLN H 3.990 . 3.990 3.823 3.386 4.171 0.181 18 0 "[ . 1 . 2]" 1 500 1 58 THR HB 1 69 ILE QG . . 3.870 3.763 2.517 5.365 1.495 5 5 "[ + 1 *- . * *2]" 1 501 1 58 THR HB 1 69 ILE MG . . 2.820 3.322 2.414 4.398 1.578 10 8 "[ . * *+* *** -2]" 1 502 1 58 THR HG1 1 59 GLN H 2.310 . 2.310 2.400 2.215 2.594 0.284 12 0 "[ . 1 . 2]" 1 503 1 58 THR MG 1 59 GLN H 4.950 . 4.950 3.615 2.791 4.023 . 0 0 "[ . 1 . 2]" 1 504 1 59 GLN H 1 60 ARG H 4.480 . 4.480 4.143 2.540 4.616 0.136 13 0 "[ . 1 . 2]" 1 505 1 59 GLN H 1 68 GLU H 3.060 . 3.060 3.598 2.546 4.075 1.015 5 12 "[ ***+*- *1 ***. **]" 1 506 1 59 GLN HA 1 59 GLN QB 2.620 . 2.620 2.378 2.096 2.597 . 0 0 "[ . 1 . 2]" 1 507 1 59 GLN HA 1 60 ARG H 2.480 . 2.480 2.299 2.046 3.072 0.592 14 1 "[ . 1 +. 2]" 1 508 1 59 GLN HA 1 60 ARG QB 5.510 . 5.510 4.383 3.952 4.999 . 0 0 "[ . 1 . 2]" 1 509 1 60 ARG H 1 60 ARG HB2 3.920 . 3.920 3.045 2.384 3.956 0.036 2 0 "[ . 1 . 2]" 1 510 1 60 ARG H 1 60 ARG QB 3.310 . 3.310 2.652 2.167 3.127 . 0 0 "[ . 1 . 2]" 1 511 1 60 ARG H 1 60 ARG HB3 3.920 . 3.920 3.280 2.254 3.988 0.068 7 0 "[ . 1 . 2]" 1 512 1 60 ARG H 1 61 VAL H 4.490 . 4.490 3.787 3.044 4.649 0.159 17 0 "[ . 1 . 2]" 1 513 1 60 ARG HA 1 60 ARG QB 2.680 . 2.680 2.349 2.043 2.517 . 0 0 "[ . 1 . 2]" 1 514 1 60 ARG HA 1 61 VAL H 2.450 . 2.450 2.343 2.125 2.620 0.170 14 0 "[ . 1 . 2]" 1 515 1 60 ARG HA 1 62 ASP H 4.470 . 4.470 4.033 3.044 4.611 0.141 10 0 "[ . 1 . 2]" 1 516 1 60 ARG HA 1 67 THR MG 4.880 . 4.880 3.836 2.241 4.935 0.055 7 0 "[ . 1 . 2]" 1 517 1 60 ARG QG 1 61 VAL H 5.650 . 5.650 4.170 2.470 4.889 . 0 0 "[ . 1 . 2]" 1 518 1 61 VAL H 1 61 VAL HA 2.830 . 2.830 2.940 2.835 3.007 0.177 16 0 "[ . 1 . 2]" 1 519 1 61 VAL H 1 61 VAL HB 2.550 . 2.550 2.574 2.419 2.782 0.232 16 0 "[ . 1 . 2]" 1 520 1 61 VAL H 1 61 VAL MG1 2.520 . 2.520 2.296 2.115 2.459 . 0 0 "[ . 1 . 2]" 1 521 1 61 VAL H 1 61 VAL MG2 4.390 . 4.390 3.876 3.839 3.930 . 0 0 "[ . 1 . 2]" 1 522 1 61 VAL H 1 62 ASP H 2.980 . 2.980 2.957 2.600 3.542 0.562 11 1 "[ . 1+ . 2]" 1 523 1 61 VAL H 1 67 THR HA 5.250 . 5.250 4.469 2.712 5.406 0.156 14 0 "[ . 1 . 2]" 1 524 1 61 VAL HA 1 61 VAL HB 2.500 . 2.500 2.451 2.392 2.491 . 0 0 "[ . 1 . 2]" 1 525 1 61 VAL HA 1 61 VAL MG2 2.500 . 2.500 2.294 2.256 2.337 . 0 0 "[ . 1 . 2]" 1 526 1 61 VAL HA 1 62 ASP H 3.490 . 3.490 3.296 2.181 3.607 0.117 19 0 "[ . 1 . 2]" 1 527 1 61 VAL HB 1 61 VAL MG1 2.540 . 2.540 2.172 2.156 2.184 . 0 0 "[ . 1 . 2]" 1 528 1 61 VAL HB 1 61 VAL MG2 2.470 . 2.470 2.152 2.137 2.159 . 0 0 "[ . 1 . 2]" 1 529 1 62 ASP H 1 62 ASP HB2 2.930 . 2.930 2.620 2.159 2.998 0.068 5 0 "[ . 1 . 2]" 1 530 1 62 ASP H 1 62 ASP QB 2.650 . 2.650 2.314 2.042 2.644 . 0 0 "[ . 1 . 2]" 1 531 1 62 ASP H 1 62 ASP HB3 2.930 . 2.930 2.630 2.444 2.947 0.017 10 0 "[ . 1 . 2]" 1 532 1 62 ASP H 1 63 ARG H 4.500 . 4.500 4.288 2.668 4.585 0.085 2 0 "[ . 1 . 2]" 1 533 1 62 ASP HA 1 63 ARG H 2.610 . 2.610 2.461 2.059 2.978 0.368 14 0 "[ . 1 . 2]" 1 534 1 62 ASP QB 1 63 ARG H 4.390 . 4.390 3.180 2.635 4.039 . 0 0 "[ . 1 . 2]" 1 535 1 62 ASP HB2 1 63 ARG H 4.640 . 4.640 3.871 3.593 4.582 . 0 0 "[ . 1 . 2]" 1 536 1 62 ASP HB3 1 63 ARG H 4.640 . 4.640 3.401 2.702 4.504 . 0 0 "[ . 1 . 2]" 1 537 1 63 ARG H 1 64 LEU H 4.070 . 4.070 2.746 1.875 3.977 0.025 1 0 "[ . 1 . 2]" 1 538 1 63 ARG HA 1 63 ARG QB 2.610 . 2.610 2.280 2.079 2.489 . 0 0 "[ . 1 . 2]" 1 539 1 63 ARG HA 1 63 ARG QG 3.960 . 3.960 3.094 2.423 3.587 . 0 0 "[ . 1 . 2]" 1 540 1 63 ARG HA 1 64 LEU H 3.580 . 3.580 3.226 2.177 3.626 0.046 12 0 "[ . 1 . 2]" 1 541 1 64 LEU H 1 64 LEU HA 2.930 . 2.930 2.986 2.819 3.058 0.128 9 0 "[ . 1 . 2]" 1 542 1 64 LEU H 1 64 LEU MD1 5.180 . 5.180 3.882 1.982 4.552 . 0 0 "[ . 1 . 2]" 1 543 1 64 LEU H 1 64 LEU MD2 3.890 . 3.890 3.062 1.978 3.853 . 0 0 "[ . 1 . 2]" 1 544 1 64 LEU H 1 64 LEU HG 4.260 . 4.260 3.526 2.334 4.506 0.246 6 0 "[ . 1 . 2]" 1 545 1 64 LEU H 1 65 ALA H 4.470 . 4.470 3.256 1.972 4.598 0.128 16 0 "[ . 1 . 2]" 1 546 1 64 LEU HA 1 65 ALA H 3.580 . 3.580 3.228 2.078 3.626 0.046 20 0 "[ . 1 . 2]" 1 547 1 64 LEU QB 1 64 LEU MD1 3.760 . 3.760 2.255 2.104 2.494 . 0 0 "[ . 1 . 2]" 1 548 1 64 LEU QB 1 65 ALA H 4.710 . 4.710 2.822 2.040 3.941 . 0 0 "[ . 1 . 2]" 1 549 1 64 LEU MD1 1 65 ALA H 5.040 . 5.040 3.699 2.767 4.658 . 0 0 "[ . 1 . 2]" 1 550 1 65 ALA H 1 65 ALA MB . . 3.190 2.453 2.249 2.912 . 0 0 "[ . 1 . 2]" 1 551 1 65 ALA HA 1 65 ALA MB 2.450 . 2.450 2.163 2.129 2.194 . 0 0 "[ . 1 . 2]" 1 552 1 65 ALA HA 1 66 ARG H 3.520 . 3.520 2.679 2.144 3.616 0.096 1 0 "[ . 1 . 2]" 1 553 1 65 ALA MB 1 66 ARG H 4.350 . 4.350 3.193 2.372 3.767 . 0 0 "[ . 1 . 2]" 1 554 1 66 ARG H 1 67 THR H 3.010 . 3.010 3.123 2.780 3.361 0.351 20 0 "[ . 1 . 2]" 1 555 1 66 ARG HA 1 66 ARG QG 3.400 . 3.400 2.568 2.222 3.078 . 0 0 "[ . 1 . 2]" 1 556 1 66 ARG HA 1 67 THR H 3.530 . 3.530 2.647 2.197 3.573 0.043 11 0 "[ . 1 . 2]" 1 557 1 67 THR H 1 67 THR HB 3.670 . 3.670 3.437 2.555 4.004 0.334 6 0 "[ . 1 . 2]" 1 558 1 67 THR H 1 68 GLU H 4.580 . 4.580 4.302 3.859 4.638 0.058 17 0 "[ . 1 . 2]" 1 559 1 67 THR HA 1 67 THR MG 3.800 . 3.800 2.471 2.265 3.309 . 0 0 "[ . 1 . 2]" 1 560 1 67 THR HA 1 68 GLU H 2.230 . 2.230 2.183 2.087 2.295 0.065 1 0 "[ . 1 . 2]" 1 561 1 67 THR HB 1 68 GLU H 4.470 . 4.470 3.880 2.391 4.494 0.024 18 0 "[ . 1 . 2]" 1 562 1 68 GLU H 1 68 GLU HB2 3.370 . 3.370 2.786 2.217 3.419 0.049 19 0 "[ . 1 . 2]" 1 563 1 68 GLU H 1 68 GLU QB 3.120 . 3.120 2.443 2.166 2.809 . 0 0 "[ . 1 . 2]" 1 564 1 68 GLU H 1 68 GLU HB3 3.370 . 3.370 2.924 2.429 3.633 0.263 17 0 "[ . 1 . 2]" 1 565 1 68 GLU H 1 69 ILE H 4.300 . 4.300 4.175 3.512 4.473 0.173 16 0 "[ . 1 . 2]" 1 566 1 68 GLU HA 1 68 GLU QG 3.480 . 3.480 2.648 2.257 3.315 . 0 0 "[ . 1 . 2]" 1 567 1 68 GLU HA 1 69 ILE H 2.270 . 2.270 2.183 2.056 2.454 0.184 13 0 "[ . 1 . 2]" 1 568 1 69 ILE H 1 69 ILE HB 2.920 . 2.920 2.898 2.504 3.837 0.917 12 2 "[ . 1 + . -2]" 1 569 1 69 ILE H 1 69 ILE MD 4.110 . 4.110 2.558 1.844 4.511 0.401 19 0 "[ . 1 . 2]" 1 570 1 69 ILE H 1 69 ILE QG 4.060 . 4.060 3.470 2.644 4.581 0.521 19 2 "[ . 1 - . +2]" 1 571 1 69 ILE H 1 69 ILE MG 4.690 . 4.690 3.793 2.351 4.143 . 0 0 "[ . 1 . 2]" 1 572 1 69 ILE HA 1 69 ILE QG . . 2.810 2.656 2.432 3.079 0.269 12 0 "[ . 1 . 2]" 1 573 1 69 ILE HA 1 69 ILE MG 3.710 . 3.710 2.543 2.256 3.323 . 0 0 "[ . 1 . 2]" 1 574 1 69 ILE HA 1 70 LYS H 2.250 . 2.250 2.153 1.999 2.232 . 0 0 "[ . 1 . 2]" 1 575 1 69 ILE HB 1 69 ILE MD 3.680 . 3.680 2.390 2.250 2.481 . 0 0 "[ . 1 . 2]" 1 576 1 69 ILE HB 1 69 ILE MG 2.490 . 2.490 2.180 2.152 2.213 . 0 0 "[ . 1 . 2]" 1 577 1 69 ILE QG 1 69 ILE MG 2.830 . 2.830 2.075 2.033 2.135 . 0 0 "[ . 1 . 2]" 1 578 1 69 ILE QG 1 89 PHE QD 5.800 . 5.800 4.810 4.069 5.705 . 0 0 "[ . 1 . 2]" 1 579 1 69 ILE MG 1 70 LYS H 4.720 . 4.720 3.000 2.561 4.060 . 0 0 "[ . 1 . 2]" 1 580 1 70 LYS H 1 70 LYS QG 4.450 . 4.450 3.186 2.194 4.028 . 0 0 "[ . 1 . 2]" 1 581 1 70 LYS H 1 71 ASN H 3.400 . 3.400 3.481 2.428 3.685 0.285 11 0 "[ . 1 . 2]" 1 582 1 70 LYS HA 1 70 LYS QB 2.640 . 2.640 2.353 2.081 2.495 . 0 0 "[ . 1 . 2]" 1 583 1 70 LYS HA 1 70 LYS QG 3.720 . 3.720 2.691 2.232 3.473 . 0 0 "[ . 1 . 2]" 1 584 1 70 LYS HA 1 71 ASN H 2.360 . 2.360 2.267 2.058 2.440 0.080 12 0 "[ . 1 . 2]" 1 585 1 70 LYS HA 1 88 TYR HA 3.910 . 3.910 2.905 2.033 4.062 0.152 16 0 "[ . 1 . 2]" 1 586 1 70 LYS HA 1 89 PHE H 4.870 . 4.870 4.005 2.740 5.183 0.313 12 0 "[ . 1 . 2]" 1 587 1 71 ASN H 1 71 ASN HB2 3.870 . 3.870 2.960 2.481 3.851 . 0 0 "[ . 1 . 2]" 1 588 1 71 ASN H 1 71 ASN QB 3.270 . 3.270 2.593 2.278 2.930 . 0 0 "[ . 1 . 2]" 1 589 1 71 ASN H 1 71 ASN HB3 3.870 . 3.870 3.191 2.527 3.818 . 0 0 "[ . 1 . 2]" 1 590 1 71 ASN H 1 72 PHE H 3.920 . 3.920 3.976 3.725 4.353 0.433 9 0 "[ . 1 . 2]" 1 591 1 71 ASN H 1 88 TYR HA 2.590 . 2.590 2.570 1.924 2.841 0.251 15 0 "[ . 1 . 2]" 1 592 1 71 ASN H 1 88 TYR QB . . 3.040 3.268 2.244 4.491 1.451 14 5 "[ - .* * 1 +. *]" 1 593 1 71 ASN HA 1 72 PHE H 2.350 . 2.350 2.219 1.977 2.368 0.018 8 0 "[ . 1 . 2]" 1 594 1 72 PHE H 1 73 THR H 4.530 . 4.530 4.197 3.778 4.490 . 0 0 "[ . 1 . 2]" 1 595 1 72 PHE HA 1 73 THR H 2.290 . 2.290 2.179 2.109 2.305 0.015 19 0 "[ . 1 . 2]" 1 596 1 72 PHE HA 1 87 ASP H 3.620 . 3.620 3.513 3.076 3.919 0.299 12 0 "[ . 1 . 2]" 1 597 1 72 PHE HE2 1 74 VAL MG2 3.040 . 3.040 2.865 2.609 3.085 0.045 18 0 "[ . 1 . 2]" 1 598 1 73 THR H 1 73 THR HB 2.650 . 2.650 2.649 2.526 2.788 0.138 18 0 "[ . 1 . 2]" 1 599 1 73 THR H 1 74 VAL H 4.380 . 4.380 4.216 4.095 4.367 . 0 0 "[ . 1 . 2]" 1 600 1 73 THR H 1 86 GLY QA 4.510 . 4.510 3.324 2.195 3.993 . 0 0 "[ . 1 . 2]" 1 601 1 73 THR HA 1 73 THR HG1 2.560 . 2.560 2.661 2.418 2.794 0.234 11 0 "[ . 1 . 2]" 1 602 1 73 THR HA 1 73 THR MG 3.170 . 3.170 2.430 2.319 2.640 . 0 0 "[ . 1 . 2]" 1 603 1 73 THR HA 1 74 VAL H 2.240 . 2.240 2.124 2.077 2.200 . 0 0 "[ . 1 . 2]" 1 604 1 73 THR HB 1 85 GLU H 3.940 . 3.940 3.738 3.404 4.029 0.089 3 0 "[ . 1 . 2]" 1 605 1 73 THR HG1 1 74 VAL H 4.570 . 4.570 4.647 4.405 4.749 0.179 1 0 "[ . 1 . 2]" 1 606 1 73 THR MG 1 74 VAL H 4.060 . 4.060 3.281 3.043 3.577 . 0 0 "[ . 1 . 2]" 1 607 1 73 THR MG 1 75 PHE QD 4.430 . 4.430 3.630 3.158 3.959 . 0 0 "[ . 1 . 2]" 1 608 1 73 THR MG 1 75 PHE QE 4.680 . 4.680 2.623 2.219 2.845 . 0 0 "[ . 1 . 2]" 1 609 1 74 VAL H 1 74 VAL HB 3.450 . 3.450 3.257 3.121 3.452 0.002 16 0 "[ . 1 . 2]" 1 610 1 74 VAL H 1 74 VAL MG1 3.170 . 3.170 2.352 2.266 2.493 . 0 0 "[ . 1 . 2]" 1 611 1 74 VAL H 1 74 VAL MG2 4.660 . 4.660 4.056 4.024 4.105 . 0 0 "[ . 1 . 2]" 1 612 1 74 VAL H 1 75 PHE H 4.480 . 4.480 4.437 4.395 4.488 0.008 9 0 "[ . 1 . 2]" 1 613 1 74 VAL HA 1 74 VAL MG1 3.870 . 3.870 3.302 3.292 3.314 . 0 0 "[ . 1 . 2]" 1 614 1 74 VAL HA 1 74 VAL MG2 3.310 . 3.310 2.430 2.392 2.491 . 0 0 "[ . 1 . 2]" 1 615 1 74 VAL HA 1 75 PHE H 2.230 . 2.230 2.047 1.982 2.102 . 0 0 "[ . 1 . 2]" 1 616 1 74 VAL HA 1 84 TRP HA 2.150 . 2.150 2.121 2.070 2.197 0.047 16 0 "[ . 1 . 2]" 1 617 1 74 VAL HA 1 85 GLU H 3.110 . 3.110 3.257 2.927 3.497 0.387 8 0 "[ . 1 . 2]" 1 618 1 74 VAL HB 1 85 GLU H 3.920 . 3.920 3.898 3.745 4.082 0.162 19 0 "[ . 1 . 2]" 1 619 1 74 VAL MG1 1 75 PHE H 4.550 . 4.550 4.092 4.057 4.123 . 0 0 "[ . 1 . 2]" 1 620 1 74 VAL MG1 1 84 TRP HE3 5.390 . 5.390 4.800 4.528 4.945 . 0 0 "[ . 1 . 2]" 1 621 1 74 VAL MG2 1 75 PHE H 3.180 . 3.180 2.550 2.419 2.619 . 0 0 "[ . 1 . 2]" 1 622 1 74 VAL MG2 1 81 VAL HA 4.450 . 4.450 3.996 3.830 4.203 . 0 0 "[ . 1 . 2]" 1 623 1 74 VAL MG2 1 84 TRP HZ3 4.730 . 4.730 4.028 3.759 4.165 . 0 0 "[ . 1 . 2]" 1 624 1 75 PHE H 1 75 PHE HB2 2.450 . 2.450 2.436 2.400 2.459 0.009 3 0 "[ . 1 . 2]" 1 625 1 75 PHE H 1 75 PHE HB3 3.670 . 3.670 3.677 3.655 3.693 0.023 5 0 "[ . 1 . 2]" 1 626 1 75 PHE H 1 76 PHE H 4.520 . 4.520 4.572 4.464 4.605 0.085 8 0 "[ . 1 . 2]" 1 627 1 75 PHE H 1 84 TRP HA 3.390 . 3.390 3.376 3.265 3.504 0.114 19 0 "[ . 1 . 2]" 1 628 1 75 PHE H 1 84 TRP QB 5.600 . 5.600 4.101 3.571 4.405 . 0 0 "[ . 1 . 2]" 1 629 1 75 PHE HA 1 75 PHE QD . . 2.970 2.870 2.797 2.922 . 0 0 "[ . 1 . 2]" 1 630 1 75 PHE HA 1 76 PHE H 2.210 . 2.210 2.096 2.060 2.132 . 0 0 "[ . 1 . 2]" 1 631 1 75 PHE HB2 1 83 ARG H 2.590 . 2.590 2.395 2.175 2.600 0.010 1 0 "[ . 1 . 2]" 1 632 1 75 PHE HB3 1 76 PHE H 3.520 . 3.520 3.267 3.049 3.531 0.011 17 0 "[ . 1 . 2]" 1 633 1 75 PHE HB3 1 83 ARG H 3.820 . 3.820 3.783 3.624 3.917 0.097 4 0 "[ . 1 . 2]" 1 634 1 75 PHE QD 1 83 ARG QG 4.620 . 4.620 3.367 2.134 4.257 . 0 0 "[ . 1 . 2]" 1 635 1 75 PHE QD 1 84 TRP HA 3.970 . 3.970 3.817 2.978 4.122 0.152 13 0 "[ . 1 . 2]" 1 636 1 76 PHE H 1 76 PHE HB2 3.870 . 3.870 2.827 2.723 2.919 . 0 0 "[ . 1 . 2]" 1 637 1 76 PHE H 1 76 PHE QB 3.270 . 3.270 2.764 2.671 2.846 . 0 0 "[ . 1 . 2]" 1 638 1 76 PHE H 1 76 PHE HB3 3.870 . 3.870 3.906 3.857 3.946 0.076 3 0 "[ . 1 . 2]" 1 639 1 76 PHE H 1 77 GLU H 4.500 . 4.500 4.514 4.449 4.582 0.082 19 0 "[ . 1 . 2]" 1 640 1 76 PHE HA 1 76 PHE HD1 2.890 . 2.890 2.653 2.373 2.941 0.051 10 0 "[ . 1 . 2]" 1 641 1 76 PHE HA 1 76 PHE HD2 4.470 . 4.470 4.542 4.410 4.722 0.252 18 0 "[ . 1 . 2]" 1 642 1 76 PHE HA 1 77 GLU H 2.230 . 2.230 2.240 2.195 2.291 0.061 10 0 "[ . 1 . 2]" 1 643 1 76 PHE HA 1 78 ASN H 4.750 . 4.750 4.778 4.476 4.923 0.173 8 0 "[ . 1 . 2]" 1 644 1 76 PHE HA 1 80 GLN HA 5.510 . 5.510 5.396 5.103 5.533 0.023 1 0 "[ . 1 . 2]" 1 645 1 76 PHE HA 1 81 VAL HA 2.680 . 2.680 2.719 2.519 2.842 0.162 7 0 "[ . 1 . 2]" 1 646 1 76 PHE HA 1 82 VAL H 2.950 . 2.950 2.960 2.682 3.116 0.166 18 0 "[ . 1 . 2]" 1 647 1 76 PHE HA 1 82 VAL MG2 3.290 . 3.290 2.976 2.627 3.238 . 0 0 "[ . 1 . 2]" 1 648 1 76 PHE HD1 1 77 GLU H 4.320 . 4.320 4.108 3.863 4.341 0.021 3 0 "[ . 1 . 2]" 1 649 1 76 PHE HD1 1 80 GLN H 5.290 . 5.290 4.947 4.485 5.352 0.062 4 0 "[ . 1 . 2]" 1 650 1 76 PHE HD1 1 81 VAL HA 2.320 . 2.320 2.205 2.081 2.302 . 0 0 "[ . 1 . 2]" 1 651 1 76 PHE HD1 1 81 VAL MG1 . . 3.160 2.969 2.750 3.095 . 0 0 "[ . 1 . 2]" 1 652 1 76 PHE HE1 1 81 VAL HA 3.650 . 3.650 3.552 3.357 3.675 0.025 18 0 "[ . 1 . 2]" 1 653 1 76 PHE HE1 1 81 VAL HB 4.420 . 4.420 4.441 4.385 4.488 0.068 5 0 "[ . 1 . 2]" 1 654 1 76 PHE HE1 1 81 VAL MG1 2.630 . 2.630 2.387 2.291 2.526 . 0 0 "[ . 1 . 2]" 1 655 1 76 PHE HE1 1 81 VAL MG2 3.680 . 3.680 2.059 2.027 2.103 . 0 0 "[ . 1 . 2]" 1 656 1 77 GLU H 1 78 ASN H 2.760 . 2.760 2.789 2.515 2.863 0.103 8 0 "[ . 1 . 2]" 1 657 1 77 GLU H 1 80 GLN H 3.300 . 3.300 3.502 3.319 3.572 0.272 6 0 "[ . 1 . 2]" 1 658 1 77 GLU H 1 81 VAL HA 4.220 . 4.220 4.134 3.711 4.395 0.175 7 0 "[ . 1 . 2]" 1 659 1 77 GLU H 1 82 VAL MG2 . . 3.330 3.013 2.578 3.291 . 0 0 "[ . 1 . 2]" 1 660 1 77 GLU HA 1 77 GLU QB 2.720 . 2.720 2.310 2.060 2.549 . 0 0 "[ . 1 . 2]" 1 661 1 77 GLU HA 1 78 ASN H 3.500 . 3.500 3.497 3.446 3.566 0.066 18 0 "[ . 1 . 2]" 1 662 1 77 GLU QG 1 82 VAL MG2 7.230 . 7.230 4.177 3.146 4.893 . 0 0 "[ . 1 . 2]" 1 663 1 78 ASN H 1 78 ASN QB 3.450 . 3.450 2.841 2.454 3.139 . 0 0 "[ . 1 . 2]" 1 664 1 78 ASN HA 1 79 GLU H 3.550 . 3.550 3.583 3.558 3.618 0.068 7 0 "[ . 1 . 2]" 1 665 1 79 GLU H 1 80 GLN H 2.360 . 2.360 2.355 2.018 2.504 0.144 15 0 "[ . 1 . 2]" 1 666 1 79 GLU HA 1 79 GLU QG 3.910 . 3.910 2.976 2.332 3.600 . 0 0 "[ . 1 . 2]" 1 667 1 80 GLN H 1 80 GLN HB3 2.960 . 2.960 2.865 2.707 2.981 0.021 14 0 "[ . 1 . 2]" 1 668 1 80 GLN H 1 81 VAL H 4.660 . 4.660 4.637 4.527 4.702 0.042 19 0 "[ . 1 . 2]" 1 669 1 80 GLN HA 1 80 GLN HB3 2.550 . 2.550 2.402 2.319 2.556 0.006 9 0 "[ . 1 . 2]" 1 670 1 80 GLN HA 1 80 GLN QG 3.940 . 3.940 3.464 3.381 3.585 . 0 0 "[ . 1 . 2]" 1 671 1 80 GLN HA 1 81 VAL H 2.230 . 2.230 2.150 2.051 2.293 0.063 5 0 "[ . 1 . 2]" 1 672 1 80 GLN HB2 1 81 VAL H 2.780 . 2.780 2.846 2.718 2.998 0.218 18 0 "[ . 1 . 2]" 1 673 1 81 VAL H 1 81 VAL HB 3.050 . 3.050 2.922 2.727 3.028 . 0 0 "[ . 1 . 2]" 1 674 1 81 VAL H 1 81 VAL MG1 4.510 . 4.510 3.927 3.877 3.962 . 0 0 "[ . 1 . 2]" 1 675 1 81 VAL H 1 81 VAL MG2 2.370 . 2.370 2.218 2.093 2.369 . 0 0 "[ . 1 . 2]" 1 676 1 81 VAL H 1 82 VAL H 4.570 . 4.570 4.577 4.508 4.617 0.047 14 0 "[ . 1 . 2]" 1 677 1 81 VAL HA 1 81 VAL MG1 3.660 . 3.660 2.283 2.244 2.334 . 0 0 "[ . 1 . 2]" 1 678 1 81 VAL HA 1 81 VAL MG2 3.790 . 3.790 2.724 2.608 2.833 . 0 0 "[ . 1 . 2]" 1 679 1 81 VAL HA 1 82 VAL H 2.280 . 2.280 2.098 2.058 2.144 . 0 0 "[ . 1 . 2]" 1 680 1 81 VAL HB 1 81 VAL MG1 2.530 . 2.530 2.177 2.167 2.193 . 0 0 "[ . 1 . 2]" 1 681 1 81 VAL HB 1 81 VAL MG2 2.350 . 2.350 2.155 2.148 2.164 . 0 0 "[ . 1 . 2]" 1 682 1 81 VAL MG1 1 82 VAL HA 4.520 . 4.520 4.312 4.256 4.373 . 0 0 "[ . 1 . 2]" 1 683 1 82 VAL H 1 83 ARG H 2.660 . 2.660 2.697 2.543 2.811 0.151 4 0 "[ . 1 . 2]" 1 684 1 82 VAL HA 1 82 VAL MG1 3.830 . 3.830 2.518 2.458 2.588 . 0 0 "[ . 1 . 2]" 1 685 1 82 VAL HA 1 82 VAL MG2 2.630 . 2.630 2.483 2.456 2.512 . 0 0 "[ . 1 . 2]" 1 686 1 82 VAL HA 1 83 ARG H 3.630 . 3.630 3.608 3.564 3.630 0.000 20 0 "[ . 1 . 2]" 1 687 1 82 VAL HB 1 82 VAL MG1 2.510 . 2.510 2.190 2.175 2.202 . 0 0 "[ . 1 . 2]" 1 688 1 82 VAL HB 1 83 ARG H 2.430 . 2.430 2.373 2.225 2.430 0.000 1 0 "[ . 1 . 2]" 1 689 1 83 ARG H 1 83 ARG HE 5.750 . 5.750 5.319 3.786 5.951 0.201 18 0 "[ . 1 . 2]" 1 690 1 83 ARG H 1 83 ARG QG 4.430 . 4.430 3.074 2.632 3.320 . 0 0 "[ . 1 . 2]" 1 691 1 83 ARG HA 1 83 ARG HB3 2.510 . 2.510 2.411 2.286 2.509 . 0 0 "[ . 1 . 2]" 1 692 1 83 ARG HA 1 83 ARG QG 3.950 . 3.950 3.527 3.407 3.610 . 0 0 "[ . 1 . 2]" 1 693 1 83 ARG HA 1 84 TRP H 2.260 . 2.260 2.332 2.192 2.464 0.204 4 0 "[ . 1 . 2]" 1 694 1 83 ARG HB2 1 84 TRP H 2.660 . 2.660 2.460 2.030 2.720 0.060 14 0 "[ . 1 . 2]" 1 695 1 83 ARG HE 1 84 TRP H 3.360 . 3.360 3.445 2.953 3.831 0.471 1 0 "[ . 1 . 2]" 1 696 1 84 TRP H 1 84 TRP HB2 3.820 . 3.820 3.905 3.789 4.150 0.330 1 0 "[ . 1 . 2]" 1 697 1 84 TRP H 1 84 TRP QB 3.480 . 3.480 3.209 3.098 3.462 . 0 0 "[ . 1 . 2]" 1 698 1 84 TRP H 1 84 TRP HB3 3.820 . 3.820 3.414 3.252 3.708 . 0 0 "[ . 1 . 2]" 1 699 1 84 TRP H 1 85 GLU H 4.530 . 4.530 4.418 3.946 4.600 0.070 3 0 "[ . 1 . 2]" 1 700 1 84 TRP HA 1 85 GLU H 2.280 . 2.280 2.063 1.966 2.167 . 0 0 "[ . 1 . 2]" 1 701 1 84 TRP QB 1 85 GLU H 4.080 . 4.080 2.904 2.548 3.528 . 0 0 "[ . 1 . 2]" 1 702 1 85 GLU H 1 86 GLY H 4.170 . 4.170 4.195 3.634 4.412 0.242 12 0 "[ . 1 . 2]" 1 703 1 85 GLU HA 1 85 GLU QB 2.700 . 2.700 2.400 2.074 2.584 . 0 0 "[ . 1 . 2]" 1 704 1 85 GLU HA 1 85 GLU QG 3.580 . 3.580 2.915 2.276 3.471 . 0 0 "[ . 1 . 2]" 1 705 1 85 GLU HA 1 86 GLY H 2.300 . 2.300 2.130 2.049 2.203 . 0 0 "[ . 1 . 2]" 1 706 1 86 GLY H 1 86 GLY QA 2.570 . 2.570 2.441 2.314 2.591 0.021 3 0 "[ . 1 . 2]" 1 707 1 86 GLY H 1 87 ASP H 4.530 . 4.530 4.098 3.272 4.581 0.051 17 0 "[ . 1 . 2]" 1 708 1 86 GLY QA 1 87 ASP H 2.780 . 2.780 2.186 2.061 2.364 . 0 0 "[ . 1 . 2]" 1 709 1 86 GLY HA2 1 87 ASP H 3.450 . 3.450 2.560 2.117 3.373 . 0 0 "[ . 1 . 2]" 1 710 1 86 GLY HA3 1 87 ASP H 3.450 . 3.450 2.922 2.092 3.500 0.050 2 0 "[ . 1 . 2]" 1 711 1 87 ASP H 1 88 TYR QB 5.350 . 5.350 4.223 3.344 5.095 . 0 0 "[ . 1 . 2]" 1 712 1 88 TYR H 1 88 TYR QB . . 3.300 3.002 2.523 3.546 0.246 20 0 "[ . 1 . 2]" 1 713 1 88 TYR H 1 89 PHE H 4.670 . 4.670 3.924 2.462 4.707 0.037 19 0 "[ . 1 . 2]" 1 714 1 88 TYR HA 1 88 TYR QD . . 4.330 3.567 2.697 3.830 . 0 0 "[ . 1 . 2]" 1 715 1 88 TYR HA 1 89 PHE H 3.430 . 3.430 2.520 2.056 3.534 0.104 9 0 "[ . 1 . 2]" 1 716 1 89 PHE HA 1 89 PHE QB 2.740 . 2.740 2.406 2.062 2.561 . 0 0 "[ . 1 . 2]" 1 717 1 89 PHE HA 1 90 PRO HD2 2.200 . 2.200 2.292 2.210 2.439 0.239 6 0 "[ . 1 . 2]" 1 718 1 89 PHE HA 1 90 PRO HD3 2.740 . 2.740 2.661 2.442 2.835 0.095 20 0 "[ . 1 . 2]" 1 719 1 90 PRO HA 1 91 SER H 2.430 . 2.430 2.467 2.237 2.604 0.174 9 0 "[ . 1 . 2]" 1 720 1 90 PRO HD2 1 91 SER H 4.590 . 4.590 4.492 4.224 4.729 0.139 8 0 "[ . 1 . 2]" 1 721 1 90 PRO HD3 1 91 SER H 4.910 . 4.910 4.850 4.626 5.016 0.106 12 0 "[ . 1 . 2]" 1 722 1 91 SER H 1 92 GLN H 3.280 . 3.280 3.276 2.438 3.801 0.521 8 1 "[ . + 1 . 2]" 1 723 1 91 SER HA 1 91 SER QB 2.680 . 2.680 2.376 2.147 2.492 . 0 0 "[ . 1 . 2]" 1 724 1 91 SER HA 1 92 GLN H 2.490 . 2.490 2.362 2.093 2.666 0.176 4 0 "[ . 1 . 2]" 1 725 1 92 GLN H 1 93 ASP H 3.990 . 3.990 3.606 3.005 4.163 0.173 3 0 "[ . 1 . 2]" 1 726 1 92 GLN HA 1 92 GLN QB 2.590 . 2.590 2.242 2.083 2.444 . 0 0 "[ . 1 . 2]" 1 727 1 92 GLN HA 1 92 GLN QG 4.000 . 4.000 3.139 2.304 3.613 . 0 0 "[ . 1 . 2]" 1 728 1 92 GLN HA 1 93 ASP H 2.250 . 2.250 2.345 2.054 2.786 0.536 7 1 "[ . + 1 . 2]" 1 729 1 93 ASP H 1 93 ASP HA 2.340 . 2.340 2.916 2.307 3.068 0.728 18 15 "[*-*** *****.**+**]" 1 730 1 93 ASP H 1 94 GLU H 3.320 . 3.320 3.194 2.329 3.693 0.373 1 0 "[ . 1 . 2]" 1 731 1 93 ASP HA 1 93 ASP QB 2.650 . 2.650 2.335 2.087 2.586 . 0 0 "[ . 1 . 2]" 1 732 1 93 ASP HA 1 94 GLU H 2.520 . 2.520 2.361 1.994 2.938 0.418 19 0 "[ . 1 . 2]" 1 733 1 93 ASP HA 1 95 GLN H 4.510 . 4.510 4.158 3.151 4.706 0.196 16 0 "[ . 1 . 2]" 1 734 1 94 GLU H 1 94 GLU HA 2.900 . 2.900 2.905 2.375 3.054 0.154 7 0 "[ . 1 . 2]" 1 735 1 94 GLU H 1 94 GLU QG 5.430 . 5.430 3.529 2.184 4.575 . 0 0 "[ . 1 . 2]" 1 736 1 94 GLU H 1 95 GLN H 3.600 . 3.600 3.415 2.209 3.892 0.292 1 0 "[ . 1 . 2]" 1 737 1 94 GLU HA 1 95 GLN H 2.600 . 2.600 2.543 2.100 3.180 0.580 12 3 "[ * - 1 + . 2]" 1 738 1 95 GLN H 1 95 GLN QB 3.560 . 3.560 2.692 2.149 3.134 . 0 0 "[ . 1 . 2]" 1 739 1 95 GLN H 1 95 GLN QG 5.600 . 5.600 4.063 2.646 4.622 . 0 0 "[ . 1 . 2]" 1 740 1 95 GLN H 1 96 LEU H 3.380 . 3.380 3.515 2.863 4.031 0.651 4 2 "[ +. 1 .- 2]" 1 741 1 95 GLN HA 1 96 LEU H 2.250 . 2.250 2.238 2.069 2.445 0.195 10 0 "[ . 1 . 2]" 1 742 1 96 LEU H 1 96 LEU HA 2.890 . 2.890 2.841 2.269 3.052 0.162 11 0 "[ . 1 . 2]" 1 743 1 96 LEU H 1 96 LEU QB 3.070 . 3.070 2.318 2.075 2.883 . 0 0 "[ . 1 . 2]" 1 744 1 96 LEU HA 1 97 ALA H 2.390 . 2.390 2.230 2.071 2.475 0.085 6 0 "[ . 1 . 2]" 1 745 1 96 LEU QB 1 97 ALA H 5.520 . 5.520 3.779 2.463 4.066 . 0 0 "[ . 1 . 2]" 1 746 1 97 ALA H 1 97 ALA HA 2.900 . 2.900 2.917 2.336 3.083 0.183 5 0 "[ . 1 . 2]" 1 747 1 97 ALA H 1 97 ALA MB 2.820 . 2.820 2.364 2.189 2.822 0.002 9 0 "[ . 1 . 2]" 1 748 1 97 ALA HA 1 97 ALA MB 2.500 . 2.500 2.172 2.134 2.222 . 0 0 "[ . 1 . 2]" 1 749 1 97 ALA HA 1 98 LYS H 2.480 . 2.480 2.308 2.102 2.901 0.421 5 0 "[ . 1 . 2]" 1 750 1 98 LYS HA 1 99 ALA H 2.260 . 2.260 2.271 2.119 2.429 0.169 12 0 "[ . 1 . 2]" 1 751 1 98 LYS QB 1 99 ALA H 5.280 . 5.280 3.763 2.368 4.045 . 0 0 "[ . 1 . 2]" 1 752 1 99 ALA H 1 99 ALA HA 2.940 . 2.940 2.932 2.762 3.051 0.111 12 0 "[ . 1 . 2]" 1 753 1 99 ALA H 1 99 ALA MB 3.640 . 3.640 2.378 2.194 3.005 . 0 0 "[ . 1 . 2]" 1 754 1 99 ALA H 1 100 ALA H 4.320 . 4.320 3.844 2.610 4.595 0.275 7 0 "[ . 1 . 2]" 1 755 1 99 ALA HA 1 99 ALA MB 2.490 . 2.490 2.170 2.152 2.189 . 0 0 "[ . 1 . 2]" 1 756 1 99 ALA MB 1 100 ALA H 4.520 . 4.520 3.075 2.076 3.731 . 0 0 "[ . 1 . 2]" 1 757 1 100 ALA H 1 100 ALA MB 2.560 . 2.560 2.380 2.181 2.592 0.032 1 0 "[ . 1 . 2]" 1 758 1 100 ALA H 1 102 LYS H 5.470 . 5.470 5.133 4.141 5.572 0.102 8 0 "[ . 1 . 2]" 1 759 1 100 ALA HA 1 101 PRO HD2 2.530 . 2.530 2.377 2.187 2.556 0.026 9 0 "[ . 1 . 2]" 1 760 1 100 ALA HA 1 101 PRO QD 2.270 . 2.270 2.160 2.106 2.237 . 0 0 "[ . 1 . 2]" 1 761 1 100 ALA HA 1 101 PRO HD3 2.530 . 2.530 2.513 2.310 2.749 0.219 13 0 "[ . 1 . 2]" 1 762 1 101 PRO HA 1 102 LYS H 2.460 . 2.460 2.338 2.155 2.493 0.033 10 0 "[ . 1 . 2]" 1 763 1 102 LYS HA 1 102 LYS QB 2.570 . 2.570 2.331 2.084 2.478 . 0 0 "[ . 1 . 2]" 1 764 1 102 LYS HA 1 103 GLN H 2.230 . 2.230 2.234 2.106 2.335 0.105 1 0 "[ . 1 . 2]" 1 765 1 103 GLN H 1 104 PHE H 3.870 . 3.870 3.866 3.332 4.361 0.491 6 0 "[ . 1 . 2]" 1 766 1 103 GLN HA 1 104 PHE H 2.500 . 2.500 2.262 1.972 2.540 0.040 14 0 "[ . 1 . 2]" 1 767 1 104 PHE H 1 105 GLY H 2.920 . 2.920 2.962 1.962 3.237 0.317 6 0 "[ . 1 . 2]" 1 768 1 104 PHE HA 1 104 PHE QB 2.590 . 2.590 2.246 2.057 2.586 . 0 0 "[ . 1 . 2]" 1 769 1 104 PHE HA 1 105 GLY H 3.140 . 3.140 2.756 2.187 3.517 0.377 19 0 "[ . 1 . 2]" 1 770 1 105 GLY H 1 105 GLY QA 2.610 . 2.610 2.391 2.305 2.542 . 0 0 "[ . 1 . 2]" 1 771 1 105 GLY H 1 106 ARG H 4.140 . 4.140 3.742 2.760 4.257 0.117 9 0 "[ . 1 . 2]" 1 772 1 105 GLY QA 1 106 ARG H 2.950 . 2.950 2.343 2.177 2.636 . 0 0 "[ . 1 . 2]" 1 773 1 105 GLY HA2 1 106 ARG H 3.500 . 3.500 2.720 2.207 3.528 0.028 15 0 "[ . 1 . 2]" 1 774 1 105 GLY HA3 1 106 ARG H 3.500 . 3.500 3.119 2.295 3.522 0.022 6 0 "[ . 1 . 2]" 1 775 1 106 ARG H 1 106 ARG QB 3.740 . 3.740 2.569 2.197 3.315 . 0 0 "[ . 1 . 2]" 1 776 1 106 ARG H 1 107 ASN H 4.340 . 4.340 3.964 3.118 4.483 0.143 12 0 "[ . 1 . 2]" 1 777 1 106 ARG HA 1 107 ASN H 2.250 . 2.250 2.218 2.051 2.369 0.119 15 0 "[ . 1 . 2]" 1 778 1 107 ASN H 1 107 ASN QB 3.380 . 3.380 2.533 2.205 3.069 . 0 0 "[ . 1 . 2]" 1 779 1 107 ASN H 1 107 ASN QD 5.550 . 5.550 4.038 2.393 4.949 . 0 0 "[ . 1 . 2]" 1 780 1 107 ASN H 1 108 LEU H 4.160 . 4.160 3.987 3.529 4.277 0.117 4 0 "[ . 1 . 2]" 1 781 1 107 ASN HA 1 108 LEU H 2.260 . 2.260 2.232 2.014 2.384 0.124 13 0 "[ . 1 . 2]" 1 782 1 108 LEU H 1 108 LEU HA 2.910 . 2.910 2.967 2.854 3.061 0.151 6 0 "[ . 1 . 2]" 1 783 1 108 LEU H 1 108 LEU QB 3.680 . 3.680 2.682 2.114 3.455 . 0 0 "[ . 1 . 2]" 1 784 1 108 LEU H 1 109 ALA H 3.940 . 3.940 3.855 3.010 4.277 0.337 20 0 "[ . 1 . 2]" 1 785 1 108 LEU HA 1 109 ALA H 2.380 . 2.380 2.250 2.129 2.556 0.176 6 0 "[ . 1 . 2]" 1 786 1 109 ALA H 1 109 ALA MB 2.560 . 2.560 2.371 2.191 2.663 0.103 6 0 "[ . 1 . 2]" 1 787 1 109 ALA H 1 110 ARG H 3.970 . 3.970 3.684 2.294 4.489 0.519 17 3 "[ . 1* . + -2]" 1 788 1 109 ALA HA 1 110 ARG H 3.600 . 3.600 2.652 1.980 3.662 0.062 1 0 "[ . 1 . 2]" 1 789 1 109 ALA MB 1 110 ARG H . . 3.770 2.770 2.051 3.492 . 0 0 "[ . 1 . 2]" 1 790 1 110 ARG H 1 110 ARG QB 3.910 . 3.910 2.807 2.342 3.331 . 0 0 "[ . 1 . 2]" 1 791 1 110 ARG H 1 111 ASP H 4.340 . 4.340 3.997 2.851 4.482 0.142 17 0 "[ . 1 . 2]" 1 792 1 110 ARG HA 1 110 ARG QB 2.680 . 2.680 2.385 2.098 2.623 . 0 0 "[ . 1 . 2]" 1 793 1 110 ARG HA 1 111 ASP H 2.230 . 2.230 2.198 2.104 2.339 0.109 12 0 "[ . 1 . 2]" 1 794 1 111 ASP H 1 111 ASP HA 2.830 . 2.830 2.946 2.804 3.040 0.210 4 0 "[ . 1 . 2]" 1 795 1 111 ASP H 1 111 ASP QB 3.260 . 3.260 2.518 2.114 3.100 . 0 0 "[ . 1 . 2]" 1 796 1 111 ASP H 1 112 LYS H 4.520 . 4.520 4.489 4.280 4.594 0.074 5 0 "[ . 1 . 2]" 1 797 1 111 ASP HA 1 111 ASP QB 2.630 . 2.630 2.337 2.128 2.554 . 0 0 "[ . 1 . 2]" 1 798 1 111 ASP HA 1 112 LYS H 2.400 . 2.400 2.359 2.088 2.722 0.322 13 0 "[ . 1 . 2]" 1 799 1 111 ASP QB 1 112 LYS H 2.990 . 2.990 2.446 1.902 3.014 0.024 19 0 "[ . 1 . 2]" 1 800 1 112 LYS H 1 112 LYS HA 2.920 . 2.920 2.982 2.801 3.063 0.143 5 0 "[ . 1 . 2]" 1 801 1 112 LYS H 1 112 LYS QB 3.670 . 3.670 2.881 2.451 3.444 . 0 0 "[ . 1 . 2]" 1 802 1 112 LYS H 1 113 LYS H 2.940 . 2.940 3.059 2.832 3.310 0.370 13 0 "[ . 1 . 2]" 1 803 1 112 LYS HA 1 113 LYS H 2.300 . 2.300 2.314 2.061 2.448 0.148 1 0 "[ . 1 . 2]" 1 804 1 113 LYS H 1 114 LYS H 4.580 . 4.580 4.131 3.090 4.664 0.084 1 0 "[ . 1 . 2]" 1 805 1 113 LYS HA 1 114 LYS H 2.250 . 2.250 2.268 2.115 2.402 0.152 15 0 "[ . 1 . 2]" 1 806 1 114 LYS H 1 115 GLN H 3.690 . 3.690 3.644 2.650 4.227 0.537 1 1 "[+ . 1 . 2]" 1 807 1 114 LYS HA 1 115 GLN H 3.550 . 3.550 2.543 2.067 3.623 0.073 4 0 "[ . 1 . 2]" 1 808 1 115 GLN H 1 115 GLN HA 2.840 . 2.840 2.964 2.776 3.077 0.237 8 0 "[ . 1 . 2]" 1 809 1 115 GLN H 1 115 GLN QB 3.360 . 3.360 2.664 2.233 3.108 . 0 0 "[ . 1 . 2]" 1 810 1 115 GLN H 1 116 ARG H 3.750 . 3.750 3.374 1.979 4.019 0.269 4 0 "[ . 1 . 2]" 1 811 1 115 GLN HA 1 116 ARG H 3.260 . 3.260 3.045 2.073 3.562 0.302 6 0 "[ . 1 . 2]" 1 812 1 116 ARG H 1 116 ARG QB 3.650 . 3.650 2.905 2.306 3.511 . 0 0 "[ . 1 . 2]" 1 813 1 116 ARG H 1 117 GLY H 3.490 . 3.490 3.613 2.693 3.985 0.495 10 0 "[ . 1 . 2]" 1 814 1 116 ARG HA 1 117 GLY H 2.310 . 2.310 2.194 2.039 2.421 0.111 14 0 "[ . 1 . 2]" 1 815 1 116 ARG QG 1 117 GLY H 5.340 . 5.340 3.986 2.783 4.777 . 0 0 "[ . 1 . 2]" 1 816 1 117 GLY H 1 117 GLY HA2 2.820 . 2.820 2.843 2.403 3.045 0.225 12 0 "[ . 1 . 2]" 1 817 1 117 GLY H 1 117 GLY QA 2.450 . 2.450 2.315 2.242 2.573 0.123 15 0 "[ . 1 . 2]" 1 818 1 117 GLY H 1 117 GLY HA3 2.820 . 2.820 2.488 2.366 2.975 0.155 14 0 "[ . 1 . 2]" 1 819 1 117 GLY H 1 118 ARG H 4.050 . 4.050 3.631 2.702 4.462 0.412 7 0 "[ . 1 . 2]" 1 820 1 117 GLY QA 1 118 ARG H 2.800 . 2.800 2.329 2.034 2.530 . 0 0 "[ . 1 . 2]" 1 821 1 117 GLY HA2 1 118 ARG H 3.470 . 3.470 3.029 2.058 3.520 0.050 8 0 "[ . 1 . 2]" 1 822 1 117 GLY HA3 1 118 ARG H 3.470 . 3.470 2.771 2.238 3.502 0.032 17 0 "[ . 1 . 2]" 1 stop_ save_
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