NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
467091 | 2ku6 | 16723 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ku6 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 2745 _Distance_constraint_stats_list.Viol_count 5537 _Distance_constraint_stats_list.Viol_total 9851.930 _Distance_constraint_stats_list.Viol_max 2.689 _Distance_constraint_stats_list.Viol_rms 0.0525 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0090 _Distance_constraint_stats_list.Viol_average_violations_only 0.0890 _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 SER 3.678 0.125 1 0 "[ . 1 . 2]" 1 2 VAL 6.408 0.125 1 0 "[ . 1 . 2]" 1 3 VAL 5.304 0.147 8 0 "[ . 1 . 2]" 1 4 GLY 5.687 0.123 17 0 "[ . 1 . 2]" 1 5 GLY 2.839 0.110 12 0 "[ . 1 . 2]" 1 6 LEU 6.422 0.399 11 0 "[ . 1 . 2]" 1 7 GLY 1.142 0.077 6 0 "[ . 1 . 2]" 1 8 GLY 2.185 0.087 6 0 "[ . 1 . 2]" 1 9 TYR 9.462 0.174 11 0 "[ . 1 . 2]" 1 10 MET 3.597 0.106 16 0 "[ . 1 . 2]" 1 11 LEU 12.235 0.909 16 1 "[ . 1 .+ 2]" 1 12 GLY 0.535 0.196 3 0 "[ . 1 . 2]" 1 13 SER 3.820 0.909 16 1 "[ . 1 .+ 2]" 1 14 ALA 7.175 0.422 19 0 "[ . 1 . 2]" 1 15 MET 12.646 0.145 9 0 "[ . 1 . 2]" 1 16 SER 1.039 0.079 13 0 "[ . 1 . 2]" 1 17 ARG 12.883 0.922 15 8 "[* *-* *1 * + * 2]" 1 18 PRO 5.141 0.272 1 0 "[ . 1 . 2]" 1 19 MET 4.914 0.133 15 0 "[ . 1 . 2]" 1 20 ILE 9.294 0.147 12 0 "[ . 1 . 2]" 1 21 HIS 4.674 0.110 8 0 "[ . 1 . 2]" 1 22 PHE 9.640 0.611 2 1 "[ + . 1 . 2]" 1 23 GLY 0.772 0.078 16 0 "[ . 1 . 2]" 1 24 ASN 8.257 0.107 11 0 "[ . 1 . 2]" 1 25 ASP 3.069 0.098 2 0 "[ . 1 . 2]" 1 26 TRP 8.583 0.107 11 0 "[ . 1 . 2]" 1 27 GLU 4.747 0.092 10 0 "[ . 1 . 2]" 1 28 ASP 2.523 0.090 14 0 "[ . 1 . 2]" 1 29 ARG 6.945 0.683 9 1 "[ . +1 . 2]" 1 30 TYR 10.059 0.127 9 0 "[ . 1 . 2]" 1 31 TYR 12.158 0.475 8 0 "[ . 1 . 2]" 1 32 ARG 5.730 0.686 13 2 "[ . - 1 + . 2]" 1 33 GLU 4.199 0.103 13 0 "[ . 1 . 2]" 1 34 ASN 4.703 0.165 13 0 "[ . 1 . 2]" 1 35 MET 13.106 0.922 15 4 "[ .- *1 + * 2]" 1 36 TYR 5.446 0.143 14 0 "[ . 1 . 2]" 1 37 ARG 40.822 2.689 8 18 "[*-* ***+********* **]" 1 38 TYR 8.137 0.152 16 0 "[ . 1 . 2]" 1 39 PRO 5.884 0.111 18 0 "[ . 1 . 2]" 1 40 ASN 7.286 0.787 19 3 "[ - 1 . +*]" 1 41 GLN 17.132 0.787 19 3 "[ - 1 . +*]" 1 42 VAL 4.394 0.119 8 0 "[ . 1 . 2]" 1 43 TYR 8.478 0.104 10 0 "[ . 1 . 2]" 1 44 TYR 2.611 0.105 10 0 "[ . 1 . 2]" 1 45 ARG 7.398 0.111 18 0 "[ . 1 . 2]" 1 46 PRO 1.691 0.641 12 1 "[ . 1 + . 2]" 1 47 VAL 5.871 0.329 20 0 "[ . 1 . 2]" 1 48 SER 2.203 0.574 6 3 "[ -.+ 1* . 2]" 1 49 GLN 3.938 0.641 12 1 "[ . 1 + . 2]" 1 50 TYR 12.645 0.308 2 0 "[ . 1 . 2]" 1 51 SER 3.905 0.882 17 1 "[ . 1 . + 2]" 1 52 ASN 6.060 0.474 2 0 "[ . 1 . 2]" 1 53 GLN 9.920 0.542 3 1 "[ + . 1 . 2]" 1 54 LYS 6.858 0.841 17 1 "[ . 1 . + 2]" 1 55 ASN 8.843 0.882 17 1 "[ . 1 . + 2]" 1 56 PHE 3.331 0.111 12 0 "[ . 1 . 2]" 1 57 VAL 3.482 0.841 17 1 "[ . 1 . + 2]" 1 58 HIS 6.361 0.471 11 0 "[ . 1 . 2]" 1 59 ASP 5.457 0.721 8 3 "[* . + 1- . 2]" 1 60 CYS 8.136 0.756 8 3 "[* . + 1- . 2]" 1 61 VAL 4.547 0.128 11 0 "[ . 1 . 2]" 1 62 ASN 8.003 0.123 16 0 "[ . 1 . 2]" 1 63 ILE 6.871 0.107 4 0 "[ . 1 . 2]" 1 64 THR 6.166 0.384 19 0 "[ . 1 . 2]" 1 65 ILE 19.702 0.653 8 5 "[ * -. + 1 *.* 2]" 1 66 LYS 10.096 0.131 15 0 "[ . 1 . 2]" 1 67 GLN 6.478 0.115 18 0 "[ . 1 . 2]" 1 68 HIS 11.806 0.136 8 0 "[ . 1 . 2]" 1 69 THR 8.102 0.129 18 0 "[ . 1 . 2]" 1 70 VAL 1.607 0.100 11 0 "[ . 1 . 2]" 1 71 THR 7.601 0.147 8 0 "[ . 1 . 2]" 1 72 THR 9.590 0.134 17 0 "[ . 1 . 2]" 1 73 THR 8.586 0.151 6 0 "[ . 1 . 2]" 1 74 THR 7.250 0.131 8 0 "[ . 1 . 2]" 1 75 LYS 10.427 0.134 17 0 "[ . 1 . 2]" 1 76 GLY 7.938 0.124 17 0 "[ . 1 . 2]" 1 77 GLU 13.573 0.151 6 0 "[ . 1 . 2]" 1 78 ASN 8.794 0.388 18 0 "[ . 1 . 2]" 1 79 PHE 47.767 2.689 8 18 "[*-* ***+********* **]" 1 80 THR 2.120 0.093 7 0 "[ . 1 . 2]" 1 81 GLU 7.225 0.105 2 0 "[ . 1 . 2]" 1 82 THR 5.989 0.117 4 0 "[ . 1 . 2]" 1 83 ASP 3.567 0.111 2 0 "[ . 1 . 2]" 1 84 VAL 9.668 0.164 7 0 "[ . 1 . 2]" 1 85 LYS 9.433 0.164 7 0 "[ . 1 . 2]" 1 86 MET 11.659 0.329 4 0 "[ . 1 . 2]" 1 87 MET 16.416 0.651 4 1 "[ +. 1 . 2]" 1 88 GLU 23.720 0.653 8 8 "[ * -. +*1 *.*** 2]" 1 89 ARG 17.039 0.717 2 5 "[ + *. -1 .** 2]" 1 90 VAL 9.242 0.717 2 1 "[ + . 1 . 2]" 1 91 VAL 7.490 0.449 7 0 "[ . 1 . 2]" 1 92 GLU 2.529 0.449 7 0 "[ . 1 . 2]" 1 93 GLN 7.591 0.272 1 0 "[ . 1 . 2]" 1 94 MET 14.210 0.285 13 0 "[ . 1 . 2]" 1 95 CYS 8.997 0.756 8 2 "[ . + 1- . 2]" 1 96 VAL 2.331 0.127 3 0 "[ . 1 . 2]" 1 97 THR 16.474 0.898 13 3 "[ . * + . * 2]" 1 98 GLN 1.793 0.096 6 0 "[ . 1 . 2]" 1 99 TYR 12.434 0.767 19 4 "[ ** . 1 . - +2]" 1 100 GLN 14.355 0.890 17 3 "[ * . 1 . + *2]" 1 101 LYS 16.533 0.898 13 4 "[ . * + . * *2]" 1 102 GLU 1.610 0.111 14 0 "[ . 1 . 2]" 1 103 SER 4.895 0.489 1 0 "[ . 1 . 2]" 1 104 GLN 8.713 0.118 14 0 "[ . 1 . 2]" 1 105 ALA 4.813 0.118 14 0 "[ . 1 . 2]" 1 106 TYR 11.864 0.574 6 3 "[ -.+ 1* . 2]" 1 107 TYR 13.339 0.489 1 0 "[ . 1 . 2]" 1 108 ASP 6.508 0.287 3 0 "[ . 1 . 2]" 1 109 GLY 6.825 0.289 17 0 "[ . 1 . 2]" 1 110 ARG 6.712 0.657 8 3 "[ . + 1 .* - 2]" 1 111 ARG 20.902 0.886 7 7 "[ * . +* * * .* - 2]" 1 112 SER 5.181 0.776 10 4 "[ - . * + * . 2]" 1 113 SER 1.114 0.103 15 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 SER H1 1 2 VAL H . . 4.550 4.250 3.396 4.563 0.013 10 0 "[ . 1 . 2]" 1 2 1 1 SER H1 1 2 VAL HB . . 5.360 4.653 3.576 5.384 0.024 6 0 "[ . 1 . 2]" 1 3 1 1 SER H1 1 70 VAL QG . . 5.500 4.299 2.478 5.182 . 0 0 "[ . 1 . 2]" 1 4 1 1 SER HA 1 2 VAL H . . 2.940 2.338 2.203 2.678 . 0 0 "[ . 1 . 2]" 1 5 1 1 SER HA 1 2 VAL HB . . 5.140 4.594 4.036 5.144 0.004 5 0 "[ . 1 . 2]" 1 6 1 1 SER HA 1 70 VAL QG . . 5.500 4.376 2.684 4.947 . 0 0 "[ . 1 . 2]" 1 7 1 1 SER QB 1 2 VAL H . . 3.930 3.031 2.074 3.601 . 0 0 "[ . 1 . 2]" 1 8 1 1 SER QB 1 2 VAL HA . . 3.960 3.957 3.645 4.062 0.102 9 0 "[ . 1 . 2]" 1 9 1 1 SER QB 1 2 VAL HB . . 5.030 4.824 3.299 5.083 0.053 8 0 "[ . 1 . 2]" 1 10 1 1 SER QB 1 2 VAL MG1 . . 4.580 4.506 3.034 4.705 0.125 1 0 "[ . 1 . 2]" 1 11 1 1 SER QB 1 4 GLY H . . 4.680 4.279 3.422 4.754 0.074 7 0 "[ . 1 . 2]" 1 12 1 1 SER QB 1 70 VAL HB . . 4.850 3.864 2.165 4.934 0.084 8 0 "[ . 1 . 2]" 1 13 1 1 SER QB 1 71 THR HA . . 4.310 4.190 3.556 4.408 0.098 1 0 "[ . 1 . 2]" 1 14 1 2 VAL H 1 2 VAL HB . . 3.400 3.333 3.014 3.487 0.087 20 0 "[ . 1 . 2]" 1 15 1 2 VAL H 1 2 VAL MG1 . . 3.630 2.444 2.076 3.474 . 0 0 "[ . 1 . 2]" 1 16 1 2 VAL H 1 3 VAL HA . . 5.500 4.944 3.937 5.556 0.056 18 0 "[ . 1 . 2]" 1 17 1 2 VAL H 1 4 GLY H . . 3.710 3.382 2.611 3.794 0.084 3 0 "[ . 1 . 2]" 1 18 1 2 VAL H 1 4 GLY QA . . 5.500 3.978 2.938 5.379 . 0 0 "[ . 1 . 2]" 1 19 1 2 VAL HA 1 2 VAL MG2 . . 3.530 2.404 2.207 2.533 . 0 0 "[ . 1 . 2]" 1 20 1 2 VAL HA 1 3 VAL H . . 2.800 2.245 2.057 2.578 . 0 0 "[ . 1 . 2]" 1 21 1 2 VAL HA 1 3 VAL QG . . 5.050 3.514 2.898 4.242 . 0 0 "[ . 1 . 2]" 1 22 1 2 VAL HA 1 4 GLY H . . 4.800 4.309 3.425 4.883 0.083 8 0 "[ . 1 . 2]" 1 23 1 2 VAL HA 1 71 THR H . . 5.280 5.236 4.421 5.366 0.086 11 0 "[ . 1 . 2]" 1 24 1 2 VAL HA 1 71 THR HA . . 4.410 3.580 2.168 4.491 0.081 11 0 "[ . 1 . 2]" 1 25 1 2 VAL MG1 1 4 GLY QA . . 4.340 4.208 2.834 4.463 0.123 17 0 "[ . 1 . 2]" 1 26 1 2 VAL MG2 1 3 VAL H . . 3.890 3.255 2.065 4.009 0.119 15 0 "[ . 1 . 2]" 1 27 1 3 VAL H 1 3 VAL HB . . 3.640 3.395 2.774 3.713 0.073 11 0 "[ . 1 . 2]" 1 28 1 3 VAL H 1 3 VAL QG . . 3.530 2.342 1.932 2.774 . 0 0 "[ . 1 . 2]" 1 29 1 3 VAL H 1 4 GLY H . . 3.700 3.143 2.712 3.778 0.078 6 0 "[ . 1 . 2]" 1 30 1 3 VAL H 1 4 GLY QA . . 5.500 4.754 4.434 5.164 . 0 0 "[ . 1 . 2]" 1 31 1 3 VAL H 1 71 THR H . . 5.160 4.985 3.943 5.248 0.088 17 0 "[ . 1 . 2]" 1 32 1 3 VAL H 1 71 THR HB . . 5.500 3.760 2.763 4.626 . 0 0 "[ . 1 . 2]" 1 33 1 3 VAL H 1 71 THR MG . . 5.500 3.997 3.269 4.802 . 0 0 "[ . 1 . 2]" 1 34 1 3 VAL HA 1 4 GLY H . . 2.790 2.649 2.195 2.874 0.084 11 0 "[ . 1 . 2]" 1 35 1 3 VAL HA 1 4 GLY QA . . 4.940 4.122 3.860 4.298 . 0 0 "[ . 1 . 2]" 1 36 1 3 VAL HA 1 5 GLY H . . 4.180 4.108 3.404 4.271 0.091 4 0 "[ . 1 . 2]" 1 37 1 3 VAL HA 1 6 LEU QD . . 5.490 3.202 2.244 4.961 . 0 0 "[ . 1 . 2]" 1 38 1 3 VAL HA 1 71 THR MG . . 5.000 4.792 3.657 5.147 0.147 8 0 "[ . 1 . 2]" 1 39 1 3 VAL HB 1 4 GLY H . . 5.400 4.335 3.755 4.609 . 0 0 "[ . 1 . 2]" 1 40 1 3 VAL HB 1 4 GLY QA . . 4.800 4.854 4.322 4.921 0.121 4 0 "[ . 1 . 2]" 1 41 1 3 VAL HB 1 6 LEU QD . . 4.960 2.992 1.833 4.193 . 0 0 "[ . 1 . 2]" 1 42 1 3 VAL HB 1 6 LEU HG . . 5.500 4.432 2.229 5.583 0.083 19 0 "[ . 1 . 2]" 1 43 1 3 VAL QG 1 4 GLY H . . 4.080 3.678 3.315 3.820 . 0 0 "[ . 1 . 2]" 1 44 1 3 VAL QG 1 4 GLY QA . . 4.040 3.845 3.251 4.014 . 0 0 "[ . 1 . 2]" 1 45 1 3 VAL QG 1 5 GLY H . . 5.190 3.392 2.229 4.188 . 0 0 "[ . 1 . 2]" 1 46 1 3 VAL QG 1 5 GLY QA . . 4.620 4.110 2.349 4.630 0.010 3 0 "[ . 1 . 2]" 1 47 1 3 VAL QG 1 6 LEU H . . 5.340 4.093 2.921 5.271 . 0 0 "[ . 1 . 2]" 1 48 1 3 VAL QG 1 6 LEU HB2 . . 5.500 4.515 4.186 5.054 . 0 0 "[ . 1 . 2]" 1 49 1 3 VAL QG 1 6 LEU HB3 . . 4.980 4.486 3.312 4.984 0.004 11 0 "[ . 1 . 2]" 1 50 1 3 VAL QG 1 6 LEU QD . . 3.410 1.976 1.731 2.608 . 0 0 "[ . 1 . 2]" 1 51 1 3 VAL QG 1 6 LEU HG . . 3.680 2.605 2.154 3.720 0.040 11 0 "[ . 1 . 2]" 1 52 1 3 VAL QG 1 63 ILE MG . . 4.600 3.915 2.066 4.388 . 0 0 "[ . 1 . 2]" 1 53 1 3 VAL QG 1 67 GLN HA . . 4.890 3.870 2.071 4.849 . 0 0 "[ . 1 . 2]" 1 54 1 3 VAL QG 1 67 GLN QE . . 4.910 2.672 1.623 3.897 . 0 0 "[ . 1 . 2]" 1 55 1 3 VAL QG 1 67 GLN HG3 . . 4.340 3.231 2.130 4.259 . 0 0 "[ . 1 . 2]" 1 56 1 3 VAL QG 1 71 THR HB . . 5.070 3.510 1.860 5.046 . 0 0 "[ . 1 . 2]" 1 57 1 3 VAL QG 1 71 THR MG . . 3.530 2.917 2.180 3.596 0.066 16 0 "[ . 1 . 2]" 1 58 1 4 GLY H 1 5 GLY H . . 3.640 3.552 2.581 3.736 0.096 5 0 "[ . 1 . 2]" 1 59 1 4 GLY QA 1 6 LEU QD . . 4.310 4.041 3.329 4.323 0.013 18 0 "[ . 1 . 2]" 1 60 1 5 GLY H 1 5 GLY QA . . 2.650 2.430 2.194 2.540 . 0 0 "[ . 1 . 2]" 1 61 1 5 GLY H 1 6 LEU HG . . 5.500 3.723 2.758 5.517 0.017 11 0 "[ . 1 . 2]" 1 62 1 5 GLY QA 1 6 LEU H . . 2.930 2.273 2.033 3.010 0.080 12 0 "[ . 1 . 2]" 1 63 1 5 GLY QA 1 6 LEU HB2 . . 5.290 5.232 4.580 5.400 0.110 12 0 "[ . 1 . 2]" 1 64 1 5 GLY QA 1 6 LEU QD . . 3.990 3.060 2.250 3.947 . 0 0 "[ . 1 . 2]" 1 65 1 5 GLY QA 1 6 LEU HG . . 4.760 4.150 3.315 4.850 0.090 11 0 "[ . 1 . 2]" 1 66 1 6 LEU H 1 6 LEU HB3 . . 3.340 3.116 2.699 3.739 0.399 11 0 "[ . 1 . 2]" 1 67 1 6 LEU H 1 6 LEU QD . . 4.900 2.265 1.604 3.633 . 0 0 "[ . 1 . 2]" 1 68 1 6 LEU H 1 6 LEU HG . . 4.180 2.937 1.855 4.090 . 0 0 "[ . 1 . 2]" 1 69 1 6 LEU H 1 9 TYR H . . 5.390 5.434 5.003 5.484 0.094 6 0 "[ . 1 . 2]" 1 70 1 6 LEU HA 1 6 LEU QD . . 3.360 3.075 2.119 3.286 . 0 0 "[ . 1 . 2]" 1 71 1 6 LEU HA 1 7 GLY H . . 3.080 2.234 2.078 2.369 . 0 0 "[ . 1 . 2]" 1 72 1 6 LEU HA 1 7 GLY HA2 . . 5.380 4.485 4.280 4.603 . 0 0 "[ . 1 . 2]" 1 73 1 6 LEU HA 1 7 GLY HA3 . . 5.410 4.432 4.288 4.553 . 0 0 "[ . 1 . 2]" 1 74 1 6 LEU HA 1 8 GLY H . . 4.920 4.476 4.141 4.732 . 0 0 "[ . 1 . 2]" 1 75 1 6 LEU HA 1 9 TYR H . . 5.290 3.796 3.402 4.361 . 0 0 "[ . 1 . 2]" 1 76 1 6 LEU HA 1 9 TYR HB2 . . 5.060 3.539 2.915 3.974 . 0 0 "[ . 1 . 2]" 1 77 1 6 LEU HA 1 9 TYR HB3 . . 5.360 4.617 4.091 5.295 . 0 0 "[ . 1 . 2]" 1 78 1 6 LEU HA 1 9 TYR QD . . 3.410 3.115 2.856 3.469 0.059 12 0 "[ . 1 . 2]" 1 79 1 6 LEU HA 1 9 TYR QE . . 4.470 3.378 3.072 4.189 . 0 0 "[ . 1 . 2]" 1 80 1 6 LEU HA 1 43 TYR HB2 . . 4.940 4.954 4.346 5.029 0.089 15 0 "[ . 1 . 2]" 1 81 1 6 LEU HA 1 43 TYR HB3 . . 5.000 4.922 4.403 5.085 0.085 15 0 "[ . 1 . 2]" 1 82 1 6 LEU HB2 1 7 GLY H . . 4.250 3.928 3.572 4.286 0.036 8 0 "[ . 1 . 2]" 1 83 1 6 LEU HB2 1 7 GLY HA2 . . 5.500 5.019 4.767 5.532 0.032 6 0 "[ . 1 . 2]" 1 84 1 6 LEU HB2 1 8 GLY H . . 5.500 3.605 3.040 4.342 . 0 0 "[ . 1 . 2]" 1 85 1 6 LEU HB2 1 9 TYR H . . 4.980 2.502 2.020 3.090 . 0 0 "[ . 1 . 2]" 1 86 1 6 LEU HB2 1 9 TYR HA . . 5.430 4.688 4.264 5.604 0.174 11 0 "[ . 1 . 2]" 1 87 1 6 LEU HB2 1 9 TYR HB2 . . 4.150 2.304 2.084 3.392 . 0 0 "[ . 1 . 2]" 1 88 1 6 LEU HB2 1 9 TYR HB3 . . 5.320 3.972 3.649 5.098 . 0 0 "[ . 1 . 2]" 1 89 1 6 LEU HB3 1 7 GLY H . . 4.660 4.107 3.012 4.496 . 0 0 "[ . 1 . 2]" 1 90 1 6 LEU HB3 1 8 GLY H . . 5.500 5.051 3.895 5.583 0.083 6 0 "[ . 1 . 2]" 1 91 1 6 LEU HB3 1 9 TYR H . . 5.280 3.722 2.847 4.552 . 0 0 "[ . 1 . 2]" 1 92 1 6 LEU HB3 1 9 TYR HB2 . . 4.650 2.434 2.009 3.416 . 0 0 "[ . 1 . 2]" 1 93 1 6 LEU HB3 1 9 TYR QD . . 5.410 2.837 2.468 3.395 . 0 0 "[ . 1 . 2]" 1 94 1 6 LEU HB3 1 43 TYR HB2 . . 5.290 3.452 3.211 3.865 . 0 0 "[ . 1 . 2]" 1 95 1 6 LEU HB3 1 43 TYR HB3 . . 5.330 3.216 2.747 4.157 . 0 0 "[ . 1 . 2]" 1 96 1 6 LEU QD 1 7 GLY H . . 5.470 4.416 3.945 4.665 . 0 0 "[ . 1 . 2]" 1 97 1 6 LEU QD 1 9 TYR HB2 . . 4.420 2.972 2.388 3.747 . 0 0 "[ . 1 . 2]" 1 98 1 6 LEU QD 1 9 TYR HB3 . . 5.500 4.102 3.570 4.546 . 0 0 "[ . 1 . 2]" 1 99 1 6 LEU QD 1 9 TYR QD . . 4.210 3.621 3.219 3.924 . 0 0 "[ . 1 . 2]" 1 100 1 6 LEU QD 1 43 TYR HB3 . . 4.580 2.963 2.318 3.540 . 0 0 "[ . 1 . 2]" 1 101 1 6 LEU QD 1 43 TYR QD . . 4.900 3.016 2.424 3.460 . 0 0 "[ . 1 . 2]" 1 102 1 6 LEU QD 1 67 GLN QE . . 5.500 3.191 1.729 4.271 . 0 0 "[ . 1 . 2]" 1 103 1 6 LEU QD 1 67 GLN HG2 . . 5.410 3.313 2.464 4.220 . 0 0 "[ . 1 . 2]" 1 104 1 6 LEU QD 1 67 GLN HG3 . . 5.470 3.060 2.191 3.854 . 0 0 "[ . 1 . 2]" 1 105 1 6 LEU HG 1 7 GLY H . . 5.500 5.182 4.896 5.555 0.055 12 0 "[ . 1 . 2]" 1 106 1 6 LEU HG 1 8 GLY H . . 5.500 4.974 4.150 5.587 0.087 6 0 "[ . 1 . 2]" 1 107 1 7 GLY H 1 7 GLY HA2 . . 2.900 2.874 2.751 2.933 0.033 10 0 "[ . 1 . 2]" 1 108 1 7 GLY H 1 9 TYR H . . 5.500 3.830 3.239 4.203 . 0 0 "[ . 1 . 2]" 1 109 1 7 GLY H 1 9 TYR HA . . 5.500 5.387 4.793 5.577 0.077 6 0 "[ . 1 . 2]" 1 110 1 7 GLY H 1 9 TYR QD . . 3.660 2.979 2.479 3.373 . 0 0 "[ . 1 . 2]" 1 111 1 7 GLY H 1 9 TYR QE . . 4.390 2.634 2.133 3.301 . 0 0 "[ . 1 . 2]" 1 112 1 7 GLY HA2 1 8 GLY H . . 3.460 2.608 2.439 3.021 . 0 0 "[ . 1 . 2]" 1 113 1 7 GLY HA2 1 45 ARG QD . . 4.930 4.718 4.052 4.878 . 0 0 "[ . 1 . 2]" 1 114 1 7 GLY HA3 1 9 TYR H . . 4.860 4.620 3.987 4.937 0.077 1 0 "[ . 1 . 2]" 1 115 1 7 GLY HA3 1 9 TYR QD . . 4.170 3.726 3.085 4.245 0.075 3 0 "[ . 1 . 2]" 1 116 1 7 GLY HA3 1 9 TYR QE . . 4.750 3.272 2.494 4.157 . 0 0 "[ . 1 . 2]" 1 117 1 7 GLY HA3 1 45 ARG QD . . 5.240 3.556 2.534 4.169 . 0 0 "[ . 1 . 2]" 1 118 1 8 GLY H 1 8 GLY HA3 . . 2.860 2.909 2.844 2.943 0.083 3 0 "[ . 1 . 2]" 1 119 1 8 GLY H 1 9 TYR H . . 3.380 2.481 2.147 2.785 . 0 0 "[ . 1 . 2]" 1 120 1 8 GLY H 1 9 TYR HA . . 5.500 5.071 4.748 5.302 . 0 0 "[ . 1 . 2]" 1 121 1 8 GLY H 1 9 TYR QD . . 4.340 3.933 3.093 4.373 0.033 18 0 "[ . 1 . 2]" 1 122 1 8 GLY H 1 45 ARG QD . . 5.500 4.747 3.883 5.388 . 0 0 "[ . 1 . 2]" 1 123 1 8 GLY HA2 1 9 TYR HA . . 5.370 4.726 4.559 4.839 . 0 0 "[ . 1 . 2]" 1 124 1 8 GLY HA2 1 9 TYR HB2 . . 5.500 5.240 4.783 5.560 0.060 3 0 "[ . 1 . 2]" 1 125 1 8 GLY HA2 1 9 TYR QD . . 5.140 4.683 4.305 4.945 . 0 0 "[ . 1 . 2]" 1 126 1 8 GLY HA3 1 9 TYR H . . 3.580 3.565 3.472 3.645 0.065 19 0 "[ . 1 . 2]" 1 127 1 8 GLY HA3 1 9 TYR HA . . 5.120 4.650 4.426 4.787 . 0 0 "[ . 1 . 2]" 1 128 1 8 GLY HA3 1 45 ARG QD . . 4.760 3.972 2.614 4.699 . 0 0 "[ . 1 . 2]" 1 129 1 8 GLY HA3 1 45 ARG HE . . 5.390 4.451 3.130 5.466 0.076 3 0 "[ . 1 . 2]" 1 130 1 9 TYR H 1 9 TYR HB2 . . 3.290 2.478 2.135 2.714 . 0 0 "[ . 1 . 2]" 1 131 1 9 TYR H 1 9 TYR HB3 . . 4.040 3.597 3.394 3.762 . 0 0 "[ . 1 . 2]" 1 132 1 9 TYR H 1 9 TYR QD . . 2.970 2.604 2.229 2.915 . 0 0 "[ . 1 . 2]" 1 133 1 9 TYR H 1 9 TYR QE . . 5.140 4.630 4.339 4.869 . 0 0 "[ . 1 . 2]" 1 134 1 9 TYR H 1 10 MET H . . 4.840 4.560 4.467 4.647 . 0 0 "[ . 1 . 2]" 1 135 1 9 TYR H 1 45 ARG HA . . 5.500 5.551 5.403 5.584 0.084 16 0 "[ . 1 . 2]" 1 136 1 9 TYR H 1 45 ARG HG2 . . 5.500 4.600 3.997 5.555 0.055 11 0 "[ . 1 . 2]" 1 137 1 9 TYR H 1 63 ILE MG . . 5.500 5.469 5.231 5.589 0.089 11 0 "[ . 1 . 2]" 1 138 1 9 TYR HA 1 9 TYR QD . . 3.170 2.579 2.244 2.760 . 0 0 "[ . 1 . 2]" 1 139 1 9 TYR HA 1 9 TYR QE . . 4.630 4.651 4.467 4.731 0.101 7 0 "[ . 1 . 2]" 1 140 1 9 TYR HA 1 10 MET H . . 3.170 2.475 2.231 2.724 . 0 0 "[ . 1 . 2]" 1 141 1 9 TYR HA 1 10 MET QB . . 5.500 3.727 3.274 4.235 . 0 0 "[ . 1 . 2]" 1 142 1 9 TYR HA 1 10 MET HG2 . . 5.360 4.587 3.878 5.057 . 0 0 "[ . 1 . 2]" 1 143 1 9 TYR HA 1 45 ARG HA . . 4.220 2.817 2.642 3.008 . 0 0 "[ . 1 . 2]" 1 144 1 9 TYR HA 1 45 ARG HB2 . . 5.490 4.631 3.914 5.079 . 0 0 "[ . 1 . 2]" 1 145 1 9 TYR HA 1 45 ARG HG2 . . 4.540 2.778 2.182 3.953 . 0 0 "[ . 1 . 2]" 1 146 1 9 TYR HA 1 45 ARG HG3 . . 4.450 3.481 2.131 4.386 . 0 0 "[ . 1 . 2]" 1 147 1 9 TYR HA 1 46 PRO QD . . 5.220 4.183 3.813 4.518 . 0 0 "[ . 1 . 2]" 1 148 1 9 TYR HB2 1 10 MET H . . 4.460 3.455 3.200 3.856 . 0 0 "[ . 1 . 2]" 1 149 1 9 TYR HB2 1 43 TYR HB2 . . 5.230 3.575 3.247 3.947 . 0 0 "[ . 1 . 2]" 1 150 1 9 TYR HB2 1 43 TYR HB3 . . 3.630 2.366 2.119 2.638 . 0 0 "[ . 1 . 2]" 1 151 1 9 TYR HB2 1 63 ILE QG . . 5.500 5.528 5.077 5.590 0.090 11 0 "[ . 1 . 2]" 1 152 1 9 TYR HB2 1 63 ILE MG . . 5.500 4.099 3.768 4.409 . 0 0 "[ . 1 . 2]" 1 153 1 9 TYR HB3 1 10 MET H . . 3.970 2.276 2.028 2.717 . 0 0 "[ . 1 . 2]" 1 154 1 9 TYR HB3 1 63 ILE MG . . 5.490 4.672 4.175 5.088 . 0 0 "[ . 1 . 2]" 1 155 1 9 TYR QD 1 10 MET H . . 4.720 4.254 4.123 4.494 . 0 0 "[ . 1 . 2]" 1 156 1 9 TYR QD 1 43 TYR HA . . 4.480 4.198 3.957 4.531 0.051 18 0 "[ . 1 . 2]" 1 157 1 9 TYR QD 1 43 TYR HB2 . . 3.370 2.313 2.057 2.542 . 0 0 "[ . 1 . 2]" 1 158 1 9 TYR QD 1 44 TYR H . . 4.590 4.247 3.861 4.640 0.050 6 0 "[ . 1 . 2]" 1 159 1 9 TYR QD 1 45 ARG HA . . 4.160 4.189 3.836 4.265 0.105 8 0 "[ . 1 . 2]" 1 160 1 9 TYR QD 1 45 ARG QD . . 2.760 2.351 1.993 2.702 . 0 0 "[ . 1 . 2]" 1 161 1 9 TYR QD 1 45 ARG HG2 . . 3.970 2.732 2.072 3.802 . 0 0 "[ . 1 . 2]" 1 162 1 9 TYR QD 1 45 ARG HG3 . . 3.670 2.653 2.031 3.506 . 0 0 "[ . 1 . 2]" 1 163 1 9 TYR QD 1 63 ILE HB . . 3.850 3.499 3.246 3.786 . 0 0 "[ . 1 . 2]" 1 164 1 9 TYR QD 1 63 ILE MD . . 5.170 4.990 4.446 5.247 0.077 1 0 "[ . 1 . 2]" 1 165 1 9 TYR QD 1 63 ILE QG . . 5.500 3.718 3.302 3.955 . 0 0 "[ . 1 . 2]" 1 166 1 9 TYR QD 1 63 ILE MG . . 3.320 2.763 2.214 3.127 . 0 0 "[ . 1 . 2]" 1 167 1 9 TYR QE 1 43 TYR HB2 . . 4.420 4.231 3.925 4.499 0.079 6 0 "[ . 1 . 2]" 1 168 1 9 TYR QE 1 45 ARG HA . . 5.500 5.453 5.228 5.583 0.083 7 0 "[ . 1 . 2]" 1 169 1 9 TYR QE 1 45 ARG HB2 . . 5.210 4.249 3.209 5.247 0.037 5 0 "[ . 1 . 2]" 1 170 1 9 TYR QE 1 45 ARG QD . . 3.170 2.626 2.173 3.200 0.030 19 0 "[ . 1 . 2]" 1 171 1 9 TYR QE 1 45 ARG HG3 . . 3.630 2.903 2.306 3.713 0.083 16 0 "[ . 1 . 2]" 1 172 1 9 TYR QE 1 59 ASP QB . . 5.060 3.668 2.825 4.229 . 0 0 "[ . 1 . 2]" 1 173 1 9 TYR QE 1 60 CYS HA . . 4.500 2.540 2.071 3.463 . 0 0 "[ . 1 . 2]" 1 174 1 9 TYR QE 1 60 CYS HB2 . . 5.050 4.249 3.755 5.092 0.042 11 0 "[ . 1 . 2]" 1 175 1 9 TYR QE 1 63 ILE H . . 4.790 4.207 3.906 4.690 . 0 0 "[ . 1 . 2]" 1 176 1 9 TYR QE 1 63 ILE HA . . 5.450 5.237 4.995 5.513 0.063 20 0 "[ . 1 . 2]" 1 177 1 9 TYR QE 1 63 ILE HB . . 3.570 2.563 2.210 2.932 . 0 0 "[ . 1 . 2]" 1 178 1 9 TYR QE 1 63 ILE MD . . 4.970 4.034 3.724 4.230 . 0 0 "[ . 1 . 2]" 1 179 1 9 TYR QE 1 63 ILE QG . . 3.430 2.383 2.010 2.592 . 0 0 "[ . 1 . 2]" 1 180 1 9 TYR QE 1 63 ILE MG . . 3.330 3.040 2.525 3.398 0.068 10 0 "[ . 1 . 2]" 1 181 1 10 MET H 1 10 MET QB . . 3.830 2.566 2.074 3.057 . 0 0 "[ . 1 . 2]" 1 182 1 10 MET H 1 10 MET ME . . 4.870 4.589 4.331 4.742 . 0 0 "[ . 1 . 2]" 1 183 1 10 MET H 1 10 MET HG2 . . 4.130 3.629 2.430 4.204 0.074 20 0 "[ . 1 . 2]" 1 184 1 10 MET H 1 11 LEU H . . 5.430 4.399 4.307 4.470 . 0 0 "[ . 1 . 2]" 1 185 1 10 MET H 1 43 TYR HA . . 5.160 3.579 3.256 4.092 . 0 0 "[ . 1 . 2]" 1 186 1 10 MET H 1 43 TYR QD . . 4.750 4.519 4.153 4.845 0.095 13 0 "[ . 1 . 2]" 1 187 1 10 MET H 1 44 TYR H . . 3.860 2.391 2.178 2.795 . 0 0 "[ . 1 . 2]" 1 188 1 10 MET H 1 44 TYR QD . . 4.810 4.074 3.851 4.250 . 0 0 "[ . 1 . 2]" 1 189 1 10 MET H 1 45 ARG HA . . 4.700 3.738 3.378 3.934 . 0 0 "[ . 1 . 2]" 1 190 1 10 MET HA 1 10 MET HG3 . . 3.930 3.641 3.507 3.765 . 0 0 "[ . 1 . 2]" 1 191 1 10 MET HA 1 11 LEU H . . 2.980 2.372 2.252 2.516 . 0 0 "[ . 1 . 2]" 1 192 1 10 MET HA 1 43 TYR QD . . 5.160 4.266 3.283 4.728 . 0 0 "[ . 1 . 2]" 1 193 1 10 MET QB 1 10 MET ME . . 4.390 2.188 2.099 2.329 . 0 0 "[ . 1 . 2]" 1 194 1 10 MET QB 1 11 LEU H . . 4.060 3.126 2.293 3.631 . 0 0 "[ . 1 . 2]" 1 195 1 10 MET QB 1 44 TYR H . . 5.130 3.869 3.374 4.667 . 0 0 "[ . 1 . 2]" 1 196 1 10 MET QB 1 44 TYR QE . . 4.420 3.413 2.607 4.283 . 0 0 "[ . 1 . 2]" 1 197 1 10 MET QB 1 45 ARG HA . . 5.500 3.863 3.097 5.194 . 0 0 "[ . 1 . 2]" 1 198 1 10 MET ME 1 10 MET HG2 . . 3.880 3.408 2.848 3.513 . 0 0 "[ . 1 . 2]" 1 199 1 10 MET ME 1 11 LEU H . . 5.500 2.782 1.983 3.864 . 0 0 "[ . 1 . 2]" 1 200 1 10 MET ME 1 11 LEU HA . . 5.290 3.909 3.655 4.249 . 0 0 "[ . 1 . 2]" 1 201 1 10 MET ME 1 11 LEU MD2 . . 5.500 5.321 5.000 5.441 . 0 0 "[ . 1 . 2]" 1 202 1 10 MET ME 1 11 LEU HG . . 4.980 5.057 4.881 5.086 0.106 16 0 "[ . 1 . 2]" 1 203 1 10 MET ME 1 12 GLY HA3 . . 5.500 4.136 3.269 4.690 . 0 0 "[ . 1 . 2]" 1 204 1 10 MET ME 1 13 SER QB . . 4.570 4.144 4.006 4.425 . 0 0 "[ . 1 . 2]" 1 205 1 10 MET ME 1 44 TYR QE . . 3.970 2.564 2.033 3.680 . 0 0 "[ . 1 . 2]" 1 206 1 10 MET HG2 1 11 LEU H . . 5.500 4.495 3.915 5.056 . 0 0 "[ . 1 . 2]" 1 207 1 10 MET HG2 1 45 ARG HA . . 5.230 4.683 3.396 5.296 0.066 5 0 "[ . 1 . 2]" 1 208 1 10 MET HG3 1 45 ARG HA . . 5.050 4.956 4.449 5.136 0.086 12 0 "[ . 1 . 2]" 1 209 1 11 LEU H 1 11 LEU HB2 . . 3.170 2.684 2.391 2.887 . 0 0 "[ . 1 . 2]" 1 210 1 11 LEU H 1 11 LEU HB3 . . 3.490 2.697 2.601 2.781 . 0 0 "[ . 1 . 2]" 1 211 1 11 LEU H 1 11 LEU MD1 . . 5.100 4.063 3.823 4.179 . 0 0 "[ . 1 . 2]" 1 212 1 11 LEU H 1 11 LEU MD2 . . 5.060 4.469 4.293 4.602 . 0 0 "[ . 1 . 2]" 1 213 1 11 LEU H 1 11 LEU HG . . 5.020 4.535 4.458 4.620 . 0 0 "[ . 1 . 2]" 1 214 1 11 LEU H 1 12 GLY H . . 5.350 4.409 4.255 4.619 . 0 0 "[ . 1 . 2]" 1 215 1 11 LEU H 1 43 TYR HA . . 5.500 4.602 4.333 4.889 . 0 0 "[ . 1 . 2]" 1 216 1 11 LEU H 1 43 TYR QD . . 4.390 3.943 3.042 4.465 0.075 20 0 "[ . 1 . 2]" 1 217 1 11 LEU H 1 43 TYR QE . . 5.500 4.951 3.759 5.543 0.043 1 0 "[ . 1 . 2]" 1 218 1 11 LEU H 1 44 TYR QE . . 5.400 4.678 4.232 5.242 . 0 0 "[ . 1 . 2]" 1 219 1 11 LEU HA 1 11 LEU MD1 . . 3.590 2.054 2.011 2.133 . 0 0 "[ . 1 . 2]" 1 220 1 11 LEU HA 1 11 LEU MD2 . . 4.580 3.812 3.786 3.855 . 0 0 "[ . 1 . 2]" 1 221 1 11 LEU HA 1 12 GLY H . . 3.370 2.159 2.072 2.265 . 0 0 "[ . 1 . 2]" 1 222 1 11 LEU HA 1 12 GLY HA3 . . 5.500 4.391 4.303 4.499 . 0 0 "[ . 1 . 2]" 1 223 1 11 LEU HA 1 42 VAL H . . 5.040 4.127 3.968 4.332 . 0 0 "[ . 1 . 2]" 1 224 1 11 LEU HA 1 43 TYR HA . . 3.730 2.793 2.456 3.088 . 0 0 "[ . 1 . 2]" 1 225 1 11 LEU HA 1 43 TYR HB3 . . 5.400 4.824 4.297 5.163 . 0 0 "[ . 1 . 2]" 1 226 1 11 LEU HA 1 43 TYR QD . . 3.890 3.304 2.851 3.665 . 0 0 "[ . 1 . 2]" 1 227 1 11 LEU HA 1 44 TYR H . . 4.350 3.821 3.444 4.058 . 0 0 "[ . 1 . 2]" 1 228 1 11 LEU HA 1 44 TYR QD . . 3.960 3.565 3.208 3.991 0.031 11 0 "[ . 1 . 2]" 1 229 1 11 LEU HB2 1 11 LEU MD2 . . 3.570 2.422 2.282 2.528 . 0 0 "[ . 1 . 2]" 1 230 1 11 LEU HB2 1 12 GLY H . . 5.450 4.450 4.317 4.599 . 0 0 "[ . 1 . 2]" 1 231 1 11 LEU HB2 1 13 SER HA . . 5.290 5.415 5.339 6.199 0.909 16 1 "[ . 1 .+ 2]" 1 232 1 11 LEU HB2 1 43 TYR HA . . 5.300 4.290 4.084 4.517 . 0 0 "[ . 1 . 2]" 1 233 1 11 LEU HB2 1 43 TYR QE . . 3.760 2.698 2.144 3.035 . 0 0 "[ . 1 . 2]" 1 234 1 11 LEU HB3 1 11 LEU MD2 . . 3.450 2.382 2.342 2.444 . 0 0 "[ . 1 . 2]" 1 235 1 11 LEU HB3 1 12 GLY H . . 5.400 4.190 3.801 4.291 . 0 0 "[ . 1 . 2]" 1 236 1 11 LEU HB3 1 43 TYR HA . . 5.500 5.468 5.219 5.569 0.069 11 0 "[ . 1 . 2]" 1 237 1 11 LEU HB3 1 43 TYR QD . . 4.450 4.476 4.256 4.536 0.086 10 0 "[ . 1 . 2]" 1 238 1 11 LEU HB3 1 43 TYR QE . . 5.080 4.254 3.820 4.520 . 0 0 "[ . 1 . 2]" 1 239 1 11 LEU MD1 1 12 GLY H . . 4.100 3.007 2.701 3.275 . 0 0 "[ . 1 . 2]" 1 240 1 11 LEU MD1 1 12 GLY HA3 . . 5.500 4.740 4.401 5.011 . 0 0 "[ . 1 . 2]" 1 241 1 11 LEU MD1 1 41 GLN H . . 5.500 4.700 4.275 4.861 . 0 0 "[ . 1 . 2]" 1 242 1 11 LEU MD1 1 41 GLN HA . . 5.490 3.624 3.117 3.921 . 0 0 "[ . 1 . 2]" 1 243 1 11 LEU MD1 1 41 GLN HB2 . . 4.600 3.372 2.310 3.630 . 0 0 "[ . 1 . 2]" 1 244 1 11 LEU MD1 1 41 GLN HB3 . . 4.810 2.034 1.915 2.132 . 0 0 "[ . 1 . 2]" 1 245 1 11 LEU MD1 1 41 GLN HE21 . . 4.870 4.183 3.084 4.968 0.098 18 0 "[ . 1 . 2]" 1 246 1 11 LEU MD1 1 41 GLN HE22 . . 5.440 4.705 4.423 5.161 . 0 0 "[ . 1 . 2]" 1 247 1 11 LEU MD1 1 42 VAL H . . 5.220 2.274 1.901 2.553 . 0 0 "[ . 1 . 2]" 1 248 1 11 LEU MD1 1 43 TYR H . . 5.500 3.671 3.411 3.869 . 0 0 "[ . 1 . 2]" 1 249 1 11 LEU MD1 1 43 TYR HA . . 4.790 2.848 2.496 3.091 . 0 0 "[ . 1 . 2]" 1 250 1 11 LEU MD1 1 43 TYR QD . . 4.160 2.519 2.205 2.776 . 0 0 "[ . 1 . 2]" 1 251 1 11 LEU MD1 1 43 TYR QE . . 3.270 2.586 2.395 2.846 . 0 0 "[ . 1 . 2]" 1 252 1 11 LEU MD1 1 44 TYR H . . 5.500 4.537 4.233 4.779 . 0 0 "[ . 1 . 2]" 1 253 1 11 LEU MD1 1 44 TYR QD . . 5.110 4.444 4.056 4.912 . 0 0 "[ . 1 . 2]" 1 254 1 11 LEU MD2 1 12 GLY H . . 5.470 4.605 4.089 4.904 . 0 0 "[ . 1 . 2]" 1 255 1 11 LEU MD2 1 41 GLN HB3 . . 5.170 2.643 2.395 2.995 . 0 0 "[ . 1 . 2]" 1 256 1 11 LEU MD2 1 41 GLN HE21 . . 5.500 4.784 4.078 5.537 0.037 10 0 "[ . 1 . 2]" 1 257 1 11 LEU MD2 1 41 GLN HG3 . . 5.500 2.441 2.190 2.979 . 0 0 "[ . 1 . 2]" 1 258 1 11 LEU MD2 1 42 VAL H . . 5.500 4.495 4.136 4.969 . 0 0 "[ . 1 . 2]" 1 259 1 11 LEU MD2 1 42 VAL HA . . 5.380 5.486 5.459 5.499 0.119 8 0 "[ . 1 . 2]" 1 260 1 11 LEU MD2 1 43 TYR QD . . 4.360 4.079 3.741 4.453 0.093 16 0 "[ . 1 . 2]" 1 261 1 11 LEU MD2 1 43 TYR QE . . 3.410 2.674 2.309 3.257 . 0 0 "[ . 1 . 2]" 1 262 1 11 LEU HG 1 12 GLY H . . 5.500 3.118 2.398 3.533 . 0 0 "[ . 1 . 2]" 1 263 1 11 LEU HG 1 12 GLY HA2 . . 5.500 4.897 4.660 5.330 . 0 0 "[ . 1 . 2]" 1 264 1 11 LEU HG 1 12 GLY HA3 . . 4.960 4.632 4.021 5.005 0.045 3 0 "[ . 1 . 2]" 1 265 1 11 LEU HG 1 41 GLN HB2 . . 5.130 4.452 3.560 5.024 . 0 0 "[ . 1 . 2]" 1 266 1 11 LEU HG 1 41 GLN HB3 . . 5.500 3.275 2.578 3.930 . 0 0 "[ . 1 . 2]" 1 267 1 11 LEU HG 1 41 GLN HE21 . . 4.780 4.164 3.286 4.840 0.060 12 0 "[ . 1 . 2]" 1 268 1 11 LEU HG 1 41 GLN HE22 . . 4.630 4.665 4.365 4.863 0.233 9 0 "[ . 1 . 2]" 1 269 1 11 LEU HG 1 43 TYR QE . . 4.650 4.710 4.574 4.748 0.098 16 0 "[ . 1 . 2]" 1 270 1 12 GLY H 1 13 SER H . . 4.830 2.704 2.495 3.101 . 0 0 "[ . 1 . 2]" 1 271 1 12 GLY H 1 13 SER HA . . 5.120 4.827 4.683 4.994 . 0 0 "[ . 1 . 2]" 1 272 1 12 GLY H 1 15 MET ME . . 5.500 5.152 4.739 5.573 0.073 16 0 "[ . 1 . 2]" 1 273 1 12 GLY H 1 41 GLN HE21 . . 5.500 4.490 3.247 5.696 0.196 3 0 "[ . 1 . 2]" 1 274 1 12 GLY H 1 41 GLN HG3 . . 5.500 4.634 3.880 5.442 . 0 0 "[ . 1 . 2]" 1 275 1 12 GLY H 1 42 VAL H . . 4.750 3.498 3.007 3.938 . 0 0 "[ . 1 . 2]" 1 276 1 12 GLY H 1 42 VAL QG . . 5.500 3.555 3.130 4.031 . 0 0 "[ . 1 . 2]" 1 277 1 12 GLY H 1 43 TYR HA . . 4.700 4.149 3.658 4.641 . 0 0 "[ . 1 . 2]" 1 278 1 12 GLY H 1 44 TYR QD . . 4.030 2.995 2.452 3.570 . 0 0 "[ . 1 . 2]" 1 279 1 12 GLY H 1 44 TYR QE . . 3.450 2.756 1.828 3.521 0.071 18 0 "[ . 1 . 2]" 1 280 1 12 GLY HA2 1 44 TYR QE . . 3.180 2.369 2.029 3.195 0.015 11 0 "[ . 1 . 2]" 1 281 1 12 GLY HA2 1 98 GLN QE . . 5.400 3.969 3.363 4.680 . 0 0 "[ . 1 . 2]" 1 282 1 12 GLY HA3 1 13 SER H . . 3.580 3.068 2.228 3.240 . 0 0 "[ . 1 . 2]" 1 283 1 12 GLY HA3 1 42 VAL H . . 5.120 4.674 4.139 5.184 0.064 1 0 "[ . 1 . 2]" 1 284 1 12 GLY HA3 1 42 VAL QG . . 5.490 4.004 3.201 4.735 . 0 0 "[ . 1 . 2]" 1 285 1 12 GLY HA3 1 44 TYR QD . . 4.990 3.950 3.273 4.552 . 0 0 "[ . 1 . 2]" 1 286 1 12 GLY HA3 1 44 TYR QE . . 3.300 2.839 2.316 3.230 . 0 0 "[ . 1 . 2]" 1 287 1 12 GLY HA3 1 98 GLN QE . . 5.250 3.886 2.894 4.406 . 0 0 "[ . 1 . 2]" 1 288 1 13 SER H 1 13 SER QB . . 3.470 2.936 2.734 3.122 . 0 0 "[ . 1 . 2]" 1 289 1 13 SER H 1 14 ALA H . . 4.990 4.241 3.521 4.550 . 0 0 "[ . 1 . 2]" 1 290 1 13 SER H 1 15 MET ME . . 5.500 5.505 5.159 5.601 0.101 20 0 "[ . 1 . 2]" 1 291 1 13 SER H 1 41 GLN HG2 . . 5.500 4.243 3.778 5.163 . 0 0 "[ . 1 . 2]" 1 292 1 13 SER H 1 42 VAL H . . 5.150 4.364 4.082 4.720 . 0 0 "[ . 1 . 2]" 1 293 1 13 SER H 1 44 TYR QE . . 5.100 4.656 4.256 5.018 . 0 0 "[ . 1 . 2]" 1 294 1 13 SER HA 1 14 ALA H . . 2.720 2.361 1.920 2.672 . 0 0 "[ . 1 . 2]" 1 295 1 13 SER HA 1 14 ALA MB . . 4.430 4.123 3.838 4.318 . 0 0 "[ . 1 . 2]" 1 296 1 13 SER HA 1 41 GLN HE21 . . 4.340 3.926 3.328 4.434 0.094 3 0 "[ . 1 . 2]" 1 297 1 13 SER HA 1 41 GLN HE22 . . 4.790 4.232 3.794 4.594 . 0 0 "[ . 1 . 2]" 1 298 1 13 SER HA 1 41 GLN HG3 . . 5.010 2.809 2.359 3.783 . 0 0 "[ . 1 . 2]" 1 299 1 13 SER QB 1 14 ALA H . . 3.590 3.073 2.544 3.466 . 0 0 "[ . 1 . 2]" 1 300 1 13 SER QB 1 14 ALA MB . . 5.140 4.364 4.075 4.614 . 0 0 "[ . 1 . 2]" 1 301 1 13 SER QB 1 41 GLN HE21 . . 5.500 4.964 4.656 5.668 0.168 3 0 "[ . 1 . 2]" 1 302 1 14 ALA H 1 14 ALA MB . . 2.990 2.230 2.176 2.361 . 0 0 "[ . 1 . 2]" 1 303 1 14 ALA H 1 41 GLN HE21 . . 5.080 4.343 3.821 5.153 0.073 13 0 "[ . 1 . 2]" 1 304 1 14 ALA H 1 41 GLN HE22 . . 5.090 4.659 3.600 5.173 0.083 12 0 "[ . 1 . 2]" 1 305 1 14 ALA HA 1 15 MET H . . 2.900 2.165 2.101 2.247 . 0 0 "[ . 1 . 2]" 1 306 1 14 ALA HA 1 15 MET HA . . 5.100 4.428 4.322 4.488 . 0 0 "[ . 1 . 2]" 1 307 1 14 ALA HA 1 15 MET HG2 . . 5.080 4.330 3.825 4.592 . 0 0 "[ . 1 . 2]" 1 308 1 14 ALA HA 1 15 MET HG3 . . 5.500 4.958 4.332 5.539 0.039 16 0 "[ . 1 . 2]" 1 309 1 14 ALA HA 1 40 ASN H . . 5.450 5.508 5.381 5.546 0.096 8 0 "[ . 1 . 2]" 1 310 1 14 ALA HA 1 40 ASN QB . . 5.140 4.284 3.557 4.806 . 0 0 "[ . 1 . 2]" 1 311 1 14 ALA HA 1 40 ASN HD22 . . 5.500 2.975 1.921 4.396 . 0 0 "[ . 1 . 2]" 1 312 1 14 ALA HA 1 41 GLN HE21 . . 4.260 3.343 2.164 4.502 0.242 20 0 "[ . 1 . 2]" 1 313 1 14 ALA HA 1 41 GLN HE22 . . 4.430 3.720 2.125 4.507 0.077 7 0 "[ . 1 . 2]" 1 314 1 14 ALA HA 1 41 GLN HG2 . . 3.800 2.745 1.968 3.897 0.097 11 0 "[ . 1 . 2]" 1 315 1 14 ALA HA 1 41 GLN HG3 . . 5.380 3.718 2.735 4.656 . 0 0 "[ . 1 . 2]" 1 316 1 14 ALA MB 1 15 MET H . . 3.870 3.304 3.175 3.464 . 0 0 "[ . 1 . 2]" 1 317 1 14 ALA MB 1 15 MET HA . . 5.470 4.306 4.071 4.483 . 0 0 "[ . 1 . 2]" 1 318 1 14 ALA MB 1 15 MET HG2 . . 5.500 5.450 5.047 5.602 0.102 17 0 "[ . 1 . 2]" 1 319 1 14 ALA MB 1 40 ASN H . . 5.500 5.459 4.971 5.614 0.114 16 0 "[ . 1 . 2]" 1 320 1 14 ALA MB 1 40 ASN QB . . 5.500 4.282 3.075 4.898 . 0 0 "[ . 1 . 2]" 1 321 1 14 ALA MB 1 40 ASN HD21 . . 4.390 3.197 2.216 3.898 . 0 0 "[ . 1 . 2]" 1 322 1 14 ALA MB 1 40 ASN HD22 . . 4.070 2.557 1.838 4.492 0.422 19 0 "[ . 1 . 2]" 1 323 1 14 ALA MB 1 41 GLN HE21 . . 5.500 4.697 3.849 5.604 0.104 20 0 "[ . 1 . 2]" 1 324 1 14 ALA MB 1 41 GLN HE22 . . 5.500 5.008 3.817 5.610 0.110 7 0 "[ . 1 . 2]" 1 325 1 14 ALA MB 1 41 GLN HG3 . . 5.010 4.344 3.597 5.105 0.095 16 0 "[ . 1 . 2]" 1 326 1 15 MET H 1 15 MET HB2 . . 3.760 3.813 3.712 3.905 0.145 9 0 "[ . 1 . 2]" 1 327 1 15 MET H 1 15 MET ME . . 5.040 4.790 4.638 4.946 . 0 0 "[ . 1 . 2]" 1 328 1 15 MET H 1 15 MET HG2 . . 4.180 2.795 1.935 3.136 . 0 0 "[ . 1 . 2]" 1 329 1 15 MET H 1 15 MET HG3 . . 4.000 2.945 2.395 3.453 . 0 0 "[ . 1 . 2]" 1 330 1 15 MET H 1 16 SER H . . 4.670 4.274 4.120 4.374 . 0 0 "[ . 1 . 2]" 1 331 1 15 MET H 1 16 SER HA . . 5.500 5.546 5.460 5.579 0.079 13 0 "[ . 1 . 2]" 1 332 1 15 MET H 1 40 ASN QB . . 4.190 3.873 3.444 4.128 . 0 0 "[ . 1 . 2]" 1 333 1 15 MET H 1 40 ASN HD21 . . 5.130 2.783 2.131 4.631 . 0 0 "[ . 1 . 2]" 1 334 1 15 MET H 1 40 ASN HD22 . . 5.500 3.078 2.441 4.439 . 0 0 "[ . 1 . 2]" 1 335 1 15 MET H 1 41 GLN HA . . 4.770 4.520 4.023 4.861 0.091 11 0 "[ . 1 . 2]" 1 336 1 15 MET HA 1 15 MET HG2 . . 4.230 4.000 3.613 4.126 . 0 0 "[ . 1 . 2]" 1 337 1 15 MET HA 1 15 MET HG3 . . 4.190 3.691 3.580 3.905 . 0 0 "[ . 1 . 2]" 1 338 1 15 MET HA 1 16 SER H . . 3.120 2.746 2.494 2.969 . 0 0 "[ . 1 . 2]" 1 339 1 15 MET HA 1 16 SER HA . . 5.110 4.414 4.196 4.630 . 0 0 "[ . 1 . 2]" 1 340 1 15 MET HB2 1 15 MET ME . . 4.370 3.435 2.747 4.095 . 0 0 "[ . 1 . 2]" 1 341 1 15 MET HB2 1 16 SER H . . 3.530 2.043 1.923 2.177 . 0 0 "[ . 1 . 2]" 1 342 1 15 MET HB2 1 16 SER QB . . 5.500 3.802 3.271 4.374 . 0 0 "[ . 1 . 2]" 1 343 1 15 MET HB2 1 97 THR MG . . 5.500 3.907 3.191 4.502 . 0 0 "[ . 1 . 2]" 1 344 1 15 MET HB2 1 101 LYS QD . . 4.990 4.328 3.718 5.066 0.076 6 0 "[ . 1 . 2]" 1 345 1 15 MET HB3 1 16 SER H . . 4.100 3.554 3.455 3.660 . 0 0 "[ . 1 . 2]" 1 346 1 15 MET ME 1 16 SER H . . 5.500 4.350 3.913 4.792 . 0 0 "[ . 1 . 2]" 1 347 1 15 MET ME 1 16 SER QB . . 5.140 4.114 3.229 4.799 . 0 0 "[ . 1 . 2]" 1 348 1 15 MET ME 1 41 GLN HA . . 4.560 4.350 3.954 4.658 0.098 14 0 "[ . 1 . 2]" 1 349 1 15 MET ME 1 42 VAL H . . 5.360 4.601 4.340 4.887 . 0 0 "[ . 1 . 2]" 1 350 1 15 MET ME 1 42 VAL QG . . 3.830 2.940 2.618 3.228 . 0 0 "[ . 1 . 2]" 1 351 1 15 MET ME 1 94 MET H . . 4.530 4.610 4.390 4.651 0.121 18 0 "[ . 1 . 2]" 1 352 1 15 MET ME 1 94 MET HA . . 3.860 2.502 2.187 2.785 . 0 0 "[ . 1 . 2]" 1 353 1 15 MET ME 1 94 MET ME . . 5.500 4.509 4.164 4.935 . 0 0 "[ . 1 . 2]" 1 354 1 15 MET ME 1 94 MET QG . . 4.390 3.403 2.788 3.808 . 0 0 "[ . 1 . 2]" 1 355 1 15 MET ME 1 95 CYS H . . 4.250 4.342 4.243 4.365 0.115 20 0 "[ . 1 . 2]" 1 356 1 15 MET ME 1 95 CYS HA . . 5.500 3.862 3.598 4.228 . 0 0 "[ . 1 . 2]" 1 357 1 15 MET ME 1 97 THR H . . 4.760 3.959 3.747 4.294 . 0 0 "[ . 1 . 2]" 1 358 1 15 MET ME 1 97 THR HA . . 5.100 4.479 4.278 4.621 . 0 0 "[ . 1 . 2]" 1 359 1 15 MET ME 1 97 THR HB . . 3.530 2.584 2.240 3.001 . 0 0 "[ . 1 . 2]" 1 360 1 15 MET ME 1 97 THR MG . . 3.320 2.154 1.974 2.356 . 0 0 "[ . 1 . 2]" 1 361 1 15 MET ME 1 98 GLN H . . 3.560 2.196 2.092 2.320 . 0 0 "[ . 1 . 2]" 1 362 1 15 MET ME 1 98 GLN HA . . 3.820 2.683 2.500 2.900 . 0 0 "[ . 1 . 2]" 1 363 1 15 MET ME 1 98 GLN HB2 . . 2.460 2.039 1.890 2.135 . 0 0 "[ . 1 . 2]" 1 364 1 15 MET ME 1 98 GLN QE . . 5.470 4.100 3.849 4.377 . 0 0 "[ . 1 . 2]" 1 365 1 15 MET ME 1 98 GLN HG2 . . 4.620 3.418 2.495 3.985 . 0 0 "[ . 1 . 2]" 1 366 1 15 MET ME 1 99 TYR H . . 4.190 4.310 4.300 4.317 0.127 16 0 "[ . 1 . 2]" 1 367 1 15 MET ME 1 101 LYS QD . . 4.130 3.295 2.759 4.211 0.081 11 0 "[ . 1 . 2]" 1 368 1 15 MET ME 1 101 LYS QE . . 4.110 3.735 2.398 4.224 0.114 12 0 "[ . 1 . 2]" 1 369 1 15 MET ME 1 101 LYS HG3 . . 5.500 4.013 3.683 4.406 . 0 0 "[ . 1 . 2]" 1 370 1 15 MET HG2 1 16 SER H . . 4.860 4.039 3.808 4.423 . 0 0 "[ . 1 . 2]" 1 371 1 15 MET HG2 1 41 GLN HA . . 5.500 3.830 3.041 4.317 . 0 0 "[ . 1 . 2]" 1 372 1 15 MET HG2 1 94 MET QG . . 5.230 3.646 2.891 5.046 . 0 0 "[ . 1 . 2]" 1 373 1 15 MET HG3 1 16 SER H . . 5.130 2.863 2.498 3.499 . 0 0 "[ . 1 . 2]" 1 374 1 15 MET HG3 1 16 SER HA . . 5.500 4.568 4.354 4.930 . 0 0 "[ . 1 . 2]" 1 375 1 15 MET HG3 1 17 ARG H . . 5.500 5.440 5.116 5.573 0.073 11 0 "[ . 1 . 2]" 1 376 1 15 MET HG3 1 17 ARG HA . . 5.500 5.231 4.611 5.591 0.091 13 0 "[ . 1 . 2]" 1 377 1 15 MET HG3 1 41 GLN HA . . 5.500 4.864 4.156 5.563 0.063 5 0 "[ . 1 . 2]" 1 378 1 15 MET HG3 1 94 MET QG . . 5.500 3.182 2.591 4.186 . 0 0 "[ . 1 . 2]" 1 379 1 15 MET HG3 1 97 THR MG . . 5.500 4.074 3.132 4.683 . 0 0 "[ . 1 . 2]" 1 380 1 16 SER H 1 16 SER QB . . 3.360 2.383 1.965 2.965 . 0 0 "[ . 1 . 2]" 1 381 1 16 SER H 1 17 ARG H . . 4.720 4.387 4.142 4.633 . 0 0 "[ . 1 . 2]" 1 382 1 16 SER H 1 97 THR MG . . 5.500 3.868 3.302 4.297 . 0 0 "[ . 1 . 2]" 1 383 1 16 SER HA 1 17 ARG H . . 2.860 2.095 1.939 2.260 . 0 0 "[ . 1 . 2]" 1 384 1 16 SER HA 1 17 ARG HB3 . . 4.760 4.490 3.940 4.804 0.044 6 0 "[ . 1 . 2]" 1 385 1 16 SER QB 1 17 ARG H . . 3.920 3.481 2.907 3.776 . 0 0 "[ . 1 . 2]" 1 386 1 16 SER QB 1 94 MET HA . . 4.470 4.314 3.797 4.435 . 0 0 "[ . 1 . 2]" 1 387 1 17 ARG H 1 17 ARG HB3 . . 3.590 2.464 2.123 2.754 . 0 0 "[ . 1 . 2]" 1 388 1 17 ARG H 1 17 ARG HD3 . . 4.940 5.063 4.473 5.839 0.899 1 5 "[+ *- 1 * . * 2]" 1 389 1 17 ARG H 1 18 PRO HD2 . . 5.320 5.037 4.907 5.246 . 0 0 "[ . 1 . 2]" 1 390 1 17 ARG HA 1 17 ARG HD3 . . 5.500 3.560 2.199 5.239 . 0 0 "[ . 1 . 2]" 1 391 1 17 ARG HA 1 18 PRO HD2 . . 3.560 2.332 2.178 2.579 . 0 0 "[ . 1 . 2]" 1 392 1 17 ARG HA 1 18 PRO HD3 . . 3.500 2.445 2.324 2.623 . 0 0 "[ . 1 . 2]" 1 393 1 17 ARG HA 1 94 MET QG . . 5.500 4.219 3.628 4.812 . 0 0 "[ . 1 . 2]" 1 394 1 17 ARG HB2 1 17 ARG HD2 . . 4.080 2.986 2.225 3.825 . 0 0 "[ . 1 . 2]" 1 395 1 17 ARG HB2 1 17 ARG HD3 . . 4.200 2.871 2.169 3.688 . 0 0 "[ . 1 . 2]" 1 396 1 17 ARG HB2 1 17 ARG HE . . 5.500 4.325 2.918 4.693 . 0 0 "[ . 1 . 2]" 1 397 1 17 ARG HB2 1 40 ASN QB . . 5.410 4.399 3.341 5.151 . 0 0 "[ . 1 . 2]" 1 398 1 17 ARG HB2 1 40 ASN HD21 . . 5.360 4.982 4.046 5.752 0.392 19 0 "[ . 1 . 2]" 1 399 1 17 ARG HB3 1 17 ARG HE . . 5.500 4.855 4.003 5.263 . 0 0 "[ . 1 . 2]" 1 400 1 17 ARG HD2 1 18 PRO HD2 . . 5.500 3.471 2.072 5.535 0.035 7 0 "[ . 1 . 2]" 1 401 1 17 ARG HD2 1 35 MET ME . . 4.980 4.066 2.511 5.018 0.038 13 0 "[ . 1 . 2]" 1 402 1 17 ARG HD2 1 35 MET QG . . 5.500 5.302 3.385 6.422 0.922 15 4 "[ .- *1 + * 2]" 1 403 1 17 ARG HE 1 35 MET HB2 . . 5.500 4.369 3.394 5.571 0.071 10 0 "[ . 1 . 2]" 1 404 1 17 ARG HE 1 35 MET ME . . 4.500 3.312 2.246 4.604 0.104 3 0 "[ . 1 . 2]" 1 405 1 17 ARG HE 1 35 MET QG . . 4.900 3.838 2.837 4.714 . 0 0 "[ . 1 . 2]" 1 406 1 17 ARG HE 1 36 TYR HA . . 4.780 4.215 2.925 4.821 0.041 19 0 "[ . 1 . 2]" 1 407 1 17 ARG HE 1 40 ASN QB . . 5.500 4.859 3.824 5.390 . 0 0 "[ . 1 . 2]" 1 408 1 17 ARG QG 1 35 MET ME . . 3.280 2.923 2.095 3.407 0.127 11 0 "[ . 1 . 2]" 1 409 1 18 PRO HA 1 19 MET H . . 2.850 2.164 1.997 2.318 . 0 0 "[ . 1 . 2]" 1 410 1 18 PRO HA 1 19 MET HA . . 4.860 4.385 4.164 4.557 . 0 0 "[ . 1 . 2]" 1 411 1 18 PRO HA 1 19 MET QB . . 5.110 4.167 3.776 4.729 . 0 0 "[ . 1 . 2]" 1 412 1 18 PRO HA 1 19 MET QG . . 5.390 4.645 4.235 4.826 . 0 0 "[ . 1 . 2]" 1 413 1 18 PRO HA 1 20 ILE MD . . 5.300 5.369 5.049 5.422 0.122 5 0 "[ . 1 . 2]" 1 414 1 18 PRO HB2 1 19 MET H . . 4.110 3.380 2.818 4.015 . 0 0 "[ . 1 . 2]" 1 415 1 18 PRO HB2 1 20 ILE H . . 5.500 5.010 3.548 5.581 0.081 1 0 "[ . 1 . 2]" 1 416 1 18 PRO HB2 1 20 ILE MD . . 3.940 3.329 2.912 3.606 . 0 0 "[ . 1 . 2]" 1 417 1 18 PRO HB2 1 20 ILE QG . . 5.060 2.983 2.542 3.333 . 0 0 "[ . 1 . 2]" 1 418 1 18 PRO HB2 1 20 ILE MG . . 5.500 5.396 5.029 5.606 0.106 16 0 "[ . 1 . 2]" 1 419 1 18 PRO HB2 1 93 GLN HB3 . . 4.940 4.213 3.384 4.829 . 0 0 "[ . 1 . 2]" 1 420 1 18 PRO HB2 1 93 GLN HE21 . . 5.500 5.159 4.632 5.564 0.064 5 0 "[ . 1 . 2]" 1 421 1 18 PRO HB2 1 93 GLN HG2 . . 4.980 3.286 2.798 3.895 . 0 0 "[ . 1 . 2]" 1 422 1 18 PRO HB2 1 93 GLN HG3 . . 4.760 3.009 2.142 3.883 . 0 0 "[ . 1 . 2]" 1 423 1 18 PRO HB2 1 94 MET QG . . 5.500 4.794 3.983 5.302 . 0 0 "[ . 1 . 2]" 1 424 1 18 PRO HB3 1 19 MET H . . 4.350 3.934 3.526 4.312 . 0 0 "[ . 1 . 2]" 1 425 1 18 PRO HB3 1 20 ILE MD . . 5.100 4.555 3.950 4.957 . 0 0 "[ . 1 . 2]" 1 426 1 18 PRO HB3 1 93 GLN HG2 . . 3.250 3.316 3.132 3.522 0.272 1 0 "[ . 1 . 2]" 1 427 1 18 PRO HB3 1 93 GLN HG3 . . 3.440 2.938 2.043 3.464 0.024 11 0 "[ . 1 . 2]" 1 428 1 18 PRO HB3 1 94 MET ME . . 4.870 4.677 4.100 4.975 0.105 17 0 "[ . 1 . 2]" 1 429 1 18 PRO HD2 1 90 VAL QG . . 4.760 3.731 3.298 4.368 . 0 0 "[ . 1 . 2]" 1 430 1 18 PRO HD2 1 94 MET QG . . 4.910 4.177 3.686 4.456 . 0 0 "[ . 1 . 2]" 1 431 1 18 PRO HD3 1 90 VAL QG . . 5.290 3.910 3.673 4.280 . 0 0 "[ . 1 . 2]" 1 432 1 18 PRO HD3 1 94 MET ME . . 5.040 3.992 3.173 4.329 . 0 0 "[ . 1 . 2]" 1 433 1 18 PRO HD3 1 94 MET QG . . 5.130 2.670 2.303 2.920 . 0 0 "[ . 1 . 2]" 1 434 1 18 PRO QG 1 19 MET H . . 5.200 4.554 4.230 4.790 . 0 0 "[ . 1 . 2]" 1 435 1 18 PRO QG 1 20 ILE QG . . 5.500 4.210 3.753 4.613 . 0 0 "[ . 1 . 2]" 1 436 1 18 PRO QG 1 90 VAL HA . . 4.450 3.250 2.785 3.820 . 0 0 "[ . 1 . 2]" 1 437 1 18 PRO QG 1 90 VAL QG . . 4.200 1.980 1.793 2.447 . 0 0 "[ . 1 . 2]" 1 438 1 18 PRO QG 1 93 GLN HG2 . . 5.500 4.520 3.864 5.179 . 0 0 "[ . 1 . 2]" 1 439 1 18 PRO QG 1 94 MET H . . 5.300 4.170 3.370 4.673 . 0 0 "[ . 1 . 2]" 1 440 1 18 PRO QG 1 94 MET QG . . 4.970 3.210 2.213 3.662 . 0 0 "[ . 1 . 2]" 1 441 1 19 MET H 1 19 MET QB . . 3.320 2.724 2.162 3.308 . 0 0 "[ . 1 . 2]" 1 442 1 19 MET H 1 19 MET ME . . 4.780 4.590 4.246 4.867 0.087 7 0 "[ . 1 . 2]" 1 443 1 19 MET H 1 19 MET QG . . 4.440 3.431 2.594 3.878 . 0 0 "[ . 1 . 2]" 1 444 1 19 MET H 1 20 ILE H . . 4.880 4.068 3.050 4.407 . 0 0 "[ . 1 . 2]" 1 445 1 19 MET H 1 20 ILE MD . . 5.500 5.034 4.572 5.577 0.077 8 0 "[ . 1 . 2]" 1 446 1 19 MET H 1 20 ILE QG . . 5.370 3.608 3.214 4.141 . 0 0 "[ . 1 . 2]" 1 447 1 19 MET H 1 90 VAL QG . . 5.500 5.037 4.631 5.348 . 0 0 "[ . 1 . 2]" 1 448 1 19 MET HA 1 19 MET ME . . 3.820 2.763 2.103 3.915 0.095 10 0 "[ . 1 . 2]" 1 449 1 19 MET HA 1 20 ILE H . . 3.300 2.169 2.037 2.441 . 0 0 "[ . 1 . 2]" 1 450 1 19 MET HA 1 20 ILE HA . . 5.020 4.415 4.319 4.484 . 0 0 "[ . 1 . 2]" 1 451 1 19 MET HA 1 20 ILE HB . . 5.500 4.679 4.307 4.950 . 0 0 "[ . 1 . 2]" 1 452 1 19 MET HA 1 20 ILE QG . . 5.500 3.189 2.506 3.625 . 0 0 "[ . 1 . 2]" 1 453 1 19 MET HA 1 20 ILE MG . . 5.500 5.280 5.001 5.404 . 0 0 "[ . 1 . 2]" 1 454 1 19 MET HA 1 31 TYR QE . . 2.980 2.514 2.082 3.069 0.089 2 0 "[ . 1 . 2]" 1 455 1 19 MET HA 1 90 VAL QG . . 5.500 4.608 3.797 5.180 . 0 0 "[ . 1 . 2]" 1 456 1 19 MET QB 1 19 MET ME . . 2.400 2.248 2.037 2.490 0.090 15 0 "[ . 1 . 2]" 1 457 1 19 MET QB 1 20 ILE H . . 4.470 3.237 2.347 3.901 . 0 0 "[ . 1 . 2]" 1 458 1 19 MET QB 1 20 ILE QG . . 5.500 4.463 3.935 4.944 . 0 0 "[ . 1 . 2]" 1 459 1 19 MET QB 1 31 TYR QE . . 5.500 3.915 2.046 5.186 . 0 0 "[ . 1 . 2]" 1 460 1 19 MET ME 1 19 MET QG . . 2.910 2.503 2.221 2.749 . 0 0 "[ . 1 . 2]" 1 461 1 19 MET ME 1 20 ILE H . . 5.500 2.560 1.865 3.318 . 0 0 "[ . 1 . 2]" 1 462 1 19 MET ME 1 20 ILE HA . . 4.220 3.957 3.289 4.300 0.080 3 0 "[ . 1 . 2]" 1 463 1 19 MET ME 1 20 ILE QG . . 5.000 4.392 3.793 4.795 . 0 0 "[ . 1 . 2]" 1 464 1 19 MET ME 1 21 HIS H . . 4.730 4.290 3.718 4.743 0.013 9 0 "[ . 1 . 2]" 1 465 1 19 MET ME 1 21 HIS HB2 . . 4.290 4.258 3.725 4.400 0.110 8 0 "[ . 1 . 2]" 1 466 1 19 MET ME 1 21 HIS HD2 . . 5.060 4.981 4.082 5.166 0.106 12 0 "[ . 1 . 2]" 1 467 1 19 MET ME 1 31 TYR QD . . 4.090 3.040 2.283 3.673 . 0 0 "[ . 1 . 2]" 1 468 1 19 MET ME 1 31 TYR QE . . 4.530 2.718 2.058 3.367 . 0 0 "[ . 1 . 2]" 1 469 1 19 MET ME 1 32 ARG HE . . 5.500 4.403 2.647 5.552 0.052 15 0 "[ . 1 . 2]" 1 470 1 19 MET ME 1 35 MET ME . . 3.320 3.229 2.576 3.453 0.133 15 0 "[ . 1 . 2]" 1 471 1 19 MET QG 1 20 ILE H . . 4.750 3.768 3.186 4.295 . 0 0 "[ . 1 . 2]" 1 472 1 19 MET QG 1 20 ILE QG . . 5.500 4.888 4.466 5.092 . 0 0 "[ . 1 . 2]" 1 473 1 19 MET QG 1 35 MET ME . . 3.770 2.963 2.139 3.590 . 0 0 "[ . 1 . 2]" 1 474 1 20 ILE H 1 20 ILE HB . . 3.780 2.881 2.710 3.135 . 0 0 "[ . 1 . 2]" 1 475 1 20 ILE H 1 20 ILE MD . . 5.470 3.908 3.595 4.220 . 0 0 "[ . 1 . 2]" 1 476 1 20 ILE H 1 20 ILE QG . . 4.330 2.505 1.890 2.802 . 0 0 "[ . 1 . 2]" 1 477 1 20 ILE H 1 21 HIS H . . 5.000 4.216 3.868 4.583 . 0 0 "[ . 1 . 2]" 1 478 1 20 ILE H 1 31 TYR QD . . 4.950 3.485 3.055 4.224 . 0 0 "[ . 1 . 2]" 1 479 1 20 ILE H 1 31 TYR QE . . 3.270 2.643 2.017 3.169 . 0 0 "[ . 1 . 2]" 1 480 1 20 ILE H 1 35 MET ME . . 4.750 4.506 3.622 4.870 0.120 8 0 "[ . 1 . 2]" 1 481 1 20 ILE HA 1 20 ILE MD . . 4.130 4.067 3.941 4.173 0.043 13 0 "[ . 1 . 2]" 1 482 1 20 ILE HA 1 21 HIS H . . 2.870 2.230 2.028 2.467 . 0 0 "[ . 1 . 2]" 1 483 1 20 ILE HA 1 21 HIS HB2 . . 5.500 5.565 5.527 5.584 0.084 4 0 "[ . 1 . 2]" 1 484 1 20 ILE HA 1 21 HIS HB3 . . 4.730 4.232 4.124 4.455 . 0 0 "[ . 1 . 2]" 1 485 1 20 ILE HA 1 21 HIS HD2 . . 4.150 3.495 3.017 4.141 . 0 0 "[ . 1 . 2]" 1 486 1 20 ILE HA 1 22 PHE QE . . 5.490 4.925 4.679 5.287 . 0 0 "[ . 1 . 2]" 1 487 1 20 ILE HB 1 21 HIS H . . 4.300 3.763 3.288 4.075 . 0 0 "[ . 1 . 2]" 1 488 1 20 ILE HB 1 22 PHE QD . . 4.720 3.754 3.194 4.002 . 0 0 "[ . 1 . 2]" 1 489 1 20 ILE HB 1 22 PHE QE . . 3.440 2.378 2.073 2.736 . 0 0 "[ . 1 . 2]" 1 490 1 20 ILE HB 1 22 PHE HZ . . 4.030 3.096 2.735 3.576 . 0 0 "[ . 1 . 2]" 1 491 1 20 ILE HB 1 31 TYR QD . . 4.280 3.909 3.426 4.350 0.070 17 0 "[ . 1 . 2]" 1 492 1 20 ILE HB 1 31 TYR QE . . 4.040 3.980 3.651 4.138 0.098 15 0 "[ . 1 . 2]" 1 493 1 20 ILE HB 1 90 VAL QG . . 5.130 4.202 3.910 4.587 . 0 0 "[ . 1 . 2]" 1 494 1 20 ILE MD 1 20 ILE MG . . 3.630 2.055 1.985 2.185 . 0 0 "[ . 1 . 2]" 1 495 1 20 ILE MD 1 21 HIS H . . 5.340 5.163 4.859 5.419 0.079 18 0 "[ . 1 . 2]" 1 496 1 20 ILE MD 1 22 PHE QD . . 5.020 4.607 4.353 4.948 . 0 0 "[ . 1 . 2]" 1 497 1 20 ILE MD 1 22 PHE QE . . 4.040 3.107 2.875 3.650 . 0 0 "[ . 1 . 2]" 1 498 1 20 ILE MD 1 22 PHE HZ . . 3.780 2.428 2.185 3.008 . 0 0 "[ . 1 . 2]" 1 499 1 20 ILE MD 1 31 TYR QD . . 4.570 3.593 3.096 4.254 . 0 0 "[ . 1 . 2]" 1 500 1 20 ILE MD 1 31 TYR QE . . 3.980 2.762 2.340 3.513 . 0 0 "[ . 1 . 2]" 1 501 1 20 ILE MD 1 86 MET ME . . 5.500 5.337 4.875 5.647 0.147 12 0 "[ . 1 . 2]" 1 502 1 20 ILE MD 1 89 ARG H . . 5.470 3.587 3.312 4.100 . 0 0 "[ . 1 . 2]" 1 503 1 20 ILE MD 1 89 ARG HB2 . . 5.220 2.123 1.981 3.218 . 0 0 "[ . 1 . 2]" 1 504 1 20 ILE MD 1 89 ARG HB3 . . 4.180 3.022 2.113 4.067 . 0 0 "[ . 1 . 2]" 1 505 1 20 ILE MD 1 89 ARG HD2 . . 5.500 4.724 3.827 5.162 . 0 0 "[ . 1 . 2]" 1 506 1 20 ILE MD 1 89 ARG HD3 . . 5.500 3.996 2.693 4.792 . 0 0 "[ . 1 . 2]" 1 507 1 20 ILE MD 1 89 ARG HE . . 5.500 5.183 4.299 5.592 0.092 8 0 "[ . 1 . 2]" 1 508 1 20 ILE MD 1 89 ARG HG2 . . 5.350 3.291 2.016 4.037 . 0 0 "[ . 1 . 2]" 1 509 1 20 ILE MD 1 89 ARG HG3 . . 5.410 3.962 2.229 4.726 . 0 0 "[ . 1 . 2]" 1 510 1 20 ILE MD 1 90 VAL H . . 4.170 2.531 2.186 2.967 . 0 0 "[ . 1 . 2]" 1 511 1 20 ILE MD 1 90 VAL HA . . 3.680 2.331 2.065 2.571 . 0 0 "[ . 1 . 2]" 1 512 1 20 ILE MD 1 90 VAL HB . . 5.040 3.670 2.994 4.190 . 0 0 "[ . 1 . 2]" 1 513 1 20 ILE MD 1 90 VAL QG . . 4.260 1.928 1.777 2.197 . 0 0 "[ . 1 . 2]" 1 514 1 20 ILE MD 1 93 GLN H . . 5.500 4.692 4.125 5.008 . 0 0 "[ . 1 . 2]" 1 515 1 20 ILE MD 1 93 GLN HB2 . . 5.300 4.832 4.186 5.329 0.029 14 0 "[ . 1 . 2]" 1 516 1 20 ILE MD 1 93 GLN HE21 . . 5.500 3.516 2.704 4.125 . 0 0 "[ . 1 . 2]" 1 517 1 20 ILE MD 1 93 GLN HE22 . . 5.500 4.806 3.252 5.585 0.085 6 0 "[ . 1 . 2]" 1 518 1 20 ILE MD 1 93 GLN HG2 . . 4.730 3.287 2.618 3.798 . 0 0 "[ . 1 . 2]" 1 519 1 20 ILE MD 1 93 GLN HG3 . . 4.470 3.983 2.662 4.616 0.146 8 0 "[ . 1 . 2]" 1 520 1 20 ILE QG 1 21 HIS H . . 5.240 4.615 4.445 4.800 . 0 0 "[ . 1 . 2]" 1 521 1 20 ILE QG 1 22 PHE QE . . 4.260 4.034 2.985 4.149 . 0 0 "[ . 1 . 2]" 1 522 1 20 ILE QG 1 22 PHE HZ . . 5.330 4.173 3.661 4.685 . 0 0 "[ . 1 . 2]" 1 523 1 20 ILE QG 1 31 TYR QD . . 4.990 4.326 3.660 4.677 . 0 0 "[ . 1 . 2]" 1 524 1 20 ILE QG 1 31 TYR QE . . 4.230 3.316 2.833 3.895 . 0 0 "[ . 1 . 2]" 1 525 1 20 ILE QG 1 90 VAL H . . 5.380 4.362 3.874 4.898 . 0 0 "[ . 1 . 2]" 1 526 1 20 ILE QG 1 90 VAL HA . . 5.470 3.371 2.963 3.872 . 0 0 "[ . 1 . 2]" 1 527 1 20 ILE QG 1 90 VAL QG . . 4.770 2.798 2.249 3.214 . 0 0 "[ . 1 . 2]" 1 528 1 20 ILE QG 1 93 GLN HE21 . . 5.100 3.593 3.384 4.138 . 0 0 "[ . 1 . 2]" 1 529 1 20 ILE QG 1 93 GLN HE22 . . 5.500 4.736 3.639 5.052 . 0 0 "[ . 1 . 2]" 1 530 1 20 ILE QG 1 93 GLN HG2 . . 5.440 3.227 2.818 3.753 . 0 0 "[ . 1 . 2]" 1 531 1 20 ILE QG 1 93 GLN HG3 . . 5.330 3.185 2.704 3.704 . 0 0 "[ . 1 . 2]" 1 532 1 20 ILE MG 1 21 HIS H . . 3.680 2.499 1.959 2.967 . 0 0 "[ . 1 . 2]" 1 533 1 20 ILE MG 1 21 HIS HA . . 4.990 4.280 4.003 4.680 . 0 0 "[ . 1 . 2]" 1 534 1 20 ILE MG 1 21 HIS HD2 . . 5.140 3.935 3.286 4.594 . 0 0 "[ . 1 . 2]" 1 535 1 20 ILE MG 1 22 PHE H . . 5.080 2.434 1.964 4.719 . 0 0 "[ . 1 . 2]" 1 536 1 20 ILE MG 1 22 PHE HA . . 5.320 3.396 3.085 3.865 . 0 0 "[ . 1 . 2]" 1 537 1 20 ILE MG 1 22 PHE QD . . 3.910 3.308 3.087 3.617 . 0 0 "[ . 1 . 2]" 1 538 1 20 ILE MG 1 22 PHE QE . . 3.490 2.940 2.766 3.143 . 0 0 "[ . 1 . 2]" 1 539 1 20 ILE MG 1 22 PHE HZ . . 3.540 3.095 2.812 3.515 . 0 0 "[ . 1 . 2]" 1 540 1 20 ILE MG 1 86 MET HA . . 5.500 4.557 3.994 5.173 . 0 0 "[ . 1 . 2]" 1 541 1 20 ILE MG 1 86 MET ME . . 5.500 5.489 5.221 5.621 0.121 12 0 "[ . 1 . 2]" 1 542 1 20 ILE MG 1 89 ARG HB2 . . 5.020 3.039 2.491 3.584 . 0 0 "[ . 1 . 2]" 1 543 1 20 ILE MG 1 89 ARG HB3 . . 5.060 3.431 2.778 4.346 . 0 0 "[ . 1 . 2]" 1 544 1 20 ILE MG 1 89 ARG HD3 . . 5.350 4.599 2.771 5.440 0.090 11 0 "[ . 1 . 2]" 1 545 1 20 ILE MG 1 89 ARG HE . . 5.500 4.925 3.666 5.622 0.122 12 0 "[ . 1 . 2]" 1 546 1 20 ILE MG 1 89 ARG HG2 . . 5.200 3.424 2.909 4.075 . 0 0 "[ . 1 . 2]" 1 547 1 20 ILE MG 1 89 ARG HG3 . . 5.460 3.952 2.263 5.340 . 0 0 "[ . 1 . 2]" 1 548 1 20 ILE MG 1 90 VAL QG . . 5.300 4.282 4.133 4.455 . 0 0 "[ . 1 . 2]" 1 549 1 20 ILE MG 1 93 GLN HE21 . . 5.500 3.826 3.028 4.253 . 0 0 "[ . 1 . 2]" 1 550 1 20 ILE MG 1 93 GLN HE22 . . 5.500 4.420 2.862 4.971 . 0 0 "[ . 1 . 2]" 1 551 1 20 ILE MG 1 93 GLN HG2 . . 5.500 4.613 4.201 4.997 . 0 0 "[ . 1 . 2]" 1 552 1 21 HIS H 1 21 HIS HB2 . . 3.820 3.785 3.613 3.889 0.069 5 0 "[ . 1 . 2]" 1 553 1 21 HIS H 1 21 HIS HB3 . . 3.540 2.885 2.555 3.129 . 0 0 "[ . 1 . 2]" 1 554 1 21 HIS H 1 21 HIS HD2 . . 3.720 2.184 1.952 2.620 . 0 0 "[ . 1 . 2]" 1 555 1 21 HIS H 1 22 PHE H . . 4.980 2.156 1.746 4.437 . 0 0 "[ . 1 . 2]" 1 556 1 21 HIS H 1 22 PHE QD . . 4.850 4.196 3.771 4.930 0.080 4 0 "[ . 1 . 2]" 1 557 1 21 HIS H 1 22 PHE QE . . 5.430 4.854 4.364 5.291 . 0 0 "[ . 1 . 2]" 1 558 1 21 HIS HA 1 22 PHE QD . . 3.840 3.037 2.641 3.368 . 0 0 "[ . 1 . 2]" 1 559 1 21 HIS HA 1 23 GLY H . . 4.390 4.166 3.854 4.404 0.014 13 0 "[ . 1 . 2]" 1 560 1 21 HIS HB2 1 22 PHE H . . 4.690 4.316 3.062 4.450 . 0 0 "[ . 1 . 2]" 1 561 1 21 HIS HB2 1 23 GLY H . . 3.880 3.706 3.328 3.958 0.078 16 0 "[ . 1 . 2]" 1 562 1 21 HIS HB3 1 21 HIS HD2 . . 3.400 2.920 2.791 3.380 . 0 0 "[ . 1 . 2]" 1 563 1 21 HIS HB3 1 22 PHE H . . 4.840 4.257 4.160 4.413 . 0 0 "[ . 1 . 2]" 1 564 1 21 HIS HB3 1 23 GLY H . . 5.200 4.614 4.406 4.944 . 0 0 "[ . 1 . 2]" 1 565 1 21 HIS HD2 1 22 PHE H . . 4.860 3.481 2.999 4.923 0.063 4 0 "[ . 1 . 2]" 1 566 1 21 HIS HD2 1 22 PHE HA . . 5.340 5.127 4.620 5.405 0.065 1 0 "[ . 1 . 2]" 1 567 1 21 HIS HD2 1 23 GLY H . . 4.980 4.269 3.630 5.044 0.064 4 0 "[ . 1 . 2]" 1 568 1 21 HIS HE1 1 23 GLY HA2 . . 5.000 3.042 2.394 5.058 0.058 4 0 "[ . 1 . 2]" 1 569 1 22 PHE H 1 22 PHE HB2 . . 3.850 3.494 2.616 3.712 . 0 0 "[ . 1 . 2]" 1 570 1 22 PHE H 1 22 PHE HB3 . . 3.960 3.950 3.785 4.036 0.076 8 0 "[ . 1 . 2]" 1 571 1 22 PHE H 1 22 PHE QD . . 3.960 3.207 2.937 3.408 . 0 0 "[ . 1 . 2]" 1 572 1 22 PHE H 1 22 PHE QE . . 5.500 4.454 4.196 5.055 . 0 0 "[ . 1 . 2]" 1 573 1 22 PHE H 1 23 GLY H . . 3.500 3.038 2.043 3.256 . 0 0 "[ . 1 . 2]" 1 574 1 22 PHE H 1 23 GLY HA3 . . 5.500 5.440 4.735 5.569 0.069 10 0 "[ . 1 . 2]" 1 575 1 22 PHE H 1 24 ASN H . . 4.830 4.745 3.343 4.914 0.084 15 0 "[ . 1 . 2]" 1 576 1 22 PHE H 1 28 ASP HA . . 5.500 5.172 3.559 5.543 0.043 5 0 "[ . 1 . 2]" 1 577 1 22 PHE HA 1 22 PHE QD . . 3.300 2.942 2.764 3.234 . 0 0 "[ . 1 . 2]" 1 578 1 22 PHE HA 1 22 PHE QE . . 5.010 4.648 4.412 4.911 . 0 0 "[ . 1 . 2]" 1 579 1 22 PHE HA 1 24 ASN H . . 4.830 4.464 4.000 4.762 . 0 0 "[ . 1 . 2]" 1 580 1 22 PHE HB2 1 23 GLY H . . 4.350 3.679 3.266 3.994 . 0 0 "[ . 1 . 2]" 1 581 1 22 PHE HB2 1 27 GLU HB2 . . 4.500 2.568 2.190 3.176 . 0 0 "[ . 1 . 2]" 1 582 1 22 PHE HB2 1 27 GLU HB3 . . 4.590 2.957 2.591 3.496 . 0 0 "[ . 1 . 2]" 1 583 1 22 PHE HB2 1 28 ASP H . . 4.760 3.608 2.943 4.122 . 0 0 "[ . 1 . 2]" 1 584 1 22 PHE HB2 1 86 MET ME . . 5.500 4.620 4.224 4.986 . 0 0 "[ . 1 . 2]" 1 585 1 22 PHE HB3 1 23 GLY H . . 4.750 4.355 4.126 4.539 . 0 0 "[ . 1 . 2]" 1 586 1 22 PHE HB3 1 24 ASN H . . 4.240 3.907 2.973 4.312 0.072 19 0 "[ . 1 . 2]" 1 587 1 22 PHE HB3 1 24 ASN HD21 . . 5.500 3.901 3.002 5.575 0.075 7 0 "[ . 1 . 2]" 1 588 1 22 PHE HB3 1 24 ASN HD22 . . 5.490 4.924 4.056 5.570 0.080 8 0 "[ . 1 . 2]" 1 589 1 22 PHE HB3 1 27 GLU HB2 . . 4.510 3.047 2.514 3.928 . 0 0 "[ . 1 . 2]" 1 590 1 22 PHE HB3 1 27 GLU HB3 . . 4.660 3.222 2.663 3.995 . 0 0 "[ . 1 . 2]" 1 591 1 22 PHE QD 1 23 GLY H . . 4.860 4.637 4.287 4.902 0.042 18 0 "[ . 1 . 2]" 1 592 1 22 PHE QD 1 27 GLU HB2 . . 4.420 3.837 3.446 4.198 . 0 0 "[ . 1 . 2]" 1 593 1 22 PHE QD 1 27 GLU HB3 . . 3.940 3.273 2.979 3.683 . 0 0 "[ . 1 . 2]" 1 594 1 22 PHE QD 1 28 ASP H . . 4.160 4.070 3.762 4.250 0.090 14 0 "[ . 1 . 2]" 1 595 1 22 PHE QD 1 28 ASP HA . . 3.180 2.630 2.283 2.999 . 0 0 "[ . 1 . 2]" 1 596 1 22 PHE QD 1 28 ASP HB2 . . 4.300 3.898 3.353 4.390 0.090 2 0 "[ . 1 . 2]" 1 597 1 22 PHE QD 1 31 TYR H . . 5.500 4.813 4.560 5.239 . 0 0 "[ . 1 . 2]" 1 598 1 22 PHE QD 1 31 TYR HB3 . . 4.500 3.566 3.122 3.854 . 0 0 "[ . 1 . 2]" 1 599 1 22 PHE QD 1 86 MET HA . . 4.850 4.721 4.406 4.937 0.087 1 0 "[ . 1 . 2]" 1 600 1 22 PHE QD 1 86 MET ME . . 4.240 3.788 3.509 4.102 . 0 0 "[ . 1 . 2]" 1 601 1 22 PHE QE 1 28 ASP HA . . 4.420 4.042 3.286 4.483 0.063 2 0 "[ . 1 . 2]" 1 602 1 22 PHE QE 1 31 TYR H . . 4.750 4.609 4.337 4.845 0.095 4 0 "[ . 1 . 2]" 1 603 1 22 PHE QE 1 31 TYR HB2 . . 3.600 2.418 2.149 2.732 . 0 0 "[ . 1 . 2]" 1 604 1 22 PHE QE 1 31 TYR HB3 . . 3.520 2.925 2.682 3.123 . 0 0 "[ . 1 . 2]" 1 605 1 22 PHE QE 1 31 TYR QD . . 3.330 2.969 2.736 3.237 . 0 0 "[ . 1 . 2]" 1 606 1 22 PHE QE 1 32 ARG H . . 5.210 5.255 5.035 5.303 0.093 12 0 "[ . 1 . 2]" 1 607 1 22 PHE QE 1 86 MET H . . 5.500 5.079 4.663 5.434 . 0 0 "[ . 1 . 2]" 1 608 1 22 PHE QE 1 86 MET HA . . 3.850 2.566 2.275 2.991 . 0 0 "[ . 1 . 2]" 1 609 1 22 PHE QE 1 86 MET ME . . 3.710 3.509 3.109 3.741 0.031 5 0 "[ . 1 . 2]" 1 610 1 22 PHE QE 1 86 MET QG . . 5.420 4.285 4.068 4.497 . 0 0 "[ . 1 . 2]" 1 611 1 22 PHE QE 1 89 ARG HB2 . . 4.350 3.991 3.374 4.961 0.611 2 1 "[ + . 1 . 2]" 1 612 1 22 PHE QE 1 89 ARG HD2 . . 5.440 4.622 3.518 5.410 . 0 0 "[ . 1 . 2]" 1 613 1 22 PHE QE 1 89 ARG HD3 . . 5.500 3.409 2.002 4.561 . 0 0 "[ . 1 . 2]" 1 614 1 22 PHE QE 1 89 ARG HE . . 5.500 3.179 2.311 4.135 . 0 0 "[ . 1 . 2]" 1 615 1 22 PHE QE 1 89 ARG HG2 . . 4.840 3.258 2.249 4.434 . 0 0 "[ . 1 . 2]" 1 616 1 22 PHE QE 1 89 ARG HG3 . . 5.170 4.127 2.515 5.255 0.085 4 0 "[ . 1 . 2]" 1 617 1 22 PHE HZ 1 31 TYR HB2 . . 4.590 3.876 3.310 4.165 . 0 0 "[ . 1 . 2]" 1 618 1 22 PHE HZ 1 31 TYR HB3 . . 5.500 5.079 4.522 5.429 . 0 0 "[ . 1 . 2]" 1 619 1 22 PHE HZ 1 31 TYR QD . . 4.220 3.296 2.682 3.598 . 0 0 "[ . 1 . 2]" 1 620 1 22 PHE HZ 1 31 TYR QE . . 4.200 4.054 3.592 4.294 0.094 2 0 "[ . 1 . 2]" 1 621 1 22 PHE HZ 1 86 MET H . . 5.050 5.033 4.883 5.134 0.084 2 0 "[ . 1 . 2]" 1 622 1 22 PHE HZ 1 86 MET HA . . 3.790 2.343 2.081 2.530 . 0 0 "[ . 1 . 2]" 1 623 1 22 PHE HZ 1 86 MET HB2 . . 3.900 3.949 3.883 3.987 0.087 18 0 "[ . 1 . 2]" 1 624 1 22 PHE HZ 1 86 MET HB3 . . 4.330 2.336 2.224 2.461 . 0 0 "[ . 1 . 2]" 1 625 1 22 PHE HZ 1 86 MET ME . . 4.010 3.963 3.576 4.117 0.107 8 0 "[ . 1 . 2]" 1 626 1 22 PHE HZ 1 86 MET QG . . 5.160 4.051 3.779 4.371 . 0 0 "[ . 1 . 2]" 1 627 1 22 PHE HZ 1 89 ARG HB2 . . 4.860 4.096 3.422 4.983 0.123 2 0 "[ . 1 . 2]" 1 628 1 22 PHE HZ 1 89 ARG HD3 . . 5.340 4.480 2.260 5.415 0.075 11 0 "[ . 1 . 2]" 1 629 1 22 PHE HZ 1 89 ARG HG2 . . 5.500 4.341 2.805 5.552 0.052 5 0 "[ . 1 . 2]" 1 630 1 22 PHE HZ 1 90 VAL QG . . 4.170 3.901 3.446 4.186 0.016 5 0 "[ . 1 . 2]" 1 631 1 23 GLY H 1 24 ASN H . . 3.220 2.675 2.290 2.874 . 0 0 "[ . 1 . 2]" 1 632 1 24 ASN H 1 24 ASN QB . . 3.560 2.406 2.171 2.722 . 0 0 "[ . 1 . 2]" 1 633 1 24 ASN H 1 24 ASN HD21 . . 4.750 4.587 3.912 4.826 0.076 2 0 "[ . 1 . 2]" 1 634 1 24 ASN H 1 25 ASP H . . 4.630 4.436 4.319 4.579 . 0 0 "[ . 1 . 2]" 1 635 1 24 ASN H 1 25 ASP HA . . 5.140 4.988 4.756 5.211 0.071 16 0 "[ . 1 . 2]" 1 636 1 24 ASN H 1 26 TRP H . . 5.500 5.334 4.604 5.586 0.086 1 0 "[ . 1 . 2]" 1 637 1 24 ASN H 1 27 GLU H . . 5.320 5.010 4.542 5.387 0.067 4 0 "[ . 1 . 2]" 1 638 1 24 ASN H 1 27 GLU HB2 . . 4.630 4.045 3.779 4.407 . 0 0 "[ . 1 . 2]" 1 639 1 24 ASN H 1 27 GLU HB3 . . 5.320 5.323 5.189 5.397 0.077 14 0 "[ . 1 . 2]" 1 640 1 24 ASN H 1 28 ASP H . . 4.910 3.890 3.542 4.548 . 0 0 "[ . 1 . 2]" 1 641 1 24 ASN HA 1 24 ASN HD22 . . 5.500 4.366 3.692 4.846 . 0 0 "[ . 1 . 2]" 1 642 1 24 ASN HA 1 25 ASP H . . 2.890 2.372 2.130 2.619 . 0 0 "[ . 1 . 2]" 1 643 1 24 ASN HA 1 25 ASP QB . . 4.610 4.295 3.897 4.664 0.054 7 0 "[ . 1 . 2]" 1 644 1 24 ASN HA 1 26 TRP H . . 4.760 4.072 3.705 4.373 . 0 0 "[ . 1 . 2]" 1 645 1 24 ASN QB 1 25 ASP H . . 3.670 2.772 2.121 3.586 . 0 0 "[ . 1 . 2]" 1 646 1 24 ASN QB 1 25 ASP HA . . 5.140 4.180 3.987 4.586 . 0 0 "[ . 1 . 2]" 1 647 1 24 ASN QB 1 26 TRP H . . 4.490 2.563 2.057 3.163 . 0 0 "[ . 1 . 2]" 1 648 1 24 ASN QB 1 26 TRP QB . . 5.210 4.401 3.776 4.796 . 0 0 "[ . 1 . 2]" 1 649 1 24 ASN QB 1 26 TRP HD1 . . 3.640 3.354 2.194 3.747 0.107 11 0 "[ . 1 . 2]" 1 650 1 24 ASN QB 1 26 TRP HE1 . . 5.270 4.336 3.338 4.909 . 0 0 "[ . 1 . 2]" 1 651 1 24 ASN QB 1 27 GLU H . . 4.430 2.125 1.865 2.498 . 0 0 "[ . 1 . 2]" 1 652 1 24 ASN QB 1 27 GLU HB2 . . 4.250 2.061 1.969 2.189 . 0 0 "[ . 1 . 2]" 1 653 1 24 ASN QB 1 27 GLU HB3 . . 4.470 3.540 3.309 3.857 . 0 0 "[ . 1 . 2]" 1 654 1 24 ASN QB 1 27 GLU HG2 . . 5.500 4.309 3.845 4.515 . 0 0 "[ . 1 . 2]" 1 655 1 24 ASN QB 1 27 GLU HG3 . . 5.140 3.150 2.593 3.540 . 0 0 "[ . 1 . 2]" 1 656 1 24 ASN QB 1 28 ASP HB2 . . 4.230 3.707 2.821 4.306 0.076 6 0 "[ . 1 . 2]" 1 657 1 24 ASN HD21 1 25 ASP H . . 5.500 4.878 3.090 5.588 0.088 18 0 "[ . 1 . 2]" 1 658 1 24 ASN HD21 1 26 TRP H . . 5.500 4.729 3.763 5.396 . 0 0 "[ . 1 . 2]" 1 659 1 24 ASN HD21 1 26 TRP HD1 . . 4.150 3.995 2.963 4.234 0.084 16 0 "[ . 1 . 2]" 1 660 1 24 ASN HD21 1 26 TRP HE1 . . 5.500 3.561 2.805 4.043 . 0 0 "[ . 1 . 2]" 1 661 1 24 ASN HD21 1 27 GLU H . . 5.500 3.615 3.297 4.072 . 0 0 "[ . 1 . 2]" 1 662 1 24 ASN HD21 1 27 GLU HB2 . . 5.400 2.880 2.347 4.045 . 0 0 "[ . 1 . 2]" 1 663 1 24 ASN HD21 1 27 GLU HB3 . . 5.500 4.176 3.584 5.559 0.059 1 0 "[ . 1 . 2]" 1 664 1 24 ASN HD21 1 27 GLU HG2 . . 5.500 4.191 3.407 5.535 0.035 14 0 "[ . 1 . 2]" 1 665 1 24 ASN HD21 1 27 GLU HG3 . . 5.500 2.681 1.734 4.042 . 0 0 "[ . 1 . 2]" 1 666 1 24 ASN HD21 1 28 ASP H . . 5.500 5.090 4.746 5.570 0.070 5 0 "[ . 1 . 2]" 1 667 1 24 ASN HD22 1 27 GLU H . . 5.500 4.315 3.658 5.001 . 0 0 "[ . 1 . 2]" 1 668 1 24 ASN HD22 1 27 GLU HB2 . . 5.100 4.025 3.769 4.240 . 0 0 "[ . 1 . 2]" 1 669 1 24 ASN HD22 1 27 GLU HB3 . . 5.180 5.245 5.033 5.272 0.092 10 0 "[ . 1 . 2]" 1 670 1 24 ASN HD22 1 27 GLU HG2 . . 5.500 4.812 4.338 5.430 . 0 0 "[ . 1 . 2]" 1 671 1 24 ASN HD22 1 27 GLU HG3 . . 4.410 3.197 2.722 3.835 . 0 0 "[ . 1 . 2]" 1 672 1 25 ASP H 1 25 ASP QB . . 3.000 2.331 2.080 2.559 . 0 0 "[ . 1 . 2]" 1 673 1 25 ASP H 1 26 TRP H . . 3.560 2.334 1.984 2.676 . 0 0 "[ . 1 . 2]" 1 674 1 25 ASP H 1 26 TRP QB . . 5.500 4.427 4.112 4.765 . 0 0 "[ . 1 . 2]" 1 675 1 25 ASP H 1 26 TRP HD1 . . 5.500 3.760 3.326 4.449 . 0 0 "[ . 1 . 2]" 1 676 1 25 ASP H 1 27 GLU H . . 5.330 4.134 3.530 4.534 . 0 0 "[ . 1 . 2]" 1 677 1 25 ASP HA 1 26 TRP HA . . 4.770 4.551 4.332 4.734 . 0 0 "[ . 1 . 2]" 1 678 1 25 ASP HA 1 26 TRP QB . . 5.230 5.200 5.043 5.314 0.084 17 0 "[ . 1 . 2]" 1 679 1 25 ASP HA 1 27 GLU H . . 5.500 5.080 4.641 5.409 . 0 0 "[ . 1 . 2]" 1 680 1 25 ASP HA 1 28 ASP H . . 4.120 4.131 3.787 4.203 0.083 2 0 "[ . 1 . 2]" 1 681 1 25 ASP HA 1 28 ASP HB2 . . 4.220 4.128 3.916 4.287 0.067 3 0 "[ . 1 . 2]" 1 682 1 25 ASP HA 1 28 ASP HB3 . . 3.990 3.136 2.742 3.785 . 0 0 "[ . 1 . 2]" 1 683 1 25 ASP HA 1 29 ARG H . . 4.540 4.007 3.524 4.444 . 0 0 "[ . 1 . 2]" 1 684 1 25 ASP QB 1 26 TRP H . . 3.380 2.809 2.333 3.478 0.098 12 0 "[ . 1 . 2]" 1 685 1 25 ASP QB 1 26 TRP HA . . 4.550 3.996 3.360 4.602 0.052 4 0 "[ . 1 . 2]" 1 686 1 25 ASP QB 1 26 TRP QB . . 5.140 3.657 3.250 4.186 . 0 0 "[ . 1 . 2]" 1 687 1 25 ASP QB 1 29 ARG H . . 5.500 5.183 4.642 5.598 0.098 2 0 "[ . 1 . 2]" 1 688 1 26 TRP H 1 26 TRP QB . . 2.990 2.589 2.294 2.972 . 0 0 "[ . 1 . 2]" 1 689 1 26 TRP H 1 26 TRP HD1 . . 3.570 2.623 2.307 3.059 . 0 0 "[ . 1 . 2]" 1 690 1 26 TRP H 1 27 GLU H . . 3.380 2.496 2.073 2.804 . 0 0 "[ . 1 . 2]" 1 691 1 26 TRP HA 1 26 TRP HD1 . . 4.510 4.525 4.394 4.587 0.077 15 0 "[ . 1 . 2]" 1 692 1 26 TRP HA 1 26 TRP HE3 . . 4.940 4.074 3.799 4.313 . 0 0 "[ . 1 . 2]" 1 693 1 26 TRP HA 1 29 ARG H . . 4.150 3.581 3.054 3.816 . 0 0 "[ . 1 . 2]" 1 694 1 26 TRP HA 1 29 ARG QB . . 3.750 3.762 3.210 3.851 0.101 12 0 "[ . 1 . 2]" 1 695 1 26 TRP HA 1 29 ARG HD2 . . 5.500 3.028 2.599 3.291 . 0 0 "[ . 1 . 2]" 1 696 1 26 TRP HA 1 29 ARG HD3 . . 4.770 2.936 2.270 4.091 . 0 0 "[ . 1 . 2]" 1 697 1 26 TRP HA 1 29 ARG HE . . 5.500 5.189 4.670 5.505 0.005 10 0 "[ . 1 . 2]" 1 698 1 26 TRP HA 1 29 ARG HG3 . . 5.500 3.909 3.271 4.406 . 0 0 "[ . 1 . 2]" 1 699 1 26 TRP HA 1 30 TYR H . . 5.080 3.907 3.694 4.199 . 0 0 "[ . 1 . 2]" 1 700 1 26 TRP QB 1 26 TRP HD1 . . 2.880 2.669 2.524 2.801 . 0 0 "[ . 1 . 2]" 1 701 1 26 TRP QB 1 26 TRP HE3 . . 3.040 2.635 2.508 2.788 . 0 0 "[ . 1 . 2]" 1 702 1 26 TRP QB 1 27 GLU H . . 4.310 3.470 3.329 3.608 . 0 0 "[ . 1 . 2]" 1 703 1 26 TRP QB 1 27 GLU HG2 . . 5.500 5.188 4.639 5.560 0.060 15 0 "[ . 1 . 2]" 1 704 1 26 TRP QB 1 27 GLU HG3 . . 5.260 4.716 4.434 5.330 0.070 1 0 "[ . 1 . 2]" 1 705 1 26 TRP QB 1 29 ARG HD2 . . 4.530 4.238 3.182 4.551 0.021 10 0 "[ . 1 . 2]" 1 706 1 26 TRP QB 1 29 ARG HD3 . . 4.600 3.674 3.116 4.621 0.021 9 0 "[ . 1 . 2]" 1 707 1 26 TRP HD1 1 27 GLU H . . 4.320 3.219 2.871 3.690 . 0 0 "[ . 1 . 2]" 1 708 1 26 TRP HD1 1 27 GLU HB2 . . 5.080 4.973 4.651 5.153 0.073 7 0 "[ . 1 . 2]" 1 709 1 26 TRP HE1 1 27 GLU HG3 . . 5.500 3.085 2.716 3.467 . 0 0 "[ . 1 . 2]" 1 710 1 26 TRP HE3 1 27 GLU HA . . 4.170 3.576 3.211 3.910 . 0 0 "[ . 1 . 2]" 1 711 1 26 TRP HE3 1 27 GLU HG2 . . 4.460 4.060 3.574 4.412 . 0 0 "[ . 1 . 2]" 1 712 1 26 TRP HE3 1 30 TYR HB3 . . 4.570 3.969 3.238 4.639 0.069 3 0 "[ . 1 . 2]" 1 713 1 26 TRP HE3 1 82 THR MG . . 4.450 4.225 3.867 4.541 0.091 8 0 "[ . 1 . 2]" 1 714 1 26 TRP HH2 1 27 GLU HA . . 5.010 5.023 4.588 5.091 0.081 8 0 "[ . 1 . 2]" 1 715 1 26 TRP HH2 1 27 GLU HG2 . . 5.200 3.453 3.220 3.811 . 0 0 "[ . 1 . 2]" 1 716 1 26 TRP HH2 1 82 THR MG . . 3.180 2.455 2.127 3.132 . 0 0 "[ . 1 . 2]" 1 717 1 26 TRP HH2 1 86 MET ME . . 4.900 4.189 3.237 4.977 0.077 7 0 "[ . 1 . 2]" 1 718 1 26 TRP HZ2 1 27 GLU HG2 . . 5.020 3.411 2.969 3.899 . 0 0 "[ . 1 . 2]" 1 719 1 26 TRP HZ2 1 27 GLU HG3 . . 4.930 3.345 3.034 3.855 . 0 0 "[ . 1 . 2]" 1 720 1 26 TRP HZ3 1 27 GLU HA . . 4.960 4.132 3.837 4.513 . 0 0 "[ . 1 . 2]" 1 721 1 26 TRP HZ3 1 27 GLU HG2 . . 4.010 3.796 3.156 4.078 0.068 4 0 "[ . 1 . 2]" 1 722 1 26 TRP HZ3 1 27 GLU HG3 . . 5.500 4.942 4.100 5.328 . 0 0 "[ . 1 . 2]" 1 723 1 26 TRP HZ3 1 30 TYR HB3 . . 5.210 4.449 3.544 5.257 0.047 3 0 "[ . 1 . 2]" 1 724 1 26 TRP HZ3 1 82 THR MG . . 3.480 2.312 2.068 2.690 . 0 0 "[ . 1 . 2]" 1 725 1 26 TRP HZ3 1 86 MET ME . . 4.270 3.892 3.142 4.376 0.106 18 0 "[ . 1 . 2]" 1 726 1 27 GLU H 1 27 GLU HB2 . . 3.570 2.410 2.245 2.622 . 0 0 "[ . 1 . 2]" 1 727 1 27 GLU H 1 27 GLU HB3 . . 3.950 3.588 3.522 3.653 . 0 0 "[ . 1 . 2]" 1 728 1 27 GLU H 1 27 GLU HG2 . . 4.610 3.368 2.811 3.841 . 0 0 "[ . 1 . 2]" 1 729 1 27 GLU H 1 27 GLU HG3 . . 4.450 2.473 2.129 2.979 . 0 0 "[ . 1 . 2]" 1 730 1 27 GLU H 1 28 ASP H . . 3.210 2.700 2.425 2.896 . 0 0 "[ . 1 . 2]" 1 731 1 27 GLU H 1 28 ASP HA . . 5.500 5.329 5.113 5.529 0.029 13 0 "[ . 1 . 2]" 1 732 1 27 GLU HA 1 27 GLU HG2 . . 3.840 2.325 2.176 2.454 . 0 0 "[ . 1 . 2]" 1 733 1 27 GLU HA 1 30 TYR H . . 4.200 3.670 3.327 3.990 . 0 0 "[ . 1 . 2]" 1 734 1 27 GLU HA 1 30 TYR HB2 . . 3.980 3.698 3.253 4.039 0.059 10 0 "[ . 1 . 2]" 1 735 1 27 GLU HA 1 30 TYR HB3 . . 4.440 2.581 2.271 2.944 . 0 0 "[ . 1 . 2]" 1 736 1 27 GLU HA 1 30 TYR QD . . 4.410 3.974 3.289 4.414 0.004 8 0 "[ . 1 . 2]" 1 737 1 27 GLU HA 1 31 TYR H . . 4.700 3.782 3.470 4.149 . 0 0 "[ . 1 . 2]" 1 738 1 27 GLU HA 1 31 TYR HB2 . . 5.050 4.771 4.403 5.047 . 0 0 "[ . 1 . 2]" 1 739 1 27 GLU HA 1 86 MET ME . . 3.520 2.379 2.132 2.876 . 0 0 "[ . 1 . 2]" 1 740 1 27 GLU HB2 1 28 ASP H . . 3.200 2.914 2.537 3.151 . 0 0 "[ . 1 . 2]" 1 741 1 27 GLU HB2 1 28 ASP HA . . 5.320 4.635 4.419 4.907 . 0 0 "[ . 1 . 2]" 1 742 1 27 GLU HB2 1 86 MET ME . . 3.750 3.635 3.526 3.840 0.090 12 0 "[ . 1 . 2]" 1 743 1 27 GLU HB3 1 28 ASP H . . 4.260 3.766 3.388 3.980 . 0 0 "[ . 1 . 2]" 1 744 1 27 GLU HB3 1 86 MET ME . . 3.200 2.243 2.095 2.429 . 0 0 "[ . 1 . 2]" 1 745 1 27 GLU HG2 1 86 MET ME . . 4.020 2.460 2.173 3.248 . 0 0 "[ . 1 . 2]" 1 746 1 27 GLU HG3 1 86 MET ME . . 4.750 3.784 3.615 4.223 . 0 0 "[ . 1 . 2]" 1 747 1 28 ASP H 1 28 ASP HB2 . . 3.400 2.482 2.282 2.733 . 0 0 "[ . 1 . 2]" 1 748 1 28 ASP H 1 28 ASP HB3 . . 3.730 2.481 2.229 2.706 . 0 0 "[ . 1 . 2]" 1 749 1 28 ASP H 1 31 TYR H . . 5.300 4.735 4.579 4.911 . 0 0 "[ . 1 . 2]" 1 750 1 28 ASP HA 1 29 ARG HA . . 4.970 4.754 4.644 4.826 . 0 0 "[ . 1 . 2]" 1 751 1 28 ASP HA 1 30 TYR H . . 5.500 4.518 4.312 4.736 . 0 0 "[ . 1 . 2]" 1 752 1 28 ASP HA 1 31 TYR H . . 4.740 3.780 3.492 4.120 . 0 0 "[ . 1 . 2]" 1 753 1 28 ASP HA 1 31 TYR HB2 . . 4.490 3.926 3.573 4.529 0.039 13 0 "[ . 1 . 2]" 1 754 1 28 ASP HA 1 31 TYR HB3 . . 5.030 2.867 2.582 3.218 . 0 0 "[ . 1 . 2]" 1 755 1 28 ASP HA 1 31 TYR QD . . 4.510 4.218 3.812 4.596 0.086 7 0 "[ . 1 . 2]" 1 756 1 28 ASP HA 1 32 ARG H . . 5.280 3.946 3.680 4.079 . 0 0 "[ . 1 . 2]" 1 757 1 28 ASP HA 1 86 MET ME . . 5.500 4.730 4.316 5.518 0.018 12 0 "[ . 1 . 2]" 1 758 1 28 ASP HB3 1 29 ARG H . . 3.300 2.292 2.148 2.485 . 0 0 "[ . 1 . 2]" 1 759 1 28 ASP HB3 1 29 ARG HA . . 5.500 4.267 4.058 4.515 . 0 0 "[ . 1 . 2]" 1 760 1 28 ASP HB3 1 29 ARG HG2 . . 5.500 4.862 4.302 5.273 . 0 0 "[ . 1 . 2]" 1 761 1 29 ARG H 1 29 ARG QB . . 2.970 2.346 2.204 2.479 . 0 0 "[ . 1 . 2]" 1 762 1 29 ARG H 1 29 ARG HD2 . . 4.890 4.159 4.023 4.580 . 0 0 "[ . 1 . 2]" 1 763 1 29 ARG H 1 29 ARG HG2 . . 3.950 2.674 2.332 3.018 . 0 0 "[ . 1 . 2]" 1 764 1 29 ARG H 1 29 ARG HG3 . . 4.740 3.887 3.487 4.197 . 0 0 "[ . 1 . 2]" 1 765 1 29 ARG H 1 30 TYR H . . 3.540 2.813 2.715 2.997 . 0 0 "[ . 1 . 2]" 1 766 1 29 ARG H 1 30 TYR HA . . 5.500 5.426 5.357 5.521 0.021 12 0 "[ . 1 . 2]" 1 767 1 29 ARG H 1 31 TYR H . . 5.070 4.508 4.358 4.833 . 0 0 "[ . 1 . 2]" 1 768 1 29 ARG HA 1 29 ARG HD2 . . 4.850 4.892 4.731 5.533 0.683 9 1 "[ . +1 . 2]" 1 769 1 29 ARG HA 1 29 ARG HG2 . . 4.110 3.776 3.722 3.840 . 0 0 "[ . 1 . 2]" 1 770 1 29 ARG HA 1 29 ARG HG3 . . 4.050 3.700 3.613 3.862 . 0 0 "[ . 1 . 2]" 1 771 1 29 ARG HA 1 31 TYR H . . 5.500 4.725 4.569 4.993 . 0 0 "[ . 1 . 2]" 1 772 1 29 ARG HA 1 32 ARG H . . 4.100 3.599 3.324 3.995 . 0 0 "[ . 1 . 2]" 1 773 1 29 ARG HA 1 32 ARG HB2 . . 4.480 2.876 2.235 4.814 0.334 13 0 "[ . 1 . 2]" 1 774 1 29 ARG HA 1 32 ARG QD . . 5.210 3.184 2.048 4.408 . 0 0 "[ . 1 . 2]" 1 775 1 29 ARG HA 1 32 ARG HE . . 5.500 3.740 3.110 4.405 . 0 0 "[ . 1 . 2]" 1 776 1 29 ARG HA 1 32 ARG HG3 . . 5.140 3.823 2.340 4.716 . 0 0 "[ . 1 . 2]" 1 777 1 29 ARG HA 1 33 GLU H . . 4.770 4.050 3.803 4.761 . 0 0 "[ . 1 . 2]" 1 778 1 29 ARG HA 1 33 GLU HG2 . . 5.230 4.238 3.771 5.276 0.046 8 0 "[ . 1 . 2]" 1 779 1 29 ARG HA 1 33 GLU HG3 . . 5.500 4.692 3.550 5.528 0.028 5 0 "[ . 1 . 2]" 1 780 1 29 ARG QB 1 29 ARG HD2 . . 3.700 2.451 2.279 3.341 . 0 0 "[ . 1 . 2]" 1 781 1 29 ARG QB 1 29 ARG HD3 . . 3.860 3.314 2.707 3.385 . 0 0 "[ . 1 . 2]" 1 782 1 29 ARG QB 1 29 ARG HE . . 4.430 2.641 2.075 3.485 . 0 0 "[ . 1 . 2]" 1 783 1 29 ARG QB 1 30 TYR H . . 3.740 3.505 3.376 3.576 . 0 0 "[ . 1 . 2]" 1 784 1 29 ARG QB 1 32 ARG HE . . 5.140 4.862 4.202 5.235 0.095 14 0 "[ . 1 . 2]" 1 785 1 29 ARG HD3 1 30 TYR H . . 5.320 4.381 4.190 4.516 . 0 0 "[ . 1 . 2]" 1 786 1 29 ARG HD3 1 30 TYR HB2 . . 4.660 4.739 4.721 4.787 0.127 9 0 "[ . 1 . 2]" 1 787 1 29 ARG HE 1 33 GLU HG3 . . 5.500 4.275 3.620 5.571 0.071 9 0 "[ . 1 . 2]" 1 788 1 29 ARG HG2 1 30 TYR H . . 4.900 2.324 2.130 2.547 . 0 0 "[ . 1 . 2]" 1 789 1 29 ARG HG2 1 33 GLU HG3 . . 5.500 5.548 5.350 5.594 0.094 14 0 "[ . 1 . 2]" 1 790 1 29 ARG HG3 1 30 TYR H . . 4.600 2.751 2.291 3.253 . 0 0 "[ . 1 . 2]" 1 791 1 29 ARG HG3 1 30 TYR HA . . 5.500 3.200 3.069 3.340 . 0 0 "[ . 1 . 2]" 1 792 1 29 ARG HG3 1 30 TYR HB2 . . 4.820 3.613 3.169 4.134 . 0 0 "[ . 1 . 2]" 1 793 1 29 ARG HG3 1 33 GLU H . . 5.500 5.158 4.894 5.573 0.073 10 0 "[ . 1 . 2]" 1 794 1 29 ARG HG3 1 33 GLU HG2 . . 5.500 4.787 4.019 5.583 0.083 8 0 "[ . 1 . 2]" 1 795 1 29 ARG HG3 1 33 GLU HG3 . . 5.340 3.946 3.740 4.184 . 0 0 "[ . 1 . 2]" 1 796 1 30 TYR H 1 30 TYR HB2 . . 3.580 2.557 2.453 2.679 . 0 0 "[ . 1 . 2]" 1 797 1 30 TYR H 1 30 TYR HB3 . . 3.510 2.349 2.223 2.425 . 0 0 "[ . 1 . 2]" 1 798 1 30 TYR H 1 30 TYR QD . . 4.470 4.150 4.016 4.217 . 0 0 "[ . 1 . 2]" 1 799 1 30 TYR H 1 31 TYR H . . 3.660 2.726 2.630 2.885 . 0 0 "[ . 1 . 2]" 1 800 1 30 TYR H 1 31 TYR HB3 . . 5.500 4.712 4.539 4.940 . 0 0 "[ . 1 . 2]" 1 801 1 30 TYR H 1 33 GLU HG3 . . 5.500 5.323 4.702 5.571 0.071 4 0 "[ . 1 . 2]" 1 802 1 30 TYR HA 1 30 TYR QD . . 3.430 3.038 2.490 3.324 . 0 0 "[ . 1 . 2]" 1 803 1 30 TYR HA 1 30 TYR QE . . 5.140 4.813 4.402 5.016 . 0 0 "[ . 1 . 2]" 1 804 1 30 TYR HA 1 32 ARG H . . 5.500 4.805 4.570 5.009 . 0 0 "[ . 1 . 2]" 1 805 1 30 TYR HA 1 33 GLU H . . 4.490 3.644 3.328 3.926 . 0 0 "[ . 1 . 2]" 1 806 1 30 TYR HA 1 33 GLU QB . . 3.590 2.872 2.418 3.354 . 0 0 "[ . 1 . 2]" 1 807 1 30 TYR HA 1 33 GLU HG3 . . 5.260 3.695 2.511 4.542 . 0 0 "[ . 1 . 2]" 1 808 1 30 TYR HA 1 34 ASN H . . 5.440 4.639 4.118 5.122 . 0 0 "[ . 1 . 2]" 1 809 1 30 TYR HA 1 34 ASN HD21 . . 4.340 3.304 2.651 4.112 . 0 0 "[ . 1 . 2]" 1 810 1 30 TYR HA 1 34 ASN HD22 . . 4.760 4.009 3.260 4.696 . 0 0 "[ . 1 . 2]" 1 811 1 30 TYR HB2 1 31 TYR H . . 3.970 3.760 3.632 3.914 . 0 0 "[ . 1 . 2]" 1 812 1 30 TYR HB2 1 31 TYR HA . . 5.500 5.575 5.504 5.597 0.097 5 0 "[ . 1 . 2]" 1 813 1 30 TYR HB3 1 31 TYR H . . 4.880 2.347 2.206 2.521 . 0 0 "[ . 1 . 2]" 1 814 1 30 TYR HB3 1 31 TYR HA . . 5.500 4.336 4.268 4.475 . 0 0 "[ . 1 . 2]" 1 815 1 30 TYR HB3 1 86 MET ME . . 5.500 2.946 2.451 3.613 . 0 0 "[ . 1 . 2]" 1 816 1 30 TYR QD 1 31 TYR H . . 3.900 2.804 2.714 2.974 . 0 0 "[ . 1 . 2]" 1 817 1 30 TYR QD 1 31 TYR HA . . 3.680 2.833 2.547 3.313 . 0 0 "[ . 1 . 2]" 1 818 1 30 TYR QD 1 31 TYR HB3 . . 4.530 4.527 4.350 4.618 0.088 12 0 "[ . 1 . 2]" 1 819 1 30 TYR QD 1 33 GLU H . . 5.500 5.408 5.036 5.584 0.084 4 0 "[ . 1 . 2]" 1 820 1 30 TYR QD 1 33 GLU QB . . 4.900 4.646 3.738 5.003 0.103 13 0 "[ . 1 . 2]" 1 821 1 30 TYR QD 1 34 ASN H . . 5.110 5.065 4.571 5.208 0.098 10 0 "[ . 1 . 2]" 1 822 1 30 TYR QD 1 34 ASN QB . . 4.700 4.023 3.509 4.580 . 0 0 "[ . 1 . 2]" 1 823 1 30 TYR QD 1 34 ASN HD21 . . 5.410 3.610 2.705 4.223 . 0 0 "[ . 1 . 2]" 1 824 1 30 TYR QD 1 34 ASN HD22 . . 5.210 4.037 2.672 5.259 0.049 19 0 "[ . 1 . 2]" 1 825 1 30 TYR QD 1 82 THR MG . . 3.580 3.464 3.136 3.697 0.117 4 0 "[ . 1 . 2]" 1 826 1 30 TYR QD 1 86 MET ME . . 3.130 2.204 1.950 2.522 . 0 0 "[ . 1 . 2]" 1 827 1 30 TYR QD 1 86 MET QG . . 3.830 2.828 2.508 3.257 . 0 0 "[ . 1 . 2]" 1 828 1 30 TYR QE 1 31 TYR H . . 4.940 5.009 4.821 5.037 0.097 2 0 "[ . 1 . 2]" 1 829 1 30 TYR QE 1 31 TYR HA . . 4.420 4.041 3.739 4.399 . 0 0 "[ . 1 . 2]" 1 830 1 30 TYR QE 1 34 ASN QB . . 4.340 3.734 2.908 4.153 . 0 0 "[ . 1 . 2]" 1 831 1 30 TYR QE 1 82 THR HB . . 5.500 3.600 3.097 4.723 . 0 0 "[ . 1 . 2]" 1 832 1 30 TYR QE 1 82 THR MG . . 3.380 2.970 2.725 3.326 . 0 0 "[ . 1 . 2]" 1 833 1 30 TYR QE 1 83 ASP HA . . 3.800 2.655 2.293 3.405 . 0 0 "[ . 1 . 2]" 1 834 1 30 TYR QE 1 86 MET HB2 . . 4.060 4.135 3.933 4.166 0.106 5 0 "[ . 1 . 2]" 1 835 1 30 TYR QE 1 86 MET ME . . 3.830 3.076 2.420 3.347 . 0 0 "[ . 1 . 2]" 1 836 1 30 TYR QE 1 86 MET QG . . 3.720 2.414 2.021 2.693 . 0 0 "[ . 1 . 2]" 1 837 1 31 TYR H 1 31 TYR HB2 . . 3.540 2.495 2.381 2.640 . 0 0 "[ . 1 . 2]" 1 838 1 31 TYR H 1 31 TYR HB3 . . 3.580 2.473 2.336 2.591 . 0 0 "[ . 1 . 2]" 1 839 1 31 TYR H 1 31 TYR QD . . 4.520 4.148 4.094 4.229 . 0 0 "[ . 1 . 2]" 1 840 1 31 TYR H 1 32 ARG H . . 3.800 2.958 2.780 3.136 . 0 0 "[ . 1 . 2]" 1 841 1 31 TYR H 1 33 GLU H . . 5.500 4.333 4.203 4.445 . 0 0 "[ . 1 . 2]" 1 842 1 31 TYR H 1 33 GLU QB . . 5.380 5.189 4.955 5.462 0.082 10 0 "[ . 1 . 2]" 1 843 1 31 TYR H 1 34 ASN HD21 . . 5.500 5.066 4.321 5.573 0.073 11 0 "[ . 1 . 2]" 1 844 1 31 TYR H 1 86 MET ME . . 3.910 3.135 2.339 4.007 0.097 18 0 "[ . 1 . 2]" 1 845 1 31 TYR HA 1 31 TYR QD . . 3.100 2.715 2.341 3.004 . 0 0 "[ . 1 . 2]" 1 846 1 31 TYR HA 1 31 TYR QE . . 5.120 4.528 4.343 4.685 . 0 0 "[ . 1 . 2]" 1 847 1 31 TYR HA 1 34 ASN H . . 4.010 3.532 3.376 3.747 . 0 0 "[ . 1 . 2]" 1 848 1 31 TYR HA 1 34 ASN QB . . 5.260 3.556 2.975 4.686 . 0 0 "[ . 1 . 2]" 1 849 1 31 TYR HA 1 34 ASN HD21 . . 5.500 4.301 2.934 5.146 . 0 0 "[ . 1 . 2]" 1 850 1 31 TYR HA 1 35 MET HB3 . . 5.310 4.304 3.761 4.818 . 0 0 "[ . 1 . 2]" 1 851 1 31 TYR HA 1 38 TYR QE . . 3.730 3.678 3.281 3.836 0.106 5 0 "[ . 1 . 2]" 1 852 1 31 TYR HA 1 86 MET ME . . 5.450 3.667 2.861 4.593 . 0 0 "[ . 1 . 2]" 1 853 1 31 TYR HB2 1 32 ARG H . . 3.830 3.819 3.688 3.900 0.070 5 0 "[ . 1 . 2]" 1 854 1 31 TYR HB2 1 86 MET ME . . 4.850 2.603 2.126 3.601 . 0 0 "[ . 1 . 2]" 1 855 1 31 TYR HB3 1 32 ARG H . . 4.560 2.416 2.280 2.549 . 0 0 "[ . 1 . 2]" 1 856 1 31 TYR HB3 1 86 MET ME . . 5.250 3.937 3.401 4.816 . 0 0 "[ . 1 . 2]" 1 857 1 31 TYR QD 1 32 ARG H . . 3.860 3.030 2.691 3.375 . 0 0 "[ . 1 . 2]" 1 858 1 31 TYR QD 1 32 ARG HA . . 4.190 3.234 2.965 3.683 . 0 0 "[ . 1 . 2]" 1 859 1 31 TYR QD 1 32 ARG HG2 . . 5.120 3.644 3.055 4.506 . 0 0 "[ . 1 . 2]" 1 860 1 31 TYR QD 1 32 ARG HG3 . . 4.420 3.041 2.360 4.895 0.475 8 0 "[ . 1 . 2]" 1 861 1 31 TYR QD 1 38 TYR QE . . 3.190 2.666 2.340 3.051 . 0 0 "[ . 1 . 2]" 1 862 1 31 TYR QD 1 86 MET H . . 5.500 5.520 5.322 5.593 0.093 6 0 "[ . 1 . 2]" 1 863 1 31 TYR QD 1 86 MET HB2 . . 3.790 3.075 2.645 3.370 . 0 0 "[ . 1 . 2]" 1 864 1 31 TYR QD 1 86 MET HB3 . . 3.400 2.134 2.065 2.224 . 0 0 "[ . 1 . 2]" 1 865 1 31 TYR QD 1 86 MET ME . . 4.440 3.723 3.142 4.497 0.057 18 0 "[ . 1 . 2]" 1 866 1 31 TYR QD 1 86 MET QG . . 5.500 3.247 2.814 3.620 . 0 0 "[ . 1 . 2]" 1 867 1 31 TYR QD 1 87 MET H . . 5.080 5.121 4.924 5.181 0.101 18 0 "[ . 1 . 2]" 1 868 1 31 TYR QD 1 90 VAL QG . . 4.070 3.651 3.404 3.996 . 0 0 "[ . 1 . 2]" 1 869 1 31 TYR QE 1 32 ARG H . . 5.500 5.100 4.880 5.519 0.019 7 0 "[ . 1 . 2]" 1 870 1 31 TYR QE 1 32 ARG HA . . 4.800 4.131 3.721 4.861 0.061 7 0 "[ . 1 . 2]" 1 871 1 31 TYR QE 1 35 MET HB2 . . 5.500 3.192 2.751 3.772 . 0 0 "[ . 1 . 2]" 1 872 1 31 TYR QE 1 35 MET ME . . 3.460 2.559 2.050 3.451 . 0 0 "[ . 1 . 2]" 1 873 1 31 TYR QE 1 35 MET QG . . 4.810 4.313 3.672 4.650 . 0 0 "[ . 1 . 2]" 1 874 1 31 TYR QE 1 38 TYR QD . . 2.920 2.738 2.390 3.028 0.108 16 0 "[ . 1 . 2]" 1 875 1 31 TYR QE 1 86 MET QG . . 5.500 4.925 4.549 5.256 . 0 0 "[ . 1 . 2]" 1 876 1 31 TYR QE 1 90 VAL H . . 4.540 4.616 4.446 4.643 0.103 20 0 "[ . 1 . 2]" 1 877 1 31 TYR QE 1 90 VAL HB . . 5.350 4.326 3.848 4.574 . 0 0 "[ . 1 . 2]" 1 878 1 31 TYR QE 1 90 VAL QG . . 3.090 1.970 1.844 2.172 . 0 0 "[ . 1 . 2]" 1 879 1 32 ARG H 1 32 ARG HB2 . . 3.840 2.578 2.268 3.670 . 0 0 "[ . 1 . 2]" 1 880 1 32 ARG H 1 32 ARG HB3 . . 3.590 3.524 2.600 3.656 0.066 5 0 "[ . 1 . 2]" 1 881 1 32 ARG H 1 32 ARG QD . . 5.200 3.846 3.058 4.341 . 0 0 "[ . 1 . 2]" 1 882 1 32 ARG H 1 32 ARG HG2 . . 4.340 3.509 2.590 4.015 . 0 0 "[ . 1 . 2]" 1 883 1 32 ARG H 1 32 ARG HG3 . . 4.340 2.336 2.080 2.694 . 0 0 "[ . 1 . 2]" 1 884 1 32 ARG H 1 34 ASN H . . 4.810 4.217 4.039 4.345 . 0 0 "[ . 1 . 2]" 1 885 1 32 ARG HA 1 32 ARG HG2 . . 3.330 2.690 2.313 4.016 0.686 13 2 "[ . - 1 + . 2]" 1 886 1 32 ARG HA 1 34 ASN H . . 5.280 4.039 3.639 4.449 . 0 0 "[ . 1 . 2]" 1 887 1 32 ARG HA 1 35 MET H . . 4.840 3.644 3.244 4.281 . 0 0 "[ . 1 . 2]" 1 888 1 32 ARG HA 1 35 MET HB3 . . 5.060 2.988 2.102 3.599 . 0 0 "[ . 1 . 2]" 1 889 1 32 ARG HA 1 35 MET ME . . 4.120 3.440 1.993 4.203 0.083 9 0 "[ . 1 . 2]" 1 890 1 32 ARG HA 1 35 MET QG . . 4.540 3.054 2.565 3.868 . 0 0 "[ . 1 . 2]" 1 891 1 32 ARG HB2 1 33 GLU HG3 . . 5.500 4.931 4.206 5.223 . 0 0 "[ . 1 . 2]" 1 892 1 32 ARG HB3 1 32 ARG HE . . 5.500 3.801 2.436 4.786 . 0 0 "[ . 1 . 2]" 1 893 1 32 ARG HB3 1 34 ASN H . . 5.500 5.383 5.097 5.665 0.165 13 0 "[ . 1 . 2]" 1 894 1 32 ARG QD 1 33 GLU H . . 5.380 4.800 3.290 5.198 . 0 0 "[ . 1 . 2]" 1 895 1 33 GLU H 1 33 GLU QB . . 3.080 2.337 2.229 2.584 . 0 0 "[ . 1 . 2]" 1 896 1 33 GLU H 1 33 GLU HG2 . . 4.050 2.575 2.242 3.626 . 0 0 "[ . 1 . 2]" 1 897 1 33 GLU H 1 33 GLU HG3 . . 3.610 3.313 2.396 3.592 . 0 0 "[ . 1 . 2]" 1 898 1 33 GLU H 1 34 ASN H . . 3.480 2.685 2.436 2.899 . 0 0 "[ . 1 . 2]" 1 899 1 33 GLU H 1 34 ASN HD21 . . 5.340 4.179 3.523 5.137 . 0 0 "[ . 1 . 2]" 1 900 1 33 GLU H 1 34 ASN HD22 . . 5.500 5.142 4.375 5.559 0.059 19 0 "[ . 1 . 2]" 1 901 1 33 GLU HA 1 33 GLU HG2 . . 3.530 2.680 2.275 2.909 . 0 0 "[ . 1 . 2]" 1 902 1 33 GLU HA 1 33 GLU HG3 . . 3.820 3.679 2.945 3.879 0.059 12 0 "[ . 1 . 2]" 1 903 1 33 GLU HA 1 35 MET H . . 4.780 4.441 3.939 4.801 0.021 7 0 "[ . 1 . 2]" 1 904 1 33 GLU HA 1 36 TYR QE . . 5.000 4.474 3.041 5.092 0.092 15 0 "[ . 1 . 2]" 1 905 1 33 GLU QB 1 34 ASN H . . 3.770 3.061 2.778 3.579 . 0 0 "[ . 1 . 2]" 1 906 1 33 GLU QB 1 34 ASN QB . . 5.230 3.939 3.304 4.600 . 0 0 "[ . 1 . 2]" 1 907 1 33 GLU QB 1 34 ASN HD21 . . 4.580 2.837 2.414 3.904 . 0 0 "[ . 1 . 2]" 1 908 1 33 GLU QB 1 34 ASN HD22 . . 4.770 3.158 2.599 4.378 . 0 0 "[ . 1 . 2]" 1 909 1 33 GLU HG3 1 34 ASN H . . 5.460 5.186 4.667 5.486 0.026 17 0 "[ . 1 . 2]" 1 910 1 33 GLU HG3 1 34 ASN HD22 . . 5.500 5.184 4.276 5.590 0.090 9 0 "[ . 1 . 2]" 1 911 1 34 ASN H 1 34 ASN QB . . 3.630 2.620 2.249 3.096 . 0 0 "[ . 1 . 2]" 1 912 1 34 ASN H 1 34 ASN HD21 . . 4.020 3.083 2.381 3.646 . 0 0 "[ . 1 . 2]" 1 913 1 34 ASN H 1 34 ASN HD22 . . 4.530 4.222 3.222 4.596 0.066 11 0 "[ . 1 . 2]" 1 914 1 34 ASN H 1 35 MET H . . 3.210 2.340 1.957 2.951 . 0 0 "[ . 1 . 2]" 1 915 1 34 ASN H 1 35 MET HA . . 5.330 4.372 4.012 4.731 . 0 0 "[ . 1 . 2]" 1 916 1 34 ASN H 1 35 MET HB3 . . 5.010 4.114 3.533 4.547 . 0 0 "[ . 1 . 2]" 1 917 1 34 ASN HA 1 35 MET HA . . 4.570 4.643 4.500 4.661 0.091 7 0 "[ . 1 . 2]" 1 918 1 34 ASN HA 1 36 TYR QD . . 3.670 3.289 2.527 3.769 0.099 7 0 "[ . 1 . 2]" 1 919 1 34 ASN HA 1 36 TYR QE . . 3.350 2.527 2.075 2.917 . 0 0 "[ . 1 . 2]" 1 920 1 34 ASN HA 1 37 ARG QD . . 5.020 3.425 2.433 4.560 . 0 0 "[ . 1 . 2]" 1 921 1 34 ASN HA 1 37 ARG HG3 . . 5.500 3.977 2.519 5.568 0.068 18 0 "[ . 1 . 2]" 1 922 1 34 ASN QB 1 35 MET H . . 4.700 3.691 3.375 4.076 . 0 0 "[ . 1 . 2]" 1 923 1 34 ASN QB 1 35 MET HA . . 5.500 4.165 3.801 4.676 . 0 0 "[ . 1 . 2]" 1 924 1 34 ASN QB 1 36 TYR QE . . 5.160 4.238 3.688 4.693 . 0 0 "[ . 1 . 2]" 1 925 1 34 ASN QB 1 37 ARG QD . . 5.220 2.836 2.028 3.611 . 0 0 "[ . 1 . 2]" 1 926 1 34 ASN HD21 1 35 MET H . . 5.500 5.166 4.350 5.562 0.062 15 0 "[ . 1 . 2]" 1 927 1 35 MET H 1 35 MET HB2 . . 4.090 3.586 3.511 3.699 . 0 0 "[ . 1 . 2]" 1 928 1 35 MET H 1 35 MET HB3 . . 3.650 2.504 2.232 3.013 . 0 0 "[ . 1 . 2]" 1 929 1 35 MET H 1 35 MET ME . . 4.830 4.443 3.712 4.818 . 0 0 "[ . 1 . 2]" 1 930 1 35 MET H 1 35 MET QG . . 3.670 2.277 1.910 2.668 . 0 0 "[ . 1 . 2]" 1 931 1 35 MET H 1 36 TYR H . . 4.470 2.914 2.133 3.237 . 0 0 "[ . 1 . 2]" 1 932 1 35 MET H 1 36 TYR QD . . 5.500 3.494 2.626 4.124 . 0 0 "[ . 1 . 2]" 1 933 1 35 MET H 1 36 TYR QE . . 5.390 4.432 3.618 5.013 . 0 0 "[ . 1 . 2]" 1 934 1 35 MET H 1 38 TYR QE . . 5.090 4.713 4.155 5.174 0.084 11 0 "[ . 1 . 2]" 1 935 1 35 MET HA 1 37 ARG H . . 4.900 3.755 3.362 4.054 . 0 0 "[ . 1 . 2]" 1 936 1 35 MET HA 1 38 TYR H . . 4.520 3.967 3.520 4.424 . 0 0 "[ . 1 . 2]" 1 937 1 35 MET HA 1 38 TYR QD . . 2.960 2.743 2.277 3.045 0.085 2 0 "[ . 1 . 2]" 1 938 1 35 MET HA 1 38 TYR QE . . 3.720 2.647 2.144 3.339 . 0 0 "[ . 1 . 2]" 1 939 1 35 MET HB2 1 35 MET ME . . 3.120 2.527 2.064 3.234 0.114 1 0 "[ . 1 . 2]" 1 940 1 35 MET HB2 1 36 TYR H . . 5.210 4.191 3.824 4.422 . 0 0 "[ . 1 . 2]" 1 941 1 35 MET HB3 1 35 MET ME . . 4.620 2.902 2.439 3.481 . 0 0 "[ . 1 . 2]" 1 942 1 35 MET HB3 1 36 TYR H . . 4.740 4.314 3.996 4.575 . 0 0 "[ . 1 . 2]" 1 943 1 35 MET ME 1 35 MET QG . . 2.640 2.219 1.920 2.630 . 0 0 "[ . 1 . 2]" 1 944 1 35 MET ME 1 36 TYR QD . . 5.500 5.575 5.100 5.643 0.143 14 0 "[ . 1 . 2]" 1 945 1 35 MET QG 1 36 TYR H . . 4.260 2.760 2.203 3.809 . 0 0 "[ . 1 . 2]" 1 946 1 35 MET QG 1 36 TYR HA . . 5.480 3.591 3.192 4.354 . 0 0 "[ . 1 . 2]" 1 947 1 35 MET QG 1 36 TYR HB2 . . 5.500 4.852 4.462 5.315 . 0 0 "[ . 1 . 2]" 1 948 1 35 MET QG 1 36 TYR QD . . 4.150 3.276 2.734 3.774 . 0 0 "[ . 1 . 2]" 1 949 1 36 TYR H 1 36 TYR HB3 . . 3.590 2.650 2.302 3.233 . 0 0 "[ . 1 . 2]" 1 950 1 36 TYR H 1 36 TYR QD . . 2.850 2.121 1.746 2.941 0.091 16 0 "[ . 1 . 2]" 1 951 1 36 TYR H 1 36 TYR QE . . 4.770 3.889 3.676 4.163 . 0 0 "[ . 1 . 2]" 1 952 1 36 TYR H 1 37 ARG HE . . 5.370 5.262 4.064 5.463 0.093 10 0 "[ . 1 . 2]" 1 953 1 36 TYR H 1 37 ARG HG3 . . 5.500 4.501 3.725 5.549 0.049 18 0 "[ . 1 . 2]" 1 954 1 36 TYR HA 1 36 TYR QD . . 4.560 3.754 3.732 3.790 . 0 0 "[ . 1 . 2]" 1 955 1 36 TYR HA 1 38 TYR H . . 4.750 4.015 3.496 4.517 . 0 0 "[ . 1 . 2]" 1 956 1 36 TYR QD 1 37 ARG HA . . 5.500 3.303 2.861 3.983 . 0 0 "[ . 1 . 2]" 1 957 1 36 TYR QD 1 37 ARG QD . . 4.620 4.018 3.293 4.490 . 0 0 "[ . 1 . 2]" 1 958 1 36 TYR QD 1 37 ARG HE . . 4.300 4.013 2.716 4.403 0.103 4 0 "[ . 1 . 2]" 1 959 1 36 TYR QD 1 37 ARG HG3 . . 4.290 3.516 2.578 4.397 0.107 13 0 "[ . 1 . 2]" 1 960 1 36 TYR QE 1 37 ARG H . . 5.500 4.307 4.048 4.699 . 0 0 "[ . 1 . 2]" 1 961 1 36 TYR QE 1 37 ARG HA . . 4.910 4.287 3.679 4.906 . 0 0 "[ . 1 . 2]" 1 962 1 36 TYR QE 1 37 ARG QD . . 4.240 3.230 2.376 3.967 . 0 0 "[ . 1 . 2]" 1 963 1 36 TYR QE 1 37 ARG HE . . 5.280 2.845 2.137 4.093 . 0 0 "[ . 1 . 2]" 1 964 1 36 TYR QE 1 37 ARG HG2 . . 3.870 3.369 2.451 3.948 0.078 18 0 "[ . 1 . 2]" 1 965 1 36 TYR QE 1 37 ARG HG3 . . 4.050 3.150 2.383 4.130 0.080 10 0 "[ . 1 . 2]" 1 966 1 37 ARG H 1 37 ARG HB2 . . 3.580 2.505 2.250 2.664 . 0 0 "[ . 1 . 2]" 1 967 1 37 ARG H 1 37 ARG HB3 . . 4.140 3.589 3.469 3.709 . 0 0 "[ . 1 . 2]" 1 968 1 37 ARG H 1 37 ARG QD . . 4.690 3.337 2.099 4.217 . 0 0 "[ . 1 . 2]" 1 969 1 37 ARG H 1 37 ARG HG2 . . 4.890 3.295 2.132 4.259 . 0 0 "[ . 1 . 2]" 1 970 1 37 ARG H 1 37 ARG HG3 . . 3.820 2.832 2.085 3.394 . 0 0 "[ . 1 . 2]" 1 971 1 37 ARG H 1 38 TYR H . . 3.440 2.534 2.190 2.726 . 0 0 "[ . 1 . 2]" 1 972 1 37 ARG HA 1 37 ARG HE . . 5.250 4.433 2.474 5.337 0.087 15 0 "[ . 1 . 2]" 1 973 1 37 ARG HA 1 37 ARG HG2 . . 3.630 3.008 2.448 3.605 . 0 0 "[ . 1 . 2]" 1 974 1 37 ARG HA 1 37 ARG HG3 . . 4.090 3.068 2.272 3.886 . 0 0 "[ . 1 . 2]" 1 975 1 37 ARG HA 1 79 PHE HZ . . 5.380 4.277 3.682 5.408 0.028 18 0 "[ . 1 . 2]" 1 976 1 37 ARG HB2 1 38 TYR H . . 4.500 2.863 2.442 3.414 . 0 0 "[ . 1 . 2]" 1 977 1 37 ARG HB2 1 38 TYR QD . . 5.500 3.660 3.326 4.070 . 0 0 "[ . 1 . 2]" 1 978 1 37 ARG HB3 1 37 ARG HE . . 5.070 4.373 3.271 5.135 0.065 9 0 "[ . 1 . 2]" 1 979 1 37 ARG HB3 1 38 TYR H . . 5.040 3.866 3.587 4.281 . 0 0 "[ . 1 . 2]" 1 980 1 37 ARG HB3 1 38 TYR QD . . 5.500 4.286 3.852 4.755 . 0 0 "[ . 1 . 2]" 1 981 1 37 ARG HB3 1 79 PHE QE . . 4.130 2.531 2.098 3.763 . 0 0 "[ . 1 . 2]" 1 982 1 37 ARG HB3 1 79 PHE HZ . . 3.910 2.779 2.151 3.954 0.044 16 0 "[ . 1 . 2]" 1 983 1 37 ARG HG2 1 79 PHE QE . . 4.960 4.387 3.009 5.065 0.105 16 0 "[ . 1 . 2]" 1 984 1 37 ARG HG3 1 38 TYR H . . 5.500 4.663 4.157 5.348 . 0 0 "[ . 1 . 2]" 1 985 1 37 ARG QH2 1 79 PHE QD . . 4.370 6.172 3.670 7.059 2.689 8 18 "[*-* ***+********* **]" 1 986 1 38 TYR H 1 38 TYR QB . . 3.500 2.518 2.353 2.696 . 0 0 "[ . 1 . 2]" 1 987 1 38 TYR H 1 38 TYR QD . . 4.380 3.092 2.942 3.275 . 0 0 "[ . 1 . 2]" 1 988 1 38 TYR H 1 38 TYR QE . . 5.500 4.334 4.122 4.608 . 0 0 "[ . 1 . 2]" 1 989 1 38 TYR HA 1 38 TYR QD . . 2.750 2.354 2.158 2.678 . 0 0 "[ . 1 . 2]" 1 990 1 38 TYR HA 1 38 TYR QE . . 5.300 4.584 4.351 4.850 . 0 0 "[ . 1 . 2]" 1 991 1 38 TYR HA 1 39 PRO HD2 . . 3.970 2.596 2.335 2.862 . 0 0 "[ . 1 . 2]" 1 992 1 38 TYR HA 1 39 PRO HD3 . . 3.630 2.235 2.055 2.395 . 0 0 "[ . 1 . 2]" 1 993 1 38 TYR HA 1 39 PRO HG2 . . 5.500 4.624 4.511 4.732 . 0 0 "[ . 1 . 2]" 1 994 1 38 TYR HA 1 39 PRO HG3 . . 5.430 4.460 4.233 4.661 . 0 0 "[ . 1 . 2]" 1 995 1 38 TYR HA 1 68 HIS HE1 . . 4.850 3.675 3.088 4.599 . 0 0 "[ . 1 . 2]" 1 996 1 38 TYR HA 1 79 PHE QE . . 4.460 4.187 3.581 4.545 0.085 12 0 "[ . 1 . 2]" 1 997 1 38 TYR HA 1 87 MET ME . . 5.500 5.267 4.591 5.602 0.102 19 0 "[ . 1 . 2]" 1 998 1 38 TYR QB 1 39 PRO HD3 . . 4.930 3.521 3.158 4.076 . 0 0 "[ . 1 . 2]" 1 999 1 38 TYR QB 1 68 HIS HE1 . . 5.400 4.004 2.941 5.057 . 0 0 "[ . 1 . 2]" 1 1000 1 38 TYR QB 1 90 VAL QG . . 4.170 2.036 1.893 2.234 . 0 0 "[ . 1 . 2]" 1 1001 1 38 TYR QD 1 39 PRO HD2 . . 5.080 3.979 3.620 4.199 . 0 0 "[ . 1 . 2]" 1 1002 1 38 TYR QD 1 39 PRO HD3 . . 4.910 4.025 3.641 4.465 . 0 0 "[ . 1 . 2]" 1 1003 1 38 TYR QD 1 79 PHE QD . . 4.590 4.293 3.596 4.692 0.102 16 0 "[ . 1 . 2]" 1 1004 1 38 TYR QD 1 79 PHE QE . . 4.460 3.092 2.470 4.326 . 0 0 "[ . 1 . 2]" 1 1005 1 38 TYR QD 1 83 ASP HB3 . . 5.300 4.683 4.432 4.986 . 0 0 "[ . 1 . 2]" 1 1006 1 38 TYR QD 1 87 MET H . . 4.660 4.655 3.996 4.756 0.096 19 0 "[ . 1 . 2]" 1 1007 1 38 TYR QD 1 87 MET HB3 . . 3.780 2.715 2.042 3.059 . 0 0 "[ . 1 . 2]" 1 1008 1 38 TYR QD 1 87 MET ME . . 4.880 3.976 3.021 4.291 . 0 0 "[ . 1 . 2]" 1 1009 1 38 TYR QD 1 87 MET QG . . 5.340 3.908 3.164 4.397 . 0 0 "[ . 1 . 2]" 1 1010 1 38 TYR QD 1 90 VAL H . . 5.500 5.585 5.537 5.608 0.108 10 0 "[ . 1 . 2]" 1 1011 1 38 TYR QD 1 90 VAL HB . . 4.400 4.171 3.963 4.330 . 0 0 "[ . 1 . 2]" 1 1012 1 38 TYR QD 1 90 VAL QG . . 3.300 2.227 2.101 2.678 . 0 0 "[ . 1 . 2]" 1 1013 1 38 TYR QD 1 91 VAL MG2 . . 5.500 4.875 4.613 5.299 . 0 0 "[ . 1 . 2]" 1 1014 1 38 TYR QE 1 79 PHE QD . . 3.860 2.874 2.317 3.963 0.103 16 0 "[ . 1 . 2]" 1 1015 1 38 TYR QE 1 79 PHE QE . . 5.090 2.689 2.354 4.545 . 0 0 "[ . 1 . 2]" 1 1016 1 38 TYR QE 1 83 ASP HA . . 4.060 3.748 3.438 4.109 0.049 2 0 "[ . 1 . 2]" 1 1017 1 38 TYR QE 1 83 ASP HB2 . . 5.500 4.121 3.880 4.837 . 0 0 "[ . 1 . 2]" 1 1018 1 38 TYR QE 1 83 ASP HB3 . . 3.220 2.490 2.208 3.280 0.060 16 0 "[ . 1 . 2]" 1 1019 1 38 TYR QE 1 86 MET H . . 5.140 5.077 4.294 5.231 0.091 8 0 "[ . 1 . 2]" 1 1020 1 38 TYR QE 1 86 MET HB2 . . 3.600 3.220 2.838 3.686 0.086 6 0 "[ . 1 . 2]" 1 1021 1 38 TYR QE 1 86 MET HB3 . . 5.020 3.734 3.040 4.072 . 0 0 "[ . 1 . 2]" 1 1022 1 38 TYR QE 1 87 MET H . . 4.470 3.796 2.716 4.040 . 0 0 "[ . 1 . 2]" 1 1023 1 38 TYR QE 1 87 MET HB3 . . 3.350 2.908 2.481 3.396 0.046 3 0 "[ . 1 . 2]" 1 1024 1 38 TYR QE 1 87 MET ME . . 4.070 4.063 3.512 4.222 0.152 16 0 "[ . 1 . 2]" 1 1025 1 38 TYR QE 1 87 MET QG . . 5.300 3.444 2.980 4.215 . 0 0 "[ . 1 . 2]" 1 1026 1 38 TYR QE 1 90 VAL HB . . 5.500 5.409 5.006 5.607 0.107 6 0 "[ . 1 . 2]" 1 1027 1 38 TYR QE 1 90 VAL QG . . 3.700 3.278 3.019 3.614 . 0 0 "[ . 1 . 2]" 1 1028 1 39 PRO HA 1 40 ASN H . . 2.990 2.442 2.172 2.685 . 0 0 "[ . 1 . 2]" 1 1029 1 39 PRO HA 1 41 GLN H . . 4.010 3.939 3.647 4.088 0.078 12 0 "[ . 1 . 2]" 1 1030 1 39 PRO HA 1 94 MET ME . . 4.920 4.839 4.393 5.020 0.100 9 0 "[ . 1 . 2]" 1 1031 1 39 PRO HB2 1 40 ASN H . . 4.300 3.066 2.770 3.438 . 0 0 "[ . 1 . 2]" 1 1032 1 39 PRO HB2 1 41 GLN H . . 3.600 2.201 1.872 2.443 . 0 0 "[ . 1 . 2]" 1 1033 1 39 PRO HB2 1 64 THR MG . . 3.960 3.693 3.010 4.046 0.086 4 0 "[ . 1 . 2]" 1 1034 1 39 PRO HB2 1 91 VAL MG2 . . 4.700 4.234 3.553 4.707 0.007 6 0 "[ . 1 . 2]" 1 1035 1 39 PRO HB3 1 40 ASN H . . 3.910 3.508 3.018 3.966 0.056 9 0 "[ . 1 . 2]" 1 1036 1 39 PRO HB3 1 41 GLN H . . 4.210 3.694 2.778 4.133 . 0 0 "[ . 1 . 2]" 1 1037 1 39 PRO HB3 1 64 THR MG . . 5.500 4.473 3.700 4.987 . 0 0 "[ . 1 . 2]" 1 1038 1 39 PRO HB3 1 91 VAL MG2 . . 5.270 5.207 4.767 5.371 0.101 19 0 "[ . 1 . 2]" 1 1039 1 39 PRO HD2 1 64 THR MG . . 5.500 4.299 4.007 4.847 . 0 0 "[ . 1 . 2]" 1 1040 1 39 PRO HD2 1 68 HIS HD2 . . 4.250 3.807 3.267 4.249 . 0 0 "[ . 1 . 2]" 1 1041 1 39 PRO HD2 1 90 VAL QG . . 5.500 3.525 3.102 3.936 . 0 0 "[ . 1 . 2]" 1 1042 1 39 PRO HD2 1 91 VAL HA . . 5.500 5.513 4.998 5.586 0.086 9 0 "[ . 1 . 2]" 1 1043 1 39 PRO HD2 1 91 VAL MG2 . . 4.870 3.054 2.900 3.348 . 0 0 "[ . 1 . 2]" 1 1044 1 39 PRO HD3 1 68 HIS HD2 . . 5.200 3.855 3.253 4.704 . 0 0 "[ . 1 . 2]" 1 1045 1 39 PRO HD3 1 68 HIS HE1 . . 4.700 3.929 3.146 4.458 . 0 0 "[ . 1 . 2]" 1 1046 1 39 PRO HD3 1 79 PHE QE . . 4.950 4.829 4.521 5.061 0.111 18 0 "[ . 1 . 2]" 1 1047 1 39 PRO HD3 1 90 VAL QG . . 5.500 4.790 4.364 5.203 . 0 0 "[ . 1 . 2]" 1 1048 1 39 PRO HD3 1 91 VAL MG2 . . 5.380 4.325 4.085 4.710 . 0 0 "[ . 1 . 2]" 1 1049 1 39 PRO HG2 1 68 HIS HB3 . . 5.500 3.739 3.095 4.054 . 0 0 "[ . 1 . 2]" 1 1050 1 39 PRO HG2 1 68 HIS HD2 . . 5.500 3.092 2.386 3.432 . 0 0 "[ . 1 . 2]" 1 1051 1 39 PRO HG2 1 90 VAL QG . . 4.710 4.583 3.801 4.746 0.036 15 0 "[ . 1 . 2]" 1 1052 1 39 PRO HG2 1 91 VAL MG2 . . 4.500 2.911 2.460 3.262 . 0 0 "[ . 1 . 2]" 1 1053 1 39 PRO HG3 1 40 ASN H . . 5.500 5.380 5.054 5.591 0.091 9 0 "[ . 1 . 2]" 1 1054 1 39 PRO HG3 1 68 HIS H . . 5.500 4.448 3.907 5.314 . 0 0 "[ . 1 . 2]" 1 1055 1 39 PRO HG3 1 68 HIS HA . . 4.590 4.672 4.644 4.683 0.093 8 0 "[ . 1 . 2]" 1 1056 1 39 PRO HG3 1 68 HIS HB2 . . 5.500 3.194 2.687 3.496 . 0 0 "[ . 1 . 2]" 1 1057 1 39 PRO HG3 1 68 HIS HB3 . . 5.500 2.396 2.222 2.741 . 0 0 "[ . 1 . 2]" 1 1058 1 39 PRO HG3 1 68 HIS HD2 . . 4.020 3.062 2.456 4.084 0.064 4 0 "[ . 1 . 2]" 1 1059 1 39 PRO HG3 1 91 VAL MG2 . . 5.290 4.197 3.512 4.705 . 0 0 "[ . 1 . 2]" 1 1060 1 40 ASN H 1 40 ASN HD21 . . 5.500 4.733 3.283 5.215 . 0 0 "[ . 1 . 2]" 1 1061 1 40 ASN H 1 41 GLN H . . 3.060 2.619 2.265 2.899 . 0 0 "[ . 1 . 2]" 1 1062 1 40 ASN H 1 94 MET ME . . 4.580 4.097 3.629 4.483 . 0 0 "[ . 1 . 2]" 1 1063 1 40 ASN HA 1 94 MET ME . . 3.920 2.670 2.104 3.176 . 0 0 "[ . 1 . 2]" 1 1064 1 40 ASN QB 1 41 GLN H . . 5.500 4.050 3.730 4.145 . 0 0 "[ . 1 . 2]" 1 1065 1 40 ASN HD22 1 41 GLN HE21 . . 5.500 5.494 4.134 6.287 0.787 19 3 "[ - 1 . +*]" 1 1066 1 41 GLN H 1 42 VAL H . . 5.110 4.415 4.346 4.496 . 0 0 "[ . 1 . 2]" 1 1067 1 41 GLN H 1 42 VAL QG . . 5.220 3.857 3.511 4.804 . 0 0 "[ . 1 . 2]" 1 1068 1 41 GLN H 1 64 THR MG . . 5.500 4.187 3.680 4.630 . 0 0 "[ . 1 . 2]" 1 1069 1 41 GLN H 1 94 MET HB2 . . 5.120 5.146 4.942 5.209 0.089 19 0 "[ . 1 . 2]" 1 1070 1 41 GLN H 1 94 MET HB3 . . 5.480 5.419 4.977 5.560 0.080 4 0 "[ . 1 . 2]" 1 1071 1 41 GLN H 1 94 MET ME . . 4.090 2.442 2.018 2.806 . 0 0 "[ . 1 . 2]" 1 1072 1 41 GLN HA 1 41 GLN HE21 . . 5.140 2.616 2.008 3.041 . 0 0 "[ . 1 . 2]" 1 1073 1 41 GLN HA 1 41 GLN HG2 . . 3.770 3.120 2.621 3.668 . 0 0 "[ . 1 . 2]" 1 1074 1 41 GLN HA 1 42 VAL H . . 3.200 2.362 2.045 2.570 . 0 0 "[ . 1 . 2]" 1 1075 1 41 GLN HA 1 42 VAL QG . . 4.960 3.041 2.743 3.927 . 0 0 "[ . 1 . 2]" 1 1076 1 41 GLN HA 1 94 MET HB2 . . 4.820 4.113 3.668 4.326 . 0 0 "[ . 1 . 2]" 1 1077 1 41 GLN HA 1 94 MET HB3 . . 4.070 3.739 3.338 4.145 0.075 11 0 "[ . 1 . 2]" 1 1078 1 41 GLN HB2 1 41 GLN HE22 . . 5.390 5.062 4.705 5.272 . 0 0 "[ . 1 . 2]" 1 1079 1 41 GLN HB2 1 42 VAL H . . 4.430 4.101 3.548 4.318 . 0 0 "[ . 1 . 2]" 1 1080 1 41 GLN HB3 1 42 VAL H . . 4.290 2.897 2.292 3.279 . 0 0 "[ . 1 . 2]" 1 1081 1 41 GLN HB3 1 64 THR MG . . 4.890 4.652 4.194 5.274 0.384 19 0 "[ . 1 . 2]" 1 1082 1 41 GLN HE21 1 94 MET HB3 . . 4.410 4.574 4.433 4.695 0.285 13 0 "[ . 1 . 2]" 1 1083 1 41 GLN HE22 1 94 MET HB3 . . 4.610 4.336 3.915 4.678 0.068 16 0 "[ . 1 . 2]" 1 1084 1 42 VAL H 1 42 VAL QG . . 3.440 2.297 2.114 2.640 . 0 0 "[ . 1 . 2]" 1 1085 1 42 VAL H 1 64 THR MG . . 5.500 4.315 4.188 4.535 . 0 0 "[ . 1 . 2]" 1 1086 1 42 VAL H 1 94 MET HB2 . . 5.500 4.626 4.054 5.098 . 0 0 "[ . 1 . 2]" 1 1087 1 42 VAL H 1 94 MET ME . . 4.930 4.087 3.572 4.688 . 0 0 "[ . 1 . 2]" 1 1088 1 42 VAL HA 1 43 TYR H . . 3.190 2.261 2.133 2.374 . 0 0 "[ . 1 . 2]" 1 1089 1 42 VAL HA 1 43 TYR HB2 . . 5.470 4.734 4.629 4.960 . 0 0 "[ . 1 . 2]" 1 1090 1 42 VAL HA 1 43 TYR QD . . 4.520 4.052 3.620 4.392 . 0 0 "[ . 1 . 2]" 1 1091 1 42 VAL HA 1 43 TYR QE . . 4.910 4.719 4.022 4.989 0.079 16 0 "[ . 1 . 2]" 1 1092 1 42 VAL HA 1 64 THR MG . . 3.590 2.168 1.982 2.579 . 0 0 "[ . 1 . 2]" 1 1093 1 42 VAL HA 1 91 VAL MG1 . . 5.500 3.962 3.545 4.397 . 0 0 "[ . 1 . 2]" 1 1094 1 42 VAL HA 1 91 VAL MG2 . . 5.500 4.657 3.971 5.299 . 0 0 "[ . 1 . 2]" 1 1095 1 42 VAL HB 1 43 TYR H . . 3.340 2.792 2.450 3.444 0.104 10 0 "[ . 1 . 2]" 1 1096 1 42 VAL HB 1 44 TYR QD . . 5.500 4.952 3.640 5.605 0.105 10 0 "[ . 1 . 2]" 1 1097 1 42 VAL HB 1 64 THR H . . 5.100 5.081 4.532 5.211 0.111 10 0 "[ . 1 . 2]" 1 1098 1 42 VAL HB 1 64 THR HB . . 5.500 3.983 3.360 4.364 . 0 0 "[ . 1 . 2]" 1 1099 1 42 VAL HB 1 64 THR MG . . 4.230 3.324 2.607 3.910 . 0 0 "[ . 1 . 2]" 1 1100 1 42 VAL HB 1 91 VAL MG1 . . 5.500 3.518 2.653 4.101 . 0 0 "[ . 1 . 2]" 1 1101 1 42 VAL QG 1 43 TYR H . . 4.750 3.274 2.140 3.491 . 0 0 "[ . 1 . 2]" 1 1102 1 42 VAL QG 1 43 TYR HA . . 5.500 4.091 3.768 4.415 . 0 0 "[ . 1 . 2]" 1 1103 1 42 VAL QG 1 44 TYR HB2 . . 5.500 4.442 3.953 5.193 . 0 0 "[ . 1 . 2]" 1 1104 1 42 VAL QG 1 44 TYR HB3 . . 5.500 3.059 2.523 3.983 . 0 0 "[ . 1 . 2]" 1 1105 1 42 VAL QG 1 44 TYR QD . . 3.100 3.063 2.624 3.196 0.096 2 0 "[ . 1 . 2]" 1 1106 1 42 VAL QG 1 44 TYR QE . . 5.190 4.448 3.114 4.846 . 0 0 "[ . 1 . 2]" 1 1107 1 42 VAL QG 1 64 THR HB . . 5.500 3.276 2.203 3.870 . 0 0 "[ . 1 . 2]" 1 1108 1 42 VAL QG 1 64 THR MG . . 3.620 2.079 1.958 2.502 . 0 0 "[ . 1 . 2]" 1 1109 1 42 VAL QG 1 91 VAL H . . 5.500 5.034 4.568 5.404 . 0 0 "[ . 1 . 2]" 1 1110 1 42 VAL QG 1 91 VAL HA . . 4.070 2.931 2.319 3.504 . 0 0 "[ . 1 . 2]" 1 1111 1 42 VAL QG 1 91 VAL MG1 . . 3.750 2.034 1.906 2.243 . 0 0 "[ . 1 . 2]" 1 1112 1 42 VAL QG 1 94 MET H . . 4.880 3.729 3.446 4.099 . 0 0 "[ . 1 . 2]" 1 1113 1 42 VAL QG 1 94 MET HA . . 5.500 4.059 3.778 4.279 . 0 0 "[ . 1 . 2]" 1 1114 1 42 VAL QG 1 94 MET HB2 . . 3.780 2.079 1.959 2.336 . 0 0 "[ . 1 . 2]" 1 1115 1 42 VAL QG 1 94 MET HB3 . . 5.080 2.820 2.328 3.223 . 0 0 "[ . 1 . 2]" 1 1116 1 42 VAL QG 1 94 MET ME . . 3.310 2.013 1.842 3.067 . 0 0 "[ . 1 . 2]" 1 1117 1 42 VAL QG 1 94 MET QG . . 5.500 3.562 3.274 3.990 . 0 0 "[ . 1 . 2]" 1 1118 1 42 VAL QG 1 95 CYS H . . 4.390 2.585 2.313 2.813 . 0 0 "[ . 1 . 2]" 1 1119 1 42 VAL QG 1 95 CYS HA . . 3.860 2.162 1.985 2.432 . 0 0 "[ . 1 . 2]" 1 1120 1 42 VAL QG 1 95 CYS HB3 . . 5.500 3.613 3.363 3.828 . 0 0 "[ . 1 . 2]" 1 1121 1 42 VAL QG 1 97 THR MG . . 5.500 5.179 4.852 5.398 . 0 0 "[ . 1 . 2]" 1 1122 1 42 VAL QG 1 98 GLN H . . 5.500 4.191 3.917 4.329 . 0 0 "[ . 1 . 2]" 1 1123 1 42 VAL QG 1 98 GLN HA . . 5.500 5.160 4.780 5.434 . 0 0 "[ . 1 . 2]" 1 1124 1 42 VAL QG 1 98 GLN HB2 . . 4.390 3.166 2.725 3.531 . 0 0 "[ . 1 . 2]" 1 1125 1 42 VAL QG 1 98 GLN HB3 . . 5.030 3.449 3.096 3.642 . 0 0 "[ . 1 . 2]" 1 1126 1 42 VAL QG 1 98 GLN HG2 . . 4.260 3.539 3.085 3.903 . 0 0 "[ . 1 . 2]" 1 1127 1 42 VAL QG 1 98 GLN HG3 . . 5.270 4.228 2.933 4.903 . 0 0 "[ . 1 . 2]" 1 1128 1 42 VAL QG 1 99 TYR H . . 5.500 4.977 4.613 5.274 . 0 0 "[ . 1 . 2]" 1 1129 1 43 TYR H 1 43 TYR QD . . 3.420 2.951 2.633 3.372 . 0 0 "[ . 1 . 2]" 1 1130 1 43 TYR H 1 43 TYR QE . . 5.500 4.564 4.287 4.833 . 0 0 "[ . 1 . 2]" 1 1131 1 43 TYR H 1 44 TYR H . . 4.610 4.386 4.187 4.481 . 0 0 "[ . 1 . 2]" 1 1132 1 43 TYR H 1 63 ILE MG . . 5.500 4.250 3.671 4.683 . 0 0 "[ . 1 . 2]" 1 1133 1 43 TYR H 1 64 THR H . . 5.100 4.064 3.559 4.236 . 0 0 "[ . 1 . 2]" 1 1134 1 43 TYR H 1 64 THR HA . . 4.810 3.971 3.640 4.618 . 0 0 "[ . 1 . 2]" 1 1135 1 43 TYR H 1 64 THR HB . . 4.680 3.903 3.581 4.202 . 0 0 "[ . 1 . 2]" 1 1136 1 43 TYR H 1 64 THR MG . . 4.390 3.299 2.777 3.896 . 0 0 "[ . 1 . 2]" 1 1137 1 43 TYR H 1 91 VAL MG1 . . 5.500 4.734 4.172 5.183 . 0 0 "[ . 1 . 2]" 1 1138 1 43 TYR HA 1 43 TYR QD . . 3.810 2.606 2.322 2.803 . 0 0 "[ . 1 . 2]" 1 1139 1 43 TYR HA 1 44 TYR H . . 3.220 2.249 2.197 2.308 . 0 0 "[ . 1 . 2]" 1 1140 1 43 TYR HA 1 44 TYR QD . . 3.640 3.429 3.224 3.674 0.034 7 0 "[ . 1 . 2]" 1 1141 1 43 TYR HB2 1 44 TYR H . . 4.610 4.324 4.223 4.407 . 0 0 "[ . 1 . 2]" 1 1142 1 43 TYR HB2 1 63 ILE HB . . 4.850 3.891 3.125 4.189 . 0 0 "[ . 1 . 2]" 1 1143 1 43 TYR HB2 1 63 ILE QG . . 5.200 4.874 4.186 5.136 . 0 0 "[ . 1 . 2]" 1 1144 1 43 TYR HB2 1 63 ILE MG . . 3.750 2.695 2.299 3.164 . 0 0 "[ . 1 . 2]" 1 1145 1 43 TYR HB2 1 64 THR HA . . 5.080 4.286 3.806 4.838 . 0 0 "[ . 1 . 2]" 1 1146 1 43 TYR HB3 1 63 ILE MG . . 4.560 3.722 3.324 4.326 . 0 0 "[ . 1 . 2]" 1 1147 1 43 TYR QD 1 63 ILE MG . . 3.750 2.584 2.181 2.965 . 0 0 "[ . 1 . 2]" 1 1148 1 43 TYR QD 1 64 THR H . . 5.500 3.812 3.006 4.146 . 0 0 "[ . 1 . 2]" 1 1149 1 43 TYR QD 1 64 THR HA . . 3.110 2.367 2.161 2.619 . 0 0 "[ . 1 . 2]" 1 1150 1 43 TYR QD 1 64 THR HB . . 5.410 4.455 4.063 4.793 . 0 0 "[ . 1 . 2]" 1 1151 1 43 TYR QD 1 64 THR MG . . 4.430 3.485 2.860 3.957 . 0 0 "[ . 1 . 2]" 1 1152 1 43 TYR QD 1 67 GLN H . . 5.500 5.095 4.868 5.362 . 0 0 "[ . 1 . 2]" 1 1153 1 43 TYR QD 1 67 GLN HB2 . . 4.440 3.950 3.249 4.520 0.080 11 0 "[ . 1 . 2]" 1 1154 1 43 TYR QD 1 67 GLN HB3 . . 5.500 4.756 4.008 5.229 . 0 0 "[ . 1 . 2]" 1 1155 1 43 TYR QD 1 67 GLN HG2 . . 5.320 3.162 2.702 3.861 . 0 0 "[ . 1 . 2]" 1 1156 1 43 TYR QD 1 67 GLN HG3 . . 3.270 3.138 2.201 3.367 0.097 14 0 "[ . 1 . 2]" 1 1157 1 43 TYR QE 1 63 ILE MG . . 4.430 4.246 3.770 4.534 0.104 15 0 "[ . 1 . 2]" 1 1158 1 43 TYR QE 1 64 THR HA . . 3.660 3.020 2.380 3.339 . 0 0 "[ . 1 . 2]" 1 1159 1 43 TYR QE 1 64 THR MG . . 5.500 3.432 2.727 4.186 . 0 0 "[ . 1 . 2]" 1 1160 1 43 TYR QE 1 67 GLN H . . 4.870 4.888 4.717 4.973 0.103 11 0 "[ . 1 . 2]" 1 1161 1 43 TYR QE 1 67 GLN HB2 . . 3.670 2.729 2.388 3.241 . 0 0 "[ . 1 . 2]" 1 1162 1 43 TYR QE 1 67 GLN HB3 . . 3.520 3.051 2.220 3.595 0.075 19 0 "[ . 1 . 2]" 1 1163 1 43 TYR QE 1 67 GLN HG2 . . 3.780 3.242 2.752 3.864 0.084 8 0 "[ . 1 . 2]" 1 1164 1 43 TYR QE 1 67 GLN HG3 . . 3.360 2.476 2.054 3.050 . 0 0 "[ . 1 . 2]" 1 1165 1 44 TYR H 1 44 TYR QD . . 3.270 2.300 1.941 2.513 . 0 0 "[ . 1 . 2]" 1 1166 1 44 TYR H 1 44 TYR QE . . 4.270 4.072 3.853 4.232 . 0 0 "[ . 1 . 2]" 1 1167 1 44 TYR H 1 45 ARG H . . 5.500 4.511 4.457 4.626 . 0 0 "[ . 1 . 2]" 1 1168 1 44 TYR HA 1 45 ARG H . . 3.450 2.492 2.318 2.640 . 0 0 "[ . 1 . 2]" 1 1169 1 44 TYR HA 1 45 ARG HA . . 4.750 4.529 4.477 4.567 . 0 0 "[ . 1 . 2]" 1 1170 1 44 TYR HB2 1 45 ARG H . . 3.840 2.636 2.459 2.828 . 0 0 "[ . 1 . 2]" 1 1171 1 44 TYR HB2 1 56 PHE QE . . 4.020 3.324 2.940 3.562 . 0 0 "[ . 1 . 2]" 1 1172 1 44 TYR HB2 1 56 PHE HZ . . 3.560 3.339 2.752 3.633 0.073 3 0 "[ . 1 . 2]" 1 1173 1 44 TYR HB3 1 45 ARG H . . 4.390 3.997 3.874 4.151 . 0 0 "[ . 1 . 2]" 1 1174 1 44 TYR HB3 1 56 PHE QE . . 5.420 3.749 3.248 4.205 . 0 0 "[ . 1 . 2]" 1 1175 1 44 TYR HB3 1 56 PHE HZ . . 5.380 4.058 3.526 4.479 . 0 0 "[ . 1 . 2]" 1 1176 1 44 TYR QD 1 45 ARG H . . 3.970 3.308 2.946 3.723 . 0 0 "[ . 1 . 2]" 1 1177 1 44 TYR QD 1 46 PRO HA . . 4.900 3.379 2.752 4.098 . 0 0 "[ . 1 . 2]" 1 1178 1 44 TYR QD 1 47 VAL H . . 4.260 4.236 3.797 4.347 0.087 12 0 "[ . 1 . 2]" 1 1179 1 44 TYR QD 1 47 VAL QG . . 5.500 4.806 3.923 5.121 . 0 0 "[ . 1 . 2]" 1 1180 1 44 TYR QD 1 56 PHE QE . . 3.290 2.527 2.242 2.812 . 0 0 "[ . 1 . 2]" 1 1181 1 44 TYR QD 1 56 PHE HZ . . 3.800 2.563 2.228 2.839 . 0 0 "[ . 1 . 2]" 1 1182 1 44 TYR QD 1 102 GLU HG3 . . 4.140 3.800 3.270 4.225 0.085 20 0 "[ . 1 . 2]" 1 1183 1 44 TYR QE 1 46 PRO HA . . 5.040 2.891 2.166 3.585 . 0 0 "[ . 1 . 2]" 1 1184 1 44 TYR QE 1 47 VAL H . . 4.370 3.883 3.449 4.383 0.013 11 0 "[ . 1 . 2]" 1 1185 1 44 TYR QE 1 56 PHE QE . . 4.640 3.418 3.018 3.818 . 0 0 "[ . 1 . 2]" 1 1186 1 44 TYR QE 1 56 PHE HZ . . 4.510 3.401 2.874 3.931 . 0 0 "[ . 1 . 2]" 1 1187 1 44 TYR QE 1 102 GLU HG2 . . 5.500 3.832 3.170 4.363 . 0 0 "[ . 1 . 2]" 1 1188 1 44 TYR QE 1 102 GLU HG3 . . 3.560 2.478 2.302 2.979 . 0 0 "[ . 1 . 2]" 1 1189 1 45 ARG H 1 45 ARG HB2 . . 4.030 2.470 2.150 3.221 . 0 0 "[ . 1 . 2]" 1 1190 1 45 ARG H 1 45 ARG HG2 . . 5.380 3.770 3.118 4.696 . 0 0 "[ . 1 . 2]" 1 1191 1 45 ARG H 1 45 ARG HG3 . . 4.800 3.626 2.867 4.196 . 0 0 "[ . 1 . 2]" 1 1192 1 45 ARG H 1 46 PRO QD . . 5.500 4.424 4.313 4.527 . 0 0 "[ . 1 . 2]" 1 1193 1 45 ARG H 1 50 TYR QE . . 3.650 3.468 2.809 3.753 0.103 12 0 "[ . 1 . 2]" 1 1194 1 45 ARG H 1 56 PHE QE . . 4.930 4.543 4.106 4.991 0.061 9 0 "[ . 1 . 2]" 1 1195 1 45 ARG HA 1 45 ARG QD . . 4.890 3.613 2.335 4.082 . 0 0 "[ . 1 . 2]" 1 1196 1 45 ARG HA 1 45 ARG HG2 . . 4.170 2.412 2.105 2.738 . 0 0 "[ . 1 . 2]" 1 1197 1 45 ARG HA 1 46 PRO QD . . 3.520 2.235 2.005 2.396 . 0 0 "[ . 1 . 2]" 1 1198 1 45 ARG HA 1 46 PRO HG2 . . 5.310 4.838 4.601 5.012 . 0 0 "[ . 1 . 2]" 1 1199 1 45 ARG HA 1 50 TYR QE . . 4.800 4.385 4.083 4.706 . 0 0 "[ . 1 . 2]" 1 1200 1 45 ARG HB2 1 45 ARG HE . . 5.500 3.964 2.589 4.534 . 0 0 "[ . 1 . 2]" 1 1201 1 45 ARG HB2 1 46 PRO QD . . 4.090 3.491 2.909 3.967 . 0 0 "[ . 1 . 2]" 1 1202 1 45 ARG HB2 1 50 TYR QE . . 2.940 2.285 1.929 3.035 0.095 18 0 "[ . 1 . 2]" 1 1203 1 45 ARG HB3 1 45 ARG HE . . 5.460 3.258 2.392 4.110 . 0 0 "[ . 1 . 2]" 1 1204 1 45 ARG HB3 1 46 PRO QD . . 4.220 2.140 1.905 2.857 . 0 0 "[ . 1 . 2]" 1 1205 1 45 ARG HB3 1 50 TYR QE . . 3.410 2.557 1.897 3.517 0.107 5 0 "[ . 1 . 2]" 1 1206 1 45 ARG QD 1 46 PRO QD . . 5.500 3.256 2.354 3.929 . 0 0 "[ . 1 . 2]" 1 1207 1 45 ARG QD 1 49 GLN HE21 . . 5.500 2.688 1.954 3.491 . 0 0 "[ . 1 . 2]" 1 1208 1 45 ARG QD 1 49 GLN QG . . 4.940 4.191 3.484 4.718 . 0 0 "[ . 1 . 2]" 1 1209 1 45 ARG HE 1 49 GLN HE21 . . 4.660 3.543 1.981 4.720 0.060 6 0 "[ . 1 . 2]" 1 1210 1 45 ARG HE 1 49 GLN HE22 . . 5.500 3.509 2.327 4.996 . 0 0 "[ . 1 . 2]" 1 1211 1 45 ARG HG2 1 46 PRO QD . . 5.340 3.197 1.967 4.199 . 0 0 "[ . 1 . 2]" 1 1212 1 45 ARG HG2 1 50 TYR QE . . 4.690 4.623 4.143 4.764 0.074 8 0 "[ . 1 . 2]" 1 1213 1 45 ARG HG3 1 46 PRO QD . . 5.500 4.030 3.126 4.719 . 0 0 "[ . 1 . 2]" 1 1214 1 45 ARG HG3 1 50 TYR QE . . 4.650 4.172 3.082 4.761 0.111 18 0 "[ . 1 . 2]" 1 1215 1 46 PRO HA 1 47 VAL H . . 3.000 2.194 1.909 2.339 . 0 0 "[ . 1 . 2]" 1 1216 1 46 PRO HA 1 47 VAL HB . . 4.790 4.584 4.280 4.897 0.107 1 0 "[ . 1 . 2]" 1 1217 1 46 PRO HA 1 47 VAL QG . . 4.720 3.792 3.092 4.050 . 0 0 "[ . 1 . 2]" 1 1218 1 46 PRO HA 1 48 SER H . . 4.890 3.890 3.604 4.189 . 0 0 "[ . 1 . 2]" 1 1219 1 46 PRO HA 1 49 GLN QG . . 5.500 4.774 4.531 5.199 . 0 0 "[ . 1 . 2]" 1 1220 1 46 PRO HB2 1 47 VAL H . . 4.340 3.392 3.087 3.826 . 0 0 "[ . 1 . 2]" 1 1221 1 46 PRO HB2 1 47 VAL QG . . 5.340 4.291 3.972 4.653 . 0 0 "[ . 1 . 2]" 1 1222 1 46 PRO HB2 1 48 SER H . . 5.250 2.647 2.403 3.036 . 0 0 "[ . 1 . 2]" 1 1223 1 46 PRO HB2 1 49 GLN QG . . 4.980 3.691 3.169 4.274 . 0 0 "[ . 1 . 2]" 1 1224 1 46 PRO HB3 1 47 VAL H . . 4.750 3.827 3.628 4.073 . 0 0 "[ . 1 . 2]" 1 1225 1 46 PRO QD 1 47 VAL H . . 5.500 4.947 4.808 5.003 . 0 0 "[ . 1 . 2]" 1 1226 1 46 PRO QD 1 49 GLN HE21 . . 5.240 2.803 1.861 3.758 . 0 0 "[ . 1 . 2]" 1 1227 1 46 PRO QD 1 49 GLN HE22 . . 5.290 3.710 2.674 4.000 . 0 0 "[ . 1 . 2]" 1 1228 1 46 PRO QD 1 49 GLN QG . . 5.500 2.750 2.164 3.781 . 0 0 "[ . 1 . 2]" 1 1229 1 46 PRO QD 1 50 TYR QE . . 5.350 3.887 3.509 4.171 . 0 0 "[ . 1 . 2]" 1 1230 1 46 PRO HG2 1 49 GLN HE22 . . 5.500 4.497 3.609 4.885 . 0 0 "[ . 1 . 2]" 1 1231 1 46 PRO HG3 1 49 GLN HE21 . . 5.500 4.948 3.538 6.141 0.641 12 1 "[ . 1 + . 2]" 1 1232 1 46 PRO HG3 1 49 GLN HE22 . . 5.500 5.384 4.566 5.577 0.077 17 0 "[ . 1 . 2]" 1 1233 1 47 VAL H 1 47 VAL HB . . 3.430 2.642 2.452 3.023 . 0 0 "[ . 1 . 2]" 1 1234 1 47 VAL H 1 47 VAL QG . . 3.500 2.056 1.713 2.279 . 0 0 "[ . 1 . 2]" 1 1235 1 47 VAL H 1 48 SER H . . 4.040 2.782 2.615 3.034 . 0 0 "[ . 1 . 2]" 1 1236 1 47 VAL H 1 49 GLN H . . 5.500 4.549 4.265 4.946 . 0 0 "[ . 1 . 2]" 1 1237 1 47 VAL H 1 50 TYR QD . . 4.880 4.368 4.062 4.593 . 0 0 "[ . 1 . 2]" 1 1238 1 47 VAL H 1 50 TYR QE . . 5.280 5.259 4.857 5.376 0.096 9 0 "[ . 1 . 2]" 1 1239 1 47 VAL H 1 56 PHE QE . . 5.400 2.738 2.292 3.390 . 0 0 "[ . 1 . 2]" 1 1240 1 47 VAL HA 1 49 GLN QG . . 5.500 4.512 3.642 4.716 . 0 0 "[ . 1 . 2]" 1 1241 1 47 VAL HA 1 50 TYR H . . 4.140 3.200 2.687 3.840 . 0 0 "[ . 1 . 2]" 1 1242 1 47 VAL HA 1 50 TYR QD . . 2.960 2.087 1.901 2.331 . 0 0 "[ . 1 . 2]" 1 1243 1 47 VAL HA 1 56 PHE QD . . 4.020 2.551 2.108 2.998 . 0 0 "[ . 1 . 2]" 1 1244 1 47 VAL HA 1 56 PHE QE . . 4.470 3.471 3.202 3.752 . 0 0 "[ . 1 . 2]" 1 1245 1 47 VAL HA 1 99 TYR QD . . 4.800 4.767 4.357 4.892 0.092 5 0 "[ . 1 . 2]" 1 1246 1 47 VAL HA 1 99 TYR QE . . 4.780 4.543 4.266 4.830 0.050 18 0 "[ . 1 . 2]" 1 1247 1 47 VAL HB 1 48 SER H . . 4.670 4.066 2.681 4.508 . 0 0 "[ . 1 . 2]" 1 1248 1 47 VAL HB 1 50 TYR QD . . 4.550 4.313 3.885 4.651 0.101 3 0 "[ . 1 . 2]" 1 1249 1 47 VAL HB 1 56 PHE QE . . 4.260 2.910 2.380 4.371 0.111 12 0 "[ . 1 . 2]" 1 1250 1 47 VAL HB 1 99 TYR QD . . 4.730 3.657 3.009 4.844 0.114 12 0 "[ . 1 . 2]" 1 1251 1 47 VAL HB 1 99 TYR QE . . 4.050 3.805 3.385 4.168 0.118 1 0 "[ . 1 . 2]" 1 1252 1 47 VAL HB 1 102 GLU HB3 . . 4.770 3.496 2.443 4.823 0.053 12 0 "[ . 1 . 2]" 1 1253 1 47 VAL QG 1 48 SER H . . 4.470 2.876 2.540 3.294 . 0 0 "[ . 1 . 2]" 1 1254 1 47 VAL QG 1 48 SER HA . . 4.700 3.556 3.183 4.202 . 0 0 "[ . 1 . 2]" 1 1255 1 47 VAL QG 1 48 SER HB3 . . 5.500 4.367 3.808 5.114 . 0 0 "[ . 1 . 2]" 1 1256 1 47 VAL QG 1 49 GLN H . . 5.500 4.176 3.954 4.582 . 0 0 "[ . 1 . 2]" 1 1257 1 47 VAL QG 1 50 TYR H . . 5.500 3.576 3.209 4.126 . 0 0 "[ . 1 . 2]" 1 1258 1 47 VAL QG 1 50 TYR HB2 . . 5.500 2.584 2.130 3.290 . 0 0 "[ . 1 . 2]" 1 1259 1 47 VAL QG 1 50 TYR HB3 . . 4.800 3.789 2.965 4.678 . 0 0 "[ . 1 . 2]" 1 1260 1 47 VAL QG 1 50 TYR QD . . 3.990 3.469 3.227 3.659 . 0 0 "[ . 1 . 2]" 1 1261 1 47 VAL QG 1 51 SER HB2 . . 5.180 5.079 4.504 5.509 0.329 20 0 "[ . 1 . 2]" 1 1262 1 47 VAL QG 1 51 SER HB3 . . 5.500 5.190 4.628 5.502 0.002 5 0 "[ . 1 . 2]" 1 1263 1 47 VAL QG 1 56 PHE HB2 . . 4.740 3.369 2.585 3.812 . 0 0 "[ . 1 . 2]" 1 1264 1 47 VAL QG 1 56 PHE QD . . 4.190 2.857 2.217 3.250 . 0 0 "[ . 1 . 2]" 1 1265 1 47 VAL QG 1 56 PHE QE . . 3.890 3.092 1.974 3.583 . 0 0 "[ . 1 . 2]" 1 1266 1 47 VAL QG 1 99 TYR HA . . 4.750 4.005 3.250 4.333 . 0 0 "[ . 1 . 2]" 1 1267 1 47 VAL QG 1 99 TYR QD . . 3.210 2.953 2.111 3.242 0.032 14 0 "[ . 1 . 2]" 1 1268 1 47 VAL QG 1 99 TYR QE . . 3.060 2.075 1.780 2.458 . 0 0 "[ . 1 . 2]" 1 1269 1 47 VAL QG 1 102 GLU H . . 5.500 4.645 4.349 5.016 . 0 0 "[ . 1 . 2]" 1 1270 1 47 VAL QG 1 102 GLU HA . . 5.190 3.876 3.566 4.300 . 0 0 "[ . 1 . 2]" 1 1271 1 47 VAL QG 1 102 GLU HB2 . . 4.020 3.237 2.764 3.531 . 0 0 "[ . 1 . 2]" 1 1272 1 47 VAL QG 1 102 GLU HB3 . . 4.140 2.215 1.915 2.485 . 0 0 "[ . 1 . 2]" 1 1273 1 47 VAL QG 1 102 GLU HG2 . . 5.480 4.598 4.152 4.948 . 0 0 "[ . 1 . 2]" 1 1274 1 47 VAL QG 1 102 GLU HG3 . . 5.190 3.923 3.301 4.259 . 0 0 "[ . 1 . 2]" 1 1275 1 47 VAL QG 1 103 SER H . . 4.770 3.518 3.069 3.926 . 0 0 "[ . 1 . 2]" 1 1276 1 47 VAL QG 1 103 SER HA . . 3.880 2.447 2.112 2.814 . 0 0 "[ . 1 . 2]" 1 1277 1 47 VAL QG 1 103 SER QB . . 4.810 3.427 2.893 3.958 . 0 0 "[ . 1 . 2]" 1 1278 1 47 VAL QG 1 104 GLN H . . 5.500 4.937 4.231 5.321 . 0 0 "[ . 1 . 2]" 1 1279 1 47 VAL QG 1 106 TYR H . . 5.500 3.482 3.132 3.835 . 0 0 "[ . 1 . 2]" 1 1280 1 47 VAL QG 1 106 TYR HB2 . . 3.990 3.351 2.874 3.781 . 0 0 "[ . 1 . 2]" 1 1281 1 47 VAL QG 1 106 TYR HB3 . . 4.320 2.514 2.087 2.902 . 0 0 "[ . 1 . 2]" 1 1282 1 47 VAL QG 1 106 TYR QD . . 3.410 2.508 2.162 2.943 . 0 0 "[ . 1 . 2]" 1 1283 1 47 VAL QG 1 106 TYR QE . . 3.990 2.794 2.533 3.133 . 0 0 "[ . 1 . 2]" 1 1284 1 48 SER H 1 48 SER HB3 . . 4.040 2.637 2.390 2.928 . 0 0 "[ . 1 . 2]" 1 1285 1 48 SER H 1 49 GLN H . . 4.730 2.872 2.732 3.023 . 0 0 "[ . 1 . 2]" 1 1286 1 48 SER H 1 49 GLN HA . . 5.500 5.468 5.352 5.571 0.071 19 0 "[ . 1 . 2]" 1 1287 1 48 SER HA 1 49 GLN QG . . 5.100 4.769 4.438 4.942 . 0 0 "[ . 1 . 2]" 1 1288 1 48 SER HA 1 106 TYR HB2 . . 5.500 4.226 2.663 5.442 . 0 0 "[ . 1 . 2]" 1 1289 1 48 SER HA 1 106 TYR QE . . 4.280 3.479 2.324 4.364 0.084 14 0 "[ . 1 . 2]" 1 1290 1 48 SER HB2 1 49 GLN H . . 4.880 3.980 3.681 4.146 . 0 0 "[ . 1 . 2]" 1 1291 1 48 SER HB3 1 49 GLN H . . 5.380 3.854 2.630 4.540 . 0 0 "[ . 1 . 2]" 1 1292 1 48 SER HB3 1 106 TYR QD . . 4.910 4.003 2.288 5.484 0.574 6 3 "[ -.+ 1* . 2]" 1 1293 1 49 GLN H 1 49 GLN HB2 . . 4.140 2.843 2.488 3.433 . 0 0 "[ . 1 . 2]" 1 1294 1 49 GLN H 1 49 GLN HB3 . . 4.140 3.597 3.227 3.761 . 0 0 "[ . 1 . 2]" 1 1295 1 49 GLN H 1 49 GLN QG . . 3.390 2.161 1.749 2.401 . 0 0 "[ . 1 . 2]" 1 1296 1 49 GLN H 1 50 TYR H . . 3.790 2.472 2.279 2.712 . 0 0 "[ . 1 . 2]" 1 1297 1 49 GLN H 1 50 TYR QD . . 3.930 3.331 2.839 3.663 . 0 0 "[ . 1 . 2]" 1 1298 1 49 GLN H 1 50 TYR QE . . 4.740 4.506 4.151 4.826 0.086 10 0 "[ . 1 . 2]" 1 1299 1 49 GLN HA 1 49 GLN HE21 . . 5.390 5.268 4.947 5.457 0.067 18 0 "[ . 1 . 2]" 1 1300 1 49 GLN HA 1 49 GLN QG . . 3.930 2.851 2.629 3.272 . 0 0 "[ . 1 . 2]" 1 1301 1 49 GLN HB2 1 49 GLN HE22 . . 5.060 4.534 3.791 5.074 0.014 14 0 "[ . 1 . 2]" 1 1302 1 49 GLN HB2 1 50 TYR H . . 5.500 3.175 2.013 4.178 . 0 0 "[ . 1 . 2]" 1 1303 1 49 GLN HB2 1 50 TYR QD . . 4.050 3.283 2.612 4.144 0.094 12 0 "[ . 1 . 2]" 1 1304 1 49 GLN HB2 1 50 TYR QE . . 5.500 3.499 2.717 4.441 . 0 0 "[ . 1 . 2]" 1 1305 1 49 GLN HB3 1 50 TYR H . . 4.700 4.186 3.291 4.741 0.041 12 0 "[ . 1 . 2]" 1 1306 1 49 GLN HB3 1 50 TYR QE . . 5.500 4.814 3.878 5.520 0.020 4 0 "[ . 1 . 2]" 1 1307 1 49 GLN HE21 1 50 TYR QE . . 4.030 4.054 3.567 4.138 0.108 14 0 "[ . 1 . 2]" 1 1308 1 49 GLN QG 1 50 TYR H . . 5.450 3.830 2.487 4.251 . 0 0 "[ . 1 . 2]" 1 1309 1 49 GLN QG 1 50 TYR QD . . 4.780 3.683 2.367 4.072 . 0 0 "[ . 1 . 2]" 1 1310 1 49 GLN QG 1 50 TYR QE . . 5.500 3.396 2.781 3.953 . 0 0 "[ . 1 . 2]" 1 1311 1 50 TYR H 1 50 TYR HB2 . . 3.660 2.590 2.430 2.792 . 0 0 "[ . 1 . 2]" 1 1312 1 50 TYR H 1 50 TYR QD . . 3.350 2.729 2.200 3.409 0.059 4 0 "[ . 1 . 2]" 1 1313 1 50 TYR H 1 50 TYR QE . . 5.500 4.619 3.990 5.165 . 0 0 "[ . 1 . 2]" 1 1314 1 50 TYR H 1 51 SER H . . 5.060 4.196 2.357 4.617 . 0 0 "[ . 1 . 2]" 1 1315 1 50 TYR H 1 51 SER HA . . 5.500 4.869 3.897 5.421 . 0 0 "[ . 1 . 2]" 1 1316 1 50 TYR H 1 52 ASN H . . 5.500 5.421 4.591 5.584 0.084 18 0 "[ . 1 . 2]" 1 1317 1 50 TYR HA 1 50 TYR QD . . 3.250 2.931 2.528 3.325 0.075 17 0 "[ . 1 . 2]" 1 1318 1 50 TYR HA 1 51 SER HA . . 4.790 4.639 4.496 4.912 0.122 1 0 "[ . 1 . 2]" 1 1319 1 50 TYR HA 1 51 SER HB2 . . 5.420 5.119 4.351 5.728 0.308 2 0 "[ . 1 . 2]" 1 1320 1 50 TYR HA 1 52 ASN H . . 5.390 4.327 3.865 4.695 . 0 0 "[ . 1 . 2]" 1 1321 1 50 TYR HA 1 55 ASN HB2 . . 5.500 4.390 3.650 4.830 . 0 0 "[ . 1 . 2]" 1 1322 1 50 TYR HB2 1 52 ASN H . . 4.960 3.440 2.416 4.302 . 0 0 "[ . 1 . 2]" 1 1323 1 50 TYR HB3 1 52 ASN H . . 4.520 2.771 2.411 3.116 . 0 0 "[ . 1 . 2]" 1 1324 1 50 TYR HB3 1 55 ASN QD . . 5.500 4.002 2.913 4.966 . 0 0 "[ . 1 . 2]" 1 1325 1 50 TYR QD 1 51 SER H . . 4.470 3.830 3.378 4.218 . 0 0 "[ . 1 . 2]" 1 1326 1 50 TYR QD 1 55 ASN HA . . 4.310 4.288 4.027 4.408 0.098 7 0 "[ . 1 . 2]" 1 1327 1 50 TYR QD 1 55 ASN HB2 . . 3.340 2.535 1.952 3.412 0.072 1 0 "[ . 1 . 2]" 1 1328 1 50 TYR QD 1 55 ASN HB3 . . 3.290 2.692 2.040 3.460 0.170 18 0 "[ . 1 . 2]" 1 1329 1 50 TYR QD 1 56 PHE HB2 . . 4.220 3.864 3.532 4.106 . 0 0 "[ . 1 . 2]" 1 1330 1 50 TYR QD 1 99 TYR QE . . 5.360 5.346 4.946 5.488 0.128 12 0 "[ . 1 . 2]" 1 1331 1 50 TYR QE 1 55 ASN HA . . 4.350 4.422 4.164 4.459 0.109 20 0 "[ . 1 . 2]" 1 1332 1 50 TYR QE 1 56 PHE HB2 . . 5.060 4.840 4.453 5.131 0.071 9 0 "[ . 1 . 2]" 1 1333 1 50 TYR QE 1 56 PHE QE . . 4.920 4.856 4.455 5.026 0.106 17 0 "[ . 1 . 2]" 1 1334 1 51 SER H 1 52 ASN H . . 4.720 2.141 1.665 2.667 . 0 0 "[ . 1 . 2]" 1 1335 1 51 SER H 1 52 ASN HA . . 5.500 4.603 4.302 5.192 . 0 0 "[ . 1 . 2]" 1 1336 1 51 SER HB2 1 52 ASN H . . 4.760 4.509 3.366 4.789 0.029 7 0 "[ . 1 . 2]" 1 1337 1 51 SER HB3 1 52 ASN H . . 5.130 4.403 4.028 4.735 . 0 0 "[ . 1 . 2]" 1 1338 1 51 SER HB3 1 55 ASN QD . . 5.500 5.320 3.917 6.382 0.882 17 1 "[ . 1 . + 2]" 1 1339 1 52 ASN H 1 53 GLN H . . 5.500 4.312 4.214 4.507 . 0 0 "[ . 1 . 2]" 1 1340 1 52 ASN H 1 55 ASN H . . 5.500 4.477 3.972 5.037 . 0 0 "[ . 1 . 2]" 1 1341 1 52 ASN H 1 55 ASN HB2 . . 4.940 3.989 3.135 5.013 0.073 7 0 "[ . 1 . 2]" 1 1342 1 52 ASN HA 1 52 ASN HD22 . . 5.500 4.439 3.834 4.899 . 0 0 "[ . 1 . 2]" 1 1343 1 52 ASN HA 1 53 GLN H . . 3.100 2.494 2.227 2.961 . 0 0 "[ . 1 . 2]" 1 1344 1 52 ASN HA 1 53 GLN HA . . 4.970 4.389 4.190 4.592 . 0 0 "[ . 1 . 2]" 1 1345 1 52 ASN HA 1 53 GLN QB . . 4.880 4.213 3.974 4.538 . 0 0 "[ . 1 . 2]" 1 1346 1 52 ASN HA 1 54 LYS H . . 4.730 4.527 4.147 4.813 0.083 12 0 "[ . 1 . 2]" 1 1347 1 52 ASN HA 1 55 ASN QD . . 4.830 4.538 3.632 4.752 . 0 0 "[ . 1 . 2]" 1 1348 1 52 ASN HB2 1 53 GLN H . . 3.930 3.621 2.505 3.995 0.065 19 0 "[ . 1 . 2]" 1 1349 1 52 ASN HB2 1 54 LYS H . . 4.550 4.154 2.437 4.628 0.078 20 0 "[ . 1 . 2]" 1 1350 1 52 ASN HB3 1 53 GLN H . . 3.440 2.653 1.922 3.264 . 0 0 "[ . 1 . 2]" 1 1351 1 52 ASN HB3 1 53 GLN HA . . 4.160 4.312 4.243 4.634 0.474 2 0 "[ . 1 . 2]" 1 1352 1 52 ASN HB3 1 53 GLN QB . . 5.160 4.394 3.904 4.840 . 0 0 "[ . 1 . 2]" 1 1353 1 52 ASN HB3 1 54 LYS H . . 3.940 2.957 2.457 3.484 . 0 0 "[ . 1 . 2]" 1 1354 1 52 ASN HD21 1 53 GLN H . . 5.500 4.162 2.675 5.020 . 0 0 "[ . 1 . 2]" 1 1355 1 52 ASN HD21 1 54 LYS HB2 . . 5.500 4.554 2.914 5.910 0.410 7 0 "[ . 1 . 2]" 1 1356 1 52 ASN HD21 1 54 LYS HB3 . . 5.500 3.374 2.153 5.445 . 0 0 "[ . 1 . 2]" 1 1357 1 52 ASN HD21 1 55 ASN H . . 5.500 3.606 2.283 5.439 . 0 0 "[ . 1 . 2]" 1 1358 1 52 ASN HD21 1 55 ASN QD . . 5.200 3.006 1.922 4.391 . 0 0 "[ . 1 . 2]" 1 1359 1 52 ASN HD22 1 54 LYS H . . 5.500 4.334 2.791 5.581 0.081 2 0 "[ . 1 . 2]" 1 1360 1 52 ASN HD22 1 54 LYS HB3 . . 5.500 4.120 2.580 5.470 . 0 0 "[ . 1 . 2]" 1 1361 1 52 ASN HD22 1 55 ASN H . . 5.500 4.750 3.121 5.563 0.063 3 0 "[ . 1 . 2]" 1 1362 1 52 ASN HD22 1 55 ASN QD . . 4.880 3.893 2.398 4.807 . 0 0 "[ . 1 . 2]" 1 1363 1 53 GLN H 1 53 GLN QB . . 3.120 2.335 2.218 2.616 . 0 0 "[ . 1 . 2]" 1 1364 1 53 GLN H 1 53 GLN HG2 . . 5.250 4.574 4.329 4.675 . 0 0 "[ . 1 . 2]" 1 1365 1 53 GLN H 1 53 GLN HG3 . . 5.250 4.510 4.166 4.656 . 0 0 "[ . 1 . 2]" 1 1366 1 53 GLN H 1 54 LYS H . . 3.540 2.444 2.006 2.813 . 0 0 "[ . 1 . 2]" 1 1367 1 53 GLN H 1 55 ASN H . . 4.050 4.093 3.468 4.141 0.091 6 0 "[ . 1 . 2]" 1 1368 1 53 GLN H 1 57 VAL QG . . 5.500 5.269 4.910 5.393 . 0 0 "[ . 1 . 2]" 1 1369 1 53 GLN H 1 99 TYR QE . . 5.130 4.334 3.877 5.025 . 0 0 "[ . 1 . 2]" 1 1370 1 53 GLN HA 1 53 GLN HG2 . . 3.990 3.180 2.872 3.384 . 0 0 "[ . 1 . 2]" 1 1371 1 53 GLN HA 1 53 GLN HG3 . . 4.100 2.472 2.243 2.882 . 0 0 "[ . 1 . 2]" 1 1372 1 53 GLN HA 1 54 LYS HA . . 5.500 4.784 4.641 4.879 . 0 0 "[ . 1 . 2]" 1 1373 1 53 GLN HA 1 56 PHE H . . 5.500 3.497 3.078 3.931 . 0 0 "[ . 1 . 2]" 1 1374 1 53 GLN HA 1 56 PHE HB2 . . 5.500 3.765 3.162 4.244 . 0 0 "[ . 1 . 2]" 1 1375 1 53 GLN HA 1 56 PHE HB3 . . 4.260 2.904 2.615 3.645 . 0 0 "[ . 1 . 2]" 1 1376 1 53 GLN HA 1 57 VAL QG . . 4.970 3.375 3.116 3.694 . 0 0 "[ . 1 . 2]" 1 1377 1 53 GLN HA 1 99 TYR QD . . 5.170 3.580 3.296 3.888 . 0 0 "[ . 1 . 2]" 1 1378 1 53 GLN HA 1 99 TYR QE . . 3.300 3.146 2.958 3.338 0.038 16 0 "[ . 1 . 2]" 1 1379 1 53 GLN QB 1 53 GLN HE22 . . 5.020 3.935 3.663 4.183 . 0 0 "[ . 1 . 2]" 1 1380 1 53 GLN QB 1 54 LYS H . . 4.100 2.623 2.239 3.111 . 0 0 "[ . 1 . 2]" 1 1381 1 53 GLN QB 1 99 TYR QD . . 4.080 3.637 3.241 4.151 0.071 16 0 "[ . 1 . 2]" 1 1382 1 53 GLN QB 1 99 TYR QE . . 3.460 2.634 2.182 3.262 . 0 0 "[ . 1 . 2]" 1 1383 1 53 GLN QB 1 100 GLN HE21 . . 5.500 5.235 4.343 5.606 0.106 17 0 "[ . 1 . 2]" 1 1384 1 53 GLN HE21 1 57 VAL QG . . 4.520 3.431 2.753 4.520 . 5 0 "[ . 1 . 2]" 1 1385 1 53 GLN HE21 1 96 VAL QG . . 4.400 2.357 1.973 3.125 . 0 0 "[ . 1 . 2]" 1 1386 1 53 GLN HE21 1 99 TYR QD . . 5.030 3.358 1.962 5.112 0.082 12 0 "[ . 1 . 2]" 1 1387 1 53 GLN HE21 1 100 GLN HE21 . . 4.780 3.574 2.704 4.672 . 0 0 "[ . 1 . 2]" 1 1388 1 53 GLN HE21 1 100 GLN HE22 . . 4.910 4.668 4.040 4.993 0.083 4 0 "[ . 1 . 2]" 1 1389 1 53 GLN HE22 1 57 VAL QG . . 5.450 4.498 4.075 4.960 . 0 0 "[ . 1 . 2]" 1 1390 1 53 GLN HE22 1 96 VAL QG . . 4.410 2.522 2.100 3.104 . 0 0 "[ . 1 . 2]" 1 1391 1 53 GLN HE22 1 99 TYR QD . . 5.200 3.896 2.649 4.949 . 0 0 "[ . 1 . 2]" 1 1392 1 53 GLN HE22 1 100 GLN HE21 . . 4.060 2.724 1.735 4.093 0.033 19 0 "[ . 1 . 2]" 1 1393 1 53 GLN HE22 1 100 GLN HE22 . . 4.010 3.423 2.366 3.981 . 0 0 "[ . 1 . 2]" 1 1394 1 53 GLN HG2 1 54 LYS H . . 5.500 4.091 3.255 4.525 . 0 0 "[ . 1 . 2]" 1 1395 1 53 GLN HG2 1 54 LYS HA . . 5.500 4.151 3.163 4.572 . 0 0 "[ . 1 . 2]" 1 1396 1 53 GLN HG2 1 57 VAL QG . . 3.140 2.301 2.163 2.553 . 0 0 "[ . 1 . 2]" 1 1397 1 53 GLN HG2 1 96 VAL HA . . 5.500 4.174 3.966 4.801 . 0 0 "[ . 1 . 2]" 1 1398 1 53 GLN HG2 1 96 VAL QG . . 3.390 3.267 2.785 3.517 0.127 3 0 "[ . 1 . 2]" 1 1399 1 53 GLN HG2 1 99 TYR HB2 . . 5.500 4.881 4.424 5.623 0.123 3 0 "[ . 1 . 2]" 1 1400 1 53 GLN HG2 1 99 TYR HB3 . . 5.500 4.538 4.014 5.354 . 0 0 "[ . 1 . 2]" 1 1401 1 53 GLN HG2 1 99 TYR QD . . 3.870 4.001 3.953 4.412 0.542 3 1 "[ + . 1 . 2]" 1 1402 1 53 GLN HG2 1 99 TYR QE . . 5.500 4.586 4.301 4.830 . 0 0 "[ . 1 . 2]" 1 1403 1 53 GLN HG3 1 54 LYS H . . 5.430 4.836 4.218 5.085 . 0 0 "[ . 1 . 2]" 1 1404 1 53 GLN HG3 1 54 LYS HA . . 5.500 5.371 4.268 5.578 0.078 7 0 "[ . 1 . 2]" 1 1405 1 53 GLN HG3 1 57 VAL H . . 5.500 4.834 4.408 5.547 0.047 10 0 "[ . 1 . 2]" 1 1406 1 53 GLN HG3 1 57 VAL QG . . 4.130 2.714 2.446 3.284 . 0 0 "[ . 1 . 2]" 1 1407 1 53 GLN HG3 1 99 TYR HB3 . . 5.500 3.295 2.725 3.818 . 0 0 "[ . 1 . 2]" 1 1408 1 53 GLN HG3 1 99 TYR QD . . 4.540 2.533 2.320 2.851 . 0 0 "[ . 1 . 2]" 1 1409 1 53 GLN HG3 1 99 TYR QE . . 4.210 3.289 2.852 3.656 . 0 0 "[ . 1 . 2]" 1 1410 1 54 LYS H 1 54 LYS HB2 . . 3.090 2.476 2.256 2.997 . 0 0 "[ . 1 . 2]" 1 1411 1 54 LYS H 1 54 LYS HB3 . . 3.020 2.583 2.192 2.816 . 0 0 "[ . 1 . 2]" 1 1412 1 54 LYS H 1 54 LYS HG3 . . 4.920 4.540 4.053 4.662 . 0 0 "[ . 1 . 2]" 1 1413 1 54 LYS H 1 55 ASN H . . 3.470 2.928 2.711 3.135 . 0 0 "[ . 1 . 2]" 1 1414 1 54 LYS H 1 55 ASN HA . . 5.500 5.509 5.408 5.570 0.070 16 0 "[ . 1 . 2]" 1 1415 1 54 LYS H 1 57 VAL QG . . 5.500 4.562 3.734 4.821 . 0 0 "[ . 1 . 2]" 1 1416 1 54 LYS HA 1 54 LYS QD . . 4.590 3.278 2.694 3.687 . 0 0 "[ . 1 . 2]" 1 1417 1 54 LYS HA 1 54 LYS QE . . 5.500 4.595 4.018 5.055 . 0 0 "[ . 1 . 2]" 1 1418 1 54 LYS HA 1 55 ASN HA . . 4.860 4.742 4.607 4.862 0.002 1 0 "[ . 1 . 2]" 1 1419 1 54 LYS HA 1 56 PHE H . . 5.500 3.994 3.488 4.378 . 0 0 "[ . 1 . 2]" 1 1420 1 54 LYS HA 1 57 VAL H . . 4.510 3.307 2.668 3.574 . 0 0 "[ . 1 . 2]" 1 1421 1 54 LYS HA 1 57 VAL HA . . 5.500 5.381 4.732 5.579 0.079 3 0 "[ . 1 . 2]" 1 1422 1 54 LYS HA 1 57 VAL HB . . 3.930 2.813 2.282 4.026 0.096 12 0 "[ . 1 . 2]" 1 1423 1 54 LYS HA 1 57 VAL QG . . 4.520 3.463 1.883 3.844 . 0 0 "[ . 1 . 2]" 1 1424 1 54 LYS HA 1 58 HIS H . . 4.720 3.731 3.272 4.543 . 0 0 "[ . 1 . 2]" 1 1425 1 54 LYS HB2 1 55 ASN H . . 4.080 3.895 3.688 4.161 0.081 12 0 "[ . 1 . 2]" 1 1426 1 54 LYS HB3 1 55 ASN H . . 4.090 2.618 2.328 2.987 . 0 0 "[ . 1 . 2]" 1 1427 1 54 LYS QD 1 55 ASN HA . . 5.500 2.793 2.400 3.194 . 0 0 "[ . 1 . 2]" 1 1428 1 54 LYS QD 1 55 ASN HB3 . . 4.600 4.322 3.571 4.696 0.096 15 0 "[ . 1 . 2]" 1 1429 1 54 LYS QD 1 55 ASN QD . . 5.370 4.253 3.428 4.753 . 0 0 "[ . 1 . 2]" 1 1430 1 54 LYS QD 1 58 HIS QB . . 5.280 2.162 2.014 2.404 . 0 0 "[ . 1 . 2]" 1 1431 1 54 LYS QD 1 58 HIS HD2 . . 4.910 4.989 4.877 5.015 0.105 15 0 "[ . 1 . 2]" 1 1432 1 54 LYS QE 1 54 LYS HG2 . . 3.630 2.536 2.186 3.092 . 0 0 "[ . 1 . 2]" 1 1433 1 54 LYS QE 1 54 LYS HG3 . . 3.820 2.316 2.070 3.294 . 0 0 "[ . 1 . 2]" 1 1434 1 54 LYS QE 1 58 HIS QB . . 3.660 3.095 2.197 3.709 0.049 11 0 "[ . 1 . 2]" 1 1435 1 54 LYS HG2 1 55 ASN H . . 5.210 4.683 4.171 4.972 . 0 0 "[ . 1 . 2]" 1 1436 1 54 LYS HG2 1 55 ASN HA . . 5.500 5.063 4.550 5.571 0.071 7 0 "[ . 1 . 2]" 1 1437 1 54 LYS HG2 1 57 VAL HB . . 5.500 4.828 3.950 6.341 0.841 17 1 "[ . 1 . + 2]" 1 1438 1 54 LYS HG2 1 58 HIS QB . . 5.500 3.589 2.648 4.560 . 0 0 "[ . 1 . 2]" 1 1439 1 54 LYS HG3 1 55 ASN H . . 5.250 4.718 2.715 5.046 . 0 0 "[ . 1 . 2]" 1 1440 1 55 ASN H 1 55 ASN HB2 . . 3.370 2.960 2.476 3.781 0.411 18 0 "[ . 1 . 2]" 1 1441 1 55 ASN H 1 55 ASN HB3 . . 3.840 3.517 3.044 3.754 . 0 0 "[ . 1 . 2]" 1 1442 1 55 ASN H 1 55 ASN QD . . 4.710 3.213 2.290 3.860 . 0 0 "[ . 1 . 2]" 1 1443 1 55 ASN H 1 56 PHE H . . 3.840 2.754 2.494 2.856 . 0 0 "[ . 1 . 2]" 1 1444 1 55 ASN H 1 57 VAL H . . 5.290 4.282 4.058 4.548 . 0 0 "[ . 1 . 2]" 1 1445 1 55 ASN HA 1 57 VAL H . . 5.500 4.505 3.967 4.927 . 0 0 "[ . 1 . 2]" 1 1446 1 55 ASN HA 1 58 HIS H . . 4.280 3.834 3.159 4.087 . 0 0 "[ . 1 . 2]" 1 1447 1 55 ASN HA 1 58 HIS QB . . 4.190 3.317 2.379 3.867 . 0 0 "[ . 1 . 2]" 1 1448 1 56 PHE H 1 57 VAL H . . 3.920 2.315 1.937 2.532 . 0 0 "[ . 1 . 2]" 1 1449 1 56 PHE H 1 57 VAL HB . . 5.500 4.405 4.058 5.572 0.072 12 0 "[ . 1 . 2]" 1 1450 1 56 PHE H 1 58 HIS H . . 5.500 3.945 3.428 4.198 . 0 0 "[ . 1 . 2]" 1 1451 1 56 PHE HB2 1 57 VAL H . . 4.680 3.897 3.653 4.112 . 0 0 "[ . 1 . 2]" 1 1452 1 56 PHE HB2 1 57 VAL QG . . 5.500 4.174 3.728 4.470 . 0 0 "[ . 1 . 2]" 1 1453 1 56 PHE HB2 1 99 TYR QE . . 3.940 3.267 2.878 3.752 . 0 0 "[ . 1 . 2]" 1 1454 1 56 PHE HB3 1 57 VAL H . . 3.960 2.646 2.273 3.049 . 0 0 "[ . 1 . 2]" 1 1455 1 56 PHE HB3 1 57 VAL QG . . 5.360 2.643 2.148 2.971 . 0 0 "[ . 1 . 2]" 1 1456 1 56 PHE HB3 1 99 TYR QD . . 5.330 3.006 2.612 3.365 . 0 0 "[ . 1 . 2]" 1 1457 1 56 PHE HB3 1 99 TYR QE . . 5.500 3.746 3.395 4.322 . 0 0 "[ . 1 . 2]" 1 1458 1 56 PHE QD 1 57 VAL H . . 4.270 3.400 2.685 3.862 . 0 0 "[ . 1 . 2]" 1 1459 1 56 PHE QD 1 57 VAL HA . . 4.080 2.988 2.620 3.315 . 0 0 "[ . 1 . 2]" 1 1460 1 56 PHE QD 1 57 VAL HB . . 5.420 4.492 3.979 4.829 . 0 0 "[ . 1 . 2]" 1 1461 1 56 PHE QD 1 57 VAL QG . . 3.560 2.292 2.075 2.684 . 0 0 "[ . 1 . 2]" 1 1462 1 56 PHE QD 1 99 TYR H . . 5.180 4.427 4.096 4.947 . 0 0 "[ . 1 . 2]" 1 1463 1 56 PHE QD 1 99 TYR HB2 . . 5.500 2.582 2.329 2.890 . 0 0 "[ . 1 . 2]" 1 1464 1 56 PHE QD 1 99 TYR HB3 . . 4.440 4.095 3.908 4.329 . 0 0 "[ . 1 . 2]" 1 1465 1 56 PHE QD 1 99 TYR QD . . 3.730 2.927 2.683 3.201 . 0 0 "[ . 1 . 2]" 1 1466 1 56 PHE QE 1 57 VAL HA . . 4.900 4.662 4.058 4.987 0.087 4 0 "[ . 1 . 2]" 1 1467 1 56 PHE QE 1 57 VAL QG . . 4.280 3.678 3.205 4.065 . 0 0 "[ . 1 . 2]" 1 1468 1 56 PHE QE 1 95 CYS HA . . 4.750 3.611 3.300 4.022 . 0 0 "[ . 1 . 2]" 1 1469 1 56 PHE QE 1 98 GLN HB2 . . 5.030 4.378 3.862 5.115 0.085 20 0 "[ . 1 . 2]" 1 1470 1 56 PHE QE 1 98 GLN HB3 . . 5.500 2.739 2.187 3.560 . 0 0 "[ . 1 . 2]" 1 1471 1 56 PHE QE 1 98 GLN HG3 . . 4.940 3.840 3.315 4.724 . 0 0 "[ . 1 . 2]" 1 1472 1 56 PHE QE 1 99 TYR H . . 4.470 2.984 2.797 3.244 . 0 0 "[ . 1 . 2]" 1 1473 1 56 PHE QE 1 99 TYR HA . . 5.500 3.192 2.851 3.480 . 0 0 "[ . 1 . 2]" 1 1474 1 56 PHE QE 1 99 TYR HB2 . . 5.500 2.735 2.431 3.050 . 0 0 "[ . 1 . 2]" 1 1475 1 56 PHE QE 1 99 TYR HB3 . . 4.180 4.080 3.854 4.254 0.074 12 0 "[ . 1 . 2]" 1 1476 1 56 PHE QE 1 99 TYR QD . . 4.450 3.457 3.166 3.667 . 0 0 "[ . 1 . 2]" 1 1477 1 56 PHE QE 1 102 GLU HG3 . . 4.640 3.513 2.745 4.383 . 0 0 "[ . 1 . 2]" 1 1478 1 56 PHE HZ 1 98 GLN HA . . 5.500 5.228 4.783 5.579 0.079 20 0 "[ . 1 . 2]" 1 1479 1 56 PHE HZ 1 98 GLN HB2 . . 5.280 4.938 4.531 5.360 0.080 14 0 "[ . 1 . 2]" 1 1480 1 56 PHE HZ 1 98 GLN HB3 . . 3.990 3.444 2.925 3.855 . 0 0 "[ . 1 . 2]" 1 1481 1 56 PHE HZ 1 98 GLN HG3 . . 3.610 2.977 2.238 3.695 0.085 20 0 "[ . 1 . 2]" 1 1482 1 56 PHE HZ 1 99 TYR H . . 4.610 4.153 3.895 4.360 . 0 0 "[ . 1 . 2]" 1 1483 1 56 PHE HZ 1 99 TYR HA . . 5.470 3.106 2.810 3.336 . 0 0 "[ . 1 . 2]" 1 1484 1 56 PHE HZ 1 99 TYR QD . . 5.370 4.198 3.811 4.540 . 0 0 "[ . 1 . 2]" 1 1485 1 56 PHE HZ 1 102 GLU HG3 . . 4.210 2.938 2.255 4.275 0.065 20 0 "[ . 1 . 2]" 1 1486 1 57 VAL H 1 57 VAL HB . . 3.330 2.387 2.180 3.403 0.073 12 0 "[ . 1 . 2]" 1 1487 1 57 VAL H 1 57 VAL QG . . 3.460 2.284 1.999 2.579 . 0 0 "[ . 1 . 2]" 1 1488 1 57 VAL H 1 58 HIS H . . 3.830 2.613 2.353 2.864 . 0 0 "[ . 1 . 2]" 1 1489 1 57 VAL H 1 58 HIS HA . . 5.500 5.005 4.787 5.206 . 0 0 "[ . 1 . 2]" 1 1490 1 57 VAL H 1 60 CYS H . . 5.500 5.486 5.327 5.573 0.073 13 0 "[ . 1 . 2]" 1 1491 1 57 VAL HA 1 57 VAL QG . . 3.320 2.161 2.094 2.445 . 0 0 "[ . 1 . 2]" 1 1492 1 57 VAL HA 1 60 CYS H . . 5.000 4.229 3.959 4.366 . 0 0 "[ . 1 . 2]" 1 1493 1 57 VAL HA 1 60 CYS HA . . 5.500 5.494 5.334 5.598 0.098 8 0 "[ . 1 . 2]" 1 1494 1 57 VAL HA 1 60 CYS HB3 . . 4.160 2.684 2.322 3.606 . 0 0 "[ . 1 . 2]" 1 1495 1 57 VAL HA 1 61 VAL H . . 4.680 3.926 3.674 4.345 . 0 0 "[ . 1 . 2]" 1 1496 1 57 VAL HA 1 92 GLU QG . . 5.500 5.168 4.824 5.391 . 0 0 "[ . 1 . 2]" 1 1497 1 57 VAL HA 1 95 CYS HB3 . . 4.030 3.403 2.456 4.090 0.060 14 0 "[ . 1 . 2]" 1 1498 1 57 VAL HB 1 58 HIS H . . 3.640 3.252 2.765 3.738 0.098 12 0 "[ . 1 . 2]" 1 1499 1 57 VAL QG 1 58 HIS H . . 4.160 3.468 2.305 3.790 . 0 0 "[ . 1 . 2]" 1 1500 1 57 VAL QG 1 58 HIS HA . . 4.270 3.702 3.024 4.149 . 0 0 "[ . 1 . 2]" 1 1501 1 57 VAL QG 1 58 HIS HD2 . . 5.500 4.804 4.540 4.996 . 0 0 "[ . 1 . 2]" 1 1502 1 57 VAL QG 1 61 VAL H . . 4.500 3.929 3.473 4.311 . 0 0 "[ . 1 . 2]" 1 1503 1 57 VAL QG 1 92 GLU HA . . 5.270 3.194 2.812 3.773 . 0 0 "[ . 1 . 2]" 1 1504 1 57 VAL QG 1 92 GLU QG . . 3.690 2.348 2.053 2.606 . 0 0 "[ . 1 . 2]" 1 1505 1 57 VAL QG 1 95 CYS H . . 5.500 4.562 4.290 5.011 . 0 0 "[ . 1 . 2]" 1 1506 1 57 VAL QG 1 95 CYS HA . . 5.290 4.103 3.810 4.337 . 0 0 "[ . 1 . 2]" 1 1507 1 57 VAL QG 1 95 CYS HB2 . . 3.760 3.157 2.237 3.647 . 0 0 "[ . 1 . 2]" 1 1508 1 57 VAL QG 1 95 CYS HB3 . . 4.080 2.436 2.038 2.822 . 0 0 "[ . 1 . 2]" 1 1509 1 57 VAL QG 1 96 VAL H . . 4.680 3.350 3.065 3.663 . 0 0 "[ . 1 . 2]" 1 1510 1 57 VAL QG 1 96 VAL HA . . 3.290 2.547 2.032 3.112 . 0 0 "[ . 1 . 2]" 1 1511 1 57 VAL QG 1 96 VAL QG . . 3.120 2.288 1.965 2.649 . 0 0 "[ . 1 . 2]" 1 1512 1 57 VAL QG 1 98 GLN HB3 . . 5.500 5.165 4.715 5.423 . 0 0 "[ . 1 . 2]" 1 1513 1 57 VAL QG 1 99 TYR H . . 5.260 4.246 3.846 4.753 . 0 0 "[ . 1 . 2]" 1 1514 1 57 VAL QG 1 99 TYR HB2 . . 5.500 2.929 2.532 3.630 . 0 0 "[ . 1 . 2]" 1 1515 1 57 VAL QG 1 99 TYR HB3 . . 5.360 3.359 2.964 4.054 . 0 0 "[ . 1 . 2]" 1 1516 1 57 VAL QG 1 99 TYR QD . . 4.250 3.731 3.482 4.215 . 0 0 "[ . 1 . 2]" 1 1517 1 57 VAL QG 1 99 TYR QE . . 4.910 4.714 4.435 4.940 0.030 7 0 "[ . 1 . 2]" 1 1518 1 58 HIS H 1 58 HIS QB . . 3.660 2.360 2.225 2.448 . 0 0 "[ . 1 . 2]" 1 1519 1 58 HIS H 1 58 HIS HD2 . . 4.780 2.502 2.002 2.949 . 0 0 "[ . 1 . 2]" 1 1520 1 58 HIS H 1 59 ASP H . . 3.830 3.755 3.436 3.889 0.059 15 0 "[ . 1 . 2]" 1 1521 1 58 HIS H 1 60 CYS H . . 5.500 3.867 3.471 4.150 . 0 0 "[ . 1 . 2]" 1 1522 1 58 HIS H 1 61 VAL MG2 . . 5.500 4.992 4.582 5.288 . 0 0 "[ . 1 . 2]" 1 1523 1 58 HIS HA 1 59 ASP HA . . 4.740 4.663 4.561 4.773 0.033 13 0 "[ . 1 . 2]" 1 1524 1 58 HIS HA 1 60 CYS H . . 5.240 4.274 4.102 4.513 . 0 0 "[ . 1 . 2]" 1 1525 1 58 HIS HA 1 61 VAL H . . 4.560 4.405 4.034 4.633 0.073 5 0 "[ . 1 . 2]" 1 1526 1 58 HIS HA 1 61 VAL HB . . 4.150 4.172 3.802 4.231 0.081 11 0 "[ . 1 . 2]" 1 1527 1 58 HIS HA 1 61 VAL MG2 . . 4.650 4.440 3.848 4.639 . 0 0 "[ . 1 . 2]" 1 1528 1 58 HIS QB 1 58 HIS HD2 . . 3.390 3.264 3.164 3.330 . 0 0 "[ . 1 . 2]" 1 1529 1 58 HIS QB 1 59 ASP H . . 3.840 2.605 2.422 2.762 . 0 0 "[ . 1 . 2]" 1 1530 1 58 HIS HD2 1 59 ASP QB . . 4.320 3.748 3.144 4.165 . 0 0 "[ . 1 . 2]" 1 1531 1 58 HIS HD2 1 60 CYS HA . . 4.780 4.859 4.773 4.874 0.094 18 0 "[ . 1 . 2]" 1 1532 1 58 HIS HD2 1 60 CYS HB2 . . 4.680 3.896 2.985 5.151 0.471 11 0 "[ . 1 . 2]" 1 1533 1 58 HIS HD2 1 61 VAL H . . 4.980 4.727 4.478 4.905 . 0 0 "[ . 1 . 2]" 1 1534 1 59 ASP H 1 59 ASP QB . . 3.380 2.093 1.948 2.494 . 0 0 "[ . 1 . 2]" 1 1535 1 59 ASP H 1 60 CYS H . . 3.690 2.527 2.303 2.773 . 0 0 "[ . 1 . 2]" 1 1536 1 59 ASP H 1 60 CYS HB2 . . 5.500 5.139 4.591 6.221 0.721 8 3 "[* . + 1- . 2]" 1 1537 1 59 ASP H 1 61 VAL H . . 5.190 4.534 4.281 4.667 . 0 0 "[ . 1 . 2]" 1 1538 1 59 ASP H 1 61 VAL HB . . 5.500 5.494 5.140 5.574 0.074 18 0 "[ . 1 . 2]" 1 1539 1 59 ASP HA 1 61 VAL H . . 5.500 4.060 3.838 4.252 . 0 0 "[ . 1 . 2]" 1 1540 1 59 ASP HA 1 61 VAL MG1 . . 5.500 5.097 4.849 5.338 . 0 0 "[ . 1 . 2]" 1 1541 1 59 ASP HA 1 61 VAL MG2 . . 5.500 5.527 5.410 5.605 0.105 10 0 "[ . 1 . 2]" 1 1542 1 59 ASP HA 1 62 ASN H . . 3.950 2.634 2.467 2.741 . 0 0 "[ . 1 . 2]" 1 1543 1 59 ASP HA 1 62 ASN HA . . 4.470 4.543 4.526 4.566 0.096 13 0 "[ . 1 . 2]" 1 1544 1 59 ASP HA 1 62 ASN HB2 . . 3.790 2.776 2.431 3.093 . 0 0 "[ . 1 . 2]" 1 1545 1 59 ASP HA 1 62 ASN HB3 . . 3.550 2.169 2.012 2.394 . 0 0 "[ . 1 . 2]" 1 1546 1 59 ASP HA 1 62 ASN HD21 . . 4.960 3.639 3.405 4.137 . 0 0 "[ . 1 . 2]" 1 1547 1 59 ASP HA 1 62 ASN HD22 . . 5.500 5.213 4.994 5.554 0.054 5 0 "[ . 1 . 2]" 1 1548 1 59 ASP HA 1 63 ILE H . . 4.940 3.410 3.138 3.879 . 0 0 "[ . 1 . 2]" 1 1549 1 59 ASP HA 1 63 ILE MD . . 5.500 4.811 4.327 5.270 . 0 0 "[ . 1 . 2]" 1 1550 1 59 ASP HA 1 63 ILE QG . . 5.500 3.958 3.425 4.398 . 0 0 "[ . 1 . 2]" 1 1551 1 59 ASP QB 1 60 CYS H . . 3.750 3.215 2.934 3.520 . 0 0 "[ . 1 . 2]" 1 1552 1 59 ASP QB 1 63 ILE H . . 5.500 4.047 3.608 4.611 . 0 0 "[ . 1 . 2]" 1 1553 1 59 ASP QB 1 63 ILE MD . . 5.500 3.926 3.353 4.565 . 0 0 "[ . 1 . 2]" 1 1554 1 60 CYS H 1 60 CYS HB2 . . 3.540 2.816 2.410 3.594 0.054 11 0 "[ . 1 . 2]" 1 1555 1 60 CYS H 1 60 CYS HB3 . . 3.510 2.458 2.037 2.742 . 0 0 "[ . 1 . 2]" 1 1556 1 60 CYS H 1 61 VAL H . . 3.630 2.725 2.569 3.019 . 0 0 "[ . 1 . 2]" 1 1557 1 60 CYS H 1 61 VAL HA . . 5.500 5.341 5.187 5.546 0.046 6 0 "[ . 1 . 2]" 1 1558 1 60 CYS H 1 61 VAL HB . . 5.000 4.571 4.304 4.996 . 0 0 "[ . 1 . 2]" 1 1559 1 60 CYS H 1 61 VAL MG2 . . 4.850 4.521 4.314 4.859 0.009 6 0 "[ . 1 . 2]" 1 1560 1 60 CYS H 1 63 ILE H . . 5.500 4.687 4.585 4.783 . 0 0 "[ . 1 . 2]" 1 1561 1 60 CYS HA 1 61 VAL MG2 . . 5.330 5.139 5.028 5.268 . 0 0 "[ . 1 . 2]" 1 1562 1 60 CYS HA 1 63 ILE H . . 5.110 3.879 3.564 4.151 . 0 0 "[ . 1 . 2]" 1 1563 1 60 CYS HA 1 63 ILE HB . . 4.750 3.178 2.853 3.492 . 0 0 "[ . 1 . 2]" 1 1564 1 60 CYS HA 1 63 ILE QG . . 5.470 3.872 3.195 4.200 . 0 0 "[ . 1 . 2]" 1 1565 1 60 CYS HA 1 63 ILE MG . . 4.680 4.361 3.795 4.743 0.063 12 0 "[ . 1 . 2]" 1 1566 1 60 CYS HB2 1 61 VAL H . . 4.280 3.853 3.731 3.979 . 0 0 "[ . 1 . 2]" 1 1567 1 60 CYS HB2 1 61 VAL MG2 . . 5.110 4.899 4.541 5.192 0.082 12 0 "[ . 1 . 2]" 1 1568 1 60 CYS HB3 1 61 VAL H . . 3.990 2.758 2.370 3.793 . 0 0 "[ . 1 . 2]" 1 1569 1 60 CYS HB3 1 61 VAL MG2 . . 5.140 3.727 3.190 5.130 . 0 0 "[ . 1 . 2]" 1 1570 1 60 CYS HB3 1 95 CYS HB2 . . 5.500 4.993 4.143 6.256 0.756 8 2 "[ . + 1- . 2]" 1 1571 1 61 VAL H 1 61 VAL HB . . 3.200 2.296 2.162 2.495 . 0 0 "[ . 1 . 2]" 1 1572 1 61 VAL H 1 61 VAL MG1 . . 4.160 3.725 3.672 3.794 . 0 0 "[ . 1 . 2]" 1 1573 1 61 VAL H 1 61 VAL MG2 . . 3.220 2.347 2.251 2.539 . 0 0 "[ . 1 . 2]" 1 1574 1 61 VAL H 1 62 ASN H . . 3.550 2.810 2.657 2.914 . 0 0 "[ . 1 . 2]" 1 1575 1 61 VAL H 1 62 ASN HB2 . . 5.340 5.171 4.963 5.393 0.053 6 0 "[ . 1 . 2]" 1 1576 1 61 VAL H 1 63 ILE H . . 5.500 4.375 4.140 4.536 . 0 0 "[ . 1 . 2]" 1 1577 1 61 VAL HA 1 61 VAL MG1 . . 3.350 2.604 2.495 2.755 . 0 0 "[ . 1 . 2]" 1 1578 1 61 VAL HA 1 61 VAL MG2 . . 3.620 2.284 2.182 2.358 . 0 0 "[ . 1 . 2]" 1 1579 1 61 VAL HA 1 64 THR H . . 4.850 3.963 3.682 4.109 . 0 0 "[ . 1 . 2]" 1 1580 1 61 VAL HA 1 64 THR HB . . 3.950 3.157 2.988 3.708 . 0 0 "[ . 1 . 2]" 1 1581 1 61 VAL HA 1 65 ILE H . . 4.780 3.916 3.725 4.145 . 0 0 "[ . 1 . 2]" 1 1582 1 61 VAL HA 1 65 ILE HG13 . . 5.290 3.996 3.476 4.754 . 0 0 "[ . 1 . 2]" 1 1583 1 61 VAL HA 1 91 VAL HB . . 4.380 4.132 3.687 4.437 0.057 14 0 "[ . 1 . 2]" 1 1584 1 61 VAL HA 1 91 VAL MG1 . . 2.970 1.987 1.899 2.059 . 0 0 "[ . 1 . 2]" 1 1585 1 61 VAL HA 1 92 GLU H . . 5.500 5.145 4.786 5.409 . 0 0 "[ . 1 . 2]" 1 1586 1 61 VAL HB 1 62 ASN H . . 3.340 2.492 2.358 2.626 . 0 0 "[ . 1 . 2]" 1 1587 1 61 VAL HB 1 62 ASN HB2 . . 5.150 4.380 4.096 4.652 . 0 0 "[ . 1 . 2]" 1 1588 1 61 VAL HB 1 65 ILE MD . . 5.500 4.551 4.260 4.950 . 0 0 "[ . 1 . 2]" 1 1589 1 61 VAL HB 1 91 VAL MG1 . . 5.500 4.123 3.849 4.354 . 0 0 "[ . 1 . 2]" 1 1590 1 61 VAL MG1 1 62 ASN H . . 4.070 2.963 2.768 3.104 . 0 0 "[ . 1 . 2]" 1 1591 1 61 VAL MG1 1 62 ASN HA . . 4.120 3.093 2.857 3.301 . 0 0 "[ . 1 . 2]" 1 1592 1 61 VAL MG1 1 65 ILE H . . 5.500 4.090 3.857 4.294 . 0 0 "[ . 1 . 2]" 1 1593 1 61 VAL MG1 1 65 ILE HG13 . . 4.670 2.915 2.258 3.469 . 0 0 "[ . 1 . 2]" 1 1594 1 61 VAL MG1 1 88 GLU HA . . 3.980 3.485 3.090 3.948 . 0 0 "[ . 1 . 2]" 1 1595 1 61 VAL MG1 1 88 GLU HB3 . . 5.030 4.519 3.871 5.104 0.074 16 0 "[ . 1 . 2]" 1 1596 1 61 VAL MG1 1 91 VAL H . . 5.500 4.461 4.102 4.790 . 0 0 "[ . 1 . 2]" 1 1597 1 61 VAL MG1 1 92 GLU H . . 5.270 3.472 3.157 3.916 . 0 0 "[ . 1 . 2]" 1 1598 1 61 VAL MG2 1 62 ASN H . . 4.460 3.943 3.849 4.022 . 0 0 "[ . 1 . 2]" 1 1599 1 61 VAL MG2 1 64 THR HB . . 5.200 4.804 4.631 5.021 . 0 0 "[ . 1 . 2]" 1 1600 1 61 VAL MG2 1 64 THR MG . . 5.430 5.149 4.973 5.539 0.109 10 0 "[ . 1 . 2]" 1 1601 1 61 VAL MG2 1 65 ILE H . . 5.500 5.409 5.255 5.533 0.033 9 0 "[ . 1 . 2]" 1 1602 1 61 VAL MG2 1 65 ILE MD . . 4.180 4.210 3.995 4.308 0.128 11 0 "[ . 1 . 2]" 1 1603 1 61 VAL MG2 1 91 VAL MG1 . . 3.160 2.319 2.142 2.506 . 0 0 "[ . 1 . 2]" 1 1604 1 61 VAL MG2 1 92 GLU H . . 4.030 3.256 3.005 3.523 . 0 0 "[ . 1 . 2]" 1 1605 1 61 VAL MG2 1 92 GLU HA . . 2.960 2.099 1.971 2.313 . 0 0 "[ . 1 . 2]" 1 1606 1 61 VAL MG2 1 92 GLU HB2 . . 4.370 2.912 2.382 3.431 . 0 0 "[ . 1 . 2]" 1 1607 1 61 VAL MG2 1 92 GLU HB3 . . 4.620 4.028 3.683 4.267 . 0 0 "[ . 1 . 2]" 1 1608 1 61 VAL MG2 1 93 GLN H . . 5.120 4.926 4.791 5.120 0.000 17 0 "[ . 1 . 2]" 1 1609 1 61 VAL MG2 1 95 CYS HA . . 5.500 4.964 4.501 5.563 0.063 1 0 "[ . 1 . 2]" 1 1610 1 61 VAL MG2 1 95 CYS HB3 . . 4.440 3.130 2.671 3.708 . 0 0 "[ . 1 . 2]" 1 1611 1 62 ASN H 1 62 ASN HB2 . . 3.160 2.474 2.313 2.612 . 0 0 "[ . 1 . 2]" 1 1612 1 62 ASN H 1 63 ILE H . . 3.660 2.927 2.768 3.063 . 0 0 "[ . 1 . 2]" 1 1613 1 62 ASN H 1 65 ILE H . . 5.500 4.786 4.730 4.895 . 0 0 "[ . 1 . 2]" 1 1614 1 62 ASN H 1 65 ILE MD . . 5.290 4.570 4.226 4.962 . 0 0 "[ . 1 . 2]" 1 1615 1 62 ASN H 1 91 VAL MG1 . . 5.500 4.697 4.492 4.898 . 0 0 "[ . 1 . 2]" 1 1616 1 62 ASN HA 1 62 ASN HD22 . . 5.500 4.685 4.467 4.826 . 0 0 "[ . 1 . 2]" 1 1617 1 62 ASN HA 1 63 ILE HA . . 5.500 4.790 4.673 4.895 . 0 0 "[ . 1 . 2]" 1 1618 1 62 ASN HA 1 65 ILE H . . 4.820 3.694 3.484 3.914 . 0 0 "[ . 1 . 2]" 1 1619 1 62 ASN HA 1 65 ILE HB . . 4.140 2.453 2.252 2.656 . 0 0 "[ . 1 . 2]" 1 1620 1 62 ASN HA 1 65 ILE MD . . 5.270 3.088 2.659 3.561 . 0 0 "[ . 1 . 2]" 1 1621 1 62 ASN HA 1 66 LYS H . . 4.750 3.803 3.593 3.985 . 0 0 "[ . 1 . 2]" 1 1622 1 62 ASN HA 1 91 VAL MG1 . . 5.500 4.832 4.531 5.126 . 0 0 "[ . 1 . 2]" 1 1623 1 62 ASN HB2 1 63 ILE H . . 3.800 3.863 3.813 3.880 0.080 19 0 "[ . 1 . 2]" 1 1624 1 62 ASN HB2 1 63 ILE MD . . 5.420 5.210 4.391 5.514 0.094 6 0 "[ . 1 . 2]" 1 1625 1 62 ASN HB2 1 65 ILE HB . . 5.090 4.928 4.726 5.126 0.036 3 0 "[ . 1 . 2]" 1 1626 1 62 ASN HB2 1 65 ILE MG . . 5.140 4.953 4.682 5.202 0.062 2 0 "[ . 1 . 2]" 1 1627 1 62 ASN HB3 1 63 ILE H . . 3.670 2.496 2.395 2.663 . 0 0 "[ . 1 . 2]" 1 1628 1 62 ASN HB3 1 63 ILE HA . . 4.850 4.206 4.064 4.363 . 0 0 "[ . 1 . 2]" 1 1629 1 62 ASN HB3 1 63 ILE HB . . 5.140 4.720 4.288 4.980 . 0 0 "[ . 1 . 2]" 1 1630 1 62 ASN HB3 1 63 ILE MD . . 5.290 3.776 2.825 4.235 . 0 0 "[ . 1 . 2]" 1 1631 1 62 ASN HB3 1 65 ILE H . . 5.500 5.558 5.491 5.576 0.076 10 0 "[ . 1 . 2]" 1 1632 1 62 ASN HB3 1 65 ILE HB . . 5.340 5.133 4.959 5.385 0.045 11 0 "[ . 1 . 2]" 1 1633 1 62 ASN HB3 1 65 ILE MG . . 5.280 5.377 5.173 5.403 0.123 16 0 "[ . 1 . 2]" 1 1634 1 62 ASN HB3 1 66 LYS QD . . 5.420 5.043 4.239 5.511 0.091 7 0 "[ . 1 . 2]" 1 1635 1 62 ASN HD21 1 63 ILE H . . 5.500 3.989 3.121 4.801 . 0 0 "[ . 1 . 2]" 1 1636 1 62 ASN HD21 1 63 ILE MD . . 5.450 3.207 2.553 4.094 . 0 0 "[ . 1 . 2]" 1 1637 1 62 ASN HD21 1 63 ILE QG . . 5.500 3.876 2.283 5.090 . 0 0 "[ . 1 . 2]" 1 1638 1 62 ASN HD21 1 66 LYS QD . . 5.500 4.556 3.839 4.954 . 0 0 "[ . 1 . 2]" 1 1639 1 62 ASN HD22 1 63 ILE MD . . 5.500 3.834 3.125 4.843 . 0 0 "[ . 1 . 2]" 1 1640 1 62 ASN HD22 1 66 LYS QD . . 5.320 3.410 2.897 3.660 . 0 0 "[ . 1 . 2]" 1 1641 1 62 ASN HD22 1 66 LYS QE . . 5.500 5.413 4.249 5.602 0.102 4 0 "[ . 1 . 2]" 1 1642 1 63 ILE H 1 63 ILE HB . . 3.360 2.423 2.187 2.582 . 0 0 "[ . 1 . 2]" 1 1643 1 63 ILE H 1 63 ILE MD . . 4.610 3.354 2.887 3.772 . 0 0 "[ . 1 . 2]" 1 1644 1 63 ILE H 1 63 ILE QG . . 3.550 2.566 2.330 2.769 . 0 0 "[ . 1 . 2]" 1 1645 1 63 ILE H 1 63 ILE MG . . 4.300 3.789 3.629 3.874 . 0 0 "[ . 1 . 2]" 1 1646 1 63 ILE H 1 64 THR H . . 3.620 2.901 2.755 3.357 . 0 0 "[ . 1 . 2]" 1 1647 1 63 ILE H 1 65 ILE H . . 5.500 4.137 3.891 4.258 . 0 0 "[ . 1 . 2]" 1 1648 1 63 ILE HA 1 63 ILE MD . . 3.580 2.104 2.043 2.211 . 0 0 "[ . 1 . 2]" 1 1649 1 63 ILE HA 1 63 ILE QG . . 3.850 3.007 2.771 3.137 . 0 0 "[ . 1 . 2]" 1 1650 1 63 ILE HA 1 64 THR HB . . 5.500 5.591 5.578 5.597 0.097 20 0 "[ . 1 . 2]" 1 1651 1 63 ILE HA 1 66 LYS H . . 4.020 3.413 3.108 3.667 . 0 0 "[ . 1 . 2]" 1 1652 1 63 ILE HA 1 66 LYS QB . . 4.080 2.790 2.285 3.166 . 0 0 "[ . 1 . 2]" 1 1653 1 63 ILE HA 1 66 LYS QD . . 5.150 4.640 3.698 5.218 0.068 10 0 "[ . 1 . 2]" 1 1654 1 63 ILE HA 1 66 LYS HG2 . . 5.490 4.806 4.295 5.358 . 0 0 "[ . 1 . 2]" 1 1655 1 63 ILE HA 1 67 GLN H . . 5.050 4.093 3.849 4.284 . 0 0 "[ . 1 . 2]" 1 1656 1 63 ILE HB 1 64 THR H . . 3.790 2.595 2.438 2.919 . 0 0 "[ . 1 . 2]" 1 1657 1 63 ILE MD 1 63 ILE MG . . 3.880 2.221 2.118 2.456 . 0 0 "[ . 1 . 2]" 1 1658 1 63 ILE MD 1 64 THR H . . 5.500 4.740 4.654 4.894 . 0 0 "[ . 1 . 2]" 1 1659 1 63 ILE MD 1 66 LYS H . . 5.500 4.815 4.502 5.028 . 0 0 "[ . 1 . 2]" 1 1660 1 63 ILE MD 1 66 LYS QB . . 5.470 3.506 3.067 3.723 . 0 0 "[ . 1 . 2]" 1 1661 1 63 ILE MD 1 66 LYS QD . . 4.960 4.781 3.934 5.067 0.107 4 0 "[ . 1 . 2]" 1 1662 1 63 ILE MD 1 67 GLN QE . . 5.190 4.333 3.048 5.030 . 0 0 "[ . 1 . 2]" 1 1663 1 63 ILE MD 1 67 GLN HG2 . . 5.500 4.745 4.267 5.175 . 0 0 "[ . 1 . 2]" 1 1664 1 63 ILE QG 1 64 THR H . . 5.290 4.263 4.082 4.607 . 0 0 "[ . 1 . 2]" 1 1665 1 63 ILE MG 1 64 THR H . . 4.240 3.006 2.660 3.205 . 0 0 "[ . 1 . 2]" 1 1666 1 63 ILE MG 1 64 THR HA . . 4.750 3.204 3.010 3.375 . 0 0 "[ . 1 . 2]" 1 1667 1 63 ILE MG 1 64 THR HB . . 4.840 4.667 4.087 4.917 0.077 18 0 "[ . 1 . 2]" 1 1668 1 63 ILE MG 1 66 LYS H . . 5.500 4.866 4.583 5.088 . 0 0 "[ . 1 . 2]" 1 1669 1 63 ILE MG 1 66 LYS QB . . 5.500 4.175 3.695 4.416 . 0 0 "[ . 1 . 2]" 1 1670 1 63 ILE MG 1 67 GLN H . . 5.490 4.202 4.018 4.337 . 0 0 "[ . 1 . 2]" 1 1671 1 63 ILE MG 1 67 GLN HA . . 5.500 5.238 5.023 5.505 0.005 13 0 "[ . 1 . 2]" 1 1672 1 63 ILE MG 1 67 GLN HB2 . . 5.500 4.483 3.962 5.239 . 0 0 "[ . 1 . 2]" 1 1673 1 63 ILE MG 1 67 GLN QE . . 5.500 3.452 2.051 4.458 . 0 0 "[ . 1 . 2]" 1 1674 1 63 ILE MG 1 67 GLN HG2 . . 4.810 2.696 2.248 3.315 . 0 0 "[ . 1 . 2]" 1 1675 1 63 ILE MG 1 67 GLN HG3 . . 5.150 3.407 2.880 3.791 . 0 0 "[ . 1 . 2]" 1 1676 1 64 THR H 1 64 THR HB . . 3.380 2.269 2.065 2.393 . 0 0 "[ . 1 . 2]" 1 1677 1 64 THR H 1 64 THR MG . . 4.770 3.682 3.518 3.742 . 0 0 "[ . 1 . 2]" 1 1678 1 64 THR H 1 67 GLN HG2 . . 5.500 4.519 4.164 5.007 . 0 0 "[ . 1 . 2]" 1 1679 1 64 THR HA 1 64 THR MG . . 3.710 2.461 2.351 2.716 . 0 0 "[ . 1 . 2]" 1 1680 1 64 THR HA 1 65 ILE HA . . 5.140 4.876 4.807 4.932 . 0 0 "[ . 1 . 2]" 1 1681 1 64 THR HA 1 68 HIS HD2 . . 4.500 4.472 4.268 4.572 0.072 11 0 "[ . 1 . 2]" 1 1682 1 64 THR HB 1 65 ILE H . . 3.660 2.489 2.292 2.781 . 0 0 "[ . 1 . 2]" 1 1683 1 64 THR HB 1 65 ILE HA . . 5.180 4.453 4.230 4.855 . 0 0 "[ . 1 . 2]" 1 1684 1 64 THR HB 1 65 ILE HG13 . . 5.500 3.924 3.576 4.352 . 0 0 "[ . 1 . 2]" 1 1685 1 64 THR HB 1 91 VAL MG1 . . 3.500 2.199 1.991 2.734 . 0 0 "[ . 1 . 2]" 1 1686 1 64 THR HB 1 91 VAL MG2 . . 5.500 3.553 2.759 3.985 . 0 0 "[ . 1 . 2]" 1 1687 1 64 THR MG 1 65 ILE H . . 4.680 3.317 2.868 3.669 . 0 0 "[ . 1 . 2]" 1 1688 1 64 THR MG 1 65 ILE HA . . 4.840 3.525 3.246 3.751 . 0 0 "[ . 1 . 2]" 1 1689 1 64 THR MG 1 65 ILE HG13 . . 4.620 3.968 3.299 4.442 . 0 0 "[ . 1 . 2]" 1 1690 1 64 THR MG 1 67 GLN HG2 . . 4.980 4.654 4.130 5.078 0.098 6 0 "[ . 1 . 2]" 1 1691 1 64 THR MG 1 68 HIS H . . 5.250 4.246 3.923 4.982 . 0 0 "[ . 1 . 2]" 1 1692 1 64 THR MG 1 68 HIS HB2 . . 5.500 5.526 5.024 5.616 0.116 18 0 "[ . 1 . 2]" 1 1693 1 64 THR MG 1 68 HIS HB3 . . 5.500 4.221 3.710 4.402 . 0 0 "[ . 1 . 2]" 1 1694 1 64 THR MG 1 68 HIS HD2 . . 3.170 2.757 2.603 2.984 . 0 0 "[ . 1 . 2]" 1 1695 1 64 THR MG 1 91 VAL HA . . 5.500 4.008 3.566 4.275 . 0 0 "[ . 1 . 2]" 1 1696 1 64 THR MG 1 91 VAL MG1 . . 3.790 2.258 2.072 2.793 . 0 0 "[ . 1 . 2]" 1 1697 1 64 THR MG 1 91 VAL MG2 . . 3.870 2.296 1.888 2.877 . 0 0 "[ . 1 . 2]" 1 1698 1 65 ILE H 1 65 ILE HB . . 3.170 2.148 2.065 2.206 . 0 0 "[ . 1 . 2]" 1 1699 1 65 ILE H 1 65 ILE MD . . 4.580 3.790 3.559 3.969 . 0 0 "[ . 1 . 2]" 1 1700 1 65 ILE H 1 65 ILE HG12 . . 4.280 3.720 3.143 4.189 . 0 0 "[ . 1 . 2]" 1 1701 1 65 ILE H 1 65 ILE HG13 . . 3.610 2.646 2.390 3.201 . 0 0 "[ . 1 . 2]" 1 1702 1 65 ILE H 1 65 ILE MG . . 4.140 3.601 3.434 3.686 . 0 0 "[ . 1 . 2]" 1 1703 1 65 ILE H 1 66 LYS H . . 3.400 2.854 2.709 2.974 . 0 0 "[ . 1 . 2]" 1 1704 1 65 ILE H 1 91 VAL MG1 . . 3.940 2.810 2.553 3.025 . 0 0 "[ . 1 . 2]" 1 1705 1 65 ILE H 1 91 VAL MG2 . . 5.500 3.820 3.550 4.018 . 0 0 "[ . 1 . 2]" 1 1706 1 65 ILE HA 1 65 ILE MD . . 4.380 3.639 3.513 3.700 . 0 0 "[ . 1 . 2]" 1 1707 1 65 ILE HA 1 65 ILE HG12 . . 3.730 2.216 2.106 2.313 . 0 0 "[ . 1 . 2]" 1 1708 1 65 ILE HA 1 65 ILE HG13 . . 4.220 2.723 2.393 3.234 . 0 0 "[ . 1 . 2]" 1 1709 1 65 ILE HA 1 65 ILE MG . . 3.450 2.867 2.778 3.044 . 0 0 "[ . 1 . 2]" 1 1710 1 65 ILE HA 1 66 LYS HA . . 4.690 4.564 4.476 4.664 . 0 0 "[ . 1 . 2]" 1 1711 1 65 ILE HA 1 67 GLN H . . 4.420 4.198 4.022 4.428 0.008 11 0 "[ . 1 . 2]" 1 1712 1 65 ILE HA 1 68 HIS H . . 4.460 3.729 3.461 3.937 . 0 0 "[ . 1 . 2]" 1 1713 1 65 ILE HA 1 68 HIS HB3 . . 4.710 4.758 4.621 4.792 0.082 9 0 "[ . 1 . 2]" 1 1714 1 65 ILE HA 1 68 HIS HD2 . . 4.420 2.362 2.231 2.531 . 0 0 "[ . 1 . 2]" 1 1715 1 65 ILE HA 1 69 THR H . . 5.100 4.438 3.985 5.160 0.060 13 0 "[ . 1 . 2]" 1 1716 1 65 ILE HA 1 69 THR MG . . 5.380 5.106 4.672 5.314 . 0 0 "[ . 1 . 2]" 1 1717 1 65 ILE HA 1 87 MET ME . . 4.560 3.781 3.393 4.366 . 0 0 "[ . 1 . 2]" 1 1718 1 65 ILE HB 1 65 ILE MD . . 3.570 2.422 2.213 2.738 . 0 0 "[ . 1 . 2]" 1 1719 1 65 ILE HB 1 66 LYS H . . 3.530 2.647 2.411 3.026 . 0 0 "[ . 1 . 2]" 1 1720 1 65 ILE HB 1 66 LYS QD . . 4.840 4.090 2.885 4.921 0.081 1 0 "[ . 1 . 2]" 1 1721 1 65 ILE HB 1 69 THR MG . . 5.500 5.464 4.994 5.603 0.103 9 0 "[ . 1 . 2]" 1 1722 1 65 ILE HB 1 87 MET ME . . 5.110 5.010 4.674 5.242 0.132 16 0 "[ . 1 . 2]" 1 1723 1 65 ILE MD 1 65 ILE MG . . 2.910 1.980 1.877 2.067 . 0 0 "[ . 1 . 2]" 1 1724 1 65 ILE MD 1 66 LYS H . . 5.500 4.599 4.447 4.784 . 0 0 "[ . 1 . 2]" 1 1725 1 65 ILE MD 1 66 LYS HA . . 5.500 5.621 5.609 5.631 0.131 15 0 "[ . 1 . 2]" 1 1726 1 65 ILE MD 1 66 LYS QD . . 5.460 4.907 4.199 5.554 0.094 12 0 "[ . 1 . 2]" 1 1727 1 65 ILE MD 1 66 LYS QE . . 5.210 4.871 4.093 5.314 0.104 11 0 "[ . 1 . 2]" 1 1728 1 65 ILE MD 1 87 MET H . . 5.500 5.558 5.032 5.614 0.114 19 0 "[ . 1 . 2]" 1 1729 1 65 ILE MD 1 87 MET HB2 . . 4.890 4.085 3.553 4.427 . 0 0 "[ . 1 . 2]" 1 1730 1 65 ILE MD 1 87 MET HB3 . . 5.330 5.252 4.777 5.433 0.103 10 0 "[ . 1 . 2]" 1 1731 1 65 ILE MD 1 87 MET ME . . 4.240 3.463 2.943 4.090 . 0 0 "[ . 1 . 2]" 1 1732 1 65 ILE MD 1 87 MET QG . . 5.060 3.515 2.616 4.237 . 0 0 "[ . 1 . 2]" 1 1733 1 65 ILE MD 1 88 GLU H . . 4.700 3.799 3.209 4.066 . 0 0 "[ . 1 . 2]" 1 1734 1 65 ILE MD 1 88 GLU HA . . 3.230 2.010 1.873 2.323 . 0 0 "[ . 1 . 2]" 1 1735 1 65 ILE MD 1 88 GLU HB2 . . 5.500 4.330 4.082 4.630 . 0 0 "[ . 1 . 2]" 1 1736 1 65 ILE MD 1 88 GLU HB3 . . 5.160 3.888 3.123 4.242 . 0 0 "[ . 1 . 2]" 1 1737 1 65 ILE MD 1 88 GLU HG2 . . 4.220 2.616 2.328 2.876 . 0 0 "[ . 1 . 2]" 1 1738 1 65 ILE MD 1 88 GLU HG3 . . 3.580 3.696 2.733 4.233 0.653 8 5 "[ * -. + 1 *.* 2]" 1 1739 1 65 ILE MD 1 89 ARG H . . 5.500 4.801 4.616 4.996 . 0 0 "[ . 1 . 2]" 1 1740 1 65 ILE MD 1 90 VAL H . . 5.500 5.458 5.171 5.595 0.095 1 0 "[ . 1 . 2]" 1 1741 1 65 ILE MD 1 91 VAL H . . 5.030 4.149 3.877 4.426 . 0 0 "[ . 1 . 2]" 1 1742 1 65 ILE MD 1 91 VAL HB . . 4.860 2.940 2.708 3.174 . 0 0 "[ . 1 . 2]" 1 1743 1 65 ILE MD 1 91 VAL MG1 . . 3.630 3.329 2.981 3.608 . 0 0 "[ . 1 . 2]" 1 1744 1 65 ILE HG12 1 65 ILE MG . . 3.430 2.655 2.494 2.875 . 0 0 "[ . 1 . 2]" 1 1745 1 65 ILE HG12 1 66 LYS H . . 5.500 4.889 4.750 5.027 . 0 0 "[ . 1 . 2]" 1 1746 1 65 ILE HG12 1 68 HIS HD2 . . 4.110 4.073 3.819 4.175 0.065 12 0 "[ . 1 . 2]" 1 1747 1 65 ILE HG12 1 68 HIS HE1 . . 4.690 4.226 3.592 4.766 0.076 8 0 "[ . 1 . 2]" 1 1748 1 65 ILE HG12 1 87 MET QG . . 5.240 3.992 2.711 4.598 . 0 0 "[ . 1 . 2]" 1 1749 1 65 ILE HG13 1 91 VAL MG1 . . 4.640 2.289 2.062 2.701 . 0 0 "[ . 1 . 2]" 1 1750 1 65 ILE MG 1 66 LYS H . . 4.220 2.533 2.382 2.848 . 0 0 "[ . 1 . 2]" 1 1751 1 65 ILE MG 1 66 LYS HA . . 4.570 2.804 2.748 2.876 . 0 0 "[ . 1 . 2]" 1 1752 1 65 ILE MG 1 66 LYS QB . . 4.930 3.507 3.194 4.016 . 0 0 "[ . 1 . 2]" 1 1753 1 65 ILE MG 1 66 LYS QD . . 5.500 2.517 2.047 3.363 . 0 0 "[ . 1 . 2]" 1 1754 1 65 ILE MG 1 66 LYS QE . . 5.500 2.364 1.837 2.819 . 0 0 "[ . 1 . 2]" 1 1755 1 65 ILE MG 1 66 LYS HG2 . . 5.500 4.704 4.389 5.018 . 0 0 "[ . 1 . 2]" 1 1756 1 65 ILE MG 1 66 LYS HG3 . . 4.650 4.303 3.933 4.572 . 0 0 "[ . 1 . 2]" 1 1757 1 65 ILE MG 1 67 GLN H . . 5.500 4.540 4.392 4.685 . 0 0 "[ . 1 . 2]" 1 1758 1 65 ILE MG 1 69 THR H . . 5.500 4.373 3.754 4.921 . 0 0 "[ . 1 . 2]" 1 1759 1 65 ILE MG 1 69 THR HA . . 5.500 5.151 4.773 5.563 0.063 20 0 "[ . 1 . 2]" 1 1760 1 65 ILE MG 1 69 THR HB . . 5.500 3.071 2.544 3.435 . 0 0 "[ . 1 . 2]" 1 1761 1 65 ILE MG 1 69 THR MG . . 3.620 2.882 2.346 3.168 . 0 0 "[ . 1 . 2]" 1 1762 1 65 ILE MG 1 87 MET ME . . 3.420 2.648 2.122 3.119 . 0 0 "[ . 1 . 2]" 1 1763 1 65 ILE MG 1 88 GLU HG2 . . 5.450 4.081 3.797 4.494 . 0 0 "[ . 1 . 2]" 1 1764 1 66 LYS H 1 66 LYS QB . . 3.160 2.152 2.082 2.263 . 0 0 "[ . 1 . 2]" 1 1765 1 66 LYS H 1 66 LYS QD . . 4.940 3.052 2.230 3.783 . 0 0 "[ . 1 . 2]" 1 1766 1 66 LYS H 1 66 LYS HG2 . . 4.450 4.356 4.023 4.523 0.073 14 0 "[ . 1 . 2]" 1 1767 1 66 LYS H 1 66 LYS HG3 . . 4.560 4.326 3.998 4.464 . 0 0 "[ . 1 . 2]" 1 1768 1 66 LYS H 1 67 GLN H . . 3.300 2.774 2.669 2.945 . 0 0 "[ . 1 . 2]" 1 1769 1 66 LYS H 1 69 THR MG . . 5.320 5.031 4.808 5.258 . 0 0 "[ . 1 . 2]" 1 1770 1 66 LYS HA 1 66 LYS QD . . 4.560 2.890 2.433 3.329 . 0 0 "[ . 1 . 2]" 1 1771 1 66 LYS HA 1 66 LYS QE . . 4.470 2.236 1.906 3.077 . 0 0 "[ . 1 . 2]" 1 1772 1 66 LYS HA 1 66 LYS HG2 . . 4.130 3.620 3.538 3.733 . 0 0 "[ . 1 . 2]" 1 1773 1 66 LYS HA 1 66 LYS HG3 . . 4.070 2.511 2.269 2.728 . 0 0 "[ . 1 . 2]" 1 1774 1 66 LYS HA 1 69 THR H . . 4.150 3.213 2.606 3.690 . 0 0 "[ . 1 . 2]" 1 1775 1 66 LYS HA 1 69 THR HB . . 3.970 2.095 1.934 2.513 . 0 0 "[ . 1 . 2]" 1 1776 1 66 LYS HA 1 69 THR MG . . 4.400 3.151 2.632 3.593 . 0 0 "[ . 1 . 2]" 1 1777 1 66 LYS HA 1 70 VAL QG . . 5.500 2.928 2.488 3.319 . 0 0 "[ . 1 . 2]" 1 1778 1 66 LYS QB 1 67 GLN H . . 3.450 3.049 2.706 3.235 . 0 0 "[ . 1 . 2]" 1 1779 1 66 LYS QB 1 67 GLN QE . . 5.500 3.597 2.657 4.471 . 0 0 "[ . 1 . 2]" 1 1780 1 66 LYS QB 1 69 THR H . . 5.500 4.763 4.377 4.979 . 0 0 "[ . 1 . 2]" 1 1781 1 66 LYS QB 1 70 VAL QG . . 4.880 3.374 2.698 3.753 . 0 0 "[ . 1 . 2]" 1 1782 1 66 LYS QD 1 69 THR HB . . 4.970 4.308 3.584 5.040 0.070 20 0 "[ . 1 . 2]" 1 1783 1 66 LYS QD 1 69 THR MG . . 3.820 3.899 3.694 3.949 0.129 18 0 "[ . 1 . 2]" 1 1784 1 66 LYS QD 1 70 VAL QG . . 4.080 3.603 3.376 3.843 . 0 0 "[ . 1 . 2]" 1 1785 1 66 LYS QE 1 66 LYS HG3 . . 3.710 2.281 2.088 2.498 . 0 0 "[ . 1 . 2]" 1 1786 1 66 LYS QE 1 69 THR H . . 4.820 4.619 4.316 4.927 0.107 15 0 "[ . 1 . 2]" 1 1787 1 66 LYS QE 1 69 THR HB . . 5.500 2.786 2.457 3.307 . 0 0 "[ . 1 . 2]" 1 1788 1 66 LYS QE 1 69 THR MG . . 4.100 2.176 1.855 2.761 . 0 0 "[ . 1 . 2]" 1 1789 1 66 LYS QE 1 70 VAL HA . . 5.500 5.433 4.949 5.591 0.091 14 0 "[ . 1 . 2]" 1 1790 1 66 LYS QE 1 70 VAL HB . . 4.800 4.579 3.716 4.889 0.089 20 0 "[ . 1 . 2]" 1 1791 1 66 LYS QE 1 70 VAL QG . . 5.060 2.517 1.939 2.818 . 0 0 "[ . 1 . 2]" 1 1792 1 66 LYS HG2 1 67 GLN H . . 5.500 5.461 5.182 5.577 0.077 10 0 "[ . 1 . 2]" 1 1793 1 66 LYS HG2 1 70 VAL QG . . 4.950 3.291 2.783 3.561 . 0 0 "[ . 1 . 2]" 1 1794 1 66 LYS HG3 1 67 GLN H . . 5.330 5.104 4.777 5.391 0.061 6 0 "[ . 1 . 2]" 1 1795 1 66 LYS HG3 1 70 VAL QG . . 4.480 2.114 1.908 2.258 . 0 0 "[ . 1 . 2]" 1 1796 1 66 LYS HG3 1 71 THR H . . 5.500 5.336 4.693 5.578 0.078 12 0 "[ . 1 . 2]" 1 1797 1 67 GLN H 1 67 GLN HB2 . . 3.200 2.550 2.290 2.738 . 0 0 "[ . 1 . 2]" 1 1798 1 67 GLN H 1 67 GLN HB3 . . 4.160 3.628 3.541 3.691 . 0 0 "[ . 1 . 2]" 1 1799 1 67 GLN H 1 67 GLN QE . . 5.500 3.628 2.666 4.528 . 0 0 "[ . 1 . 2]" 1 1800 1 67 GLN H 1 67 GLN HG2 . . 3.710 2.707 2.045 3.061 . 0 0 "[ . 1 . 2]" 1 1801 1 67 GLN H 1 67 GLN HG3 . . 4.180 3.899 3.036 4.192 0.012 14 0 "[ . 1 . 2]" 1 1802 1 67 GLN H 1 68 HIS H . . 3.870 2.808 2.614 3.011 . 0 0 "[ . 1 . 2]" 1 1803 1 67 GLN H 1 68 HIS HB3 . . 5.480 5.103 4.692 5.390 . 0 0 "[ . 1 . 2]" 1 1804 1 67 GLN H 1 68 HIS HD2 . . 4.350 4.410 4.282 4.432 0.082 10 0 "[ . 1 . 2]" 1 1805 1 67 GLN H 1 69 THR H . . 4.050 3.837 3.688 4.123 0.073 13 0 "[ . 1 . 2]" 1 1806 1 67 GLN H 1 70 VAL H . . 5.050 4.791 4.547 4.932 . 0 0 "[ . 1 . 2]" 1 1807 1 67 GLN H 1 70 VAL QG . . 5.500 5.029 3.940 5.251 . 0 0 "[ . 1 . 2]" 1 1808 1 67 GLN HA 1 67 GLN QE . . 4.640 2.592 1.956 3.756 . 0 0 "[ . 1 . 2]" 1 1809 1 67 GLN HA 1 67 GLN HG2 . . 3.920 3.370 2.748 3.721 . 0 0 "[ . 1 . 2]" 1 1810 1 67 GLN HA 1 69 THR H . . 5.140 4.038 3.581 4.544 . 0 0 "[ . 1 . 2]" 1 1811 1 67 GLN HA 1 71 THR H . . 3.940 2.839 2.489 3.522 . 0 0 "[ . 1 . 2]" 1 1812 1 67 GLN HA 1 71 THR HB . . 5.250 2.203 1.890 2.604 . 0 0 "[ . 1 . 2]" 1 1813 1 67 GLN HA 1 71 THR MG . . 4.120 2.880 1.891 3.601 . 0 0 "[ . 1 . 2]" 1 1814 1 67 GLN HB2 1 68 HIS H . . 4.160 2.645 2.013 3.471 . 0 0 "[ . 1 . 2]" 1 1815 1 67 GLN HB2 1 68 HIS HD2 . . 4.590 4.152 3.605 4.391 . 0 0 "[ . 1 . 2]" 1 1816 1 67 GLN HB2 1 69 THR H . . 5.500 4.817 4.438 5.328 . 0 0 "[ . 1 . 2]" 1 1817 1 67 GLN HB2 1 71 THR HB . . 5.420 4.766 4.292 5.510 0.090 8 0 "[ . 1 . 2]" 1 1818 1 67 GLN HB2 1 71 THR MG . . 4.610 3.968 3.584 4.725 0.115 18 0 "[ . 1 . 2]" 1 1819 1 67 GLN HB3 1 68 HIS H . . 4.300 3.553 3.093 4.208 . 0 0 "[ . 1 . 2]" 1 1820 1 67 GLN HB3 1 68 HIS HA . . 4.930 4.395 3.910 4.845 . 0 0 "[ . 1 . 2]" 1 1821 1 67 GLN HB3 1 68 HIS HD2 . . 5.500 5.509 5.183 5.579 0.079 18 0 "[ . 1 . 2]" 1 1822 1 67 GLN HB3 1 71 THR MG . . 3.930 2.681 2.203 3.528 . 0 0 "[ . 1 . 2]" 1 1823 1 67 GLN QE 1 70 VAL QG . . 5.500 4.612 3.713 5.038 . 0 0 "[ . 1 . 2]" 1 1824 1 67 GLN QE 1 71 THR MG . . 5.500 3.543 2.054 4.888 . 0 0 "[ . 1 . 2]" 1 1825 1 67 GLN HG2 1 68 HIS H . . 5.020 4.528 4.081 5.076 0.056 16 0 "[ . 1 . 2]" 1 1826 1 67 GLN HG3 1 68 HIS H . . 5.500 5.048 4.094 5.595 0.095 18 0 "[ . 1 . 2]" 1 1827 1 68 HIS H 1 68 HIS HB2 . . 3.880 3.669 3.467 3.932 0.052 18 0 "[ . 1 . 2]" 1 1828 1 68 HIS H 1 68 HIS HB3 . . 3.430 2.506 2.178 3.023 . 0 0 "[ . 1 . 2]" 1 1829 1 68 HIS H 1 68 HIS HD2 . . 3.860 2.733 2.446 3.369 . 0 0 "[ . 1 . 2]" 1 1830 1 68 HIS H 1 69 THR H . . 3.470 2.564 1.863 3.070 . 0 0 "[ . 1 . 2]" 1 1831 1 68 HIS HA 1 69 THR HB . . 5.500 5.498 5.201 5.573 0.073 4 0 "[ . 1 . 2]" 1 1832 1 68 HIS HA 1 71 THR H . . 5.440 4.767 4.346 5.138 . 0 0 "[ . 1 . 2]" 1 1833 1 68 HIS HA 1 71 THR MG . . 5.140 3.279 2.783 3.778 . 0 0 "[ . 1 . 2]" 1 1834 1 68 HIS HA 1 72 THR H . . 5.270 3.520 3.222 3.994 . 0 0 "[ . 1 . 2]" 1 1835 1 68 HIS HA 1 72 THR MG . . 5.210 3.823 3.181 4.724 . 0 0 "[ . 1 . 2]" 1 1836 1 68 HIS HB2 1 68 HIS HE1 . . 4.970 4.810 4.734 4.933 . 0 0 "[ . 1 . 2]" 1 1837 1 68 HIS HB2 1 69 THR H . . 4.880 4.442 4.140 4.598 . 0 0 "[ . 1 . 2]" 1 1838 1 68 HIS HB2 1 71 THR MG . . 5.500 5.109 4.717 5.378 . 0 0 "[ . 1 . 2]" 1 1839 1 68 HIS HB3 1 68 HIS HD2 . . 3.590 2.649 2.558 2.803 . 0 0 "[ . 1 . 2]" 1 1840 1 68 HIS HB3 1 69 THR H . . 4.520 4.241 3.984 4.507 . 0 0 "[ . 1 . 2]" 1 1841 1 68 HIS HB3 1 71 THR MG . . 4.610 4.703 4.430 4.746 0.136 8 0 "[ . 1 . 2]" 1 1842 1 68 HIS HD2 1 69 THR H . . 5.060 4.401 3.966 5.071 0.011 13 0 "[ . 1 . 2]" 1 1843 1 68 HIS HD2 1 69 THR HB . . 5.410 5.438 5.194 5.490 0.080 13 0 "[ . 1 . 2]" 1 1844 1 68 HIS HE1 1 87 MET ME . . 4.750 2.176 1.989 2.715 . 0 0 "[ . 1 . 2]" 1 1845 1 68 HIS HE1 1 87 MET QG . . 4.180 3.145 2.235 3.900 . 0 0 "[ . 1 . 2]" 1 1846 1 69 THR H 1 69 THR HB . . 3.570 2.255 2.138 2.792 . 0 0 "[ . 1 . 2]" 1 1847 1 69 THR H 1 69 THR MG . . 3.870 3.691 3.446 3.942 0.072 13 0 "[ . 1 . 2]" 1 1848 1 69 THR H 1 70 VAL H . . 3.220 2.279 1.762 2.542 . 0 0 "[ . 1 . 2]" 1 1849 1 69 THR H 1 70 VAL HB . . 5.500 4.556 4.233 5.581 0.081 11 0 "[ . 1 . 2]" 1 1850 1 69 THR H 1 70 VAL QG . . 5.490 3.886 3.506 4.069 . 0 0 "[ . 1 . 2]" 1 1851 1 69 THR H 1 71 THR H . . 3.890 3.930 3.400 3.977 0.087 17 0 "[ . 1 . 2]" 1 1852 1 69 THR H 1 79 PHE QD . . 4.990 4.994 4.863 5.079 0.089 17 0 "[ . 1 . 2]" 1 1853 1 69 THR HA 1 69 THR MG . . 3.310 2.639 2.486 2.935 . 0 0 "[ . 1 . 2]" 1 1854 1 69 THR HA 1 70 VAL QG . . 4.410 4.193 4.040 4.375 . 0 0 "[ . 1 . 2]" 1 1855 1 69 THR HA 1 79 PHE QD . . 3.640 2.493 2.120 2.812 . 0 0 "[ . 1 . 2]" 1 1856 1 69 THR HB 1 70 VAL H . . 3.640 3.265 2.753 3.705 0.065 20 0 "[ . 1 . 2]" 1 1857 1 69 THR HB 1 70 VAL QG . . 4.630 3.053 2.525 3.762 . 0 0 "[ . 1 . 2]" 1 1858 1 69 THR MG 1 70 VAL H . . 4.110 3.896 3.585 4.169 0.059 5 0 "[ . 1 . 2]" 1 1859 1 69 THR MG 1 70 VAL HA . . 4.840 4.160 3.768 4.505 . 0 0 "[ . 1 . 2]" 1 1860 1 69 THR MG 1 70 VAL HB . . 5.500 4.599 4.193 5.110 . 0 0 "[ . 1 . 2]" 1 1861 1 69 THR MG 1 70 VAL QG . . 3.340 2.434 2.036 2.962 . 0 0 "[ . 1 . 2]" 1 1862 1 69 THR MG 1 79 PHE H . . 5.500 4.419 3.917 5.050 . 0 0 "[ . 1 . 2]" 1 1863 1 69 THR MG 1 79 PHE HB2 . . 5.500 3.357 2.779 3.937 . 0 0 "[ . 1 . 2]" 1 1864 1 69 THR MG 1 79 PHE HB3 . . 4.840 4.488 3.685 4.948 0.108 14 0 "[ . 1 . 2]" 1 1865 1 69 THR MG 1 79 PHE QD . . 4.010 3.700 3.129 4.069 0.059 3 0 "[ . 1 . 2]" 1 1866 1 70 VAL H 1 70 VAL HB . . 3.250 2.742 2.566 3.350 0.100 11 0 "[ . 1 . 2]" 1 1867 1 70 VAL H 1 70 VAL QG . . 3.180 2.834 2.186 3.002 . 0 0 "[ . 1 . 2]" 1 1868 1 70 VAL H 1 71 THR H . . 3.330 2.145 1.926 2.290 . 0 0 "[ . 1 . 2]" 1 1869 1 70 VAL H 1 71 THR HB . . 5.190 3.791 3.451 4.024 . 0 0 "[ . 1 . 2]" 1 1870 1 70 VAL HA 1 70 VAL QG . . 3.050 2.124 2.070 2.195 . 0 0 "[ . 1 . 2]" 1 1871 1 70 VAL HA 1 72 THR H . . 5.140 4.076 3.731 4.383 . 0 0 "[ . 1 . 2]" 1 1872 1 70 VAL HA 1 73 THR H . . 4.670 3.069 2.565 3.302 . 0 0 "[ . 1 . 2]" 1 1873 1 70 VAL HA 1 73 THR HB . . 3.990 2.296 1.938 2.774 . 0 0 "[ . 1 . 2]" 1 1874 1 70 VAL HA 1 73 THR MG . . 5.060 2.221 1.919 2.396 . 0 0 "[ . 1 . 2]" 1 1875 1 70 VAL HA 1 74 THR H . . 5.330 4.517 4.202 5.110 . 0 0 "[ . 1 . 2]" 1 1876 1 70 VAL HB 1 71 THR H . . 3.470 2.524 2.264 3.277 . 0 0 "[ . 1 . 2]" 1 1877 1 70 VAL HB 1 71 THR HA . . 5.050 4.475 4.167 4.932 . 0 0 "[ . 1 . 2]" 1 1878 1 70 VAL HB 1 71 THR HB . . 5.170 4.065 3.565 4.918 . 0 0 "[ . 1 . 2]" 1 1879 1 70 VAL HB 1 72 THR H . . 5.500 4.845 4.610 5.143 . 0 0 "[ . 1 . 2]" 1 1880 1 70 VAL QG 1 71 THR H . . 4.090 2.995 1.737 3.389 . 0 0 "[ . 1 . 2]" 1 1881 1 70 VAL QG 1 71 THR HA . . 4.210 3.507 2.977 4.042 . 0 0 "[ . 1 . 2]" 1 1882 1 70 VAL QG 1 72 THR H . . 4.960 4.417 4.016 4.584 . 0 0 "[ . 1 . 2]" 1 1883 1 70 VAL QG 1 73 THR H . . 5.500 4.130 3.782 4.285 . 0 0 "[ . 1 . 2]" 1 1884 1 70 VAL QG 1 73 THR HB . . 5.500 3.612 3.038 3.967 . 0 0 "[ . 1 . 2]" 1 1885 1 70 VAL QG 1 73 THR MG . . 3.350 2.733 2.179 3.038 . 0 0 "[ . 1 . 2]" 1 1886 1 70 VAL QG 1 74 THR H . . 5.500 4.792 4.432 5.316 . 0 0 "[ . 1 . 2]" 1 1887 1 71 THR H 1 71 THR HB . . 3.060 1.943 1.815 2.044 . 0 0 "[ . 1 . 2]" 1 1888 1 71 THR H 1 71 THR MG . . 3.760 3.181 2.668 3.558 . 0 0 "[ . 1 . 2]" 1 1889 1 71 THR H 1 73 THR HB . . 5.500 4.944 4.464 5.415 . 0 0 "[ . 1 . 2]" 1 1890 1 71 THR HA 1 73 THR H . . 5.300 4.307 4.130 4.621 . 0 0 "[ . 1 . 2]" 1 1891 1 71 THR MG 1 72 THR H . . 4.310 2.974 2.627 3.287 . 0 0 "[ . 1 . 2]" 1 1892 1 71 THR MG 1 72 THR HB . . 5.420 4.228 3.915 4.562 . 0 0 "[ . 1 . 2]" 1 1893 1 72 THR H 1 72 THR HA . . 2.920 2.966 2.920 2.998 0.078 9 0 "[ . 1 . 2]" 1 1894 1 72 THR H 1 72 THR HB . . 3.770 2.592 2.461 2.787 . 0 0 "[ . 1 . 2]" 1 1895 1 72 THR H 1 72 THR MG . . 3.800 3.822 3.741 3.873 0.073 17 0 "[ . 1 . 2]" 1 1896 1 72 THR H 1 73 THR H . . 3.400 2.127 2.018 2.254 . 0 0 "[ . 1 . 2]" 1 1897 1 72 THR H 1 73 THR HA . . 4.570 4.651 4.617 4.664 0.094 2 0 "[ . 1 . 2]" 1 1898 1 72 THR HA 1 72 THR MG . . 3.600 2.368 2.235 2.500 . 0 0 "[ . 1 . 2]" 1 1899 1 72 THR HA 1 73 THR H . . 3.410 3.484 3.463 3.493 0.083 14 0 "[ . 1 . 2]" 1 1900 1 72 THR HA 1 74 THR MG . . 3.390 3.050 2.354 3.479 0.089 9 0 "[ . 1 . 2]" 1 1901 1 72 THR HA 1 75 LYS HB3 . . 4.620 4.556 4.238 4.719 0.099 17 0 "[ . 1 . 2]" 1 1902 1 72 THR HA 1 75 LYS QD . . 4.250 4.203 3.919 4.336 0.086 9 0 "[ . 1 . 2]" 1 1903 1 72 THR HA 1 75 LYS QE . . 5.500 5.123 1.892 5.600 0.100 5 0 "[ . 1 . 2]" 1 1904 1 72 THR HA 1 75 LYS HG2 . . 5.480 3.064 2.778 4.146 . 0 0 "[ . 1 . 2]" 1 1905 1 72 THR HA 1 77 GLU QG . . 5.040 4.860 4.658 5.141 0.101 13 0 "[ . 1 . 2]" 1 1906 1 72 THR HB 1 73 THR H . . 4.270 3.262 3.053 3.522 . 0 0 "[ . 1 . 2]" 1 1907 1 72 THR HB 1 73 THR HA . . 4.340 4.267 3.932 4.400 0.060 5 0 "[ . 1 . 2]" 1 1908 1 72 THR HB 1 77 GLU QB . . 3.950 2.710 2.314 3.239 . 0 0 "[ . 1 . 2]" 1 1909 1 72 THR HB 1 77 GLU QG . . 4.810 2.593 2.200 3.814 . 0 0 "[ . 1 . 2]" 1 1910 1 72 THR HB 1 79 PHE QE . . 4.440 3.820 3.266 4.418 . 0 0 "[ . 1 . 2]" 1 1911 1 72 THR MG 1 73 THR H . . 4.600 4.197 3.927 4.335 . 0 0 "[ . 1 . 2]" 1 1912 1 72 THR MG 1 73 THR HA . . 4.710 4.253 3.995 4.370 . 0 0 "[ . 1 . 2]" 1 1913 1 72 THR MG 1 74 THR H . . 5.430 4.834 4.316 5.123 . 0 0 "[ . 1 . 2]" 1 1914 1 72 THR MG 1 75 LYS HB2 . . 4.740 4.706 4.517 4.874 0.134 17 0 "[ . 1 . 2]" 1 1915 1 72 THR MG 1 75 LYS QE . . 5.380 3.188 1.699 3.740 . 0 0 "[ . 1 . 2]" 1 1916 1 72 THR MG 1 75 LYS HG2 . . 4.230 2.424 2.210 2.918 . 0 0 "[ . 1 . 2]" 1 1917 1 72 THR MG 1 75 LYS HG3 . . 5.120 2.939 2.629 3.718 . 0 0 "[ . 1 . 2]" 1 1918 1 72 THR MG 1 77 GLU H . . 5.320 3.855 3.493 4.075 . 0 0 "[ . 1 . 2]" 1 1919 1 72 THR MG 1 77 GLU QB . . 3.790 2.099 1.996 2.287 . 0 0 "[ . 1 . 2]" 1 1920 1 72 THR MG 1 79 PHE QD . . 5.470 5.376 4.779 5.579 0.109 4 0 "[ . 1 . 2]" 1 1921 1 72 THR MG 1 79 PHE QE . . 4.180 3.988 3.397 4.293 0.113 18 0 "[ . 1 . 2]" 1 1922 1 73 THR H 1 73 THR HB . . 3.090 2.084 1.817 2.323 . 0 0 "[ . 1 . 2]" 1 1923 1 73 THR H 1 73 THR MG . . 3.750 2.890 2.613 3.391 . 0 0 "[ . 1 . 2]" 1 1924 1 73 THR H 1 74 THR H . . 3.080 2.605 2.409 2.899 . 0 0 "[ . 1 . 2]" 1 1925 1 73 THR H 1 77 GLU H . . 4.650 4.525 4.166 4.705 0.055 7 0 "[ . 1 . 2]" 1 1926 1 73 THR H 1 77 GLU QB . . 5.500 3.305 3.123 3.437 . 0 0 "[ . 1 . 2]" 1 1927 1 73 THR HA 1 73 THR MG . . 3.510 3.144 3.005 3.238 . 0 0 "[ . 1 . 2]" 1 1928 1 73 THR HA 1 74 THR H . . 3.390 3.344 3.088 3.423 0.033 16 0 "[ . 1 . 2]" 1 1929 1 73 THR HA 1 76 GLY HA2 . . 4.620 4.092 3.479 4.494 . 0 0 "[ . 1 . 2]" 1 1930 1 73 THR HA 1 77 GLU H . . 4.190 2.143 1.798 2.396 . 0 0 "[ . 1 . 2]" 1 1931 1 73 THR HA 1 77 GLU QB . . 4.760 2.136 1.928 2.392 . 0 0 "[ . 1 . 2]" 1 1932 1 73 THR HB 1 74 THR H . . 3.660 3.736 3.708 3.755 0.095 9 0 "[ . 1 . 2]" 1 1933 1 73 THR HB 1 77 GLU QG . . 5.340 5.037 4.522 5.437 0.097 17 0 "[ . 1 . 2]" 1 1934 1 73 THR HB 1 79 PHE QD . . 5.380 5.229 4.850 5.481 0.101 10 0 "[ . 1 . 2]" 1 1935 1 73 THR MG 1 77 GLU H . . 5.460 4.609 4.277 4.844 . 0 0 "[ . 1 . 2]" 1 1936 1 73 THR MG 1 77 GLU QB . . 4.340 4.473 4.422 4.491 0.151 6 0 "[ . 1 . 2]" 1 1937 1 74 THR H 1 74 THR HA . . 2.910 2.789 2.714 2.908 . 0 0 "[ . 1 . 2]" 1 1938 1 74 THR H 1 74 THR HB . . 3.190 1.980 1.763 2.562 . 0 0 "[ . 1 . 2]" 1 1939 1 74 THR H 1 74 THR MG . . 3.620 2.843 2.052 3.377 . 0 0 "[ . 1 . 2]" 1 1940 1 74 THR H 1 75 LYS HB3 . . 5.500 5.436 4.628 5.575 0.075 3 0 "[ . 1 . 2]" 1 1941 1 74 THR H 1 75 LYS HG3 . . 5.500 5.097 4.835 5.593 0.093 17 0 "[ . 1 . 2]" 1 1942 1 74 THR H 1 77 GLU QB . . 5.500 4.382 4.010 4.516 . 0 0 "[ . 1 . 2]" 1 1943 1 74 THR HA 1 77 GLU H . . 5.310 5.330 5.021 5.392 0.082 18 0 "[ . 1 . 2]" 1 1944 1 74 THR HB 1 76 GLY H . . 4.910 4.995 4.962 5.010 0.100 19 0 "[ . 1 . 2]" 1 1945 1 74 THR MG 1 75 LYS H . . 4.420 2.275 1.823 2.495 . 0 0 "[ . 1 . 2]" 1 1946 1 74 THR MG 1 75 LYS HB2 . . 5.500 4.375 4.163 4.579 . 0 0 "[ . 1 . 2]" 1 1947 1 74 THR MG 1 75 LYS HB3 . . 5.260 3.005 2.683 3.279 . 0 0 "[ . 1 . 2]" 1 1948 1 74 THR MG 1 75 LYS QD . . 4.800 4.638 3.928 4.908 0.108 12 0 "[ . 1 . 2]" 1 1949 1 74 THR MG 1 75 LYS QE . . 5.500 5.091 2.041 5.606 0.106 6 0 "[ . 1 . 2]" 1 1950 1 74 THR MG 1 75 LYS HG2 . . 3.730 3.429 3.123 3.811 0.081 17 0 "[ . 1 . 2]" 1 1951 1 74 THR MG 1 76 GLY H . . 5.340 4.155 3.654 4.367 . 0 0 "[ . 1 . 2]" 1 1952 1 74 THR MG 1 77 GLU H . . 5.480 5.053 4.448 5.250 . 0 0 "[ . 1 . 2]" 1 1953 1 74 THR MG 1 77 GLU QB . . 4.980 4.987 4.475 5.111 0.131 8 0 "[ . 1 . 2]" 1 1954 1 75 LYS H 1 75 LYS HB2 . . 3.820 3.640 3.490 3.720 . 0 0 "[ . 1 . 2]" 1 1955 1 75 LYS H 1 75 LYS HB3 . . 3.380 2.686 2.212 2.858 . 0 0 "[ . 1 . 2]" 1 1956 1 75 LYS H 1 75 LYS QD . . 5.050 4.098 3.848 4.260 . 0 0 "[ . 1 . 2]" 1 1957 1 75 LYS H 1 75 LYS HG2 . . 4.150 2.478 2.237 2.626 . 0 0 "[ . 1 . 2]" 1 1958 1 75 LYS H 1 75 LYS HG3 . . 4.790 2.708 2.374 3.877 . 0 0 "[ . 1 . 2]" 1 1959 1 75 LYS H 1 76 GLY H . . 3.270 2.481 2.293 2.573 . 0 0 "[ . 1 . 2]" 1 1960 1 75 LYS H 1 76 GLY HA2 . . 5.300 4.830 4.633 4.909 . 0 0 "[ . 1 . 2]" 1 1961 1 75 LYS H 1 76 GLY HA3 . . 5.100 5.134 4.984 5.170 0.070 13 0 "[ . 1 . 2]" 1 1962 1 75 LYS H 1 77 GLU QB . . 5.300 3.875 3.612 4.635 . 0 0 "[ . 1 . 2]" 1 1963 1 75 LYS HA 1 75 LYS QD . . 4.910 4.455 4.248 4.537 . 0 0 "[ . 1 . 2]" 1 1964 1 75 LYS HA 1 75 LYS HG2 . . 4.150 3.955 3.731 4.025 . 0 0 "[ . 1 . 2]" 1 1965 1 75 LYS HA 1 75 LYS HG3 . . 3.860 3.676 3.585 3.856 . 0 0 "[ . 1 . 2]" 1 1966 1 75 LYS HA 1 76 GLY H . . 3.400 3.241 3.135 3.466 0.066 4 0 "[ . 1 . 2]" 1 1967 1 75 LYS HA 1 76 GLY HA2 . . 4.890 4.919 4.817 4.973 0.083 19 0 "[ . 1 . 2]" 1 1968 1 75 LYS HA 1 77 GLU H . . 5.500 4.830 4.631 5.312 . 0 0 "[ . 1 . 2]" 1 1969 1 75 LYS HB2 1 75 LYS QD . . 3.320 2.437 2.155 2.567 . 0 0 "[ . 1 . 2]" 1 1970 1 75 LYS HB2 1 76 GLY H . . 4.560 4.369 4.058 4.466 . 0 0 "[ . 1 . 2]" 1 1971 1 75 LYS HB2 1 77 GLU H . . 5.150 4.940 4.690 5.219 0.069 17 0 "[ . 1 . 2]" 1 1972 1 75 LYS HB3 1 75 LYS QD . . 2.870 2.802 2.478 2.939 0.069 8 0 "[ . 1 . 2]" 1 1973 1 75 LYS HB3 1 76 GLY H . . 4.540 4.351 3.850 4.479 . 0 0 "[ . 1 . 2]" 1 1974 1 75 LYS HB3 1 77 GLU H . . 5.010 5.074 4.914 5.099 0.089 19 0 "[ . 1 . 2]" 1 1975 1 75 LYS QD 1 76 GLY H . . 5.060 5.091 4.356 5.166 0.106 10 0 "[ . 1 . 2]" 1 1976 1 75 LYS QD 1 77 GLU QG . . 4.870 4.270 3.073 4.975 0.105 11 0 "[ . 1 . 2]" 1 1977 1 75 LYS QE 1 76 GLY HA2 . . 5.500 5.201 4.756 5.611 0.111 4 0 "[ . 1 . 2]" 1 1978 1 75 LYS QE 1 76 GLY HA3 . . 5.500 4.369 3.823 5.624 0.124 17 0 "[ . 1 . 2]" 1 1979 1 75 LYS QE 1 77 GLU QG . . 5.340 4.210 2.909 4.817 . 0 0 "[ . 1 . 2]" 1 1980 1 75 LYS HG2 1 76 GLY H . . 5.450 4.068 2.194 4.422 . 0 0 "[ . 1 . 2]" 1 1981 1 75 LYS HG2 1 77 GLU QG . . 5.500 4.904 4.245 5.199 . 0 0 "[ . 1 . 2]" 1 1982 1 75 LYS HG3 1 76 GLY H . . 4.540 3.210 3.114 3.764 . 0 0 "[ . 1 . 2]" 1 1983 1 75 LYS HG3 1 76 GLY HA3 . . 5.500 4.416 3.947 4.688 . 0 0 "[ . 1 . 2]" 1 1984 1 75 LYS HG3 1 77 GLU QB . . 4.750 2.593 2.179 3.806 . 0 0 "[ . 1 . 2]" 1 1985 1 76 GLY H 1 77 GLU H . . 3.350 2.210 2.026 2.339 . 0 0 "[ . 1 . 2]" 1 1986 1 76 GLY H 1 77 GLU HA . . 5.500 4.889 4.701 4.987 . 0 0 "[ . 1 . 2]" 1 1987 1 76 GLY H 1 78 ASN HD21 . . 5.500 5.393 4.771 5.593 0.093 18 0 "[ . 1 . 2]" 1 1988 1 76 GLY HA2 1 77 GLU HA . . 4.700 4.723 4.561 4.776 0.076 1 0 "[ . 1 . 2]" 1 1989 1 76 GLY HA2 1 78 ASN HD21 . . 4.330 3.594 2.850 4.378 0.048 6 0 "[ . 1 . 2]" 1 1990 1 76 GLY HA3 1 77 GLU HA . . 4.530 4.564 4.422 4.612 0.082 19 0 "[ . 1 . 2]" 1 1991 1 76 GLY HA3 1 77 GLU QB . . 5.270 4.985 4.876 5.156 . 0 0 "[ . 1 . 2]" 1 1992 1 77 GLU H 1 77 GLU QB . . 3.090 2.122 2.018 2.257 . 0 0 "[ . 1 . 2]" 1 1993 1 77 GLU H 1 78 ASN H . . 4.230 4.200 3.836 4.324 0.094 10 0 "[ . 1 . 2]" 1 1994 1 77 GLU H 1 78 ASN HD21 . . 5.060 4.841 4.185 5.135 0.075 14 0 "[ . 1 . 2]" 1 1995 1 77 GLU HA 1 77 GLU QG . . 3.470 2.673 2.181 2.981 . 0 0 "[ . 1 . 2]" 1 1996 1 77 GLU HA 1 78 ASN H . . 2.770 2.172 1.995 2.308 . 0 0 "[ . 1 . 2]" 1 1997 1 77 GLU HA 1 78 ASN HA . . 4.490 4.439 4.346 4.503 0.013 15 0 "[ . 1 . 2]" 1 1998 1 77 GLU HA 1 78 ASN HB2 . . 5.500 4.780 4.239 5.595 0.095 11 0 "[ . 1 . 2]" 1 1999 1 77 GLU HA 1 78 ASN HB3 . . 5.500 5.342 4.462 5.591 0.091 2 0 "[ . 1 . 2]" 1 2000 1 77 GLU HA 1 78 ASN HD21 . . 5.500 4.896 3.336 5.537 0.037 9 0 "[ . 1 . 2]" 1 2001 1 77 GLU HA 1 79 PHE H . . 5.190 4.858 4.393 5.256 0.066 9 0 "[ . 1 . 2]" 1 2002 1 77 GLU QB 1 78 ASN HA . . 4.550 4.609 4.548 4.641 0.091 5 0 "[ . 1 . 2]" 1 2003 1 77 GLU QB 1 79 PHE H . . 5.260 4.664 4.115 5.016 . 0 0 "[ . 1 . 2]" 1 2004 1 77 GLU QB 1 79 PHE QD . . 4.210 4.026 3.223 4.315 0.105 6 0 "[ . 1 . 2]" 1 2005 1 77 GLU QB 1 79 PHE QE . . 4.290 3.840 3.362 4.340 0.050 13 0 "[ . 1 . 2]" 1 2006 1 77 GLU QG 1 78 ASN H . . 4.020 3.647 2.518 4.097 0.077 17 0 "[ . 1 . 2]" 1 2007 1 77 GLU QG 1 79 PHE H . . 5.500 3.887 3.175 4.564 . 0 0 "[ . 1 . 2]" 1 2008 1 77 GLU QG 1 79 PHE QD . . 4.840 3.001 2.438 3.807 . 0 0 "[ . 1 . 2]" 1 2009 1 77 GLU QG 1 79 PHE QE . . 4.130 2.282 2.073 3.380 . 0 0 "[ . 1 . 2]" 1 2010 1 77 GLU QG 1 79 PHE HZ . . 5.400 3.536 2.822 4.252 . 0 0 "[ . 1 . 2]" 1 2011 1 78 ASN H 1 78 ASN HB2 . . 3.380 2.814 2.107 3.752 0.372 18 0 "[ . 1 . 2]" 1 2012 1 78 ASN H 1 78 ASN HB3 . . 4.010 3.409 3.041 3.773 . 0 0 "[ . 1 . 2]" 1 2013 1 78 ASN H 1 78 ASN HD21 . . 5.140 3.696 2.281 4.361 . 0 0 "[ . 1 . 2]" 1 2014 1 78 ASN H 1 79 PHE H . . 4.180 3.755 3.539 4.247 0.067 5 0 "[ . 1 . 2]" 1 2015 1 78 ASN H 1 79 PHE HA . . 5.500 4.873 4.400 5.286 . 0 0 "[ . 1 . 2]" 1 2016 1 78 ASN H 1 79 PHE QD . . 5.210 5.157 4.514 5.306 0.096 12 0 "[ . 1 . 2]" 1 2017 1 78 ASN HA 1 78 ASN HD21 . . 4.730 3.367 1.885 4.287 . 0 0 "[ . 1 . 2]" 1 2018 1 78 ASN HA 1 78 ASN HD22 . . 5.500 4.205 3.243 5.225 . 0 0 "[ . 1 . 2]" 1 2019 1 78 ASN HA 1 79 PHE H . . 2.840 2.213 2.057 2.384 . 0 0 "[ . 1 . 2]" 1 2020 1 78 ASN HA 1 79 PHE HA . . 4.800 4.531 4.465 4.623 . 0 0 "[ . 1 . 2]" 1 2021 1 78 ASN HA 1 79 PHE HB2 . . 5.470 4.352 4.223 4.594 . 0 0 "[ . 1 . 2]" 1 2022 1 78 ASN HA 1 79 PHE QD . . 4.950 4.529 4.084 5.018 0.068 2 0 "[ . 1 . 2]" 1 2023 1 78 ASN HB2 1 79 PHE H . . 4.780 4.444 3.987 4.681 . 0 0 "[ . 1 . 2]" 1 2024 1 78 ASN HB3 1 79 PHE H . . 4.160 4.225 4.004 4.548 0.388 18 0 "[ . 1 . 2]" 1 2025 1 79 PHE H 1 79 PHE HB2 . . 3.360 2.290 2.159 2.387 . 0 0 "[ . 1 . 2]" 1 2026 1 79 PHE H 1 79 PHE HB3 . . 3.950 3.533 3.458 3.621 . 0 0 "[ . 1 . 2]" 1 2027 1 79 PHE H 1 79 PHE QD . . 3.840 2.826 2.520 3.103 . 0 0 "[ . 1 . 2]" 1 2028 1 79 PHE H 1 80 THR H . . 4.960 4.456 4.346 4.594 . 0 0 "[ . 1 . 2]" 1 2029 1 79 PHE H 1 84 VAL QG . . 5.500 4.703 4.323 5.097 . 0 0 "[ . 1 . 2]" 1 2030 1 79 PHE HA 1 79 PHE QD . . 3.200 2.583 2.264 2.888 . 0 0 "[ . 1 . 2]" 1 2031 1 79 PHE HA 1 80 THR H . . 3.230 2.166 2.103 2.233 . 0 0 "[ . 1 . 2]" 1 2032 1 79 PHE HA 1 80 THR HA . . 5.470 4.496 4.434 4.586 . 0 0 "[ . 1 . 2]" 1 2033 1 79 PHE HA 1 80 THR MG . . 4.340 3.848 3.518 4.157 . 0 0 "[ . 1 . 2]" 1 2034 1 79 PHE HA 1 83 ASP H . . 5.500 5.176 4.879 5.552 0.052 2 0 "[ . 1 . 2]" 1 2035 1 79 PHE HA 1 83 ASP HB2 . . 5.210 3.130 2.678 3.628 . 0 0 "[ . 1 . 2]" 1 2036 1 79 PHE HA 1 83 ASP HB3 . . 4.920 3.834 3.181 4.456 . 0 0 "[ . 1 . 2]" 1 2037 1 79 PHE HA 1 84 VAL QG . . 5.500 4.342 4.012 4.694 . 0 0 "[ . 1 . 2]" 1 2038 1 79 PHE HB2 1 80 THR H . . 4.760 4.487 4.359 4.574 . 0 0 "[ . 1 . 2]" 1 2039 1 79 PHE HB2 1 83 ASP HB3 . . 5.500 4.857 4.360 5.307 . 0 0 "[ . 1 . 2]" 1 2040 1 79 PHE HB2 1 84 VAL QG . . 4.590 3.024 2.709 3.470 . 0 0 "[ . 1 . 2]" 1 2041 1 79 PHE HB3 1 80 THR H . . 4.550 3.659 3.387 3.795 . 0 0 "[ . 1 . 2]" 1 2042 1 79 PHE HB3 1 80 THR MG . . 5.500 5.412 5.164 5.593 0.093 7 0 "[ . 1 . 2]" 1 2043 1 79 PHE HB3 1 83 ASP H . . 5.500 4.778 4.521 5.196 . 0 0 "[ . 1 . 2]" 1 2044 1 79 PHE HB3 1 83 ASP HB3 . . 4.700 3.199 2.623 3.670 . 0 0 "[ . 1 . 2]" 1 2045 1 79 PHE HB3 1 84 VAL H . . 5.250 3.563 3.253 4.059 . 0 0 "[ . 1 . 2]" 1 2046 1 79 PHE HB3 1 84 VAL QG . . 4.020 2.396 2.213 2.556 . 0 0 "[ . 1 . 2]" 1 2047 1 79 PHE HB3 1 87 MET ME . . 5.500 3.018 2.624 3.691 . 0 0 "[ . 1 . 2]" 1 2048 1 79 PHE HB3 1 87 MET QG . . 5.130 4.284 3.620 4.705 . 0 0 "[ . 1 . 2]" 1 2049 1 79 PHE QD 1 80 THR H . . 4.110 3.923 3.454 4.190 0.080 7 0 "[ . 1 . 2]" 1 2050 1 79 PHE QD 1 83 ASP H . . 5.500 5.048 4.729 5.343 . 0 0 "[ . 1 . 2]" 1 2051 1 79 PHE QD 1 83 ASP HB2 . . 5.050 2.714 2.394 3.234 . 0 0 "[ . 1 . 2]" 1 2052 1 79 PHE QD 1 83 ASP HB3 . . 3.740 2.062 1.970 2.236 . 0 0 "[ . 1 . 2]" 1 2053 1 79 PHE QD 1 84 VAL HA . . 4.810 4.909 4.877 4.926 0.116 16 0 "[ . 1 . 2]" 1 2054 1 79 PHE QD 1 84 VAL QG . . 4.100 4.006 3.842 4.126 0.026 5 0 "[ . 1 . 2]" 1 2055 1 79 PHE QD 1 87 MET ME . . 3.760 3.320 2.887 3.870 0.110 2 0 "[ . 1 . 2]" 1 2056 1 79 PHE QE 1 87 MET ME . . 4.570 4.051 3.404 4.649 0.079 10 0 "[ . 1 . 2]" 1 2057 1 80 THR H 1 80 THR MG . . 3.440 2.349 2.079 2.644 . 0 0 "[ . 1 . 2]" 1 2058 1 80 THR H 1 82 THR H . . 5.420 5.120 4.902 5.379 . 0 0 "[ . 1 . 2]" 1 2059 1 80 THR H 1 83 ASP H . . 4.400 3.866 3.541 4.344 . 0 0 "[ . 1 . 2]" 1 2060 1 80 THR H 1 83 ASP HB2 . . 3.720 2.773 2.443 3.006 . 0 0 "[ . 1 . 2]" 1 2061 1 80 THR H 1 83 ASP HB3 . . 4.230 4.188 3.803 4.311 0.081 11 0 "[ . 1 . 2]" 1 2062 1 80 THR H 1 84 VAL H . . 5.300 4.496 4.125 4.873 . 0 0 "[ . 1 . 2]" 1 2063 1 80 THR H 1 84 VAL QG . . 5.500 4.357 4.020 4.700 . 0 0 "[ . 1 . 2]" 1 2064 1 80 THR HA 1 80 THR MG . . 3.300 2.356 2.181 2.537 . 0 0 "[ . 1 . 2]" 1 2065 1 80 THR HA 1 81 GLU H . . 3.260 2.598 2.430 2.778 . 0 0 "[ . 1 . 2]" 1 2066 1 80 THR HA 1 81 GLU HA . . 4.790 4.319 4.144 4.467 . 0 0 "[ . 1 . 2]" 1 2067 1 80 THR HA 1 81 GLU HG2 . . 5.460 5.208 4.886 5.540 0.080 7 0 "[ . 1 . 2]" 1 2068 1 80 THR HA 1 82 THR H . . 4.720 4.506 4.157 4.792 0.072 3 0 "[ . 1 . 2]" 1 2069 1 80 THR HB 1 81 GLU H . . 3.150 2.574 2.374 2.917 . 0 0 "[ . 1 . 2]" 1 2070 1 80 THR HB 1 81 GLU HA . . 5.500 4.878 4.697 5.041 . 0 0 "[ . 1 . 2]" 1 2071 1 80 THR HB 1 81 GLU HB3 . . 5.140 4.973 4.688 5.210 0.070 2 0 "[ . 1 . 2]" 1 2072 1 80 THR MG 1 81 GLU H . . 4.290 3.813 3.518 4.079 . 0 0 "[ . 1 . 2]" 1 2073 1 80 THR MG 1 81 GLU HG2 . . 5.500 5.377 5.054 5.592 0.092 8 0 "[ . 1 . 2]" 1 2074 1 80 THR MG 1 82 THR H . . 5.100 4.515 4.134 4.907 . 0 0 "[ . 1 . 2]" 1 2075 1 80 THR MG 1 82 THR HB . . 5.450 4.893 4.291 5.532 0.082 6 0 "[ . 1 . 2]" 1 2076 1 80 THR MG 1 83 ASP H . . 5.090 4.725 4.318 5.043 . 0 0 "[ . 1 . 2]" 1 2077 1 81 GLU H 1 81 GLU HB2 . . 3.660 3.678 3.619 3.723 0.063 18 0 "[ . 1 . 2]" 1 2078 1 81 GLU H 1 81 GLU HB3 . . 3.560 2.499 2.395 2.621 . 0 0 "[ . 1 . 2]" 1 2079 1 81 GLU H 1 81 GLU HG2 . . 4.270 2.709 2.456 3.090 . 0 0 "[ . 1 . 2]" 1 2080 1 81 GLU H 1 81 GLU HG3 . . 4.180 3.902 3.665 4.153 . 0 0 "[ . 1 . 2]" 1 2081 1 81 GLU H 1 82 THR H . . 3.600 2.791 2.584 2.974 . 0 0 "[ . 1 . 2]" 1 2082 1 81 GLU H 1 82 THR HB . . 5.500 5.296 5.067 5.534 0.034 5 0 "[ . 1 . 2]" 1 2083 1 81 GLU H 1 83 ASP H . . 5.250 4.143 4.002 4.330 . 0 0 "[ . 1 . 2]" 1 2084 1 81 GLU H 1 84 VAL QG . . 5.500 3.956 3.685 4.500 . 0 0 "[ . 1 . 2]" 1 2085 1 81 GLU HA 1 81 GLU HG3 . . 4.060 3.720 3.521 3.825 . 0 0 "[ . 1 . 2]" 1 2086 1 81 GLU HA 1 82 THR HA . . 5.500 4.748 4.628 4.837 . 0 0 "[ . 1 . 2]" 1 2087 1 81 GLU HA 1 83 ASP H . . 5.260 3.677 3.545 3.842 . 0 0 "[ . 1 . 2]" 1 2088 1 81 GLU HA 1 84 VAL H . . 3.930 3.033 2.776 3.311 . 0 0 "[ . 1 . 2]" 1 2089 1 81 GLU HA 1 84 VAL QG . . 3.380 2.091 1.876 2.691 . 0 0 "[ . 1 . 2]" 1 2090 1 81 GLU HA 1 85 LYS H . . 5.350 3.652 3.462 3.840 . 0 0 "[ . 1 . 2]" 1 2091 1 81 GLU HB2 1 82 THR H . . 4.440 3.983 3.895 4.097 . 0 0 "[ . 1 . 2]" 1 2092 1 81 GLU HB2 1 83 ASP H . . 5.130 5.152 5.075 5.201 0.071 8 0 "[ . 1 . 2]" 1 2093 1 81 GLU HB2 1 84 VAL H . . 5.180 4.944 4.694 5.186 0.006 7 0 "[ . 1 . 2]" 1 2094 1 81 GLU HB2 1 84 VAL QG . . 4.660 2.903 2.659 3.387 . 0 0 "[ . 1 . 2]" 1 2095 1 81 GLU HB2 1 85 LYS QB . . 4.540 4.631 4.619 4.645 0.105 2 0 "[ . 1 . 2]" 1 2096 1 81 GLU HB2 1 85 LYS HG2 . . 5.060 4.152 3.135 4.568 . 0 0 "[ . 1 . 2]" 1 2097 1 81 GLU HB2 1 85 LYS HG3 . . 5.500 3.080 2.775 4.886 . 0 0 "[ . 1 . 2]" 1 2098 1 81 GLU HB3 1 82 THR H . . 3.870 3.921 3.715 3.954 0.084 13 0 "[ . 1 . 2]" 1 2099 1 81 GLU HB3 1 84 VAL QG . . 5.220 3.633 3.301 4.044 . 0 0 "[ . 1 . 2]" 1 2100 1 81 GLU HB3 1 85 LYS QD . . 4.950 4.863 4.486 5.030 0.080 7 0 "[ . 1 . 2]" 1 2101 1 81 GLU HG2 1 82 THR H . . 4.000 2.402 2.219 2.515 . 0 0 "[ . 1 . 2]" 1 2102 1 81 GLU HG2 1 82 THR HB . . 5.500 4.771 4.440 5.133 . 0 0 "[ . 1 . 2]" 1 2103 1 81 GLU HG2 1 83 ASP H . . 4.880 4.903 4.732 4.967 0.087 18 0 "[ . 1 . 2]" 1 2104 1 81 GLU HG2 1 85 LYS QD . . 5.010 4.885 3.714 5.095 0.085 17 0 "[ . 1 . 2]" 1 2105 1 81 GLU HG2 1 85 LYS QE . . 4.300 4.145 3.748 4.399 0.099 8 0 "[ . 1 . 2]" 1 2106 1 81 GLU HG3 1 82 THR H . . 5.320 2.790 2.530 3.216 . 0 0 "[ . 1 . 2]" 1 2107 1 81 GLU HG3 1 82 THR HA . . 4.820 3.165 2.754 3.596 . 0 0 "[ . 1 . 2]" 1 2108 1 81 GLU HG3 1 82 THR MG . . 5.500 4.294 4.014 4.573 . 0 0 "[ . 1 . 2]" 1 2109 1 81 GLU HG3 1 85 LYS QD . . 5.200 3.373 2.234 3.653 . 0 0 "[ . 1 . 2]" 1 2110 1 81 GLU HG3 1 85 LYS QE . . 5.450 2.633 2.127 3.509 . 0 0 "[ . 1 . 2]" 1 2111 1 81 GLU HG3 1 85 LYS HG2 . . 5.410 4.954 2.599 5.441 0.031 2 0 "[ . 1 . 2]" 1 2112 1 81 GLU HG3 1 85 LYS HG3 . . 5.070 3.693 3.167 3.978 . 0 0 "[ . 1 . 2]" 1 2113 1 82 THR H 1 82 THR HB . . 3.200 2.743 2.533 2.925 . 0 0 "[ . 1 . 2]" 1 2114 1 82 THR H 1 82 THR MG . . 4.610 3.717 3.628 3.798 . 0 0 "[ . 1 . 2]" 1 2115 1 82 THR H 1 83 ASP H . . 3.600 2.732 2.629 2.842 . 0 0 "[ . 1 . 2]" 1 2116 1 82 THR H 1 83 ASP HA . . 5.430 5.395 5.313 5.472 0.042 13 0 "[ . 1 . 2]" 1 2117 1 82 THR H 1 83 ASP HB2 . . 5.500 4.940 4.603 5.211 . 0 0 "[ . 1 . 2]" 1 2118 1 82 THR H 1 84 VAL QG . . 5.500 4.461 4.203 4.901 . 0 0 "[ . 1 . 2]" 1 2119 1 82 THR HA 1 84 VAL H . . 5.500 4.717 4.576 4.917 . 0 0 "[ . 1 . 2]" 1 2120 1 82 THR HA 1 84 VAL QG . . 4.920 4.695 4.526 4.837 . 0 0 "[ . 1 . 2]" 1 2121 1 82 THR HA 1 85 LYS H . . 4.370 3.762 3.399 4.076 . 0 0 "[ . 1 . 2]" 1 2122 1 82 THR HA 1 85 LYS QB . . 4.330 3.156 2.511 4.438 0.108 8 0 "[ . 1 . 2]" 1 2123 1 82 THR HA 1 85 LYS QD . . 4.590 4.328 3.042 4.658 0.068 9 0 "[ . 1 . 2]" 1 2124 1 82 THR HA 1 85 LYS QE . . 4.400 2.374 1.962 2.699 . 0 0 "[ . 1 . 2]" 1 2125 1 82 THR HA 1 85 LYS HG3 . . 5.500 3.790 2.288 4.127 . 0 0 "[ . 1 . 2]" 1 2126 1 82 THR HA 1 86 MET QG . . 5.500 4.031 3.698 4.316 . 0 0 "[ . 1 . 2]" 1 2127 1 82 THR HB 1 83 ASP H . . 3.630 3.349 3.092 3.528 . 0 0 "[ . 1 . 2]" 1 2128 1 82 THR HB 1 83 ASP HB2 . . 5.500 5.221 4.801 5.584 0.084 10 0 "[ . 1 . 2]" 1 2129 1 82 THR HB 1 85 LYS QE . . 5.240 4.976 4.498 5.320 0.080 19 0 "[ . 1 . 2]" 1 2130 1 82 THR HB 1 86 MET ME . . 5.130 4.988 4.509 5.213 0.083 2 0 "[ . 1 . 2]" 1 2131 1 82 THR HB 1 86 MET QG . . 5.500 5.089 4.962 5.146 . 0 0 "[ . 1 . 2]" 1 2132 1 82 THR MG 1 83 ASP H . . 4.860 4.210 4.089 4.301 . 0 0 "[ . 1 . 2]" 1 2133 1 82 THR MG 1 83 ASP HA . . 5.500 4.409 4.268 4.586 . 0 0 "[ . 1 . 2]" 1 2134 1 82 THR MG 1 85 LYS H . . 5.500 5.281 4.996 5.497 . 0 0 "[ . 1 . 2]" 1 2135 1 82 THR MG 1 85 LYS QD . . 5.500 5.139 3.841 5.452 . 0 0 "[ . 1 . 2]" 1 2136 1 82 THR MG 1 85 LYS QE . . 4.840 3.300 2.272 3.619 . 0 0 "[ . 1 . 2]" 1 2137 1 82 THR MG 1 85 LYS HG3 . . 5.500 5.353 3.884 5.600 0.100 10 0 "[ . 1 . 2]" 1 2138 1 82 THR MG 1 86 MET H . . 5.500 5.553 5.419 5.600 0.100 12 0 "[ . 1 . 2]" 1 2139 1 82 THR MG 1 86 MET ME . . 3.420 2.825 2.370 3.143 . 0 0 "[ . 1 . 2]" 1 2140 1 82 THR MG 1 86 MET QG . . 4.400 3.727 3.520 3.926 . 0 0 "[ . 1 . 2]" 1 2141 1 83 ASP H 1 83 ASP HB2 . . 3.760 2.460 2.289 2.664 . 0 0 "[ . 1 . 2]" 1 2142 1 83 ASP H 1 84 VAL H . . 3.610 2.269 2.083 2.446 . 0 0 "[ . 1 . 2]" 1 2143 1 83 ASP H 1 84 VAL QG . . 5.440 3.670 3.372 4.108 . 0 0 "[ . 1 . 2]" 1 2144 1 83 ASP H 1 85 LYS H . . 4.990 3.789 3.623 4.150 . 0 0 "[ . 1 . 2]" 1 2145 1 83 ASP H 1 85 LYS QE . . 5.310 5.056 4.765 5.389 0.079 9 0 "[ . 1 . 2]" 1 2146 1 83 ASP H 1 86 MET QG . . 5.500 4.348 4.158 4.559 . 0 0 "[ . 1 . 2]" 1 2147 1 83 ASP HA 1 86 MET H . . 4.220 3.708 3.480 4.027 . 0 0 "[ . 1 . 2]" 1 2148 1 83 ASP HA 1 86 MET HB2 . . 4.130 3.432 3.092 3.774 . 0 0 "[ . 1 . 2]" 1 2149 1 83 ASP HA 1 86 MET HB3 . . 5.000 4.840 4.591 5.058 0.058 20 0 "[ . 1 . 2]" 1 2150 1 83 ASP HA 1 86 MET QG . . 5.420 2.634 2.271 2.841 . 0 0 "[ . 1 . 2]" 1 2151 1 83 ASP HA 1 87 MET H . . 5.480 4.214 3.896 4.512 . 0 0 "[ . 1 . 2]" 1 2152 1 83 ASP HB2 1 84 VAL H . . 4.010 2.578 2.273 2.952 . 0 0 "[ . 1 . 2]" 1 2153 1 83 ASP HB2 1 84 VAL QG . . 5.500 3.501 3.037 4.061 . 0 0 "[ . 1 . 2]" 1 2154 1 83 ASP HB2 1 87 MET ME . . 5.500 4.642 4.094 5.292 . 0 0 "[ . 1 . 2]" 1 2155 1 83 ASP HB2 1 87 MET QG . . 5.500 4.720 4.313 5.204 . 0 0 "[ . 1 . 2]" 1 2156 1 83 ASP HB3 1 84 VAL H . . 4.590 3.327 2.634 3.732 . 0 0 "[ . 1 . 2]" 1 2157 1 83 ASP HB3 1 84 VAL QG . . 5.390 4.005 3.584 4.346 . 0 0 "[ . 1 . 2]" 1 2158 1 83 ASP HB3 1 87 MET ME . . 4.400 4.210 3.708 4.511 0.111 2 0 "[ . 1 . 2]" 1 2159 1 84 VAL H 1 84 VAL HB . . 3.530 3.121 1.928 3.613 0.083 3 0 "[ . 1 . 2]" 1 2160 1 84 VAL H 1 84 VAL QG . . 3.190 2.222 1.942 2.663 . 0 0 "[ . 1 . 2]" 1 2161 1 84 VAL H 1 85 LYS H . . 3.670 2.878 2.701 3.163 . 0 0 "[ . 1 . 2]" 1 2162 1 84 VAL H 1 87 MET ME . . 4.580 4.136 3.738 4.643 0.063 13 0 "[ . 1 . 2]" 1 2163 1 84 VAL HA 1 84 VAL QG . . 3.250 2.333 2.131 2.457 . 0 0 "[ . 1 . 2]" 1 2164 1 84 VAL HA 1 85 LYS QB . . 5.230 5.325 5.305 5.353 0.123 8 0 "[ . 1 . 2]" 1 2165 1 84 VAL HA 1 86 MET H . . 5.500 3.805 3.604 4.048 . 0 0 "[ . 1 . 2]" 1 2166 1 84 VAL HA 1 87 MET H . . 4.640 3.452 3.217 3.794 . 0 0 "[ . 1 . 2]" 1 2167 1 84 VAL HA 1 87 MET HB2 . . 4.540 4.608 4.581 4.626 0.086 5 0 "[ . 1 . 2]" 1 2168 1 84 VAL HA 1 87 MET HB3 . . 4.320 4.102 3.613 4.345 0.025 3 0 "[ . 1 . 2]" 1 2169 1 84 VAL HA 1 87 MET ME . . 3.320 2.410 2.089 3.117 . 0 0 "[ . 1 . 2]" 1 2170 1 84 VAL HA 1 88 GLU H . . 4.800 3.739 3.572 3.999 . 0 0 "[ . 1 . 2]" 1 2171 1 84 VAL HA 1 88 GLU HA . . 5.500 5.569 5.409 5.593 0.093 16 0 "[ . 1 . 2]" 1 2172 1 84 VAL HA 1 88 GLU HG2 . . 5.500 4.201 3.235 5.358 . 0 0 "[ . 1 . 2]" 1 2173 1 84 VAL HB 1 85 LYS H . . 3.990 3.669 2.789 4.052 0.062 19 0 "[ . 1 . 2]" 1 2174 1 84 VAL HB 1 85 LYS HG2 . . 5.500 5.361 4.040 5.582 0.082 20 0 "[ . 1 . 2]" 1 2175 1 84 VAL QG 1 85 LYS H . . 4.310 2.330 2.163 2.515 . 0 0 "[ . 1 . 2]" 1 2176 1 84 VAL QG 1 85 LYS HA . . 4.670 3.105 2.996 3.199 . 0 0 "[ . 1 . 2]" 1 2177 1 84 VAL QG 1 85 LYS QD . . 4.160 3.953 3.782 4.203 0.043 7 0 "[ . 1 . 2]" 1 2178 1 84 VAL QG 1 85 LYS QE . . 5.500 4.337 4.015 5.091 . 0 0 "[ . 1 . 2]" 1 2179 1 84 VAL QG 1 85 LYS HG2 . . 3.960 3.058 2.680 3.275 . 0 0 "[ . 1 . 2]" 1 2180 1 84 VAL QG 1 85 LYS HG3 . . 3.700 2.621 2.218 3.864 0.164 7 0 "[ . 1 . 2]" 1 2181 1 84 VAL QG 1 86 MET H . . 5.500 4.186 4.104 4.250 . 0 0 "[ . 1 . 2]" 1 2182 1 84 VAL QG 1 87 MET ME . . 3.700 2.274 1.934 2.779 . 0 0 "[ . 1 . 2]" 1 2183 1 84 VAL QG 1 87 MET QG . . 4.210 3.269 3.104 3.468 . 0 0 "[ . 1 . 2]" 1 2184 1 84 VAL QG 1 88 GLU H . . 5.500 4.335 4.037 4.485 . 0 0 "[ . 1 . 2]" 1 2185 1 84 VAL QG 1 88 GLU HB2 . . 5.120 4.333 3.982 4.862 . 0 0 "[ . 1 . 2]" 1 2186 1 84 VAL QG 1 88 GLU HG2 . . 4.110 3.585 2.887 4.115 0.005 1 0 "[ . 1 . 2]" 1 2187 1 84 VAL QG 1 88 GLU HG3 . . 4.230 2.923 2.553 3.307 . 0 0 "[ . 1 . 2]" 1 2188 1 85 LYS H 1 85 LYS QB . . 3.630 2.295 2.142 2.843 . 0 0 "[ . 1 . 2]" 1 2189 1 85 LYS H 1 85 LYS QD . . 5.500 4.189 3.854 4.310 . 0 0 "[ . 1 . 2]" 1 2190 1 85 LYS H 1 85 LYS QE . . 5.500 3.755 3.408 4.368 . 0 0 "[ . 1 . 2]" 1 2191 1 85 LYS H 1 85 LYS HG2 . . 4.040 3.235 2.211 3.497 . 0 0 "[ . 1 . 2]" 1 2192 1 85 LYS H 1 85 LYS HG3 . . 4.520 2.321 2.081 2.424 . 0 0 "[ . 1 . 2]" 1 2193 1 85 LYS H 1 86 MET H . . 3.260 2.767 2.638 2.869 . 0 0 "[ . 1 . 2]" 1 2194 1 85 LYS H 1 86 MET QG . . 5.500 3.781 3.690 3.901 . 0 0 "[ . 1 . 2]" 1 2195 1 85 LYS H 1 87 MET H . . 5.300 4.599 4.422 4.758 . 0 0 "[ . 1 . 2]" 1 2196 1 85 LYS HA 1 85 LYS HG2 . . 4.200 2.479 2.253 3.655 . 0 0 "[ . 1 . 2]" 1 2197 1 85 LYS HA 1 85 LYS HG3 . . 4.090 3.176 2.977 3.847 . 0 0 "[ . 1 . 2]" 1 2198 1 85 LYS HA 1 88 GLU H . . 4.240 3.833 3.436 4.242 0.002 18 0 "[ . 1 . 2]" 1 2199 1 85 LYS HA 1 88 GLU HB2 . . 3.790 2.880 2.503 3.853 0.063 2 0 "[ . 1 . 2]" 1 2200 1 85 LYS HA 1 88 GLU HG2 . . 4.580 4.333 3.817 4.709 0.129 18 0 "[ . 1 . 2]" 1 2201 1 85 LYS HA 1 88 GLU HG3 . . 5.250 3.185 2.266 3.949 . 0 0 "[ . 1 . 2]" 1 2202 1 85 LYS QB 1 86 MET H . . 3.630 3.166 2.828 3.733 0.103 7 0 "[ . 1 . 2]" 1 2203 1 85 LYS QE 1 86 MET ME . . 5.500 4.562 3.094 5.561 0.061 1 0 "[ . 1 . 2]" 1 2204 1 85 LYS HG2 1 86 MET H . . 5.390 5.084 4.419 5.269 . 0 0 "[ . 1 . 2]" 1 2205 1 86 MET H 1 86 MET QG . . 3.540 2.086 1.907 2.309 . 0 0 "[ . 1 . 2]" 1 2206 1 86 MET H 1 87 MET H . . 3.760 2.405 2.265 2.553 . 0 0 "[ . 1 . 2]" 1 2207 1 86 MET H 1 87 MET QG . . 4.300 3.490 3.174 3.983 . 0 0 "[ . 1 . 2]" 1 2208 1 86 MET H 1 88 GLU H . . 4.230 3.586 3.406 3.742 . 0 0 "[ . 1 . 2]" 1 2209 1 86 MET H 1 88 GLU HB2 . . 5.500 4.545 4.219 5.392 . 0 0 "[ . 1 . 2]" 1 2210 1 86 MET H 1 88 GLU HG3 . . 5.500 5.176 4.259 5.829 0.329 4 0 "[ . 1 . 2]" 1 2211 1 86 MET H 1 89 ARG H . . 5.500 5.119 4.843 5.305 . 0 0 "[ . 1 . 2]" 1 2212 1 86 MET HA 1 86 MET ME . . 4.840 4.143 3.636 4.420 . 0 0 "[ . 1 . 2]" 1 2213 1 86 MET HA 1 86 MET QG . . 3.810 3.187 3.084 3.284 . 0 0 "[ . 1 . 2]" 1 2214 1 86 MET HA 1 87 MET HA . . 5.200 4.774 4.674 4.872 . 0 0 "[ . 1 . 2]" 1 2215 1 86 MET HA 1 88 GLU H . . 5.040 4.308 4.118 4.497 . 0 0 "[ . 1 . 2]" 1 2216 1 86 MET HA 1 89 ARG H . . 4.360 3.941 3.691 4.103 . 0 0 "[ . 1 . 2]" 1 2217 1 86 MET HA 1 89 ARG HD3 . . 3.960 3.318 1.908 4.027 0.067 20 0 "[ . 1 . 2]" 1 2218 1 86 MET HA 1 89 ARG HE . . 5.050 4.287 3.267 5.111 0.061 15 0 "[ . 1 . 2]" 1 2219 1 86 MET HB2 1 87 MET H . . 4.350 2.372 2.120 2.802 . 0 0 "[ . 1 . 2]" 1 2220 1 86 MET HB2 1 87 MET QG . . 4.750 4.152 3.782 4.489 . 0 0 "[ . 1 . 2]" 1 2221 1 86 MET HB3 1 86 MET ME . . 4.020 3.379 2.890 3.978 . 0 0 "[ . 1 . 2]" 1 2222 1 86 MET HB3 1 87 MET H . . 4.640 3.697 3.463 4.098 . 0 0 "[ . 1 . 2]" 1 2223 1 86 MET ME 1 86 MET QG . . 3.520 2.180 2.060 2.282 . 0 0 "[ . 1 . 2]" 1 2224 1 86 MET QG 1 87 MET H . . 5.120 3.527 3.347 3.691 . 0 0 "[ . 1 . 2]" 1 2225 1 86 MET QG 1 87 MET QG . . 5.390 4.708 4.536 4.987 . 0 0 "[ . 1 . 2]" 1 2226 1 87 MET H 1 87 MET HB2 . . 4.110 3.578 3.428 3.675 . 0 0 "[ . 1 . 2]" 1 2227 1 87 MET H 1 87 MET HB3 . . 3.710 2.553 2.228 2.804 . 0 0 "[ . 1 . 2]" 1 2228 1 87 MET H 1 87 MET ME . . 5.500 4.455 4.237 4.631 . 0 0 "[ . 1 . 2]" 1 2229 1 87 MET H 1 87 MET QG . . 5.010 2.120 1.795 2.541 . 0 0 "[ . 1 . 2]" 1 2230 1 87 MET H 1 88 GLU H . . 3.710 2.791 2.694 2.985 . 0 0 "[ . 1 . 2]" 1 2231 1 87 MET H 1 88 GLU HA . . 5.500 5.322 5.105 5.557 0.057 18 0 "[ . 1 . 2]" 1 2232 1 87 MET H 1 89 ARG H . . 5.320 4.293 4.137 4.605 . 0 0 "[ . 1 . 2]" 1 2233 1 87 MET H 1 90 VAL QG . . 5.500 3.818 3.448 4.057 . 0 0 "[ . 1 . 2]" 1 2234 1 87 MET HA 1 89 ARG H . . 5.320 3.517 3.262 4.031 . 0 0 "[ . 1 . 2]" 1 2235 1 87 MET HA 1 89 ARG HD3 . . 5.500 5.543 5.339 5.595 0.095 20 0 "[ . 1 . 2]" 1 2236 1 87 MET HA 1 90 VAL H . . 4.090 2.588 2.200 3.134 . 0 0 "[ . 1 . 2]" 1 2237 1 87 MET HA 1 90 VAL HB . . 3.870 2.480 1.870 3.963 0.093 5 0 "[ . 1 . 2]" 1 2238 1 87 MET HA 1 90 VAL QG . . 3.700 2.151 1.830 2.522 . 0 0 "[ . 1 . 2]" 1 2239 1 87 MET HA 1 91 VAL H . . 4.410 3.512 3.243 3.718 . 0 0 "[ . 1 . 2]" 1 2240 1 87 MET HA 1 91 VAL MG2 . . 4.770 4.092 3.501 4.846 0.076 20 0 "[ . 1 . 2]" 1 2241 1 87 MET HB2 1 88 GLU H . . 4.060 3.941 3.740 4.108 0.048 20 0 "[ . 1 . 2]" 1 2242 1 87 MET HB2 1 90 VAL QG . . 5.500 3.352 2.664 3.967 . 0 0 "[ . 1 . 2]" 1 2243 1 87 MET HB2 1 91 VAL HB . . 4.610 4.464 3.741 4.676 0.066 4 0 "[ . 1 . 2]" 1 2244 1 87 MET HB2 1 91 VAL MG2 . . 3.940 3.218 2.584 4.022 0.082 7 0 "[ . 1 . 2]" 1 2245 1 87 MET HB3 1 87 MET ME . . 3.440 3.498 2.817 3.569 0.129 10 0 "[ . 1 . 2]" 1 2246 1 87 MET HB3 1 88 GLU H . . 4.390 4.142 3.949 4.323 . 0 0 "[ . 1 . 2]" 1 2247 1 87 MET HB3 1 90 VAL QG . . 5.500 3.442 3.045 3.781 . 0 0 "[ . 1 . 2]" 1 2248 1 87 MET HB3 1 91 VAL MG2 . . 5.500 4.562 4.011 5.464 . 0 0 "[ . 1 . 2]" 1 2249 1 87 MET ME 1 88 GLU HA . . 5.380 5.111 4.736 5.490 0.110 13 0 "[ . 1 . 2]" 1 2250 1 87 MET QG 1 88 GLU HG3 . . 4.050 3.912 2.611 4.701 0.651 4 1 "[ +. 1 . 2]" 1 2251 1 87 MET QG 1 91 VAL MG2 . . 5.360 4.646 4.015 5.071 . 0 0 "[ . 1 . 2]" 1 2252 1 88 GLU H 1 88 GLU HB2 . . 3.170 2.297 2.169 2.811 . 0 0 "[ . 1 . 2]" 1 2253 1 88 GLU H 1 88 GLU HB3 . . 3.550 3.521 3.465 3.617 0.067 2 0 "[ . 1 . 2]" 1 2254 1 88 GLU H 1 88 GLU HG2 . . 3.850 2.883 2.371 3.738 . 0 0 "[ . 1 . 2]" 1 2255 1 88 GLU H 1 88 GLU HG3 . . 4.080 3.107 2.440 3.651 . 0 0 "[ . 1 . 2]" 1 2256 1 88 GLU H 1 89 ARG H . . 3.580 2.828 2.739 3.050 . 0 0 "[ . 1 . 2]" 1 2257 1 88 GLU H 1 90 VAL H . . 4.370 4.178 4.053 4.371 0.001 18 0 "[ . 1 . 2]" 1 2258 1 88 GLU HA 1 88 GLU HG2 . . 4.040 2.459 2.224 2.747 . 0 0 "[ . 1 . 2]" 1 2259 1 88 GLU HA 1 88 GLU HG3 . . 3.200 3.404 2.716 3.713 0.513 18 1 "[ . 1 . + 2]" 1 2260 1 88 GLU HA 1 90 VAL H . . 5.400 4.762 4.446 5.071 . 0 0 "[ . 1 . 2]" 1 2261 1 88 GLU HA 1 91 VAL H . . 4.700 4.336 4.022 4.573 . 0 0 "[ . 1 . 2]" 1 2262 1 88 GLU HA 1 91 VAL MG1 . . 5.020 4.929 4.586 5.101 0.081 16 0 "[ . 1 . 2]" 1 2263 1 88 GLU HB2 1 89 ARG H . . 3.680 3.245 2.749 3.676 . 0 0 "[ . 1 . 2]" 1 2264 1 88 GLU HB2 1 89 ARG HD3 . . 5.200 3.177 2.188 4.866 . 0 0 "[ . 1 . 2]" 1 2265 1 88 GLU HB3 1 89 ARG H . . 4.590 3.895 3.447 4.265 . 0 0 "[ . 1 . 2]" 1 2266 1 88 GLU HG2 1 89 ARG H . . 5.500 4.950 4.609 5.261 . 0 0 "[ . 1 . 2]" 1 2267 1 88 GLU HG3 1 89 ARG H . . 4.940 5.182 4.220 5.568 0.628 16 4 "[ *. -1 .+* 2]" 1 2268 1 89 ARG H 1 89 ARG HB2 . . 3.180 2.774 2.423 3.654 0.474 2 0 "[ . 1 . 2]" 1 2269 1 89 ARG H 1 89 ARG HB3 . . 3.600 3.628 2.853 3.690 0.090 16 0 "[ . 1 . 2]" 1 2270 1 89 ARG H 1 89 ARG HD2 . . 5.500 2.839 1.779 3.359 . 0 0 "[ . 1 . 2]" 1 2271 1 89 ARG H 1 89 ARG HD3 . . 5.500 2.613 2.211 3.189 . 0 0 "[ . 1 . 2]" 1 2272 1 89 ARG H 1 89 ARG HG3 . . 3.870 3.810 3.176 4.283 0.413 8 0 "[ . 1 . 2]" 1 2273 1 89 ARG H 1 90 VAL H . . 3.390 2.179 1.948 2.349 . 0 0 "[ . 1 . 2]" 1 2274 1 89 ARG H 1 90 VAL QG . . 5.150 3.667 3.344 3.924 . 0 0 "[ . 1 . 2]" 1 2275 1 89 ARG H 1 91 VAL H . . 4.930 4.087 3.709 4.642 . 0 0 "[ . 1 . 2]" 1 2276 1 89 ARG HA 1 89 ARG HD2 . . 3.890 3.157 2.387 3.918 0.028 4 0 "[ . 1 . 2]" 1 2277 1 89 ARG HA 1 89 ARG HG2 . . 4.060 3.794 3.581 3.947 . 0 0 "[ . 1 . 2]" 1 2278 1 89 ARG HA 1 89 ARG HG3 . . 3.880 3.189 2.325 4.146 0.266 2 0 "[ . 1 . 2]" 1 2279 1 89 ARG HA 1 90 VAL HA . . 5.500 4.858 4.698 4.972 . 0 0 "[ . 1 . 2]" 1 2280 1 89 ARG HA 1 90 VAL QG . . 5.500 4.923 4.716 5.101 . 0 0 "[ . 1 . 2]" 1 2281 1 89 ARG HA 1 91 VAL H . . 5.500 4.622 4.399 4.992 . 0 0 "[ . 1 . 2]" 1 2282 1 89 ARG HA 1 92 GLU HB2 . . 4.690 2.788 2.247 3.181 . 0 0 "[ . 1 . 2]" 1 2283 1 89 ARG HA 1 92 GLU QG . . 4.990 4.288 3.670 4.614 . 0 0 "[ . 1 . 2]" 1 2284 1 89 ARG HA 1 93 GLN H . . 4.790 4.087 3.843 4.392 . 0 0 "[ . 1 . 2]" 1 2285 1 89 ARG HA 1 93 GLN HE22 . . 5.500 4.719 3.885 5.657 0.157 18 0 "[ . 1 . 2]" 1 2286 1 89 ARG HB2 1 89 ARG HE . . 5.270 4.435 3.467 5.079 . 0 0 "[ . 1 . 2]" 1 2287 1 89 ARG HB2 1 90 VAL H . . 3.780 2.949 2.530 3.567 . 0 0 "[ . 1 . 2]" 1 2288 1 89 ARG HB3 1 89 ARG HE . . 5.500 4.651 2.543 5.337 . 0 0 "[ . 1 . 2]" 1 2289 1 89 ARG HB3 1 90 VAL H . . 4.380 3.996 3.545 4.409 0.029 6 0 "[ . 1 . 2]" 1 2290 1 89 ARG HB3 1 90 VAL HA . . 5.020 4.826 4.285 5.737 0.717 2 1 "[ + . 1 . 2]" 1 2291 1 89 ARG HD2 1 90 VAL H . . 4.980 4.711 3.538 5.054 0.074 6 0 "[ . 1 . 2]" 1 2292 1 89 ARG HG2 1 90 VAL H . . 5.500 4.543 2.086 5.476 . 0 0 "[ . 1 . 2]" 1 2293 1 89 ARG HG3 1 90 VAL H . . 5.010 5.014 3.727 5.343 0.333 14 0 "[ . 1 . 2]" 1 2294 1 90 VAL H 1 90 VAL HB . . 3.440 2.710 2.335 3.526 0.086 9 0 "[ . 1 . 2]" 1 2295 1 90 VAL H 1 90 VAL QG . . 3.730 2.139 1.919 2.418 . 0 0 "[ . 1 . 2]" 1 2296 1 90 VAL H 1 91 VAL H . . 3.410 2.977 2.714 3.174 . 0 0 "[ . 1 . 2]" 1 2297 1 90 VAL H 1 91 VAL MG2 . . 5.450 4.724 4.217 5.293 . 0 0 "[ . 1 . 2]" 1 2298 1 90 VAL HA 1 91 VAL MG2 . . 5.500 4.977 4.847 5.224 . 0 0 "[ . 1 . 2]" 1 2299 1 90 VAL HA 1 93 GLN H . . 4.320 3.421 3.174 3.611 . 0 0 "[ . 1 . 2]" 1 2300 1 90 VAL HA 1 93 GLN HE21 . . 5.480 4.092 3.441 4.923 . 0 0 "[ . 1 . 2]" 1 2301 1 90 VAL HA 1 93 GLN HG2 . . 3.920 2.561 2.171 2.983 . 0 0 "[ . 1 . 2]" 1 2302 1 90 VAL HA 1 93 GLN HG3 . . 4.890 3.670 2.501 4.245 . 0 0 "[ . 1 . 2]" 1 2303 1 90 VAL HB 1 91 VAL H . . 3.850 2.694 2.159 3.927 0.077 3 0 "[ . 1 . 2]" 1 2304 1 90 VAL HB 1 91 VAL MG2 . . 5.500 3.474 2.793 4.580 . 0 0 "[ . 1 . 2]" 1 2305 1 90 VAL HB 1 93 GLN H . . 5.500 5.358 4.863 5.559 0.059 4 0 "[ . 1 . 2]" 1 2306 1 90 VAL QG 1 91 VAL H . . 3.850 2.711 2.038 3.060 . 0 0 "[ . 1 . 2]" 1 2307 1 90 VAL QG 1 91 VAL MG2 . . 3.890 2.569 2.118 2.921 . 0 0 "[ . 1 . 2]" 1 2308 1 90 VAL QG 1 93 GLN H . . 5.500 4.376 4.094 4.581 . 0 0 "[ . 1 . 2]" 1 2309 1 90 VAL QG 1 93 GLN HB2 . . 5.500 4.070 3.528 4.586 . 0 0 "[ . 1 . 2]" 1 2310 1 90 VAL QG 1 94 MET H . . 5.130 4.349 4.074 4.589 . 0 0 "[ . 1 . 2]" 1 2311 1 90 VAL QG 1 94 MET ME . . 3.590 2.624 2.086 3.338 . 0 0 "[ . 1 . 2]" 1 2312 1 90 VAL QG 1 94 MET QG . . 4.910 4.098 3.565 4.448 . 0 0 "[ . 1 . 2]" 1 2313 1 91 VAL H 1 91 VAL HB . . 3.210 2.239 2.080 2.468 . 0 0 "[ . 1 . 2]" 1 2314 1 91 VAL H 1 91 VAL MG1 . . 4.330 3.654 3.509 3.779 . 0 0 "[ . 1 . 2]" 1 2315 1 91 VAL H 1 91 VAL MG2 . . 3.450 2.430 2.127 2.877 . 0 0 "[ . 1 . 2]" 1 2316 1 91 VAL H 1 92 GLU H . . 3.250 2.642 2.495 2.760 . 0 0 "[ . 1 . 2]" 1 2317 1 91 VAL H 1 92 GLU HB3 . . 5.060 5.128 4.872 5.509 0.449 7 0 "[ . 1 . 2]" 1 2318 1 91 VAL H 1 93 GLN H . . 5.110 4.273 4.010 4.447 . 0 0 "[ . 1 . 2]" 1 2319 1 91 VAL H 1 94 MET ME . . 5.240 4.114 3.696 4.479 . 0 0 "[ . 1 . 2]" 1 2320 1 91 VAL HA 1 91 VAL MG2 . . 3.380 2.240 2.121 2.372 . 0 0 "[ . 1 . 2]" 1 2321 1 91 VAL HA 1 93 GLN H . . 5.190 4.308 4.033 4.560 . 0 0 "[ . 1 . 2]" 1 2322 1 91 VAL HA 1 94 MET HB2 . . 4.290 3.830 3.373 4.264 . 0 0 "[ . 1 . 2]" 1 2323 1 91 VAL HA 1 94 MET ME . . 3.310 2.048 1.874 2.634 . 0 0 "[ . 1 . 2]" 1 2324 1 91 VAL HA 1 94 MET QG . . 5.120 4.393 3.228 4.739 . 0 0 "[ . 1 . 2]" 1 2325 1 91 VAL HA 1 95 CYS H . . 4.700 4.101 3.891 4.351 . 0 0 "[ . 1 . 2]" 1 2326 1 91 VAL HB 1 92 GLU H . . 4.140 2.983 2.682 3.296 . 0 0 "[ . 1 . 2]" 1 2327 1 91 VAL MG1 1 92 GLU H . . 4.470 3.390 3.043 3.722 . 0 0 "[ . 1 . 2]" 1 2328 1 91 VAL MG1 1 92 GLU HA . . 4.930 3.661 3.252 4.009 . 0 0 "[ . 1 . 2]" 1 2329 1 91 VAL MG1 1 95 CYS H . . 4.650 4.157 3.986 4.525 . 0 0 "[ . 1 . 2]" 1 2330 1 91 VAL MG2 1 92 GLU H . . 4.560 4.133 3.832 4.341 . 0 0 "[ . 1 . 2]" 1 2331 1 91 VAL MG2 1 93 GLN H . . 5.500 5.504 5.330 5.588 0.088 4 0 "[ . 1 . 2]" 1 2332 1 91 VAL MG2 1 94 MET ME . . 4.280 2.395 2.025 2.830 . 0 0 "[ . 1 . 2]" 1 2333 1 91 VAL MG2 1 95 CYS H . . 5.500 5.468 5.122 5.601 0.101 15 0 "[ . 1 . 2]" 1 2334 1 92 GLU H 1 92 GLU HB2 . . 3.150 2.302 2.042 2.542 . 0 0 "[ . 1 . 2]" 1 2335 1 92 GLU H 1 92 GLU HB3 . . 3.180 2.813 2.577 3.078 . 0 0 "[ . 1 . 2]" 1 2336 1 92 GLU H 1 92 GLU QG . . 4.470 3.855 3.651 3.950 . 0 0 "[ . 1 . 2]" 1 2337 1 92 GLU H 1 93 GLN H . . 3.570 2.921 2.750 3.195 . 0 0 "[ . 1 . 2]" 1 2338 1 92 GLU H 1 95 CYS H . . 5.500 4.881 4.691 5.104 . 0 0 "[ . 1 . 2]" 1 2339 1 92 GLU H 1 95 CYS HB2 . . 5.500 5.115 4.601 5.578 0.078 1 0 "[ . 1 . 2]" 1 2340 1 92 GLU HA 1 92 GLU QG . . 3.840 2.224 2.119 2.345 . 0 0 "[ . 1 . 2]" 1 2341 1 92 GLU HA 1 95 CYS H . . 4.310 3.586 3.376 3.783 . 0 0 "[ . 1 . 2]" 1 2342 1 92 GLU HA 1 95 CYS HA . . 5.500 5.328 5.065 5.572 0.072 8 0 "[ . 1 . 2]" 1 2343 1 92 GLU HA 1 95 CYS HB3 . . 4.550 3.326 2.341 4.222 . 0 0 "[ . 1 . 2]" 1 2344 1 92 GLU HA 1 96 VAL H . . 5.210 3.753 3.457 3.899 . 0 0 "[ . 1 . 2]" 1 2345 1 92 GLU HB2 1 93 GLN H . . 4.410 3.871 3.553 4.183 . 0 0 "[ . 1 . 2]" 1 2346 1 92 GLU HB3 1 93 GLN H . . 4.300 2.770 2.566 3.166 . 0 0 "[ . 1 . 2]" 1 2347 1 92 GLU QG 1 93 GLN H . . 5.250 4.086 3.718 4.418 . 0 0 "[ . 1 . 2]" 1 2348 1 92 GLU QG 1 95 CYS HB2 . . 5.420 4.148 3.165 4.960 . 0 0 "[ . 1 . 2]" 1 2349 1 92 GLU QG 1 95 CYS HB3 . . 5.500 4.059 3.281 4.966 . 0 0 "[ . 1 . 2]" 1 2350 1 92 GLU QG 1 96 VAL H . . 5.500 3.817 3.526 4.582 . 0 0 "[ . 1 . 2]" 1 2351 1 92 GLU QG 1 96 VAL QG . . 5.500 2.632 1.949 4.015 . 0 0 "[ . 1 . 2]" 1 2352 1 93 GLN H 1 93 GLN HB2 . . 2.950 2.644 2.509 2.784 . 0 0 "[ . 1 . 2]" 1 2353 1 93 GLN H 1 93 GLN HB3 . . 3.580 3.641 3.625 3.653 0.073 6 0 "[ . 1 . 2]" 1 2354 1 93 GLN H 1 93 GLN HE21 . . 5.020 3.336 2.734 4.131 . 0 0 "[ . 1 . 2]" 1 2355 1 93 GLN H 1 93 GLN HG2 . . 3.840 2.478 2.118 2.766 . 0 0 "[ . 1 . 2]" 1 2356 1 93 GLN H 1 93 GLN HG3 . . 4.060 3.872 3.527 4.069 0.009 20 0 "[ . 1 . 2]" 1 2357 1 93 GLN H 1 94 MET H . . 3.480 3.064 2.774 3.228 . 0 0 "[ . 1 . 2]" 1 2358 1 93 GLN H 1 94 MET QG . . 5.500 5.036 4.150 5.334 . 0 0 "[ . 1 . 2]" 1 2359 1 93 GLN H 1 95 CYS H . . 4.840 4.215 3.973 4.403 . 0 0 "[ . 1 . 2]" 1 2360 1 93 GLN H 1 96 VAL H . . 5.500 4.698 4.570 4.865 . 0 0 "[ . 1 . 2]" 1 2361 1 93 GLN HA 1 93 GLN HE21 . . 4.950 4.021 3.421 4.630 . 0 0 "[ . 1 . 2]" 1 2362 1 93 GLN HA 1 93 GLN HE22 . . 5.500 3.908 3.287 4.394 . 0 0 "[ . 1 . 2]" 1 2363 1 93 GLN HA 1 93 GLN HG2 . . 3.770 3.502 3.240 3.655 . 0 0 "[ . 1 . 2]" 1 2364 1 93 GLN HA 1 93 GLN HG3 . . 3.870 3.767 3.635 3.933 0.063 18 0 "[ . 1 . 2]" 1 2365 1 93 GLN HA 1 94 MET QG . . 5.500 5.214 4.840 5.360 . 0 0 "[ . 1 . 2]" 1 2366 1 93 GLN HA 1 95 CYS H . . 5.020 4.494 4.342 4.669 . 0 0 "[ . 1 . 2]" 1 2367 1 93 GLN HA 1 96 VAL H . . 3.970 3.571 3.258 4.020 0.050 18 0 "[ . 1 . 2]" 1 2368 1 93 GLN HA 1 96 VAL HB . . 3.910 2.982 2.604 3.433 . 0 0 "[ . 1 . 2]" 1 2369 1 93 GLN HA 1 96 VAL QG . . 3.920 2.543 2.305 2.923 . 0 0 "[ . 1 . 2]" 1 2370 1 93 GLN HA 1 97 THR H . . 4.670 3.816 3.584 4.271 . 0 0 "[ . 1 . 2]" 1 2371 1 93 GLN HA 1 97 THR HB . . 4.770 4.855 4.840 4.866 0.096 15 0 "[ . 1 . 2]" 1 2372 1 93 GLN HB2 1 93 GLN HG2 . . 3.000 2.343 2.245 2.510 . 0 0 "[ . 1 . 2]" 1 2373 1 93 GLN HB2 1 94 MET H . . 4.240 2.364 2.257 2.490 . 0 0 "[ . 1 . 2]" 1 2374 1 93 GLN HB3 1 93 GLN HG3 . . 3.000 2.324 2.190 2.539 . 0 0 "[ . 1 . 2]" 1 2375 1 93 GLN HB3 1 94 MET H . . 3.380 3.407 3.214 3.462 0.082 9 0 "[ . 1 . 2]" 1 2376 1 93 GLN HB3 1 94 MET HA . . 5.130 4.063 3.910 4.264 . 0 0 "[ . 1 . 2]" 1 2377 1 93 GLN HB3 1 94 MET QG . . 5.500 3.969 3.630 4.273 . 0 0 "[ . 1 . 2]" 1 2378 1 93 GLN HB3 1 95 CYS H . . 5.500 5.431 5.288 5.566 0.066 18 0 "[ . 1 . 2]" 1 2379 1 93 GLN HB3 1 97 THR H . . 5.500 4.859 4.569 5.398 . 0 0 "[ . 1 . 2]" 1 2380 1 93 GLN HE21 1 96 VAL QG . . 5.500 4.884 4.273 5.282 . 0 0 "[ . 1 . 2]" 1 2381 1 93 GLN HE22 1 96 VAL QG . . 5.310 4.216 3.644 5.058 . 0 0 "[ . 1 . 2]" 1 2382 1 93 GLN HG3 1 94 MET H . . 5.250 4.859 4.565 4.984 . 0 0 "[ . 1 . 2]" 1 2383 1 94 MET H 1 94 MET ME . . 4.410 3.315 2.944 3.796 . 0 0 "[ . 1 . 2]" 1 2384 1 94 MET H 1 94 MET QG . . 3.720 2.472 1.827 2.832 . 0 0 "[ . 1 . 2]" 1 2385 1 94 MET H 1 95 CYS H . . 3.410 2.661 2.570 2.793 . 0 0 "[ . 1 . 2]" 1 2386 1 94 MET H 1 96 VAL QG . . 5.500 4.790 4.596 5.010 . 0 0 "[ . 1 . 2]" 1 2387 1 94 MET H 1 97 THR HB . . 5.500 4.725 4.589 4.930 . 0 0 "[ . 1 . 2]" 1 2388 1 94 MET HA 1 94 MET QG . . 3.710 2.517 2.398 2.666 . 0 0 "[ . 1 . 2]" 1 2389 1 94 MET HA 1 96 VAL HB . . 5.500 5.501 5.045 5.597 0.097 11 0 "[ . 1 . 2]" 1 2390 1 94 MET HA 1 96 VAL QG . . 5.280 4.785 4.358 5.160 . 0 0 "[ . 1 . 2]" 1 2391 1 94 MET HA 1 97 THR H . . 4.140 3.427 3.247 3.605 . 0 0 "[ . 1 . 2]" 1 2392 1 94 MET HA 1 97 THR HA . . 5.500 5.220 5.008 5.460 . 0 0 "[ . 1 . 2]" 1 2393 1 94 MET HA 1 97 THR HB . . 3.490 2.263 2.083 2.499 . 0 0 "[ . 1 . 2]" 1 2394 1 94 MET HA 1 97 THR MG . . 5.060 3.364 3.272 3.463 . 0 0 "[ . 1 . 2]" 1 2395 1 94 MET HA 1 98 GLN H . . 5.110 3.707 3.535 3.935 . 0 0 "[ . 1 . 2]" 1 2396 1 94 MET HB2 1 94 MET ME . . 2.650 2.254 2.035 2.640 . 0 0 "[ . 1 . 2]" 1 2397 1 94 MET HB2 1 95 CYS H . . 4.290 2.762 2.592 2.911 . 0 0 "[ . 1 . 2]" 1 2398 1 94 MET HB2 1 95 CYS HA . . 4.060 4.143 4.126 4.155 0.095 19 0 "[ . 1 . 2]" 1 2399 1 94 MET HB2 1 97 THR HB . . 5.170 5.040 4.906 5.206 0.036 2 0 "[ . 1 . 2]" 1 2400 1 94 MET HB2 1 97 THR MG . . 5.500 5.599 5.567 5.618 0.118 10 0 "[ . 1 . 2]" 1 2401 1 94 MET HB3 1 94 MET ME . . 3.260 3.204 2.967 3.356 0.096 10 0 "[ . 1 . 2]" 1 2402 1 94 MET HB3 1 97 THR MG . . 5.050 4.560 4.482 4.613 . 0 0 "[ . 1 . 2]" 1 2403 1 94 MET QG 1 95 CYS H . . 5.500 4.283 3.681 4.442 . 0 0 "[ . 1 . 2]" 1 2404 1 95 CYS H 1 95 CYS HB2 . . 3.430 2.465 2.263 2.698 . 0 0 "[ . 1 . 2]" 1 2405 1 95 CYS H 1 95 CYS HB3 . . 3.790 3.166 2.610 3.633 . 0 0 "[ . 1 . 2]" 1 2406 1 95 CYS H 1 96 VAL H . . 3.620 2.844 2.675 2.950 . 0 0 "[ . 1 . 2]" 1 2407 1 95 CYS H 1 97 THR H . . 4.850 4.220 3.986 4.503 . 0 0 "[ . 1 . 2]" 1 2408 1 95 CYS H 1 97 THR HB . . 5.500 4.822 4.712 4.972 . 0 0 "[ . 1 . 2]" 1 2409 1 95 CYS HA 1 96 VAL QG . . 5.500 4.922 4.648 5.125 . 0 0 "[ . 1 . 2]" 1 2410 1 95 CYS HA 1 97 THR H . . 4.820 4.492 4.056 4.883 0.063 17 0 "[ . 1 . 2]" 1 2411 1 95 CYS HA 1 98 GLN H . . 4.250 3.448 3.062 3.713 . 0 0 "[ . 1 . 2]" 1 2412 1 95 CYS HA 1 98 GLN HB2 . . 4.280 3.355 2.865 3.731 . 0 0 "[ . 1 . 2]" 1 2413 1 95 CYS HA 1 98 GLN HB3 . . 3.900 2.986 2.609 3.473 . 0 0 "[ . 1 . 2]" 1 2414 1 95 CYS HA 1 98 GLN HG3 . . 5.400 5.073 4.276 5.483 0.083 16 0 "[ . 1 . 2]" 1 2415 1 95 CYS HB2 1 96 VAL H . . 4.480 3.130 2.229 3.899 . 0 0 "[ . 1 . 2]" 1 2416 1 95 CYS HB3 1 96 VAL H . . 4.490 2.888 2.413 3.378 . 0 0 "[ . 1 . 2]" 1 2417 1 95 CYS HB3 1 96 VAL HB . . 5.500 4.896 3.901 5.593 0.093 2 0 "[ . 1 . 2]" 1 2418 1 95 CYS HB3 1 96 VAL QG . . 5.500 3.915 3.130 4.737 . 0 0 "[ . 1 . 2]" 1 2419 1 95 CYS HB3 1 97 THR H . . 5.140 5.183 5.043 5.231 0.091 11 0 "[ . 1 . 2]" 1 2420 1 96 VAL H 1 96 VAL HB . . 3.230 2.319 1.912 2.971 . 0 0 "[ . 1 . 2]" 1 2421 1 96 VAL H 1 96 VAL QG . . 3.450 2.460 1.959 2.867 . 0 0 "[ . 1 . 2]" 1 2422 1 96 VAL H 1 97 THR H . . 3.600 2.696 2.577 2.815 . 0 0 "[ . 1 . 2]" 1 2423 1 96 VAL H 1 97 THR HB . . 5.500 4.477 4.304 4.637 . 0 0 "[ . 1 . 2]" 1 2424 1 96 VAL H 1 98 GLN H . . 5.500 4.273 4.135 4.427 . 0 0 "[ . 1 . 2]" 1 2425 1 96 VAL HA 1 96 VAL QG . . 3.270 2.149 2.076 2.238 . 0 0 "[ . 1 . 2]" 1 2426 1 96 VAL HA 1 97 THR HA . . 5.500 4.873 4.764 4.984 . 0 0 "[ . 1 . 2]" 1 2427 1 96 VAL HA 1 98 GLN H . . 5.500 4.725 4.539 4.939 . 0 0 "[ . 1 . 2]" 1 2428 1 96 VAL HA 1 99 TYR H . . 4.360 3.761 3.445 4.137 . 0 0 "[ . 1 . 2]" 1 2429 1 96 VAL HA 1 99 TYR HB2 . . 4.120 3.670 3.392 4.123 0.003 7 0 "[ . 1 . 2]" 1 2430 1 96 VAL HA 1 99 TYR HB3 . . 4.470 2.846 2.503 3.278 . 0 0 "[ . 1 . 2]" 1 2431 1 96 VAL HA 1 99 TYR QD . . 4.760 4.139 3.491 4.561 . 0 0 "[ . 1 . 2]" 1 2432 1 96 VAL HA 1 100 GLN H . . 5.500 4.402 4.135 4.762 . 0 0 "[ . 1 . 2]" 1 2433 1 96 VAL HA 1 100 GLN HG2 . . 5.280 4.504 4.058 5.338 0.058 4 0 "[ . 1 . 2]" 1 2434 1 96 VAL HB 1 97 THR H . . 3.430 2.843 2.353 3.242 . 0 0 "[ . 1 . 2]" 1 2435 1 96 VAL QG 1 97 THR H . . 4.180 2.636 2.007 3.255 . 0 0 "[ . 1 . 2]" 1 2436 1 96 VAL QG 1 97 THR HA . . 5.380 3.532 3.006 4.214 . 0 0 "[ . 1 . 2]" 1 2437 1 96 VAL QG 1 97 THR HB . . 5.500 4.095 3.443 4.848 . 0 0 "[ . 1 . 2]" 1 2438 1 96 VAL QG 1 99 TYR H . . 5.500 4.632 4.418 4.859 . 0 0 "[ . 1 . 2]" 1 2439 1 96 VAL QG 1 99 TYR QD . . 4.640 3.970 3.692 4.438 . 0 0 "[ . 1 . 2]" 1 2440 1 96 VAL QG 1 100 GLN H . . 5.500 4.336 4.060 4.635 . 0 0 "[ . 1 . 2]" 1 2441 1 96 VAL QG 1 100 GLN HE21 . . 4.300 3.045 2.064 4.031 . 0 0 "[ . 1 . 2]" 1 2442 1 96 VAL QG 1 100 GLN HE22 . . 4.760 3.794 2.998 4.382 . 0 0 "[ . 1 . 2]" 1 2443 1 96 VAL QG 1 100 GLN HG2 . . 4.720 3.552 2.836 4.134 . 0 0 "[ . 1 . 2]" 1 2444 1 96 VAL QG 1 100 GLN HG3 . . 4.920 3.248 2.900 3.741 . 0 0 "[ . 1 . 2]" 1 2445 1 97 THR H 1 97 THR HB . . 3.280 2.179 2.061 2.366 . 0 0 "[ . 1 . 2]" 1 2446 1 97 THR H 1 97 THR MG . . 4.460 3.653 3.578 3.735 . 0 0 "[ . 1 . 2]" 1 2447 1 97 THR H 1 98 GLN H . . 3.650 2.841 2.587 3.097 . 0 0 "[ . 1 . 2]" 1 2448 1 97 THR HA 1 97 THR MG . . 3.450 2.606 2.383 2.747 . 0 0 "[ . 1 . 2]" 1 2449 1 97 THR HA 1 99 TYR H . . 5.500 4.477 4.235 4.692 . 0 0 "[ . 1 . 2]" 1 2450 1 97 THR HA 1 100 GLN H . . 4.890 3.332 3.098 3.533 . 0 0 "[ . 1 . 2]" 1 2451 1 97 THR HA 1 100 GLN HB2 . . 3.910 3.028 2.629 3.147 . 0 0 "[ . 1 . 2]" 1 2452 1 97 THR HA 1 100 GLN HB3 . . 4.600 4.533 4.188 4.658 0.058 10 0 "[ . 1 . 2]" 1 2453 1 97 THR HA 1 100 GLN HE21 . . 5.500 5.185 4.322 5.585 0.085 20 0 "[ . 1 . 2]" 1 2454 1 97 THR HA 1 100 GLN HG2 . . 5.290 3.856 2.703 4.342 . 0 0 "[ . 1 . 2]" 1 2455 1 97 THR HA 1 100 GLN HG3 . . 5.500 2.504 2.206 3.052 . 0 0 "[ . 1 . 2]" 1 2456 1 97 THR HA 1 101 LYS H . . 4.660 4.388 4.118 4.727 0.067 12 0 "[ . 1 . 2]" 1 2457 1 97 THR HA 1 101 LYS QD . . 5.210 5.070 4.797 5.294 0.084 2 0 "[ . 1 . 2]" 1 2458 1 97 THR HA 1 101 LYS QE . . 4.400 4.475 4.410 4.504 0.104 6 0 "[ . 1 . 2]" 1 2459 1 97 THR HA 1 101 LYS HG2 . . 5.500 4.285 3.990 4.826 . 0 0 "[ . 1 . 2]" 1 2460 1 97 THR HB 1 98 GLN H . . 3.720 2.595 2.356 2.886 . 0 0 "[ . 1 . 2]" 1 2461 1 97 THR HB 1 100 GLN HG3 . . 5.380 5.379 5.086 5.962 0.582 17 1 "[ . 1 . + 2]" 1 2462 1 97 THR HB 1 101 LYS QD . . 5.190 4.999 4.665 5.280 0.090 13 0 "[ . 1 . 2]" 1 2463 1 97 THR HB 1 101 LYS HG2 . . 5.500 5.659 5.558 6.398 0.898 13 2 "[ . - + . 2]" 1 2464 1 97 THR MG 1 98 GLN H . . 4.660 2.977 2.778 3.175 . 0 0 "[ . 1 . 2]" 1 2465 1 97 THR MG 1 98 GLN HA . . 5.040 3.201 3.069 3.426 . 0 0 "[ . 1 . 2]" 1 2466 1 97 THR MG 1 98 GLN HB2 . . 5.040 4.034 3.757 4.212 . 0 0 "[ . 1 . 2]" 1 2467 1 97 THR MG 1 98 GLN HB3 . . 5.070 4.975 4.685 5.160 0.090 11 0 "[ . 1 . 2]" 1 2468 1 97 THR MG 1 99 TYR H . . 5.500 4.801 4.620 4.918 . 0 0 "[ . 1 . 2]" 1 2469 1 97 THR MG 1 100 GLN HB3 . . 5.500 5.481 5.100 5.596 0.096 14 0 "[ . 1 . 2]" 1 2470 1 97 THR MG 1 101 LYS QB . . 5.090 4.518 4.310 4.648 . 0 0 "[ . 1 . 2]" 1 2471 1 97 THR MG 1 101 LYS QD . . 4.070 2.610 2.334 3.017 . 0 0 "[ . 1 . 2]" 1 2472 1 97 THR MG 1 101 LYS QE . . 4.450 2.164 1.906 2.396 . 0 0 "[ . 1 . 2]" 1 2473 1 97 THR MG 1 101 LYS HG2 . . 3.030 3.162 3.074 3.631 0.601 10 2 "[ . + - . 2]" 1 2474 1 97 THR MG 1 101 LYS HG3 . . 3.680 3.260 2.850 3.657 . 0 0 "[ . 1 . 2]" 1 2475 1 98 GLN H 1 98 GLN HB2 . . 3.700 2.363 2.132 2.486 . 0 0 "[ . 1 . 2]" 1 2476 1 98 GLN H 1 98 GLN HB3 . . 3.860 2.740 2.619 2.956 . 0 0 "[ . 1 . 2]" 1 2477 1 98 GLN H 1 98 GLN HG3 . . 5.310 4.563 4.502 4.639 . 0 0 "[ . 1 . 2]" 1 2478 1 98 GLN H 1 99 TYR H . . 3.930 2.643 2.561 2.717 . 0 0 "[ . 1 . 2]" 1 2479 1 98 GLN H 1 100 GLN H . . 5.500 4.201 4.073 4.310 . 0 0 "[ . 1 . 2]" 1 2480 1 98 GLN HA 1 98 GLN QE . . 5.160 2.984 2.466 3.293 . 0 0 "[ . 1 . 2]" 1 2481 1 98 GLN HA 1 100 GLN H . . 5.430 4.387 4.141 4.547 . 0 0 "[ . 1 . 2]" 1 2482 1 98 GLN HA 1 101 LYS H . . 4.450 3.542 3.264 3.844 . 0 0 "[ . 1 . 2]" 1 2483 1 98 GLN HA 1 101 LYS QB . . 3.800 3.549 2.906 3.896 0.096 6 0 "[ . 1 . 2]" 1 2484 1 98 GLN HA 1 101 LYS QD . . 4.030 2.824 2.070 3.805 . 0 0 "[ . 1 . 2]" 1 2485 1 98 GLN HA 1 101 LYS QE . . 5.170 3.870 1.786 4.559 . 0 0 "[ . 1 . 2]" 1 2486 1 98 GLN HA 1 101 LYS HG3 . . 5.130 2.148 1.994 2.621 . 0 0 "[ . 1 . 2]" 1 2487 1 98 GLN HA 1 102 GLU H . . 5.450 3.953 3.745 4.161 . 0 0 "[ . 1 . 2]" 1 2488 1 98 GLN HB2 1 99 TYR H . . 4.640 3.615 3.313 3.786 . 0 0 "[ . 1 . 2]" 1 2489 1 98 GLN HB3 1 99 TYR H . . 4.210 2.484 2.248 2.677 . 0 0 "[ . 1 . 2]" 1 2490 1 98 GLN QE 1 99 TYR HA . . 5.370 5.007 4.496 5.259 . 0 0 "[ . 1 . 2]" 1 2491 1 98 GLN QE 1 101 LYS QB . . 5.440 2.967 2.226 3.439 . 0 0 "[ . 1 . 2]" 1 2492 1 98 GLN QE 1 101 LYS QD . . 4.650 3.329 2.538 4.262 . 0 0 "[ . 1 . 2]" 1 2493 1 98 GLN QE 1 101 LYS QE . . 5.500 4.684 2.328 5.292 . 0 0 "[ . 1 . 2]" 1 2494 1 98 GLN QE 1 102 GLU H . . 5.380 3.307 2.702 3.783 . 0 0 "[ . 1 . 2]" 1 2495 1 98 GLN QE 1 102 GLU HA . . 5.500 4.049 3.806 4.430 . 0 0 "[ . 1 . 2]" 1 2496 1 98 GLN QE 1 102 GLU HG2 . . 4.820 1.825 1.616 2.617 . 0 0 "[ . 1 . 2]" 1 2497 1 98 GLN QE 1 102 GLU HG3 . . 4.740 2.797 2.269 3.439 . 0 0 "[ . 1 . 2]" 1 2498 1 98 GLN HG3 1 102 GLU HG3 . . 5.500 3.324 2.126 5.383 . 0 0 "[ . 1 . 2]" 1 2499 1 99 TYR H 1 99 TYR HB2 . . 3.700 2.722 2.553 2.839 . 0 0 "[ . 1 . 2]" 1 2500 1 99 TYR H 1 99 TYR HB3 . . 3.360 2.626 2.483 2.737 . 0 0 "[ . 1 . 2]" 1 2501 1 99 TYR H 1 99 TYR QD . . 4.970 4.330 4.229 4.423 . 0 0 "[ . 1 . 2]" 1 2502 1 99 TYR H 1 100 GLN H . . 4.050 2.876 2.725 2.974 . 0 0 "[ . 1 . 2]" 1 2503 1 99 TYR H 1 102 GLU H . . 5.360 4.792 4.646 5.004 . 0 0 "[ . 1 . 2]" 1 2504 1 99 TYR HA 1 99 TYR QD . . 3.100 2.667 2.433 2.935 . 0 0 "[ . 1 . 2]" 1 2505 1 99 TYR HA 1 102 GLU H . . 4.860 3.599 3.240 3.970 . 0 0 "[ . 1 . 2]" 1 2506 1 99 TYR HA 1 102 GLU HB2 . . 5.470 2.638 2.145 3.228 . 0 0 "[ . 1 . 2]" 1 2507 1 99 TYR HA 1 102 GLU HB3 . . 4.520 4.066 3.645 4.575 0.055 4 0 "[ . 1 . 2]" 1 2508 1 99 TYR HA 1 102 GLU HG2 . . 5.500 4.620 3.931 5.515 0.015 20 0 "[ . 1 . 2]" 1 2509 1 99 TYR HA 1 102 GLU HG3 . . 5.500 4.147 3.442 5.168 . 0 0 "[ . 1 . 2]" 1 2510 1 99 TYR HA 1 103 SER H . . 5.110 3.762 3.401 3.993 . 0 0 "[ . 1 . 2]" 1 2511 1 99 TYR HB2 1 100 GLN H . . 4.010 4.018 3.923 4.077 0.067 13 0 "[ . 1 . 2]" 1 2512 1 99 TYR HB3 1 100 GLN H . . 4.920 2.716 2.536 2.850 . 0 0 "[ . 1 . 2]" 1 2513 1 99 TYR QD 1 100 GLN H . . 3.800 3.512 3.331 3.758 . 0 0 "[ . 1 . 2]" 1 2514 1 99 TYR QD 1 100 GLN HA . . 3.940 3.462 2.996 3.768 . 0 0 "[ . 1 . 2]" 1 2515 1 99 TYR QD 1 100 GLN HB2 . . 5.180 5.198 5.008 5.262 0.082 19 0 "[ . 1 . 2]" 1 2516 1 99 TYR QD 1 100 GLN HE21 . . 4.890 3.469 2.299 4.084 . 0 0 "[ . 1 . 2]" 1 2517 1 99 TYR QD 1 100 GLN HG2 . . 5.090 2.847 2.441 3.816 . 0 0 "[ . 1 . 2]" 1 2518 1 99 TYR QD 1 100 GLN HG3 . . 4.300 4.305 3.528 5.067 0.767 19 3 "[ * . 1 . - +2]" 1 2519 1 99 TYR QE 1 100 GLN HA . . 4.770 4.388 4.115 4.616 . 0 0 "[ . 1 . 2]" 1 2520 1 99 TYR QE 1 100 GLN HE21 . . 5.500 4.612 3.553 5.404 . 0 0 "[ . 1 . 2]" 1 2521 1 99 TYR QE 1 103 SER QB . . 4.240 3.580 2.946 4.063 . 0 0 "[ . 1 . 2]" 1 2522 1 100 GLN H 1 100 GLN HB2 . . 4.030 2.640 2.515 2.804 . 0 0 "[ . 1 . 2]" 1 2523 1 100 GLN H 1 100 GLN HB3 . . 4.160 3.627 3.596 3.674 . 0 0 "[ . 1 . 2]" 1 2524 1 100 GLN H 1 100 GLN HE21 . . 5.500 4.503 3.051 4.904 . 0 0 "[ . 1 . 2]" 1 2525 1 100 GLN H 1 100 GLN HG2 . . 3.730 2.432 1.991 2.875 . 0 0 "[ . 1 . 2]" 1 2526 1 100 GLN H 1 100 GLN HG3 . . 4.080 2.712 2.143 3.565 . 0 0 "[ . 1 . 2]" 1 2527 1 100 GLN H 1 101 LYS H . . 3.870 2.651 2.326 2.806 . 0 0 "[ . 1 . 2]" 1 2528 1 100 GLN H 1 101 LYS QD . . 5.500 5.575 5.532 5.597 0.097 9 0 "[ . 1 . 2]" 1 2529 1 100 GLN HA 1 100 GLN HG2 . . 4.120 2.666 2.422 3.230 . 0 0 "[ . 1 . 2]" 1 2530 1 100 GLN HA 1 100 GLN HG3 . . 3.870 3.714 3.348 3.954 0.084 2 0 "[ . 1 . 2]" 1 2531 1 100 GLN HA 1 101 LYS HA . . 4.730 4.736 4.559 4.795 0.065 2 0 "[ . 1 . 2]" 1 2532 1 100 GLN HA 1 101 LYS HG2 . . 5.500 5.378 5.005 5.531 0.031 10 0 "[ . 1 . 2]" 1 2533 1 100 GLN HA 1 103 SER H . . 4.680 3.631 3.032 4.030 . 0 0 "[ . 1 . 2]" 1 2534 1 100 GLN HA 1 103 SER QB . . 3.730 2.695 2.240 3.436 . 0 0 "[ . 1 . 2]" 1 2535 1 100 GLN HA 1 104 GLN H . . 5.420 4.581 3.932 5.380 . 0 0 "[ . 1 . 2]" 1 2536 1 100 GLN HB2 1 101 LYS H . . 3.990 2.790 2.420 3.430 . 0 0 "[ . 1 . 2]" 1 2537 1 100 GLN HB2 1 101 LYS HG3 . . 5.500 4.073 3.831 4.177 . 0 0 "[ . 1 . 2]" 1 2538 1 100 GLN HB2 1 102 GLU H . . 5.500 5.276 5.062 5.568 0.068 12 0 "[ . 1 . 2]" 1 2539 1 100 GLN HB3 1 101 LYS H . . 4.290 3.866 3.542 4.339 0.049 13 0 "[ . 1 . 2]" 1 2540 1 100 GLN HB3 1 101 LYS HG2 . . 5.430 4.638 4.423 5.083 . 0 0 "[ . 1 . 2]" 1 2541 1 100 GLN HB3 1 101 LYS HG3 . . 5.500 5.513 5.335 5.579 0.079 4 0 "[ . 1 . 2]" 1 2542 1 100 GLN HG2 1 101 LYS H . . 5.500 4.507 4.132 4.833 . 0 0 "[ . 1 . 2]" 1 2543 1 100 GLN HG3 1 101 LYS H . . 5.180 4.432 4.107 5.466 0.286 17 0 "[ . 1 . 2]" 1 2544 1 100 GLN HG3 1 101 LYS HG3 . . 5.500 5.587 5.085 6.390 0.890 17 2 "[ . 1 . + -2]" 1 2545 1 101 LYS H 1 101 LYS QB . . 3.270 2.921 2.714 3.026 . 0 0 "[ . 1 . 2]" 1 2546 1 101 LYS H 1 101 LYS QD . . 4.690 3.942 3.780 4.284 . 0 0 "[ . 1 . 2]" 1 2547 1 101 LYS H 1 101 LYS QE . . 5.390 4.316 3.796 4.818 . 0 0 "[ . 1 . 2]" 1 2548 1 101 LYS H 1 101 LYS HG2 . . 4.360 2.410 2.151 3.085 . 0 0 "[ . 1 . 2]" 1 2549 1 101 LYS H 1 101 LYS HG3 . . 4.030 2.139 1.990 2.357 . 0 0 "[ . 1 . 2]" 1 2550 1 101 LYS H 1 102 GLU H . . 3.660 2.588 2.089 2.817 . 0 0 "[ . 1 . 2]" 1 2551 1 101 LYS H 1 102 GLU HG2 . . 5.500 4.960 3.937 5.566 0.066 18 0 "[ . 1 . 2]" 1 2552 1 101 LYS H 1 103 SER H . . 5.500 3.845 3.397 4.149 . 0 0 "[ . 1 . 2]" 1 2553 1 101 LYS HA 1 101 LYS QD . . 4.230 4.214 3.995 4.329 0.099 3 0 "[ . 1 . 2]" 1 2554 1 101 LYS HA 1 101 LYS HG2 . . 3.970 3.067 2.659 3.386 . 0 0 "[ . 1 . 2]" 1 2555 1 101 LYS HA 1 104 GLN H . . 4.470 3.770 3.422 4.020 . 0 0 "[ . 1 . 2]" 1 2556 1 101 LYS HA 1 104 GLN QB . . 3.930 3.564 3.015 4.017 0.087 3 0 "[ . 1 . 2]" 1 2557 1 101 LYS QB 1 101 LYS QD . . 3.210 2.198 2.105 2.298 . 0 0 "[ . 1 . 2]" 1 2558 1 101 LYS QB 1 102 GLU H . . 4.180 2.633 2.342 2.838 . 0 0 "[ . 1 . 2]" 1 2559 1 101 LYS QB 1 102 GLU HG2 . . 5.500 3.543 2.711 4.177 . 0 0 "[ . 1 . 2]" 1 2560 1 101 LYS QB 1 102 GLU HG3 . . 5.500 5.065 4.302 5.562 0.062 18 0 "[ . 1 . 2]" 1 2561 1 101 LYS QD 1 102 GLU H . . 5.400 4.624 4.119 4.977 . 0 0 "[ . 1 . 2]" 1 2562 1 101 LYS HG2 1 102 GLU H . . 5.500 4.315 4.096 4.526 . 0 0 "[ . 1 . 2]" 1 2563 1 101 LYS HG3 1 102 GLU H . . 5.500 3.293 2.790 3.830 . 0 0 "[ . 1 . 2]" 1 2564 1 101 LYS HG3 1 102 GLU HG2 . . 5.500 4.704 3.997 5.523 0.023 15 0 "[ . 1 . 2]" 1 2565 1 102 GLU H 1 102 GLU HB2 . . 3.820 2.253 2.052 2.438 . 0 0 "[ . 1 . 2]" 1 2566 1 102 GLU H 1 102 GLU HB3 . . 3.670 3.510 3.374 3.602 . 0 0 "[ . 1 . 2]" 1 2567 1 102 GLU H 1 102 GLU HG2 . . 3.880 2.677 2.243 3.150 . 0 0 "[ . 1 . 2]" 1 2568 1 102 GLU H 1 102 GLU HG3 . . 4.250 3.702 3.392 4.059 . 0 0 "[ . 1 . 2]" 1 2569 1 102 GLU H 1 104 GLN H . . 5.160 4.501 3.903 4.773 . 0 0 "[ . 1 . 2]" 1 2570 1 102 GLU HA 1 102 GLU HG2 . . 4.050 2.722 2.468 3.100 . 0 0 "[ . 1 . 2]" 1 2571 1 102 GLU HA 1 105 ALA H . . 4.170 3.053 2.624 3.500 . 0 0 "[ . 1 . 2]" 1 2572 1 102 GLU HA 1 105 ALA MB . . 3.890 2.155 1.996 2.365 . 0 0 "[ . 1 . 2]" 1 2573 1 102 GLU HA 1 106 TYR QD . . 5.500 4.913 4.662 5.178 . 0 0 "[ . 1 . 2]" 1 2574 1 102 GLU HB2 1 103 SER H . . 4.390 2.898 2.527 3.429 . 0 0 "[ . 1 . 2]" 1 2575 1 102 GLU HB2 1 105 ALA MB . . 5.500 4.664 4.337 4.926 . 0 0 "[ . 1 . 2]" 1 2576 1 102 GLU HB3 1 103 SER H . . 4.130 3.529 3.015 3.831 . 0 0 "[ . 1 . 2]" 1 2577 1 102 GLU HB3 1 106 TYR QD . . 4.700 4.557 4.210 4.786 0.086 10 0 "[ . 1 . 2]" 1 2578 1 102 GLU HG2 1 103 SER H . . 5.240 4.720 4.375 4.985 . 0 0 "[ . 1 . 2]" 1 2579 1 102 GLU HG3 1 105 ALA MB . . 5.300 4.998 4.206 5.411 0.111 14 0 "[ . 1 . 2]" 1 2580 1 103 SER H 1 103 SER QB . . 3.790 2.293 2.090 2.624 . 0 0 "[ . 1 . 2]" 1 2581 1 103 SER H 1 104 GLN H . . 3.580 2.916 2.601 3.191 . 0 0 "[ . 1 . 2]" 1 2582 1 103 SER H 1 105 ALA MB . . 5.500 4.587 4.463 4.730 . 0 0 "[ . 1 . 2]" 1 2583 1 103 SER H 1 106 TYR H . . 4.870 4.941 4.916 4.952 0.082 12 0 "[ . 1 . 2]" 1 2584 1 103 SER HA 1 105 ALA H . . 4.500 4.025 3.769 4.273 . 0 0 "[ . 1 . 2]" 1 2585 1 103 SER HA 1 106 TYR H . . 4.380 3.930 3.750 4.095 . 0 0 "[ . 1 . 2]" 1 2586 1 103 SER HA 1 106 TYR HB3 . . 4.420 4.379 4.159 4.491 0.071 15 0 "[ . 1 . 2]" 1 2587 1 103 SER HA 1 106 TYR QD . . 4.020 2.209 2.048 2.502 . 0 0 "[ . 1 . 2]" 1 2588 1 103 SER HA 1 107 TYR H . . 5.180 4.361 3.698 5.198 0.018 13 0 "[ . 1 . 2]" 1 2589 1 103 SER HA 1 107 TYR HB3 . . 4.420 4.530 3.946 4.909 0.489 1 0 "[ . 1 . 2]" 1 2590 1 103 SER HA 1 107 TYR QD . . 5.400 5.056 4.540 5.495 0.095 9 0 "[ . 1 . 2]" 1 2591 1 103 SER QB 1 104 GLN H . . 4.310 2.890 2.242 3.742 . 0 0 "[ . 1 . 2]" 1 2592 1 103 SER QB 1 104 GLN HA . . 4.650 4.283 3.740 4.541 . 0 0 "[ . 1 . 2]" 1 2593 1 103 SER QB 1 104 GLN QB . . 5.160 3.884 3.478 4.479 . 0 0 "[ . 1 . 2]" 1 2594 1 103 SER QB 1 105 ALA H . . 5.500 4.565 4.251 4.990 . 0 0 "[ . 1 . 2]" 1 2595 1 103 SER QB 1 107 TYR QD . . 5.480 4.478 2.960 5.192 . 0 0 "[ . 1 . 2]" 1 2596 1 104 GLN H 1 104 GLN QB . . 3.030 2.173 2.060 2.397 . 0 0 "[ . 1 . 2]" 1 2597 1 104 GLN H 1 104 GLN HG3 . . 4.110 4.200 4.186 4.211 0.101 3 0 "[ . 1 . 2]" 1 2598 1 104 GLN H 1 105 ALA MB . . 5.410 4.140 3.666 4.622 . 0 0 "[ . 1 . 2]" 1 2599 1 104 GLN HA 1 104 GLN QE . . 5.500 3.998 2.419 4.332 . 0 0 "[ . 1 . 2]" 1 2600 1 104 GLN HA 1 104 GLN HG2 . . 3.950 3.628 3.162 3.904 . 0 0 "[ . 1 . 2]" 1 2601 1 104 GLN HA 1 104 GLN HG3 . . 3.800 2.629 2.075 3.232 . 0 0 "[ . 1 . 2]" 1 2602 1 104 GLN HA 1 105 ALA H . . 3.590 3.441 3.218 3.579 . 0 0 "[ . 1 . 2]" 1 2603 1 104 GLN HA 1 106 TYR H . . 4.690 4.662 4.407 4.770 0.080 6 0 "[ . 1 . 2]" 1 2604 1 104 GLN HA 1 106 TYR QD . . 4.620 4.479 3.971 4.722 0.102 14 0 "[ . 1 . 2]" 1 2605 1 104 GLN HA 1 106 TYR QE . . 5.380 5.089 4.504 5.448 0.068 15 0 "[ . 1 . 2]" 1 2606 1 104 GLN HA 1 107 TYR H . . 4.340 3.421 3.179 3.711 . 0 0 "[ . 1 . 2]" 1 2607 1 104 GLN HA 1 107 TYR HB2 . . 4.820 3.878 3.485 4.262 . 0 0 "[ . 1 . 2]" 1 2608 1 104 GLN HA 1 107 TYR HB3 . . 4.300 2.333 2.031 2.644 . 0 0 "[ . 1 . 2]" 1 2609 1 104 GLN HA 1 107 TYR QD . . 4.170 3.287 2.623 3.739 . 0 0 "[ . 1 . 2]" 1 2610 1 104 GLN HA 1 107 TYR QE . . 5.500 5.334 4.739 5.585 0.085 20 0 "[ . 1 . 2]" 1 2611 1 104 GLN HA 1 108 ASP HA . . 4.960 3.537 2.997 3.960 . 0 0 "[ . 1 . 2]" 1 2612 1 104 GLN HA 1 108 ASP QB . . 5.050 4.534 4.098 4.906 . 0 0 "[ . 1 . 2]" 1 2613 1 104 GLN QB 1 105 ALA H . . 3.470 3.266 3.009 3.547 0.077 20 0 "[ . 1 . 2]" 1 2614 1 104 GLN QB 1 105 ALA HA . . 4.640 4.391 4.107 4.683 0.043 2 0 "[ . 1 . 2]" 1 2615 1 104 GLN QB 1 105 ALA MB . . 5.040 4.242 3.990 4.603 . 0 0 "[ . 1 . 2]" 1 2616 1 104 GLN QB 1 107 TYR QD . . 5.030 4.500 4.063 4.922 . 0 0 "[ . 1 . 2]" 1 2617 1 104 GLN QB 1 109 GLY H . . 5.500 5.511 5.237 5.596 0.096 18 0 "[ . 1 . 2]" 1 2618 1 104 GLN QE 1 108 ASP H . . 5.500 4.463 3.753 5.020 . 0 0 "[ . 1 . 2]" 1 2619 1 104 GLN QE 1 108 ASP QB . . 5.310 4.479 3.303 5.226 . 0 0 "[ . 1 . 2]" 1 2620 1 104 GLN QE 1 109 GLY H . . 4.980 3.878 3.434 4.187 . 0 0 "[ . 1 . 2]" 1 2621 1 104 GLN QE 1 109 GLY QA . . 4.460 4.111 3.383 4.413 . 0 0 "[ . 1 . 2]" 1 2622 1 104 GLN HG2 1 105 ALA H . . 5.220 5.040 4.709 5.212 . 0 0 "[ . 1 . 2]" 1 2623 1 104 GLN HG2 1 105 ALA MB . . 5.450 5.515 5.265 5.568 0.118 14 0 "[ . 1 . 2]" 1 2624 1 104 GLN HG2 1 108 ASP QB . . 4.740 4.676 3.906 4.840 0.100 19 0 "[ . 1 . 2]" 1 2625 1 104 GLN HG3 1 107 TYR H . . 5.390 5.035 4.539 5.451 0.061 14 0 "[ . 1 . 2]" 1 2626 1 104 GLN HG3 1 108 ASP QB . . 4.310 3.738 3.348 4.382 0.072 1 0 "[ . 1 . 2]" 1 2627 1 105 ALA H 1 105 ALA MB . . 3.130 2.292 2.242 2.390 . 0 0 "[ . 1 . 2]" 1 2628 1 105 ALA H 1 106 TYR H . . 3.350 2.582 2.483 2.713 . 0 0 "[ . 1 . 2]" 1 2629 1 105 ALA H 1 106 TYR HB3 . . 5.500 4.535 4.359 4.674 . 0 0 "[ . 1 . 2]" 1 2630 1 105 ALA H 1 106 TYR QE . . 5.500 5.566 5.414 5.597 0.097 2 0 "[ . 1 . 2]" 1 2631 1 105 ALA H 1 107 TYR H . . 4.560 3.660 3.380 3.950 . 0 0 "[ . 1 . 2]" 1 2632 1 105 ALA H 1 107 TYR HB3 . . 5.490 4.658 4.407 4.861 . 0 0 "[ . 1 . 2]" 1 2633 1 105 ALA H 1 108 ASP QB . . 5.500 5.310 4.791 5.589 0.089 4 0 "[ . 1 . 2]" 1 2634 1 105 ALA HA 1 108 ASP H . . 4.610 4.163 3.904 4.400 . 0 0 "[ . 1 . 2]" 1 2635 1 105 ALA HA 1 108 ASP HA . . 5.180 4.967 4.636 5.249 0.069 17 0 "[ . 1 . 2]" 1 2636 1 105 ALA HA 1 108 ASP QB . . 3.880 3.592 2.888 3.967 0.087 16 0 "[ . 1 . 2]" 1 2637 1 105 ALA MB 1 106 TYR H . . 3.760 2.469 2.201 2.682 . 0 0 "[ . 1 . 2]" 1 2638 1 105 ALA MB 1 106 TYR HA . . 5.150 3.913 3.701 4.102 . 0 0 "[ . 1 . 2]" 1 2639 1 105 ALA MB 1 106 TYR HB2 . . 4.990 4.757 4.491 5.002 0.012 14 0 "[ . 1 . 2]" 1 2640 1 105 ALA MB 1 106 TYR HB3 . . 5.500 3.652 3.304 3.905 . 0 0 "[ . 1 . 2]" 1 2641 1 105 ALA MB 1 106 TYR QD . . 4.340 4.301 4.113 4.437 0.097 5 0 "[ . 1 . 2]" 1 2642 1 105 ALA MB 1 107 TYR H . . 5.500 4.308 4.107 4.616 . 0 0 "[ . 1 . 2]" 1 2643 1 105 ALA MB 1 108 ASP H . . 5.500 5.070 4.889 5.298 . 0 0 "[ . 1 . 2]" 1 2644 1 106 TYR H 1 106 TYR HB2 . . 3.280 3.369 3.360 3.377 0.097 1 0 "[ . 1 . 2]" 1 2645 1 106 TYR H 1 106 TYR HB3 . . 3.330 2.108 2.067 2.158 . 0 0 "[ . 1 . 2]" 1 2646 1 106 TYR H 1 106 TYR QD . . 3.510 2.388 2.262 2.476 . 0 0 "[ . 1 . 2]" 1 2647 1 106 TYR H 1 106 TYR QE . . 4.810 4.707 4.557 4.810 0.000 6 0 "[ . 1 . 2]" 1 2648 1 106 TYR H 1 107 TYR H . . 3.220 2.599 2.379 2.720 . 0 0 "[ . 1 . 2]" 1 2649 1 106 TYR H 1 107 TYR HB2 . . 5.500 4.722 4.406 5.058 . 0 0 "[ . 1 . 2]" 1 2650 1 106 TYR H 1 108 ASP H . . 4.520 4.493 4.289 4.595 0.075 5 0 "[ . 1 . 2]" 1 2651 1 106 TYR HA 1 106 TYR QD . . 3.740 3.698 3.593 3.750 0.010 1 0 "[ . 1 . 2]" 1 2652 1 106 TYR HB2 1 107 TYR H . . 4.320 4.289 4.038 4.405 0.085 10 0 "[ . 1 . 2]" 1 2653 1 106 TYR HB3 1 107 TYR H . . 4.110 3.833 3.584 4.115 0.005 13 0 "[ . 1 . 2]" 1 2654 1 106 TYR QD 1 107 TYR H . . 3.690 2.699 2.197 3.198 . 0 0 "[ . 1 . 2]" 1 2655 1 106 TYR QD 1 107 TYR HB2 . . 4.060 3.206 2.685 3.494 . 0 0 "[ . 1 . 2]" 1 2656 1 106 TYR QD 1 108 ASP H . . 5.130 4.788 4.545 5.003 . 0 0 "[ . 1 . 2]" 1 2657 1 106 TYR QE 1 107 TYR H . . 4.700 4.166 3.590 4.775 0.075 13 0 "[ . 1 . 2]" 1 2658 1 106 TYR QE 1 107 TYR HB2 . . 4.200 2.833 2.432 3.157 . 0 0 "[ . 1 . 2]" 1 2659 1 106 TYR QE 1 107 TYR HB3 . . 4.100 3.974 3.552 4.281 0.181 20 0 "[ . 1 . 2]" 1 2660 1 107 TYR H 1 107 TYR HB2 . . 3.570 2.730 2.443 3.117 . 0 0 "[ . 1 . 2]" 1 2661 1 107 TYR H 1 107 TYR HB3 . . 3.040 2.419 2.295 2.550 . 0 0 "[ . 1 . 2]" 1 2662 1 107 TYR H 1 107 TYR QD . . 4.280 4.241 4.140 4.354 0.074 10 0 "[ . 1 . 2]" 1 2663 1 107 TYR H 1 108 ASP H . . 3.150 2.457 2.081 2.796 . 0 0 "[ . 1 . 2]" 1 2664 1 107 TYR H 1 108 ASP HA . . 5.500 4.649 4.163 5.022 . 0 0 "[ . 1 . 2]" 1 2665 1 107 TYR H 1 108 ASP QB . . 5.310 4.228 3.563 4.910 . 0 0 "[ . 1 . 2]" 1 2666 1 107 TYR HA 1 107 TYR QD . . 2.870 2.264 2.160 2.378 . 0 0 "[ . 1 . 2]" 1 2667 1 107 TYR HA 1 107 TYR QE . . 4.490 4.565 4.508 4.585 0.095 14 0 "[ . 1 . 2]" 1 2668 1 107 TYR HA 1 108 ASP H . . 3.640 3.593 3.472 3.687 0.047 3 0 "[ . 1 . 2]" 1 2669 1 107 TYR HA 1 109 GLY H . . 4.520 4.064 3.741 4.466 . 0 0 "[ . 1 . 2]" 1 2670 1 107 TYR HA 1 110 ARG QB . . 5.500 4.342 3.928 4.722 . 0 0 "[ . 1 . 2]" 1 2671 1 107 TYR HA 1 111 ARG HD2 . . 5.410 3.850 3.101 4.826 . 0 0 "[ . 1 . 2]" 1 2672 1 107 TYR HA 1 111 ARG HG3 . . 5.260 4.898 3.940 5.343 0.083 3 0 "[ . 1 . 2]" 1 2673 1 107 TYR HB2 1 108 ASP H . . 4.040 3.704 3.596 3.832 . 0 0 "[ . 1 . 2]" 1 2674 1 107 TYR HB2 1 108 ASP HA . . 5.500 5.580 5.350 5.787 0.287 3 0 "[ . 1 . 2]" 1 2675 1 107 TYR HB2 1 109 GLY QA . . 5.300 5.444 5.171 5.589 0.289 17 0 "[ . 1 . 2]" 1 2676 1 107 TYR HB3 1 108 ASP H . . 3.960 2.263 2.114 2.443 . 0 0 "[ . 1 . 2]" 1 2677 1 107 TYR HB3 1 109 GLY H . . 5.500 3.188 2.845 3.531 . 0 0 "[ . 1 . 2]" 1 2678 1 107 TYR HB3 1 109 GLY QA . . 5.500 4.779 4.438 5.017 . 0 0 "[ . 1 . 2]" 1 2679 1 107 TYR HB3 1 110 ARG H . . 5.500 5.011 4.832 5.278 . 0 0 "[ . 1 . 2]" 1 2680 1 107 TYR QD 1 108 ASP H . . 4.890 3.904 3.682 4.102 . 0 0 "[ . 1 . 2]" 1 2681 1 107 TYR QD 1 109 GLY QA . . 5.420 3.328 2.916 3.645 . 0 0 "[ . 1 . 2]" 1 2682 1 107 TYR QD 1 110 ARG QB . . 4.650 4.325 4.122 4.559 . 0 0 "[ . 1 . 2]" 1 2683 1 107 TYR QD 1 111 ARG QB . . 5.090 3.986 2.371 4.675 . 0 0 "[ . 1 . 2]" 1 2684 1 107 TYR QD 1 111 ARG HD3 . . 4.550 2.301 1.948 3.183 . 0 0 "[ . 1 . 2]" 1 2685 1 107 TYR QD 1 111 ARG HG3 . . 4.960 4.087 3.008 5.014 0.054 20 0 "[ . 1 . 2]" 1 2686 1 107 TYR QE 1 109 GLY H . . 4.590 3.780 3.561 3.953 . 0 0 "[ . 1 . 2]" 1 2687 1 107 TYR QE 1 109 GLY QA . . 5.050 2.793 2.324 3.118 . 0 0 "[ . 1 . 2]" 1 2688 1 107 TYR QE 1 111 ARG HD2 . . 5.500 4.730 3.134 5.574 0.074 13 0 "[ . 1 . 2]" 1 2689 1 107 TYR QE 1 111 ARG HD3 . . 5.270 3.517 2.182 4.415 . 0 0 "[ . 1 . 2]" 1 2690 1 108 ASP H 1 108 ASP QB . . 3.090 2.673 2.517 2.785 . 0 0 "[ . 1 . 2]" 1 2691 1 108 ASP H 1 109 GLY H . . 3.440 2.983 2.852 3.182 . 0 0 "[ . 1 . 2]" 1 2692 1 108 ASP H 1 109 GLY QA . . 5.250 4.812 4.704 4.988 . 0 0 "[ . 1 . 2]" 1 2693 1 108 ASP H 1 110 ARG H . . 4.760 4.335 4.220 4.468 . 0 0 "[ . 1 . 2]" 1 2694 1 108 ASP HA 1 109 GLY H . . 3.500 2.772 2.461 3.043 . 0 0 "[ . 1 . 2]" 1 2695 1 108 ASP HA 1 110 ARG H . . 5.110 4.279 4.016 4.611 . 0 0 "[ . 1 . 2]" 1 2696 1 108 ASP QB 1 109 GLY H . . 3.860 3.914 3.801 3.955 0.095 15 0 "[ . 1 . 2]" 1 2697 1 108 ASP QB 1 109 GLY QA . . 5.440 4.668 4.563 4.834 . 0 0 "[ . 1 . 2]" 1 2698 1 108 ASP QB 1 110 ARG H . . 4.810 3.658 3.138 4.252 . 0 0 "[ . 1 . 2]" 1 2699 1 108 ASP QB 1 110 ARG HA . . 4.920 4.864 4.430 5.029 0.109 15 0 "[ . 1 . 2]" 1 2700 1 108 ASP QB 1 110 ARG QG . . 4.990 3.530 2.180 5.079 0.089 4 0 "[ . 1 . 2]" 1 2701 1 109 GLY H 1 111 ARG H . . 5.170 4.890 4.426 5.208 0.038 12 0 "[ . 1 . 2]" 1 2702 1 109 GLY QA 1 110 ARG H . . 3.560 2.922 2.716 3.034 . 0 0 "[ . 1 . 2]" 1 2703 1 109 GLY QA 1 110 ARG HA . . 4.280 4.011 3.837 4.174 . 0 0 "[ . 1 . 2]" 1 2704 1 109 GLY QA 1 110 ARG QG . . 5.020 4.901 4.448 5.128 0.108 7 0 "[ . 1 . 2]" 1 2705 1 109 GLY QA 1 111 ARG H . . 5.440 3.429 3.009 3.635 . 0 0 "[ . 1 . 2]" 1 2706 1 109 GLY QA 1 111 ARG HD3 . . 4.660 4.451 3.764 4.756 0.096 1 0 "[ . 1 . 2]" 1 2707 1 109 GLY QA 1 113 SER HA . . 5.500 4.476 2.640 5.603 0.103 15 0 "[ . 1 . 2]" 1 2708 1 110 ARG H 1 110 ARG QB . . 3.390 2.072 1.877 2.406 . 0 0 "[ . 1 . 2]" 1 2709 1 110 ARG H 1 110 ARG HE . . 5.300 4.788 4.361 5.124 . 0 0 "[ . 1 . 2]" 1 2710 1 110 ARG H 1 110 ARG QG . . 3.670 3.280 2.357 3.761 0.091 12 0 "[ . 1 . 2]" 1 2711 1 110 ARG H 1 111 ARG H . . 3.720 3.008 2.492 3.434 . 0 0 "[ . 1 . 2]" 1 2712 1 110 ARG H 1 111 ARG HD2 . . 5.130 3.382 2.605 4.507 . 0 0 "[ . 1 . 2]" 1 2713 1 110 ARG H 1 111 ARG HG2 . . 5.500 4.779 3.372 5.590 0.090 4 0 "[ . 1 . 2]" 1 2714 1 110 ARG HA 1 110 ARG QD . . 4.790 3.700 2.451 4.429 . 0 0 "[ . 1 . 2]" 1 2715 1 110 ARG HA 1 110 ARG HE . . 5.500 4.008 2.043 5.594 0.094 20 0 "[ . 1 . 2]" 1 2716 1 110 ARG HA 1 110 ARG QG . . 3.710 2.457 2.097 3.564 . 0 0 "[ . 1 . 2]" 1 2717 1 110 ARG HA 1 111 ARG H . . 3.260 3.112 2.856 3.305 0.045 13 0 "[ . 1 . 2]" 1 2718 1 110 ARG HA 1 111 ARG HD2 . . 4.830 4.385 3.762 4.916 0.086 6 0 "[ . 1 . 2]" 1 2719 1 110 ARG HA 1 111 ARG HD3 . . 5.410 4.704 4.011 5.467 0.057 3 0 "[ . 1 . 2]" 1 2720 1 110 ARG QB 1 111 ARG H . . 4.890 3.729 3.441 4.130 . 0 0 "[ . 1 . 2]" 1 2721 1 110 ARG QB 1 111 ARG HD2 . . 4.110 2.650 2.019 3.737 . 0 0 "[ . 1 . 2]" 1 2722 1 110 ARG HE 1 111 ARG QB . . 5.500 5.078 4.451 5.407 . 0 0 "[ . 1 . 2]" 1 2723 1 110 ARG HE 1 111 ARG HD2 . . 5.190 3.795 2.999 4.902 . 0 0 "[ . 1 . 2]" 1 2724 1 110 ARG HE 1 111 ARG HD3 . . 4.610 4.751 4.466 5.267 0.657 8 3 "[ . + 1 .* - 2]" 1 2725 1 110 ARG QG 1 111 ARG H . . 5.360 4.508 3.300 4.917 . 0 0 "[ . 1 . 2]" 1 2726 1 111 ARG H 1 111 ARG QB . . 3.840 3.025 2.580 3.441 . 0 0 "[ . 1 . 2]" 1 2727 1 111 ARG H 1 111 ARG HD2 . . 5.500 3.418 2.347 4.379 . 0 0 "[ . 1 . 2]" 1 2728 1 111 ARG H 1 111 ARG HD3 . . 4.880 3.128 2.599 4.144 . 0 0 "[ . 1 . 2]" 1 2729 1 111 ARG H 1 111 ARG HG2 . . 4.960 3.588 2.245 4.826 . 0 0 "[ . 1 . 2]" 1 2730 1 111 ARG H 1 111 ARG HG3 . . 4.020 3.918 3.464 4.419 0.399 13 0 "[ . 1 . 2]" 1 2731 1 111 ARG H 1 112 SER H . . 3.150 2.264 1.645 3.208 0.058 7 0 "[ . 1 . 2]" 1 2732 1 111 ARG H 1 112 SER HA . . 5.220 4.589 3.799 5.013 . 0 0 "[ . 1 . 2]" 1 2733 1 111 ARG H 1 112 SER QB . . 4.510 3.866 3.324 4.450 . 0 0 "[ . 1 . 2]" 1 2734 1 111 ARG H 1 113 SER H . . 3.940 3.620 2.464 4.019 0.079 14 0 "[ . 1 . 2]" 1 2735 1 111 ARG HA 1 111 ARG HD3 . . 4.170 4.341 3.870 5.056 0.886 7 5 "[ * . +* 1 .- * 2]" 1 2736 1 111 ARG HA 1 111 ARG HG3 . . 3.910 3.413 2.398 4.317 0.407 7 0 "[ . 1 . 2]" 1 2737 1 111 ARG HA 1 112 SER H . . 3.130 2.924 2.249 3.217 0.087 3 0 "[ . 1 . 2]" 1 2738 1 111 ARG QB 1 112 SER H . . 4.710 3.794 3.374 4.060 . 0 0 "[ . 1 . 2]" 1 2739 1 111 ARG QB 1 112 SER QB . . 4.720 4.090 3.464 4.476 . 0 0 "[ . 1 . 2]" 1 2740 1 111 ARG HG3 1 112 SER H . . 5.100 5.210 4.764 5.876 0.776 10 4 "[ - . * + * . 2]" 1 2741 1 112 SER H 1 112 SER QB . . 3.890 3.035 2.585 3.481 . 0 0 "[ . 1 . 2]" 1 2742 1 112 SER H 1 113 SER H . . 4.120 2.581 1.726 3.206 . 0 0 "[ . 1 . 2]" 1 2743 1 112 SER H 1 113 SER HA . . 4.690 4.239 3.530 4.766 0.076 16 0 "[ . 1 . 2]" 1 2744 1 112 SER HA 1 113 SER QB . . 4.890 4.665 4.031 4.980 0.090 15 0 "[ . 1 . 2]" 1 2745 1 112 SER QB 1 113 SER H . . 4.260 2.732 1.952 3.875 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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