NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
397988 | 1t3v | 6198 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t3v 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 1915 _Distance_constraint_stats_list.Viol_count 5876 _Distance_constraint_stats_list.Viol_total 39814.906 _Distance_constraint_stats_list.Viol_max 3.495 _Distance_constraint_stats_list.Viol_rms 0.2016 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0430 _Distance_constraint_stats_list.Viol_average_violations_only 0.3080 _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 7.854 0.533 19 3 "[ . 1 - . +* ]" 1 2 ILE 60.920 1.369 5 22 [****+**********-******] 1 3 ILE 20.230 0.699 1 5 "[+ . * - . ** ]" 1 4 ALA 57.742 1.447 12 22 [-**********+**********] 1 5 ILE 31.072 0.922 17 22 [***********-****+*****] 1 6 PRO 11.009 0.194 16 0 "[ . 1 . 2 ]" 1 7 VAL 23.258 0.648 17 22 [****************+***-*] 1 8 SER 41.517 1.126 12 19 "[* *********+ ***** *-*]" 1 9 GLU 4.473 0.321 4 0 "[ . 1 . 2 ]" 1 10 ASN 5.171 0.179 8 0 "[ . 1 . 2 ]" 1 11 ARG 9.594 0.693 4 1 "[ +. 1 . 2 ]" 1 12 GLY 0.555 0.107 20 0 "[ . 1 . 2 ]" 1 13 LYS 23.867 1.524 9 16 "[** ** *+******** -* ]" 1 14 ASP 18.084 0.741 15 4 "[ *.* 1 +* 2 ]" 1 15 SER 36.615 0.873 17 22 [****************+***-*] 1 16 PRO 5.160 0.356 19 0 "[ . 1 . 2 ]" 1 17 ILE 33.327 0.748 17 17 "[* **.***** ***-*+ ***]" 1 18 SER 25.883 1.142 12 12 "[ **** *1*+ *-* * 2 *]" 1 19 GLU 10.942 0.965 5 5 "[ * + 1 . -* *]" 1 20 HIS 21.101 1.187 2 17 "[*+* * *****-* **** * *]" 1 21 PHE 78.367 1.359 5 22 [**-*+*****************] 1 22 GLY 0.471 0.111 11 0 "[ . 1 . 2 ]" 1 23 ARG 20.799 1.187 2 15 "[*+*-* **** ** * ***]" 1 24 ALA 20.788 1.142 12 8 "[ ** *1*+ ** * 2 ]" 1 25 PRO 0.668 0.100 12 0 "[ . 1 . 2 ]" 1 26 TYR 26.155 1.041 12 10 "[* -** * +* ** * 2 ]" 1 27 PHE 18.512 0.512 20 1 "[ . 1 . + ]" 1 28 ALA 19.099 0.582 18 13 "[ *******-1 * .* + 2**]" 1 29 PHE 367.002 3.235 13 22 [********-***+*********] 1 30 VAL 111.602 3.495 10 22 [*********+***-********] 1 31 LYS 114.314 3.495 10 22 [*********+*****-******] 1 32 VAL 27.107 0.852 4 9 "[ * +* * 1** *.- * 2 ]" 1 33 LYS 24.154 1.372 8 17 "[****.**+ * ** ***-*2**]" 1 34 ASN 1.976 0.167 21 0 "[ . 1 . 2 ]" 1 35 ASN 36.778 1.686 15 22 [**************+**-****] 1 36 ALA 6.178 0.156 8 0 "[ . 1 . 2 ]" 1 37 ILE 14.440 0.852 4 9 "[ * +* * 1** *.- * 2 ]" 1 38 ALA 6.913 0.914 15 1 "[ . 1 + 2 ]" 1 39 ASP 12.751 0.804 19 3 "[ -.* 1 . +2 ]" 1 40 ILE 10.107 1.144 1 6 "[+ .* * *. -* ]" 1 41 SER 72.329 1.883 16 22 [**************-+******] 1 42 VAL 12.109 0.722 11 8 "[* . *+ **-* 2* ]" 1 43 GLU 2.418 0.138 19 0 "[ . 1 . 2 ]" 1 44 GLU 15.916 0.729 13 3 "[ . -1 + .* 2 ]" 1 45 ASN 14.423 0.677 13 9 "[ * ** -1 + .** 2**]" 1 46 PRO 28.975 0.797 6 14 "[* * *+* **** .*- *2**]" 1 47 LEU 35.466 2.409 5 22 [****+***********-*****] 1 48 ALA 7.422 0.563 1 2 "[+ . - . 2 ]" 1 49 GLN 5.731 0.380 16 0 "[ . 1 . 2 ]" 1 50 ASP 2.774 0.674 21 1 "[ . 1 . 2+ ]" 1 51 HIS 2.279 0.239 19 0 "[ . 1 . 2 ]" 1 52 VAL 0.262 0.152 13 0 "[ . 1 . 2 ]" 1 55 ALA 12.968 2.409 5 10 "[* *+* * * .-** * ]" 1 56 VAL 83.469 1.359 5 22 [***-+*****************] 1 57 PRO 12.555 0.751 15 10 "[**- ** ** * + 2 *]" 1 58 ASN 3.298 0.169 8 0 "[ . 1 . 2 ]" 1 59 PHE 62.154 1.624 2 22 [*+***-****************] 1 60 VAL 56.845 1.387 2 22 [*+*-******************] 1 61 LYS 73.279 2.786 18 22 [*******-*********+****] 1 62 GLU 13.169 0.539 13 2 "[ . 1- + . 2 ]" 1 63 LYS 25.102 0.816 13 3 "[ * 1- + . 2 ]" 1 64 GLY 10.822 0.433 15 0 "[ . 1 . 2 ]" 1 65 ALA 15.494 0.486 16 0 "[ . 1 . 2 ]" 1 66 GLU 8.641 0.360 2 0 "[ . 1 . 2 ]" 1 67 LEU 25.128 0.968 19 22 [*************-****+***] 1 68 VAL 124.113 3.116 6 22 [*****+**-*************] 1 69 ILE 61.403 1.447 12 22 [-**********+**********] 1 70 VAL 21.718 0.859 16 8 "[ -*. * 1 .+* ***]" 1 71 ARG 21.228 0.991 11 14 "[* * * **+* ****-* *]" 1 72 GLY 4.150 0.277 14 0 "[ . 1 . 2 ]" 1 73 ILE 45.196 1.645 7 22 [******+**********-****] 1 74 GLY 4.582 0.576 7 2 "[ - . + 1 . 2 ]" 1 75 ARG 49.189 2.698 17 22 [****-***********+*****] 1 76 ARG 50.562 2.698 17 22 [**-*************+*****] 1 77 ALA 21.341 1.645 7 14 "[ ***.*+* 1 **** - ***]" 1 78 ILE 92.562 1.644 11 22 [**********+******-****] 1 79 ALA 4.332 0.164 18 0 "[ . 1 . 2 ]" 1 80 ALA 138.209 3.235 13 22 [****-*******+*********] 1 81 PHE 18.032 1.120 16 16 "[* *-******** *+ *** ]" 1 82 GLU 22.421 0.699 19 9 "[** *.* -* *. *+2 ]" 1 83 ALA 31.777 0.974 6 20 "[*****+**-** **.*******]" 1 84 MET 67.165 2.786 18 20 "[* **-************+** *]" 1 85 GLY 28.003 1.556 10 22 [*********+******-*****] 1 86 VAL 91.254 2.024 13 22 [************+***-*****] 1 87 LYS 17.509 0.415 12 0 "[ . 1 . 2 ]" 1 88 VAL 18.609 1.209 10 7 "[* . + * ** -*2 ]" 1 89 ILE 15.603 0.559 18 2 "[ . 1 . +-2 ]" 1 90 LYS 17.022 0.732 15 4 "[ . 1 + *-* ]" 1 91 GLY 3.887 0.769 17 1 "[ . 1 . + 2 ]" 1 92 ALA 15.693 0.759 15 5 "[ . 1* +*- * ]" 1 93 SER 17.107 0.748 17 17 "[* **.***** ***-*+ ***]" 1 94 GLY 3.227 0.149 16 0 "[ . 1 . 2 ]" 1 95 THR 37.645 1.401 19 22 [*****************-+***] 1 96 VAL 61.952 0.922 17 22 [***********-****+*****] 1 97 GLU 16.460 1.524 9 12 "[ * *- *+1*** *** * ]" 1 98 GLU 15.726 0.575 5 6 "[ * + ** 1 - . * 2 ]" 1 99 VAL 66.094 1.401 19 22 [****************-*+***] 1 100 VAL 17.135 0.835 18 4 "[ -*. 1 . + 2 *]" 1 101 ASN 12.647 0.599 6 9 "[ -**+ *1 . ****]" 1 102 GLN 23.562 0.599 6 13 "[ -**+ **1 * . ******]" 1 103 TYR 33.804 0.870 12 13 "[ * ****- 1 +*** *** ]" 1 104 LEU 42.436 1.686 15 20 "[*******-******+ * ****]" 1 105 SER 12.328 0.406 12 0 "[ . 1 . 2 ]" 1 106 GLY 10.066 0.537 2 1 "[ + . 1 . 2 ]" 1 107 GLN 16.291 0.537 2 1 "[ + . 1 . 2 ]" 1 108 LEU 45.977 1.622 12 18 "[******** **+* * *-** *]" 1 109 LYS 38.223 1.622 12 15 "[***-.** ***+* * ** 2 *]" 1 110 ASP 6.370 0.467 13 0 "[ . 1 . 2 ]" 1 111 SER 4.785 0.246 2 0 "[ . 1 . 2 ]" 1 112 ASP 11.085 0.353 19 0 "[ . 1 . 2 ]" 1 113 TYR 20.506 1.644 11 11 "[* . * **+* *- *** ]" 1 114 GLU 9.325 0.809 2 3 "[ + . 1 . -2* ]" 1 115 VAL 3.939 0.809 2 3 "[ + . 1 . -2* ]" 1 116 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 MET HA 1 1 MET HG3 . . 3.850 3.150 2.144 4.070 0.220 6 0 "[ . 1 . 2 ]" 1 2 1 1 MET HA 1 2 ILE H . . 2.840 2.266 2.094 2.465 . 0 0 "[ . 1 . 2 ]" 1 3 1 1 MET HA 1 2 ILE HB . . 4.830 4.760 4.613 4.940 0.110 6 0 "[ . 1 . 2 ]" 1 4 1 1 MET HA 1 2 ILE QG . . 4.910 3.443 3.050 3.697 . 0 0 "[ . 1 . 2 ]" 1 5 1 1 MET HB2 1 32 VAL QG . . 3.850 3.767 3.203 4.174 0.324 13 0 "[ . 1 . 2 ]" 1 6 1 1 MET HB3 1 2 ILE H . . 4.530 4.123 3.854 4.289 . 0 0 "[ . 1 . 2 ]" 1 7 1 1 MET HB3 1 32 VAL QG . . 4.000 2.931 1.957 4.033 0.033 6 0 "[ . 1 . 2 ]" 1 8 1 1 MET HG2 1 2 ILE H . . 4.110 3.797 2.840 4.252 0.142 9 0 "[ . 1 . 2 ]" 1 9 1 1 MET HG2 1 3 ILE MD . . 5.180 3.089 2.368 3.861 . 0 0 "[ . 1 . 2 ]" 1 10 1 1 MET HG2 1 3 ILE HG12 . . 4.400 4.198 3.248 4.933 0.533 19 3 "[ . 1 - . +* ]" 1 11 1 1 MET HG2 1 32 VAL QG . . 4.750 2.200 1.934 3.014 . 0 0 "[ . 1 . 2 ]" 1 12 1 1 MET HG3 1 2 ILE H . . 4.090 3.004 2.212 4.164 0.074 21 0 "[ . 1 . 2 ]" 1 13 1 1 MET HG3 1 3 ILE H . . 5.500 5.067 4.450 5.571 0.071 8 0 "[ . 1 . 2 ]" 1 14 1 1 MET HG3 1 3 ILE MD . . 4.260 3.459 2.448 4.379 0.119 16 0 "[ . 1 . 2 ]" 1 15 1 1 MET HG3 1 3 ILE HG12 . . 4.800 3.863 2.819 4.916 0.116 5 0 "[ . 1 . 2 ]" 1 16 1 1 MET HG3 1 32 VAL QG . . 4.170 3.175 2.324 4.116 . 0 0 "[ . 1 . 2 ]" 1 17 1 2 ILE H 1 2 ILE HB . . 3.700 2.828 2.573 3.066 . 0 0 "[ . 1 . 2 ]" 1 18 1 2 ILE H 1 2 ILE QG . . 4.110 2.720 2.436 2.997 . 0 0 "[ . 1 . 2 ]" 1 19 1 2 ILE H 1 66 GLU H . . 4.580 2.896 2.599 3.217 . 0 0 "[ . 1 . 2 ]" 1 20 1 2 ILE H 1 66 GLU QB . . 4.680 2.081 1.795 2.835 . 0 0 "[ . 1 . 2 ]" 1 21 1 2 ILE H 1 66 GLU QG . . 4.470 3.997 3.708 4.403 . 0 0 "[ . 1 . 2 ]" 1 22 1 2 ILE H 1 67 LEU H . . 4.600 3.240 3.014 3.610 . 0 0 "[ . 1 . 2 ]" 1 23 1 2 ILE HA 1 2 ILE MD . . 3.640 3.910 3.827 3.946 0.306 5 0 "[ . 1 . 2 ]" 1 24 1 2 ILE HA 1 2 ILE QG . . 3.490 2.615 2.525 2.770 . 0 0 "[ . 1 . 2 ]" 1 25 1 2 ILE HA 1 2 ILE MG . . 3.100 2.390 2.329 2.454 . 0 0 "[ . 1 . 2 ]" 1 26 1 2 ILE HA 1 3 ILE H . . 2.980 2.283 2.125 2.377 . 0 0 "[ . 1 . 2 ]" 1 27 1 2 ILE HA 1 3 ILE HB . . 4.770 4.186 3.899 4.456 . 0 0 "[ . 1 . 2 ]" 1 28 1 2 ILE HA 1 31 LYS H . . 5.500 4.758 4.600 4.882 . 0 0 "[ . 1 . 2 ]" 1 29 1 2 ILE HA 1 31 LYS HA . . 2.820 2.117 2.008 2.292 . 0 0 "[ . 1 . 2 ]" 1 30 1 2 ILE HA 1 31 LYS HG2 . . 4.780 3.337 2.790 3.806 . 0 0 "[ . 1 . 2 ]" 1 31 1 2 ILE HA 1 32 VAL H . . 4.250 4.124 3.753 4.337 0.087 16 0 "[ . 1 . 2 ]" 1 32 1 2 ILE HA 1 32 VAL QG . . 3.800 3.873 3.343 4.415 0.615 2 1 "[ + . 1 . 2 ]" 1 33 1 2 ILE HB 1 2 ILE MD . . 3.570 2.503 2.407 2.600 . 0 0 "[ . 1 . 2 ]" 1 34 1 2 ILE HB 1 3 ILE H . . 5.290 3.757 3.576 3.932 . 0 0 "[ . 1 . 2 ]" 1 35 1 2 ILE HB 1 29 PHE QD . . 4.700 3.485 3.098 3.752 . 0 0 "[ . 1 . 2 ]" 1 36 1 2 ILE HB 1 65 ALA H . . 4.880 4.549 4.155 4.779 . 0 0 "[ . 1 . 2 ]" 1 37 1 2 ILE HB 1 65 ALA HA . . 2.470 2.031 1.943 2.140 . 0 0 "[ . 1 . 2 ]" 1 38 1 2 ILE HB 1 65 ALA MB . . 4.250 3.020 2.345 3.537 . 0 0 "[ . 1 . 2 ]" 1 39 1 2 ILE HB 1 66 GLU H . . 3.980 3.123 2.912 3.331 . 0 0 "[ . 1 . 2 ]" 1 40 1 2 ILE HB 1 66 GLU QG . . 5.180 5.226 4.763 5.540 0.360 2 0 "[ . 1 . 2 ]" 1 41 1 2 ILE HB 1 67 LEU H . . 5.500 4.154 3.940 4.430 . 0 0 "[ . 1 . 2 ]" 1 42 1 2 ILE MD 1 31 LYS HA . . 3.620 4.471 3.844 4.989 1.369 5 20 "[** *+**********-***** ]" 1 43 1 2 ILE MD 1 31 LYS QE . . 3.740 2.259 1.923 2.821 . 0 0 "[ . 1 . 2 ]" 1 44 1 2 ILE MD 1 31 LYS HG2 . . 4.390 3.198 2.590 3.476 . 0 0 "[ . 1 . 2 ]" 1 45 1 2 ILE MD 1 64 GLY H . . 5.500 4.579 4.233 4.909 . 0 0 "[ . 1 . 2 ]" 1 46 1 2 ILE MD 1 64 GLY HA2 . . 4.290 4.215 3.788 4.723 0.433 15 0 "[ . 1 . 2 ]" 1 47 1 2 ILE MD 1 65 ALA H . . 4.800 3.834 3.438 4.240 . 0 0 "[ . 1 . 2 ]" 1 48 1 2 ILE MD 1 66 GLU QB . . 5.290 5.031 4.784 5.242 . 0 0 "[ . 1 . 2 ]" 1 49 1 2 ILE QG 1 3 ILE H . . 4.670 4.373 4.265 4.526 . 0 0 "[ . 1 . 2 ]" 1 50 1 2 ILE QG 1 31 LYS HA . . 3.790 3.206 2.621 3.812 0.022 7 0 "[ . 1 . 2 ]" 1 51 1 2 ILE QG 1 66 GLU H . . 5.500 4.215 3.757 4.511 . 0 0 "[ . 1 . 2 ]" 1 52 1 2 ILE QG 1 66 GLU QB . . 4.980 3.875 3.552 4.380 . 0 0 "[ . 1 . 2 ]" 1 53 1 2 ILE MG 1 3 ILE H . . 3.450 2.231 2.093 2.420 . 0 0 "[ . 1 . 2 ]" 1 54 1 2 ILE MG 1 29 PHE HB2 . . 4.720 3.573 3.434 3.738 . 0 0 "[ . 1 . 2 ]" 1 55 1 2 ILE MG 1 29 PHE HB3 . . 3.790 2.204 2.055 2.362 . 0 0 "[ . 1 . 2 ]" 1 56 1 2 ILE MG 1 29 PHE QD . . 3.080 2.072 2.003 2.174 . 0 0 "[ . 1 . 2 ]" 1 57 1 2 ILE MG 1 29 PHE HZ . . 5.140 4.957 4.718 5.245 0.105 3 0 "[ . 1 . 2 ]" 1 58 1 2 ILE MG 1 30 VAL H . . 3.960 3.495 2.523 3.824 . 0 0 "[ . 1 . 2 ]" 1 59 1 2 ILE MG 1 30 VAL HA . . 4.350 4.179 3.781 4.426 0.076 12 0 "[ . 1 . 2 ]" 1 60 1 2 ILE MG 1 65 ALA HA . . 3.000 3.424 3.230 3.486 0.486 16 0 "[ . 1 . 2 ]" 1 61 1 2 ILE MG 1 66 GLU H . . 4.880 4.469 4.271 4.615 . 0 0 "[ . 1 . 2 ]" 1 62 1 2 ILE MG 1 67 LEU H . . 4.180 4.950 4.791 5.148 0.968 19 22 [*************-****+***] 1 63 1 3 ILE H 1 3 ILE HB . . 3.600 2.428 2.211 2.640 . 0 0 "[ . 1 . 2 ]" 1 64 1 3 ILE H 1 3 ILE MD . . 4.050 3.360 2.734 3.687 . 0 0 "[ . 1 . 2 ]" 1 65 1 3 ILE H 1 3 ILE HG12 . . 4.090 4.251 4.099 4.395 0.305 7 0 "[ . 1 . 2 ]" 1 66 1 3 ILE H 1 3 ILE HG13 . . 4.810 2.995 2.812 3.275 . 0 0 "[ . 1 . 2 ]" 1 67 1 3 ILE H 1 3 ILE MG . . 4.540 3.744 3.600 3.832 . 0 0 "[ . 1 . 2 ]" 1 68 1 3 ILE H 1 4 ALA H . . 5.320 4.034 3.928 4.206 . 0 0 "[ . 1 . 2 ]" 1 69 1 3 ILE H 1 4 ALA HA . . 5.500 4.619 4.472 4.733 . 0 0 "[ . 1 . 2 ]" 1 70 1 3 ILE H 1 29 PHE HB3 . . 5.500 4.472 4.253 4.663 . 0 0 "[ . 1 . 2 ]" 1 71 1 3 ILE H 1 29 PHE QD . . 5.500 3.009 2.844 3.120 . 0 0 "[ . 1 . 2 ]" 1 72 1 3 ILE H 1 30 VAL H . . 4.080 3.083 2.436 3.396 . 0 0 "[ . 1 . 2 ]" 1 73 1 3 ILE H 1 30 VAL HA . . 5.500 4.648 4.561 4.753 . 0 0 "[ . 1 . 2 ]" 1 74 1 3 ILE H 1 30 VAL HB . . 4.110 3.754 3.523 4.062 . 0 0 "[ . 1 . 2 ]" 1 75 1 3 ILE H 1 31 LYS HA . . 4.310 3.417 3.139 3.602 . 0 0 "[ . 1 . 2 ]" 1 76 1 3 ILE H 1 65 ALA HA . . 5.500 5.532 5.014 5.844 0.344 13 0 "[ . 1 . 2 ]" 1 77 1 3 ILE H 1 66 GLU H . . 5.500 5.260 5.035 5.486 . 0 0 "[ . 1 . 2 ]" 1 78 1 3 ILE H 1 67 LEU H . . 5.500 4.884 4.782 4.999 . 0 0 "[ . 1 . 2 ]" 1 79 1 3 ILE HA 1 3 ILE MD . . 4.530 3.878 3.760 3.940 . 0 0 "[ . 1 . 2 ]" 1 80 1 3 ILE HA 1 3 ILE HG12 . . 3.800 2.923 2.642 3.416 . 0 0 "[ . 1 . 2 ]" 1 81 1 3 ILE HA 1 3 ILE HG13 . . 3.450 2.642 2.525 2.769 . 0 0 "[ . 1 . 2 ]" 1 82 1 3 ILE HA 1 3 ILE MG . . 3.200 2.445 2.316 2.661 . 0 0 "[ . 1 . 2 ]" 1 83 1 3 ILE HA 1 4 ALA H . . 3.020 2.179 2.111 2.254 . 0 0 "[ . 1 . 2 ]" 1 84 1 3 ILE HA 1 4 ALA HA . . 4.710 4.501 4.455 4.527 . 0 0 "[ . 1 . 2 ]" 1 85 1 3 ILE HA 1 4 ALA MB . . 4.490 4.173 4.013 4.324 . 0 0 "[ . 1 . 2 ]" 1 86 1 3 ILE HA 1 30 VAL H . . 5.500 4.834 4.541 5.050 . 0 0 "[ . 1 . 2 ]" 1 87 1 3 ILE HA 1 66 GLU H . . 5.440 4.497 4.057 4.788 . 0 0 "[ . 1 . 2 ]" 1 88 1 3 ILE HA 1 67 LEU QB . . 4.080 2.453 2.118 2.893 . 0 0 "[ . 1 . 2 ]" 1 89 1 3 ILE HA 1 68 VAL HA . . 4.300 3.459 3.207 3.662 . 0 0 "[ . 1 . 2 ]" 1 90 1 3 ILE HB 1 3 ILE MD . . 3.100 2.230 2.153 2.277 . 0 0 "[ . 1 . 2 ]" 1 91 1 3 ILE HB 1 4 ALA H . . 4.700 4.433 4.347 4.506 . 0 0 "[ . 1 . 2 ]" 1 92 1 3 ILE HB 1 30 VAL H . . 4.340 3.257 3.080 3.435 . 0 0 "[ . 1 . 2 ]" 1 93 1 3 ILE HB 1 30 VAL HB . . 3.400 2.510 2.134 2.754 . 0 0 "[ . 1 . 2 ]" 1 94 1 3 ILE MD 1 30 VAL H . . 4.980 4.668 4.053 4.892 . 0 0 "[ . 1 . 2 ]" 1 95 1 3 ILE MD 1 30 VAL HB . . 3.430 3.261 2.994 3.336 . 0 0 "[ . 1 . 2 ]" 1 96 1 3 ILE MD 1 67 LEU QD . . 3.850 3.288 2.840 3.701 . 0 0 "[ . 1 . 2 ]" 1 97 1 3 ILE MD 1 100 VAL HA . . 4.310 4.053 3.342 4.806 0.496 12 0 "[ . 1 . 2 ]" 1 98 1 3 ILE MD 1 103 TYR QD . . 3.670 3.209 2.455 3.878 0.208 10 0 "[ . 1 . 2 ]" 1 99 1 3 ILE MD 1 103 TYR QE . . 3.710 3.089 2.316 3.889 0.179 12 0 "[ . 1 . 2 ]" 1 100 1 3 ILE MD 1 104 LEU QD . . 3.050 2.883 2.293 3.749 0.699 1 2 "[+ . - . 2 ]" 1 101 1 3 ILE HG12 1 4 ALA H . . 5.340 4.964 4.676 5.488 0.148 7 0 "[ . 1 . 2 ]" 1 102 1 3 ILE HG12 1 67 LEU H . . 5.500 4.851 4.485 5.379 . 0 0 "[ . 1 . 2 ]" 1 103 1 3 ILE HG12 1 67 LEU QD . . 4.290 2.130 2.029 2.423 . 0 0 "[ . 1 . 2 ]" 1 104 1 3 ILE HG13 1 4 ALA H . . 4.680 4.785 4.755 4.806 0.126 20 0 "[ . 1 . 2 ]" 1 105 1 3 ILE HG13 1 67 LEU QB . . 3.990 2.639 2.347 3.125 . 0 0 "[ . 1 . 2 ]" 1 106 1 3 ILE HG13 1 67 LEU QD . . 4.750 3.320 2.971 3.601 . 0 0 "[ . 1 . 2 ]" 1 107 1 3 ILE MG 1 4 ALA H . . 3.140 3.254 3.148 3.277 0.137 12 0 "[ . 1 . 2 ]" 1 108 1 3 ILE MG 1 4 ALA HA . . 4.490 4.146 3.861 4.352 . 0 0 "[ . 1 . 2 ]" 1 109 1 3 ILE MG 1 67 LEU QD . . 3.990 2.334 2.006 3.125 . 0 0 "[ . 1 . 2 ]" 1 110 1 3 ILE MG 1 68 VAL HA . . 3.590 3.510 3.186 3.802 0.212 20 0 "[ . 1 . 2 ]" 1 111 1 3 ILE MG 1 69 ILE H . . 3.830 3.487 3.096 3.833 0.003 11 0 "[ . 1 . 2 ]" 1 112 1 3 ILE MG 1 69 ILE MD . . 3.490 2.057 1.841 2.582 . 0 0 "[ . 1 . 2 ]" 1 113 1 4 ALA H 1 4 ALA MB . . 3.310 2.277 2.115 2.430 . 0 0 "[ . 1 . 2 ]" 1 114 1 4 ALA H 1 29 PHE QD . . 5.290 3.118 2.958 3.242 . 0 0 "[ . 1 . 2 ]" 1 115 1 4 ALA H 1 30 VAL H . . 5.500 4.890 4.686 5.127 . 0 0 "[ . 1 . 2 ]" 1 116 1 4 ALA H 1 66 GLU H . . 5.500 4.917 4.792 5.216 . 0 0 "[ . 1 . 2 ]" 1 117 1 4 ALA H 1 67 LEU H . . 4.770 4.088 3.913 4.248 . 0 0 "[ . 1 . 2 ]" 1 118 1 4 ALA H 1 68 VAL HA . . 3.500 2.175 2.061 2.343 . 0 0 "[ . 1 . 2 ]" 1 119 1 4 ALA H 1 68 VAL HB . . 4.870 4.960 4.884 5.013 0.143 9 0 "[ . 1 . 2 ]" 1 120 1 4 ALA H 1 68 VAL QG . . 4.980 2.956 2.715 3.144 . 0 0 "[ . 1 . 2 ]" 1 121 1 4 ALA H 1 69 ILE H . . 4.490 3.854 3.687 4.040 . 0 0 "[ . 1 . 2 ]" 1 122 1 4 ALA H 1 69 ILE HA . . 5.300 6.413 6.188 6.655 1.355 19 22 [-*****************+***] 1 123 1 4 ALA H 1 69 ILE HB . . 4.540 5.635 5.283 5.987 1.447 12 22 [-**********+**********] 1 124 1 4 ALA HA 1 5 ILE H . . 3.020 2.207 2.133 2.295 . 0 0 "[ . 1 . 2 ]" 1 125 1 4 ALA HA 1 5 ILE HG13 . . 5.000 3.872 3.331 4.142 . 0 0 "[ . 1 . 2 ]" 1 126 1 4 ALA HA 1 28 ALA H . . 5.110 4.646 4.067 4.967 . 0 0 "[ . 1 . 2 ]" 1 127 1 4 ALA HA 1 29 PHE H . . 5.500 4.270 4.023 4.515 . 0 0 "[ . 1 . 2 ]" 1 128 1 4 ALA HA 1 29 PHE HA . . 3.550 2.128 1.993 2.230 . 0 0 "[ . 1 . 2 ]" 1 129 1 4 ALA HA 1 29 PHE QD . . 3.630 2.834 2.544 3.208 . 0 0 "[ . 1 . 2 ]" 1 130 1 4 ALA HA 1 30 VAL H . . 4.270 3.520 3.301 3.777 . 0 0 "[ . 1 . 2 ]" 1 131 1 4 ALA HA 1 30 VAL QG . . 5.170 4.431 4.060 4.909 . 0 0 "[ . 1 . 2 ]" 1 132 1 4 ALA MB 1 5 ILE H . . 3.530 2.882 2.635 3.173 . 0 0 "[ . 1 . 2 ]" 1 133 1 4 ALA MB 1 5 ILE HA . . 4.880 3.754 3.584 3.997 . 0 0 "[ . 1 . 2 ]" 1 134 1 4 ALA MB 1 27 PHE QD . . 4.480 3.779 3.132 4.346 . 0 0 "[ . 1 . 2 ]" 1 135 1 4 ALA MB 1 29 PHE HA . . 4.350 3.456 3.071 3.710 . 0 0 "[ . 1 . 2 ]" 1 136 1 4 ALA MB 1 29 PHE HB3 . . 5.380 4.779 4.428 5.036 . 0 0 "[ . 1 . 2 ]" 1 137 1 4 ALA MB 1 29 PHE QD . . 2.900 2.997 2.856 3.070 0.170 5 0 "[ . 1 . 2 ]" 1 138 1 4 ALA MB 1 68 VAL HA . . 3.310 2.749 2.395 3.180 . 0 0 "[ . 1 . 2 ]" 1 139 1 4 ALA MB 1 68 VAL QG . . 3.440 1.857 1.801 1.924 . 0 0 "[ . 1 . 2 ]" 1 140 1 5 ILE H 1 5 ILE HB . . 3.550 2.813 2.656 3.015 . 0 0 "[ . 1 . 2 ]" 1 141 1 5 ILE H 1 5 ILE MD . . 4.990 4.248 3.840 4.529 . 0 0 "[ . 1 . 2 ]" 1 142 1 5 ILE H 1 5 ILE HG12 . . 4.560 4.214 3.845 4.451 . 0 0 "[ . 1 . 2 ]" 1 143 1 5 ILE H 1 5 ILE HG13 . . 3.950 3.191 2.813 3.448 . 0 0 "[ . 1 . 2 ]" 1 144 1 5 ILE H 1 6 PRO HD3 . . 5.500 4.202 3.977 4.460 . 0 0 "[ . 1 . 2 ]" 1 145 1 5 ILE H 1 27 PHE HA . . 4.820 3.877 3.745 3.969 . 0 0 "[ . 1 . 2 ]" 1 146 1 5 ILE H 1 27 PHE QB . . 5.280 3.966 3.888 4.058 . 0 0 "[ . 1 . 2 ]" 1 147 1 5 ILE H 1 27 PHE QD . . 4.840 4.331 3.911 4.905 0.065 21 0 "[ . 1 . 2 ]" 1 148 1 5 ILE H 1 28 ALA H . . 3.940 2.961 2.440 3.184 . 0 0 "[ . 1 . 2 ]" 1 149 1 5 ILE H 1 28 ALA MB . . 3.970 3.264 2.982 3.620 . 0 0 "[ . 1 . 2 ]" 1 150 1 5 ILE H 1 29 PHE HA . . 4.370 3.608 3.461 3.786 . 0 0 "[ . 1 . 2 ]" 1 151 1 5 ILE H 1 29 PHE HB2 . . 5.220 5.581 5.346 5.771 0.551 19 3 "[ . 1 - . +* ]" 1 152 1 5 ILE H 1 29 PHE QD . . 5.220 4.801 4.604 5.107 . 0 0 "[ . 1 . 2 ]" 1 153 1 5 ILE H 1 30 VAL H . . 5.370 4.503 4.195 5.223 . 0 0 "[ . 1 . 2 ]" 1 154 1 5 ILE H 1 68 VAL QG . . 5.500 4.419 4.098 4.627 . 0 0 "[ . 1 . 2 ]" 1 155 1 5 ILE H 1 69 ILE H . . 5.500 4.893 4.801 5.013 . 0 0 "[ . 1 . 2 ]" 1 156 1 5 ILE HA 1 5 ILE MD . . 4.350 3.861 3.777 3.997 . 0 0 "[ . 1 . 2 ]" 1 157 1 5 ILE HA 1 5 ILE HG12 . . 3.630 2.546 2.364 2.839 . 0 0 "[ . 1 . 2 ]" 1 158 1 5 ILE HA 1 5 ILE HG13 . . 3.610 2.982 2.654 3.279 . 0 0 "[ . 1 . 2 ]" 1 159 1 5 ILE HA 1 5 ILE MG . . 3.200 2.392 2.257 2.459 . 0 0 "[ . 1 . 2 ]" 1 160 1 5 ILE HA 1 6 PRO HD2 . . 3.380 2.215 2.072 2.504 . 0 0 "[ . 1 . 2 ]" 1 161 1 5 ILE HA 1 6 PRO HD3 . . 3.490 2.424 2.115 2.621 . 0 0 "[ . 1 . 2 ]" 1 162 1 5 ILE HA 1 6 PRO HG2 . . 5.130 4.406 4.244 4.593 . 0 0 "[ . 1 . 2 ]" 1 163 1 5 ILE HA 1 6 PRO HG3 . . 5.150 4.534 4.401 4.638 . 0 0 "[ . 1 . 2 ]" 1 164 1 5 ILE HA 1 69 ILE H . . 4.000 3.313 3.144 3.558 . 0 0 "[ . 1 . 2 ]" 1 165 1 5 ILE HA 1 69 ILE HB . . 4.050 3.864 3.630 4.119 0.069 18 0 "[ . 1 . 2 ]" 1 166 1 5 ILE HA 1 70 VAL HA . . 4.330 4.148 3.965 4.479 0.149 4 0 "[ . 1 . 2 ]" 1 167 1 5 ILE HA 1 70 VAL MG1 . . 4.090 3.606 3.393 3.787 . 0 0 "[ . 1 . 2 ]" 1 168 1 5 ILE HB 1 5 ILE MD . . 3.180 2.451 2.310 2.588 . 0 0 "[ . 1 . 2 ]" 1 169 1 5 ILE HB 1 28 ALA H . . 4.250 3.610 3.428 3.723 . 0 0 "[ . 1 . 2 ]" 1 170 1 5 ILE HB 1 28 ALA MB . . 3.510 2.280 2.094 2.518 . 0 0 "[ . 1 . 2 ]" 1 171 1 5 ILE HB 1 96 VAL HA . . 4.130 4.202 3.874 4.488 0.358 15 0 "[ . 1 . 2 ]" 1 172 1 5 ILE MD 1 28 ALA H . . 5.500 5.370 4.879 5.570 0.070 17 0 "[ . 1 . 2 ]" 1 173 1 5 ILE MD 1 96 VAL HA . . 3.270 2.295 2.017 2.529 . 0 0 "[ . 1 . 2 ]" 1 174 1 5 ILE MD 1 96 VAL HB . . 3.390 4.195 4.007 4.312 0.922 17 22 [****************+-****] 1 175 1 5 ILE MD 1 99 VAL H . . 5.500 4.199 3.863 4.637 . 0 0 "[ . 1 . 2 ]" 1 176 1 5 ILE MD 1 100 VAL H . . 4.770 3.371 3.007 4.045 . 0 0 "[ . 1 . 2 ]" 1 177 1 5 ILE MD 1 100 VAL MG2 . . 2.790 2.017 1.904 2.230 . 0 0 "[ . 1 . 2 ]" 1 178 1 5 ILE HG12 1 5 ILE MG . . 3.050 2.340 2.197 2.433 . 0 0 "[ . 1 . 2 ]" 1 179 1 5 ILE HG12 1 69 ILE H . . 4.290 3.440 3.139 3.762 . 0 0 "[ . 1 . 2 ]" 1 180 1 5 ILE HG12 1 69 ILE HB . . 3.670 2.224 2.053 2.819 . 0 0 "[ . 1 . 2 ]" 1 181 1 5 ILE HG13 1 28 ALA H . . 5.500 5.455 5.063 5.573 0.073 13 0 "[ . 1 . 2 ]" 1 182 1 5 ILE HG13 1 69 ILE H . . 4.800 3.826 3.235 4.338 . 0 0 "[ . 1 . 2 ]" 1 183 1 5 ILE HG13 1 69 ILE MD . . 5.120 3.790 3.164 5.230 0.110 18 0 "[ . 1 . 2 ]" 1 184 1 5 ILE MG 1 6 PRO HD2 . . 3.530 2.627 2.253 2.915 . 0 0 "[ . 1 . 2 ]" 1 185 1 5 ILE MG 1 6 PRO HD3 . . 3.800 3.802 3.352 3.974 0.174 21 0 "[ . 1 . 2 ]" 1 186 1 5 ILE MG 1 17 ILE MD . . 3.360 2.165 1.897 2.355 . 0 0 "[ . 1 . 2 ]" 1 187 1 5 ILE MG 1 17 ILE HG13 . . 3.720 2.259 2.114 2.511 . 0 0 "[ . 1 . 2 ]" 1 188 1 5 ILE MG 1 18 SER H . . 4.880 3.868 3.682 4.163 . 0 0 "[ . 1 . 2 ]" 1 189 1 5 ILE MG 1 28 ALA H . . 5.260 4.255 4.072 4.474 . 0 0 "[ . 1 . 2 ]" 1 190 1 5 ILE MG 1 96 VAL HA . . 3.530 2.813 2.509 3.166 . 0 0 "[ . 1 . 2 ]" 1 191 1 6 PRO HA 1 7 VAL H . . 3.100 2.248 2.171 2.293 . 0 0 "[ . 1 . 2 ]" 1 192 1 6 PRO HA 1 7 VAL QG . . 4.250 3.420 3.155 3.635 . 0 0 "[ . 1 . 2 ]" 1 193 1 6 PRO HA 1 18 SER H . . 4.910 4.875 4.748 5.024 0.114 11 0 "[ . 1 . 2 ]" 1 194 1 6 PRO HA 1 24 ALA MB . . 4.260 2.887 2.658 3.202 . 0 0 "[ . 1 . 2 ]" 1 195 1 6 PRO HA 1 27 PHE HA . . 3.400 2.583 2.373 2.775 . 0 0 "[ . 1 . 2 ]" 1 196 1 6 PRO HA 1 27 PHE QD . . 3.480 2.220 2.026 2.506 . 0 0 "[ . 1 . 2 ]" 1 197 1 6 PRO HA 1 27 PHE QE . . 4.120 3.562 3.331 3.817 . 0 0 "[ . 1 . 2 ]" 1 198 1 6 PRO HA 1 28 ALA H . . 3.920 3.641 3.391 3.826 . 0 0 "[ . 1 . 2 ]" 1 199 1 6 PRO HB2 1 7 VAL H . . 4.660 3.765 3.578 3.980 . 0 0 "[ . 1 . 2 ]" 1 200 1 6 PRO HB2 1 18 SER H . . 5.500 3.823 3.590 4.276 . 0 0 "[ . 1 . 2 ]" 1 201 1 6 PRO HB2 1 18 SER QB . . 2.950 2.507 2.055 2.820 . 0 0 "[ . 1 . 2 ]" 1 202 1 6 PRO HB2 1 21 PHE QD . . 4.290 4.315 4.084 4.425 0.135 21 0 "[ . 1 . 2 ]" 1 203 1 6 PRO HB2 1 24 ALA H . . 5.500 5.017 4.698 5.487 . 0 0 "[ . 1 . 2 ]" 1 204 1 6 PRO HB2 1 24 ALA MB . . 3.270 2.148 2.011 2.527 . 0 0 "[ . 1 . 2 ]" 1 205 1 6 PRO HB2 1 27 PHE QE . . 4.850 3.718 3.509 3.928 . 0 0 "[ . 1 . 2 ]" 1 206 1 6 PRO HB3 1 7 VAL H . . 4.580 4.238 4.107 4.376 . 0 0 "[ . 1 . 2 ]" 1 207 1 6 PRO HB3 1 21 PHE QD . . 4.190 2.891 2.658 3.233 . 0 0 "[ . 1 . 2 ]" 1 208 1 6 PRO HB3 1 21 PHE QE . . 4.260 4.350 3.949 4.454 0.194 16 0 "[ . 1 . 2 ]" 1 209 1 6 PRO HB3 1 24 ALA MB . . 3.470 2.403 2.221 2.663 . 0 0 "[ . 1 . 2 ]" 1 210 1 6 PRO HB3 1 27 PHE HA . . 4.510 4.400 4.155 4.630 0.120 2 0 "[ . 1 . 2 ]" 1 211 1 6 PRO HB3 1 27 PHE QD . . 4.590 2.757 2.463 3.104 . 0 0 "[ . 1 . 2 ]" 1 212 1 6 PRO HB3 1 27 PHE QE . . 3.660 2.177 2.006 2.267 . 0 0 "[ . 1 . 2 ]" 1 213 1 6 PRO HD2 1 17 ILE MD . . 4.560 3.047 2.590 3.144 . 0 0 "[ . 1 . 2 ]" 1 214 1 6 PRO HD2 1 18 SER H . . 5.500 4.490 4.035 4.719 . 0 0 "[ . 1 . 2 ]" 1 215 1 6 PRO HD2 1 70 VAL HA . . 3.640 2.692 2.454 3.036 . 0 0 "[ . 1 . 2 ]" 1 216 1 6 PRO HD2 1 70 VAL MG1 . . 3.800 2.878 2.656 3.214 . 0 0 "[ . 1 . 2 ]" 1 217 1 6 PRO HD3 1 27 PHE QD . . 4.320 4.004 3.551 4.497 0.177 17 0 "[ . 1 . 2 ]" 1 218 1 6 PRO HD3 1 68 VAL QG . . 3.980 3.206 2.925 3.626 . 0 0 "[ . 1 . 2 ]" 1 219 1 6 PRO HD3 1 69 ILE H . . 4.810 4.190 3.825 4.621 . 0 0 "[ . 1 . 2 ]" 1 220 1 6 PRO HD3 1 70 VAL H . . 5.500 5.418 5.056 5.584 0.084 21 0 "[ . 1 . 2 ]" 1 221 1 6 PRO HD3 1 70 VAL MG1 . . 3.020 2.153 2.048 2.298 . 0 0 "[ . 1 . 2 ]" 1 222 1 6 PRO HD3 1 71 ARG H . . 5.500 5.245 4.695 5.547 0.047 21 0 "[ . 1 . 2 ]" 1 223 1 6 PRO HG2 1 17 ILE MD . . 5.400 3.866 3.389 4.351 . 0 0 "[ . 1 . 2 ]" 1 224 1 6 PRO HG2 1 17 ILE HG12 . . 4.910 3.668 3.335 4.068 . 0 0 "[ . 1 . 2 ]" 1 225 1 6 PRO HG2 1 18 SER H . . 5.090 3.492 3.236 3.847 . 0 0 "[ . 1 . 2 ]" 1 226 1 6 PRO HG2 1 18 SER QB . . 4.320 3.216 2.477 3.665 . 0 0 "[ . 1 . 2 ]" 1 227 1 6 PRO HG2 1 21 PHE QD . . 4.280 4.336 4.027 4.460 0.180 16 0 "[ . 1 . 2 ]" 1 228 1 6 PRO HG2 1 70 VAL MG1 . . 4.770 3.452 3.129 3.670 . 0 0 "[ . 1 . 2 ]" 1 229 1 6 PRO HG2 1 71 ARG H . . 5.500 3.651 3.299 4.158 . 0 0 "[ . 1 . 2 ]" 1 230 1 6 PRO HG3 1 18 SER H . . 5.500 5.207 4.945 5.555 0.055 18 0 "[ . 1 . 2 ]" 1 231 1 6 PRO HG3 1 21 PHE HA . . 4.660 2.921 2.527 3.497 . 0 0 "[ . 1 . 2 ]" 1 232 1 6 PRO HG3 1 21 PHE QD . . 4.330 2.640 2.268 2.800 . 0 0 "[ . 1 . 2 ]" 1 233 1 6 PRO HG3 1 24 ALA MB . . 4.240 3.882 3.731 4.048 . 0 0 "[ . 1 . 2 ]" 1 234 1 6 PRO HG3 1 27 PHE QE . . 3.840 3.909 3.517 4.011 0.171 17 0 "[ . 1 . 2 ]" 1 235 1 6 PRO HG3 1 70 VAL MG1 . . 4.400 2.421 2.156 2.703 . 0 0 "[ . 1 . 2 ]" 1 236 1 6 PRO HG3 1 71 ARG H . . 5.500 4.053 3.787 4.570 . 0 0 "[ . 1 . 2 ]" 1 237 1 7 VAL H 1 7 VAL QG . . 3.230 2.062 1.903 2.163 . 0 0 "[ . 1 . 2 ]" 1 238 1 7 VAL H 1 9 GLU H . . 5.410 5.174 4.876 5.511 0.101 16 0 "[ . 1 . 2 ]" 1 239 1 7 VAL H 1 17 ILE HA . . 5.230 4.856 4.682 5.028 . 0 0 "[ . 1 . 2 ]" 1 240 1 7 VAL H 1 18 SER H . . 4.890 4.334 4.155 4.639 . 0 0 "[ . 1 . 2 ]" 1 241 1 7 VAL H 1 18 SER QB . . 4.700 3.693 3.338 4.164 . 0 0 "[ . 1 . 2 ]" 1 242 1 7 VAL H 1 24 ALA MB . . 3.630 3.266 2.818 3.960 0.330 15 0 "[ . 1 . 2 ]" 1 243 1 7 VAL H 1 25 PRO HD2 . . 5.400 4.435 3.970 5.007 . 0 0 "[ . 1 . 2 ]" 1 244 1 7 VAL H 1 26 TYR H . . 4.100 3.433 3.210 3.835 . 0 0 "[ . 1 . 2 ]" 1 245 1 7 VAL H 1 26 TYR HA . . 5.500 5.050 4.782 5.505 0.005 18 0 "[ . 1 . 2 ]" 1 246 1 7 VAL H 1 26 TYR HB2 . . 5.360 3.299 3.025 3.637 . 0 0 "[ . 1 . 2 ]" 1 247 1 7 VAL H 1 26 TYR HB3 . . 5.500 4.496 3.896 5.013 . 0 0 "[ . 1 . 2 ]" 1 248 1 7 VAL H 1 26 TYR QD . . 5.500 4.661 4.299 4.897 . 0 0 "[ . 1 . 2 ]" 1 249 1 7 VAL H 1 27 PHE H . . 5.500 4.845 4.418 5.245 . 0 0 "[ . 1 . 2 ]" 1 250 1 7 VAL H 1 27 PHE HA . . 3.680 3.382 2.971 3.680 . 0 0 "[ . 1 . 2 ]" 1 251 1 7 VAL H 1 27 PHE QD . . 5.500 4.093 3.605 4.441 . 0 0 "[ . 1 . 2 ]" 1 252 1 7 VAL H 1 28 ALA H . . 4.620 3.762 3.348 4.086 . 0 0 "[ . 1 . 2 ]" 1 253 1 7 VAL HA 1 7 VAL HB . . 2.740 2.494 2.450 2.592 . 0 0 "[ . 1 . 2 ]" 1 254 1 7 VAL HA 1 7 VAL QG . . 2.840 2.223 2.123 2.331 . 0 0 "[ . 1 . 2 ]" 1 255 1 7 VAL HA 1 8 SER H . . 3.140 2.280 2.185 2.418 . 0 0 "[ . 1 . 2 ]" 1 256 1 7 VAL HA 1 9 GLU H . . 4.200 4.120 3.965 4.454 0.254 16 0 "[ . 1 . 2 ]" 1 257 1 7 VAL HA 1 17 ILE H . . 5.170 4.623 4.499 4.923 . 0 0 "[ . 1 . 2 ]" 1 258 1 7 VAL HA 1 17 ILE HA . . 3.350 2.322 2.077 2.506 . 0 0 "[ . 1 . 2 ]" 1 259 1 7 VAL HA 1 17 ILE HB . . 4.970 4.801 4.617 4.966 . 0 0 "[ . 1 . 2 ]" 1 260 1 7 VAL HA 1 17 ILE HG12 . . 4.620 4.814 4.535 5.268 0.648 17 1 "[ . 1 . + 2 ]" 1 261 1 7 VAL HA 1 18 SER H . . 3.050 2.313 2.027 2.615 . 0 0 "[ . 1 . 2 ]" 1 262 1 7 VAL HA 1 18 SER QB . . 3.750 2.831 2.572 3.172 . 0 0 "[ . 1 . 2 ]" 1 263 1 7 VAL HB 1 8 SER H . . 3.430 2.597 2.299 2.919 . 0 0 "[ . 1 . 2 ]" 1 264 1 7 VAL HB 1 9 GLU H . . 3.430 2.592 2.337 2.824 . 0 0 "[ . 1 . 2 ]" 1 265 1 7 VAL HB 1 15 SER HA . . 4.320 3.676 3.378 3.872 . 0 0 "[ . 1 . 2 ]" 1 266 1 7 VAL HB 1 15 SER QB . . 3.920 2.428 2.126 2.994 . 0 0 "[ . 1 . 2 ]" 1 267 1 7 VAL HB 1 18 SER H . . 5.110 4.756 4.471 5.049 . 0 0 "[ . 1 . 2 ]" 1 268 1 7 VAL QG 1 8 SER H . . 3.480 3.250 3.109 3.380 . 0 0 "[ . 1 . 2 ]" 1 269 1 7 VAL QG 1 9 GLU H . . 3.810 2.978 2.774 3.247 . 0 0 "[ . 1 . 2 ]" 1 270 1 7 VAL QG 1 10 ASN H . . 5.050 4.554 4.050 5.043 . 0 0 "[ . 1 . 2 ]" 1 271 1 7 VAL QG 1 15 SER H . . 4.970 4.220 4.055 4.396 . 0 0 "[ . 1 . 2 ]" 1 272 1 7 VAL QG 1 15 SER HA . . 2.870 3.437 3.370 3.494 0.624 18 22 [*****************+**-*] 1 273 1 7 VAL QG 1 15 SER QB . . 3.090 1.791 1.746 1.849 . 0 0 "[ . 1 . 2 ]" 1 274 1 7 VAL QG 1 16 PRO HG2 . . 5.500 4.529 4.281 4.923 . 0 0 "[ . 1 . 2 ]" 1 275 1 7 VAL QG 1 17 ILE H . . 4.550 3.625 3.408 3.785 . 0 0 "[ . 1 . 2 ]" 1 276 1 7 VAL QG 1 17 ILE HA . . 2.850 2.253 2.033 2.507 . 0 0 "[ . 1 . 2 ]" 1 277 1 7 VAL QG 1 17 ILE HB . . 4.400 3.679 3.505 3.863 . 0 0 "[ . 1 . 2 ]" 1 278 1 7 VAL QG 1 18 SER QB . . 4.830 4.002 3.827 4.239 . 0 0 "[ . 1 . 2 ]" 1 279 1 7 VAL QG 1 24 ALA MB . . 4.720 4.267 3.995 4.655 . 0 0 "[ . 1 . 2 ]" 1 280 1 7 VAL QG 1 26 TYR H . . 3.900 3.706 3.282 3.969 0.069 15 0 "[ . 1 . 2 ]" 1 281 1 7 VAL QG 1 26 TYR HA . . 4.150 4.269 4.075 4.516 0.366 18 0 "[ . 1 . 2 ]" 1 282 1 7 VAL QG 1 26 TYR HB2 . . 2.920 1.996 1.889 2.074 . 0 0 "[ . 1 . 2 ]" 1 283 1 7 VAL QG 1 26 TYR HB3 . . 3.030 2.865 2.259 3.178 0.148 8 0 "[ . 1 . 2 ]" 1 284 1 7 VAL QG 1 26 TYR QD . . 3.110 3.053 2.506 3.282 0.172 4 0 "[ . 1 . 2 ]" 1 285 1 7 VAL QG 1 27 PHE HA . . 3.620 3.401 3.228 3.600 . 0 0 "[ . 1 . 2 ]" 1 286 1 7 VAL QG 1 28 ALA MB . . 3.150 2.302 2.120 2.617 . 0 0 "[ . 1 . 2 ]" 1 287 1 7 VAL QG 1 96 VAL H . . 4.860 3.699 3.479 3.969 . 0 0 "[ . 1 . 2 ]" 1 288 1 7 VAL QG 1 96 VAL MG2 . . 3.160 1.909 1.842 1.999 . 0 0 "[ . 1 . 2 ]" 1 289 1 8 SER H 1 8 SER QB . . 3.770 2.420 2.091 2.823 . 0 0 "[ . 1 . 2 ]" 1 290 1 8 SER H 1 9 GLU H . . 3.280 2.571 2.412 2.870 . 0 0 "[ . 1 . 2 ]" 1 291 1 8 SER H 1 9 GLU HB2 . . 5.500 4.820 4.603 5.317 . 0 0 "[ . 1 . 2 ]" 1 292 1 8 SER H 1 15 SER HA . . 4.670 5.263 4.947 5.543 0.873 17 16 "[* ******** ***+* *- ]" 1 293 1 8 SER H 1 16 PRO HB2 . . 4.860 4.294 3.918 4.653 . 0 0 "[ . 1 . 2 ]" 1 294 1 8 SER H 1 16 PRO HG2 . . 4.380 3.101 2.753 3.815 . 0 0 "[ . 1 . 2 ]" 1 295 1 8 SER H 1 17 ILE HA . . 4.530 3.774 3.531 3.992 . 0 0 "[ . 1 . 2 ]" 1 296 1 8 SER H 1 18 SER QB . . 4.660 3.348 2.948 3.670 . 0 0 "[ . 1 . 2 ]" 1 297 1 8 SER H 1 24 ALA MB . . 5.500 5.781 5.342 6.626 1.126 12 5 "[ - 1*+ ** 2 ]" 1 298 1 8 SER H 1 26 TYR H . . 5.500 5.993 5.686 6.541 1.041 12 9 "[* -** * + ** * 2 ]" 1 299 1 8 SER H 1 26 TYR QD . . 5.500 5.099 4.549 5.444 . 0 0 "[ . 1 . 2 ]" 1 300 1 8 SER HA 1 18 SER QB . . 3.890 3.261 2.700 3.789 . 0 0 "[ . 1 . 2 ]" 1 301 1 8 SER HA 1 24 ALA HA . . 4.870 4.797 4.358 5.408 0.538 12 1 "[ . 1 + . 2 ]" 1 302 1 8 SER HA 1 25 PRO HD2 . . 3.650 2.827 2.383 3.496 . 0 0 "[ . 1 . 2 ]" 1 303 1 8 SER HA 1 25 PRO HG2 . . 3.340 2.711 2.316 3.156 . 0 0 "[ . 1 . 2 ]" 1 304 1 8 SER HA 1 25 PRO HG3 . . 3.610 2.833 2.505 3.396 . 0 0 "[ . 1 . 2 ]" 1 305 1 8 SER QB 1 9 GLU H . . 4.610 3.111 2.821 3.891 . 0 0 "[ . 1 . 2 ]" 1 306 1 8 SER QB 1 9 GLU QG . . 3.220 2.773 2.344 3.541 0.321 4 0 "[ . 1 . 2 ]" 1 307 1 8 SER QB 1 18 SER QB . . 3.770 4.143 3.240 4.745 0.975 4 7 "[ *+** 1 *- 2 *]" 1 308 1 9 GLU H 1 9 GLU HB2 . . 3.930 2.789 2.531 2.966 . 0 0 "[ . 1 . 2 ]" 1 309 1 9 GLU H 1 9 GLU HB3 . . 3.860 3.823 3.688 3.935 0.075 13 0 "[ . 1 . 2 ]" 1 310 1 9 GLU H 1 9 GLU QG . . 4.300 3.348 2.990 3.839 . 0 0 "[ . 1 . 2 ]" 1 311 1 9 GLU H 1 10 ASN H . . 4.940 4.296 4.229 4.374 . 0 0 "[ . 1 . 2 ]" 1 312 1 9 GLU H 1 11 ARG H . . 5.500 4.689 3.866 5.346 . 0 0 "[ . 1 . 2 ]" 1 313 1 9 GLU H 1 11 ARG HG3 . . 5.500 4.380 3.980 4.889 . 0 0 "[ . 1 . 2 ]" 1 314 1 9 GLU H 1 15 SER HA . . 3.990 4.094 3.930 4.193 0.203 19 0 "[ . 1 . 2 ]" 1 315 1 9 GLU H 1 16 PRO QD . . 3.670 2.837 2.335 3.286 . 0 0 "[ . 1 . 2 ]" 1 316 1 9 GLU H 1 16 PRO HG2 . . 4.210 3.371 2.716 3.919 . 0 0 "[ . 1 . 2 ]" 1 317 1 9 GLU H 1 26 TYR QD . . 4.550 3.700 3.370 4.072 . 0 0 "[ . 1 . 2 ]" 1 318 1 9 GLU H 1 26 TYR QE . . 5.280 4.740 4.193 5.093 . 0 0 "[ . 1 . 2 ]" 1 319 1 9 GLU HA 1 9 GLU QG . . 3.850 2.568 2.149 3.018 . 0 0 "[ . 1 . 2 ]" 1 320 1 9 GLU HA 1 10 ASN H . . 2.790 2.366 2.236 2.543 . 0 0 "[ . 1 . 2 ]" 1 321 1 9 GLU HA 1 26 TYR QD . . 3.310 2.978 2.383 3.457 0.147 8 0 "[ . 1 . 2 ]" 1 322 1 9 GLU HA 1 26 TYR QE . . 3.050 2.396 2.200 2.582 . 0 0 "[ . 1 . 2 ]" 1 323 1 9 GLU HB2 1 10 ASN H . . 3.880 3.751 3.237 3.980 0.100 2 0 "[ . 1 . 2 ]" 1 324 1 9 GLU HB2 1 11 ARG HD2 . . 4.990 3.687 3.093 4.526 . 0 0 "[ . 1 . 2 ]" 1 325 1 9 GLU HB2 1 11 ARG HG3 . . 3.660 2.470 2.263 2.702 . 0 0 "[ . 1 . 2 ]" 1 326 1 9 GLU HB2 1 16 PRO QD . . 4.660 2.586 2.098 3.414 . 0 0 "[ . 1 . 2 ]" 1 327 1 9 GLU HB3 1 9 GLU QG . . 2.680 2.381 2.216 2.557 . 0 0 "[ . 1 . 2 ]" 1 328 1 9 GLU HB3 1 10 ASN H . . 3.780 2.545 2.099 2.945 . 0 0 "[ . 1 . 2 ]" 1 329 1 9 GLU HB3 1 16 PRO QD . . 5.140 4.000 3.534 4.882 . 0 0 "[ . 1 . 2 ]" 1 330 1 9 GLU QG 1 10 ASN H . . 4.820 3.991 3.603 4.358 . 0 0 "[ . 1 . 2 ]" 1 331 1 9 GLU QG 1 11 ARG HG3 . . 4.900 4.208 3.867 4.536 . 0 0 "[ . 1 . 2 ]" 1 332 1 9 GLU QG 1 16 PRO QD . . 4.760 4.036 3.281 4.753 . 0 0 "[ . 1 . 2 ]" 1 333 1 10 ASN H 1 10 ASN HB2 . . 3.530 3.026 2.470 3.634 0.104 17 0 "[ . 1 . 2 ]" 1 334 1 10 ASN H 1 10 ASN HB3 . . 3.290 2.609 2.228 3.077 . 0 0 "[ . 1 . 2 ]" 1 335 1 10 ASN H 1 11 ARG H . . 4.770 3.875 3.252 4.330 . 0 0 "[ . 1 . 2 ]" 1 336 1 10 ASN H 1 11 ARG HA . . 4.920 4.984 4.653 5.035 0.115 16 0 "[ . 1 . 2 ]" 1 337 1 10 ASN H 1 11 ARG HG2 . . 5.500 4.159 3.538 4.616 . 0 0 "[ . 1 . 2 ]" 1 338 1 10 ASN H 1 11 ARG HG3 . . 5.500 3.836 3.300 4.468 . 0 0 "[ . 1 . 2 ]" 1 339 1 10 ASN H 1 26 TYR QD . . 4.790 4.061 3.640 4.868 0.078 19 0 "[ . 1 . 2 ]" 1 340 1 10 ASN H 1 26 TYR QE . . 4.140 3.442 3.108 4.182 0.042 19 0 "[ . 1 . 2 ]" 1 341 1 10 ASN HA 1 10 ASN HB2 . . 2.950 2.472 2.330 2.567 . 0 0 "[ . 1 . 2 ]" 1 342 1 10 ASN HA 1 11 ARG H . . 3.040 2.354 2.122 2.792 . 0 0 "[ . 1 . 2 ]" 1 343 1 10 ASN HA 1 11 ARG HG2 . . 4.950 5.004 4.568 5.097 0.147 7 0 "[ . 1 . 2 ]" 1 344 1 10 ASN HA 1 12 GLY H . . 3.890 3.584 3.275 3.890 0.000 21 0 "[ . 1 . 2 ]" 1 345 1 10 ASN HA 1 42 VAL QG . . 3.100 2.502 2.254 2.894 . 0 0 "[ . 1 . 2 ]" 1 346 1 10 ASN HB2 1 11 ARG H . . 5.400 4.494 3.982 4.674 . 0 0 "[ . 1 . 2 ]" 1 347 1 10 ASN HB2 1 26 TYR QD . . 4.230 3.388 2.703 4.396 0.166 13 0 "[ . 1 . 2 ]" 1 348 1 10 ASN HB2 1 26 TYR QE . . 3.910 3.328 2.668 4.089 0.179 8 0 "[ . 1 . 2 ]" 1 349 1 10 ASN HB2 1 42 VAL QG . . 4.620 3.107 2.378 4.023 . 0 0 "[ . 1 . 2 ]" 1 350 1 10 ASN HB3 1 11 ARG H . . 5.220 4.528 4.383 4.679 . 0 0 "[ . 1 . 2 ]" 1 351 1 10 ASN HB3 1 12 GLY H . . 5.500 5.009 4.576 5.473 . 0 0 "[ . 1 . 2 ]" 1 352 1 10 ASN HB3 1 42 VAL QG . . 5.080 3.898 2.867 4.956 . 0 0 "[ . 1 . 2 ]" 1 353 1 11 ARG H 1 11 ARG HB2 . . 4.080 2.754 2.549 2.961 . 0 0 "[ . 1 . 2 ]" 1 354 1 11 ARG H 1 11 ARG HG2 . . 5.070 3.609 2.710 4.045 . 0 0 "[ . 1 . 2 ]" 1 355 1 11 ARG H 1 11 ARG HG3 . . 4.590 2.934 2.397 3.302 . 0 0 "[ . 1 . 2 ]" 1 356 1 11 ARG H 1 12 GLY H . . 3.370 2.781 2.248 3.395 0.025 4 0 "[ . 1 . 2 ]" 1 357 1 11 ARG H 1 12 GLY QA . . 4.800 4.281 3.923 4.907 0.107 20 0 "[ . 1 . 2 ]" 1 358 1 11 ARG H 1 14 ASP H . . 5.500 5.510 4.803 6.193 0.693 4 1 "[ +. 1 . 2 ]" 1 359 1 11 ARG H 1 15 SER H . . 4.390 3.784 3.261 4.454 0.064 4 0 "[ . 1 . 2 ]" 1 360 1 11 ARG H 1 15 SER HA . . 4.020 2.794 2.413 3.389 . 0 0 "[ . 1 . 2 ]" 1 361 1 11 ARG H 1 15 SER QB . . 4.590 3.079 2.778 3.848 . 0 0 "[ . 1 . 2 ]" 1 362 1 11 ARG H 1 42 VAL QG . . 4.810 3.406 2.667 4.220 . 0 0 "[ . 1 . 2 ]" 1 363 1 11 ARG HA 1 11 ARG HB3 . . 2.890 2.412 2.328 2.461 . 0 0 "[ . 1 . 2 ]" 1 364 1 11 ARG HA 1 11 ARG HG2 . . 3.470 2.560 2.396 2.827 . 0 0 "[ . 1 . 2 ]" 1 365 1 11 ARG HA 1 11 ARG HG3 . . 3.790 3.429 3.304 3.720 . 0 0 "[ . 1 . 2 ]" 1 366 1 11 ARG HA 1 12 GLY H . . 3.540 2.844 2.668 2.933 . 0 0 "[ . 1 . 2 ]" 1 367 1 11 ARG HA 1 15 SER H . . 5.500 4.861 4.707 5.104 . 0 0 "[ . 1 . 2 ]" 1 368 1 11 ARG HB2 1 11 ARG HD2 . . 3.630 2.719 2.467 3.106 . 0 0 "[ . 1 . 2 ]" 1 369 1 11 ARG HB2 1 11 ARG HD3 . . 4.240 3.162 2.761 3.591 . 0 0 "[ . 1 . 2 ]" 1 370 1 11 ARG HB2 1 12 GLY H . . 4.980 4.299 4.153 4.425 . 0 0 "[ . 1 . 2 ]" 1 371 1 11 ARG HB2 1 14 ASP H . . 4.560 4.143 3.618 4.523 . 0 0 "[ . 1 . 2 ]" 1 372 1 11 ARG HB2 1 14 ASP HB2 . . 3.680 2.945 2.388 3.763 0.083 3 0 "[ . 1 . 2 ]" 1 373 1 11 ARG HB2 1 15 SER H . . 3.880 2.941 2.677 3.390 . 0 0 "[ . 1 . 2 ]" 1 374 1 11 ARG HB2 1 15 SER HA . . 2.920 2.280 2.108 2.554 . 0 0 "[ . 1 . 2 ]" 1 375 1 11 ARG HB2 1 16 PRO QD . . 3.440 2.985 2.488 3.470 0.030 17 0 "[ . 1 . 2 ]" 1 376 1 11 ARG HB3 1 11 ARG HD2 . . 3.750 2.930 2.553 3.174 . 0 0 "[ . 1 . 2 ]" 1 377 1 11 ARG HB3 1 11 ARG HD3 . . 3.660 2.338 2.154 2.490 . 0 0 "[ . 1 . 2 ]" 1 378 1 11 ARG HB3 1 12 GLY H . . 4.970 4.534 4.452 4.587 . 0 0 "[ . 1 . 2 ]" 1 379 1 11 ARG HB3 1 14 ASP H . . 4.460 4.205 3.827 4.421 . 0 0 "[ . 1 . 2 ]" 1 380 1 11 ARG HB3 1 14 ASP HB2 . . 3.770 2.578 2.119 3.300 . 0 0 "[ . 1 . 2 ]" 1 381 1 11 ARG HB3 1 14 ASP HB3 . . 4.390 3.900 2.587 4.532 0.142 3 0 "[ . 1 . 2 ]" 1 382 1 11 ARG HB3 1 15 SER H . . 4.070 4.072 3.844 4.161 0.091 20 0 "[ . 1 . 2 ]" 1 383 1 11 ARG HB3 1 15 SER HA . . 4.670 4.006 3.836 4.277 . 0 0 "[ . 1 . 2 ]" 1 384 1 11 ARG HD2 1 14 ASP HB2 . . 5.150 3.917 2.845 5.107 . 0 0 "[ . 1 . 2 ]" 1 385 1 11 ARG HD2 1 16 PRO QD . . 4.060 2.595 2.025 3.512 . 0 0 "[ . 1 . 2 ]" 1 386 1 11 ARG HG2 1 12 GLY H . . 5.500 5.034 4.753 5.326 . 0 0 "[ . 1 . 2 ]" 1 387 1 11 ARG HG2 1 15 SER HA . . 4.990 4.558 4.070 5.005 0.015 19 0 "[ . 1 . 2 ]" 1 388 1 11 ARG HG3 1 12 GLY H . . 5.500 5.183 4.971 5.483 . 0 0 "[ . 1 . 2 ]" 1 389 1 11 ARG HG3 1 15 SER H . . 5.500 5.037 4.512 5.703 0.203 19 0 "[ . 1 . 2 ]" 1 390 1 11 ARG HG3 1 15 SER HA . . 4.970 3.152 2.652 3.815 . 0 0 "[ . 1 . 2 ]" 1 391 1 11 ARG HG3 1 16 PRO QD . . 5.120 2.901 2.479 3.230 . 0 0 "[ . 1 . 2 ]" 1 392 1 12 GLY H 1 15 SER QB . . 4.960 4.498 3.841 4.966 0.006 19 0 "[ . 1 . 2 ]" 1 393 1 12 GLY H 1 40 ILE MG . . 5.500 5.098 4.666 5.594 0.094 19 0 "[ . 1 . 2 ]" 1 394 1 12 GLY H 1 42 VAL HB . . 5.030 4.405 3.423 5.123 0.093 2 0 "[ . 1 . 2 ]" 1 395 1 12 GLY H 1 42 VAL QG . . 3.930 2.828 1.997 3.374 . 0 0 "[ . 1 . 2 ]" 1 396 1 12 GLY QA 1 13 LYS QG . . 4.520 3.524 2.855 4.451 . 0 0 "[ . 1 . 2 ]" 1 397 1 12 GLY QA 1 14 ASP H . . 5.160 3.807 3.176 4.231 . 0 0 "[ . 1 . 2 ]" 1 398 1 12 GLY QA 1 15 SER H . . 5.240 4.137 3.624 4.473 . 0 0 "[ . 1 . 2 ]" 1 399 1 12 GLY QA 1 40 ILE MD . . 4.320 4.124 3.748 4.293 . 0 0 "[ . 1 . 2 ]" 1 400 1 12 GLY QA 1 40 ILE MG . . 4.150 3.160 2.610 3.634 . 0 0 "[ . 1 . 2 ]" 1 401 1 12 GLY QA 1 42 VAL HB . . 5.020 3.600 2.364 4.654 . 0 0 "[ . 1 . 2 ]" 1 402 1 12 GLY QA 1 42 VAL QG . . 3.360 2.444 1.962 3.026 . 0 0 "[ . 1 . 2 ]" 1 403 1 13 LYS HA 1 13 LYS QB . . 2.610 2.264 2.093 2.433 . 0 0 "[ . 1 . 2 ]" 1 404 1 13 LYS HA 1 13 LYS HD3 . . 5.050 4.762 3.917 5.522 0.472 20 0 "[ . 1 . 2 ]" 1 405 1 13 LYS HA 1 15 SER H . . 4.870 3.680 3.305 4.125 . 0 0 "[ . 1 . 2 ]" 1 406 1 13 LYS HA 1 40 ILE MD . . 3.360 3.203 2.225 3.503 0.143 10 0 "[ . 1 . 2 ]" 1 407 1 13 LYS HA 1 96 VAL MG1 . . 4.140 2.875 2.217 3.547 . 0 0 "[ . 1 . 2 ]" 1 408 1 13 LYS HA 1 97 GLU H . . 4.110 3.373 3.051 3.946 . 0 0 "[ . 1 . 2 ]" 1 409 1 13 LYS HA 1 97 GLU QG . . 3.520 4.122 3.611 5.044 1.524 9 12 "[ * *- *+1*** *** * ]" 1 410 1 13 LYS QB 1 13 LYS HD2 . . 3.430 2.648 2.318 3.365 . 0 0 "[ . 1 . 2 ]" 1 411 1 13 LYS QB 1 14 ASP H . . 4.500 2.890 2.071 3.793 . 0 0 "[ . 1 . 2 ]" 1 412 1 13 LYS QB 1 40 ILE MD . . 3.960 3.557 2.102 4.854 0.894 6 3 "[ .+ 1 *. -2 ]" 1 413 1 13 LYS QB 1 97 GLU H . . 4.450 3.510 2.703 4.099 . 0 0 "[ . 1 . 2 ]" 1 414 1 13 LYS HD2 1 13 LYS QG . . 2.400 2.324 2.053 2.448 0.048 12 0 "[ . 1 . 2 ]" 1 415 1 13 LYS HD2 1 14 ASP H . . 5.500 5.071 4.572 5.527 0.027 21 0 "[ . 1 . 2 ]" 1 416 1 13 LYS QE 1 40 ILE MD . . 4.910 4.857 3.703 6.054 1.144 1 4 "[+ .* * . - ]" 1 417 1 13 LYS QG 1 14 ASP H . . 3.840 3.317 2.040 3.974 0.134 3 0 "[ . 1 . 2 ]" 1 418 1 13 LYS QG 1 97 GLU H . . 5.500 4.796 3.457 5.573 0.073 20 0 "[ . 1 . 2 ]" 1 419 1 14 ASP H 1 14 ASP HB2 . . 3.360 2.878 2.104 3.476 0.116 21 0 "[ . 1 . 2 ]" 1 420 1 14 ASP H 1 14 ASP HB3 . . 3.680 3.460 3.008 3.719 0.039 2 0 "[ . 1 . 2 ]" 1 421 1 14 ASP H 1 15 SER H . . 3.420 2.650 2.328 3.021 . 0 0 "[ . 1 . 2 ]" 1 422 1 14 ASP H 1 15 SER QB . . 5.500 4.806 4.196 5.169 . 0 0 "[ . 1 . 2 ]" 1 423 1 14 ASP H 1 95 THR HB . . 5.500 5.061 4.594 5.568 0.068 13 0 "[ . 1 . 2 ]" 1 424 1 14 ASP H 1 95 THR MG . . 5.500 5.099 4.505 5.543 0.043 16 0 "[ . 1 . 2 ]" 1 425 1 14 ASP H 1 96 VAL H . . 5.500 5.568 5.072 6.047 0.547 15 1 "[ . 1 + 2 ]" 1 426 1 14 ASP HA 1 14 ASP HB3 . . 3.050 2.378 2.210 2.841 . 0 0 "[ . 1 . 2 ]" 1 427 1 14 ASP HA 1 95 THR HB . . 3.400 2.840 2.227 3.510 0.110 15 0 "[ . 1 . 2 ]" 1 428 1 14 ASP HA 1 95 THR MG . . 3.670 2.737 2.192 3.263 . 0 0 "[ . 1 . 2 ]" 1 429 1 14 ASP HA 1 96 VAL H . . 4.180 4.402 3.833 4.921 0.741 15 3 "[ .* 1 +- 2 ]" 1 430 1 14 ASP HA 1 97 GLU QG . . 4.540 3.578 3.220 4.095 . 0 0 "[ . 1 . 2 ]" 1 431 1 14 ASP HB2 1 15 SER H . . 4.700 3.566 3.089 4.126 . 0 0 "[ . 1 . 2 ]" 1 432 1 14 ASP HB2 1 95 THR MG . . 4.650 4.432 3.582 4.808 0.158 4 0 "[ . 1 . 2 ]" 1 433 1 14 ASP HB3 1 15 SER H . . 4.860 4.330 3.734 4.657 . 0 0 "[ . 1 . 2 ]" 1 434 1 14 ASP HB3 1 95 THR MG . . 3.800 3.662 3.223 3.979 0.179 10 0 "[ . 1 . 2 ]" 1 435 1 15 SER H 1 15 SER QB . . 3.470 2.519 1.876 2.645 . 0 0 "[ . 1 . 2 ]" 1 436 1 15 SER H 1 95 THR HB . . 5.340 4.375 3.886 5.213 . 0 0 "[ . 1 . 2 ]" 1 437 1 15 SER H 1 95 THR MG . . 5.500 4.530 3.850 4.846 . 0 0 "[ . 1 . 2 ]" 1 438 1 15 SER H 1 96 VAL MG2 . . 4.450 3.977 3.547 4.314 . 0 0 "[ . 1 . 2 ]" 1 439 1 15 SER HA 1 16 PRO QD . . 3.090 2.052 2.000 2.119 . 0 0 "[ . 1 . 2 ]" 1 440 1 15 SER HA 1 16 PRO HG3 . . 4.610 4.577 4.450 4.698 0.088 4 0 "[ . 1 . 2 ]" 1 441 1 15 SER HA 1 96 VAL H . . 5.500 4.905 4.655 5.239 . 0 0 "[ . 1 . 2 ]" 1 442 1 15 SER HA 1 96 VAL MG2 . . 4.060 4.381 4.174 4.548 0.488 13 0 "[ . 1 . 2 ]" 1 443 1 15 SER QB 1 96 VAL H . . 5.270 3.282 2.629 3.908 . 0 0 "[ . 1 . 2 ]" 1 444 1 15 SER QB 1 96 VAL MG2 . . 3.100 2.055 1.934 2.403 . 0 0 "[ . 1 . 2 ]" 1 445 1 15 SER QB 1 97 GLU H . . 5.500 4.984 4.386 5.424 . 0 0 "[ . 1 . 2 ]" 1 446 1 16 PRO HA 1 17 ILE H . . 2.930 2.244 2.158 2.327 . 0 0 "[ . 1 . 2 ]" 1 447 1 16 PRO HA 1 17 ILE HB . . 4.540 4.442 4.288 4.577 0.037 11 0 "[ . 1 . 2 ]" 1 448 1 16 PRO HA 1 17 ILE MG . . 4.490 3.983 3.797 4.214 . 0 0 "[ . 1 . 2 ]" 1 449 1 16 PRO HA 1 95 THR HA . . 3.150 2.296 2.056 2.436 . 0 0 "[ . 1 . 2 ]" 1 450 1 16 PRO HA 1 95 THR MG . . 3.390 2.654 2.261 3.425 0.035 3 0 "[ . 1 . 2 ]" 1 451 1 16 PRO HA 1 96 VAL H . . 4.200 4.059 3.770 4.300 0.100 3 0 "[ . 1 . 2 ]" 1 452 1 16 PRO HB2 1 17 ILE H . . 4.040 3.533 3.388 3.704 . 0 0 "[ . 1 . 2 ]" 1 453 1 16 PRO HB2 1 95 THR HA . . 4.790 4.955 4.691 5.146 0.356 19 0 "[ . 1 . 2 ]" 1 454 1 16 PRO HB3 1 17 ILE H . . 4.140 4.069 3.926 4.160 0.020 11 0 "[ . 1 . 2 ]" 1 455 1 16 PRO HB3 1 95 THR HA . . 4.310 4.292 4.038 4.400 0.090 17 0 "[ . 1 . 2 ]" 1 456 1 16 PRO HB3 1 95 THR MG . . 5.410 3.217 2.770 3.946 . 0 0 "[ . 1 . 2 ]" 1 457 1 16 PRO HG2 1 17 ILE H . . 5.500 4.956 4.722 5.351 . 0 0 "[ . 1 . 2 ]" 1 458 1 17 ILE H 1 17 ILE HB . . 3.120 2.357 2.221 2.478 . 0 0 "[ . 1 . 2 ]" 1 459 1 17 ILE H 1 17 ILE HG13 . . 4.220 4.315 4.227 4.367 0.147 3 0 "[ . 1 . 2 ]" 1 460 1 17 ILE H 1 17 ILE MG . . 3.340 2.182 2.041 2.361 . 0 0 "[ . 1 . 2 ]" 1 461 1 17 ILE H 1 18 SER H . . 4.470 4.616 4.559 4.682 0.212 18 0 "[ . 1 . 2 ]" 1 462 1 17 ILE H 1 94 GLY H . . 5.340 3.865 3.598 4.041 . 0 0 "[ . 1 . 2 ]" 1 463 1 17 ILE H 1 94 GLY HA2 . . 5.030 4.728 4.395 4.956 . 0 0 "[ . 1 . 2 ]" 1 464 1 17 ILE H 1 95 THR HA . . 3.660 2.962 2.732 3.271 . 0 0 "[ . 1 . 2 ]" 1 465 1 17 ILE H 1 95 THR MG . . 4.650 4.207 3.846 4.710 0.060 3 0 "[ . 1 . 2 ]" 1 466 1 17 ILE H 1 96 VAL HA . . 5.500 5.468 5.264 5.577 0.077 10 0 "[ . 1 . 2 ]" 1 467 1 17 ILE HA 1 17 ILE HB . . 2.890 2.499 2.446 2.569 . 0 0 "[ . 1 . 2 ]" 1 468 1 17 ILE HA 1 17 ILE MD . . 4.690 3.648 3.454 3.754 . 0 0 "[ . 1 . 2 ]" 1 469 1 17 ILE HA 1 17 ILE HG12 . . 4.050 3.160 3.064 3.296 . 0 0 "[ . 1 . 2 ]" 1 470 1 17 ILE HA 1 17 ILE HG13 . . 2.910 2.300 2.162 2.408 . 0 0 "[ . 1 . 2 ]" 1 471 1 17 ILE HA 1 18 SER H . . 2.990 2.199 2.111 2.303 . 0 0 "[ . 1 . 2 ]" 1 472 1 17 ILE HB 1 17 ILE MD . . 3.270 2.295 2.133 2.374 . 0 0 "[ . 1 . 2 ]" 1 473 1 17 ILE HB 1 18 SER H . . 4.180 4.172 4.069 4.280 0.100 4 0 "[ . 1 . 2 ]" 1 474 1 17 ILE HB 1 93 SER H . . 5.500 5.570 5.519 5.591 0.091 15 0 "[ . 1 . 2 ]" 1 475 1 17 ILE HB 1 93 SER HA . . 3.810 4.384 4.121 4.558 0.748 17 17 "[* **.***** ***-*+ ***]" 1 476 1 17 ILE HB 1 94 GLY H . . 4.280 4.003 3.477 4.404 0.124 13 0 "[ . 1 . 2 ]" 1 477 1 17 ILE MD 1 17 ILE MG . . 3.440 2.182 2.111 2.398 . 0 0 "[ . 1 . 2 ]" 1 478 1 17 ILE MD 1 18 SER H . . 4.430 4.180 3.803 4.409 . 0 0 "[ . 1 . 2 ]" 1 479 1 17 ILE MD 1 70 VAL HA . . 3.450 2.667 2.322 3.553 0.103 4 0 "[ . 1 . 2 ]" 1 480 1 17 ILE MD 1 71 ARG QD . . 5.250 3.349 2.875 4.426 . 0 0 "[ . 1 . 2 ]" 1 481 1 17 ILE MD 1 92 ALA H . . 4.560 4.007 3.630 4.711 0.151 18 0 "[ . 1 . 2 ]" 1 482 1 17 ILE MD 1 93 SER H . . 4.810 3.780 3.570 4.217 . 0 0 "[ . 1 . 2 ]" 1 483 1 17 ILE MD 1 93 SER HA . . 3.930 3.247 2.780 3.589 . 0 0 "[ . 1 . 2 ]" 1 484 1 17 ILE MD 1 94 GLY H . . 5.200 4.282 3.863 4.543 . 0 0 "[ . 1 . 2 ]" 1 485 1 17 ILE HG12 1 18 SER H . . 4.150 2.892 2.398 3.346 . 0 0 "[ . 1 . 2 ]" 1 486 1 17 ILE HG12 1 19 GLU H . . 5.500 5.527 5.146 5.782 0.282 4 0 "[ . 1 . 2 ]" 1 487 1 17 ILE HG13 1 18 SER H . . 4.070 2.706 2.432 2.945 . 0 0 "[ . 1 . 2 ]" 1 488 1 17 ILE MG 1 18 SER H . . 5.290 3.795 3.622 3.987 . 0 0 "[ . 1 . 2 ]" 1 489 1 17 ILE MG 1 19 GLU H . . 5.500 5.477 5.277 5.587 0.087 13 0 "[ . 1 . 2 ]" 1 490 1 17 ILE MG 1 71 ARG H . . 5.500 5.231 4.856 5.567 0.067 15 0 "[ . 1 . 2 ]" 1 491 1 17 ILE MG 1 71 ARG HB2 . . 5.310 3.718 3.092 4.833 . 0 0 "[ . 1 . 2 ]" 1 492 1 17 ILE MG 1 71 ARG QD . . 3.990 2.373 1.934 2.885 . 0 0 "[ . 1 . 2 ]" 1 493 1 17 ILE MG 1 93 SER H . . 4.190 3.795 3.542 3.932 . 0 0 "[ . 1 . 2 ]" 1 494 1 17 ILE MG 1 93 SER HA . . 3.040 2.035 1.923 2.176 . 0 0 "[ . 1 . 2 ]" 1 495 1 17 ILE MG 1 93 SER QB . . 4.370 3.483 3.196 3.806 . 0 0 "[ . 1 . 2 ]" 1 496 1 17 ILE MG 1 94 GLY H . . 2.920 2.077 1.835 2.218 . 0 0 "[ . 1 . 2 ]" 1 497 1 17 ILE MG 1 94 GLY HA2 . . 3.770 3.833 3.532 3.919 0.149 16 0 "[ . 1 . 2 ]" 1 498 1 17 ILE MG 1 95 THR H . . 5.160 4.882 4.743 4.988 . 0 0 "[ . 1 . 2 ]" 1 499 1 17 ILE MG 1 95 THR HA . . 4.180 4.319 4.240 4.345 0.165 13 0 "[ . 1 . 2 ]" 1 500 1 18 SER H 1 18 SER QB . . 3.390 2.240 2.090 2.386 . 0 0 "[ . 1 . 2 ]" 1 501 1 18 SER H 1 19 GLU H . . 5.030 4.490 4.144 4.615 . 0 0 "[ . 1 . 2 ]" 1 502 1 18 SER H 1 19 GLU HA . . 5.500 5.264 5.026 5.478 . 0 0 "[ . 1 . 2 ]" 1 503 1 18 SER H 1 24 ALA MB . . 4.420 4.848 4.352 5.562 1.142 12 7 "[ * -1*+ ** * 2 ]" 1 504 1 18 SER HA 1 19 GLU H . . 3.090 2.532 2.318 2.837 . 0 0 "[ . 1 . 2 ]" 1 505 1 18 SER HA 1 19 GLU HA . . 4.360 4.370 4.244 4.526 0.166 18 0 "[ . 1 . 2 ]" 1 506 1 18 SER HA 1 19 GLU QB . . 4.560 4.570 4.089 4.927 0.367 8 0 "[ . 1 . 2 ]" 1 507 1 18 SER HA 1 20 HIS H . . 4.980 4.451 3.958 4.809 . 0 0 "[ . 1 . 2 ]" 1 508 1 18 SER QB 1 19 GLU H . . 4.430 2.891 2.386 3.227 . 0 0 "[ . 1 . 2 ]" 1 509 1 18 SER QB 1 20 HIS H . . 4.790 3.101 2.630 3.631 . 0 0 "[ . 1 . 2 ]" 1 510 1 18 SER QB 1 24 ALA MB . . 3.510 3.063 2.581 3.837 0.327 12 0 "[ . 1 . 2 ]" 1 511 1 19 GLU H 1 19 GLU QB . . 3.580 2.506 2.191 3.090 . 0 0 "[ . 1 . 2 ]" 1 512 1 19 GLU H 1 19 GLU QG . . 3.720 3.051 2.285 3.869 0.149 17 0 "[ . 1 . 2 ]" 1 513 1 19 GLU H 1 20 HIS H . . 4.170 2.292 1.940 2.850 . 0 0 "[ . 1 . 2 ]" 1 514 1 19 GLU H 1 20 HIS HA . . 5.500 5.046 4.695 5.462 . 0 0 "[ . 1 . 2 ]" 1 515 1 19 GLU H 1 71 ARG QD . . 5.500 4.954 4.580 5.319 . 0 0 "[ . 1 . 2 ]" 1 516 1 19 GLU HA 1 19 GLU QG . . 3.470 2.480 2.165 3.152 . 0 0 "[ . 1 . 2 ]" 1 517 1 19 GLU HA 1 71 ARG H . . 5.400 4.381 3.500 5.234 . 0 0 "[ . 1 . 2 ]" 1 518 1 19 GLU HA 1 71 ARG HB2 . . 3.210 3.100 2.098 4.175 0.965 5 5 "[ * + 1 . -* *]" 1 519 1 19 GLU HA 1 71 ARG HB3 . . 3.370 2.605 1.990 3.523 0.153 13 0 "[ . 1 . 2 ]" 1 520 1 19 GLU HA 1 71 ARG QD . . 3.510 2.868 2.121 3.355 . 0 0 "[ . 1 . 2 ]" 1 521 1 19 GLU HA 1 71 ARG QG . . 3.830 3.267 2.370 3.652 . 0 0 "[ . 1 . 2 ]" 1 522 1 19 GLU QB 1 20 HIS H . . 3.920 2.769 2.359 3.461 . 0 0 "[ . 1 . 2 ]" 1 523 1 19 GLU QB 1 71 ARG QD . . 5.010 4.105 2.864 4.634 . 0 0 "[ . 1 . 2 ]" 1 524 1 19 GLU QB 1 72 GLY H . . 5.500 4.050 3.212 4.547 . 0 0 "[ . 1 . 2 ]" 1 525 1 20 HIS H 1 20 HIS QB . . 3.850 2.605 2.272 2.863 . 0 0 "[ . 1 . 2 ]" 1 526 1 20 HIS H 1 24 ALA MB . . 5.500 4.609 4.225 5.446 . 0 0 "[ . 1 . 2 ]" 1 527 1 20 HIS H 1 71 ARG QD . . 5.500 5.958 5.044 6.491 0.991 11 10 "[* . **+- **** * ]" 1 528 1 20 HIS QB 1 23 ARG QB . . 3.960 4.154 2.259 5.147 1.187 2 9 "[ +* * ** 1 ** . - *]" 1 529 1 20 HIS QB 1 23 ARG HG2 . . 4.770 3.483 2.119 4.589 . 0 0 "[ . 1 . 2 ]" 1 530 1 20 HIS QB 1 24 ALA H . . 5.500 4.801 3.922 5.267 . 0 0 "[ . 1 . 2 ]" 1 531 1 21 PHE HA 1 21 PHE QD . . 3.800 2.939 2.738 3.155 . 0 0 "[ . 1 . 2 ]" 1 532 1 21 PHE HA 1 24 ALA H . . 5.160 3.945 3.456 4.650 . 0 0 "[ . 1 . 2 ]" 1 533 1 21 PHE HA 1 24 ALA MB . . 4.290 2.458 2.169 2.643 . 0 0 "[ . 1 . 2 ]" 1 534 1 21 PHE QB 1 22 GLY H . . 4.830 2.523 2.270 2.767 . 0 0 "[ . 1 . 2 ]" 1 535 1 21 PHE QB 1 70 VAL HB . . 4.100 3.224 2.877 3.766 . 0 0 "[ . 1 . 2 ]" 1 536 1 21 PHE QB 1 70 VAL MG1 . . 5.170 2.716 2.245 3.221 . 0 0 "[ . 1 . 2 ]" 1 537 1 21 PHE QB 1 73 ILE HA . . 3.800 2.530 2.102 2.856 . 0 0 "[ . 1 . 2 ]" 1 538 1 21 PHE QB 1 73 ILE HB . . 4.690 2.837 2.539 3.095 . 0 0 "[ . 1 . 2 ]" 1 539 1 21 PHE QB 1 73 ILE MD . . 4.050 2.374 2.063 2.552 . 0 0 "[ . 1 . 2 ]" 1 540 1 21 PHE QB 1 73 ILE HG13 . . 4.830 2.144 2.013 2.248 . 0 0 "[ . 1 . 2 ]" 1 541 1 21 PHE QB 1 74 GLY H . . 4.470 4.012 3.246 4.430 . 0 0 "[ . 1 . 2 ]" 1 542 1 21 PHE QD 1 22 GLY HA2 . . 4.350 2.949 2.638 3.525 . 0 0 "[ . 1 . 2 ]" 1 543 1 21 PHE QD 1 27 PHE QE . . 4.280 2.710 2.295 3.035 . 0 0 "[ . 1 . 2 ]" 1 544 1 21 PHE QD 1 27 PHE HZ . . 4.330 3.817 3.616 4.089 . 0 0 "[ . 1 . 2 ]" 1 545 1 21 PHE QD 1 56 VAL QG . . 4.160 3.403 2.904 3.722 . 0 0 "[ . 1 . 2 ]" 1 546 1 21 PHE QD 1 70 VAL HB . . 4.350 4.331 3.725 5.086 0.736 21 1 "[ . 1 . 2+ ]" 1 547 1 21 PHE QD 1 70 VAL MG1 . . 3.310 2.640 2.225 3.131 . 0 0 "[ . 1 . 2 ]" 1 548 1 21 PHE QD 1 70 VAL MG2 . . 4.210 4.631 4.230 5.011 0.801 21 7 "[ -*. * 1 . * *+*]" 1 549 1 21 PHE QD 1 73 ILE HB . . 4.390 4.574 4.068 4.901 0.511 15 1 "[ . 1 + 2 ]" 1 550 1 21 PHE QD 1 73 ILE MD . . 4.170 2.983 2.711 3.210 . 0 0 "[ . 1 . 2 ]" 1 551 1 21 PHE QD 1 73 ILE HG13 . . 5.310 3.231 2.515 3.646 . 0 0 "[ . 1 . 2 ]" 1 552 1 21 PHE QD 1 77 ALA MB . . 3.910 2.198 2.116 2.435 . 0 0 "[ . 1 . 2 ]" 1 553 1 21 PHE QE 1 22 GLY H . . 5.500 5.242 4.700 5.566 0.066 2 0 "[ . 1 . 2 ]" 1 554 1 21 PHE QE 1 27 PHE HZ . . 3.920 3.346 2.988 3.756 . 0 0 "[ . 1 . 2 ]" 1 555 1 21 PHE QE 1 56 VAL H . . 5.500 6.370 5.982 6.859 1.359 5 21 [****+********-*****2**] 1 556 1 21 PHE QE 1 56 VAL HB . . 3.610 4.612 4.279 4.955 1.345 10 22 [*******-*+************] 1 557 1 21 PHE QE 1 56 VAL QG . . 3.470 2.448 2.178 2.695 . 0 0 "[ . 1 . 2 ]" 1 558 1 21 PHE QE 1 57 PRO HA . . 4.700 3.639 3.335 3.976 . 0 0 "[ . 1 . 2 ]" 1 559 1 21 PHE QE 1 57 PRO QD . . 3.570 3.987 3.588 4.321 0.751 15 10 "[**- ** ** * + 2 *]" 1 560 1 21 PHE QE 1 57 PRO HG3 . . 5.060 3.696 2.404 5.009 . 0 0 "[ . 1 . 2 ]" 1 561 1 21 PHE QE 1 60 VAL QG . . 3.900 2.873 2.409 3.166 . 0 0 "[ . 1 . 2 ]" 1 562 1 21 PHE QE 1 68 VAL QG . . 3.660 3.052 2.283 3.703 0.043 17 0 "[ . 1 . 2 ]" 1 563 1 21 PHE QE 1 73 ILE MD . . 4.260 3.830 3.492 4.188 . 0 0 "[ . 1 . 2 ]" 1 564 1 21 PHE QE 1 77 ALA MB . . 3.700 2.560 2.063 3.051 . 0 0 "[ . 1 . 2 ]" 1 565 1 21 PHE QE 1 80 ALA MB . . 3.830 4.016 3.815 4.056 0.226 8 0 "[ . 1 . 2 ]" 1 566 1 21 PHE HZ 1 56 VAL QG . . 3.580 3.241 2.688 3.726 0.146 19 0 "[ . 1 . 2 ]" 1 567 1 21 PHE HZ 1 57 PRO HA . . 3.520 3.270 2.496 3.676 0.156 5 0 "[ . 1 . 2 ]" 1 568 1 21 PHE HZ 1 60 VAL QG . . 3.690 2.077 1.964 2.439 . 0 0 "[ . 1 . 2 ]" 1 569 1 21 PHE HZ 1 80 ALA MB . . 4.590 4.454 3.839 4.724 0.134 17 0 "[ . 1 . 2 ]" 1 570 1 22 GLY H 1 23 ARG H . . 4.380 2.976 2.822 3.253 . 0 0 "[ . 1 . 2 ]" 1 571 1 22 GLY H 1 24 ALA H . . 5.500 4.727 4.420 5.317 . 0 0 "[ . 1 . 2 ]" 1 572 1 22 GLY HA2 1 24 ALA H . . 4.800 4.207 3.909 4.588 . 0 0 "[ . 1 . 2 ]" 1 573 1 22 GLY HA2 1 56 VAL QG . . 4.350 2.430 2.049 3.272 . 0 0 "[ . 1 . 2 ]" 1 574 1 22 GLY HA3 1 24 ALA H . . 5.170 4.977 4.760 5.281 0.111 11 0 "[ . 1 . 2 ]" 1 575 1 22 GLY HA3 1 56 VAL QG . . 5.260 3.741 3.409 4.593 . 0 0 "[ . 1 . 2 ]" 1 576 1 23 ARG H 1 24 ALA H . . 3.670 2.463 2.004 3.272 . 0 0 "[ . 1 . 2 ]" 1 577 1 23 ARG HA 1 23 ARG QD . . 4.340 3.715 2.067 4.230 . 0 0 "[ . 1 . 2 ]" 1 578 1 23 ARG HA 1 23 ARG HG3 . . 3.500 3.776 2.290 4.268 0.768 13 9 "[* * . ** *+ * 2-*]" 1 579 1 23 ARG QB 1 24 ALA H . . 5.250 4.041 3.807 4.143 . 0 0 "[ . 1 . 2 ]" 1 580 1 23 ARG QD 1 24 ALA H . . 5.500 5.004 4.054 5.616 0.116 19 0 "[ . 1 . 2 ]" 1 581 1 23 ARG HG3 1 24 ALA H . . 5.500 4.936 3.962 6.054 0.554 4 1 "[ +. 1 . 2 ]" 1 582 1 24 ALA H 1 24 ALA MB . . 3.040 2.241 1.986 2.411 . 0 0 "[ . 1 . 2 ]" 1 583 1 24 ALA H 1 25 PRO HD2 . . 5.420 4.943 4.847 5.028 . 0 0 "[ . 1 . 2 ]" 1 584 1 24 ALA HA 1 25 PRO HD2 . . 3.190 2.278 2.163 2.488 . 0 0 "[ . 1 . 2 ]" 1 585 1 24 ALA HA 1 25 PRO HD3 . . 3.130 2.506 2.162 2.743 . 0 0 "[ . 1 . 2 ]" 1 586 1 24 ALA MB 1 25 PRO HD2 . . 4.320 2.914 2.542 3.412 . 0 0 "[ . 1 . 2 ]" 1 587 1 24 ALA MB 1 25 PRO HD3 . . 4.720 3.860 3.436 4.193 . 0 0 "[ . 1 . 2 ]" 1 588 1 24 ALA MB 1 26 TYR H . . 3.480 2.796 2.574 3.018 . 0 0 "[ . 1 . 2 ]" 1 589 1 24 ALA MB 1 27 PHE QE . . 3.750 2.504 2.153 3.078 . 0 0 "[ . 1 . 2 ]" 1 590 1 24 ALA MB 1 27 PHE HZ . . 4.840 3.379 2.686 3.872 . 0 0 "[ . 1 . 2 ]" 1 591 1 25 PRO HA 1 45 ASN QB . . 4.370 2.933 2.589 3.191 . 0 0 "[ . 1 . 2 ]" 1 592 1 25 PRO HB2 1 26 TYR H . . 4.200 3.742 3.654 3.858 . 0 0 "[ . 1 . 2 ]" 1 593 1 25 PRO HB2 1 26 TYR QD . . 3.420 2.832 2.662 2.958 . 0 0 "[ . 1 . 2 ]" 1 594 1 25 PRO HB2 1 26 TYR QE . . 3.540 2.686 2.437 3.067 . 0 0 "[ . 1 . 2 ]" 1 595 1 25 PRO HB3 1 26 TYR H . . 4.690 4.432 4.309 4.498 . 0 0 "[ . 1 . 2 ]" 1 596 1 25 PRO HB3 1 26 TYR QD . . 4.750 4.291 4.240 4.321 . 0 0 "[ . 1 . 2 ]" 1 597 1 25 PRO HD2 1 26 TYR H . . 4.640 2.919 2.611 3.244 . 0 0 "[ . 1 . 2 ]" 1 598 1 25 PRO HD3 1 26 TYR H . . 4.570 4.060 3.842 4.246 . 0 0 "[ . 1 . 2 ]" 1 599 1 25 PRO HG2 1 26 TYR H . . 4.040 2.894 2.607 3.171 . 0 0 "[ . 1 . 2 ]" 1 600 1 25 PRO HG2 1 26 TYR QD . . 3.250 2.147 2.051 2.545 . 0 0 "[ . 1 . 2 ]" 1 601 1 25 PRO HG3 1 26 TYR H . . 4.390 4.356 4.106 4.490 0.100 12 0 "[ . 1 . 2 ]" 1 602 1 25 PRO HG3 1 26 TYR QD . . 4.100 3.676 3.234 4.050 . 0 0 "[ . 1 . 2 ]" 1 603 1 25 PRO HG3 1 26 TYR QE . . 5.110 3.923 3.258 4.374 . 0 0 "[ . 1 . 2 ]" 1 604 1 26 TYR H 1 26 TYR HB2 . . 3.710 2.784 2.532 3.059 . 0 0 "[ . 1 . 2 ]" 1 605 1 26 TYR H 1 26 TYR HB3 . . 3.980 3.853 3.688 3.955 . 0 0 "[ . 1 . 2 ]" 1 606 1 26 TYR H 1 26 TYR QD . . 3.760 3.145 2.768 3.638 . 0 0 "[ . 1 . 2 ]" 1 607 1 26 TYR H 1 26 TYR QE . . 5.310 5.061 4.706 5.426 0.116 5 0 "[ . 1 . 2 ]" 1 608 1 26 TYR H 1 27 PHE H . . 4.510 4.356 4.264 4.457 . 0 0 "[ . 1 . 2 ]" 1 609 1 26 TYR H 1 27 PHE HA . . 5.500 4.745 4.652 4.859 . 0 0 "[ . 1 . 2 ]" 1 610 1 26 TYR H 1 45 ASN H . . 5.500 4.679 4.316 5.460 . 0 0 "[ . 1 . 2 ]" 1 611 1 26 TYR HA 1 26 TYR QD . . 3.210 3.046 2.701 3.357 0.147 8 0 "[ . 1 . 2 ]" 1 612 1 26 TYR HA 1 27 PHE H . . 3.140 2.363 2.246 2.565 . 0 0 "[ . 1 . 2 ]" 1 613 1 26 TYR HA 1 44 GLU HA . . 3.260 2.610 2.238 2.899 . 0 0 "[ . 1 . 2 ]" 1 614 1 26 TYR HA 1 45 ASN H . . 3.260 2.705 2.254 3.324 0.064 2 0 "[ . 1 . 2 ]" 1 615 1 26 TYR HA 1 45 ASN QB . . 4.090 3.060 2.673 3.568 . 0 0 "[ . 1 . 2 ]" 1 616 1 26 TYR HB2 1 27 PHE H . . 4.130 3.674 3.193 4.181 0.051 5 0 "[ . 1 . 2 ]" 1 617 1 26 TYR HB2 1 42 VAL QG . . 4.300 3.691 3.079 4.393 0.093 7 0 "[ . 1 . 2 ]" 1 618 1 26 TYR HB3 1 27 PHE H . . 3.720 2.670 2.415 3.204 . 0 0 "[ . 1 . 2 ]" 1 619 1 26 TYR HB3 1 42 VAL QG . . 3.300 2.885 2.256 3.415 0.115 19 0 "[ . 1 . 2 ]" 1 620 1 26 TYR HB3 1 44 GLU HA . . 3.910 3.577 2.861 4.078 0.168 5 0 "[ . 1 . 2 ]" 1 621 1 26 TYR HB3 1 45 ASN H . . 5.500 4.839 4.182 5.476 . 0 0 "[ . 1 . 2 ]" 1 622 1 26 TYR QD 1 27 PHE H . . 4.480 4.043 3.769 4.298 . 0 0 "[ . 1 . 2 ]" 1 623 1 26 TYR QD 1 42 VAL QG . . 4.410 3.432 3.076 3.813 . 0 0 "[ . 1 . 2 ]" 1 624 1 26 TYR QD 1 44 GLU H . . 4.430 3.917 3.532 4.390 . 0 0 "[ . 1 . 2 ]" 1 625 1 26 TYR QD 1 44 GLU HA . . 2.770 2.164 2.005 2.470 . 0 0 "[ . 1 . 2 ]" 1 626 1 26 TYR QD 1 44 GLU HB2 . . 5.030 4.656 4.313 4.950 . 0 0 "[ . 1 . 2 ]" 1 627 1 26 TYR QD 1 44 GLU HG2 . . 4.920 3.204 2.237 4.246 . 0 0 "[ . 1 . 2 ]" 1 628 1 26 TYR QD 1 44 GLU HG3 . . 3.630 3.220 2.231 4.359 0.729 13 1 "[ . 1 + . 2 ]" 1 629 1 26 TYR QD 1 45 ASN H . . 4.520 4.027 3.681 4.282 . 0 0 "[ . 1 . 2 ]" 1 630 1 26 TYR QE 1 44 GLU H . . 5.140 4.942 4.350 5.272 0.132 2 0 "[ . 1 . 2 ]" 1 631 1 26 TYR QE 1 44 GLU HA . . 3.510 3.520 3.089 3.680 0.170 8 0 "[ . 1 . 2 ]" 1 632 1 26 TYR QE 1 44 GLU HB3 . . 4.550 3.908 2.729 4.692 0.142 21 0 "[ . 1 . 2 ]" 1 633 1 26 TYR QE 1 44 GLU HG2 . . 3.470 2.464 2.039 3.532 0.062 1 0 "[ . 1 . 2 ]" 1 634 1 26 TYR QE 1 44 GLU HG3 . . 3.400 3.011 2.143 3.647 0.247 9 0 "[ . 1 . 2 ]" 1 635 1 26 TYR QE 1 45 ASN H . . 5.500 4.899 4.526 5.264 . 0 0 "[ . 1 . 2 ]" 1 636 1 27 PHE H 1 27 PHE QB . . 3.380 2.667 2.541 2.773 . 0 0 "[ . 1 . 2 ]" 1 637 1 27 PHE H 1 27 PHE QD . . 4.630 3.899 3.705 4.108 . 0 0 "[ . 1 . 2 ]" 1 638 1 27 PHE H 1 28 ALA MB . . 5.500 4.966 4.735 5.277 . 0 0 "[ . 1 . 2 ]" 1 639 1 27 PHE H 1 42 VAL QG . . 4.320 4.015 3.282 4.384 0.064 20 0 "[ . 1 . 2 ]" 1 640 1 27 PHE H 1 43 GLU HB2 . . 5.240 4.002 3.074 4.809 . 0 0 "[ . 1 . 2 ]" 1 641 1 27 PHE H 1 44 GLU H . . 5.500 5.103 4.818 5.541 0.041 16 0 "[ . 1 . 2 ]" 1 642 1 27 PHE H 1 44 GLU HA . . 3.970 3.877 3.368 4.097 0.127 16 0 "[ . 1 . 2 ]" 1 643 1 27 PHE H 1 45 ASN H . . 4.630 4.551 4.321 4.684 0.054 20 0 "[ . 1 . 2 ]" 1 644 1 27 PHE H 1 45 ASN HA . . 5.500 4.748 4.378 5.031 . 0 0 "[ . 1 . 2 ]" 1 645 1 27 PHE HA 1 27 PHE QD . . 3.410 2.179 2.071 2.370 . 0 0 "[ . 1 . 2 ]" 1 646 1 27 PHE HA 1 28 ALA H . . 2.960 2.172 2.125 2.262 . 0 0 "[ . 1 . 2 ]" 1 647 1 27 PHE HA 1 28 ALA MB . . 4.140 4.051 3.961 4.148 0.008 20 0 "[ . 1 . 2 ]" 1 648 1 27 PHE HA 1 29 PHE H . . 5.040 5.027 4.785 5.431 0.391 20 0 "[ . 1 . 2 ]" 1 649 1 27 PHE QB 1 28 ALA H . . 4.070 3.527 3.252 3.718 . 0 0 "[ . 1 . 2 ]" 1 650 1 27 PHE QB 1 28 ALA MB . . 4.410 4.745 4.617 4.900 0.490 5 0 "[ . 1 . 2 ]" 1 651 1 27 PHE QB 1 29 PHE H . . 3.790 3.899 3.506 4.302 0.512 20 1 "[ . 1 . + ]" 1 652 1 27 PHE QB 1 29 PHE QD . . 3.570 3.442 3.400 3.488 . 0 0 "[ . 1 . 2 ]" 1 653 1 27 PHE QB 1 59 PHE QE . . 4.240 3.120 2.804 3.568 . 0 0 "[ . 1 . 2 ]" 1 654 1 27 PHE QB 1 59 PHE HZ . . 4.360 4.364 4.185 4.406 0.046 16 0 "[ . 1 . 2 ]" 1 655 1 27 PHE QD 1 28 ALA H . . 4.810 3.943 3.793 4.129 . 0 0 "[ . 1 . 2 ]" 1 656 1 27 PHE QD 1 45 ASN HA . . 4.390 3.673 3.076 4.178 . 0 0 "[ . 1 . 2 ]" 1 657 1 27 PHE QD 1 45 ASN QB . . 5.000 4.168 2.997 4.767 . 0 0 "[ . 1 . 2 ]" 1 658 1 27 PHE QD 1 59 PHE QE . . 3.700 2.106 2.031 2.222 . 0 0 "[ . 1 . 2 ]" 1 659 1 27 PHE QD 1 60 VAL QG . . 4.570 2.360 2.032 2.749 . 0 0 "[ . 1 . 2 ]" 1 660 1 27 PHE QE 1 56 VAL QG . . 3.510 2.429 2.140 2.869 . 0 0 "[ . 1 . 2 ]" 1 661 1 27 PHE QE 1 59 PHE QD . . 3.000 2.925 2.510 3.133 0.133 19 0 "[ . 1 . 2 ]" 1 662 1 27 PHE QE 1 60 VAL QG . . 3.870 2.526 2.081 2.921 . 0 0 "[ . 1 . 2 ]" 1 663 1 27 PHE HZ 1 56 VAL QG . . 3.260 2.285 1.956 2.717 . 0 0 "[ . 1 . 2 ]" 1 664 1 27 PHE HZ 1 60 VAL QG . . 3.640 3.598 3.257 3.780 0.140 17 0 "[ . 1 . 2 ]" 1 665 1 28 ALA H 1 28 ALA MB . . 3.100 2.234 2.135 2.304 . 0 0 "[ . 1 . 2 ]" 1 666 1 28 ALA H 1 29 PHE QD . . 5.500 6.000 5.830 6.082 0.582 18 13 "[ *******-1 * .* + 2**]" 1 667 1 28 ALA H 1 42 VAL HA . . 5.000 4.376 4.045 4.756 . 0 0 "[ . 1 . 2 ]" 1 668 1 28 ALA HA 1 29 PHE H . . 2.880 2.266 2.147 2.393 . 0 0 "[ . 1 . 2 ]" 1 669 1 28 ALA HA 1 42 VAL QG . . 3.650 2.792 1.944 3.503 . 0 0 "[ . 1 . 2 ]" 1 670 1 28 ALA MB 1 29 PHE H . . 4.120 3.624 3.486 3.705 . 0 0 "[ . 1 . 2 ]" 1 671 1 28 ALA MB 1 30 VAL H . . 5.500 4.194 3.877 5.072 . 0 0 "[ . 1 . 2 ]" 1 672 1 28 ALA MB 1 30 VAL QG . . 3.050 2.657 2.366 2.852 . 0 0 "[ . 1 . 2 ]" 1 673 1 28 ALA MB 1 41 SER H . . 5.500 4.491 3.891 4.963 . 0 0 "[ . 1 . 2 ]" 1 674 1 29 PHE H 1 29 PHE HB2 . . 3.580 2.198 2.079 2.323 . 0 0 "[ . 1 . 2 ]" 1 675 1 29 PHE H 1 29 PHE HB3 . . 3.940 3.405 3.346 3.511 . 0 0 "[ . 1 . 2 ]" 1 676 1 29 PHE H 1 29 PHE QD . . 3.770 3.855 3.801 3.881 0.111 18 0 "[ . 1 . 2 ]" 1 677 1 29 PHE H 1 30 VAL H . . 4.980 4.152 4.023 4.545 . 0 0 "[ . 1 . 2 ]" 1 678 1 29 PHE H 1 30 VAL QG . . 4.520 4.319 4.094 4.456 . 0 0 "[ . 1 . 2 ]" 1 679 1 29 PHE H 1 41 SER QB . . 4.240 3.083 2.579 3.459 . 0 0 "[ . 1 . 2 ]" 1 680 1 29 PHE H 1 42 VAL H . . 5.500 4.925 4.619 5.201 . 0 0 "[ . 1 . 2 ]" 1 681 1 29 PHE H 1 42 VAL QG . . 5.500 4.351 3.410 4.976 . 0 0 "[ . 1 . 2 ]" 1 682 1 29 PHE H 1 63 LYS QE . . 5.500 5.664 5.261 6.316 0.816 13 1 "[ . 1 + . 2 ]" 1 683 1 29 PHE HA 1 29 PHE QD . . 3.140 2.328 2.125 2.461 . 0 0 "[ . 1 . 2 ]" 1 684 1 29 PHE HA 1 30 VAL H . . 2.990 2.200 2.142 2.301 . 0 0 "[ . 1 . 2 ]" 1 685 1 29 PHE HA 1 30 VAL HA . . 4.580 4.506 4.478 4.550 . 0 0 "[ . 1 . 2 ]" 1 686 1 29 PHE HA 1 30 VAL QG . . 4.090 3.708 3.280 3.970 . 0 0 "[ . 1 . 2 ]" 1 687 1 29 PHE HB2 1 30 VAL H . . 4.830 4.619 4.321 4.701 . 0 0 "[ . 1 . 2 ]" 1 688 1 29 PHE HB2 1 41 SER QB . . 3.900 2.663 2.247 2.997 . 0 0 "[ . 1 . 2 ]" 1 689 1 29 PHE HB2 1 63 LYS HB3 . . 4.350 4.601 3.981 5.072 0.722 13 3 "[ * 1- + . 2 ]" 1 690 1 29 PHE HB3 1 30 VAL H . . 4.360 3.981 3.226 4.168 . 0 0 "[ . 1 . 2 ]" 1 691 1 29 PHE HB3 1 41 SER QB . . 4.490 2.962 2.647 3.341 . 0 0 "[ . 1 . 2 ]" 1 692 1 29 PHE QD 1 30 VAL H . . 4.610 3.631 2.887 3.924 . 0 0 "[ . 1 . 2 ]" 1 693 1 29 PHE QD 1 60 VAL HB . . 4.020 4.536 4.437 4.681 0.661 5 9 "[* -+** ** . * 2* ]" 1 694 1 29 PHE QD 1 60 VAL QG . . 2.970 3.112 3.063 3.143 0.173 5 0 "[ . 1 . 2 ]" 1 695 1 29 PHE QD 1 63 LYS HB2 . . 3.480 3.431 3.129 3.631 0.151 14 0 "[ . 1 . 2 ]" 1 696 1 29 PHE QD 1 63 LYS QE . . 3.410 3.264 2.423 3.522 0.112 13 0 "[ . 1 . 2 ]" 1 697 1 29 PHE QD 1 63 LYS QG . . 4.210 3.125 2.744 4.223 0.013 14 0 "[ . 1 . 2 ]" 1 698 1 29 PHE QD 1 65 ALA MB . . 3.260 3.431 3.134 3.475 0.215 12 0 "[ . 1 . 2 ]" 1 699 1 29 PHE QD 1 86 VAL QG . . 3.750 5.517 5.341 5.774 2.024 13 22 [************+-********] 1 700 1 29 PHE QE 1 60 VAL H . . 5.220 4.815 4.660 5.099 . 0 0 "[ . 1 . 2 ]" 1 701 1 29 PHE QE 1 60 VAL HB . . 3.110 2.253 2.134 2.406 . 0 0 "[ . 1 . 2 ]" 1 702 1 29 PHE QE 1 60 VAL QG . . 3.370 2.056 2.009 2.129 . 0 0 "[ . 1 . 2 ]" 1 703 1 29 PHE QE 1 68 VAL HB . . 3.750 5.890 5.568 6.072 2.322 17 22 [**-*************+*****] 1 704 1 29 PHE QE 1 68 VAL QG . . 3.770 2.976 2.573 3.127 . 0 0 "[ . 1 . 2 ]" 1 705 1 29 PHE QE 1 80 ALA MB . . 4.260 6.995 6.565 7.495 3.235 13 22 [***********-+*********] 1 706 1 29 PHE QE 1 86 VAL QG . . 3.080 3.952 3.786 4.151 1.071 13 22 [************+***-*****] 1 707 1 29 PHE HZ 1 60 VAL HB . . 4.180 2.509 2.254 2.801 . 0 0 "[ . 1 . 2 ]" 1 708 1 29 PHE HZ 1 60 VAL QG . . 4.230 3.237 3.073 3.369 . 0 0 "[ . 1 . 2 ]" 1 709 1 29 PHE HZ 1 68 VAL HB . . 3.940 6.715 6.233 7.056 3.116 6 22 [*****+*************-**] 1 710 1 29 PHE HZ 1 68 VAL QG . . 3.140 3.464 3.081 3.725 0.585 6 4 "[ .+ -1 * * 2 ]" 1 711 1 29 PHE HZ 1 80 ALA MB . . 4.250 6.699 6.187 7.254 3.004 11 22 [********-*+***********] 1 712 1 29 PHE HZ 1 86 VAL QG . . 3.000 4.005 3.895 4.080 1.080 4 22 [***+*********-********] 1 713 1 30 VAL H 1 30 VAL HB . . 3.460 2.582 2.339 2.779 . 0 0 "[ . 1 . 2 ]" 1 714 1 30 VAL H 1 30 VAL QG . . 3.350 2.241 2.003 2.902 . 0 0 "[ . 1 . 2 ]" 1 715 1 30 VAL H 1 31 LYS H . . 5.100 4.597 4.336 4.687 . 0 0 "[ . 1 . 2 ]" 1 716 1 30 VAL H 1 41 SER H . . 5.500 4.635 4.322 4.808 . 0 0 "[ . 1 . 2 ]" 1 717 1 30 VAL HA 1 30 VAL QG . . 3.060 2.162 2.106 2.221 . 0 0 "[ . 1 . 2 ]" 1 718 1 30 VAL HA 1 31 LYS H . . 3.030 2.407 2.229 2.573 . 0 0 "[ . 1 . 2 ]" 1 719 1 30 VAL HA 1 31 LYS QE . . 2.870 5.887 4.467 6.365 3.495 10 22 [*-*******+************] 1 720 1 30 VAL HA 1 31 LYS HG3 . . 4.350 3.709 3.268 4.228 . 0 0 "[ . 1 . 2 ]" 1 721 1 30 VAL HA 1 41 SER H . . 2.990 3.035 2.727 3.115 0.125 4 0 "[ . 1 . 2 ]" 1 722 1 30 VAL HA 1 41 SER QB . . 3.630 4.367 3.660 4.708 1.078 19 16 "[* ******* **-** *+* ]" 1 723 1 30 VAL HB 1 31 LYS H . . 5.070 3.742 3.484 4.031 . 0 0 "[ . 1 . 2 ]" 1 724 1 30 VAL QG 1 31 LYS H . . 3.500 2.227 2.004 2.512 . 0 0 "[ . 1 . 2 ]" 1 725 1 30 VAL QG 1 37 ILE HA . . 3.850 3.171 2.919 3.641 . 0 0 "[ . 1 . 2 ]" 1 726 1 30 VAL QG 1 39 ASP QB . . 4.340 4.674 4.430 5.144 0.804 19 3 "[ -.* 1 . +2 ]" 1 727 1 30 VAL QG 1 40 ILE HA . . 3.660 2.723 2.056 3.138 . 0 0 "[ . 1 . 2 ]" 1 728 1 30 VAL QG 1 41 SER H . . 4.390 3.544 2.781 3.872 . 0 0 "[ . 1 . 2 ]" 1 729 1 30 VAL QG 1 41 SER QB . . 3.890 4.793 4.175 5.075 1.185 4 21 "[***+****** *********-*]" 1 730 1 31 LYS H 1 31 LYS QB . . 3.440 2.483 2.317 2.649 . 0 0 "[ . 1 . 2 ]" 1 731 1 31 LYS H 1 31 LYS QD . . 5.500 4.382 4.121 4.618 . 0 0 "[ . 1 . 2 ]" 1 732 1 31 LYS H 1 31 LYS HG2 . . 5.350 3.529 3.234 3.813 . 0 0 "[ . 1 . 2 ]" 1 733 1 31 LYS H 1 31 LYS HG3 . . 5.500 2.809 2.505 3.105 . 0 0 "[ . 1 . 2 ]" 1 734 1 31 LYS H 1 37 ILE HA . . 5.500 4.603 4.259 5.240 . 0 0 "[ . 1 . 2 ]" 1 735 1 31 LYS H 1 37 ILE MG . . 5.230 3.389 2.993 3.903 . 0 0 "[ . 1 . 2 ]" 1 736 1 31 LYS H 1 38 ALA MB . . 5.500 3.896 3.530 4.339 . 0 0 "[ . 1 . 2 ]" 1 737 1 31 LYS H 1 39 ASP H . . 3.760 2.945 2.714 3.201 . 0 0 "[ . 1 . 2 ]" 1 738 1 31 LYS H 1 39 ASP QB . . 4.640 3.827 3.468 4.271 . 0 0 "[ . 1 . 2 ]" 1 739 1 31 LYS H 1 40 ILE H . . 5.500 5.018 4.857 5.368 . 0 0 "[ . 1 . 2 ]" 1 740 1 31 LYS H 1 41 SER H . . 5.500 4.941 4.508 5.228 . 0 0 "[ . 1 . 2 ]" 1 741 1 31 LYS HA 1 31 LYS QD . . 4.320 3.992 3.483 4.215 . 0 0 "[ . 1 . 2 ]" 1 742 1 31 LYS HA 1 31 LYS QE . . 4.750 3.708 2.991 4.583 . 0 0 "[ . 1 . 2 ]" 1 743 1 31 LYS HA 1 31 LYS HG2 . . 3.920 2.333 2.188 2.453 . 0 0 "[ . 1 . 2 ]" 1 744 1 31 LYS HA 1 31 LYS HG3 . . 4.110 3.276 3.147 3.510 . 0 0 "[ . 1 . 2 ]" 1 745 1 31 LYS HA 1 32 VAL H . . 2.870 2.729 2.606 2.818 . 0 0 "[ . 1 . 2 ]" 1 746 1 31 LYS HA 1 32 VAL QG . . 3.630 3.655 3.317 3.793 0.163 1 0 "[ . 1 . 2 ]" 1 747 1 31 LYS HA 1 39 ASP H . . 5.270 4.970 4.754 5.198 . 0 0 "[ . 1 . 2 ]" 1 748 1 31 LYS QB 1 31 LYS QD . . 3.030 2.305 2.102 2.526 . 0 0 "[ . 1 . 2 ]" 1 749 1 31 LYS QB 1 32 VAL H . . 4.220 2.070 1.903 2.268 . 0 0 "[ . 1 . 2 ]" 1 750 1 31 LYS QB 1 38 ALA MB . . 2.650 2.084 1.927 2.395 . 0 0 "[ . 1 . 2 ]" 1 751 1 31 LYS QB 1 39 ASP H . . 3.470 2.433 2.199 2.824 . 0 0 "[ . 1 . 2 ]" 1 752 1 31 LYS QB 1 39 ASP QB . . 3.520 2.603 2.250 3.199 . 0 0 "[ . 1 . 2 ]" 1 753 1 31 LYS QD 1 32 VAL H . . 4.810 4.376 3.766 4.840 0.030 10 0 "[ . 1 . 2 ]" 1 754 1 31 LYS QD 1 39 ASP H . . 4.330 4.421 4.171 4.485 0.155 19 0 "[ . 1 . 2 ]" 1 755 1 31 LYS QD 1 39 ASP QB . . 3.800 2.465 2.021 3.404 . 0 0 "[ . 1 . 2 ]" 1 756 1 31 LYS QE 1 31 LYS HG2 . . 3.810 2.286 2.088 2.538 . 0 0 "[ . 1 . 2 ]" 1 757 1 31 LYS QE 1 31 LYS HG3 . . 3.890 3.046 2.184 3.402 . 0 0 "[ . 1 . 2 ]" 1 758 1 31 LYS QE 1 41 SER QB . . 4.420 5.159 2.265 6.303 1.883 16 16 "[* * **** * ***+ **-**]" 1 759 1 31 LYS HG2 1 32 VAL H . . 4.960 4.214 4.062 4.505 . 0 0 "[ . 1 . 2 ]" 1 760 1 31 LYS HG2 1 39 ASP QB . . 5.100 4.087 3.595 4.789 . 0 0 "[ . 1 . 2 ]" 1 761 1 31 LYS HG3 1 32 VAL H . . 4.630 4.819 4.691 4.967 0.337 12 0 "[ . 1 . 2 ]" 1 762 1 31 LYS HG3 1 39 ASP QB . . 5.050 2.649 2.164 3.264 . 0 0 "[ . 1 . 2 ]" 1 763 1 32 VAL H 1 32 VAL HB . . 3.400 3.261 2.900 3.522 0.122 4 0 "[ . 1 . 2 ]" 1 764 1 32 VAL H 1 32 VAL QG . . 3.300 2.776 2.407 3.121 . 0 0 "[ . 1 . 2 ]" 1 765 1 32 VAL H 1 33 LYS H . . 4.960 4.130 3.936 4.212 . 0 0 "[ . 1 . 2 ]" 1 766 1 32 VAL H 1 39 ASP H . . 5.500 4.845 4.509 5.070 . 0 0 "[ . 1 . 2 ]" 1 767 1 32 VAL HA 1 32 VAL QG . . 2.700 2.328 2.221 2.494 . 0 0 "[ . 1 . 2 ]" 1 768 1 32 VAL HA 1 33 LYS H . . 2.860 2.189 2.110 2.262 . 0 0 "[ . 1 . 2 ]" 1 769 1 32 VAL HA 1 33 LYS HB3 . . 4.550 4.504 4.304 4.962 0.412 20 0 "[ . 1 . 2 ]" 1 770 1 32 VAL HA 1 36 ALA H . . 4.240 4.263 3.830 4.345 0.105 17 0 "[ . 1 . 2 ]" 1 771 1 32 VAL HA 1 37 ILE H . . 5.500 4.770 4.188 4.948 . 0 0 "[ . 1 . 2 ]" 1 772 1 32 VAL HA 1 37 ILE HA . . 3.380 3.038 2.709 3.314 . 0 0 "[ . 1 . 2 ]" 1 773 1 32 VAL HA 1 38 ALA H . . 3.950 3.796 3.774 3.809 . 0 0 "[ . 1 . 2 ]" 1 774 1 32 VAL HA 1 38 ALA MB . . 3.980 2.895 2.666 3.108 . 0 0 "[ . 1 . 2 ]" 1 775 1 32 VAL HB 1 33 LYS H . . 4.480 4.019 3.613 4.292 . 0 0 "[ . 1 . 2 ]" 1 776 1 32 VAL HB 1 36 ALA H . . 5.500 5.388 4.640 5.569 0.069 21 0 "[ . 1 . 2 ]" 1 777 1 32 VAL QG 1 33 LYS H . . 3.090 2.467 2.150 2.928 . 0 0 "[ . 1 . 2 ]" 1 778 1 32 VAL QG 1 34 ASN QB . . 5.310 4.672 4.045 5.192 . 0 0 "[ . 1 . 2 ]" 1 779 1 32 VAL QG 1 35 ASN H . . 4.280 3.026 2.183 3.904 . 0 0 "[ . 1 . 2 ]" 1 780 1 32 VAL QG 1 35 ASN HA . . 3.350 2.574 2.143 2.998 . 0 0 "[ . 1 . 2 ]" 1 781 1 32 VAL QG 1 35 ASN QB . . 4.730 4.091 3.727 4.418 . 0 0 "[ . 1 . 2 ]" 1 782 1 32 VAL QG 1 36 ALA H . . 3.440 2.722 2.136 2.939 . 0 0 "[ . 1 . 2 ]" 1 783 1 32 VAL QG 1 37 ILE HA . . 3.130 3.533 3.194 3.982 0.852 4 9 "[ * +* * 1** *.- * 2 ]" 1 784 1 32 VAL QG 1 38 ALA H . . 4.500 4.563 4.418 4.676 0.176 4 0 "[ . 1 . 2 ]" 1 785 1 33 LYS H 1 33 LYS HB2 . . 3.810 3.188 2.630 3.569 . 0 0 "[ . 1 . 2 ]" 1 786 1 33 LYS H 1 33 LYS HB3 . . 3.740 2.637 2.459 2.901 . 0 0 "[ . 1 . 2 ]" 1 787 1 33 LYS H 1 33 LYS QE . . 4.720 4.403 3.329 4.857 0.137 14 0 "[ . 1 . 2 ]" 1 788 1 33 LYS H 1 35 ASN HA . . 5.500 4.939 4.502 5.425 . 0 0 "[ . 1 . 2 ]" 1 789 1 33 LYS H 1 36 ALA H . . 3.370 2.785 2.518 3.070 . 0 0 "[ . 1 . 2 ]" 1 790 1 33 LYS H 1 37 ILE HA . . 4.330 4.237 3.895 4.414 0.084 7 0 "[ . 1 . 2 ]" 1 791 1 33 LYS H 1 38 ALA H . . 4.380 3.261 2.670 3.675 . 0 0 "[ . 1 . 2 ]" 1 792 1 33 LYS H 1 38 ALA MB . . 4.040 2.731 2.518 3.069 . 0 0 "[ . 1 . 2 ]" 1 793 1 33 LYS H 1 39 ASP H . . 5.390 5.370 4.872 5.502 0.112 18 0 "[ . 1 . 2 ]" 1 794 1 33 LYS HA 1 33 LYS QG . . 3.740 2.783 2.200 3.209 . 0 0 "[ . 1 . 2 ]" 1 795 1 33 LYS HB3 1 33 LYS QE . . 4.440 3.192 2.019 3.940 . 0 0 "[ . 1 . 2 ]" 1 796 1 33 LYS HB3 1 34 ASN QB . . 5.500 4.366 3.736 4.805 . 0 0 "[ . 1 . 2 ]" 1 797 1 33 LYS HB3 1 36 ALA H . . 5.500 3.850 2.531 4.343 . 0 0 "[ . 1 . 2 ]" 1 798 1 33 LYS HB3 1 36 ALA MB . . 3.710 3.195 2.293 3.866 0.156 8 0 "[ . 1 . 2 ]" 1 799 1 33 LYS HB3 1 38 ALA HA . . 3.400 3.118 2.416 4.314 0.914 15 1 "[ . 1 + 2 ]" 1 800 1 33 LYS HD2 1 33 LYS QE . . 2.740 2.370 2.178 2.505 . 0 0 "[ . 1 . 2 ]" 1 801 1 33 LYS HD2 1 33 LYS QG . . 2.790 2.312 2.106 2.541 . 0 0 "[ . 1 . 2 ]" 1 802 1 33 LYS QE 1 33 LYS QG . . 3.070 2.259 2.053 2.528 . 0 0 "[ . 1 . 2 ]" 1 803 1 33 LYS QE 1 34 ASN HA . . 4.210 4.131 3.381 4.377 0.167 21 0 "[ . 1 . 2 ]" 1 804 1 33 LYS QE 1 34 ASN QB . . 3.290 2.589 1.918 3.353 0.063 15 0 "[ . 1 . 2 ]" 1 805 1 33 LYS QE 1 35 ASN H . . 4.190 4.778 3.067 5.562 1.372 8 17 "[****.**+ * ** ***-*2**]" 1 806 1 33 LYS QG 1 34 ASN QB . . 4.290 2.972 2.511 3.511 . 0 0 "[ . 1 . 2 ]" 1 807 1 34 ASN HA 1 35 ASN H . . 3.610 3.110 2.398 3.636 0.026 15 0 "[ . 1 . 2 ]" 1 808 1 34 ASN QB 1 35 ASN H . . 4.360 3.090 2.004 3.975 . 0 0 "[ . 1 . 2 ]" 1 809 1 34 ASN QB 1 36 ALA H . . 5.500 3.896 3.516 4.526 . 0 0 "[ . 1 . 2 ]" 1 810 1 35 ASN H 1 36 ALA H . . 3.710 2.463 1.625 3.086 . 0 0 "[ . 1 . 2 ]" 1 811 1 35 ASN H 1 36 ALA MB . . 5.430 4.063 3.212 4.906 . 0 0 "[ . 1 . 2 ]" 1 812 1 35 ASN HA 1 35 ASN QB . . 2.800 2.456 2.122 2.582 . 0 0 "[ . 1 . 2 ]" 1 813 1 35 ASN HA 1 36 ALA H . . 3.480 3.118 2.585 3.280 . 0 0 "[ . 1 . 2 ]" 1 814 1 35 ASN HA 1 36 ALA HA . . 4.450 4.493 4.121 4.589 0.139 4 0 "[ . 1 . 2 ]" 1 815 1 35 ASN HA 1 104 LEU QD . . 3.710 3.199 2.471 3.822 0.112 15 0 "[ . 1 . 2 ]" 1 816 1 35 ASN QB 1 36 ALA H . . 4.780 3.751 3.621 4.036 . 0 0 "[ . 1 . 2 ]" 1 817 1 35 ASN QB 1 104 LEU QB . . 4.170 5.020 4.214 5.856 1.686 15 18 "[***** * *-****+ * ****]" 1 818 1 35 ASN QB 1 104 LEU QD . . 4.360 3.790 2.990 4.248 . 0 0 "[ . 1 . 2 ]" 1 819 1 36 ALA H 1 36 ALA MB . . 3.040 2.446 2.304 2.661 . 0 0 "[ . 1 . 2 ]" 1 820 1 36 ALA H 1 37 ILE H . . 5.200 4.437 4.319 4.514 . 0 0 "[ . 1 . 2 ]" 1 821 1 36 ALA H 1 37 ILE HA . . 5.500 5.147 4.930 5.294 . 0 0 "[ . 1 . 2 ]" 1 822 1 36 ALA H 1 38 ALA H . . 5.320 4.449 4.138 4.883 . 0 0 "[ . 1 . 2 ]" 1 823 1 36 ALA H 1 104 LEU QD . . 4.460 4.111 3.634 4.504 0.044 20 0 "[ . 1 . 2 ]" 1 824 1 36 ALA HA 1 37 ILE H . . 3.040 2.633 2.425 2.979 . 0 0 "[ . 1 . 2 ]" 1 825 1 36 ALA HA 1 37 ILE HB . . 4.720 4.651 4.523 4.821 0.101 15 0 "[ . 1 . 2 ]" 1 826 1 36 ALA HA 1 104 LEU QD . . 3.180 3.135 2.703 3.332 0.152 14 0 "[ . 1 . 2 ]" 1 827 1 36 ALA MB 1 37 ILE H . . 3.060 2.362 2.061 2.625 . 0 0 "[ . 1 . 2 ]" 1 828 1 36 ALA MB 1 37 ILE HB . . 4.840 3.908 3.724 4.286 . 0 0 "[ . 1 . 2 ]" 1 829 1 36 ALA MB 1 38 ALA H . . 3.680 2.943 2.594 3.188 . 0 0 "[ . 1 . 2 ]" 1 830 1 37 ILE H 1 37 ILE HB . . 3.030 2.096 1.954 2.272 . 0 0 "[ . 1 . 2 ]" 1 831 1 37 ILE H 1 37 ILE MD . . 3.990 2.331 2.040 2.834 . 0 0 "[ . 1 . 2 ]" 1 832 1 37 ILE H 1 37 ILE QG . . 3.890 3.493 3.316 3.864 . 0 0 "[ . 1 . 2 ]" 1 833 1 37 ILE H 1 37 ILE MG . . 3.790 3.579 3.328 3.742 . 0 0 "[ . 1 . 2 ]" 1 834 1 37 ILE H 1 38 ALA H . . 4.790 2.849 2.163 3.015 . 0 0 "[ . 1 . 2 ]" 1 835 1 37 ILE H 1 39 ASP H . . 5.500 5.561 5.372 5.589 0.089 9 0 "[ . 1 . 2 ]" 1 836 1 37 ILE HA 1 37 ILE QG . . 3.180 2.358 2.213 2.516 . 0 0 "[ . 1 . 2 ]" 1 837 1 37 ILE HA 1 37 ILE MG . . 3.260 2.858 2.714 3.070 . 0 0 "[ . 1 . 2 ]" 1 838 1 37 ILE HA 1 38 ALA H . . 3.450 3.422 3.352 3.487 0.037 4 0 "[ . 1 . 2 ]" 1 839 1 37 ILE HA 1 38 ALA MB . . 4.100 4.236 4.216 4.254 0.154 4 0 "[ . 1 . 2 ]" 1 840 1 37 ILE HA 1 39 ASP H . . 4.290 4.174 4.059 4.277 . 0 0 "[ . 1 . 2 ]" 1 841 1 37 ILE HB 1 37 ILE MD . . 3.580 2.422 2.287 2.560 . 0 0 "[ . 1 . 2 ]" 1 842 1 37 ILE HB 1 38 ALA H . . 4.380 3.415 3.180 3.599 . 0 0 "[ . 1 . 2 ]" 1 843 1 37 ILE MD 1 38 ALA H . . 5.360 4.470 4.350 4.678 . 0 0 "[ . 1 . 2 ]" 1 844 1 37 ILE QG 1 38 ALA H . . 4.970 4.827 4.756 4.923 . 0 0 "[ . 1 . 2 ]" 1 845 1 37 ILE QG 1 39 ASP H . . 5.060 4.836 4.445 5.096 0.036 19 0 "[ . 1 . 2 ]" 1 846 1 37 ILE MG 1 38 ALA H . . 3.520 3.369 3.032 3.582 0.062 15 0 "[ . 1 . 2 ]" 1 847 1 37 ILE MG 1 38 ALA MB . . 4.590 3.884 3.804 4.008 . 0 0 "[ . 1 . 2 ]" 1 848 1 37 ILE MG 1 39 ASP H . . 3.310 2.565 2.344 2.772 . 0 0 "[ . 1 . 2 ]" 1 849 1 37 ILE MG 1 39 ASP HA . . 3.960 3.316 2.664 3.663 . 0 0 "[ . 1 . 2 ]" 1 850 1 37 ILE MG 1 40 ILE QG . . 3.490 2.542 2.146 3.238 . 0 0 "[ . 1 . 2 ]" 1 851 1 38 ALA H 1 38 ALA MB . . 2.990 2.928 2.779 3.047 0.057 20 0 "[ . 1 . 2 ]" 1 852 1 38 ALA H 1 39 ASP H . . 3.810 3.786 3.663 3.881 0.071 4 0 "[ . 1 . 2 ]" 1 853 1 38 ALA MB 1 39 ASP H . . 3.100 2.343 2.149 2.510 . 0 0 "[ . 1 . 2 ]" 1 854 1 38 ALA MB 1 39 ASP QB . . 3.760 2.726 2.380 3.334 . 0 0 "[ . 1 . 2 ]" 1 855 1 39 ASP H 1 39 ASP QB . . 3.810 2.781 2.586 3.039 . 0 0 "[ . 1 . 2 ]" 1 856 1 39 ASP H 1 40 ILE H . . 4.480 4.355 4.263 4.475 . 0 0 "[ . 1 . 2 ]" 1 857 1 39 ASP QB 1 40 ILE H . . 3.950 3.085 2.671 3.573 . 0 0 "[ . 1 . 2 ]" 1 858 1 39 ASP QB 1 41 SER H . . 5.500 5.281 5.020 5.397 . 0 0 "[ . 1 . 2 ]" 1 859 1 40 ILE H 1 40 ILE HB . . 3.380 2.479 2.303 2.869 . 0 0 "[ . 1 . 2 ]" 1 860 1 40 ILE H 1 40 ILE MD . . 4.530 4.358 3.725 4.666 0.136 5 0 "[ . 1 . 2 ]" 1 861 1 40 ILE H 1 40 ILE QG . . 4.300 3.071 2.447 3.358 . 0 0 "[ . 1 . 2 ]" 1 862 1 40 ILE H 1 40 ILE MG . . 4.210 3.735 3.433 3.955 . 0 0 "[ . 1 . 2 ]" 1 863 1 40 ILE H 1 41 SER H . . 4.490 4.364 4.162 4.589 0.099 20 0 "[ . 1 . 2 ]" 1 864 1 40 ILE H 1 41 SER HA . . 5.060 4.987 4.838 5.151 0.091 11 0 "[ . 1 . 2 ]" 1 865 1 40 ILE HA 1 40 ILE QG . . 3.620 2.652 2.216 2.989 . 0 0 "[ . 1 . 2 ]" 1 866 1 40 ILE HA 1 40 ILE MG . . 3.060 2.608 2.421 2.789 . 0 0 "[ . 1 . 2 ]" 1 867 1 40 ILE HA 1 41 SER H . . 2.930 2.269 2.110 2.424 . 0 0 "[ . 1 . 2 ]" 1 868 1 40 ILE HB 1 41 SER H . . 4.470 4.276 3.978 4.602 0.132 7 0 "[ . 1 . 2 ]" 1 869 1 40 ILE MD 1 40 ILE MG . . 3.050 2.064 1.967 2.259 . 0 0 "[ . 1 . 2 ]" 1 870 1 40 ILE QG 1 41 SER H . . 4.760 4.512 3.847 4.806 0.046 2 0 "[ . 1 . 2 ]" 1 871 1 40 ILE MG 1 41 SER H . . 3.350 2.731 2.298 3.335 . 0 0 "[ . 1 . 2 ]" 1 872 1 40 ILE MG 1 41 SER HA . . 3.570 3.392 2.811 3.688 0.118 2 0 "[ . 1 . 2 ]" 1 873 1 40 ILE MG 1 41 SER QB . . 5.260 4.328 3.972 4.666 . 0 0 "[ . 1 . 2 ]" 1 874 1 40 ILE MG 1 42 VAL H . . 5.180 2.875 2.227 3.791 . 0 0 "[ . 1 . 2 ]" 1 875 1 41 SER H 1 41 SER QB . . 3.380 2.519 2.298 3.038 . 0 0 "[ . 1 . 2 ]" 1 876 1 41 SER H 1 42 VAL H . . 4.830 3.764 3.217 4.330 . 0 0 "[ . 1 . 2 ]" 1 877 1 41 SER H 1 42 VAL QG . . 5.500 4.166 3.117 4.916 . 0 0 "[ . 1 . 2 ]" 1 878 1 41 SER HA 1 42 VAL H . . 2.770 2.333 2.197 2.492 . 0 0 "[ . 1 . 2 ]" 1 879 1 41 SER HA 1 42 VAL HB . . 4.500 4.925 4.409 5.222 0.722 11 8 "[* . *+ **-* 2* ]" 1 880 1 41 SER HA 1 42 VAL QG . . 4.150 3.900 3.555 4.152 0.002 10 0 "[ . 1 . 2 ]" 1 881 1 41 SER HA 1 43 GLU H . . 4.710 4.709 4.348 4.822 0.112 3 0 "[ . 1 . 2 ]" 1 882 1 41 SER QB 1 42 VAL H . . 3.870 3.780 2.687 4.078 0.208 2 0 "[ . 1 . 2 ]" 1 883 1 42 VAL H 1 42 VAL HB . . 3.480 2.882 2.501 3.232 . 0 0 "[ . 1 . 2 ]" 1 884 1 42 VAL H 1 42 VAL QG . . 3.290 2.278 1.933 2.926 . 0 0 "[ . 1 . 2 ]" 1 885 1 42 VAL H 1 43 GLU H . . 4.660 3.761 3.057 4.076 . 0 0 "[ . 1 . 2 ]" 1 886 1 42 VAL HA 1 42 VAL QG . . 2.590 2.236 2.123 2.360 . 0 0 "[ . 1 . 2 ]" 1 887 1 42 VAL HA 1 43 GLU H . . 2.870 2.209 2.024 2.410 . 0 0 "[ . 1 . 2 ]" 1 888 1 42 VAL HA 1 43 GLU QG . . 4.310 4.014 3.921 4.157 . 0 0 "[ . 1 . 2 ]" 1 889 1 42 VAL HB 1 43 GLU H . . 4.520 4.463 4.281 4.599 0.079 8 0 "[ . 1 . 2 ]" 1 890 1 42 VAL QG 1 43 GLU H . . 3.980 3.467 3.170 3.711 . 0 0 "[ . 1 . 2 ]" 1 891 1 42 VAL QG 1 44 GLU H . . 5.500 5.074 4.626 5.439 . 0 0 "[ . 1 . 2 ]" 1 892 1 42 VAL QG 1 44 GLU HA . . 4.920 4.851 4.564 5.010 0.090 17 0 "[ . 1 . 2 ]" 1 893 1 43 GLU H 1 43 GLU HB2 . . 3.630 2.517 2.252 2.733 . 0 0 "[ . 1 . 2 ]" 1 894 1 43 GLU H 1 43 GLU HB3 . . 4.050 3.642 3.503 3.761 . 0 0 "[ . 1 . 2 ]" 1 895 1 43 GLU H 1 43 GLU QG . . 3.670 2.439 2.097 2.812 . 0 0 "[ . 1 . 2 ]" 1 896 1 43 GLU H 1 44 GLU H . . 4.880 4.574 4.475 4.687 . 0 0 "[ . 1 . 2 ]" 1 897 1 43 GLU H 1 44 GLU HA . . 5.500 5.370 4.969 5.530 0.030 6 0 "[ . 1 . 2 ]" 1 898 1 43 GLU HA 1 43 GLU QG . . 3.060 2.870 2.257 3.198 0.138 19 0 "[ . 1 . 2 ]" 1 899 1 43 GLU HA 1 44 GLU H . . 2.710 2.322 2.141 2.581 . 0 0 "[ . 1 . 2 ]" 1 900 1 43 GLU HA 1 44 GLU HG3 . . 4.800 4.086 3.132 4.933 0.133 1 0 "[ . 1 . 2 ]" 1 901 1 43 GLU HB2 1 44 GLU H . . 4.280 3.849 3.351 4.387 0.107 12 0 "[ . 1 . 2 ]" 1 902 1 43 GLU HB2 1 59 PHE QE . . 4.450 3.850 3.407 4.225 . 0 0 "[ . 1 . 2 ]" 1 903 1 43 GLU HB3 1 44 GLU H . . 3.710 2.914 2.499 3.666 . 0 0 "[ . 1 . 2 ]" 1 904 1 44 GLU H 1 44 GLU HB2 . . 3.280 2.463 2.195 2.835 . 0 0 "[ . 1 . 2 ]" 1 905 1 44 GLU H 1 44 GLU HB3 . . 3.550 3.557 3.460 3.641 0.091 16 0 "[ . 1 . 2 ]" 1 906 1 44 GLU H 1 44 GLU HG2 . . 3.630 3.496 2.727 3.762 0.132 1 0 "[ . 1 . 2 ]" 1 907 1 44 GLU H 1 44 GLU HG3 . . 3.880 2.509 2.120 3.128 . 0 0 "[ . 1 . 2 ]" 1 908 1 44 GLU H 1 45 ASN H . . 4.740 4.620 4.487 4.735 . 0 0 "[ . 1 . 2 ]" 1 909 1 44 GLU HA 1 44 GLU HG3 . . 3.920 2.926 2.323 3.684 . 0 0 "[ . 1 . 2 ]" 1 910 1 44 GLU HA 1 45 ASN H . . 2.900 2.339 2.154 2.526 . 0 0 "[ . 1 . 2 ]" 1 911 1 44 GLU HB2 1 45 ASN H . . 3.880 3.791 3.262 4.008 0.128 4 0 "[ . 1 . 2 ]" 1 912 1 44 GLU HB3 1 45 ASN H . . 3.790 2.752 2.169 3.222 . 0 0 "[ . 1 . 2 ]" 1 913 1 44 GLU HG3 1 45 ASN H . . 4.720 4.793 4.020 5.397 0.677 13 3 "[ . -1 + .* 2 ]" 1 914 1 45 ASN H 1 45 ASN QB . . 3.530 2.292 2.191 2.522 . 0 0 "[ . 1 . 2 ]" 1 915 1 45 ASN H 1 46 PRO HA . . 5.500 5.149 4.638 5.568 0.068 12 0 "[ . 1 . 2 ]" 1 916 1 45 ASN HA 1 46 PRO QD . . 3.040 2.073 1.998 2.158 . 0 0 "[ . 1 . 2 ]" 1 917 1 45 ASN HA 1 47 LEU H . . 4.670 3.734 3.501 4.324 . 0 0 "[ . 1 . 2 ]" 1 918 1 45 ASN HA 1 59 PHE QE . . 4.110 3.572 3.088 4.292 0.182 12 0 "[ . 1 . 2 ]" 1 919 1 45 ASN QB 1 46 PRO QD . . 3.200 3.572 2.459 3.814 0.614 3 7 "[ + ** -1 . * 2**]" 1 920 1 45 ASN QB 1 47 LEU H . . 5.500 3.358 2.791 4.086 . 0 0 "[ . 1 . 2 ]" 1 921 1 45 ASN QB 1 48 ALA H . . 5.000 3.171 2.530 3.674 . 0 0 "[ . 1 . 2 ]" 1 922 1 45 ASN QB 1 48 ALA MB . . 3.470 2.156 2.026 2.644 . 0 0 "[ . 1 . 2 ]" 1 923 1 46 PRO HB2 1 48 ALA H . . 5.500 5.701 5.418 6.063 0.563 1 2 "[+ . - . 2 ]" 1 924 1 46 PRO QD 1 47 LEU H . . 4.070 2.878 2.464 3.220 . 0 0 "[ . 1 . 2 ]" 1 925 1 46 PRO QD 1 48 ALA H . . 5.500 4.926 4.419 5.165 . 0 0 "[ . 1 . 2 ]" 1 926 1 46 PRO QD 1 59 PHE QB . . 4.890 3.596 3.213 4.204 . 0 0 "[ . 1 . 2 ]" 1 927 1 46 PRO QD 1 59 PHE QD . . 4.530 2.952 2.454 3.541 . 0 0 "[ . 1 . 2 ]" 1 928 1 46 PRO QD 1 59 PHE QE . . 4.060 3.055 2.740 3.637 . 0 0 "[ . 1 . 2 ]" 1 929 1 46 PRO HG2 1 47 LEU QD . . 5.200 2.404 2.009 4.935 . 0 0 "[ . 1 . 2 ]" 1 930 1 46 PRO HG2 1 59 PHE QD . . 4.430 3.743 3.385 4.449 0.019 6 0 "[ . 1 . 2 ]" 1 931 1 46 PRO HG2 1 59 PHE QE . . 4.500 4.797 4.390 5.297 0.797 6 6 "[* .+ *** . -2 ]" 1 932 1 46 PRO HG3 1 47 LEU H . . 4.090 4.447 3.590 4.850 0.760 21 6 "[ . * *1 .*- *2+ ]" 1 933 1 46 PRO HG3 1 59 PHE QE . . 4.510 3.953 3.542 4.707 0.197 9 0 "[ . 1 . 2 ]" 1 934 1 47 LEU H 1 47 LEU HB2 . . 3.590 2.655 2.413 3.220 . 0 0 "[ . 1 . 2 ]" 1 935 1 47 LEU H 1 47 LEU HB3 . . 3.970 3.729 2.628 3.911 . 0 0 "[ . 1 . 2 ]" 1 936 1 47 LEU H 1 47 LEU QD . . 4.550 3.034 2.354 3.800 . 0 0 "[ . 1 . 2 ]" 1 937 1 47 LEU H 1 47 LEU HG . . 3.830 3.990 2.928 4.977 1.147 2 11 "[ +- . ** 1* *** *2**]" 1 938 1 47 LEU H 1 48 ALA H . . 3.450 2.709 2.458 2.925 . 0 0 "[ . 1 . 2 ]" 1 939 1 47 LEU H 1 48 ALA HA . . 5.500 4.192 3.853 4.601 . 0 0 "[ . 1 . 2 ]" 1 940 1 47 LEU H 1 48 ALA MB . . 4.090 4.032 3.753 4.235 0.145 11 0 "[ . 1 . 2 ]" 1 941 1 47 LEU H 1 49 GLN H . . 5.500 5.062 4.823 5.423 . 0 0 "[ . 1 . 2 ]" 1 942 1 47 LEU H 1 56 VAL QG . . 4.570 3.282 2.397 3.725 . 0 0 "[ . 1 . 2 ]" 1 943 1 47 LEU HA 1 47 LEU HB3 . . 3.020 2.496 2.249 3.000 . 0 0 "[ . 1 . 2 ]" 1 944 1 47 LEU HA 1 47 LEU QD . . 2.910 2.393 2.195 2.932 0.022 12 0 "[ . 1 . 2 ]" 1 945 1 47 LEU HA 1 47 LEU HG . . 3.800 3.300 2.400 3.905 0.105 21 0 "[ . 1 . 2 ]" 1 946 1 47 LEU HA 1 49 GLN H . . 4.620 3.607 3.218 4.161 . 0 0 "[ . 1 . 2 ]" 1 947 1 47 LEU HA 1 50 ASP HB2 . . 3.660 3.451 2.335 3.834 0.174 19 0 "[ . 1 . 2 ]" 1 948 1 47 LEU HA 1 50 ASP HB3 . . 4.430 2.814 2.157 3.606 . 0 0 "[ . 1 . 2 ]" 1 949 1 47 LEU HB2 1 48 ALA H . . 4.800 4.254 4.028 4.548 . 0 0 "[ . 1 . 2 ]" 1 950 1 47 LEU HB2 1 49 GLN H . . 5.500 5.540 5.203 5.588 0.088 11 0 "[ . 1 . 2 ]" 1 951 1 47 LEU HB2 1 56 VAL QG . . 3.750 2.110 1.935 3.752 0.002 2 0 "[ . 1 . 2 ]" 1 952 1 47 LEU HB3 1 48 ALA H . . 5.030 4.498 4.430 4.556 . 0 0 "[ . 1 . 2 ]" 1 953 1 47 LEU HB3 1 50 ASP H . . 5.500 3.999 3.442 5.102 . 0 0 "[ . 1 . 2 ]" 1 954 1 47 LEU HB3 1 50 ASP HB3 . . 4.470 3.910 2.274 5.144 0.674 21 1 "[ . 1 . 2+ ]" 1 955 1 47 LEU QD 1 48 ALA H . . 5.500 4.368 3.740 4.646 . 0 0 "[ . 1 . 2 ]" 1 956 1 47 LEU QD 1 50 ASP HB2 . . 4.680 3.895 2.939 4.714 0.034 20 0 "[ . 1 . 2 ]" 1 957 1 47 LEU QD 1 50 ASP HB3 . . 5.080 2.732 2.017 3.673 . 0 0 "[ . 1 . 2 ]" 1 958 1 47 LEU QD 1 55 ALA H . . 5.140 3.893 2.549 4.863 . 0 0 "[ . 1 . 2 ]" 1 959 1 47 LEU QD 1 55 ALA MB . . 3.340 2.251 1.918 3.245 . 0 0 "[ . 1 . 2 ]" 1 960 1 47 LEU QD 1 56 VAL H . . 5.410 3.199 1.822 3.920 . 0 0 "[ . 1 . 2 ]" 1 961 1 47 LEU QD 1 56 VAL HA . . 3.130 2.513 2.217 3.167 0.037 4 0 "[ . 1 . 2 ]" 1 962 1 47 LEU QD 1 56 VAL QG . . 4.070 2.916 1.950 3.280 . 0 0 "[ . 1 . 2 ]" 1 963 1 47 LEU QD 1 59 PHE QB . . 3.470 3.034 2.449 5.094 1.624 2 2 "[ + -. 1 . 2 ]" 1 964 1 47 LEU HG 1 55 ALA MB . . 3.490 3.165 2.000 5.899 2.409 5 10 "[* *+* * * .-** * ]" 1 965 1 47 LEU HG 1 56 VAL HA . . 4.540 3.982 3.198 4.731 0.191 16 0 "[ . 1 . 2 ]" 1 966 1 48 ALA H 1 48 ALA MB . . 3.050 2.207 2.020 2.277 . 0 0 "[ . 1 . 2 ]" 1 967 1 48 ALA H 1 49 GLN H . . 3.880 2.701 2.494 2.994 . 0 0 "[ . 1 . 2 ]" 1 968 1 48 ALA H 1 49 GLN HA . . 5.220 5.299 5.114 5.340 0.120 3 0 "[ . 1 . 2 ]" 1 969 1 48 ALA H 1 49 GLN QB . . 5.500 4.974 4.498 5.284 . 0 0 "[ . 1 . 2 ]" 1 970 1 48 ALA H 1 50 ASP H . . 5.500 4.155 3.433 5.181 . 0 0 "[ . 1 . 2 ]" 1 971 1 48 ALA HA 1 50 ASP H . . 5.500 4.870 4.319 5.370 . 0 0 "[ . 1 . 2 ]" 1 972 1 48 ALA HA 1 56 VAL QG . . 3.920 3.400 2.198 3.990 0.070 2 0 "[ . 1 . 2 ]" 1 973 1 48 ALA MB 1 49 GLN H . . 3.990 2.599 2.276 2.888 . 0 0 "[ . 1 . 2 ]" 1 974 1 48 ALA MB 1 49 GLN HA . . 4.330 4.222 4.043 4.392 0.062 6 0 "[ . 1 . 2 ]" 1 975 1 48 ALA MB 1 49 GLN QG . . 5.330 3.722 2.324 5.071 . 0 0 "[ . 1 . 2 ]" 1 976 1 48 ALA MB 1 50 ASP H . . 5.500 4.512 3.895 5.265 . 0 0 "[ . 1 . 2 ]" 1 977 1 49 GLN H 1 49 GLN QB . . 3.530 2.887 2.527 3.218 . 0 0 "[ . 1 . 2 ]" 1 978 1 49 GLN H 1 49 GLN QG . . 4.170 3.408 2.114 4.255 0.085 18 0 "[ . 1 . 2 ]" 1 979 1 49 GLN H 1 50 ASP H . . 3.960 2.328 1.845 3.242 . 0 0 "[ . 1 . 2 ]" 1 980 1 49 GLN H 1 50 ASP HB2 . . 5.500 3.614 2.856 4.338 . 0 0 "[ . 1 . 2 ]" 1 981 1 49 GLN H 1 50 ASP HB3 . . 5.500 4.174 3.175 4.836 . 0 0 "[ . 1 . 2 ]" 1 982 1 49 GLN H 1 52 VAL QG . . 5.390 4.574 3.594 5.542 0.152 13 0 "[ . 1 . 2 ]" 1 983 1 49 GLN HA 1 49 GLN QG . . 3.150 2.718 2.148 3.530 0.380 16 0 "[ . 1 . 2 ]" 1 984 1 49 GLN QB 1 50 ASP H . . 4.620 3.911 3.402 4.105 . 0 0 "[ . 1 . 2 ]" 1 985 1 49 GLN QB 1 52 VAL QG . . 5.010 4.120 2.833 4.822 . 0 0 "[ . 1 . 2 ]" 1 986 1 49 GLN QG 1 50 ASP H . . 5.230 4.170 2.910 4.955 . 0 0 "[ . 1 . 2 ]" 1 987 1 50 ASP H 1 50 ASP HB2 . . 3.680 2.844 2.275 3.483 . 0 0 "[ . 1 . 2 ]" 1 988 1 50 ASP H 1 50 ASP HB3 . . 3.680 2.742 2.325 3.178 . 0 0 "[ . 1 . 2 ]" 1 989 1 50 ASP H 1 52 VAL QG . . 5.500 3.450 1.850 4.782 . 0 0 "[ . 1 . 2 ]" 1 990 1 51 HIS HA 1 51 HIS HB2 . . 2.800 2.831 2.541 3.039 0.239 19 0 "[ . 1 . 2 ]" 1 991 1 51 HIS HA 1 51 HIS HB3 . . 3.000 2.767 2.304 3.020 0.020 7 0 "[ . 1 . 2 ]" 1 992 1 51 HIS HB3 1 52 VAL H . . 4.510 3.745 2.993 4.439 . 0 0 "[ . 1 . 2 ]" 1 993 1 52 VAL H 1 52 VAL HB . . 4.180 3.543 2.183 3.960 . 0 0 "[ . 1 . 2 ]" 1 994 1 52 VAL HA 1 52 VAL QG . . 2.880 2.150 2.098 2.306 . 0 0 "[ . 1 . 2 ]" 1 995 1 55 ALA H 1 55 ALA MB . . 3.330 2.439 2.166 3.125 . 0 0 "[ . 1 . 2 ]" 1 996 1 55 ALA H 1 56 VAL HB . . 5.500 4.438 3.646 5.250 . 0 0 "[ . 1 . 2 ]" 1 997 1 55 ALA H 1 56 VAL QG . . 5.500 4.339 3.746 5.037 . 0 0 "[ . 1 . 2 ]" 1 998 1 55 ALA H 1 57 PRO QD . . 5.500 3.354 2.128 4.386 . 0 0 "[ . 1 . 2 ]" 1 999 1 55 ALA HA 1 57 PRO QD . . 4.750 2.967 2.400 3.301 . 0 0 "[ . 1 . 2 ]" 1 1000 1 55 ALA HA 1 58 ASN HB2 . . 4.130 2.558 2.232 4.121 . 0 0 "[ . 1 . 2 ]" 1 1001 1 55 ALA MB 1 56 VAL H . . 4.940 3.151 2.908 3.584 . 0 0 "[ . 1 . 2 ]" 1 1002 1 55 ALA MB 1 56 VAL HA . . 4.030 4.170 3.816 4.582 0.552 5 1 "[ + 1 . 2 ]" 1 1003 1 55 ALA MB 1 56 VAL HB . . 5.130 5.014 4.814 5.263 0.133 5 0 "[ . 1 . 2 ]" 1 1004 1 55 ALA MB 1 56 VAL QG . . 4.630 4.182 3.948 4.546 . 0 0 "[ . 1 . 2 ]" 1 1005 1 55 ALA MB 1 57 PRO QD . . 4.530 3.969 3.622 4.099 . 0 0 "[ . 1 . 2 ]" 1 1006 1 55 ALA MB 1 58 ASN H . . 4.530 3.993 3.282 4.193 . 0 0 "[ . 1 . 2 ]" 1 1007 1 55 ALA MB 1 58 ASN HB2 . . 4.150 3.682 2.888 3.938 . 0 0 "[ . 1 . 2 ]" 1 1008 1 55 ALA MB 1 58 ASN HB3 . . 3.870 3.027 2.389 3.268 . 0 0 "[ . 1 . 2 ]" 1 1009 1 56 VAL H 1 56 VAL HB . . 3.630 2.247 2.161 2.427 . 0 0 "[ . 1 . 2 ]" 1 1010 1 56 VAL H 1 56 VAL QG . . 3.390 2.569 2.178 3.040 . 0 0 "[ . 1 . 2 ]" 1 1011 1 56 VAL H 1 57 PRO QD . . 3.790 2.503 2.273 2.840 . 0 0 "[ . 1 . 2 ]" 1 1012 1 56 VAL H 1 57 PRO HG2 . . 5.500 4.938 4.647 5.269 . 0 0 "[ . 1 . 2 ]" 1 1013 1 56 VAL H 1 57 PRO HG3 . . 5.450 5.010 4.753 5.461 0.011 5 0 "[ . 1 . 2 ]" 1 1014 1 56 VAL H 1 58 ASN H . . 5.500 4.105 3.860 4.470 . 0 0 "[ . 1 . 2 ]" 1 1015 1 56 VAL HA 1 56 VAL QG . . 3.030 2.173 2.082 2.226 . 0 0 "[ . 1 . 2 ]" 1 1016 1 56 VAL HA 1 59 PHE H . . 4.270 3.918 3.640 4.147 . 0 0 "[ . 1 . 2 ]" 1 1017 1 56 VAL HA 1 59 PHE QB . . 3.020 3.252 3.078 3.438 0.418 11 0 "[ . 1 . 2 ]" 1 1018 1 56 VAL HA 1 59 PHE QD . . 3.580 4.096 3.647 4.856 1.276 17 11 "[ *- .** 1** . +*** *]" 1 1019 1 56 VAL HA 1 60 VAL H . . 4.170 4.728 4.568 4.817 0.647 19 15 "[***-.** ** **.** +2**]" 1 1020 1 56 VAL HB 1 57 PRO QD . . 2.920 2.132 1.968 2.272 . 0 0 "[ . 1 . 2 ]" 1 1021 1 56 VAL QG 1 57 PRO QD . . 3.090 2.485 2.350 2.592 . 0 0 "[ . 1 . 2 ]" 1 1022 1 56 VAL QG 1 59 PHE H . . 5.500 4.679 4.383 4.812 . 0 0 "[ . 1 . 2 ]" 1 1023 1 56 VAL QG 1 59 PHE QD . . 3.590 3.934 3.535 4.117 0.527 11 2 "[ .- 1+ . 2 ]" 1 1024 1 56 VAL QG 1 60 VAL H . . 5.500 4.359 4.058 4.631 . 0 0 "[ . 1 . 2 ]" 1 1025 1 57 PRO HA 1 60 VAL H . . 4.450 3.263 3.129 3.466 . 0 0 "[ . 1 . 2 ]" 1 1026 1 57 PRO HA 1 60 VAL HB . . 4.520 4.528 4.522 4.536 0.016 13 0 "[ . 1 . 2 ]" 1 1027 1 57 PRO HA 1 60 VAL QG . . 3.500 1.895 1.857 1.950 . 0 0 "[ . 1 . 2 ]" 1 1028 1 57 PRO HA 1 80 ALA MB . . 4.030 3.564 3.334 3.879 . 0 0 "[ . 1 . 2 ]" 1 1029 1 57 PRO HB2 1 58 ASN H . . 3.920 3.463 3.016 3.758 . 0 0 "[ . 1 . 2 ]" 1 1030 1 57 PRO HB3 1 80 ALA H . . 4.510 4.609 4.578 4.626 0.116 18 0 "[ . 1 . 2 ]" 1 1031 1 57 PRO HB3 1 80 ALA MB . . 4.060 2.123 2.007 2.252 . 0 0 "[ . 1 . 2 ]" 1 1032 1 57 PRO QD 1 58 ASN H . . 4.620 2.254 1.925 2.663 . 0 0 "[ . 1 . 2 ]" 1 1033 1 57 PRO QD 1 59 PHE H . . 5.500 4.267 4.037 4.548 . 0 0 "[ . 1 . 2 ]" 1 1034 1 57 PRO QD 1 60 VAL QG . . 5.460 4.291 4.238 4.351 . 0 0 "[ . 1 . 2 ]" 1 1035 1 57 PRO HG2 1 58 ASN H . . 5.090 3.335 2.610 3.958 . 0 0 "[ . 1 . 2 ]" 1 1036 1 58 ASN H 1 58 ASN HB2 . . 3.170 2.451 2.192 2.652 . 0 0 "[ . 1 . 2 ]" 1 1037 1 58 ASN H 1 58 ASN HB3 . . 3.320 2.693 2.450 2.871 . 0 0 "[ . 1 . 2 ]" 1 1038 1 58 ASN H 1 59 PHE H . . 4.250 2.555 2.361 2.813 . 0 0 "[ . 1 . 2 ]" 1 1039 1 58 ASN HA 1 58 ASN HB3 . . 2.880 3.030 2.999 3.049 0.169 8 0 "[ . 1 . 2 ]" 1 1040 1 58 ASN HB3 1 59 PHE H . . 4.030 2.768 2.440 3.170 . 0 0 "[ . 1 . 2 ]" 1 1041 1 59 PHE H 1 59 PHE QB . . 3.090 2.133 2.067 2.180 . 0 0 "[ . 1 . 2 ]" 1 1042 1 59 PHE H 1 59 PHE QD . . 4.990 4.074 3.958 4.149 . 0 0 "[ . 1 . 2 ]" 1 1043 1 59 PHE H 1 60 VAL HB . . 5.330 6.505 6.283 6.717 1.387 2 22 [*+*-******************] 1 1044 1 59 PHE H 1 60 VAL QG . . 5.180 3.894 3.728 4.092 . 0 0 "[ . 1 . 2 ]" 1 1045 1 59 PHE HA 1 59 PHE QD . . 3.420 2.648 2.439 2.839 . 0 0 "[ . 1 . 2 ]" 1 1046 1 59 PHE HA 1 61 LYS H . . 5.500 4.440 3.873 4.859 . 0 0 "[ . 1 . 2 ]" 1 1047 1 59 PHE HA 1 62 GLU H . . 4.600 3.704 3.451 4.002 . 0 0 "[ . 1 . 2 ]" 1 1048 1 59 PHE HA 1 62 GLU HB3 . . 3.760 3.641 3.115 3.804 0.044 19 0 "[ . 1 . 2 ]" 1 1049 1 59 PHE HA 1 62 GLU HG2 . . 4.310 3.024 2.402 3.694 . 0 0 "[ . 1 . 2 ]" 1 1050 1 59 PHE HA 1 63 LYS H . . 5.440 5.288 4.751 5.553 0.113 3 0 "[ . 1 . 2 ]" 1 1051 1 59 PHE QB 1 60 VAL H . . 3.770 2.498 2.245 2.716 . 0 0 "[ . 1 . 2 ]" 1 1052 1 59 PHE QB 1 60 VAL QG . . 3.820 3.296 3.141 3.473 . 0 0 "[ . 1 . 2 ]" 1 1053 1 59 PHE QB 1 61 LYS H . . 5.500 4.729 4.531 4.993 . 0 0 "[ . 1 . 2 ]" 1 1054 1 59 PHE QD 1 60 VAL H . . 4.170 2.780 2.532 2.969 . 0 0 "[ . 1 . 2 ]" 1 1055 1 59 PHE QD 1 60 VAL QG . . 3.300 2.214 2.043 2.455 . 0 0 "[ . 1 . 2 ]" 1 1056 1 59 PHE QE 1 60 VAL QG . . 4.470 2.654 2.330 2.846 . 0 0 "[ . 1 . 2 ]" 1 1057 1 59 PHE QE 1 63 LYS QE . . 4.250 2.928 2.277 3.396 . 0 0 "[ . 1 . 2 ]" 1 1058 1 59 PHE QE 1 63 LYS QG . . 4.300 3.278 2.783 4.033 . 0 0 "[ . 1 . 2 ]" 1 1059 1 59 PHE HZ 1 63 LYS QD . . 3.590 3.609 3.374 3.662 0.072 13 0 "[ . 1 . 2 ]" 1 1060 1 59 PHE HZ 1 63 LYS QE . . 3.940 2.589 2.102 3.264 . 0 0 "[ . 1 . 2 ]" 1 1061 1 60 VAL H 1 60 VAL HB . . 3.470 3.616 3.574 3.659 0.189 8 0 "[ . 1 . 2 ]" 1 1062 1 60 VAL H 1 60 VAL QG . . 3.130 1.919 1.804 2.061 . 0 0 "[ . 1 . 2 ]" 1 1063 1 60 VAL H 1 61 LYS H . . 3.970 2.935 2.819 3.101 . 0 0 "[ . 1 . 2 ]" 1 1064 1 60 VAL H 1 62 GLU H . . 5.500 4.351 4.162 4.495 . 0 0 "[ . 1 . 2 ]" 1 1065 1 60 VAL HA 1 60 VAL QG . . 2.970 2.201 2.097 2.316 . 0 0 "[ . 1 . 2 ]" 1 1066 1 60 VAL HA 1 63 LYS H . . 3.420 3.028 2.868 3.208 . 0 0 "[ . 1 . 2 ]" 1 1067 1 60 VAL HA 1 63 LYS HB2 . . 3.510 2.784 2.424 3.060 . 0 0 "[ . 1 . 2 ]" 1 1068 1 60 VAL HA 1 63 LYS QG . . 4.910 2.216 1.952 4.050 . 0 0 "[ . 1 . 2 ]" 1 1069 1 60 VAL HB 1 61 LYS H . . 4.020 3.812 3.494 4.105 0.085 13 0 "[ . 1 . 2 ]" 1 1070 1 60 VAL QG 1 61 LYS H . . 4.570 2.554 2.213 3.037 . 0 0 "[ . 1 . 2 ]" 1 1071 1 60 VAL QG 1 61 LYS QB . . 4.670 3.788 3.374 4.164 . 0 0 "[ . 1 . 2 ]" 1 1072 1 60 VAL QG 1 62 GLU H . . 5.500 4.388 4.257 4.594 . 0 0 "[ . 1 . 2 ]" 1 1073 1 61 LYS H 1 61 LYS QB . . 3.630 2.283 2.195 2.429 . 0 0 "[ . 1 . 2 ]" 1 1074 1 61 LYS H 1 62 GLU H . . 3.720 2.730 2.202 3.018 . 0 0 "[ . 1 . 2 ]" 1 1075 1 61 LYS H 1 63 LYS H . . 4.850 4.001 3.455 4.237 . 0 0 "[ . 1 . 2 ]" 1 1076 1 61 LYS HA 1 61 LYS QD . . 3.560 3.951 2.640 4.239 0.679 10 10 "[* * . -*+ *** *2 *]" 1 1077 1 61 LYS HA 1 61 LYS QE . . 4.430 4.264 3.368 4.601 0.171 7 0 "[ . 1 . 2 ]" 1 1078 1 61 LYS HA 1 61 LYS QG . . 3.980 2.366 2.091 2.521 . 0 0 "[ . 1 . 2 ]" 1 1079 1 61 LYS HA 1 63 LYS H . . 3.610 3.704 3.293 3.750 0.140 14 0 "[ . 1 . 2 ]" 1 1080 1 61 LYS HA 1 86 VAL QG . . 5.020 4.282 4.002 4.563 . 0 0 "[ . 1 . 2 ]" 1 1081 1 61 LYS QB 1 62 GLU H . . 4.240 3.119 2.609 3.366 . 0 0 "[ . 1 . 2 ]" 1 1082 1 61 LYS QB 1 84 MET H . . 5.500 6.340 5.783 6.643 1.143 16 19 "[* ********* *-*+**** *]" 1 1083 1 61 LYS QE 1 61 LYS QG . . 3.360 2.297 2.024 2.552 . 0 0 "[ . 1 . 2 ]" 1 1084 1 61 LYS QE 1 84 MET QB . . 3.600 4.314 2.494 6.386 2.786 18 9 "[ *-** 1** .* + * ]" 1 1085 1 61 LYS QG 1 62 GLU H . . 4.990 4.551 4.265 4.850 . 0 0 "[ . 1 . 2 ]" 1 1086 1 61 LYS QG 1 84 MET H . . 5.500 4.716 4.317 5.113 . 0 0 "[ . 1 . 2 ]" 1 1087 1 61 LYS QG 1 85 GLY H . . 5.500 6.502 6.134 7.056 1.556 10 22 [*********+******-*****] 1 1088 1 61 LYS QG 1 86 VAL QG . . 4.920 4.056 3.220 4.374 . 0 0 "[ . 1 . 2 ]" 1 1089 1 62 GLU H 1 62 GLU HB3 . . 3.200 2.413 2.080 2.649 . 0 0 "[ . 1 . 2 ]" 1 1090 1 62 GLU H 1 62 GLU HG2 . . 3.590 3.296 2.789 3.714 0.124 14 0 "[ . 1 . 2 ]" 1 1091 1 62 GLU H 1 62 GLU HG3 . . 3.550 3.224 2.748 4.089 0.539 13 2 "[ . 1- + . 2 ]" 1 1092 1 62 GLU H 1 63 LYS H . . 3.670 2.432 2.169 2.724 . 0 0 "[ . 1 . 2 ]" 1 1093 1 62 GLU H 1 63 LYS HA . . 5.500 4.993 4.811 5.237 . 0 0 "[ . 1 . 2 ]" 1 1094 1 62 GLU H 1 64 GLY H . . 4.970 4.794 4.604 4.995 0.025 11 0 "[ . 1 . 2 ]" 1 1095 1 62 GLU HA 1 62 GLU HB2 . . 3.010 2.228 2.144 2.303 . 0 0 "[ . 1 . 2 ]" 1 1096 1 62 GLU HA 1 62 GLU HG3 . . 3.710 3.666 3.456 3.766 0.056 18 0 "[ . 1 . 2 ]" 1 1097 1 62 GLU HA 1 63 LYS H . . 3.630 3.475 3.391 3.685 0.055 14 0 "[ . 1 . 2 ]" 1 1098 1 62 GLU HA 1 64 GLY H . . 4.270 3.578 3.281 3.819 . 0 0 "[ . 1 . 2 ]" 1 1099 1 62 GLU HB2 1 63 LYS H . . 4.300 4.445 4.242 4.588 0.288 11 0 "[ . 1 . 2 ]" 1 1100 1 62 GLU HB2 1 63 LYS QG . . 5.200 5.023 4.730 5.387 0.187 17 0 "[ . 1 . 2 ]" 1 1101 1 62 GLU HB3 1 62 GLU HG3 . . 2.710 2.871 2.640 3.058 0.348 8 0 "[ . 1 . 2 ]" 1 1102 1 62 GLU HB3 1 63 LYS H . . 4.210 4.075 3.748 4.238 0.028 20 0 "[ . 1 . 2 ]" 1 1103 1 62 GLU HB3 1 64 GLY H . . 5.500 5.637 5.492 5.862 0.362 11 0 "[ . 1 . 2 ]" 1 1104 1 62 GLU HG2 1 63 LYS H . . 4.350 4.069 2.797 4.472 0.122 12 0 "[ . 1 . 2 ]" 1 1105 1 62 GLU HG3 1 63 LYS H . . 4.250 3.044 2.679 3.934 . 0 0 "[ . 1 . 2 ]" 1 1106 1 62 GLU HG3 1 63 LYS QD . . 4.110 2.553 2.156 2.998 . 0 0 "[ . 1 . 2 ]" 1 1107 1 63 LYS H 1 63 LYS HB2 . . 3.320 2.496 2.253 2.619 . 0 0 "[ . 1 . 2 ]" 1 1108 1 63 LYS H 1 63 LYS HB3 . . 3.630 3.623 3.491 3.662 0.032 18 0 "[ . 1 . 2 ]" 1 1109 1 63 LYS H 1 63 LYS QD . . 4.200 3.527 2.260 3.726 . 0 0 "[ . 1 . 2 ]" 1 1110 1 63 LYS H 1 63 LYS QG . . 3.640 2.320 2.147 3.103 . 0 0 "[ . 1 . 2 ]" 1 1111 1 63 LYS H 1 64 GLY H . . 3.390 3.109 3.046 3.127 . 0 0 "[ . 1 . 2 ]" 1 1112 1 63 LYS H 1 64 GLY HA3 . . 5.250 5.519 5.416 5.591 0.341 14 0 "[ . 1 . 2 ]" 1 1113 1 63 LYS HA 1 63 LYS QD . . 3.240 2.229 2.073 3.278 0.038 14 0 "[ . 1 . 2 ]" 1 1114 1 63 LYS HA 1 63 LYS QG . . 3.540 2.984 1.977 3.094 . 0 0 "[ . 1 . 2 ]" 1 1115 1 63 LYS HA 1 65 ALA H . . 5.500 4.712 4.328 4.990 . 0 0 "[ . 1 . 2 ]" 1 1116 1 63 LYS HB2 1 64 GLY H . . 4.630 4.160 4.102 4.242 . 0 0 "[ . 1 . 2 ]" 1 1117 1 63 LYS HB3 1 63 LYS QE . . 4.970 2.352 2.120 3.045 . 0 0 "[ . 1 . 2 ]" 1 1118 1 63 LYS HB3 1 64 GLY H . . 4.650 4.470 4.360 4.524 . 0 0 "[ . 1 . 2 ]" 1 1119 1 63 LYS QG 1 64 GLY H . . 5.500 4.663 4.472 4.723 . 0 0 "[ . 1 . 2 ]" 1 1120 1 64 GLY H 1 65 ALA MB . . 4.950 4.620 4.495 4.798 . 0 0 "[ . 1 . 2 ]" 1 1121 1 64 GLY HA3 1 65 ALA MB . . 5.140 4.834 4.615 5.062 . 0 0 "[ . 1 . 2 ]" 1 1122 1 65 ALA H 1 65 ALA MB . . 2.900 2.149 2.107 2.208 . 0 0 "[ . 1 . 2 ]" 1 1123 1 65 ALA H 1 66 GLU H . . 4.880 4.636 4.583 4.756 . 0 0 "[ . 1 . 2 ]" 1 1124 1 65 ALA H 1 86 VAL QG . . 5.500 3.998 3.649 4.682 . 0 0 "[ . 1 . 2 ]" 1 1125 1 65 ALA HA 1 66 GLU H . . 3.170 2.488 2.202 2.637 . 0 0 "[ . 1 . 2 ]" 1 1126 1 65 ALA HA 1 67 LEU H . . 4.420 4.140 3.668 4.519 0.099 10 0 "[ . 1 . 2 ]" 1 1127 1 65 ALA MB 1 66 GLU H . . 3.630 2.292 2.136 2.580 . 0 0 "[ . 1 . 2 ]" 1 1128 1 65 ALA MB 1 67 LEU H . . 3.780 3.283 3.020 3.658 . 0 0 "[ . 1 . 2 ]" 1 1129 1 65 ALA MB 1 86 VAL QG . . 3.770 2.447 2.141 3.308 . 0 0 "[ . 1 . 2 ]" 1 1130 1 66 GLU H 1 66 GLU QB . . 3.720 2.624 2.401 2.735 . 0 0 "[ . 1 . 2 ]" 1 1131 1 66 GLU H 1 66 GLU QG . . 4.070 3.678 3.431 3.874 . 0 0 "[ . 1 . 2 ]" 1 1132 1 66 GLU H 1 67 LEU H . . 3.140 1.812 1.666 2.103 . 0 0 "[ . 1 . 2 ]" 1 1133 1 66 GLU H 1 67 LEU HA . . 4.290 4.397 4.302 4.433 0.143 13 0 "[ . 1 . 2 ]" 1 1134 1 66 GLU H 1 86 VAL QG . . 5.500 3.155 2.956 3.596 . 0 0 "[ . 1 . 2 ]" 1 1135 1 66 GLU HA 1 66 GLU QG . . 3.170 2.208 2.116 2.306 . 0 0 "[ . 1 . 2 ]" 1 1136 1 66 GLU HA 1 86 VAL HA . . 4.210 3.087 2.825 3.421 . 0 0 "[ . 1 . 2 ]" 1 1137 1 66 GLU HA 1 86 VAL QG . . 3.300 2.034 1.892 2.353 . 0 0 "[ . 1 . 2 ]" 1 1138 1 66 GLU HA 1 87 LYS H . . 4.830 4.152 3.798 4.349 . 0 0 "[ . 1 . 2 ]" 1 1139 1 66 GLU QB 1 67 LEU H . . 4.270 2.909 2.569 3.164 . 0 0 "[ . 1 . 2 ]" 1 1140 1 66 GLU QB 1 67 LEU QB . . 3.450 3.337 2.961 3.662 0.212 16 0 "[ . 1 . 2 ]" 1 1141 1 66 GLU QB 1 87 LYS H . . 5.500 4.678 4.360 5.230 . 0 0 "[ . 1 . 2 ]" 1 1142 1 66 GLU QG 1 67 LEU H . . 4.780 4.534 4.396 4.637 . 0 0 "[ . 1 . 2 ]" 1 1143 1 66 GLU QG 1 87 LYS H . . 5.110 5.254 5.032 5.287 0.177 9 0 "[ . 1 . 2 ]" 1 1144 1 67 LEU H 1 67 LEU QB . . 3.630 2.531 2.440 2.670 . 0 0 "[ . 1 . 2 ]" 1 1145 1 67 LEU H 1 67 LEU QD . . 4.670 3.935 3.815 4.057 . 0 0 "[ . 1 . 2 ]" 1 1146 1 67 LEU H 1 68 VAL H . . 4.920 4.401 4.322 4.465 . 0 0 "[ . 1 . 2 ]" 1 1147 1 67 LEU H 1 68 VAL HA . . 5.500 4.901 4.750 5.090 . 0 0 "[ . 1 . 2 ]" 1 1148 1 67 LEU H 1 86 VAL QG . . 4.260 3.292 3.118 3.739 . 0 0 "[ . 1 . 2 ]" 1 1149 1 67 LEU H 1 87 LYS H . . 5.500 5.148 4.913 5.466 . 0 0 "[ . 1 . 2 ]" 1 1150 1 67 LEU HA 1 67 LEU QD . . 2.950 2.211 2.105 2.456 . 0 0 "[ . 1 . 2 ]" 1 1151 1 67 LEU HA 1 68 VAL H . . 2.930 2.339 2.289 2.423 . 0 0 "[ . 1 . 2 ]" 1 1152 1 67 LEU HA 1 86 VAL HA . . 4.610 4.358 4.031 4.573 . 0 0 "[ . 1 . 2 ]" 1 1153 1 67 LEU HA 1 86 VAL QG . . 3.300 2.977 2.739 3.250 . 0 0 "[ . 1 . 2 ]" 1 1154 1 67 LEU HA 1 87 LYS H . . 3.750 3.209 2.912 3.456 . 0 0 "[ . 1 . 2 ]" 1 1155 1 67 LEU HA 1 87 LYS QB . . 3.540 3.013 2.554 3.422 . 0 0 "[ . 1 . 2 ]" 1 1156 1 67 LEU QB 1 68 VAL H . . 4.440 3.455 3.087 3.593 . 0 0 "[ . 1 . 2 ]" 1 1157 1 67 LEU QB 1 103 TYR QE . . 4.130 4.295 4.042 4.350 0.220 1 0 "[ . 1 . 2 ]" 1 1158 1 67 LEU QD 1 68 VAL H . . 3.120 2.285 1.697 3.015 . 0 0 "[ . 1 . 2 ]" 1 1159 1 67 LEU QD 1 69 ILE HA . . 5.080 4.130 3.602 4.717 . 0 0 "[ . 1 . 2 ]" 1 1160 1 67 LEU QD 1 69 ILE MD . . 3.260 2.410 1.975 2.875 . 0 0 "[ . 1 . 2 ]" 1 1161 1 67 LEU QD 1 69 ILE HG12 . . 5.500 2.876 2.433 3.322 . 0 0 "[ . 1 . 2 ]" 1 1162 1 67 LEU QD 1 69 ILE MG . . 5.500 4.214 3.929 4.586 . 0 0 "[ . 1 . 2 ]" 1 1163 1 67 LEU QD 1 87 LYS H . . 4.370 3.673 3.318 4.098 . 0 0 "[ . 1 . 2 ]" 1 1164 1 67 LEU QD 1 87 LYS QD . . 3.560 2.889 1.981 3.671 0.111 9 0 "[ . 1 . 2 ]" 1 1165 1 67 LEU QD 1 87 LYS QE . . 4.290 3.032 2.003 3.852 . 0 0 "[ . 1 . 2 ]" 1 1166 1 67 LEU QD 1 87 LYS HG2 . . 4.550 2.681 2.001 3.953 . 0 0 "[ . 1 . 2 ]" 1 1167 1 67 LEU QD 1 87 LYS HG3 . . 4.410 3.716 2.668 4.375 . 0 0 "[ . 1 . 2 ]" 1 1168 1 67 LEU QD 1 88 VAL HA . . 4.140 3.625 2.939 4.186 0.046 14 0 "[ . 1 . 2 ]" 1 1169 1 67 LEU QD 1 89 ILE MD . . 2.910 1.991 1.830 2.176 . 0 0 "[ . 1 . 2 ]" 1 1170 1 67 LEU QD 1 89 ILE HG12 . . 4.220 3.828 3.453 4.098 . 0 0 "[ . 1 . 2 ]" 1 1171 1 67 LEU QD 1 89 ILE HG13 . . 4.510 2.714 2.201 3.272 . 0 0 "[ . 1 . 2 ]" 1 1172 1 67 LEU QD 1 103 TYR QD . . 3.990 3.072 2.883 3.335 . 0 0 "[ . 1 . 2 ]" 1 1173 1 67 LEU QD 1 103 TYR QE . . 3.460 2.585 2.239 2.960 . 0 0 "[ . 1 . 2 ]" 1 1174 1 67 LEU HG 1 68 VAL H . . 4.060 2.955 1.886 4.188 0.128 18 0 "[ . 1 . 2 ]" 1 1175 1 68 VAL H 1 68 VAL HB . . 3.380 2.951 2.841 3.046 . 0 0 "[ . 1 . 2 ]" 1 1176 1 68 VAL H 1 68 VAL QG . . 3.490 2.707 2.616 2.868 . 0 0 "[ . 1 . 2 ]" 1 1177 1 68 VAL H 1 69 ILE H . . 5.250 4.278 4.113 4.413 . 0 0 "[ . 1 . 2 ]" 1 1178 1 68 VAL H 1 87 LYS H . . 4.780 4.905 4.655 5.195 0.415 12 0 "[ . 1 . 2 ]" 1 1179 1 68 VAL H 1 87 LYS HA . . 5.500 5.409 5.130 5.577 0.077 14 0 "[ . 1 . 2 ]" 1 1180 1 68 VAL H 1 87 LYS QB . . 4.750 4.163 3.811 4.584 . 0 0 "[ . 1 . 2 ]" 1 1181 1 68 VAL H 1 87 LYS HG2 . . 5.500 4.750 4.272 5.506 0.006 17 0 "[ . 1 . 2 ]" 1 1182 1 68 VAL H 1 88 VAL HA . . 3.840 2.895 2.557 3.493 . 0 0 "[ . 1 . 2 ]" 1 1183 1 68 VAL H 1 89 ILE MD . . 5.500 4.519 3.756 5.043 . 0 0 "[ . 1 . 2 ]" 1 1184 1 68 VAL HA 1 68 VAL QG . . 3.280 2.196 2.103 2.290 . 0 0 "[ . 1 . 2 ]" 1 1185 1 68 VAL HA 1 69 ILE H . . 2.930 2.306 2.230 2.389 . 0 0 "[ . 1 . 2 ]" 1 1186 1 68 VAL HA 1 69 ILE HB . . 4.850 4.614 4.418 4.791 . 0 0 "[ . 1 . 2 ]" 1 1187 1 68 VAL HA 1 70 VAL MG1 . . 5.280 4.164 3.808 4.399 . 0 0 "[ . 1 . 2 ]" 1 1188 1 68 VAL HB 1 69 ILE H . . 4.250 3.897 3.668 4.340 0.090 4 0 "[ . 1 . 2 ]" 1 1189 1 68 VAL HB 1 88 VAL HA . . 4.220 2.511 2.175 3.156 . 0 0 "[ . 1 . 2 ]" 1 1190 1 68 VAL QG 1 69 ILE H . . 3.400 2.451 2.201 2.996 . 0 0 "[ . 1 . 2 ]" 1 1191 1 68 VAL QG 1 70 VAL H . . 4.180 4.211 3.967 4.258 0.078 20 0 "[ . 1 . 2 ]" 1 1192 1 68 VAL QG 1 70 VAL MG1 . . 2.920 1.979 1.922 2.087 . 0 0 "[ . 1 . 2 ]" 1 1193 1 68 VAL QG 1 81 PHE QB . . 4.940 3.301 3.068 3.813 . 0 0 "[ . 1 . 2 ]" 1 1194 1 68 VAL QG 1 88 VAL H . . 5.500 4.882 4.465 5.562 0.062 16 0 "[ . 1 . 2 ]" 1 1195 1 68 VAL QG 1 88 VAL HA . . 3.870 3.228 2.826 3.767 . 0 0 "[ . 1 . 2 ]" 1 1196 1 68 VAL QG 1 88 VAL QG . . 3.110 2.590 2.221 3.056 . 0 0 "[ . 1 . 2 ]" 1 1197 1 68 VAL QG 1 89 ILE H . . 5.500 4.211 4.003 4.662 . 0 0 "[ . 1 . 2 ]" 1 1198 1 69 ILE H 1 69 ILE HB . . 3.610 2.666 2.478 2.867 . 0 0 "[ . 1 . 2 ]" 1 1199 1 69 ILE H 1 69 ILE MD . . 4.440 4.045 3.112 4.379 . 0 0 "[ . 1 . 2 ]" 1 1200 1 69 ILE H 1 69 ILE HG12 . . 4.330 4.147 3.783 4.427 0.097 19 0 "[ . 1 . 2 ]" 1 1201 1 69 ILE H 1 69 ILE MG . . 4.170 3.849 3.773 3.965 . 0 0 "[ . 1 . 2 ]" 1 1202 1 69 ILE H 1 70 VAL H . . 4.480 4.094 4.018 4.302 . 0 0 "[ . 1 . 2 ]" 1 1203 1 69 ILE H 1 70 VAL MG1 . . 4.560 3.242 2.974 3.679 . 0 0 "[ . 1 . 2 ]" 1 1204 1 69 ILE H 1 70 VAL MG2 . . 5.360 4.776 4.063 5.171 . 0 0 "[ . 1 . 2 ]" 1 1205 1 69 ILE H 1 89 ILE HB . . 5.440 4.975 4.703 5.405 . 0 0 "[ . 1 . 2 ]" 1 1206 1 69 ILE HA 1 69 ILE MD . . 3.830 3.919 3.774 3.974 0.144 17 0 "[ . 1 . 2 ]" 1 1207 1 69 ILE HA 1 69 ILE HG12 . . 3.820 2.677 2.490 3.122 . 0 0 "[ . 1 . 2 ]" 1 1208 1 69 ILE HA 1 69 ILE HG13 . . 4.250 3.021 2.571 3.279 . 0 0 "[ . 1 . 2 ]" 1 1209 1 69 ILE HA 1 69 ILE MG . . 3.330 2.332 2.224 2.450 . 0 0 "[ . 1 . 2 ]" 1 1210 1 69 ILE HA 1 70 VAL H . . 3.140 2.171 2.101 2.338 . 0 0 "[ . 1 . 2 ]" 1 1211 1 69 ILE HA 1 89 ILE HB . . 3.280 2.620 2.315 3.094 . 0 0 "[ . 1 . 2 ]" 1 1212 1 69 ILE HB 1 69 ILE MD . . 3.330 2.340 2.107 2.579 . 0 0 "[ . 1 . 2 ]" 1 1213 1 69 ILE HB 1 70 VAL H . . 4.590 4.399 4.275 4.634 0.044 4 0 "[ . 1 . 2 ]" 1 1214 1 69 ILE MD 1 69 ILE MG . . 2.930 2.081 2.022 2.564 . 0 0 "[ . 1 . 2 ]" 1 1215 1 69 ILE MD 1 100 VAL H . . 5.500 4.395 4.052 4.666 . 0 0 "[ . 1 . 2 ]" 1 1216 1 69 ILE MD 1 100 VAL HA . . 3.910 2.907 2.444 3.243 . 0 0 "[ . 1 . 2 ]" 1 1217 1 69 ILE MD 1 100 VAL MG2 . . 3.650 3.139 2.505 3.803 0.153 18 0 "[ . 1 . 2 ]" 1 1218 1 69 ILE MD 1 103 TYR H . . 4.580 3.748 3.466 4.563 . 0 0 "[ . 1 . 2 ]" 1 1219 1 69 ILE MD 1 103 TYR HA . . 5.100 4.321 4.142 5.091 . 0 0 "[ . 1 . 2 ]" 1 1220 1 69 ILE MD 1 103 TYR HB2 . . 3.650 2.378 2.165 3.198 . 0 0 "[ . 1 . 2 ]" 1 1221 1 69 ILE MD 1 103 TYR HB3 . . 4.230 2.543 2.253 3.114 . 0 0 "[ . 1 . 2 ]" 1 1222 1 69 ILE MD 1 103 TYR QD . . 4.100 2.957 2.685 3.280 . 0 0 "[ . 1 . 2 ]" 1 1223 1 69 ILE MD 1 104 LEU H . . 5.120 4.724 4.430 5.284 0.164 19 0 "[ . 1 . 2 ]" 1 1224 1 69 ILE MD 1 108 LEU QD . . 3.290 2.489 2.131 3.431 0.141 19 0 "[ . 1 . 2 ]" 1 1225 1 69 ILE HG12 1 70 VAL H . . 4.750 4.705 4.531 4.893 0.143 19 0 "[ . 1 . 2 ]" 1 1226 1 69 ILE HG12 1 89 ILE MD . . 4.020 2.813 2.323 3.526 . 0 0 "[ . 1 . 2 ]" 1 1227 1 69 ILE HG13 1 89 ILE HB . . 4.830 3.447 2.462 4.108 . 0 0 "[ . 1 . 2 ]" 1 1228 1 69 ILE HG13 1 89 ILE MD . . 4.960 3.673 2.986 4.659 . 0 0 "[ . 1 . 2 ]" 1 1229 1 69 ILE MG 1 70 VAL H . . 3.560 3.018 2.876 3.459 . 0 0 "[ . 1 . 2 ]" 1 1230 1 69 ILE MG 1 89 ILE HB . . 4.050 3.326 2.881 3.690 . 0 0 "[ . 1 . 2 ]" 1 1231 1 69 ILE MG 1 92 ALA MB . . 3.130 2.012 1.866 2.472 . 0 0 "[ . 1 . 2 ]" 1 1232 1 69 ILE MG 1 99 VAL H . . 5.500 5.596 5.536 5.612 0.112 3 0 "[ . 1 . 2 ]" 1 1233 1 69 ILE MG 1 99 VAL HB . . 3.950 4.118 4.068 4.142 0.192 1 0 "[ . 1 . 2 ]" 1 1234 1 69 ILE MG 1 99 VAL MG1 . . 3.290 1.786 1.768 1.801 . 0 0 "[ . 1 . 2 ]" 1 1235 1 69 ILE MG 1 99 VAL MG2 . . 3.090 3.252 3.071 3.282 0.192 17 0 "[ . 1 . 2 ]" 1 1236 1 69 ILE MG 1 108 LEU QD . . 4.160 2.060 1.878 2.760 . 0 0 "[ . 1 . 2 ]" 1 1237 1 70 VAL H 1 70 VAL MG1 . . 3.670 2.884 2.691 3.345 . 0 0 "[ . 1 . 2 ]" 1 1238 1 70 VAL H 1 70 VAL MG2 . . 3.210 2.166 1.978 2.318 . 0 0 "[ . 1 . 2 ]" 1 1239 1 70 VAL H 1 71 ARG H . . 5.500 4.479 4.388 4.568 . 0 0 "[ . 1 . 2 ]" 1 1240 1 70 VAL H 1 89 ILE HA . . 5.500 5.081 4.932 5.216 . 0 0 "[ . 1 . 2 ]" 1 1241 1 70 VAL H 1 89 ILE HB . . 4.880 4.205 3.821 4.694 . 0 0 "[ . 1 . 2 ]" 1 1242 1 70 VAL H 1 90 LYS HA . . 4.080 2.757 2.417 3.003 . 0 0 "[ . 1 . 2 ]" 1 1243 1 70 VAL H 1 90 LYS HB2 . . 5.500 5.521 4.252 5.855 0.355 19 0 "[ . 1 . 2 ]" 1 1244 1 70 VAL H 1 92 ALA MB . . 5.500 3.804 3.316 4.403 . 0 0 "[ . 1 . 2 ]" 1 1245 1 70 VAL HA 1 70 VAL HB . . 2.750 2.451 2.377 2.611 . 0 0 "[ . 1 . 2 ]" 1 1246 1 70 VAL HA 1 70 VAL MG1 . . 3.050 2.393 2.191 2.502 . 0 0 "[ . 1 . 2 ]" 1 1247 1 70 VAL HA 1 70 VAL MG2 . . 3.560 3.258 3.223 3.287 . 0 0 "[ . 1 . 2 ]" 1 1248 1 70 VAL HA 1 91 GLY H . . 5.500 5.558 4.974 6.269 0.769 17 1 "[ . 1 . + 2 ]" 1 1249 1 70 VAL HA 1 92 ALA H . . 5.500 5.026 4.741 5.546 0.046 17 0 "[ . 1 . 2 ]" 1 1250 1 70 VAL HB 1 71 ARG H . . 3.480 2.435 2.149 3.148 . 0 0 "[ . 1 . 2 ]" 1 1251 1 70 VAL HB 1 72 GLY H . . 5.000 4.416 3.771 4.994 . 0 0 "[ . 1 . 2 ]" 1 1252 1 70 VAL HB 1 73 ILE HB . . 4.920 2.700 2.297 3.018 . 0 0 "[ . 1 . 2 ]" 1 1253 1 70 VAL MG1 1 71 ARG H . . 4.480 3.768 3.565 3.962 . 0 0 "[ . 1 . 2 ]" 1 1254 1 70 VAL MG1 1 73 ILE H . . 5.500 4.769 4.317 5.167 . 0 0 "[ . 1 . 2 ]" 1 1255 1 70 VAL MG1 1 73 ILE HB . . 4.460 3.140 2.796 3.465 . 0 0 "[ . 1 . 2 ]" 1 1256 1 70 VAL MG1 1 73 ILE MD . . 3.460 2.162 2.017 2.356 . 0 0 "[ . 1 . 2 ]" 1 1257 1 70 VAL MG2 1 71 ARG H . . 4.500 3.331 2.850 4.255 . 0 0 "[ . 1 . 2 ]" 1 1258 1 70 VAL MG2 1 71 ARG HB2 . . 5.280 5.250 4.850 6.139 0.859 16 1 "[ . 1 .+ 2 ]" 1 1259 1 70 VAL MG2 1 72 GLY H . . 5.500 4.530 3.426 5.175 . 0 0 "[ . 1 . 2 ]" 1 1260 1 70 VAL MG2 1 73 ILE H . . 5.500 3.504 2.441 4.821 . 0 0 "[ . 1 . 2 ]" 1 1261 1 70 VAL MG2 1 73 ILE HB . . 3.230 2.243 2.041 2.868 . 0 0 "[ . 1 . 2 ]" 1 1262 1 70 VAL MG2 1 73 ILE MD . . 4.100 2.223 2.010 2.440 . 0 0 "[ . 1 . 2 ]" 1 1263 1 70 VAL MG2 1 90 LYS HA . . 3.150 2.326 2.029 2.708 . 0 0 "[ . 1 . 2 ]" 1 1264 1 70 VAL MG2 1 90 LYS HB3 . . 4.020 3.279 1.955 3.811 . 0 0 "[ . 1 . 2 ]" 1 1265 1 70 VAL MG2 1 90 LYS QG . . 3.770 2.194 1.893 3.816 0.046 15 0 "[ . 1 . 2 ]" 1 1266 1 70 VAL MG2 1 91 GLY H . . 4.540 3.647 3.125 4.186 . 0 0 "[ . 1 . 2 ]" 1 1267 1 71 ARG H 1 71 ARG HB3 . . 4.120 2.961 2.423 3.812 . 0 0 "[ . 1 . 2 ]" 1 1268 1 71 ARG H 1 72 GLY H . . 4.180 2.964 2.275 3.357 . 0 0 "[ . 1 . 2 ]" 1 1269 1 71 ARG H 1 92 ALA H . . 5.210 4.878 4.299 5.276 0.066 17 0 "[ . 1 . 2 ]" 1 1270 1 71 ARG H 1 92 ALA MB . . 5.500 4.750 3.480 5.518 0.018 17 0 "[ . 1 . 2 ]" 1 1271 1 71 ARG HA 1 71 ARG QG . . 3.920 2.271 2.044 2.514 . 0 0 "[ . 1 . 2 ]" 1 1272 1 71 ARG HA 1 91 GLY H . . 3.790 2.551 2.135 3.347 . 0 0 "[ . 1 . 2 ]" 1 1273 1 71 ARG HA 1 91 GLY QA . . 4.090 3.193 2.701 3.766 . 0 0 "[ . 1 . 2 ]" 1 1274 1 71 ARG HA 1 92 ALA H . . 3.260 2.776 2.406 3.349 0.089 4 0 "[ . 1 . 2 ]" 1 1275 1 71 ARG HA 1 92 ALA MB . . 4.560 3.860 2.824 4.518 . 0 0 "[ . 1 . 2 ]" 1 1276 1 71 ARG HB2 1 71 ARG QD . . 3.910 2.309 2.095 2.762 . 0 0 "[ . 1 . 2 ]" 1 1277 1 71 ARG HB2 1 72 GLY H . . 3.590 3.153 1.834 3.794 0.204 18 0 "[ . 1 . 2 ]" 1 1278 1 71 ARG HB2 1 92 ALA H . . 5.500 4.736 3.968 5.572 0.072 13 0 "[ . 1 . 2 ]" 1 1279 1 71 ARG HB3 1 71 ARG QD . . 3.640 2.803 2.560 3.128 . 0 0 "[ . 1 . 2 ]" 1 1280 1 71 ARG HB3 1 72 GLY H . . 4.020 2.279 1.984 2.804 . 0 0 "[ . 1 . 2 ]" 1 1281 1 71 ARG HB3 1 92 ALA H . . 5.500 5.325 4.800 5.573 0.073 3 0 "[ . 1 . 2 ]" 1 1282 1 71 ARG QD 1 72 GLY H . . 5.500 4.447 3.951 4.892 . 0 0 "[ . 1 . 2 ]" 1 1283 1 71 ARG QD 1 92 ALA H . . 5.500 4.904 4.364 5.303 . 0 0 "[ . 1 . 2 ]" 1 1284 1 71 ARG QD 1 93 SER H . . 5.500 4.829 4.390 5.074 . 0 0 "[ . 1 . 2 ]" 1 1285 1 71 ARG QD 1 93 SER HA . . 4.120 2.703 2.375 2.949 . 0 0 "[ . 1 . 2 ]" 1 1286 1 71 ARG QD 1 93 SER QB . . 4.700 3.273 2.754 3.822 . 0 0 "[ . 1 . 2 ]" 1 1287 1 71 ARG QD 1 94 GLY H . . 5.000 4.289 3.900 4.717 . 0 0 "[ . 1 . 2 ]" 1 1288 1 71 ARG QG 1 72 GLY H . . 4.240 3.364 2.458 3.894 . 0 0 "[ . 1 . 2 ]" 1 1289 1 71 ARG QG 1 91 GLY H . . 5.220 4.039 3.658 4.850 . 0 0 "[ . 1 . 2 ]" 1 1290 1 71 ARG QG 1 91 GLY QA . . 5.070 3.564 2.687 4.638 . 0 0 "[ . 1 . 2 ]" 1 1291 1 71 ARG QG 1 93 SER QB . . 5.120 4.111 3.466 4.907 . 0 0 "[ . 1 . 2 ]" 1 1292 1 72 GLY H 1 91 GLY H . . 5.500 5.187 4.739 5.560 0.060 20 0 "[ . 1 . 2 ]" 1 1293 1 72 GLY HA2 1 73 ILE H . . 3.280 3.140 2.415 3.557 0.277 14 0 "[ . 1 . 2 ]" 1 1294 1 73 ILE H 1 73 ILE MD . . 5.500 4.378 4.186 4.720 . 0 0 "[ . 1 . 2 ]" 1 1295 1 73 ILE H 1 73 ILE HG12 . . 5.500 4.830 4.442 5.081 . 0 0 "[ . 1 . 2 ]" 1 1296 1 73 ILE H 1 73 ILE HG13 . . 5.500 4.372 4.136 4.620 . 0 0 "[ . 1 . 2 ]" 1 1297 1 73 ILE H 1 73 ILE MG . . 3.910 2.775 1.822 3.581 . 0 0 "[ . 1 . 2 ]" 1 1298 1 73 ILE H 1 74 GLY H . . 5.500 4.661 4.329 4.786 . 0 0 "[ . 1 . 2 ]" 1 1299 1 73 ILE HA 1 73 ILE HB . . 2.900 2.420 2.267 2.530 . 0 0 "[ . 1 . 2 ]" 1 1300 1 73 ILE HA 1 73 ILE MD . . 3.720 3.570 3.370 3.695 . 0 0 "[ . 1 . 2 ]" 1 1301 1 73 ILE HA 1 73 ILE MG . . 3.720 3.303 3.267 3.346 . 0 0 "[ . 1 . 2 ]" 1 1302 1 73 ILE HA 1 77 ALA MB . . 3.760 4.300 4.077 5.405 1.645 7 10 "[ ** .*+* 1 * * - * *]" 1 1303 1 73 ILE HB 1 73 ILE MD . . 3.290 2.267 2.191 2.321 . 0 0 "[ . 1 . 2 ]" 1 1304 1 73 ILE HB 1 74 GLY H . . 5.500 3.686 3.478 3.988 . 0 0 "[ . 1 . 2 ]" 1 1305 1 73 ILE MD 1 73 ILE MG . . 3.610 2.183 2.098 2.325 . 0 0 "[ . 1 . 2 ]" 1 1306 1 73 ILE MD 1 74 GLY H . . 5.010 3.520 3.400 3.792 . 0 0 "[ . 1 . 2 ]" 1 1307 1 73 ILE MD 1 77 ALA H . . 5.500 4.393 4.152 4.650 . 0 0 "[ . 1 . 2 ]" 1 1308 1 73 ILE MD 1 77 ALA MB . . 3.440 2.118 1.956 2.776 . 0 0 "[ . 1 . 2 ]" 1 1309 1 73 ILE MD 1 78 ILE H . . 4.350 3.724 3.412 4.210 . 0 0 "[ . 1 . 2 ]" 1 1310 1 73 ILE MD 1 78 ILE HA . . 3.770 3.711 3.331 3.966 0.196 21 0 "[ . 1 . 2 ]" 1 1311 1 73 ILE MD 1 78 ILE QG . . 4.900 3.828 3.390 4.288 . 0 0 "[ . 1 . 2 ]" 1 1312 1 73 ILE HG12 1 74 GLY H . . 5.070 1.882 1.654 2.369 . 0 0 "[ . 1 . 2 ]" 1 1313 1 73 ILE HG12 1 77 ALA H . . 5.500 3.945 3.673 4.319 . 0 0 "[ . 1 . 2 ]" 1 1314 1 73 ILE HG12 1 78 ILE H . . 4.580 3.416 3.053 4.175 . 0 0 "[ . 1 . 2 ]" 1 1315 1 73 ILE HG13 1 74 GLY H . . 4.640 2.356 1.939 2.946 . 0 0 "[ . 1 . 2 ]" 1 1316 1 73 ILE MG 1 74 GLY H . . 5.500 2.555 1.852 3.485 . 0 0 "[ . 1 . 2 ]" 1 1317 1 73 ILE MG 1 78 ILE H . . 5.170 4.468 4.074 5.077 . 0 0 "[ . 1 . 2 ]" 1 1318 1 73 ILE MG 1 78 ILE HA . . 3.750 4.823 4.773 4.843 1.093 7 22 [******+-**************] 1 1319 1 73 ILE MG 1 78 ILE QG . . 4.400 3.332 2.940 3.667 . 0 0 "[ . 1 . 2 ]" 1 1320 1 73 ILE MG 1 90 LYS HE3 . . 4.790 4.295 3.595 4.897 0.107 6 0 "[ . 1 . 2 ]" 1 1321 1 73 ILE MG 1 90 LYS QG . . 3.790 2.327 1.935 4.522 0.732 15 1 "[ . 1 + 2 ]" 1 1322 1 73 ILE MG 1 91 GLY H . . 5.500 4.807 4.138 5.423 . 0 0 "[ . 1 . 2 ]" 1 1323 1 74 GLY H 1 77 ALA H . . 5.500 3.940 3.630 4.758 . 0 0 "[ . 1 . 2 ]" 1 1324 1 74 GLY H 1 77 ALA MB . . 4.850 3.081 2.536 4.646 . 0 0 "[ . 1 . 2 ]" 1 1325 1 74 GLY H 1 78 ILE H . . 5.500 4.187 3.673 4.957 . 0 0 "[ . 1 . 2 ]" 1 1326 1 74 GLY QA 1 75 ARG H . . 3.610 2.263 2.144 2.413 . 0 0 "[ . 1 . 2 ]" 1 1327 1 74 GLY QA 1 77 ALA H . . 5.500 4.020 3.650 4.284 . 0 0 "[ . 1 . 2 ]" 1 1328 1 74 GLY QA 1 78 ILE H . . 4.600 4.807 4.569 5.176 0.576 7 2 "[ - . + 1 . 2 ]" 1 1329 1 75 ARG H 1 75 ARG QG . . 4.770 3.865 3.089 4.208 . 0 0 "[ . 1 . 2 ]" 1 1330 1 75 ARG H 1 77 ALA H . . 5.500 4.419 3.725 4.666 . 0 0 "[ . 1 . 2 ]" 1 1331 1 75 ARG HA 1 75 ARG QD . . 4.080 2.322 2.097 2.822 . 0 0 "[ . 1 . 2 ]" 1 1332 1 75 ARG HA 1 75 ARG QG . . 4.010 2.832 2.356 3.230 . 0 0 "[ . 1 . 2 ]" 1 1333 1 75 ARG HA 1 78 ILE H . . 4.170 3.119 2.924 3.354 . 0 0 "[ . 1 . 2 ]" 1 1334 1 75 ARG HA 1 78 ILE HB . . 2.750 2.451 2.092 2.879 0.129 7 0 "[ . 1 . 2 ]" 1 1335 1 75 ARG HA 1 78 ILE MD . . 3.480 3.550 2.431 4.433 0.953 16 6 "[ *- * 1 *.+ 2* ]" 1 1336 1 75 ARG HA 1 78 ILE QG . . 4.860 2.741 2.051 3.557 . 0 0 "[ . 1 . 2 ]" 1 1337 1 75 ARG HA 1 79 ALA H . . 4.410 4.075 3.808 4.504 0.094 7 0 "[ . 1 . 2 ]" 1 1338 1 75 ARG QD 1 76 ARG QG . . 4.330 6.110 4.938 7.028 2.698 17 22 [*****-**********+*****] 1 1339 1 75 ARG QD 1 78 ILE MD . . 4.440 4.380 3.851 4.615 0.175 12 0 "[ . 1 . 2 ]" 1 1340 1 75 ARG QD 1 79 ALA HA . . 4.600 4.541 4.096 4.764 0.164 18 0 "[ . 1 . 2 ]" 1 1341 1 75 ARG QD 1 79 ALA MB . . 4.640 3.398 2.814 3.864 . 0 0 "[ . 1 . 2 ]" 1 1342 1 76 ARG HA 1 76 ARG QD . . 4.010 3.704 2.220 4.166 0.156 21 0 "[ . 1 . 2 ]" 1 1343 1 76 ARG HA 1 76 ARG QG . . 3.770 2.949 2.210 3.352 . 0 0 "[ . 1 . 2 ]" 1 1344 1 76 ARG HA 1 79 ALA MB . . 3.050 2.838 2.565 3.173 0.123 15 0 "[ . 1 . 2 ]" 1 1345 1 76 ARG QB 1 77 ALA H . . 4.270 3.275 2.577 3.867 . 0 0 "[ . 1 . 2 ]" 1 1346 1 76 ARG QB 1 77 ALA HA . . 3.990 4.421 4.155 4.725 0.735 7 8 "[ -*. +* 1 * *. 2**]" 1 1347 1 77 ALA H 1 77 ALA MB . . 3.160 2.277 2.190 2.468 . 0 0 "[ . 1 . 2 ]" 1 1348 1 77 ALA H 1 78 ILE HA . . 5.500 4.994 4.623 5.209 . 0 0 "[ . 1 . 2 ]" 1 1349 1 77 ALA H 1 78 ILE MD . . 5.500 4.403 3.339 5.369 . 0 0 "[ . 1 . 2 ]" 1 1350 1 77 ALA H 1 79 ALA MB . . 5.500 4.585 4.057 4.931 . 0 0 "[ . 1 . 2 ]" 1 1351 1 77 ALA HA 1 80 ALA H . . 3.780 3.123 2.668 3.365 . 0 0 "[ . 1 . 2 ]" 1 1352 1 77 ALA HA 1 80 ALA MB . . 4.310 2.819 2.537 3.078 . 0 0 "[ . 1 . 2 ]" 1 1353 1 77 ALA MB 1 78 ILE H . . 4.020 2.834 2.613 3.399 . 0 0 "[ . 1 . 2 ]" 1 1354 1 77 ALA MB 1 78 ILE HA . . 4.620 4.128 3.964 4.356 . 0 0 "[ . 1 . 2 ]" 1 1355 1 78 ILE H 1 78 ILE HB . . 3.050 2.360 2.055 2.665 . 0 0 "[ . 1 . 2 ]" 1 1356 1 78 ILE H 1 78 ILE MD . . 3.930 2.778 1.879 3.729 . 0 0 "[ . 1 . 2 ]" 1 1357 1 78 ILE H 1 78 ILE QG . . 3.520 2.684 2.033 3.366 . 0 0 "[ . 1 . 2 ]" 1 1358 1 78 ILE H 1 78 ILE MG . . 4.630 3.720 3.578 3.831 . 0 0 "[ . 1 . 2 ]" 1 1359 1 78 ILE H 1 79 ALA MB . . 5.190 4.380 3.936 4.678 . 0 0 "[ . 1 . 2 ]" 1 1360 1 78 ILE H 1 88 VAL QG . . 4.780 4.475 3.961 4.807 0.027 6 0 "[ . 1 . 2 ]" 1 1361 1 78 ILE HA 1 78 ILE QG . . 3.390 2.761 2.307 3.072 . 0 0 "[ . 1 . 2 ]" 1 1362 1 78 ILE HA 1 78 ILE MG . . 3.040 2.577 2.284 2.857 . 0 0 "[ . 1 . 2 ]" 1 1363 1 78 ILE HA 1 80 ALA H . . 4.990 3.917 3.708 4.156 . 0 0 "[ . 1 . 2 ]" 1 1364 1 78 ILE HA 1 80 ALA MB . . 3.980 4.700 4.460 4.957 0.977 13 21 "[****-*** ***+*********]" 1 1365 1 78 ILE HA 1 81 PHE H . . 3.990 3.781 3.443 3.971 . 0 0 "[ . 1 . 2 ]" 1 1366 1 78 ILE HA 1 81 PHE QB . . 3.890 3.079 2.549 3.280 . 0 0 "[ . 1 . 2 ]" 1 1367 1 78 ILE HA 1 82 GLU H . . 4.550 4.155 3.959 4.389 . 0 0 "[ . 1 . 2 ]" 1 1368 1 78 ILE HA 1 88 VAL QG . . 3.230 2.643 2.216 2.940 . 0 0 "[ . 1 . 2 ]" 1 1369 1 78 ILE HB 1 78 ILE MD . . 3.330 2.955 2.425 3.297 . 0 0 "[ . 1 . 2 ]" 1 1370 1 78 ILE HB 1 79 ALA H . . 3.190 2.651 2.308 2.940 . 0 0 "[ . 1 . 2 ]" 1 1371 1 78 ILE MD 1 79 ALA H . . 4.710 4.562 4.112 4.847 0.137 16 0 "[ . 1 . 2 ]" 1 1372 1 78 ILE MD 1 90 LYS HE2 . . 4.270 3.846 2.952 4.444 0.174 12 0 "[ . 1 . 2 ]" 1 1373 1 78 ILE MD 1 90 LYS HE3 . . 4.420 4.022 2.979 4.581 0.161 19 0 "[ . 1 . 2 ]" 1 1374 1 78 ILE MD 1 113 TYR QB . . 5.060 5.425 3.769 6.704 1.644 11 11 "[* . * **+* *- *** ]" 1 1375 1 78 ILE QG 1 79 ALA H . . 5.500 4.218 3.733 4.625 . 0 0 "[ . 1 . 2 ]" 1 1376 1 78 ILE QG 1 113 TYR QD . . 4.780 3.999 3.438 4.320 . 0 0 "[ . 1 . 2 ]" 1 1377 1 78 ILE MG 1 79 ALA H . . 4.190 3.192 2.656 3.616 . 0 0 "[ . 1 . 2 ]" 1 1378 1 78 ILE MG 1 79 ALA HA . . 3.900 3.391 3.021 3.717 . 0 0 "[ . 1 . 2 ]" 1 1379 1 78 ILE MG 1 79 ALA MB . . 5.000 3.871 3.213 4.300 . 0 0 "[ . 1 . 2 ]" 1 1380 1 78 ILE MG 1 80 ALA H . . 5.500 4.706 4.540 4.970 . 0 0 "[ . 1 . 2 ]" 1 1381 1 78 ILE MG 1 82 GLU H . . 5.110 3.870 3.658 4.053 . 0 0 "[ . 1 . 2 ]" 1 1382 1 78 ILE MG 1 82 GLU HB2 . . 5.490 3.951 3.162 4.446 . 0 0 "[ . 1 . 2 ]" 1 1383 1 78 ILE MG 1 82 GLU HG3 . . 3.720 2.345 2.168 2.538 . 0 0 "[ . 1 . 2 ]" 1 1384 1 78 ILE MG 1 83 ALA H . . 5.500 6.200 5.884 6.474 0.974 6 20 "[*****+*-*** **.*******]" 1 1385 1 78 ILE MG 1 88 VAL H . . 5.500 5.729 5.015 6.709 1.209 10 7 "[* . + * ** -*2 ]" 1 1386 1 78 ILE MG 1 113 TYR QD . . 4.510 3.841 2.705 4.705 0.195 9 0 "[ . 1 . 2 ]" 1 1387 1 79 ALA H 1 79 ALA MB . . 2.610 2.195 2.123 2.257 . 0 0 "[ . 1 . 2 ]" 1 1388 1 79 ALA H 1 82 GLU H . . 5.500 4.797 4.729 4.890 . 0 0 "[ . 1 . 2 ]" 1 1389 1 79 ALA HA 1 81 PHE H . . 5.150 4.883 4.620 5.231 0.081 21 0 "[ . 1 . 2 ]" 1 1390 1 79 ALA HA 1 82 GLU H . . 3.680 3.398 3.117 3.737 0.057 21 0 "[ . 1 . 2 ]" 1 1391 1 79 ALA HA 1 82 GLU HB2 . . 3.240 2.170 2.068 2.351 . 0 0 "[ . 1 . 2 ]" 1 1392 1 79 ALA HA 1 82 GLU HB3 . . 3.550 3.623 3.244 3.682 0.132 16 0 "[ . 1 . 2 ]" 1 1393 1 79 ALA HA 1 82 GLU HG3 . . 4.330 2.917 2.242 4.120 . 0 0 "[ . 1 . 2 ]" 1 1394 1 79 ALA MB 1 80 ALA H . . 3.700 3.159 2.818 3.478 . 0 0 "[ . 1 . 2 ]" 1 1395 1 79 ALA MB 1 81 PHE H . . 5.500 5.131 4.988 5.322 . 0 0 "[ . 1 . 2 ]" 1 1396 1 79 ALA MB 1 82 GLU HG3 . . 5.500 4.397 3.699 5.414 . 0 0 "[ . 1 . 2 ]" 1 1397 1 80 ALA H 1 80 ALA MB . . 2.810 2.236 2.166 2.330 . 0 0 "[ . 1 . 2 ]" 1 1398 1 80 ALA H 1 81 PHE H . . 3.440 2.559 2.340 2.819 . 0 0 "[ . 1 . 2 ]" 1 1399 1 80 ALA H 1 81 PHE HA . . 5.500 5.086 4.891 5.314 . 0 0 "[ . 1 . 2 ]" 1 1400 1 80 ALA H 1 81 PHE QB . . 5.340 4.090 3.489 4.560 . 0 0 "[ . 1 . 2 ]" 1 1401 1 80 ALA H 1 82 GLU H . . 4.670 3.669 3.452 3.921 . 0 0 "[ . 1 . 2 ]" 1 1402 1 80 ALA HA 1 83 ALA MB . . 3.480 3.071 2.303 3.368 . 0 0 "[ . 1 . 2 ]" 1 1403 1 80 ALA MB 1 81 PHE H . . 3.200 2.218 2.021 2.627 . 0 0 "[ . 1 . 2 ]" 1 1404 1 80 ALA MB 1 82 GLU H . . 4.750 4.352 4.242 4.525 . 0 0 "[ . 1 . 2 ]" 1 1405 1 80 ALA MB 1 83 ALA H . . 5.500 4.407 4.133 4.530 . 0 0 "[ . 1 . 2 ]" 1 1406 1 80 ALA MB 1 84 MET H . . 5.500 5.549 5.338 5.615 0.115 11 0 "[ . 1 . 2 ]" 1 1407 1 81 PHE H 1 81 PHE QB . . 3.370 2.186 1.907 2.490 . 0 0 "[ . 1 . 2 ]" 1 1408 1 81 PHE H 1 82 GLU H . . 3.550 2.810 2.665 3.057 . 0 0 "[ . 1 . 2 ]" 1 1409 1 81 PHE H 1 82 GLU HB2 . . 5.500 4.799 4.230 5.199 . 0 0 "[ . 1 . 2 ]" 1 1410 1 81 PHE H 1 82 GLU HG3 . . 5.500 5.087 4.435 5.701 0.201 21 0 "[ . 1 . 2 ]" 1 1411 1 81 PHE H 1 86 VAL HB . . 4.430 4.555 4.538 4.569 0.139 21 0 "[ . 1 . 2 ]" 1 1412 1 81 PHE H 1 86 VAL QG . . 5.500 4.411 4.074 4.600 . 0 0 "[ . 1 . 2 ]" 1 1413 1 81 PHE H 1 88 VAL QG . . 5.020 4.125 3.742 4.570 . 0 0 "[ . 1 . 2 ]" 1 1414 1 81 PHE HA 1 83 ALA H . . 5.500 3.802 3.574 4.055 . 0 0 "[ . 1 . 2 ]" 1 1415 1 81 PHE HA 1 84 MET H . . 4.260 3.568 3.396 3.788 . 0 0 "[ . 1 . 2 ]" 1 1416 1 81 PHE HA 1 84 MET QB . . 3.960 4.620 4.144 5.080 1.120 16 16 "[* *-******** *+ *** ]" 1 1417 1 81 PHE HA 1 84 MET HG2 . . 4.050 3.275 2.451 4.173 0.123 19 0 "[ . 1 . 2 ]" 1 1418 1 81 PHE HA 1 84 MET HG3 . . 4.240 2.634 2.092 3.597 . 0 0 "[ . 1 . 2 ]" 1 1419 1 81 PHE HA 1 85 GLY H . . 5.360 4.776 4.266 5.160 . 0 0 "[ . 1 . 2 ]" 1 1420 1 81 PHE HA 1 86 VAL H . . 4.560 3.240 2.680 3.606 . 0 0 "[ . 1 . 2 ]" 1 1421 1 81 PHE HA 1 86 VAL HB . . 2.840 2.103 1.899 2.268 . 0 0 "[ . 1 . 2 ]" 1 1422 1 81 PHE HA 1 86 VAL QG . . 4.810 2.907 2.589 3.118 . 0 0 "[ . 1 . 2 ]" 1 1423 1 81 PHE QB 1 82 GLU H . . 3.830 2.577 2.403 2.754 . 0 0 "[ . 1 . 2 ]" 1 1424 1 81 PHE QB 1 83 ALA H . . 5.500 4.582 4.433 4.738 . 0 0 "[ . 1 . 2 ]" 1 1425 1 81 PHE QB 1 84 MET H . . 5.500 4.817 4.674 5.043 . 0 0 "[ . 1 . 2 ]" 1 1426 1 81 PHE QB 1 86 VAL H . . 4.470 3.502 3.064 3.975 . 0 0 "[ . 1 . 2 ]" 1 1427 1 81 PHE QB 1 86 VAL HB . . 3.520 2.578 2.141 3.652 0.132 9 0 "[ . 1 . 2 ]" 1 1428 1 81 PHE QB 1 86 VAL QG . . 3.870 2.379 2.115 2.949 . 0 0 "[ . 1 . 2 ]" 1 1429 1 81 PHE QB 1 88 VAL H . . 5.500 4.789 3.947 5.131 . 0 0 "[ . 1 . 2 ]" 1 1430 1 81 PHE QB 1 88 VAL QG . . 3.460 2.381 1.981 2.878 . 0 0 "[ . 1 . 2 ]" 1 1431 1 82 GLU H 1 82 GLU HB2 . . 3.310 2.362 2.109 2.514 . 0 0 "[ . 1 . 2 ]" 1 1432 1 82 GLU H 1 82 GLU HB3 . . 3.460 3.543 3.433 3.571 0.111 6 0 "[ . 1 . 2 ]" 1 1433 1 82 GLU H 1 82 GLU HG2 . . 3.690 3.041 2.399 3.673 . 0 0 "[ . 1 . 2 ]" 1 1434 1 82 GLU H 1 82 GLU HG3 . . 3.380 2.732 2.191 3.334 . 0 0 "[ . 1 . 2 ]" 1 1435 1 82 GLU H 1 83 ALA H . . 3.350 2.957 2.825 3.060 . 0 0 "[ . 1 . 2 ]" 1 1436 1 82 GLU H 1 83 ALA MB . . 5.500 4.611 4.445 4.734 . 0 0 "[ . 1 . 2 ]" 1 1437 1 82 GLU H 1 84 MET H . . 4.890 4.293 4.215 4.500 . 0 0 "[ . 1 . 2 ]" 1 1438 1 82 GLU H 1 85 GLY H . . 5.500 4.927 4.467 5.326 . 0 0 "[ . 1 . 2 ]" 1 1439 1 82 GLU H 1 86 VAL H . . 5.130 4.686 4.488 4.890 . 0 0 "[ . 1 . 2 ]" 1 1440 1 82 GLU H 1 86 VAL HB . . 5.470 4.983 4.740 5.338 . 0 0 "[ . 1 . 2 ]" 1 1441 1 82 GLU H 1 86 VAL QG . . 5.500 5.127 4.976 5.271 . 0 0 "[ . 1 . 2 ]" 1 1442 1 82 GLU H 1 88 VAL QG . . 5.180 4.298 3.945 4.573 . 0 0 "[ . 1 . 2 ]" 1 1443 1 82 GLU HA 1 82 GLU HB3 . . 3.040 2.593 2.518 2.713 . 0 0 "[ . 1 . 2 ]" 1 1444 1 82 GLU HA 1 82 GLU HG2 . . 3.220 2.423 2.175 2.699 . 0 0 "[ . 1 . 2 ]" 1 1445 1 82 GLU HA 1 82 GLU HG3 . . 3.820 3.402 2.972 3.768 . 0 0 "[ . 1 . 2 ]" 1 1446 1 82 GLU HA 1 83 ALA H . . 3.450 3.544 3.394 3.632 0.182 8 0 "[ . 1 . 2 ]" 1 1447 1 82 GLU HA 1 84 MET H . . 4.100 3.717 3.490 4.099 . 0 0 "[ . 1 . 2 ]" 1 1448 1 82 GLU HA 1 85 GLY H . . 3.440 3.067 2.722 3.550 0.110 17 0 "[ . 1 . 2 ]" 1 1449 1 82 GLU HA 1 86 VAL H . . 3.920 3.850 3.345 4.063 0.143 16 0 "[ . 1 . 2 ]" 1 1450 1 82 GLU HB2 1 83 ALA H . . 3.520 3.290 2.955 3.563 0.043 2 0 "[ . 1 . 2 ]" 1 1451 1 82 GLU HB3 1 83 ALA H . . 3.570 3.972 3.493 4.269 0.699 19 9 "[** *.* -* *. *+2 ]" 1 1452 1 82 GLU HB3 1 83 ALA HA . . 4.420 4.393 4.036 4.558 0.138 19 0 "[ . 1 . 2 ]" 1 1453 1 82 GLU HB3 1 85 GLY H . . 5.500 5.024 4.531 5.328 . 0 0 "[ . 1 . 2 ]" 1 1454 1 82 GLU HG2 1 88 VAL QG . . 4.400 4.488 4.059 4.601 0.201 19 0 "[ . 1 . 2 ]" 1 1455 1 82 GLU HG3 1 83 ALA H . . 5.040 5.050 4.827 5.182 0.142 21 0 "[ . 1 . 2 ]" 1 1456 1 82 GLU HG3 1 88 VAL QG . . 5.200 4.557 3.632 5.382 0.182 13 0 "[ . 1 . 2 ]" 1 1457 1 83 ALA H 1 83 ALA MB . . 2.610 2.259 2.189 2.367 . 0 0 "[ . 1 . 2 ]" 1 1458 1 83 ALA H 1 84 MET H . . 3.370 2.398 2.137 2.618 . 0 0 "[ . 1 . 2 ]" 1 1459 1 83 ALA H 1 84 MET HA . . 5.500 5.121 4.860 5.290 . 0 0 "[ . 1 . 2 ]" 1 1460 1 83 ALA H 1 84 MET HG2 . . 4.870 3.516 3.103 4.047 . 0 0 "[ . 1 . 2 ]" 1 1461 1 83 ALA H 1 84 MET HG3 . . 5.500 4.208 3.721 5.250 . 0 0 "[ . 1 . 2 ]" 1 1462 1 83 ALA H 1 86 VAL HB . . 5.500 5.212 4.835 5.548 0.048 3 0 "[ . 1 . 2 ]" 1 1463 1 83 ALA HA 1 85 GLY H . . 4.310 4.284 3.996 4.428 0.118 10 0 "[ . 1 . 2 ]" 1 1464 1 83 ALA MB 1 84 MET H . . 3.270 3.000 2.554 3.199 . 0 0 "[ . 1 . 2 ]" 1 1465 1 83 ALA MB 1 84 MET HA . . 4.990 4.164 3.924 4.315 . 0 0 "[ . 1 . 2 ]" 1 1466 1 83 ALA MB 1 84 MET QB . . 4.040 3.801 3.371 4.177 0.137 20 0 "[ . 1 . 2 ]" 1 1467 1 83 ALA MB 1 84 MET HG2 . . 4.720 2.844 2.349 3.198 . 0 0 "[ . 1 . 2 ]" 1 1468 1 83 ALA MB 1 84 MET HG3 . . 4.560 4.195 3.805 4.573 0.013 17 0 "[ . 1 . 2 ]" 1 1469 1 83 ALA MB 1 85 GLY H . . 5.230 4.607 4.375 4.753 . 0 0 "[ . 1 . 2 ]" 1 1470 1 83 ALA MB 1 86 VAL H . . 5.500 5.555 5.391 5.606 0.106 15 0 "[ . 1 . 2 ]" 1 1471 1 83 ALA MB 1 86 VAL QG . . 5.350 5.133 4.821 5.366 0.016 17 0 "[ . 1 . 2 ]" 1 1472 1 84 MET H 1 84 MET QB . . 3.330 3.180 3.045 3.329 . 0 0 "[ . 1 . 2 ]" 1 1473 1 84 MET H 1 84 MET HG2 . . 3.690 2.373 1.969 2.769 . 0 0 "[ . 1 . 2 ]" 1 1474 1 84 MET H 1 84 MET HG3 . . 3.700 2.579 2.349 3.562 . 0 0 "[ . 1 . 2 ]" 1 1475 1 84 MET H 1 85 GLY H . . 3.020 2.184 1.997 2.466 . 0 0 "[ . 1 . 2 ]" 1 1476 1 84 MET H 1 85 GLY HA3 . . 4.710 4.833 4.712 5.145 0.435 12 0 "[ . 1 . 2 ]" 1 1477 1 84 MET H 1 86 VAL H . . 4.410 3.133 3.018 3.481 . 0 0 "[ . 1 . 2 ]" 1 1478 1 84 MET H 1 86 VAL HB . . 4.510 4.056 3.778 4.268 . 0 0 "[ . 1 . 2 ]" 1 1479 1 84 MET H 1 86 VAL QG . . 5.430 3.937 3.664 4.137 . 0 0 "[ . 1 . 2 ]" 1 1480 1 84 MET HA 1 84 MET QB . . 2.790 2.126 2.089 2.156 . 0 0 "[ . 1 . 2 ]" 1 1481 1 84 MET HA 1 84 MET HG2 . . 3.560 3.633 3.556 3.668 0.108 5 0 "[ . 1 . 2 ]" 1 1482 1 84 MET HA 1 84 MET HG3 . . 3.660 3.826 3.713 4.225 0.565 13 1 "[ . 1 + . 2 ]" 1 1483 1 84 MET HA 1 85 GLY HA3 . . 4.500 4.530 4.400 4.616 0.116 8 0 "[ . 1 . 2 ]" 1 1484 1 84 MET QB 1 85 GLY H . . 4.170 3.966 3.622 4.049 . 0 0 "[ . 1 . 2 ]" 1 1485 1 84 MET QB 1 86 VAL H . . 4.170 3.875 3.648 4.087 . 0 0 "[ . 1 . 2 ]" 1 1486 1 84 MET QB 1 86 VAL HB . . 3.950 4.046 3.612 4.105 0.155 20 0 "[ . 1 . 2 ]" 1 1487 1 84 MET QB 1 86 VAL QG . . 3.980 2.294 2.043 2.522 . 0 0 "[ . 1 . 2 ]" 1 1488 1 84 MET HG2 1 86 VAL HB . . 3.910 3.842 3.311 4.040 0.130 4 0 "[ . 1 . 2 ]" 1 1489 1 84 MET HG2 1 86 VAL QG . . 4.950 3.433 2.745 3.620 . 0 0 "[ . 1 . 2 ]" 1 1490 1 84 MET HG3 1 85 GLY H . . 4.890 3.841 3.337 4.973 0.083 13 0 "[ . 1 . 2 ]" 1 1491 1 84 MET HG3 1 86 VAL H . . 5.500 2.830 2.477 4.253 . 0 0 "[ . 1 . 2 ]" 1 1492 1 84 MET HG3 1 86 VAL HB . . 3.280 2.354 2.077 3.435 0.155 13 0 "[ . 1 . 2 ]" 1 1493 1 84 MET HG3 1 86 VAL QG . . 4.790 2.198 2.038 2.585 . 0 0 "[ . 1 . 2 ]" 1 1494 1 85 GLY H 1 86 VAL H . . 3.340 2.645 2.128 2.857 . 0 0 "[ . 1 . 2 ]" 1 1495 1 85 GLY H 1 86 VAL HB . . 4.790 4.595 4.031 4.814 0.024 14 0 "[ . 1 . 2 ]" 1 1496 1 85 GLY H 1 86 VAL QG . . 5.210 4.181 3.705 4.388 . 0 0 "[ . 1 . 2 ]" 1 1497 1 85 GLY HA2 1 86 VAL H . . 3.600 2.954 2.791 3.134 . 0 0 "[ . 1 . 2 ]" 1 1498 1 85 GLY HA2 1 87 LYS H . . 5.500 5.526 5.233 5.579 0.079 18 0 "[ . 1 . 2 ]" 1 1499 1 86 VAL H 1 86 VAL HB . . 3.210 2.261 2.187 2.350 . 0 0 "[ . 1 . 2 ]" 1 1500 1 86 VAL H 1 86 VAL QG . . 3.460 2.647 2.465 2.871 . 0 0 "[ . 1 . 2 ]" 1 1501 1 86 VAL H 1 87 LYS H . . 4.850 4.436 4.315 4.497 . 0 0 "[ . 1 . 2 ]" 1 1502 1 86 VAL H 1 87 LYS HA . . 5.330 5.164 4.757 5.424 0.094 21 0 "[ . 1 . 2 ]" 1 1503 1 86 VAL HA 1 86 VAL QG . . 2.700 2.061 2.010 2.106 . 0 0 "[ . 1 . 2 ]" 1 1504 1 86 VAL HA 1 87 LYS H . . 2.850 2.139 2.061 2.209 . 0 0 "[ . 1 . 2 ]" 1 1505 1 86 VAL HA 1 87 LYS QB . . 3.980 4.042 3.921 4.119 0.139 18 0 "[ . 1 . 2 ]" 1 1506 1 86 VAL QG 1 87 LYS H . . 3.440 3.030 2.800 3.288 . 0 0 "[ . 1 . 2 ]" 1 1507 1 86 VAL QG 1 87 LYS HA . . 4.560 4.290 4.098 4.523 . 0 0 "[ . 1 . 2 ]" 1 1508 1 87 LYS H 1 87 LYS QB . . 3.150 2.223 2.085 2.319 . 0 0 "[ . 1 . 2 ]" 1 1509 1 87 LYS H 1 87 LYS HG2 . . 4.420 4.439 4.287 4.506 0.086 10 0 "[ . 1 . 2 ]" 1 1510 1 87 LYS H 1 87 LYS HG3 . . 4.310 4.424 4.202 4.453 0.143 11 0 "[ . 1 . 2 ]" 1 1511 1 87 LYS H 1 88 VAL H . . 4.820 4.669 4.582 4.729 . 0 0 "[ . 1 . 2 ]" 1 1512 1 87 LYS HA 1 87 LYS QD . . 3.890 3.803 2.812 4.049 0.159 7 0 "[ . 1 . 2 ]" 1 1513 1 87 LYS HA 1 87 LYS HG2 . . 3.870 3.134 2.448 3.805 . 0 0 "[ . 1 . 2 ]" 1 1514 1 87 LYS HA 1 87 LYS HG3 . . 4.030 2.553 2.312 2.855 . 0 0 "[ . 1 . 2 ]" 1 1515 1 87 LYS HA 1 88 VAL H . . 2.810 2.271 2.167 2.349 . 0 0 "[ . 1 . 2 ]" 1 1516 1 87 LYS HA 1 88 VAL QG . . 3.810 3.285 3.089 3.582 . 0 0 "[ . 1 . 2 ]" 1 1517 1 87 LYS QB 1 88 VAL H . . 3.720 3.639 3.540 3.762 0.042 6 0 "[ . 1 . 2 ]" 1 1518 1 87 LYS QD 1 87 LYS HG2 . . 2.610 2.260 2.068 2.513 . 0 0 "[ . 1 . 2 ]" 1 1519 1 87 LYS QD 1 88 VAL H . . 4.160 4.027 3.513 4.310 0.150 2 0 "[ . 1 . 2 ]" 1 1520 1 87 LYS QD 1 89 ILE H . . 5.500 5.151 4.330 5.875 0.375 18 0 "[ . 1 . 2 ]" 1 1521 1 87 LYS QD 1 89 ILE MD . . 3.760 3.274 2.329 3.929 0.169 18 0 "[ . 1 . 2 ]" 1 1522 1 87 LYS QE 1 87 LYS HG2 . . 3.810 2.802 2.090 3.496 . 0 0 "[ . 1 . 2 ]" 1 1523 1 87 LYS QE 1 89 ILE MD . . 4.290 3.468 2.005 4.206 . 0 0 "[ . 1 . 2 ]" 1 1524 1 87 LYS HG2 1 88 VAL H . . 4.090 2.880 2.138 4.179 0.089 1 0 "[ . 1 . 2 ]" 1 1525 1 87 LYS HG3 1 88 VAL H . . 4.510 2.769 2.156 3.676 . 0 0 "[ . 1 . 2 ]" 1 1526 1 88 VAL H 1 88 VAL HB . . 3.210 3.006 2.655 3.308 0.098 12 0 "[ . 1 . 2 ]" 1 1527 1 88 VAL H 1 88 VAL QG . . 3.250 2.428 2.019 2.848 . 0 0 "[ . 1 . 2 ]" 1 1528 1 88 VAL H 1 89 ILE H . . 4.690 4.022 3.738 4.271 . 0 0 "[ . 1 . 2 ]" 1 1529 1 88 VAL H 1 89 ILE MD . . 5.500 5.534 5.264 5.601 0.101 8 0 "[ . 1 . 2 ]" 1 1530 1 88 VAL HA 1 88 VAL QG . . 2.680 2.249 2.089 2.449 . 0 0 "[ . 1 . 2 ]" 1 1531 1 88 VAL HA 1 89 ILE H . . 2.750 2.149 2.047 2.268 . 0 0 "[ . 1 . 2 ]" 1 1532 1 88 VAL HA 1 89 ILE HA . . 4.620 4.486 4.426 4.533 . 0 0 "[ . 1 . 2 ]" 1 1533 1 88 VAL HA 1 89 ILE HG13 . . 4.600 4.300 4.001 4.557 . 0 0 "[ . 1 . 2 ]" 1 1534 1 88 VAL HB 1 89 ILE H . . 4.470 4.340 4.022 4.492 0.022 13 0 "[ . 1 . 2 ]" 1 1535 1 88 VAL QG 1 89 ILE H . . 3.310 3.155 2.620 3.447 0.137 12 0 "[ . 1 . 2 ]" 1 1536 1 88 VAL QG 1 89 ILE HA . . 4.010 4.090 3.777 4.221 0.211 16 0 "[ . 1 . 2 ]" 1 1537 1 88 VAL QG 1 90 LYS H . . 5.010 4.489 3.517 5.002 . 0 0 "[ . 1 . 2 ]" 1 1538 1 88 VAL QG 1 90 LYS HB2 . . 4.720 4.613 4.040 5.205 0.485 17 0 "[ . 1 . 2 ]" 1 1539 1 88 VAL QG 1 90 LYS HE2 . . 4.840 3.544 2.044 4.778 . 0 0 "[ . 1 . 2 ]" 1 1540 1 88 VAL QG 1 90 LYS QG . . 3.240 2.578 2.005 3.415 0.175 15 0 "[ . 1 . 2 ]" 1 1541 1 89 ILE H 1 89 ILE HB . . 3.460 2.221 2.109 2.353 . 0 0 "[ . 1 . 2 ]" 1 1542 1 89 ILE H 1 89 ILE MD . . 4.770 3.658 3.168 4.182 . 0 0 "[ . 1 . 2 ]" 1 1543 1 89 ILE H 1 89 ILE HG12 . . 4.220 3.999 3.667 4.224 0.004 7 0 "[ . 1 . 2 ]" 1 1544 1 89 ILE H 1 89 ILE HG13 . . 4.500 2.819 2.470 3.260 . 0 0 "[ . 1 . 2 ]" 1 1545 1 89 ILE H 1 89 ILE MG . . 4.600 3.646 3.597 3.736 . 0 0 "[ . 1 . 2 ]" 1 1546 1 89 ILE HA 1 89 ILE MD . . 3.670 3.781 3.705 3.904 0.234 17 0 "[ . 1 . 2 ]" 1 1547 1 89 ILE HA 1 89 ILE HG12 . . 4.010 2.478 2.279 2.854 . 0 0 "[ . 1 . 2 ]" 1 1548 1 89 ILE HA 1 89 ILE HG13 . . 3.290 2.680 2.507 3.011 . 0 0 "[ . 1 . 2 ]" 1 1549 1 89 ILE HA 1 89 ILE MG . . 3.180 2.646 2.478 2.793 . 0 0 "[ . 1 . 2 ]" 1 1550 1 89 ILE HA 1 90 LYS H . . 2.980 2.253 2.086 2.389 . 0 0 "[ . 1 . 2 ]" 1 1551 1 89 ILE HA 1 90 LYS QD . . 4.930 4.181 2.625 5.489 0.559 18 2 "[ . 1 . +-2 ]" 1 1552 1 89 ILE HA 1 110 ASP H . . 5.500 4.434 3.776 5.372 . 0 0 "[ . 1 . 2 ]" 1 1553 1 89 ILE HA 1 111 SER H . . 5.480 4.818 4.048 5.565 0.085 20 0 "[ . 1 . 2 ]" 1 1554 1 89 ILE HB 1 110 ASP QB . . 5.470 4.565 4.128 5.018 . 0 0 "[ . 1 . 2 ]" 1 1555 1 89 ILE MD 1 103 TYR QD . . 3.780 2.248 2.043 2.763 . 0 0 "[ . 1 . 2 ]" 1 1556 1 89 ILE MD 1 103 TYR QE . . 3.680 2.409 2.137 2.730 . 0 0 "[ . 1 . 2 ]" 1 1557 1 89 ILE MD 1 109 LYS HA . . 4.680 3.580 2.412 4.820 0.140 4 0 "[ . 1 . 2 ]" 1 1558 1 89 ILE MD 1 110 ASP QB . . 4.670 3.579 2.706 4.734 0.064 20 0 "[ . 1 . 2 ]" 1 1559 1 89 ILE MG 1 90 LYS H . . 3.820 2.733 2.228 3.703 . 0 0 "[ . 1 . 2 ]" 1 1560 1 89 ILE MG 1 90 LYS HA . . 4.970 3.777 3.450 4.465 . 0 0 "[ . 1 . 2 ]" 1 1561 1 89 ILE MG 1 90 LYS HB3 . . 5.500 5.333 4.840 5.902 0.402 16 0 "[ . 1 . 2 ]" 1 1562 1 89 ILE MG 1 91 GLY H . . 5.500 4.978 4.558 5.434 . 0 0 "[ . 1 . 2 ]" 1 1563 1 89 ILE MG 1 92 ALA H . . 5.290 4.213 3.833 4.729 . 0 0 "[ . 1 . 2 ]" 1 1564 1 89 ILE MG 1 108 LEU HG . . 3.870 2.807 2.041 4.041 0.171 18 0 "[ . 1 . 2 ]" 1 1565 1 89 ILE MG 1 109 LYS H . . 4.270 2.754 2.353 3.225 . 0 0 "[ . 1 . 2 ]" 1 1566 1 89 ILE MG 1 109 LYS HA . . 4.750 3.633 2.783 4.604 . 0 0 "[ . 1 . 2 ]" 1 1567 1 89 ILE MG 1 110 ASP H . . 4.820 4.348 3.729 4.931 0.111 2 0 "[ . 1 . 2 ]" 1 1568 1 89 ILE MG 1 110 ASP HA . . 3.650 3.584 2.951 3.808 0.158 15 0 "[ . 1 . 2 ]" 1 1569 1 89 ILE MG 1 111 SER H . . 5.210 4.876 4.027 5.331 0.121 16 0 "[ . 1 . 2 ]" 1 1570 1 90 LYS H 1 90 LYS HB2 . . 4.080 2.649 2.138 3.896 . 0 0 "[ . 1 . 2 ]" 1 1571 1 90 LYS H 1 90 LYS HB3 . . 4.100 3.668 3.322 3.903 . 0 0 "[ . 1 . 2 ]" 1 1572 1 90 LYS H 1 90 LYS QD . . 4.380 3.558 2.387 4.279 . 0 0 "[ . 1 . 2 ]" 1 1573 1 90 LYS H 1 90 LYS QG . . 3.600 3.272 2.235 3.731 0.131 20 0 "[ . 1 . 2 ]" 1 1574 1 90 LYS H 1 111 SER H . . 5.100 4.466 3.398 5.227 0.127 20 0 "[ . 1 . 2 ]" 1 1575 1 90 LYS HA 1 90 LYS QG . . 3.540 2.492 2.232 3.357 . 0 0 "[ . 1 . 2 ]" 1 1576 1 90 LYS HA 1 91 GLY H . . 3.430 2.425 2.009 2.721 . 0 0 "[ . 1 . 2 ]" 1 1577 1 90 LYS HA 1 92 ALA H . . 4.270 3.472 3.089 3.916 . 0 0 "[ . 1 . 2 ]" 1 1578 1 90 LYS HB2 1 90 LYS HE2 . . 4.460 3.149 1.953 4.597 0.137 13 0 "[ . 1 . 2 ]" 1 1579 1 90 LYS HB2 1 90 LYS HE3 . . 3.910 2.983 2.021 4.126 0.216 8 0 "[ . 1 . 2 ]" 1 1580 1 90 LYS HB2 1 90 LYS QG . . 2.500 2.524 2.308 2.586 0.086 6 0 "[ . 1 . 2 ]" 1 1581 1 90 LYS HB2 1 91 GLY H . . 3.980 3.555 2.284 4.159 0.179 18 0 "[ . 1 . 2 ]" 1 1582 1 90 LYS HB2 1 91 GLY QA . . 4.710 4.193 3.677 4.609 . 0 0 "[ . 1 . 2 ]" 1 1583 1 90 LYS HB2 1 92 ALA H . . 5.500 5.514 4.683 6.087 0.587 20 1 "[ . 1 . + ]" 1 1584 1 90 LYS HB3 1 90 LYS HE2 . . 4.920 4.077 2.494 5.129 0.209 3 0 "[ . 1 . 2 ]" 1 1585 1 90 LYS HB3 1 91 GLY H . . 4.030 2.604 1.971 3.916 . 0 0 "[ . 1 . 2 ]" 1 1586 1 90 LYS HE3 1 90 LYS QG . . 3.440 2.704 2.002 3.375 . 0 0 "[ . 1 . 2 ]" 1 1587 1 90 LYS QG 1 91 GLY H . . 4.500 3.806 3.538 4.281 . 0 0 "[ . 1 . 2 ]" 1 1588 1 90 LYS QG 1 92 ALA H . . 5.500 5.454 5.173 5.598 0.098 20 0 "[ . 1 . 2 ]" 1 1589 1 91 GLY H 1 92 ALA H . . 3.590 2.608 1.897 3.028 . 0 0 "[ . 1 . 2 ]" 1 1590 1 91 GLY H 1 92 ALA HA . . 5.500 5.246 4.605 5.559 0.059 17 0 "[ . 1 . 2 ]" 1 1591 1 91 GLY H 1 92 ALA MB . . 5.500 4.297 3.598 4.794 . 0 0 "[ . 1 . 2 ]" 1 1592 1 91 GLY QA 1 92 ALA HA . . 4.490 4.134 3.999 4.206 . 0 0 "[ . 1 . 2 ]" 1 1593 1 92 ALA H 1 92 ALA MB . . 3.280 2.228 2.095 2.475 . 0 0 "[ . 1 . 2 ]" 1 1594 1 92 ALA H 1 93 SER H . . 4.860 4.631 4.481 4.717 . 0 0 "[ . 1 . 2 ]" 1 1595 1 92 ALA H 1 93 SER HA . . 5.450 5.416 5.082 5.554 0.104 7 0 "[ . 1 . 2 ]" 1 1596 1 92 ALA H 1 108 LEU QD . . 5.500 3.820 3.124 4.559 . 0 0 "[ . 1 . 2 ]" 1 1597 1 92 ALA HA 1 93 SER H . . 2.730 2.566 2.395 2.808 0.078 17 0 "[ . 1 . 2 ]" 1 1598 1 92 ALA HA 1 99 VAL MG2 . . 4.560 4.232 3.790 4.680 0.120 15 0 "[ . 1 . 2 ]" 1 1599 1 92 ALA HA 1 108 LEU QD . . 3.440 2.411 2.113 2.944 . 0 0 "[ . 1 . 2 ]" 1 1600 1 92 ALA MB 1 93 SER H . . 3.220 2.341 1.964 2.618 . 0 0 "[ . 1 . 2 ]" 1 1601 1 92 ALA MB 1 93 SER QB . . 4.420 4.466 4.183 4.578 0.158 9 0 "[ . 1 . 2 ]" 1 1602 1 92 ALA MB 1 99 VAL HB . . 4.230 4.574 4.153 4.989 0.759 15 4 "[ . 1* +*- 2 ]" 1 1603 1 92 ALA MB 1 99 VAL MG1 . . 3.730 2.423 2.161 2.753 . 0 0 "[ . 1 . 2 ]" 1 1604 1 92 ALA MB 1 99 VAL MG2 . . 3.510 2.354 2.099 2.699 . 0 0 "[ . 1 . 2 ]" 1 1605 1 92 ALA MB 1 108 LEU QD . . 3.020 2.065 1.845 2.596 . 0 0 "[ . 1 . 2 ]" 1 1606 1 93 SER H 1 93 SER QB . . 3.520 3.265 2.812 3.464 . 0 0 "[ . 1 . 2 ]" 1 1607 1 93 SER H 1 99 VAL HA . . 5.410 4.638 4.263 5.000 . 0 0 "[ . 1 . 2 ]" 1 1608 1 93 SER H 1 99 VAL MG2 . . 4.030 2.754 2.380 3.644 . 0 0 "[ . 1 . 2 ]" 1 1609 1 93 SER H 1 108 LEU QD . . 4.620 3.526 3.021 3.780 . 0 0 "[ . 1 . 2 ]" 1 1610 1 93 SER HA 1 94 GLY H . . 2.880 2.367 2.202 2.552 . 0 0 "[ . 1 . 2 ]" 1 1611 1 93 SER QB 1 94 GLY H . . 3.260 2.889 2.536 3.386 0.126 2 0 "[ . 1 . 2 ]" 1 1612 1 94 GLY H 1 95 THR H . . 4.790 4.534 4.297 4.696 . 0 0 "[ . 1 . 2 ]" 1 1613 1 94 GLY H 1 95 THR HA . . 5.500 5.092 4.897 5.315 . 0 0 "[ . 1 . 2 ]" 1 1614 1 94 GLY H 1 99 VAL MG2 . . 4.730 3.784 3.275 4.458 . 0 0 "[ . 1 . 2 ]" 1 1615 1 94 GLY HA2 1 95 THR H . . 3.380 2.852 2.587 3.268 . 0 0 "[ . 1 . 2 ]" 1 1616 1 94 GLY HA2 1 95 THR MG . . 4.000 3.898 3.530 4.128 0.128 15 0 "[ . 1 . 2 ]" 1 1617 1 94 GLY HA3 1 95 THR H . . 3.010 2.411 2.233 2.627 . 0 0 "[ . 1 . 2 ]" 1 1618 1 94 GLY HA3 1 99 VAL H . . 5.470 4.239 3.738 5.229 . 0 0 "[ . 1 . 2 ]" 1 1619 1 95 THR H 1 95 THR HB . . 3.800 3.577 3.406 3.681 . 0 0 "[ . 1 . 2 ]" 1 1620 1 95 THR H 1 95 THR MG . . 3.210 2.697 2.328 3.204 . 0 0 "[ . 1 . 2 ]" 1 1621 1 95 THR H 1 98 GLU H . . 4.470 3.815 3.343 4.383 . 0 0 "[ . 1 . 2 ]" 1 1622 1 95 THR H 1 99 VAL H . . 4.770 3.863 3.457 4.391 . 0 0 "[ . 1 . 2 ]" 1 1623 1 95 THR H 1 99 VAL HB . . 4.330 5.376 5.010 5.731 1.401 19 22 [*****************-+***] 1 1624 1 95 THR H 1 99 VAL MG2 . . 5.500 3.572 3.236 3.850 . 0 0 "[ . 1 . 2 ]" 1 1625 1 95 THR HA 1 95 THR MG . . 2.770 2.309 2.159 2.538 . 0 0 "[ . 1 . 2 ]" 1 1626 1 95 THR HA 1 96 VAL H . . 3.120 2.474 2.329 2.647 . 0 0 "[ . 1 . 2 ]" 1 1627 1 95 THR HA 1 96 VAL HB . . 4.690 4.729 4.529 4.831 0.141 17 0 "[ . 1 . 2 ]" 1 1628 1 95 THR HA 1 96 VAL MG2 . . 4.130 3.927 3.702 4.101 . 0 0 "[ . 1 . 2 ]" 1 1629 1 95 THR HA 1 97 GLU H . . 4.990 4.697 4.448 4.898 . 0 0 "[ . 1 . 2 ]" 1 1630 1 95 THR HA 1 98 GLU H . . 5.500 4.737 4.488 4.874 . 0 0 "[ . 1 . 2 ]" 1 1631 1 95 THR HA 1 99 VAL H . . 5.500 4.946 4.868 5.041 . 0 0 "[ . 1 . 2 ]" 1 1632 1 95 THR HB 1 96 VAL H . . 3.360 2.466 2.202 2.936 . 0 0 "[ . 1 . 2 ]" 1 1633 1 95 THR HB 1 96 VAL HB . . 5.280 4.084 3.815 4.492 . 0 0 "[ . 1 . 2 ]" 1 1634 1 95 THR HB 1 97 GLU H . . 4.230 3.128 2.615 3.403 . 0 0 "[ . 1 . 2 ]" 1 1635 1 95 THR HB 1 98 GLU H . . 5.050 3.749 3.183 4.060 . 0 0 "[ . 1 . 2 ]" 1 1636 1 95 THR MG 1 96 VAL H . . 4.460 3.575 3.089 3.828 . 0 0 "[ . 1 . 2 ]" 1 1637 1 95 THR MG 1 97 GLU H . . 5.500 4.630 4.143 4.848 . 0 0 "[ . 1 . 2 ]" 1 1638 1 95 THR MG 1 97 GLU QG . . 4.390 3.894 3.252 4.235 . 0 0 "[ . 1 . 2 ]" 1 1639 1 95 THR MG 1 98 GLU H . . 4.710 4.640 4.124 5.004 0.294 10 0 "[ . 1 . 2 ]" 1 1640 1 95 THR MG 1 99 VAL H . . 5.490 5.537 5.278 5.613 0.123 10 0 "[ . 1 . 2 ]" 1 1641 1 96 VAL H 1 96 VAL HB . . 3.430 2.269 2.174 2.455 . 0 0 "[ . 1 . 2 ]" 1 1642 1 96 VAL H 1 96 VAL MG1 . . 4.660 3.716 3.660 3.802 . 0 0 "[ . 1 . 2 ]" 1 1643 1 96 VAL H 1 96 VAL MG2 . . 3.050 2.380 2.064 2.641 . 0 0 "[ . 1 . 2 ]" 1 1644 1 96 VAL H 1 97 GLU H . . 3.950 2.853 2.663 3.012 . 0 0 "[ . 1 . 2 ]" 1 1645 1 96 VAL H 1 97 GLU QB . . 5.110 5.145 5.027 5.220 0.110 18 0 "[ . 1 . 2 ]" 1 1646 1 96 VAL H 1 97 GLU QG . . 5.500 4.154 3.776 4.464 . 0 0 "[ . 1 . 2 ]" 1 1647 1 96 VAL HA 1 96 VAL HB . . 3.000 3.029 3.005 3.048 0.048 15 0 "[ . 1 . 2 ]" 1 1648 1 96 VAL HA 1 96 VAL MG1 . . 2.950 2.671 2.503 2.746 . 0 0 "[ . 1 . 2 ]" 1 1649 1 96 VAL HA 1 96 VAL MG2 . . 2.750 2.242 2.178 2.415 . 0 0 "[ . 1 . 2 ]" 1 1650 1 96 VAL HA 1 98 GLU H . . 5.460 4.120 3.760 4.343 . 0 0 "[ . 1 . 2 ]" 1 1651 1 96 VAL HA 1 99 VAL H . . 4.290 3.613 3.321 3.831 . 0 0 "[ . 1 . 2 ]" 1 1652 1 96 VAL HA 1 99 VAL HB . . 3.040 2.667 2.206 2.989 . 0 0 "[ . 1 . 2 ]" 1 1653 1 96 VAL HA 1 99 VAL MG1 . . 3.440 3.840 3.489 4.155 0.715 18 3 "[ - . 1 . + 2 *]" 1 1654 1 96 VAL HA 1 99 VAL MG2 . . 3.820 3.559 2.728 3.957 0.137 18 0 "[ . 1 . 2 ]" 1 1655 1 96 VAL HA 1 100 VAL H . . 4.520 3.927 3.531 4.434 . 0 0 "[ . 1 . 2 ]" 1 1656 1 96 VAL HA 1 100 VAL MG2 . . 4.090 3.540 3.177 3.881 . 0 0 "[ . 1 . 2 ]" 1 1657 1 96 VAL HB 1 98 GLU H . . 5.500 4.946 4.802 5.096 . 0 0 "[ . 1 . 2 ]" 1 1658 1 96 VAL MG1 1 97 GLU H . . 3.730 2.941 2.720 3.285 . 0 0 "[ . 1 . 2 ]" 1 1659 1 96 VAL MG1 1 97 GLU HA . . 3.820 3.075 2.924 3.322 . 0 0 "[ . 1 . 2 ]" 1 1660 1 96 VAL MG1 1 98 GLU H . . 4.550 4.639 4.438 4.714 0.164 17 0 "[ . 1 . 2 ]" 1 1661 1 96 VAL MG2 1 97 GLU H . . 4.510 3.994 3.826 4.016 . 0 0 "[ . 1 . 2 ]" 1 1662 1 96 VAL MG2 1 98 GLU H . . 4.870 5.301 5.111 5.445 0.575 5 6 "[ * + ** 1 - . * 2 ]" 1 1663 1 97 GLU H 1 97 GLU QB . . 3.170 2.577 2.409 2.837 . 0 0 "[ . 1 . 2 ]" 1 1664 1 97 GLU H 1 97 GLU QG . . 3.390 2.216 1.933 2.461 . 0 0 "[ . 1 . 2 ]" 1 1665 1 97 GLU H 1 98 GLU H . . 3.600 2.770 2.643 2.906 . 0 0 "[ . 1 . 2 ]" 1 1666 1 97 GLU H 1 99 VAL H . . 5.180 4.560 4.426 4.670 . 0 0 "[ . 1 . 2 ]" 1 1667 1 97 GLU HA 1 97 GLU QB . . 2.790 2.133 2.079 2.193 . 0 0 "[ . 1 . 2 ]" 1 1668 1 97 GLU HA 1 97 GLU QG . . 3.620 3.363 3.316 3.388 . 0 0 "[ . 1 . 2 ]" 1 1669 1 97 GLU HA 1 99 VAL H . . 5.500 4.909 4.669 5.094 . 0 0 "[ . 1 . 2 ]" 1 1670 1 97 GLU HA 1 100 VAL H . . 4.350 3.803 3.417 4.110 . 0 0 "[ . 1 . 2 ]" 1 1671 1 97 GLU HA 1 100 VAL HB . . 3.030 2.900 2.300 3.152 0.122 1 0 "[ . 1 . 2 ]" 1 1672 1 97 GLU HA 1 101 ASN H . . 4.810 4.226 3.880 4.570 . 0 0 "[ . 1 . 2 ]" 1 1673 1 97 GLU QB 1 98 GLU H . . 3.620 3.640 3.444 3.739 0.119 3 0 "[ . 1 . 2 ]" 1 1674 1 97 GLU QG 1 98 GLU H . . 3.600 2.476 2.155 2.828 . 0 0 "[ . 1 . 2 ]" 1 1675 1 98 GLU H 1 99 VAL H . . 3.420 2.519 2.248 2.852 . 0 0 "[ . 1 . 2 ]" 1 1676 1 98 GLU H 1 99 VAL HA . . 5.300 5.120 4.903 5.340 0.040 3 0 "[ . 1 . 2 ]" 1 1677 1 98 GLU H 1 99 VAL HB . . 4.850 4.267 3.917 4.665 . 0 0 "[ . 1 . 2 ]" 1 1678 1 98 GLU H 1 99 VAL MG2 . . 5.390 4.213 3.870 4.614 . 0 0 "[ . 1 . 2 ]" 1 1679 1 98 GLU H 1 100 VAL H . . 4.800 3.801 3.494 4.129 . 0 0 "[ . 1 . 2 ]" 1 1680 1 98 GLU H 1 101 ASN H . . 4.460 4.539 4.404 4.574 0.114 6 0 "[ . 1 . 2 ]" 1 1681 1 99 VAL H 1 99 VAL HB . . 3.210 2.265 2.152 2.532 . 0 0 "[ . 1 . 2 ]" 1 1682 1 99 VAL H 1 99 VAL MG1 . . 3.580 3.644 3.602 3.727 0.147 1 0 "[ . 1 . 2 ]" 1 1683 1 99 VAL H 1 99 VAL MG2 . . 3.390 2.242 2.071 2.401 . 0 0 "[ . 1 . 2 ]" 1 1684 1 99 VAL H 1 100 VAL H . . 3.510 2.819 2.684 2.945 . 0 0 "[ . 1 . 2 ]" 1 1685 1 99 VAL H 1 100 VAL HA . . 5.500 5.438 5.347 5.519 0.019 19 0 "[ . 1 . 2 ]" 1 1686 1 99 VAL H 1 100 VAL HB . . 4.660 4.907 4.500 5.256 0.596 3 2 "[ + . 1 . 2 *]" 1 1687 1 99 VAL H 1 100 VAL MG2 . . 4.390 4.474 4.317 4.520 0.130 8 0 "[ . 1 . 2 ]" 1 1688 1 99 VAL H 1 101 ASN H . . 4.820 4.301 4.151 4.439 . 0 0 "[ . 1 . 2 ]" 1 1689 1 99 VAL H 1 102 GLN H . . 5.500 4.700 4.598 4.840 . 0 0 "[ . 1 . 2 ]" 1 1690 1 99 VAL HA 1 99 VAL HB . . 2.840 3.059 3.037 3.084 0.244 1 0 "[ . 1 . 2 ]" 1 1691 1 99 VAL HA 1 99 VAL MG1 . . 3.120 2.554 2.450 2.640 . 0 0 "[ . 1 . 2 ]" 1 1692 1 99 VAL HA 1 99 VAL MG2 . . 2.820 2.353 2.237 2.481 . 0 0 "[ . 1 . 2 ]" 1 1693 1 99 VAL HA 1 100 VAL MG2 . . 5.240 5.091 4.879 5.247 0.007 12 0 "[ . 1 . 2 ]" 1 1694 1 99 VAL HA 1 101 ASN H . . 4.950 4.535 4.312 4.736 . 0 0 "[ . 1 . 2 ]" 1 1695 1 99 VAL HA 1 102 GLN H . . 3.560 3.432 3.181 3.751 0.191 16 0 "[ . 1 . 2 ]" 1 1696 1 99 VAL HA 1 102 GLN HB2 . . 3.220 2.751 2.587 3.023 . 0 0 "[ . 1 . 2 ]" 1 1697 1 99 VAL HA 1 102 GLN HB3 . . 4.430 4.329 4.204 4.562 0.132 19 0 "[ . 1 . 2 ]" 1 1698 1 99 VAL HA 1 102 GLN QG . . 4.280 2.791 2.493 2.950 . 0 0 "[ . 1 . 2 ]" 1 1699 1 99 VAL HA 1 103 TYR H . . 4.920 4.181 3.900 4.569 . 0 0 "[ . 1 . 2 ]" 1 1700 1 99 VAL HB 1 100 VAL H . . 3.760 2.723 2.393 3.137 . 0 0 "[ . 1 . 2 ]" 1 1701 1 99 VAL MG1 1 100 VAL H . . 3.540 3.277 3.077 3.675 0.135 18 0 "[ . 1 . 2 ]" 1 1702 1 99 VAL MG2 1 102 GLN HB2 . . 5.230 4.392 4.003 4.793 . 0 0 "[ . 1 . 2 ]" 1 1703 1 100 VAL H 1 100 VAL HB . . 3.150 2.369 2.206 2.647 . 0 0 "[ . 1 . 2 ]" 1 1704 1 100 VAL H 1 100 VAL MG1 . . 3.830 3.756 3.662 3.850 0.020 3 0 "[ . 1 . 2 ]" 1 1705 1 100 VAL H 1 100 VAL MG2 . . 2.910 2.385 2.243 2.751 . 0 0 "[ . 1 . 2 ]" 1 1706 1 100 VAL H 1 101 ASN HA . . 5.500 5.281 4.975 5.450 . 0 0 "[ . 1 . 2 ]" 1 1707 1 100 VAL H 1 101 ASN QB . . 4.870 4.421 4.007 4.598 . 0 0 "[ . 1 . 2 ]" 1 1708 1 100 VAL H 1 102 GLN HB2 . . 5.280 5.262 4.845 5.396 0.116 19 0 "[ . 1 . 2 ]" 1 1709 1 100 VAL H 1 102 GLN QG . . 5.370 5.046 4.752 5.301 . 0 0 "[ . 1 . 2 ]" 1 1710 1 100 VAL HA 1 100 VAL MG1 . . 3.150 2.533 2.325 2.706 . 0 0 "[ . 1 . 2 ]" 1 1711 1 100 VAL HA 1 100 VAL MG2 . . 2.920 2.330 2.231 2.436 . 0 0 "[ . 1 . 2 ]" 1 1712 1 100 VAL HA 1 102 GLN H . . 4.920 4.557 4.358 4.852 . 0 0 "[ . 1 . 2 ]" 1 1713 1 100 VAL HA 1 103 TYR H . . 3.940 3.616 3.241 3.976 0.036 12 0 "[ . 1 . 2 ]" 1 1714 1 100 VAL HA 1 103 TYR HB2 . . 4.140 4.296 3.742 4.975 0.835 18 2 "[ -. 1 . + 2 ]" 1 1715 1 100 VAL HA 1 103 TYR QD . . 4.110 3.729 3.448 4.000 . 0 0 "[ . 1 . 2 ]" 1 1716 1 100 VAL HA 1 104 LEU H . . 4.210 4.026 3.806 4.263 0.053 8 0 "[ . 1 . 2 ]" 1 1717 1 100 VAL HB 1 101 ASN H . . 3.570 2.718 2.509 3.030 . 0 0 "[ . 1 . 2 ]" 1 1718 1 100 VAL HB 1 102 GLN H . . 5.240 5.191 5.015 5.346 0.106 10 0 "[ . 1 . 2 ]" 1 1719 1 100 VAL MG1 1 101 ASN H . . 4.360 3.329 2.878 3.710 . 0 0 "[ . 1 . 2 ]" 1 1720 1 100 VAL MG1 1 101 ASN HA . . 4.040 3.468 3.105 3.737 . 0 0 "[ . 1 . 2 ]" 1 1721 1 101 ASN H 1 101 ASN QB . . 3.190 2.250 2.125 2.336 . 0 0 "[ . 1 . 2 ]" 1 1722 1 101 ASN H 1 102 GLN HB2 . . 5.270 5.032 4.860 5.276 0.006 4 0 "[ . 1 . 2 ]" 1 1723 1 101 ASN H 1 103 TYR HB3 . . 5.500 5.350 5.099 5.826 0.326 18 0 "[ . 1 . 2 ]" 1 1724 1 101 ASN H 1 104 LEU H . . 5.500 4.798 4.718 4.935 . 0 0 "[ . 1 . 2 ]" 1 1725 1 101 ASN HA 1 104 LEU H . . 4.100 3.399 3.225 3.677 . 0 0 "[ . 1 . 2 ]" 1 1726 1 101 ASN HA 1 104 LEU QB . . 3.220 2.497 2.253 2.718 . 0 0 "[ . 1 . 2 ]" 1 1727 1 101 ASN HA 1 104 LEU QD . . 3.390 3.127 2.745 3.498 0.108 9 0 "[ . 1 . 2 ]" 1 1728 1 101 ASN HA 1 104 LEU HG . . 5.040 4.672 3.835 5.184 0.144 12 0 "[ . 1 . 2 ]" 1 1729 1 101 ASN QB 1 102 GLN H . . 3.830 2.645 2.398 2.898 . 0 0 "[ . 1 . 2 ]" 1 1730 1 101 ASN QB 1 102 GLN HA . . 3.820 4.184 3.657 4.419 0.599 6 9 "[ -**+ *1 . ****]" 1 1731 1 102 GLN H 1 102 GLN HB2 . . 3.250 2.625 2.492 2.784 . 0 0 "[ . 1 . 2 ]" 1 1732 1 102 GLN H 1 102 GLN HB3 . . 3.680 3.644 3.583 3.695 0.015 18 0 "[ . 1 . 2 ]" 1 1733 1 102 GLN H 1 102 GLN QG . . 3.340 2.300 2.098 2.503 . 0 0 "[ . 1 . 2 ]" 1 1734 1 102 GLN H 1 103 TYR HA . . 5.500 5.467 5.388 5.537 0.037 17 0 "[ . 1 . 2 ]" 1 1735 1 102 GLN H 1 104 LEU H . . 4.950 4.380 4.285 4.509 . 0 0 "[ . 1 . 2 ]" 1 1736 1 102 GLN H 1 105 SER H . . 5.500 4.744 4.636 4.855 . 0 0 "[ . 1 . 2 ]" 1 1737 1 102 GLN H 1 108 LEU QD . . 4.940 4.012 3.808 4.139 . 0 0 "[ . 1 . 2 ]" 1 1738 1 102 GLN HA 1 102 GLN HB3 . . 3.040 2.470 2.408 2.532 . 0 0 "[ . 1 . 2 ]" 1 1739 1 102 GLN HA 1 102 GLN QG . . 2.900 2.471 2.355 2.636 . 0 0 "[ . 1 . 2 ]" 1 1740 1 102 GLN HA 1 104 LEU H . . 5.500 4.810 4.673 4.938 . 0 0 "[ . 1 . 2 ]" 1 1741 1 102 GLN HA 1 105 SER H . . 4.680 3.682 3.450 3.861 . 0 0 "[ . 1 . 2 ]" 1 1742 1 102 GLN HA 1 107 GLN HB2 . . 3.580 3.317 2.758 3.832 0.252 19 0 "[ . 1 . 2 ]" 1 1743 1 102 GLN HA 1 107 GLN HG3 . . 4.280 3.490 2.571 4.084 . 0 0 "[ . 1 . 2 ]" 1 1744 1 102 GLN HA 1 108 LEU QD . . 4.950 4.150 3.860 4.558 . 0 0 "[ . 1 . 2 ]" 1 1745 1 102 GLN HB2 1 103 TYR H . . 3.850 2.637 2.341 2.939 . 0 0 "[ . 1 . 2 ]" 1 1746 1 102 GLN HB2 1 108 LEU HA . . 4.980 5.366 4.823 5.572 0.592 19 8 "[ ** * 1 * . *-+* ]" 1 1747 1 102 GLN HB2 1 108 LEU HB2 . . 4.180 3.647 2.976 4.475 0.295 3 0 "[ . 1 . 2 ]" 1 1748 1 102 GLN HB2 1 108 LEU QD . . 4.000 2.172 1.963 2.439 . 0 0 "[ . 1 . 2 ]" 1 1749 1 102 GLN HB2 1 108 LEU HG . . 4.900 4.324 2.725 5.017 0.117 21 0 "[ . 1 . 2 ]" 1 1750 1 102 GLN HB3 1 103 TYR H . . 4.260 3.645 3.438 3.904 . 0 0 "[ . 1 . 2 ]" 1 1751 1 102 GLN HB3 1 107 GLN H . . 4.970 4.356 3.988 4.656 . 0 0 "[ . 1 . 2 ]" 1 1752 1 102 GLN HB3 1 108 LEU H . . 4.550 3.668 3.239 4.203 . 0 0 "[ . 1 . 2 ]" 1 1753 1 102 GLN HB3 1 108 LEU HA . . 4.790 4.593 4.008 5.101 0.311 19 0 "[ . 1 . 2 ]" 1 1754 1 102 GLN HB3 1 108 LEU HB2 . . 3.980 3.518 2.852 4.504 0.524 3 2 "[ + . 1 . 2 *]" 1 1755 1 102 GLN HB3 1 108 LEU QD . . 4.200 2.459 2.127 3.290 . 0 0 "[ . 1 . 2 ]" 1 1756 1 102 GLN QG 1 103 TYR H . . 4.740 4.096 3.935 4.271 . 0 0 "[ . 1 . 2 ]" 1 1757 1 102 GLN QG 1 108 LEU QD . . 4.650 3.489 3.207 4.053 . 0 0 "[ . 1 . 2 ]" 1 1758 1 103 TYR H 1 103 TYR HB2 . . 3.420 2.746 2.507 2.956 . 0 0 "[ . 1 . 2 ]" 1 1759 1 103 TYR H 1 103 TYR HB3 . . 3.370 2.256 2.138 2.401 . 0 0 "[ . 1 . 2 ]" 1 1760 1 103 TYR H 1 103 TYR QD . . 4.280 4.088 3.942 4.181 . 0 0 "[ . 1 . 2 ]" 1 1761 1 103 TYR H 1 104 LEU H . . 3.730 2.741 2.575 2.979 . 0 0 "[ . 1 . 2 ]" 1 1762 1 103 TYR H 1 104 LEU HA . . 5.500 5.326 5.153 5.492 . 0 0 "[ . 1 . 2 ]" 1 1763 1 103 TYR H 1 104 LEU QD . . 5.500 4.439 3.750 5.157 . 0 0 "[ . 1 . 2 ]" 1 1764 1 103 TYR H 1 105 SER H . . 4.730 3.910 3.708 4.053 . 0 0 "[ . 1 . 2 ]" 1 1765 1 103 TYR H 1 108 LEU HB2 . . 4.230 3.512 3.215 3.998 . 0 0 "[ . 1 . 2 ]" 1 1766 1 103 TYR H 1 108 LEU QD . . 4.470 2.667 2.469 2.809 . 0 0 "[ . 1 . 2 ]" 1 1767 1 103 TYR H 1 108 LEU HG . . 5.470 5.113 4.348 5.582 0.112 19 0 "[ . 1 . 2 ]" 1 1768 1 103 TYR HA 1 103 TYR QD . . 2.870 2.595 2.310 2.833 . 0 0 "[ . 1 . 2 ]" 1 1769 1 103 TYR HA 1 106 GLY H . . 4.340 3.306 2.980 3.514 . 0 0 "[ . 1 . 2 ]" 1 1770 1 103 TYR HA 1 108 LEU H . . 4.030 2.675 2.379 2.916 . 0 0 "[ . 1 . 2 ]" 1 1771 1 103 TYR HA 1 108 LEU HB2 . . 3.390 2.213 1.962 2.536 . 0 0 "[ . 1 . 2 ]" 1 1772 1 103 TYR HA 1 108 LEU HB3 . . 3.520 3.039 2.331 3.619 0.099 3 0 "[ . 1 . 2 ]" 1 1773 1 103 TYR HA 1 108 LEU QD . . 3.150 3.182 2.776 3.448 0.298 19 0 "[ . 1 . 2 ]" 1 1774 1 103 TYR HA 1 108 LEU HG . . 4.960 4.618 4.126 5.132 0.172 19 0 "[ . 1 . 2 ]" 1 1775 1 103 TYR HB2 1 104 LEU H . . 4.150 4.022 3.859 4.241 0.091 8 0 "[ . 1 . 2 ]" 1 1776 1 103 TYR HB2 1 105 SER H . . 5.500 5.584 5.575 5.591 0.091 18 0 "[ . 1 . 2 ]" 1 1777 1 103 TYR HB2 1 106 GLY H . . 5.500 5.429 5.176 5.579 0.079 10 0 "[ . 1 . 2 ]" 1 1778 1 103 TYR HB2 1 108 LEU H . . 4.460 4.406 3.929 4.643 0.183 21 0 "[ . 1 . 2 ]" 1 1779 1 103 TYR HB2 1 108 LEU HB2 . . 3.610 2.776 2.232 3.312 . 0 0 "[ . 1 . 2 ]" 1 1780 1 103 TYR HB2 1 108 LEU HB3 . . 4.570 2.905 2.636 3.099 . 0 0 "[ . 1 . 2 ]" 1 1781 1 103 TYR HB2 1 108 LEU QD . . 3.880 2.328 2.158 2.634 . 0 0 "[ . 1 . 2 ]" 1 1782 1 103 TYR HB3 1 104 LEU H . . 3.780 2.713 2.464 3.027 . 0 0 "[ . 1 . 2 ]" 1 1783 1 103 TYR HB3 1 105 SER H . . 5.470 4.883 4.741 5.029 . 0 0 "[ . 1 . 2 ]" 1 1784 1 103 TYR HB3 1 106 GLY H . . 5.500 5.397 5.240 5.557 0.057 15 0 "[ . 1 . 2 ]" 1 1785 1 103 TYR HB3 1 108 LEU H . . 5.500 5.452 5.155 5.571 0.071 21 0 "[ . 1 . 2 ]" 1 1786 1 103 TYR HB3 1 108 LEU QD . . 5.320 3.281 2.900 3.550 . 0 0 "[ . 1 . 2 ]" 1 1787 1 103 TYR QD 1 104 LEU H . . 4.130 3.207 3.002 3.422 . 0 0 "[ . 1 . 2 ]" 1 1788 1 103 TYR QD 1 104 LEU HA . . 3.630 3.739 3.542 3.805 0.175 4 0 "[ . 1 . 2 ]" 1 1789 1 103 TYR QD 1 104 LEU QD . . 2.880 2.290 1.970 2.837 . 0 0 "[ . 1 . 2 ]" 1 1790 1 103 TYR QD 1 104 LEU HG . . 3.230 3.402 2.386 4.100 0.870 12 12 "[ * ****- 1 +*** ** ]" 1 1791 1 103 TYR QD 1 105 SER H . . 5.500 5.252 5.150 5.405 . 0 0 "[ . 1 . 2 ]" 1 1792 1 103 TYR QD 1 106 GLY H . . 5.500 4.764 4.557 5.083 . 0 0 "[ . 1 . 2 ]" 1 1793 1 103 TYR QD 1 108 LEU H . . 5.270 4.321 3.628 4.846 . 0 0 "[ . 1 . 2 ]" 1 1794 1 103 TYR QD 1 108 LEU HB2 . . 4.120 3.478 2.699 4.300 0.180 10 0 "[ . 1 . 2 ]" 1 1795 1 103 TYR QD 1 108 LEU HB3 . . 3.680 2.932 2.463 3.481 . 0 0 "[ . 1 . 2 ]" 1 1796 1 103 TYR QD 1 108 LEU QD . . 3.940 3.752 3.332 3.956 0.016 4 0 "[ . 1 . 2 ]" 1 1797 1 103 TYR QD 1 109 LYS H . . 5.500 5.473 4.853 5.594 0.094 15 0 "[ . 1 . 2 ]" 1 1798 1 103 TYR QE 1 104 LEU H . . 5.500 5.003 4.853 5.153 . 0 0 "[ . 1 . 2 ]" 1 1799 1 103 TYR QE 1 104 LEU HA . . 4.060 4.213 4.065 4.244 0.184 12 0 "[ . 1 . 2 ]" 1 1800 1 103 TYR QE 1 104 LEU QD . . 4.130 2.934 2.431 3.230 . 0 0 "[ . 1 . 2 ]" 1 1801 1 104 LEU H 1 104 LEU QB . . 3.510 2.310 2.133 2.424 . 0 0 "[ . 1 . 2 ]" 1 1802 1 104 LEU H 1 104 LEU QD . . 3.830 2.630 2.077 3.266 . 0 0 "[ . 1 . 2 ]" 1 1803 1 104 LEU H 1 104 LEU HG . . 3.410 3.146 2.476 3.638 0.228 7 0 "[ . 1 . 2 ]" 1 1804 1 104 LEU H 1 105 SER H . . 3.520 2.646 2.507 2.808 . 0 0 "[ . 1 . 2 ]" 1 1805 1 104 LEU H 1 105 SER HA . . 5.500 5.325 5.212 5.403 . 0 0 "[ . 1 . 2 ]" 1 1806 1 104 LEU H 1 106 GLY H . . 5.140 4.058 3.939 4.256 . 0 0 "[ . 1 . 2 ]" 1 1807 1 104 LEU H 1 107 GLN H . . 5.500 5.539 5.354 5.588 0.088 7 0 "[ . 1 . 2 ]" 1 1808 1 104 LEU H 1 108 LEU QD . . 5.430 4.808 4.608 5.026 . 0 0 "[ . 1 . 2 ]" 1 1809 1 104 LEU HA 1 104 LEU QD . . 2.920 2.429 2.046 2.828 . 0 0 "[ . 1 . 2 ]" 1 1810 1 104 LEU HA 1 104 LEU HG . . 3.760 2.621 2.129 3.264 . 0 0 "[ . 1 . 2 ]" 1 1811 1 104 LEU HA 1 105 SER HA . . 4.910 4.764 4.670 4.824 . 0 0 "[ . 1 . 2 ]" 1 1812 1 104 LEU HA 1 106 GLY H . . 4.380 3.764 3.469 4.457 0.077 12 0 "[ . 1 . 2 ]" 1 1813 1 104 LEU QB 1 105 SER H . . 3.830 2.887 2.670 3.072 . 0 0 "[ . 1 . 2 ]" 1 1814 1 104 LEU QB 1 106 GLY H . . 5.500 4.564 4.451 4.806 . 0 0 "[ . 1 . 2 ]" 1 1815 1 104 LEU QD 1 105 SER H . . 5.050 4.171 3.946 4.376 . 0 0 "[ . 1 . 2 ]" 1 1816 1 104 LEU QD 1 106 GLY H . . 5.500 5.040 4.806 5.314 . 0 0 "[ . 1 . 2 ]" 1 1817 1 105 SER H 1 105 SER HB2 . . 3.510 2.362 2.205 2.558 . 0 0 "[ . 1 . 2 ]" 1 1818 1 105 SER H 1 105 SER HB3 . . 3.450 3.512 2.790 3.624 0.174 6 0 "[ . 1 . 2 ]" 1 1819 1 105 SER H 1 106 GLY H . . 3.390 2.586 2.311 2.727 . 0 0 "[ . 1 . 2 ]" 1 1820 1 105 SER H 1 106 GLY HA2 . . 4.660 4.840 4.498 4.997 0.337 20 0 "[ . 1 . 2 ]" 1 1821 1 105 SER H 1 107 GLN H . . 3.970 3.885 3.727 4.072 0.102 12 0 "[ . 1 . 2 ]" 1 1822 1 105 SER H 1 107 GLN HB2 . . 5.500 5.305 4.972 5.568 0.068 16 0 "[ . 1 . 2 ]" 1 1823 1 105 SER H 1 108 LEU QD . . 5.500 5.474 5.108 5.695 0.195 16 0 "[ . 1 . 2 ]" 1 1824 1 105 SER HA 1 105 SER HB2 . . 2.960 3.008 2.623 3.050 0.090 15 0 "[ . 1 . 2 ]" 1 1825 1 105 SER HA 1 107 GLN H . . 4.910 4.700 4.433 5.316 0.406 12 0 "[ . 1 . 2 ]" 1 1826 1 105 SER HB2 1 107 GLN H . . 4.900 3.308 2.589 4.673 . 0 0 "[ . 1 . 2 ]" 1 1827 1 105 SER HB3 1 106 GLY H . . 4.320 4.116 3.507 4.433 0.113 2 0 "[ . 1 . 2 ]" 1 1828 1 106 GLY H 1 107 GLN H . . 3.510 2.580 2.047 2.821 . 0 0 "[ . 1 . 2 ]" 1 1829 1 106 GLY H 1 107 GLN HB2 . . 5.300 4.871 4.210 5.224 . 0 0 "[ . 1 . 2 ]" 1 1830 1 106 GLY H 1 107 GLN HG3 . . 5.500 5.372 4.120 6.037 0.537 2 1 "[ + . 1 . 2 ]" 1 1831 1 106 GLY HA2 1 108 LEU H . . 5.020 4.030 3.461 4.372 . 0 0 "[ . 1 . 2 ]" 1 1832 1 106 GLY HA3 1 108 LEU H . . 5.330 4.984 4.610 5.403 0.073 15 0 "[ . 1 . 2 ]" 1 1833 1 107 GLN H 1 107 GLN HB2 . . 3.330 2.507 2.377 2.706 . 0 0 "[ . 1 . 2 ]" 1 1834 1 107 GLN H 1 107 GLN HB3 . . 3.750 3.622 3.585 3.676 . 0 0 "[ . 1 . 2 ]" 1 1835 1 107 GLN H 1 107 GLN HG3 . . 3.490 3.297 2.292 3.691 0.201 14 0 "[ . 1 . 2 ]" 1 1836 1 107 GLN H 1 108 LEU H . . 3.110 2.384 2.203 2.632 . 0 0 "[ . 1 . 2 ]" 1 1837 1 107 GLN H 1 108 LEU HB2 . . 4.880 4.132 3.935 4.374 . 0 0 "[ . 1 . 2 ]" 1 1838 1 107 GLN H 1 108 LEU QD . . 5.500 4.661 4.202 5.070 . 0 0 "[ . 1 . 2 ]" 1 1839 1 107 GLN HA 1 107 GLN HB3 . . 2.620 2.468 2.371 2.538 . 0 0 "[ . 1 . 2 ]" 1 1840 1 107 GLN HA 1 107 GLN HG3 . . 3.490 3.727 3.259 3.965 0.475 4 0 "[ . 1 . 2 ]" 1 1841 1 107 GLN HA 1 108 LEU H . . 3.510 3.499 3.406 3.561 0.051 18 0 "[ . 1 . 2 ]" 1 1842 1 107 GLN HB2 1 107 GLN HG2 . . 2.910 2.671 2.435 3.036 0.126 19 0 "[ . 1 . 2 ]" 1 1843 1 107 GLN HB3 1 108 LEU H . . 4.050 3.685 3.350 3.986 . 0 0 "[ . 1 . 2 ]" 1 1844 1 107 GLN HG3 1 108 LEU H . . 5.020 4.637 4.221 5.214 0.194 14 0 "[ . 1 . 2 ]" 1 1845 1 108 LEU H 1 108 LEU HB2 . . 3.430 2.083 1.999 2.263 . 0 0 "[ . 1 . 2 ]" 1 1846 1 108 LEU H 1 108 LEU HB3 . . 3.340 3.198 2.773 3.425 0.085 8 0 "[ . 1 . 2 ]" 1 1847 1 108 LEU H 1 108 LEU QD . . 4.380 3.241 2.856 3.659 . 0 0 "[ . 1 . 2 ]" 1 1848 1 108 LEU H 1 108 LEU HG . . 4.180 4.157 2.938 4.647 0.467 14 0 "[ . 1 . 2 ]" 1 1849 1 108 LEU H 1 109 LYS H . . 4.420 4.650 4.525 4.740 0.320 13 0 "[ . 1 . 2 ]" 1 1850 1 108 LEU H 1 109 LYS QD . . 5.460 5.320 4.681 5.595 0.135 1 0 "[ . 1 . 2 ]" 1 1851 1 108 LEU HA 1 108 LEU HB3 . . 2.970 2.900 2.746 3.030 0.060 21 0 "[ . 1 . 2 ]" 1 1852 1 108 LEU HA 1 108 LEU QD . . 2.910 2.052 1.975 2.107 . 0 0 "[ . 1 . 2 ]" 1 1853 1 108 LEU HA 1 109 LYS H . . 2.780 2.320 2.110 2.570 . 0 0 "[ . 1 . 2 ]" 1 1854 1 108 LEU HB3 1 109 LYS H . . 4.180 3.242 2.648 3.789 . 0 0 "[ . 1 . 2 ]" 1 1855 1 108 LEU QD 1 109 LYS H . . 5.500 2.901 2.116 3.653 . 0 0 "[ . 1 . 2 ]" 1 1856 1 108 LEU QD 1 109 LYS QE . . 5.500 5.922 3.907 7.122 1.622 12 12 "[*- *.** **+* * ** 2 ]" 1 1857 1 108 LEU HG 1 109 LYS H . . 4.430 3.575 1.982 4.529 0.099 5 0 "[ . 1 . 2 ]" 1 1858 1 109 LYS H 1 109 LYS HB2 . . 3.690 3.260 2.450 3.992 0.302 20 0 "[ . 1 . 2 ]" 1 1859 1 109 LYS H 1 109 LYS HB3 . . 3.400 3.217 2.762 3.485 0.085 8 0 "[ . 1 . 2 ]" 1 1860 1 109 LYS H 1 109 LYS QD . . 4.940 3.711 2.160 5.029 0.089 1 0 "[ . 1 . 2 ]" 1 1861 1 109 LYS H 1 109 LYS QE . . 5.500 4.960 3.176 5.602 0.102 12 0 "[ . 1 . 2 ]" 1 1862 1 109 LYS H 1 109 LYS QG . . 3.660 3.867 2.691 4.463 0.803 9 14 "[***-.** +** * * ** 2 *]" 1 1863 1 109 LYS HA 1 109 LYS QD . . 3.990 2.887 1.986 4.067 0.077 8 0 "[ . 1 . 2 ]" 1 1864 1 109 LYS HA 1 109 LYS QG . . 3.430 2.833 2.077 3.533 0.103 20 0 "[ . 1 . 2 ]" 1 1865 1 109 LYS HA 1 110 ASP H . . 2.820 2.419 2.174 2.683 . 0 0 "[ . 1 . 2 ]" 1 1866 1 109 LYS HB2 1 110 ASP H . . 3.810 3.475 2.250 4.277 0.467 13 0 "[ . 1 . 2 ]" 1 1867 1 109 LYS HB2 1 111 SER H . . 5.500 4.286 2.408 5.576 0.076 2 0 "[ . 1 . 2 ]" 1 1868 1 109 LYS HB3 1 109 LYS QE . . 4.750 3.756 2.114 4.476 . 0 0 "[ . 1 . 2 ]" 1 1869 1 109 LYS HB3 1 110 ASP H . . 4.180 3.364 2.637 3.830 . 0 0 "[ . 1 . 2 ]" 1 1870 1 109 LYS HB3 1 111 SER H . . 5.500 3.616 2.489 5.582 0.082 5 0 "[ . 1 . 2 ]" 1 1871 1 109 LYS QD 1 109 LYS QG . . 2.400 2.077 2.011 2.138 . 0 0 "[ . 1 . 2 ]" 1 1872 1 109 LYS QD 1 110 ASP H . . 5.500 3.999 2.681 5.185 . 0 0 "[ . 1 . 2 ]" 1 1873 1 109 LYS QE 1 109 LYS QG . . 2.870 2.168 1.962 2.386 . 0 0 "[ . 1 . 2 ]" 1 1874 1 109 LYS QE 1 110 ASP H . . 5.500 4.145 2.358 5.584 0.084 14 0 "[ . 1 . 2 ]" 1 1875 1 109 LYS QG 1 110 ASP H . . 4.620 2.484 1.712 3.622 . 0 0 "[ . 1 . 2 ]" 1 1876 1 109 LYS QG 1 111 SER H . . 5.070 3.073 1.870 4.078 . 0 0 "[ . 1 . 2 ]" 1 1877 1 110 ASP H 1 110 ASP QB . . 3.390 2.797 2.229 3.152 . 0 0 "[ . 1 . 2 ]" 1 1878 1 110 ASP H 1 111 SER H . . 4.730 2.831 2.004 3.992 . 0 0 "[ . 1 . 2 ]" 1 1879 1 110 ASP H 1 111 SER QB . . 4.860 4.637 3.951 4.811 . 0 0 "[ . 1 . 2 ]" 1 1880 1 110 ASP HA 1 111 SER H . . 2.930 2.801 2.143 3.062 0.132 17 0 "[ . 1 . 2 ]" 1 1881 1 111 SER H 1 111 SER QB . . 3.710 2.604 2.146 3.113 . 0 0 "[ . 1 . 2 ]" 1 1882 1 111 SER H 1 112 ASP H . . 4.520 4.063 2.512 4.766 0.246 2 0 "[ . 1 . 2 ]" 1 1883 1 111 SER HA 1 112 ASP H . . 3.120 2.753 2.270 3.224 0.104 18 0 "[ . 1 . 2 ]" 1 1884 1 111 SER QB 1 112 ASP H . . 4.960 3.020 1.858 4.101 . 0 0 "[ . 1 . 2 ]" 1 1885 1 111 SER QB 1 113 TYR H . . 5.460 5.255 4.833 5.410 . 0 0 "[ . 1 . 2 ]" 1 1886 1 112 ASP H 1 112 ASP HA . . 2.720 2.841 2.169 3.026 0.306 18 0 "[ . 1 . 2 ]" 1 1887 1 112 ASP H 1 112 ASP HB2 . . 3.890 3.172 2.318 3.840 . 0 0 "[ . 1 . 2 ]" 1 1888 1 112 ASP H 1 112 ASP HB3 . . 3.550 3.275 2.543 3.903 0.353 19 0 "[ . 1 . 2 ]" 1 1889 1 112 ASP H 1 113 TYR H . . 4.150 3.712 2.707 4.265 0.115 20 0 "[ . 1 . 2 ]" 1 1890 1 112 ASP H 1 113 TYR QD . . 5.500 5.367 4.489 5.605 0.105 2 0 "[ . 1 . 2 ]" 1 1891 1 112 ASP HA 1 113 TYR H . . 2.690 2.229 1.985 2.745 0.055 21 0 "[ . 1 . 2 ]" 1 1892 1 112 ASP HB2 1 113 TYR H . . 4.460 4.278 3.292 4.713 0.253 17 0 "[ . 1 . 2 ]" 1 1893 1 112 ASP HB3 1 113 TYR H . . 4.750 4.136 2.406 4.569 . 0 0 "[ . 1 . 2 ]" 1 1894 1 113 TYR H 1 113 TYR QB . . 3.370 2.565 1.921 2.967 . 0 0 "[ . 1 . 2 ]" 1 1895 1 113 TYR H 1 113 TYR QD . . 4.500 4.228 2.651 4.533 0.033 14 0 "[ . 1 . 2 ]" 1 1896 1 113 TYR HA 1 113 TYR QD . . 3.620 2.711 2.027 3.227 . 0 0 "[ . 1 . 2 ]" 1 1897 1 113 TYR HA 1 114 GLU H . . 2.920 2.480 2.131 3.057 0.137 7 0 "[ . 1 . 2 ]" 1 1898 1 113 TYR QB 1 114 GLU H . . 4.040 3.375 2.584 4.104 0.064 6 0 "[ . 1 . 2 ]" 1 1899 1 113 TYR QD 1 114 GLU H . . 4.840 3.038 1.854 4.925 0.085 10 0 "[ . 1 . 2 ]" 1 1900 1 113 TYR QD 1 114 GLU HA . . 4.530 4.400 2.619 4.726 0.196 7 0 "[ . 1 . 2 ]" 1 1901 1 113 TYR QD 1 114 GLU QG . . 3.310 3.216 2.234 3.509 0.199 7 0 "[ . 1 . 2 ]" 1 1902 1 114 GLU H 1 114 GLU HB2 . . 3.970 3.319 2.381 3.958 . 0 0 "[ . 1 . 2 ]" 1 1903 1 114 GLU H 1 114 GLU HB3 . . 3.580 3.308 2.562 3.965 0.385 5 0 "[ . 1 . 2 ]" 1 1904 1 114 GLU H 1 114 GLU QG . . 4.780 2.576 1.852 4.116 . 0 0 "[ . 1 . 2 ]" 1 1905 1 114 GLU HA 1 115 VAL H . . 2.710 2.385 2.114 2.816 0.106 17 0 "[ . 1 . 2 ]" 1 1906 1 114 GLU HA 1 115 VAL QG . . 4.240 3.526 3.070 4.232 . 0 0 "[ . 1 . 2 ]" 1 1907 1 114 GLU HB2 1 114 GLU QG . . 2.470 2.379 2.142 2.575 0.105 21 0 "[ . 1 . 2 ]" 1 1908 1 114 GLU HB2 1 115 VAL H . . 4.880 3.556 2.317 4.638 . 0 0 "[ . 1 . 2 ]" 1 1909 1 114 GLU HB3 1 115 VAL H . . 4.540 3.861 2.099 4.504 . 0 0 "[ . 1 . 2 ]" 1 1910 1 114 GLU QG 1 115 VAL H . . 5.260 4.046 2.457 5.030 . 0 0 "[ . 1 . 2 ]" 1 1911 1 114 GLU QG 1 115 VAL QG . . 4.760 4.617 2.679 5.569 0.809 2 3 "[ + . 1 . -2* ]" 1 1912 1 115 VAL H 1 115 VAL HB . . 3.460 3.240 2.323 3.574 0.114 6 0 "[ . 1 . 2 ]" 1 1913 1 115 VAL H 1 115 VAL QG . . 3.850 2.245 1.817 3.023 . 0 0 "[ . 1 . 2 ]" 1 1914 1 115 VAL HA 1 115 VAL QG . . 3.060 2.196 2.092 2.329 . 0 0 "[ . 1 . 2 ]" 1 1915 1 115 VAL QG 1 116 HIS H . . 4.510 3.134 1.980 3.759 . 0 0 "[ . 1 . 2 ]" 1 stop_ save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 11:25:39 PM GMT (wattos1)