NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
629402 | 6emo | 34179 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6emo 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 2839 _Distance_constraint_stats_list.Viol_count 5858 _Distance_constraint_stats_list.Viol_total 8033.295 _Distance_constraint_stats_list.Viol_max 0.498 _Distance_constraint_stats_list.Viol_rms 0.0141 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0343 _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 4 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 6 TRP 0.301 0.043 21 0 "[ . 1 . 2 . 3 . 4]" 1 7 GLU 0.301 0.043 21 0 "[ . 1 . 2 . 3 . 4]" 1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 10 MET 2.739 0.212 8 0 "[ . 1 . 2 . 3 . 4]" 1 11 ASP 0.235 0.088 25 0 "[ . 1 . 2 . 3 . 4]" 1 12 SER 0.248 0.088 25 0 "[ . 1 . 2 . 3 . 4]" 1 13 ARG 0.603 0.082 16 0 "[ . 1 . 2 . 3 . 4]" 1 14 LEU 11.011 0.240 36 0 "[ . 1 . 2 . 3 . 4]" 1 15 GLN 1.563 0.068 39 0 "[ . 1 . 2 . 3 . 4]" 1 16 ARG 0.209 0.068 39 0 "[ . 1 . 2 . 3 . 4]" 1 17 ILE 1.181 0.150 36 0 "[ . 1 . 2 . 3 . 4]" 1 18 HIS 1.135 0.050 9 0 "[ . 1 . 2 . 3 . 4]" 1 19 ALA 0.536 0.072 17 0 "[ . 1 . 2 . 3 . 4]" 1 20 GLU 1.283 0.090 37 0 "[ . 1 . 2 . 3 . 4]" 1 21 ILE 4.096 0.076 39 0 "[ . 1 . 2 . 3 . 4]" 1 22 LYS 1.323 0.062 3 0 "[ . 1 . 2 . 3 . 4]" 1 23 ASN 1.057 0.072 17 0 "[ . 1 . 2 . 3 . 4]" 1 24 SER 0.152 0.028 35 0 "[ . 1 . 2 . 3 . 4]" 1 25 LEU 6.998 0.117 32 0 "[ . 1 . 2 . 3 . 4]" 1 26 LYS 3.633 0.089 31 0 "[ . 1 . 2 . 3 . 4]" 1 27 ILE 7.708 0.297 39 0 "[ . 1 . 2 . 3 . 4]" 1 28 ASP 0.056 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 1 29 ASN 0.957 0.110 16 0 "[ . 1 . 2 . 3 . 4]" 1 30 LEU 5.430 0.132 19 0 "[ . 1 . 2 . 3 . 4]" 1 31 ASP 0.210 0.014 30 0 "[ . 1 . 2 . 3 . 4]" 1 32 VAL 8.078 0.169 30 0 "[ . 1 . 2 . 3 . 4]" 1 33 ASN 0.551 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 34 ARG 0.271 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 35 CYS 0.011 0.007 33 0 "[ . 1 . 2 . 3 . 4]" 1 36 ILE 6.319 0.169 30 0 "[ . 1 . 2 . 3 . 4]" 1 37 GLU 0.366 0.105 12 0 "[ . 1 . 2 . 3 . 4]" 1 38 ALA 3.358 0.111 10 0 "[ . 1 . 2 . 3 . 4]" 1 39 LEU 4.712 0.111 10 0 "[ . 1 . 2 . 3 . 4]" 1 40 ASP 0.921 0.042 3 0 "[ . 1 . 2 . 3 . 4]" 1 41 GLU 3.120 0.150 36 0 "[ . 1 . 2 . 3 . 4]" 1 42 LEU 4.950 0.228 39 0 "[ . 1 . 2 . 3 . 4]" 1 43 ALA 1.181 0.045 4 0 "[ . 1 . 2 . 3 . 4]" 1 44 SER 0.242 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1 45 LEU 2.648 0.086 28 0 "[ . 1 . 2 . 3 . 4]" 1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 47 VAL 5.441 0.239 37 0 "[ . 1 . 2 . 3 . 4]" 1 48 THR 15.154 0.423 6 0 "[ . 1 . 2 . 3 . 4]" 1 49 MET 15.031 0.423 6 0 "[ . 1 . 2 . 3 . 4]" 1 50 GLN 1.250 0.053 21 0 "[ . 1 . 2 . 3 . 4]" 1 51 GLN 3.646 0.166 18 0 "[ . 1 . 2 . 3 . 4]" 1 52 ALA 0.809 0.057 7 0 "[ . 1 . 2 . 3 . 4]" 1 53 GLN 2.389 0.097 1 0 "[ . 1 . 2 . 3 . 4]" 1 54 LYS 1.259 0.069 1 0 "[ . 1 . 2 . 3 . 4]" 1 55 HIS 0.443 0.029 39 0 "[ . 1 . 2 . 3 . 4]" 1 56 THR 1.801 0.070 9 0 "[ . 1 . 2 . 3 . 4]" 1 57 GLU 0.799 0.070 9 0 "[ . 1 . 2 . 3 . 4]" 1 58 MET 12.938 0.240 36 0 "[ . 1 . 2 . 3 . 4]" 1 59 ILE 4.012 0.152 17 0 "[ . 1 . 2 . 3 . 4]" 1 60 THR 0.923 0.073 3 0 "[ . 1 . 2 . 3 . 4]" 1 61 THR 1.340 0.113 19 0 "[ . 1 . 2 . 3 . 4]" 1 62 LEU 1.599 0.101 4 0 "[ . 1 . 2 . 3 . 4]" 1 63 LYS 0.025 0.010 19 0 "[ . 1 . 2 . 3 . 4]" 1 64 LYS 2.854 0.113 19 0 "[ . 1 . 2 . 3 . 4]" 1 65 ILE 3.352 0.143 4 0 "[ . 1 . 2 . 3 . 4]" 1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 67 ARG 0.951 0.107 38 0 "[ . 1 . 2 . 3 . 4]" 1 68 PHE 3.468 0.060 37 0 "[ . 1 . 2 . 3 . 4]" 1 69 LYS 4.278 0.203 39 0 "[ . 1 . 2 . 3 . 4]" 1 70 VAL 7.477 0.132 19 0 "[ . 1 . 2 . 3 . 4]" 1 71 SER 4.165 0.088 10 0 "[ . 1 . 2 . 3 . 4]" 1 72 GLN 0.063 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 73 VAL 2.562 0.059 20 0 "[ . 1 . 2 . 3 . 4]" 1 74 ILE 4.944 0.143 4 0 "[ . 1 . 2 . 3 . 4]" 1 75 MET 2.467 0.203 39 0 "[ . 1 . 2 . 3 . 4]" 1 76 GLU 2.454 0.142 20 0 "[ . 1 . 2 . 3 . 4]" 1 77 LYS 2.193 0.049 37 0 "[ . 1 . 2 . 3 . 4]" 1 78 SER 0.090 0.026 36 0 "[ . 1 . 2 . 3 . 4]" 1 79 THR 0.147 0.047 31 0 "[ . 1 . 2 . 3 . 4]" 1 80 MET 0.567 0.069 31 0 "[ . 1 . 2 . 3 . 4]" 1 81 LEU 3.014 0.228 39 0 "[ . 1 . 2 . 3 . 4]" 1 82 TYR 1.629 0.089 13 0 "[ . 1 . 2 . 3 . 4]" 1 83 ASN 1.057 0.069 31 0 "[ . 1 . 2 . 3 . 4]" 1 84 LYS 1.814 0.097 3 0 "[ . 1 . 2 . 3 . 4]" 1 85 PHE 1.344 0.099 13 0 "[ . 1 . 2 . 3 . 4]" 1 86 LYS 1.050 0.079 1 0 "[ . 1 . 2 . 3 . 4]" 1 87 ASN 10.779 0.381 10 0 "[ . 1 . 2 . 3 . 4]" 1 88 MET 9.539 0.276 9 0 "[ . 1 . 2 . 3 . 4]" 1 89 PHE 3.363 0.107 29 0 "[ . 1 . 2 . 3 . 4]" 1 90 LEU 19.462 0.498 1 0 "[ . 1 . 2 . 3 . 4]" 1 91 VAL 25.331 0.381 10 0 "[ . 1 . 2 . 3 . 4]" 1 92 GLY 7.737 0.267 3 0 "[ . 1 . 2 . 3 . 4]" 1 93 GLU 1.392 0.258 35 0 "[ . 1 . 2 . 3 . 4]" 1 94 GLY 0.009 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1 95 ASP 0.633 0.172 6 0 "[ . 1 . 2 . 3 . 4]" 1 96 SER 1.067 0.116 21 0 "[ . 1 . 2 . 3 . 4]" 1 97 VAL 3.092 0.172 6 0 "[ . 1 . 2 . 3 . 4]" 1 98 ILE 2.802 0.167 35 0 "[ . 1 . 2 . 3 . 4]" 1 99 THR 1.115 0.210 21 0 "[ . 1 . 2 . 3 . 4]" 1 100 GLN 4.282 0.494 25 0 "[ . 1 . 2 . 3 . 4]" 1 101 VAL 3.724 0.494 25 0 "[ . 1 . 2 . 3 . 4]" 1 102 LEU 0.336 0.039 11 0 "[ . 1 . 2 . 3 . 4]" 1 103 ASN 0.254 0.039 11 0 "[ . 1 . 2 . 3 . 4]" 1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 106 GLU 0.171 0.071 32 0 "[ . 1 . 2 . 3 . 4]" 1 107 LEU 3.527 0.315 40 0 "[ . 1 . 2 . 3 . 4]" 1 108 ALA 2.532 0.315 40 0 "[ . 1 . 2 . 3 . 4]" 1 109 THR 1.094 0.070 11 0 "[ . 1 . 2 . 3 . 4]" 1 110 ARG 1.022 0.088 10 0 "[ . 1 . 2 . 3 . 4]" 1 111 TYR 18.024 0.498 1 0 "[ . 1 . 2 . 3 . 4]" 1 112 GLN 1.175 0.087 3 0 "[ . 1 . 2 . 3 . 4]" 1 113 ILE 4.711 0.104 24 0 "[ . 1 . 2 . 3 . 4]" 1 114 PRO 2.035 0.036 37 0 "[ . 1 . 2 . 3 . 4]" 1 115 LYS 0.955 0.070 1 0 "[ . 1 . 2 . 3 . 4]" 1 116 GLU 2.193 0.237 24 0 "[ . 1 . 2 . 3 . 4]" 1 117 VAL 1.175 0.237 24 0 "[ . 1 . 2 . 3 . 4]" 1 118 ALA 0.812 0.043 4 0 "[ . 1 . 2 . 3 . 4]" 1 119 ASP 0.481 0.049 27 0 "[ . 1 . 2 . 3 . 4]" 1 120 ILE 0.755 0.062 5 0 "[ . 1 . 2 . 3 . 4]" 1 121 PHE 2.455 0.107 4 0 "[ . 1 . 2 . 3 . 4]" 1 122 ASN 0.635 0.043 4 0 "[ . 1 . 2 . 3 . 4]" 1 123 ALA 0.995 0.088 35 0 "[ . 1 . 2 . 3 . 4]" 1 124 PRO 0.563 0.088 35 0 "[ . 1 . 2 . 3 . 4]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 126 ASP 0.365 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 1 127 ASP 0.786 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 1 128 GLU 2.465 0.081 13 0 "[ . 1 . 2 . 3 . 4]" 1 129 GLU 2.985 0.083 39 0 "[ . 1 . 2 . 3 . 4]" 1 130 PHE 7.791 0.296 32 0 "[ . 1 . 2 . 3 . 4]" 1 131 VAL 12.809 0.296 32 0 "[ . 1 . 2 . 3 . 4]" 1 132 GLY 2.607 0.082 39 0 "[ . 1 . 2 . 3 . 4]" 1 133 PHE 3.544 0.081 1 0 "[ . 1 . 2 . 3 . 4]" 1 134 ARG 1.247 0.297 39 0 "[ . 1 . 2 . 3 . 4]" 1 135 ASP 0.122 0.028 19 0 "[ . 1 . 2 . 3 . 4]" 1 136 ASP 0.106 0.020 32 0 "[ . 1 . 2 . 3 . 4]" 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 4 ALA H 1 4 ALA MB 3.660 . 3.660 2.509 2.191 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2 1 6 TRP H 1 6 TRP QB 3.770 . 3.770 2.666 2.199 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 3 1 6 TRP H 1 7 GLU H 4.410 . 4.410 3.567 1.900 4.451 0.041 33 0 "[ . 1 . 2 . 3 . 4]" 1 4 1 6 TRP QB 1 7 GLU H 3.660 . 3.660 2.681 1.797 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 5 1 6 TRP HD1 1 7 GLU H 5.210 . 5.210 4.425 2.683 5.253 0.043 21 0 "[ . 1 . 2 . 3 . 4]" 1 6 1 6 TRP HE3 1 7 GLU H 4.700 . 4.700 3.679 1.714 4.717 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1 7 1 6 TRP HE3 1 7 GLU QG 5.100 . 5.100 3.995 2.241 5.115 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1 8 1 7 GLU H 1 7 GLU HB2 3.940 . 3.940 2.794 2.343 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 9 1 7 GLU H 1 7 GLU QB 3.180 . 3.180 2.490 2.143 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 10 1 7 GLU H 1 7 GLU HB3 3.940 . 3.940 3.268 2.439 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 11 1 7 GLU H 1 7 GLU QG 4.270 . 4.270 2.273 1.763 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 12 1 7 GLU H 1 8 THR H 4.810 . 4.810 2.769 2.464 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 13 1 7 GLU HA 1 7 GLU QG 3.810 . 3.810 2.829 2.329 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 14 1 7 GLU HB2 1 8 THR H 4.580 . 4.580 3.110 2.195 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 15 1 7 GLU HB3 1 8 THR H 4.580 . 4.580 3.783 2.108 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 16 1 8 THR H 1 8 THR MG 4.030 . 4.030 2.577 2.043 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 17 1 10 MET HA 1 10 MET ME 4.810 . 4.810 4.513 3.764 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 18 1 10 MET HA 1 13 ARG H 3.960 . 3.960 3.155 2.958 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 19 1 10 MET HA 1 13 ARG QB 4.310 . 4.310 2.843 2.469 3.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 20 1 10 MET HA 1 14 LEU H 4.630 . 4.630 4.286 3.977 4.631 0.001 6 0 "[ . 1 . 2 . 3 . 4]" 1 21 1 10 MET QB 1 11 ASP H 3.790 . 3.790 2.744 2.429 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 22 1 10 MET QB 1 12 SER H 5.340 . 5.340 4.770 4.625 4.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 23 1 10 MET QB 1 14 LEU QD 4.380 . 4.380 3.854 3.159 4.410 0.030 40 0 "[ . 1 . 2 . 3 . 4]" 1 24 1 10 MET HB2 1 11 ASP H 4.430 . 4.430 3.919 3.639 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 25 1 10 MET HB3 1 11 ASP H 4.430 . 4.430 2.806 2.458 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 26 1 10 MET ME 1 10 MET QG 3.120 . 3.120 2.218 2.102 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 27 1 10 MET ME 1 13 ARG QD 4.670 . 4.670 4.553 4.075 4.752 0.082 16 0 "[ . 1 . 2 . 3 . 4]" 1 28 1 10 MET ME 1 14 LEU MD1 3.730 . 3.730 3.007 2.269 3.882 0.152 8 0 "[ . 1 . 2 . 3 . 4]" 1 29 1 10 MET ME 1 14 LEU MD2 3.730 . 3.730 3.536 2.883 3.942 0.212 8 0 "[ . 1 . 2 . 3 . 4]" 1 30 1 10 MET ME 1 45 LEU HA 5.010 . 5.010 3.478 2.979 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 31 1 10 MET ME 1 45 LEU QB 3.460 . 3.460 2.337 2.061 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 32 1 10 MET ME 1 45 LEU QD 2.980 . 2.980 2.304 2.062 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 33 1 10 MET ME 1 46 GLN H 4.800 . 4.800 3.318 2.584 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 34 1 10 MET ME 1 47 VAL H 4.590 . 4.590 3.456 3.085 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 35 1 10 MET ME 1 47 VAL HA 3.270 . 3.270 2.183 1.995 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 36 1 10 MET ME 1 47 VAL MG1 3.480 . 3.480 3.073 2.550 3.587 0.107 37 0 "[ . 1 . 2 . 3 . 4]" 1 37 1 10 MET ME 1 47 VAL QG 3.020 . 3.020 2.334 2.028 3.091 0.071 26 0 "[ . 1 . 2 . 3 . 4]" 1 38 1 10 MET ME 1 47 VAL MG2 3.480 . 3.480 2.438 2.067 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 39 1 10 MET ME 1 48 THR H 4.220 . 4.220 3.631 3.239 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 40 1 10 MET ME 1 51 GLN QB 4.300 . 4.300 3.866 3.082 4.313 0.013 19 0 "[ . 1 . 2 . 3 . 4]" 1 41 1 10 MET ME 1 51 GLN HE21 4.010 . 4.010 2.767 2.052 4.052 0.042 31 0 "[ . 1 . 2 . 3 . 4]" 1 42 1 10 MET ME 1 51 GLN QE 3.480 . 3.480 2.648 2.039 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 43 1 10 MET ME 1 51 GLN HE22 4.010 . 4.010 3.860 2.633 4.059 0.049 23 0 "[ . 1 . 2 . 3 . 4]" 1 44 1 10 MET QG 1 14 LEU QD 3.200 . 3.200 2.685 2.184 3.291 0.091 38 0 "[ . 1 . 2 . 3 . 4]" 1 45 1 10 MET QG 1 14 LEU HG 4.470 . 4.470 3.229 2.135 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 46 1 10 MET QG 1 47 VAL QG 4.210 . 4.210 3.604 2.738 4.280 0.070 7 0 "[ . 1 . 2 . 3 . 4]" 1 47 1 10 MET QG 1 51 GLN QE 4.460 . 4.460 3.039 2.235 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 48 1 10 MET HG2 1 14 LEU MD1 5.500 . 5.500 2.923 2.323 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 49 1 10 MET HG2 1 14 LEU MD2 5.500 . 5.500 4.153 3.030 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 50 1 10 MET HG2 1 47 VAL MG1 6.610 . 6.610 4.562 3.163 5.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 51 1 10 MET HG2 1 47 VAL MG2 6.610 . 6.610 4.149 3.432 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 52 1 10 MET HG3 1 14 LEU MD1 5.500 . 5.500 3.996 2.245 5.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 53 1 10 MET HG3 1 14 LEU MD2 5.500 . 5.500 4.738 3.430 5.521 0.021 18 0 "[ . 1 . 2 . 3 . 4]" 1 54 1 10 MET HG3 1 47 VAL MG1 6.610 . 6.610 5.566 3.709 6.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 55 1 10 MET HG3 1 47 VAL MG2 6.610 . 6.610 4.724 3.618 5.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 56 1 11 ASP H 1 11 ASP QB 3.430 . 3.430 2.375 2.048 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 57 1 11 ASP H 1 12 SER H 3.720 . 3.720 2.660 2.509 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 58 1 11 ASP H 1 12 SER QB 4.910 . 4.910 4.664 4.201 4.927 0.017 8 0 "[ . 1 . 2 . 3 . 4]" 1 59 1 11 ASP HA 1 14 LEU H 4.840 . 4.840 3.458 3.133 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 60 1 11 ASP HA 1 14 LEU HB2 4.750 . 4.750 2.906 2.562 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 61 1 11 ASP HA 1 14 LEU QD 3.770 . 3.770 2.295 2.013 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 62 1 11 ASP HA 1 15 GLN H 4.630 . 4.630 4.270 4.051 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 63 1 11 ASP QB 1 12 SER H 3.510 . 3.510 2.710 2.347 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 64 1 11 ASP QB 1 12 SER QB 4.770 . 4.770 4.351 3.772 4.858 0.088 25 0 "[ . 1 . 2 . 3 . 4]" 1 65 1 12 SER H 1 12 SER QB 3.180 . 3.180 2.418 2.163 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 66 1 12 SER H 1 13 ARG H 3.560 . 3.560 2.601 2.468 2.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 67 1 12 SER H 1 13 ARG QB 5.500 . 5.500 4.728 4.572 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 68 1 12 SER QB 1 13 ARG H 3.580 . 3.580 2.827 2.576 3.593 0.013 33 0 "[ . 1 . 2 . 3 . 4]" 1 69 1 12 SER QB 1 13 ARG QG 4.510 . 4.510 3.546 3.351 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 70 1 13 ARG H 1 13 ARG QB 3.260 . 3.260 2.487 2.391 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 71 1 13 ARG H 1 13 ARG QD 4.460 . 4.460 3.859 3.648 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 72 1 13 ARG H 1 13 ARG HG2 4.030 . 4.030 3.515 3.198 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 73 1 13 ARG H 1 13 ARG QG 3.490 . 3.490 2.299 2.132 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 74 1 13 ARG H 1 13 ARG HG3 4.030 . 4.030 2.331 2.165 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 75 1 13 ARG H 1 14 LEU H 3.570 . 3.570 2.611 2.459 2.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 76 1 13 ARG H 1 14 LEU HB2 4.790 . 4.790 4.685 4.525 4.795 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1 77 1 13 ARG H 1 45 LEU QD 5.440 . 5.440 4.571 4.373 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 78 1 13 ARG HA 1 13 ARG QG 3.690 . 3.690 2.462 2.371 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 79 1 13 ARG HA 1 15 GLN H 5.020 . 5.020 4.410 4.254 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 80 1 13 ARG QB 1 14 LEU QD 4.790 . 4.790 3.748 3.468 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 81 1 13 ARG QB 1 15 GLN H 5.500 . 5.500 4.684 4.557 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 82 1 13 ARG QD 1 45 LEU MD1 3.930 . 3.930 3.274 2.666 3.947 0.017 15 0 "[ . 1 . 2 . 3 . 4]" 1 83 1 13 ARG QD 1 45 LEU QD 3.350 . 3.350 2.367 2.005 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 84 1 13 ARG QD 1 45 LEU MD2 3.930 . 3.930 2.434 2.035 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 85 1 13 ARG QG 1 14 LEU H 4.240 . 4.240 4.056 3.870 4.241 0.001 40 0 "[ . 1 . 2 . 3 . 4]" 1 86 1 13 ARG QG 1 45 LEU QD 4.160 . 4.160 3.688 3.453 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 87 1 14 LEU H 1 14 LEU HB2 3.690 . 3.690 2.402 2.324 2.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 88 1 14 LEU H 1 14 LEU HB3 3.740 . 3.740 3.600 3.576 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 89 1 14 LEU H 1 14 LEU MD1 3.880 . 3.880 3.284 2.877 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 90 1 14 LEU H 1 14 LEU QD 3.390 . 3.390 3.056 2.806 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 91 1 14 LEU H 1 14 LEU MD2 3.880 . 3.880 3.699 3.420 3.906 0.026 21 0 "[ . 1 . 2 . 3 . 4]" 1 92 1 14 LEU H 1 14 LEU HG 3.300 . 3.300 2.364 2.192 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 93 1 14 LEU H 1 15 GLN H 3.550 . 3.550 2.693 2.601 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 94 1 14 LEU H 1 45 LEU QD 4.980 . 4.980 3.666 3.412 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 95 1 14 LEU HA 1 14 LEU MD1 4.290 . 4.290 3.880 3.794 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 96 1 14 LEU HA 1 14 LEU QD 2.930 . 2.930 2.153 2.024 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 97 1 14 LEU HA 1 14 LEU MD2 4.290 . 4.290 2.164 2.031 2.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 98 1 14 LEU HA 1 14 LEU HG 4.150 . 4.150 2.739 2.418 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 99 1 14 LEU HA 1 17 ILE H 4.180 . 4.180 3.469 3.285 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 100 1 14 LEU HA 1 17 ILE HB 3.970 . 3.970 2.726 2.527 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 101 1 14 LEU HA 1 17 ILE MD 3.660 . 3.660 2.426 2.240 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 102 1 14 LEU HA 1 17 ILE MG 4.880 . 4.880 4.073 3.880 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 103 1 14 LEU HA 1 18 HIS H 4.510 . 4.510 4.045 3.836 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 104 1 14 LEU HA 1 42 LEU QD 4.280 . 4.280 3.488 3.196 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 105 1 14 LEU HA 1 45 LEU QD 4.600 . 4.600 3.335 2.981 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 106 1 14 LEU HA 1 58 MET ME 3.730 . 3.730 3.156 2.968 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 107 1 14 LEU HB2 1 14 LEU QD 3.130 . 3.130 2.208 2.155 2.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 108 1 14 LEU HB2 1 15 GLN H 4.010 . 4.010 2.670 2.610 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 109 1 14 LEU HB3 1 14 LEU QD 3.120 . 3.120 2.199 2.121 2.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 110 1 14 LEU HB3 1 15 GLN H 4.170 . 4.170 3.604 3.474 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 111 1 14 LEU HB3 1 58 MET ME 3.680 . 3.680 2.147 1.996 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 112 1 14 LEU QD 1 15 GLN H 4.180 . 4.180 4.102 3.997 4.202 0.022 27 0 "[ . 1 . 2 . 3 . 4]" 1 113 1 14 LEU QD 1 17 ILE HB 4.560 . 4.560 3.778 3.473 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 114 1 14 LEU QD 1 17 ILE MD 3.200 . 3.200 2.798 2.281 3.280 0.080 18 0 "[ . 1 . 2 . 3 . 4]" 1 115 1 14 LEU QD 1 42 LEU HA 4.250 . 4.250 3.835 3.381 4.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 116 1 14 LEU QD 1 42 LEU QD 2.750 . 2.750 2.178 2.037 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 117 1 14 LEU QD 1 45 LEU QB 3.930 . 3.930 3.053 2.807 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 118 1 14 LEU QD 1 45 LEU QD 2.910 . 2.910 2.148 2.035 2.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 119 1 14 LEU QD 1 47 VAL HA 5.440 . 5.440 3.683 3.443 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 120 1 14 LEU QD 1 47 VAL HB 4.350 . 4.350 3.747 2.198 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 121 1 14 LEU QD 1 47 VAL QG 2.560 . 2.560 1.833 1.746 2.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 122 1 14 LEU QD 1 51 GLN HA 5.010 . 5.010 4.252 3.815 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 123 1 14 LEU QD 1 51 GLN QB 3.690 . 3.690 2.525 2.264 3.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 124 1 14 LEU QD 1 51 GLN QE 4.490 . 4.490 3.687 2.514 4.596 0.106 27 0 "[ . 1 . 2 . 3 . 4]" 1 125 1 14 LEU QD 1 51 GLN QG 5.280 . 5.280 3.722 3.310 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 126 1 14 LEU QD 1 52 ALA HA 4.550 . 4.550 3.622 3.267 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 127 1 14 LEU QD 1 52 ALA MB 4.810 . 4.810 4.151 3.903 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 128 1 14 LEU QD 1 55 HIS H 5.190 . 5.190 4.904 4.607 5.206 0.016 28 0 "[ . 1 . 2 . 3 . 4]" 1 129 1 14 LEU QD 1 55 HIS HB2 5.440 . 5.440 3.394 3.105 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 130 1 14 LEU QD 1 55 HIS HB3 4.750 . 4.750 3.888 3.646 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 131 1 14 LEU QD 1 55 HIS HD2 3.790 . 3.790 2.340 2.136 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 132 1 14 LEU QD 1 55 HIS HE1 4.960 . 4.960 4.038 3.732 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 133 1 14 LEU QD 1 58 MET ME 2.830 . 2.830 1.862 1.811 1.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 134 1 14 LEU QD 1 85 PHE HZ 4.300 . 4.300 3.026 2.492 3.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 135 1 14 LEU MD1 1 15 GLN H 4.790 . 4.790 4.443 4.265 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 136 1 14 LEU MD1 1 47 VAL HB 5.370 . 5.370 4.515 2.546 5.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 137 1 14 LEU MD1 1 47 VAL MG1 3.450 . 3.450 2.428 2.106 3.689 0.239 37 0 "[ . 1 . 2 . 3 . 4]" 1 138 1 14 LEU MD1 1 47 VAL MG2 3.450 . 3.450 2.779 2.117 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 139 1 14 LEU MD1 1 58 MET ME 3.450 . 3.450 3.163 2.302 3.604 0.154 18 0 "[ . 1 . 2 . 3 . 4]" 1 140 1 14 LEU MD2 1 15 GLN H 4.790 . 4.790 4.821 4.801 4.849 0.059 37 0 "[ . 1 . 2 . 3 . 4]" 1 141 1 14 LEU MD2 1 47 VAL HB 5.370 . 5.370 4.018 2.403 4.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 142 1 14 LEU MD2 1 47 VAL MG1 3.450 . 3.450 2.632 2.231 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 143 1 14 LEU MD2 1 47 VAL MG2 3.450 . 3.450 2.049 1.961 2.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 144 1 14 LEU MD2 1 58 MET ME 3.450 . 3.450 1.879 1.819 1.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 145 1 14 LEU HG 1 15 GLN H 5.180 . 5.180 4.448 4.302 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 146 1 14 LEU HG 1 17 ILE HB 5.500 . 5.500 5.347 5.022 5.512 0.012 9 0 "[ . 1 . 2 . 3 . 4]" 1 147 1 14 LEU HG 1 42 LEU QD 5.070 . 5.070 4.190 3.743 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 148 1 14 LEU HG 1 58 MET ME 3.750 . 3.750 3.923 3.854 3.990 0.240 36 0 "[ . 1 . 2 . 3 . 4]" 1 149 1 15 GLN H 1 15 GLN HB2 3.620 . 3.620 2.484 2.347 3.630 0.010 39 0 "[ . 1 . 2 . 3 . 4]" 1 150 1 15 GLN H 1 15 GLN QB 3.090 . 3.090 2.394 2.318 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 151 1 15 GLN H 1 15 GLN HB3 3.620 . 3.620 3.563 2.523 3.626 0.006 10 0 "[ . 1 . 2 . 3 . 4]" 1 152 1 15 GLN H 1 15 GLN HG2 4.020 . 4.020 3.364 2.154 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 153 1 15 GLN H 1 15 GLN QG 3.370 . 3.370 2.410 2.132 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 154 1 15 GLN H 1 15 GLN HG3 4.020 . 4.020 2.723 2.352 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 155 1 15 GLN H 1 16 ARG H 3.370 . 3.370 2.692 2.533 2.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 156 1 15 GLN H 1 16 ARG HA 5.420 . 5.420 5.327 5.232 5.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 157 1 15 GLN H 1 16 ARG QB 4.590 . 4.590 4.499 4.353 4.601 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1 158 1 15 GLN H 1 17 ILE H 4.760 . 4.760 4.282 4.172 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 159 1 15 GLN H 1 55 HIS HE1 4.280 . 4.280 3.684 2.698 4.280 0.000 28 0 "[ . 1 . 2 . 3 . 4]" 1 160 1 15 GLN H 1 58 MET ME 5.500 . 5.500 5.089 4.869 5.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 161 1 15 GLN HA 1 15 GLN QE 5.190 . 5.190 4.569 3.731 5.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 162 1 15 GLN HA 1 15 GLN HG2 4.020 . 4.020 2.660 2.365 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 163 1 15 GLN HA 1 15 GLN QG 3.410 . 3.410 2.524 2.303 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 164 1 15 GLN HA 1 15 GLN HG3 4.020 . 4.020 3.184 2.798 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 165 1 15 GLN HB2 1 16 ARG H 3.800 . 3.800 2.705 2.494 3.816 0.016 39 0 "[ . 1 . 2 . 3 . 4]" 1 166 1 15 GLN HB3 1 16 ARG H 3.800 . 3.800 3.578 3.437 3.868 0.068 39 0 "[ . 1 . 2 . 3 . 4]" 1 167 1 15 GLN QG 1 16 ARG H 4.450 . 4.450 4.109 2.233 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 168 1 15 GLN QG 1 55 HIS HE1 3.780 . 3.780 2.186 1.836 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 169 1 15 GLN HG2 1 16 ARG H 5.110 . 5.110 4.854 2.510 5.119 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1 170 1 15 GLN HG2 1 55 HIS HE1 4.530 . 4.530 2.935 1.893 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 171 1 15 GLN HG3 1 16 ARG H 5.110 . 5.110 4.480 2.482 5.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 172 1 15 GLN HG3 1 55 HIS HE1 4.530 . 4.530 2.519 1.890 4.559 0.029 39 0 "[ . 1 . 2 . 3 . 4]" 1 173 1 16 ARG H 1 16 ARG HB2 3.700 . 3.700 2.485 2.077 2.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 174 1 16 ARG H 1 16 ARG QB 3.140 . 3.140 2.269 2.053 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 175 1 16 ARG H 1 16 ARG HB3 3.700 . 3.700 2.789 2.364 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 176 1 16 ARG H 1 16 ARG HD2 5.490 . 5.490 4.980 3.141 5.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 177 1 16 ARG H 1 16 ARG QD 4.720 . 4.720 4.377 2.849 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 178 1 16 ARG H 1 16 ARG HD3 5.490 . 5.490 4.904 3.263 5.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 179 1 16 ARG H 1 16 ARG HG2 4.710 . 4.710 4.317 2.923 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 180 1 16 ARG H 1 16 ARG HG3 4.710 . 4.710 4.275 2.638 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 181 1 16 ARG H 1 17 ILE H 3.510 . 3.510 2.760 2.647 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 182 1 16 ARG HA 1 16 ARG HG2 3.990 . 3.990 2.930 2.278 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 183 1 16 ARG HA 1 16 ARG QG 3.450 . 3.450 2.412 2.213 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 184 1 16 ARG HA 1 16 ARG HG3 3.990 . 3.990 2.705 2.325 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 185 1 16 ARG HA 1 19 ALA H 4.160 . 4.160 3.368 3.248 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 186 1 16 ARG HA 1 19 ALA MB 3.270 . 3.270 2.629 2.499 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 187 1 16 ARG QB 1 17 ILE H 3.640 . 3.640 2.498 2.368 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 188 1 16 ARG HB2 1 17 ILE H 4.260 . 4.260 3.613 2.542 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 189 1 16 ARG HB3 1 17 ILE H 4.260 . 4.260 2.647 2.393 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 190 1 16 ARG QG 1 17 ILE H 4.410 . 4.410 3.754 3.087 4.417 0.007 27 0 "[ . 1 . 2 . 3 . 4]" 1 191 1 16 ARG HG2 1 17 ILE H 5.050 . 5.050 3.994 3.153 5.052 0.002 21 0 "[ . 1 . 2 . 3 . 4]" 1 192 1 16 ARG HG3 1 17 ILE H 5.050 . 5.050 4.751 4.406 5.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 193 1 17 ILE H 1 17 ILE HB 3.460 . 3.460 2.401 2.299 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 194 1 17 ILE H 1 17 ILE MD 3.550 . 3.550 3.338 3.235 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 195 1 17 ILE H 1 17 ILE HG12 4.030 . 4.030 3.686 3.608 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 196 1 17 ILE H 1 17 ILE HG13 3.650 . 3.650 2.272 2.177 2.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 197 1 17 ILE H 1 17 ILE MG 3.980 . 3.980 3.775 3.727 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 198 1 17 ILE HA 1 17 ILE MD 3.890 . 3.890 3.856 3.795 3.892 0.002 38 0 "[ . 1 . 2 . 3 . 4]" 1 199 1 17 ILE HA 1 17 ILE HG12 3.870 . 3.870 2.618 2.530 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 200 1 17 ILE HA 1 17 ILE HG13 4.030 . 4.030 2.702 2.578 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 201 1 17 ILE HA 1 17 ILE MG 3.320 . 3.320 2.537 2.457 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 202 1 17 ILE HA 1 20 GLU H 4.210 . 4.210 3.374 3.179 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 203 1 17 ILE HA 1 20 GLU QB 4.260 . 4.260 2.746 2.547 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 204 1 17 ILE HA 1 20 GLU HG2 4.480 . 4.480 3.305 2.815 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 205 1 17 ILE HA 1 20 GLU QG 3.800 . 3.800 3.059 2.641 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 206 1 17 ILE HA 1 20 GLU HG3 4.480 . 4.480 3.667 3.013 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 207 1 17 ILE HA 1 38 ALA MB 3.800 . 3.800 2.678 2.438 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 208 1 17 ILE HB 1 17 ILE MD 3.180 . 3.180 2.285 2.208 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 209 1 17 ILE HB 1 18 HIS H 3.720 . 3.720 2.602 2.490 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 210 1 17 ILE HB 1 38 ALA MB 5.500 . 5.500 4.549 4.370 4.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 211 1 17 ILE MD 1 17 ILE MG 2.820 . 2.820 2.186 2.128 2.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 212 1 17 ILE MD 1 18 HIS H 4.620 . 4.620 4.466 4.317 4.636 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1 213 1 17 ILE MD 1 38 ALA HA 4.910 . 4.910 4.337 3.958 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 214 1 17 ILE MD 1 41 GLU H 4.590 . 4.590 4.536 4.203 4.632 0.042 13 0 "[ . 1 . 2 . 3 . 4]" 1 215 1 17 ILE MD 1 41 GLU QB 3.710 . 3.710 2.640 1.864 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 216 1 17 ILE MD 1 41 GLU HG2 4.080 . 4.080 2.700 2.345 4.230 0.150 36 0 "[ . 1 . 2 . 3 . 4]" 1 217 1 17 ILE MD 1 41 GLU QG 3.560 . 3.560 2.370 1.946 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 218 1 17 ILE MD 1 41 GLU HG3 4.080 . 4.080 3.093 2.012 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 219 1 17 ILE MD 1 42 LEU H 3.890 . 3.890 2.891 2.752 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 220 1 17 ILE MD 1 42 LEU HA 3.410 . 3.410 2.390 2.210 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 221 1 17 ILE MD 1 42 LEU QB 3.990 . 3.990 2.516 2.236 3.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 222 1 17 ILE MD 1 42 LEU HG 4.970 . 4.970 3.894 2.263 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 223 1 17 ILE MD 1 43 ALA H 5.500 . 5.500 4.816 4.757 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 224 1 17 ILE MD 1 44 SER H 5.500 . 5.500 5.440 5.176 5.518 0.018 9 0 "[ . 1 . 2 . 3 . 4]" 1 225 1 17 ILE MD 1 45 LEU HG 4.170 . 4.170 3.270 2.695 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 226 1 17 ILE HG12 1 17 ILE MG 2.810 . 2.810 2.316 2.297 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 227 1 17 ILE HG12 1 18 HIS H 5.220 . 5.220 5.093 5.028 5.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 228 1 17 ILE HG12 1 41 GLU H 5.500 . 5.500 4.857 4.645 5.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 229 1 17 ILE MG 1 18 HIS H 3.660 . 3.660 3.230 3.119 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 230 1 17 ILE MG 1 18 HIS HA 4.160 . 4.160 3.253 3.130 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 231 1 17 ILE MG 1 21 ILE H 4.470 . 4.470 4.018 3.882 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 232 1 17 ILE MG 1 21 ILE MD 3.150 . 3.150 2.306 2.169 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 233 1 17 ILE MG 1 21 ILE HG13 3.590 . 3.590 3.057 2.930 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 234 1 17 ILE MG 1 38 ALA H 5.430 . 5.430 5.025 4.937 5.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 235 1 17 ILE MG 1 38 ALA HA 4.070 . 4.070 3.414 3.197 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 236 1 17 ILE MG 1 38 ALA MB 3.000 . 3.000 2.116 2.007 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 237 1 17 ILE MG 1 39 LEU HA 4.290 . 4.290 3.460 3.249 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 238 1 17 ILE MG 1 42 LEU H 3.840 . 3.840 3.440 3.295 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 239 1 17 ILE MG 1 42 LEU HA 3.860 . 3.860 3.721 3.296 3.869 0.009 40 0 "[ . 1 . 2 . 3 . 4]" 1 240 1 17 ILE MG 1 42 LEU HB2 4.290 . 4.290 2.119 1.989 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 241 1 17 ILE MG 1 42 LEU QB 3.510 . 3.510 2.104 1.978 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 242 1 17 ILE MG 1 42 LEU HB3 4.290 . 4.290 3.581 3.469 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 243 1 17 ILE MG 1 42 LEU QD 2.980 . 2.980 2.078 1.967 2.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 244 1 18 HIS H 1 18 HIS HB2 3.520 . 3.520 2.447 2.371 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 245 1 18 HIS H 1 18 HIS HB3 3.550 . 3.550 2.535 2.415 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 246 1 18 HIS H 1 18 HIS HD2 5.280 . 5.280 4.904 4.802 5.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 247 1 18 HIS H 1 19 ALA H 3.520 . 3.520 2.752 2.715 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 248 1 18 HIS H 1 19 ALA MB 4.630 . 4.630 4.422 4.379 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 249 1 18 HIS H 1 38 ALA MB 5.500 . 5.500 5.293 5.085 5.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 250 1 18 HIS H 1 42 LEU QD 5.440 . 5.440 4.655 4.472 5.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 251 1 18 HIS H 1 58 MET QB 5.340 . 5.340 4.602 4.343 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 252 1 18 HIS H 1 58 MET QG 4.600 . 4.600 4.056 3.396 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 253 1 18 HIS HA 1 19 ALA MB 5.270 . 5.270 5.054 5.042 5.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 254 1 18 HIS HA 1 21 ILE HB 4.310 . 4.310 3.274 3.020 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 255 1 18 HIS HA 1 21 ILE MD 3.580 . 3.580 2.767 2.484 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 256 1 18 HIS HA 1 21 ILE MG 5.170 . 5.170 4.630 4.394 4.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 257 1 18 HIS HA 1 61 THR MG 4.600 . 4.600 3.967 3.630 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 258 1 18 HIS HB2 1 19 ALA H 4.080 . 4.080 3.825 3.757 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 259 1 18 HIS HB2 1 19 ALA MB 5.460 . 5.460 5.247 5.186 5.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 260 1 18 HIS HB2 1 58 MET QB 4.620 . 4.620 2.501 2.234 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 261 1 18 HIS HB2 1 58 MET ME 4.300 . 4.300 3.861 3.603 4.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 262 1 18 HIS HB2 1 58 MET QG 4.140 . 4.140 2.739 2.089 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 263 1 18 HIS HB3 1 19 ALA H 3.640 . 3.640 2.514 2.422 2.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 264 1 18 HIS HB3 1 19 ALA MB 4.580 . 4.580 3.862 3.801 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 265 1 18 HIS HB3 1 58 MET QG 4.470 . 4.470 4.292 3.695 4.485 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1 266 1 18 HIS HD2 1 21 ILE HB 4.670 . 4.670 3.863 3.421 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 267 1 18 HIS HD2 1 21 ILE MD 4.140 . 4.140 3.745 3.361 4.145 0.005 29 0 "[ . 1 . 2 . 3 . 4]" 1 268 1 18 HIS HD2 1 21 ILE MG 4.960 . 4.960 4.530 4.175 4.990 0.030 23 0 "[ . 1 . 2 . 3 . 4]" 1 269 1 18 HIS HD2 1 22 LYS H 5.180 . 5.180 4.747 4.366 5.180 . 38 0 "[ . 1 . 2 . 3 . 4]" 1 270 1 18 HIS HD2 1 22 LYS HG3 4.620 . 4.620 3.551 3.147 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 271 1 18 HIS HD2 1 58 MET ME 5.500 . 5.500 5.522 5.470 5.550 0.050 9 0 "[ . 1 . 2 . 3 . 4]" 1 272 1 18 HIS HD2 1 58 MET QG 4.180 . 4.180 2.899 2.637 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 273 1 18 HIS HD2 1 61 THR MG 3.410 . 3.410 2.660 2.328 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 274 1 18 HIS HE1 1 22 LYS HD2 5.010 . 5.010 3.401 2.726 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 275 1 18 HIS HE1 1 22 LYS QD 4.350 . 4.350 3.281 2.668 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 276 1 18 HIS HE1 1 22 LYS HD3 5.010 . 5.010 4.377 3.793 5.012 0.002 38 0 "[ . 1 . 2 . 3 . 4]" 1 277 1 18 HIS HE1 1 57 GLU QB 3.420 . 3.420 2.900 2.157 3.434 0.014 4 0 "[ . 1 . 2 . 3 . 4]" 1 278 1 18 HIS HE1 1 57 GLU HG2 4.560 . 4.560 2.973 2.349 4.568 0.008 9 0 "[ . 1 . 2 . 3 . 4]" 1 279 1 18 HIS HE1 1 57 GLU HG3 4.560 . 4.560 2.970 2.206 4.577 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1 280 1 19 ALA H 1 19 ALA MB 2.740 . 2.740 2.233 2.222 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 281 1 19 ALA H 1 20 GLU H 3.260 . 3.260 2.707 2.648 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 282 1 19 ALA HA 1 22 LYS H 4.140 . 4.140 3.513 3.341 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 283 1 19 ALA HA 1 22 LYS HB2 4.650 . 4.650 2.824 2.586 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 284 1 19 ALA HA 1 22 LYS QB 3.860 . 3.860 2.796 2.565 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 285 1 19 ALA HA 1 22 LYS HB3 4.650 . 4.650 4.495 4.263 4.657 0.007 23 0 "[ . 1 . 2 . 3 . 4]" 1 286 1 19 ALA HA 1 22 LYS HD2 5.160 . 5.160 4.785 3.823 5.173 0.013 32 0 "[ . 1 . 2 . 3 . 4]" 1 287 1 19 ALA HA 1 22 LYS QD 4.390 . 4.390 3.635 2.661 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 288 1 19 ALA HA 1 22 LYS HD3 5.160 . 5.160 3.840 2.690 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 289 1 19 ALA HA 1 22 LYS HG3 5.040 . 5.040 3.798 3.448 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 290 1 19 ALA HA 1 23 ASN H 4.470 . 4.470 3.990 3.783 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 291 1 19 ALA MB 1 20 GLU H 3.220 . 3.220 2.589 2.498 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 292 1 19 ALA MB 1 20 GLU HA 4.300 . 4.300 3.840 3.767 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 293 1 19 ALA MB 1 20 GLU QG 4.200 . 4.200 3.577 3.441 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 294 1 19 ALA MB 1 21 ILE H 4.860 . 4.860 4.666 4.588 4.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 295 1 19 ALA MB 1 22 LYS H 4.750 . 4.750 4.692 4.579 4.762 0.012 37 0 "[ . 1 . 2 . 3 . 4]" 1 296 1 19 ALA MB 1 23 ASN H 4.580 . 4.580 4.441 4.306 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 297 1 19 ALA MB 1 23 ASN HD21 4.050 . 4.050 3.498 2.695 4.122 0.072 17 0 "[ . 1 . 2 . 3 . 4]" 1 298 1 19 ALA MB 1 23 ASN HD22 4.050 . 4.050 3.059 2.696 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 299 1 20 GLU H 1 20 GLU QB 3.440 . 3.440 2.479 2.307 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 300 1 20 GLU H 1 20 GLU QG 3.100 . 3.100 2.428 2.290 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 301 1 20 GLU H 1 21 ILE H 3.560 . 3.560 2.780 2.695 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 302 1 20 GLU H 1 21 ILE HG13 4.860 . 4.860 4.605 4.541 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 303 1 20 GLU HA 1 23 ASN H 4.190 . 4.190 3.495 3.091 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 304 1 20 GLU HA 1 23 ASN QB 4.270 . 4.270 3.051 2.211 4.290 0.020 17 0 "[ . 1 . 2 . 3 . 4]" 1 305 1 20 GLU QB 1 38 ALA H 5.500 . 5.500 4.497 4.298 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 306 1 20 GLU QB 1 38 ALA MB 3.350 . 3.350 2.246 2.128 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 307 1 20 GLU QG 1 21 ILE H 4.560 . 4.560 4.177 4.046 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 308 1 20 GLU QG 1 38 ALA MB 3.490 . 3.490 3.135 2.914 3.523 0.033 28 0 "[ . 1 . 2 . 3 . 4]" 1 309 1 20 GLU HG2 1 38 ALA MB 4.000 . 4.000 4.025 3.925 4.090 0.090 37 0 "[ . 1 . 2 . 3 . 4]" 1 310 1 20 GLU HG3 1 38 ALA MB 4.000 . 4.000 3.279 2.989 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 311 1 21 ILE H 1 21 ILE HB 3.180 . 3.180 2.525 2.493 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 312 1 21 ILE H 1 21 ILE MD 3.580 . 3.580 3.434 3.355 3.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 313 1 21 ILE H 1 21 ILE HG12 3.990 . 3.990 3.638 3.548 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 314 1 21 ILE H 1 21 ILE HG13 3.960 . 3.960 2.228 2.132 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 315 1 21 ILE H 1 21 ILE MG 3.830 . 3.830 3.831 3.819 3.843 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1 316 1 21 ILE H 1 22 LYS H 3.680 . 3.680 2.763 2.682 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 317 1 21 ILE H 1 23 ASN H 4.660 . 4.660 4.289 4.095 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 318 1 21 ILE H 1 38 ALA MB 3.900 . 3.900 3.435 3.232 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 319 1 21 ILE HA 1 21 ILE MD 3.910 . 3.910 3.911 3.894 3.923 0.013 39 0 "[ . 1 . 2 . 3 . 4]" 1 320 1 21 ILE HA 1 21 ILE HG12 3.680 . 3.680 2.636 2.597 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 321 1 21 ILE HA 1 21 ILE HG13 4.030 . 4.030 2.823 2.785 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 322 1 21 ILE HA 1 21 ILE MG 3.180 . 3.180 2.445 2.413 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 323 1 21 ILE HA 1 24 SER H 4.260 . 4.260 3.525 3.281 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 324 1 21 ILE HA 1 24 SER QB 4.730 . 4.730 3.211 2.145 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 325 1 21 ILE HA 1 25 LEU H 4.890 . 4.890 4.117 3.960 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 326 1 21 ILE HA 1 25 LEU MD1 4.480 . 4.480 4.116 3.334 4.507 0.027 30 0 "[ . 1 . 2 . 3 . 4]" 1 327 1 21 ILE HA 1 25 LEU MD2 4.480 . 4.480 4.499 4.352 4.556 0.076 39 0 "[ . 1 . 2 . 3 . 4]" 1 328 1 21 ILE HA 1 35 CYS HA 4.200 . 4.200 3.028 2.855 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 329 1 21 ILE HA 1 38 ALA MB 4.350 . 4.350 3.722 3.551 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 330 1 21 ILE HA 1 39 LEU QD 5.440 . 5.440 5.013 4.255 5.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 331 1 21 ILE HB 1 21 ILE MD 3.200 . 3.200 2.360 2.317 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 332 1 21 ILE HB 1 22 LYS H 3.600 . 3.600 2.635 2.558 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 333 1 21 ILE HB 1 22 LYS QB 5.340 . 5.340 4.655 4.485 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 334 1 21 ILE HB 1 61 THR MG 3.900 . 3.900 3.008 2.666 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 335 1 21 ILE MD 1 22 LYS H 4.540 . 4.540 4.522 4.427 4.563 0.023 19 0 "[ . 1 . 2 . 3 . 4]" 1 336 1 21 ILE MD 1 35 CYS HG 4.210 . 4.210 4.014 3.790 4.211 0.001 28 0 "[ . 1 . 2 . 3 . 4]" 1 337 1 21 ILE MD 1 38 ALA MB 3.420 . 3.420 3.059 2.814 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 338 1 21 ILE MD 1 39 LEU H 4.700 . 4.700 4.214 3.935 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 339 1 21 ILE MD 1 39 LEU HA 4.100 . 4.100 3.410 3.275 3.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 340 1 21 ILE MD 1 42 LEU QB 5.260 . 5.260 3.932 3.733 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 341 1 21 ILE MD 1 42 LEU QD 3.240 . 3.240 2.894 2.605 3.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 342 1 21 ILE MD 1 58 MET QG 4.320 . 4.320 3.251 3.032 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 343 1 21 ILE MD 1 61 THR MG 3.700 . 3.700 2.990 2.658 3.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 344 1 21 ILE HG12 1 21 ILE MG 3.580 . 3.580 2.337 2.281 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 345 1 21 ILE HG12 1 25 LEU QD 5.170 . 5.170 4.377 4.202 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 346 1 21 ILE HG12 1 38 ALA H 5.500 . 5.500 5.214 4.918 5.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 347 1 21 ILE HG13 1 38 ALA MB 3.200 . 3.200 2.418 2.267 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 348 1 21 ILE MG 1 22 LYS H 3.750 . 3.750 3.375 3.301 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 349 1 21 ILE MG 1 22 LYS HA 4.330 . 4.330 3.296 3.192 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 350 1 21 ILE MG 1 25 LEU HA 5.500 . 5.500 5.543 5.516 5.569 0.069 23 0 "[ . 1 . 2 . 3 . 4]" 1 351 1 21 ILE MG 1 25 LEU MD1 3.890 . 3.890 2.799 2.423 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 352 1 21 ILE MG 1 25 LEU QD 2.970 . 2.970 2.530 2.402 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 353 1 21 ILE MG 1 25 LEU MD2 3.890 . 3.890 3.460 2.525 3.961 0.071 8 0 "[ . 1 . 2 . 3 . 4]" 1 354 1 21 ILE MG 1 35 CYS HA 4.490 . 4.490 3.975 3.706 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 355 1 21 ILE MG 1 38 ALA MB 4.490 . 4.490 4.336 4.158 4.510 0.020 3 0 "[ . 1 . 2 . 3 . 4]" 1 356 1 21 ILE MG 1 39 LEU QD 3.700 . 3.700 3.355 3.113 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 357 1 21 ILE MG 1 39 LEU HG 5.500 . 5.500 4.273 4.095 5.512 0.012 28 0 "[ . 1 . 2 . 3 . 4]" 1 358 1 21 ILE MG 1 61 THR MG 2.840 . 2.840 2.374 2.200 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 359 1 21 ILE MG 1 65 ILE MD 3.150 . 3.150 2.085 1.949 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 360 1 21 ILE MG 1 65 ILE MG 3.500 . 3.500 2.448 2.261 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 361 1 21 ILE MG 1 133 PHE QD 5.240 . 5.240 4.257 4.052 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 362 1 21 ILE MG 1 133 PHE QE 3.910 . 3.910 2.233 2.121 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 363 1 21 ILE MG 1 133 PHE HZ 4.390 . 4.390 2.640 2.201 3.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 364 1 22 LYS H 1 22 LYS HB2 3.810 . 3.810 2.414 2.290 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 365 1 22 LYS H 1 22 LYS QB 3.290 . 3.290 2.380 2.263 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 366 1 22 LYS H 1 22 LYS HB3 3.810 . 3.810 3.614 3.552 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 367 1 22 LYS H 1 22 LYS HD2 5.040 . 5.040 4.774 4.399 5.041 0.001 26 0 "[ . 1 . 2 . 3 . 4]" 1 368 1 22 LYS H 1 22 LYS QD 4.240 . 4.240 4.080 3.590 4.302 0.062 26 0 "[ . 1 . 2 . 3 . 4]" 1 369 1 22 LYS H 1 22 LYS HD3 5.040 . 5.040 4.450 3.806 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 370 1 22 LYS H 1 22 LYS HG2 4.020 . 4.020 3.460 2.990 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 371 1 22 LYS H 1 22 LYS HG3 3.490 . 3.490 2.538 2.290 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 372 1 22 LYS H 1 23 ASN H 3.490 . 3.490 2.754 2.660 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 373 1 22 LYS H 1 24 SER H 4.700 . 4.700 4.122 3.982 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 374 1 22 LYS H 1 61 THR MG 4.630 . 4.630 4.139 3.749 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 375 1 22 LYS HA 1 22 LYS QD 4.680 . 4.680 4.090 3.854 4.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 376 1 22 LYS HA 1 22 LYS HG2 3.810 . 3.810 2.324 2.177 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 377 1 22 LYS HA 1 22 LYS HG3 4.020 . 4.020 3.118 2.878 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 378 1 22 LYS HA 1 25 LEU H 4.740 . 4.740 3.693 3.547 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 379 1 22 LYS HA 1 25 LEU QD 4.710 . 4.710 4.547 4.368 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 380 1 22 LYS HA 1 61 THR MG 4.280 . 4.280 4.208 3.810 4.342 0.062 3 0 "[ . 1 . 2 . 3 . 4]" 1 381 1 22 LYS HA 1 133 PHE QD 3.850 . 3.850 2.752 2.531 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 382 1 22 LYS HA 1 133 PHE QE 3.970 . 3.970 2.562 2.352 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 383 1 22 LYS HA 1 133 PHE HZ 5.000 . 5.000 3.920 3.512 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 384 1 22 LYS QB 1 22 LYS QD 3.180 . 3.180 2.293 2.101 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 385 1 22 LYS QB 1 22 LYS QE 3.700 . 3.700 2.242 2.004 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 386 1 22 LYS QB 1 23 ASN H 3.470 . 3.470 2.601 2.436 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 387 1 22 LYS HB2 1 22 LYS HE2 4.830 . 4.830 3.622 3.090 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 388 1 22 LYS HB2 1 22 LYS HE3 4.830 . 4.830 4.386 3.155 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 389 1 22 LYS HB2 1 23 ASN H 4.000 . 4.000 2.682 2.489 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 390 1 22 LYS HB3 1 22 LYS HE2 4.830 . 4.830 2.371 2.033 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 391 1 22 LYS HB3 1 22 LYS HE3 4.830 . 4.830 3.383 2.280 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 392 1 22 LYS HB3 1 23 ASN H 4.000 . 4.000 3.510 3.318 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 393 1 22 LYS QD 1 133 PHE QE 5.340 . 5.340 4.725 4.217 5.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 394 1 22 LYS QE 1 133 PHE QD 4.720 . 4.720 3.437 2.459 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 395 1 22 LYS HG2 1 23 ASN H 4.980 . 4.980 4.975 4.850 5.005 0.025 21 0 "[ . 1 . 2 . 3 . 4]" 1 396 1 22 LYS HG2 1 61 THR MG 4.080 . 4.080 3.291 2.528 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 397 1 22 LYS HG2 1 133 PHE QD 4.460 . 4.460 3.855 3.411 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 398 1 22 LYS HG2 1 133 PHE QE 4.660 . 4.660 3.433 3.089 3.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 399 1 22 LYS HG3 1 23 ASN H 4.730 . 4.730 4.547 4.345 4.735 0.005 33 0 "[ . 1 . 2 . 3 . 4]" 1 400 1 22 LYS HG3 1 133 PHE QD 5.500 . 5.500 5.188 4.817 5.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 401 1 22 LYS HG3 1 133 PHE QE 4.880 . 4.880 4.428 3.917 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 402 1 23 ASN H 1 23 ASN HB2 3.690 . 3.690 2.662 2.186 3.699 0.009 18 0 "[ . 1 . 2 . 3 . 4]" 1 403 1 23 ASN H 1 23 ASN QB 3.190 . 3.190 2.313 2.165 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 404 1 23 ASN H 1 23 ASN HB3 3.690 . 3.690 3.272 2.423 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 405 1 23 ASN H 1 23 ASN HD21 4.890 . 4.890 4.139 3.844 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 406 1 23 ASN H 1 23 ASN QD 4.170 . 4.170 2.974 2.481 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 407 1 23 ASN H 1 23 ASN HD22 4.890 . 4.890 3.062 2.512 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 408 1 23 ASN H 1 24 SER H 3.510 . 3.510 2.606 2.495 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 409 1 23 ASN HA 1 26 LYS QD 4.320 . 4.320 3.673 2.762 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 410 1 23 ASN HA 1 26 LYS HG2 4.560 . 4.560 3.956 3.473 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 411 1 23 ASN HA 1 26 LYS HG3 4.060 . 4.060 2.644 2.238 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 412 1 23 ASN QB 1 24 SER H 3.680 . 3.680 3.003 2.588 3.698 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1 413 1 23 ASN QB 1 26 LYS QD 4.750 . 4.750 4.293 3.646 4.773 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 1 414 1 23 ASN QB 1 26 LYS HG3 4.480 . 4.480 4.306 3.804 4.496 0.016 36 0 "[ . 1 . 2 . 3 . 4]" 1 415 1 23 ASN HB2 1 24 SER H 4.220 . 4.220 3.239 2.645 4.248 0.028 35 0 "[ . 1 . 2 . 3 . 4]" 1 416 1 23 ASN HB3 1 24 SER H 4.220 . 4.220 3.672 3.373 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 417 1 24 SER H 1 24 SER HB2 4.040 . 4.040 3.132 2.397 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 418 1 24 SER H 1 24 SER QB 3.550 . 3.550 2.454 2.135 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 419 1 24 SER H 1 24 SER HB3 4.040 . 4.040 2.743 2.221 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 420 1 24 SER H 1 25 LEU H 3.520 . 3.520 2.596 2.426 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 421 1 24 SER H 1 26 LYS H 5.030 . 5.030 4.895 4.584 5.032 0.002 33 0 "[ . 1 . 2 . 3 . 4]" 1 422 1 24 SER H 1 26 LYS HG3 5.500 . 5.500 5.008 4.669 5.509 0.009 17 0 "[ . 1 . 2 . 3 . 4]" 1 423 1 24 SER H 1 34 ARG QB 5.460 . 5.460 4.581 4.211 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 424 1 24 SER HA 1 26 LYS H 4.310 . 4.310 4.018 3.639 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 425 1 24 SER QB 1 25 LEU H 4.200 . 4.200 3.184 2.581 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 426 1 24 SER QB 1 25 LEU QD 4.020 . 4.020 2.930 2.198 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 427 1 24 SER QB 1 34 ARG QB 4.510 . 4.510 2.155 1.892 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 428 1 24 SER QB 1 34 ARG QG 4.440 . 4.440 3.677 2.237 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 429 1 25 LEU H 1 25 LEU HB2 3.710 . 3.710 2.458 2.110 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 430 1 25 LEU H 1 25 LEU HB3 3.860 . 3.860 3.632 3.360 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 431 1 25 LEU H 1 25 LEU MD1 4.140 . 4.140 3.714 2.846 4.176 0.036 17 0 "[ . 1 . 2 . 3 . 4]" 1 432 1 25 LEU H 1 25 LEU QD 3.480 . 3.480 3.125 2.782 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 433 1 25 LEU H 1 25 LEU MD2 4.140 . 4.140 3.642 3.319 4.158 0.018 35 0 "[ . 1 . 2 . 3 . 4]" 1 434 1 25 LEU H 1 25 LEU HG 4.290 . 4.290 3.394 2.742 4.356 0.066 10 0 "[ . 1 . 2 . 3 . 4]" 1 435 1 25 LEU H 1 26 LYS H 3.470 . 3.470 3.247 3.044 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 436 1 25 LEU H 1 133 PHE QD 4.310 . 4.310 3.482 3.325 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 437 1 25 LEU HA 1 25 LEU MD1 3.940 . 3.940 3.219 2.126 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 438 1 25 LEU HA 1 25 LEU QD 2.970 . 2.970 2.181 2.115 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 439 1 25 LEU HA 1 25 LEU MD2 3.940 . 3.940 2.721 2.151 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 440 1 25 LEU HA 1 30 LEU MD1 4.200 . 4.200 3.845 3.706 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 441 1 25 LEU HA 1 30 LEU MD2 3.200 . 3.200 2.904 2.749 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 442 1 25 LEU HB2 1 25 LEU MD1 3.550 . 3.550 2.414 2.366 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 443 1 25 LEU HB2 1 25 LEU QD 3.060 . 3.060 2.264 2.129 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 444 1 25 LEU HB2 1 25 LEU MD2 3.550 . 3.550 2.927 2.326 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 445 1 25 LEU HB2 1 133 PHE H 4.920 . 4.920 4.025 3.612 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 446 1 25 LEU HB2 1 133 PHE QD 3.900 . 3.900 2.441 2.064 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 447 1 25 LEU HB2 1 133 PHE QE 4.300 . 4.300 2.187 2.065 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 448 1 25 LEU HB3 1 25 LEU MD1 3.470 . 3.470 2.602 2.218 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 449 1 25 LEU HB3 1 25 LEU QD 3.040 . 3.040 2.160 2.083 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 450 1 25 LEU HB3 1 25 LEU MD2 3.470 . 3.470 2.447 2.261 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 451 1 25 LEU HB3 1 26 LYS H 4.710 . 4.710 4.432 4.401 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 452 1 25 LEU HB3 1 30 LEU MD2 3.870 . 3.870 3.390 2.887 3.895 0.025 10 0 "[ . 1 . 2 . 3 . 4]" 1 453 1 25 LEU HB3 1 68 PHE HZ 5.040 . 5.040 4.146 3.527 5.045 0.005 18 0 "[ . 1 . 2 . 3 . 4]" 1 454 1 25 LEU HB3 1 130 PHE QE 5.020 . 5.020 3.293 2.891 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 455 1 25 LEU HB3 1 133 PHE QD 4.090 . 4.090 3.126 2.285 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 456 1 25 LEU HB3 1 133 PHE QE 4.600 . 4.600 3.419 2.810 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 457 1 25 LEU QD 1 26 LYS H 4.290 . 4.290 4.203 4.124 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 458 1 25 LEU QD 1 30 LEU HB2 4.120 . 4.120 2.760 2.557 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 459 1 25 LEU QD 1 30 LEU HB3 4.410 . 4.410 3.681 3.464 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 460 1 25 LEU QD 1 30 LEU MD1 3.590 . 3.590 3.164 2.820 3.707 0.117 32 0 "[ . 1 . 2 . 3 . 4]" 1 461 1 25 LEU QD 1 30 LEU MD2 3.480 . 3.480 3.073 2.728 3.531 0.051 40 0 "[ . 1 . 2 . 3 . 4]" 1 462 1 25 LEU QD 1 31 ASP H 4.440 . 4.440 3.339 3.143 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 463 1 25 LEU QD 1 32 VAL HA 4.740 . 4.740 3.094 2.878 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 464 1 25 LEU QD 1 35 CYS H 4.500 . 4.500 3.759 3.656 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 465 1 25 LEU QD 1 35 CYS HA 4.950 . 4.950 3.988 3.684 4.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 466 1 25 LEU QD 1 35 CYS QB 3.430 . 3.430 2.101 1.921 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 467 1 25 LEU QD 1 61 THR MG 4.360 . 4.360 4.297 4.103 4.409 0.049 23 0 "[ . 1 . 2 . 3 . 4]" 1 468 1 25 LEU QD 1 65 ILE HA 4.560 . 4.560 3.930 3.652 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 469 1 25 LEU QD 1 65 ILE MG 3.930 . 3.930 2.153 2.082 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 470 1 25 LEU QD 1 68 PHE QB 5.060 . 5.060 3.265 2.975 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 471 1 25 LEU QD 1 68 PHE QD 4.020 . 4.020 2.992 2.831 3.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 472 1 25 LEU QD 1 68 PHE QE 3.390 . 3.390 2.518 2.348 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 473 1 25 LEU QD 1 68 PHE HZ 3.720 . 3.720 2.584 2.203 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 474 1 25 LEU QD 1 74 ILE MD 3.010 . 3.010 2.084 1.985 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 475 1 25 LEU QD 1 74 ILE MG 3.360 . 3.360 2.469 2.288 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 476 1 25 LEU QD 1 130 PHE QE 3.680 . 3.680 2.213 1.951 2.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 477 1 25 LEU QD 1 130 PHE HZ 4.550 . 4.550 3.586 2.994 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 478 1 25 LEU QD 1 132 GLY HA2 4.390 . 4.390 3.489 3.165 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 479 1 25 LEU QD 1 133 PHE QD 3.900 . 3.900 3.767 3.527 3.933 0.033 10 0 "[ . 1 . 2 . 3 . 4]" 1 480 1 25 LEU QD 1 133 PHE QE 3.510 . 3.510 2.615 2.337 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 481 1 25 LEU QD 1 133 PHE HZ 4.640 . 4.640 3.688 3.465 4.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 482 1 25 LEU MD1 1 35 CYS HB2 5.190 . 5.190 2.959 1.964 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 483 1 25 LEU MD1 1 35 CYS HB3 5.190 . 5.190 3.574 2.833 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 484 1 25 LEU MD1 1 68 PHE QD 4.740 . 4.740 3.450 3.139 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 485 1 25 LEU MD1 1 68 PHE QE 4.220 . 4.220 3.068 2.842 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 486 1 25 LEU MD1 1 68 PHE HZ 4.590 . 4.590 3.472 3.264 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 487 1 25 LEU MD1 1 74 ILE MD 3.700 . 3.700 2.485 2.055 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 488 1 25 LEU MD1 1 74 ILE MG 3.930 . 3.930 2.830 2.429 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 489 1 25 LEU MD1 1 130 PHE QE 4.870 . 4.870 3.169 2.186 4.887 0.017 25 0 "[ . 1 . 2 . 3 . 4]" 1 490 1 25 LEU MD1 1 132 GLY HA2 5.450 . 5.450 4.093 3.597 5.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 491 1 25 LEU MD1 1 133 PHE QD 4.920 . 4.920 4.200 3.626 4.923 0.003 33 0 "[ . 1 . 2 . 3 . 4]" 1 492 1 25 LEU MD1 1 133 PHE QE 4.650 . 4.650 3.046 2.346 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 493 1 25 LEU MD2 1 35 CYS HB2 5.190 . 5.190 2.810 2.207 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 494 1 25 LEU MD2 1 35 CYS HB3 5.190 . 5.190 3.346 2.646 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 495 1 25 LEU MD2 1 68 PHE QD 4.740 . 4.740 3.487 2.903 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 496 1 25 LEU MD2 1 68 PHE QE 4.220 . 4.220 2.752 2.433 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 497 1 25 LEU MD2 1 68 PHE HZ 4.590 . 4.590 2.825 2.226 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 498 1 25 LEU MD2 1 74 ILE MD 3.700 . 3.700 2.372 2.085 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 499 1 25 LEU MD2 1 74 ILE MG 3.930 . 3.930 3.153 2.337 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 500 1 25 LEU MD2 1 130 PHE QE 4.870 . 4.870 3.588 1.953 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 501 1 25 LEU MD2 1 132 GLY HA2 5.450 . 5.450 4.005 3.218 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 502 1 25 LEU MD2 1 133 PHE QD 4.920 . 4.920 4.610 3.699 5.001 0.081 1 0 "[ . 1 . 2 . 3 . 4]" 1 503 1 25 LEU MD2 1 133 PHE QE 4.650 . 4.650 3.954 2.668 4.679 0.029 2 0 "[ . 1 . 2 . 3 . 4]" 1 504 1 25 LEU HG 1 35 CYS QB 5.340 . 5.340 3.395 2.538 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 505 1 25 LEU HG 1 68 PHE HZ 5.160 . 5.160 4.370 2.721 5.195 0.035 6 0 "[ . 1 . 2 . 3 . 4]" 1 506 1 25 LEU HG 1 74 ILE MD 4.810 . 4.810 4.004 3.735 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 507 1 25 LEU HG 1 133 PHE QD 5.000 . 5.000 4.602 4.231 5.019 0.019 33 0 "[ . 1 . 2 . 3 . 4]" 1 508 1 26 LYS H 1 26 LYS HB2 3.570 . 3.570 2.202 2.002 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 509 1 26 LYS H 1 26 LYS HB3 3.570 . 3.570 3.493 3.206 3.581 0.011 33 0 "[ . 1 . 2 . 3 . 4]" 1 510 1 26 LYS H 1 26 LYS QD 4.420 . 4.420 3.951 3.490 4.434 0.014 38 0 "[ . 1 . 2 . 3 . 4]" 1 511 1 26 LYS H 1 26 LYS QE 5.440 . 5.440 4.858 4.357 5.491 0.051 17 0 "[ . 1 . 2 . 3 . 4]" 1 512 1 26 LYS H 1 26 LYS HG2 4.490 . 4.490 4.047 3.820 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 513 1 26 LYS H 1 26 LYS HG3 3.870 . 3.870 2.987 2.539 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 514 1 26 LYS H 1 27 ILE H 4.490 . 4.490 4.515 4.501 4.528 0.038 21 0 "[ . 1 . 2 . 3 . 4]" 1 515 1 26 LYS H 1 30 LEU HA 4.210 . 4.210 2.843 2.742 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 516 1 26 LYS H 1 30 LEU MD2 3.940 . 3.940 3.986 3.957 4.029 0.089 31 0 "[ . 1 . 2 . 3 . 4]" 1 517 1 26 LYS H 1 31 ASP H 4.820 . 4.820 4.150 3.941 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 518 1 26 LYS H 1 132 GLY HA2 5.500 . 5.500 5.123 5.001 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 519 1 26 LYS H 1 133 PHE QD 5.220 . 5.220 4.636 4.417 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 520 1 26 LYS HA 1 26 LYS QD 4.240 . 4.240 3.982 3.839 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 521 1 26 LYS HA 1 26 LYS HG2 4.000 . 4.000 2.444 2.155 2.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 522 1 26 LYS HA 1 26 LYS HG3 4.190 . 4.190 2.791 2.456 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 523 1 26 LYS HA 1 27 ILE H 3.140 . 3.140 2.151 2.098 2.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 524 1 26 LYS HA 1 27 ILE HA 4.590 . 4.590 4.328 4.152 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 525 1 26 LYS HA 1 133 PHE H 3.880 . 3.880 2.952 2.641 3.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 526 1 26 LYS HA 1 133 PHE HB2 4.070 . 4.070 3.167 2.766 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 527 1 26 LYS HA 1 133 PHE HB3 5.500 . 5.500 4.804 4.294 5.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 528 1 26 LYS HA 1 133 PHE QD 4.360 . 4.360 3.809 3.557 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 529 1 26 LYS QB 1 26 LYS QE 3.950 . 3.950 3.343 1.931 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 530 1 26 LYS QB 1 27 ILE H 3.790 . 3.790 3.233 3.086 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 531 1 26 LYS QB 1 29 ASN QB 3.770 . 3.770 3.480 3.057 3.820 0.050 6 0 "[ . 1 . 2 . 3 . 4]" 1 532 1 26 LYS HB2 1 26 LYS QE 4.500 . 4.500 3.862 3.065 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 533 1 26 LYS HB2 1 27 ILE H 4.590 . 4.590 4.338 4.227 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 534 1 26 LYS HB2 1 29 ASN HB2 4.970 . 4.970 4.303 3.549 4.975 0.005 16 0 "[ . 1 . 2 . 3 . 4]" 1 535 1 26 LYS HB2 1 29 ASN HB3 4.970 . 4.970 4.378 3.359 4.979 0.009 6 0 "[ . 1 . 2 . 3 . 4]" 1 536 1 26 LYS HB3 1 26 LYS QE 4.500 . 4.500 3.733 1.952 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 537 1 26 LYS HB3 1 27 ILE H 4.590 . 4.590 3.336 3.168 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 538 1 26 LYS HB3 1 29 ASN HB2 4.970 . 4.970 4.314 3.528 5.007 0.037 6 0 "[ . 1 . 2 . 3 . 4]" 1 539 1 26 LYS HB3 1 29 ASN HB3 4.970 . 4.970 4.917 3.687 4.989 0.019 8 0 "[ . 1 . 2 . 3 . 4]" 1 540 1 26 LYS QD 1 27 ILE H 5.460 . 5.460 5.110 4.579 5.469 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1 541 1 26 LYS QD 1 28 ASP QB 5.170 . 5.170 4.228 3.618 5.198 0.028 39 0 "[ . 1 . 2 . 3 . 4]" 1 542 1 26 LYS QD 1 29 ASN QB 4.550 . 4.550 3.973 3.367 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 543 1 26 LYS HG2 1 27 ILE H 4.430 . 4.430 3.913 3.261 4.440 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1 544 1 26 LYS HG3 1 27 ILE H 5.070 . 5.070 4.780 4.320 5.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 545 1 26 LYS HG3 1 133 PHE HB2 5.500 . 5.500 4.707 3.698 5.507 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 1 546 1 27 ILE H 1 27 ILE HB 3.260 . 3.260 2.400 2.277 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 547 1 27 ILE H 1 27 ILE MD 4.390 . 4.390 4.339 4.045 4.391 0.001 18 0 "[ . 1 . 2 . 3 . 4]" 1 548 1 27 ILE H 1 27 ILE HG12 4.590 . 4.590 4.587 4.556 4.602 0.012 32 0 "[ . 1 . 2 . 3 . 4]" 1 549 1 27 ILE H 1 27 ILE QG 3.980 . 3.980 3.959 3.929 3.984 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1 550 1 27 ILE H 1 27 ILE HG13 4.590 . 4.590 4.327 4.281 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 551 1 27 ILE H 1 27 ILE MG 3.220 . 3.220 2.228 2.134 2.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 552 1 27 ILE H 1 30 LEU MD2 4.430 . 4.430 4.210 4.098 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 553 1 27 ILE H 1 133 PHE H 4.030 . 4.030 2.976 2.826 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 554 1 27 ILE H 1 133 PHE HB2 4.660 . 4.660 3.913 3.688 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 555 1 27 ILE H 1 133 PHE HB3 5.410 . 5.410 5.132 4.869 5.429 0.019 11 0 "[ . 1 . 2 . 3 . 4]" 1 556 1 27 ILE HA 1 27 ILE HG12 3.930 . 3.930 3.176 3.086 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 557 1 27 ILE HA 1 27 ILE HG13 3.930 . 3.930 2.311 2.262 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 558 1 27 ILE HA 1 27 ILE MG 3.380 . 3.380 3.266 3.232 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 559 1 27 ILE HA 1 28 ASP HA 4.870 . 4.870 4.748 4.643 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 560 1 27 ILE HA 1 30 LEU H 5.500 . 5.500 5.498 5.297 5.531 0.031 39 0 "[ . 1 . 2 . 3 . 4]" 1 561 1 27 ILE HA 1 30 LEU MD1 5.410 . 5.410 5.223 5.093 5.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 562 1 27 ILE HA 1 30 LEU MD2 3.560 . 3.560 2.497 2.395 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 563 1 27 ILE HA 1 30 LEU HG 4.830 . 4.830 4.458 4.223 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 564 1 27 ILE HA 1 131 VAL MG2 5.110 . 5.110 5.051 4.845 5.133 0.023 16 0 "[ . 1 . 2 . 3 . 4]" 1 565 1 27 ILE HA 1 132 GLY HA3 4.390 . 4.390 2.253 2.055 2.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 566 1 27 ILE HB 1 27 ILE MD 3.060 . 3.060 2.341 2.159 2.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 567 1 27 ILE HB 1 28 ASP H 4.350 . 4.350 4.049 3.999 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 568 1 27 ILE HB 1 131 VAL MG2 5.090 . 5.090 4.786 4.641 5.195 0.105 39 0 "[ . 1 . 2 . 3 . 4]" 1 569 1 27 ILE HB 1 132 GLY HA2 5.070 . 5.070 4.320 4.133 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 570 1 27 ILE HB 1 132 GLY HA3 4.570 . 4.570 2.869 2.585 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 571 1 27 ILE HB 1 133 PHE H 4.850 . 4.850 3.593 3.276 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 572 1 27 ILE HB 1 134 ARG HA 3.960 . 3.960 3.122 2.675 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 573 1 27 ILE MD 1 27 ILE MG 2.740 . 2.740 2.172 2.133 2.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 574 1 27 ILE MD 1 131 VAL H 5.190 . 5.190 4.188 3.881 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 575 1 27 ILE MD 1 131 VAL HB 4.390 . 4.390 4.088 3.770 4.391 0.001 39 0 "[ . 1 . 2 . 3 . 4]" 1 576 1 27 ILE MD 1 133 PHE H 5.500 . 5.500 4.999 4.043 5.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 577 1 27 ILE MD 1 134 ARG QB 4.130 . 4.130 3.166 2.310 4.427 0.297 39 0 "[ . 1 . 2 . 3 . 4]" 1 578 1 27 ILE MD 1 134 ARG QD 3.900 . 3.900 3.336 2.239 3.986 0.086 33 0 "[ . 1 . 2 . 3 . 4]" 1 579 1 27 ILE MD 1 134 ARG QG 3.750 . 3.750 2.664 2.135 3.758 0.008 19 0 "[ . 1 . 2 . 3 . 4]" 1 580 1 27 ILE QG 1 27 ILE MG 3.330 . 3.330 2.293 2.131 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 581 1 27 ILE QG 1 28 ASP H 4.680 . 4.680 3.977 3.766 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 582 1 27 ILE QG 1 131 VAL MG2 3.880 . 3.880 3.328 3.240 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 583 1 27 ILE QG 1 132 GLY HA3 4.210 . 4.210 3.223 3.040 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 584 1 27 ILE QG 1 133 PHE H 5.130 . 5.130 5.136 4.824 5.188 0.058 13 0 "[ . 1 . 2 . 3 . 4]" 1 585 1 27 ILE QG 1 134 ARG HA 4.700 . 4.700 4.575 4.172 4.716 0.016 27 0 "[ . 1 . 2 . 3 . 4]" 1 586 1 27 ILE HG12 1 131 VAL MG2 4.420 . 4.420 4.476 4.434 4.507 0.087 30 0 "[ . 1 . 2 . 3 . 4]" 1 587 1 27 ILE HG12 1 132 GLY HA3 5.040 . 5.040 4.725 4.527 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 588 1 27 ILE HG12 1 134 ARG HA 5.430 . 5.430 4.995 4.461 5.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 589 1 27 ILE HG13 1 131 VAL MG2 4.420 . 4.420 3.432 3.330 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 590 1 27 ILE HG13 1 132 GLY HA3 5.040 . 5.040 3.281 3.089 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 591 1 27 ILE HG13 1 134 ARG HA 5.430 . 5.430 5.311 4.773 5.445 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1 592 1 27 ILE MG 1 28 ASP H 3.560 . 3.560 2.323 2.220 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 593 1 27 ILE MG 1 28 ASP HA 3.860 . 3.860 3.400 3.291 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 594 1 27 ILE MG 1 28 ASP HB2 4.420 . 4.420 3.310 2.855 4.429 0.009 38 0 "[ . 1 . 2 . 3 . 4]" 1 595 1 27 ILE MG 1 28 ASP QB 3.780 . 3.780 3.135 2.784 3.795 0.015 38 0 "[ . 1 . 2 . 3 . 4]" 1 596 1 27 ILE MG 1 28 ASP HB3 4.420 . 4.420 3.957 3.336 4.424 0.004 40 0 "[ . 1 . 2 . 3 . 4]" 1 597 1 27 ILE MG 1 132 GLY HA3 4.320 . 4.320 4.320 4.153 4.400 0.080 34 0 "[ . 1 . 2 . 3 . 4]" 1 598 1 27 ILE MG 1 133 PHE H 4.440 . 4.440 4.470 4.414 4.516 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 1 599 1 27 ILE MG 1 134 ARG HA 3.470 . 3.470 2.035 1.934 2.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 600 1 27 ILE MG 1 134 ARG QB 4.440 . 4.440 3.288 2.432 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 601 1 27 ILE MG 1 134 ARG QD 4.730 . 4.730 4.056 2.230 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 602 1 27 ILE MG 1 134 ARG QG 3.720 . 3.720 2.546 2.181 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 603 1 29 ASN HA 1 30 LEU H 3.430 . 3.430 2.238 2.197 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 604 1 29 ASN HA 1 30 LEU HB3 4.900 . 4.900 4.904 4.853 4.925 0.025 31 0 "[ . 1 . 2 . 3 . 4]" 1 605 1 29 ASN HA 1 30 LEU HG 4.810 . 4.810 4.019 3.919 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 606 1 29 ASN QB 1 30 LEU H 3.840 . 3.840 3.802 3.626 3.950 0.110 16 0 "[ . 1 . 2 . 3 . 4]" 1 607 1 29 ASN HB2 1 30 LEU H 4.690 . 4.690 4.613 4.016 4.693 0.003 3 0 "[ . 1 . 2 . 3 . 4]" 1 608 1 29 ASN HB3 1 30 LEU H 4.690 . 4.690 4.074 3.800 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 609 1 30 LEU H 1 30 LEU HB2 3.730 . 3.730 3.738 3.732 3.750 0.020 16 0 "[ . 1 . 2 . 3 . 4]" 1 610 1 30 LEU H 1 30 LEU HB3 3.540 . 3.540 3.209 3.098 3.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 611 1 30 LEU H 1 30 LEU MD1 3.600 . 3.600 3.217 3.091 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 612 1 30 LEU H 1 30 LEU MD2 3.670 . 3.670 3.623 3.471 3.694 0.024 32 0 "[ . 1 . 2 . 3 . 4]" 1 613 1 30 LEU H 1 30 LEU HG 3.230 . 3.230 2.109 2.038 2.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 614 1 30 LEU H 1 31 ASP H 4.730 . 4.730 4.517 4.467 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 615 1 30 LEU HA 1 30 LEU MD1 3.950 . 3.950 3.817 3.796 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 616 1 30 LEU HA 1 31 ASP H 3.130 . 3.130 2.182 2.125 2.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 617 1 30 LEU HB2 1 30 LEU MD1 3.190 . 3.190 2.233 2.207 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 618 1 30 LEU HB2 1 30 LEU MD2 3.270 . 3.270 2.529 2.482 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 619 1 30 LEU HB2 1 31 ASP H 4.190 . 4.190 2.544 2.413 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 620 1 30 LEU HB2 1 31 ASP HA 5.070 . 5.070 4.419 4.286 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 621 1 30 LEU HB2 1 68 PHE QE 5.110 . 5.110 4.479 4.362 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 622 1 30 LEU HB2 1 68 PHE HZ 5.020 . 5.020 3.434 3.294 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 623 1 30 LEU HB3 1 30 LEU MD1 3.320 . 3.320 3.166 3.141 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 624 1 30 LEU HB3 1 30 LEU MD2 3.510 . 3.510 2.098 2.065 2.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 625 1 30 LEU HB3 1 31 ASP H 4.690 . 4.690 3.583 3.494 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 626 1 30 LEU MD1 1 31 ASP H 4.440 . 4.440 3.722 3.632 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 627 1 30 LEU MD1 1 31 ASP HA 4.730 . 4.730 3.722 3.439 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 628 1 30 LEU MD1 1 32 VAL H 4.920 . 4.920 3.757 3.320 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 629 1 30 LEU MD1 1 68 PHE QD 5.440 . 5.440 5.000 4.878 5.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 630 1 30 LEU MD1 1 68 PHE QE 3.460 . 3.460 3.259 3.130 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 631 1 30 LEU MD1 1 68 PHE HZ 3.370 . 3.370 2.153 2.055 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 632 1 30 LEU MD1 1 70 VAL HB 4.800 . 4.800 4.423 4.107 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 633 1 30 LEU MD1 1 70 VAL MG1 3.820 . 3.820 3.837 3.601 3.952 0.132 19 0 "[ . 1 . 2 . 3 . 4]" 1 634 1 30 LEU MD1 1 70 VAL QG 3.090 . 3.090 2.769 2.543 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 635 1 30 LEU MD1 1 70 VAL MG2 3.820 . 3.820 2.841 2.589 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 636 1 30 LEU MD2 1 31 ASP H 4.990 . 4.990 4.665 4.526 4.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 637 1 30 LEU MD2 1 68 PHE QD 5.210 . 5.210 4.421 4.285 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 638 1 30 LEU MD2 1 68 PHE QE 3.460 . 3.460 2.504 2.381 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 639 1 30 LEU MD2 1 68 PHE HZ 3.380 . 3.380 2.171 2.097 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 640 1 30 LEU MD2 1 132 GLY HA2 4.150 . 4.150 2.970 2.795 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 641 1 30 LEU MD2 1 132 GLY HA3 2.980 . 2.980 2.695 2.438 2.980 0.000 11 0 "[ . 1 . 2 . 3 . 4]" 1 642 1 30 LEU MD2 1 133 PHE H 4.630 . 4.630 4.263 4.116 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 643 1 30 LEU MD2 1 133 PHE QD 5.500 . 5.500 5.360 5.116 5.518 0.018 36 0 "[ . 1 . 2 . 3 . 4]" 1 644 1 30 LEU HG 1 31 ASP H 4.860 . 4.860 4.864 4.830 4.874 0.014 30 0 "[ . 1 . 2 . 3 . 4]" 1 645 1 31 ASP H 1 31 ASP HB2 4.000 . 4.000 3.112 2.372 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 646 1 31 ASP H 1 31 ASP QB 3.510 . 3.510 2.507 2.330 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 647 1 31 ASP H 1 31 ASP HB3 4.000 . 4.000 2.694 2.554 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 648 1 31 ASP H 1 32 VAL H 4.530 . 4.530 4.164 3.956 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 649 1 31 ASP HA 1 32 VAL H 3.320 . 3.320 2.151 2.098 2.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 650 1 31 ASP HA 1 32 VAL HB 4.590 . 4.590 4.356 4.283 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 651 1 31 ASP HA 1 32 VAL MG1 4.280 . 4.280 4.075 3.967 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 652 1 31 ASP HA 1 33 ASN H 4.300 . 4.300 3.831 3.695 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 653 1 31 ASP QB 1 32 VAL H 4.330 . 4.330 3.863 3.633 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 654 1 31 ASP QB 1 34 ARG H 4.150 . 4.150 3.272 2.429 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 655 1 31 ASP QB 1 34 ARG QB 4.410 . 4.410 2.744 2.363 3.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 656 1 31 ASP HB2 1 32 VAL H 4.920 . 4.920 4.379 3.973 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 657 1 31 ASP HB2 1 34 ARG H 4.770 . 4.770 4.615 4.034 4.776 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 1 658 1 31 ASP HB3 1 32 VAL H 4.920 . 4.920 4.310 3.894 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 659 1 31 ASP HB3 1 34 ARG H 4.770 . 4.770 3.349 2.449 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 660 1 32 VAL H 1 32 VAL HB 3.490 . 3.490 2.315 2.243 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 661 1 32 VAL H 1 32 VAL MG1 2.950 . 2.950 2.419 2.303 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 662 1 32 VAL H 1 32 VAL MG2 3.940 . 3.940 3.689 3.632 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 663 1 32 VAL H 1 33 ASN H 3.480 . 3.480 2.775 2.530 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 664 1 32 VAL H 1 34 ARG H 4.720 . 4.720 4.628 4.410 4.733 0.013 22 0 "[ . 1 . 2 . 3 . 4]" 1 665 1 32 VAL H 1 74 ILE MD 4.750 . 4.750 4.809 4.754 4.867 0.117 12 0 "[ . 1 . 2 . 3 . 4]" 1 666 1 32 VAL HA 1 32 VAL MG1 3.230 . 3.230 3.248 3.237 3.254 0.024 39 0 "[ . 1 . 2 . 3 . 4]" 1 667 1 32 VAL HA 1 32 VAL MG2 3.150 . 3.150 2.286 2.257 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 668 1 32 VAL HA 1 35 CYS H 4.080 . 4.080 3.767 3.590 4.087 0.007 33 0 "[ . 1 . 2 . 3 . 4]" 1 669 1 32 VAL HA 1 35 CYS HB2 4.400 . 4.400 3.953 3.769 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 670 1 32 VAL HA 1 35 CYS QB 3.840 . 3.840 3.166 2.976 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 671 1 32 VAL HA 1 35 CYS HB3 4.400 . 4.400 3.336 3.112 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 672 1 32 VAL HA 1 36 ILE H 4.840 . 4.840 4.423 4.275 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 673 1 32 VAL HA 1 36 ILE MD 4.480 . 4.480 4.386 4.326 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 674 1 32 VAL HA 1 36 ILE QG 4.960 . 4.960 4.169 4.055 4.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 675 1 32 VAL HA 1 68 PHE QE 4.860 . 4.860 3.554 3.398 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 676 1 32 VAL HA 1 74 ILE MD 3.190 . 3.190 2.445 2.288 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 677 1 32 VAL HB 1 33 ASN H 4.100 . 4.100 3.991 3.947 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 678 1 32 VAL HB 1 36 ILE MD 4.580 . 4.580 4.582 4.513 4.623 0.043 19 0 "[ . 1 . 2 . 3 . 4]" 1 679 1 32 VAL HB 1 74 ILE MD 3.970 . 3.970 3.861 3.795 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 680 1 32 VAL MG1 1 33 ASN H 3.420 . 3.420 2.320 2.205 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 681 1 32 VAL MG1 1 33 ASN HA 4.110 . 4.110 2.997 2.874 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 682 1 32 VAL MG1 1 34 ARG H 4.930 . 4.930 4.508 4.378 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 683 1 32 VAL MG1 1 36 ILE QG 3.720 . 3.720 3.832 3.759 3.889 0.169 30 0 "[ . 1 . 2 . 3 . 4]" 1 684 1 32 VAL MG2 1 33 ASN H 4.210 . 4.210 4.031 3.919 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 685 1 32 VAL MG2 1 33 ASN HA 4.290 . 4.290 3.978 3.900 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 686 1 32 VAL MG2 1 36 ILE H 4.670 . 4.670 4.163 4.064 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 687 1 32 VAL MG2 1 36 ILE MD 2.670 . 2.670 2.219 2.146 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 688 1 32 VAL MG2 1 36 ILE QG 3.330 . 3.330 2.690 2.583 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 689 1 32 VAL MG2 1 68 PHE QD 4.140 . 4.140 4.022 3.848 4.155 0.015 40 0 "[ . 1 . 2 . 3 . 4]" 1 690 1 32 VAL MG2 1 68 PHE QE 3.830 . 3.830 2.861 2.537 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 691 1 32 VAL MG2 1 70 VAL QG 3.980 . 3.980 3.461 3.088 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 692 1 32 VAL MG2 1 71 SER H 4.990 . 4.990 4.809 4.596 5.000 0.010 40 0 "[ . 1 . 2 . 3 . 4]" 1 693 1 32 VAL MG2 1 71 SER HB2 4.140 . 4.140 2.151 2.012 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 694 1 32 VAL MG2 1 71 SER QB 3.540 . 3.540 2.108 1.981 2.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 695 1 32 VAL MG2 1 71 SER HB3 4.140 . 4.140 3.036 2.959 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 696 1 32 VAL MG2 1 71 SER HG 4.140 . 4.140 1.945 1.804 2.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 697 1 32 VAL MG2 1 74 ILE MD 2.950 . 2.950 1.977 1.919 2.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 698 1 32 VAL MG2 1 74 ILE QG 4.420 . 4.420 2.798 2.589 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 699 1 33 ASN H 1 33 ASN HB2 3.600 . 3.600 2.378 2.244 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 700 1 33 ASN H 1 33 ASN QB 3.020 . 3.020 2.261 2.171 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 701 1 33 ASN H 1 33 ASN HB3 3.600 . 3.600 3.077 2.489 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 702 1 33 ASN H 1 33 ASN HD22 4.400 . 4.400 4.405 4.370 4.432 0.032 4 0 "[ . 1 . 2 . 3 . 4]" 1 703 1 33 ASN H 1 34 ARG H 3.360 . 3.360 2.643 2.517 2.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 704 1 33 ASN H 1 34 ARG QB 4.570 . 4.570 4.509 4.281 4.606 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 705 1 33 ASN H 1 35 CYS H 4.700 . 4.700 4.119 3.981 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 706 1 33 ASN H 1 36 ILE HB 5.460 . 5.460 5.241 5.018 5.469 0.009 33 0 "[ . 1 . 2 . 3 . 4]" 1 707 1 33 ASN H 1 36 ILE MD 4.390 . 4.390 4.245 4.037 4.395 0.005 38 0 "[ . 1 . 2 . 3 . 4]" 1 708 1 33 ASN H 1 74 ILE MD 5.350 . 5.350 5.074 4.967 5.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 709 1 33 ASN HA 1 33 ASN HD22 4.910 . 4.910 2.486 1.809 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 710 1 33 ASN HA 1 35 CYS H 4.820 . 4.820 4.203 4.089 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 711 1 33 ASN HA 1 36 ILE H 4.170 . 4.170 3.222 3.073 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 712 1 33 ASN HA 1 36 ILE HA 5.500 . 5.500 5.248 5.021 5.507 0.007 33 0 "[ . 1 . 2 . 3 . 4]" 1 713 1 33 ASN HA 1 36 ILE HB 3.750 . 3.750 2.550 2.273 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 714 1 33 ASN HA 1 36 ILE MD 3.320 . 3.320 2.382 2.217 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 715 1 33 ASN HA 1 36 ILE MG 4.230 . 4.230 4.004 3.786 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 716 1 33 ASN HA 1 37 GLU H 4.370 . 4.370 4.061 3.848 4.377 0.007 12 0 "[ . 1 . 2 . 3 . 4]" 1 717 1 33 ASN QB 1 34 ARG H 3.410 . 3.410 2.592 2.423 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 718 1 33 ASN QB 1 36 ILE MD 5.190 . 5.190 4.047 3.765 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 719 1 33 ASN HB2 1 34 ARG H 3.890 . 3.890 3.272 2.641 3.892 0.002 38 0 "[ . 1 . 2 . 3 . 4]" 1 720 1 33 ASN HB3 1 34 ARG H 3.890 . 3.890 3.065 2.452 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 721 1 33 ASN HD22 1 36 ILE MD 4.280 . 4.280 3.301 2.793 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 722 1 33 ASN HD22 1 36 ILE MG 4.870 . 4.870 4.263 3.530 4.879 0.009 3 0 "[ . 1 . 2 . 3 . 4]" 1 723 1 34 ARG H 1 34 ARG QB 3.120 . 3.120 2.272 2.027 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 724 1 34 ARG H 1 34 ARG HD2 5.170 . 5.170 4.220 2.684 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 725 1 34 ARG H 1 34 ARG QD 4.300 . 4.300 3.771 2.658 4.330 0.030 39 0 "[ . 1 . 2 . 3 . 4]" 1 726 1 34 ARG H 1 34 ARG HD3 5.170 . 5.170 4.508 3.117 5.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 727 1 34 ARG H 1 34 ARG HG2 4.830 . 4.830 3.924 2.504 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 728 1 34 ARG H 1 34 ARG QG 4.100 . 4.100 2.941 2.104 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 729 1 34 ARG H 1 34 ARG HG3 4.830 . 4.830 3.146 2.123 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 730 1 34 ARG H 1 35 CYS H 3.390 . 3.390 2.693 2.610 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 731 1 34 ARG H 1 36 ILE H 4.660 . 4.660 4.156 4.051 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 732 1 34 ARG HA 1 34 ARG QD 4.460 . 4.460 3.471 1.985 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 733 1 34 ARG HA 1 34 ARG HG2 4.050 . 4.050 2.893 2.343 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 734 1 34 ARG HA 1 34 ARG QG 3.450 . 3.450 2.454 2.169 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 735 1 34 ARG HA 1 34 ARG HG3 4.050 . 4.050 2.853 2.229 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 736 1 34 ARG HA 1 36 ILE H 4.900 . 4.900 4.411 4.249 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 737 1 34 ARG QB 1 35 CYS H 3.460 . 3.460 2.768 2.533 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 738 1 34 ARG QB 1 35 CYS QB 5.340 . 5.340 4.017 3.913 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 739 1 34 ARG HE 1 34 ARG HG2 4.030 . 4.030 2.810 2.418 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 740 1 34 ARG HE 1 34 ARG QG 3.500 . 3.500 2.322 1.988 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 741 1 34 ARG HE 1 34 ARG HG3 4.030 . 4.030 2.775 2.007 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 742 1 34 ARG QG 1 35 CYS H 4.660 . 4.660 4.232 3.805 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 743 1 34 ARG HG2 1 35 CYS H 5.370 . 5.370 5.063 4.216 5.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 744 1 34 ARG HG3 1 35 CYS H 5.370 . 5.370 4.574 4.023 5.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 745 1 35 CYS H 1 35 CYS HB2 3.550 . 3.550 2.534 2.446 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 746 1 35 CYS H 1 35 CYS HB3 3.550 . 3.550 2.552 2.495 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 747 1 35 CYS H 1 35 CYS HG 5.340 . 5.340 4.581 4.542 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 748 1 35 CYS H 1 36 ILE H 3.690 . 3.690 2.561 2.484 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 749 1 35 CYS H 1 36 ILE MD 5.420 . 5.420 5.105 4.955 5.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 750 1 35 CYS H 1 36 ILE QG 4.490 . 4.490 4.315 4.081 4.494 0.004 38 0 "[ . 1 . 2 . 3 . 4]" 1 751 1 35 CYS H 1 37 GLU H 4.690 . 4.690 4.284 4.187 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 752 1 35 CYS H 1 74 ILE MD 4.320 . 4.320 3.952 3.789 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 753 1 35 CYS HA 1 36 ILE HA 4.980 . 4.980 4.808 4.789 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 754 1 35 CYS HA 1 38 ALA H 4.120 . 4.120 3.591 3.483 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 755 1 35 CYS HA 1 38 ALA MB 3.370 . 3.370 2.785 2.586 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 756 1 35 CYS QB 1 36 ILE H 4.020 . 4.020 2.565 2.489 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 757 1 35 CYS QB 1 74 ILE MD 3.340 . 3.340 2.081 2.019 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 758 1 35 CYS HB2 1 74 ILE MD 3.930 . 3.930 3.095 2.884 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 759 1 35 CYS HB3 1 74 ILE MD 3.930 . 3.930 2.115 2.058 2.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 760 1 35 CYS HG 1 36 ILE H 4.860 . 4.860 3.983 3.884 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 761 1 35 CYS HG 1 39 LEU H 4.740 . 4.740 3.851 3.636 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 762 1 35 CYS HG 1 39 LEU MD1 3.920 . 3.920 2.230 2.086 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 763 1 35 CYS HG 1 39 LEU QD 3.200 . 3.200 2.204 1.846 2.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 764 1 35 CYS HG 1 39 LEU MD2 3.920 . 3.920 3.562 2.057 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 765 1 35 CYS HG 1 74 ILE MG 4.090 . 4.090 3.346 3.087 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 766 1 36 ILE H 1 36 ILE HB 3.260 . 3.260 2.453 2.400 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 767 1 36 ILE H 1 36 ILE MD 3.610 . 3.610 3.534 3.475 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 768 1 36 ILE H 1 36 ILE HG12 4.030 . 4.030 3.683 3.565 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 769 1 36 ILE H 1 36 ILE QG 3.540 . 3.540 2.315 2.192 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 770 1 36 ILE H 1 36 ILE HG13 4.030 . 4.030 2.340 2.213 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 771 1 36 ILE H 1 36 ILE MG 3.780 . 3.780 3.800 3.786 3.806 0.026 14 0 "[ . 1 . 2 . 3 . 4]" 1 772 1 36 ILE H 1 37 GLU H 3.590 . 3.590 2.819 2.760 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 773 1 36 ILE H 1 74 ILE MD 3.980 . 3.980 3.576 3.370 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 774 1 36 ILE H 1 74 ILE QG 4.540 . 4.540 3.855 3.700 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 775 1 36 ILE HA 1 36 ILE MD 3.920 . 3.920 3.899 3.878 3.924 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1 776 1 36 ILE HA 1 36 ILE QG 3.650 . 3.650 2.385 2.353 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 777 1 36 ILE HA 1 36 ILE MG 3.250 . 3.250 2.522 2.487 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 778 1 36 ILE HA 1 39 LEU H 4.240 . 4.240 3.527 3.390 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 779 1 36 ILE HA 1 39 LEU HB2 4.570 . 4.570 2.764 2.670 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 780 1 36 ILE HA 1 39 LEU QB 3.690 . 3.690 2.735 2.641 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 781 1 36 ILE HA 1 39 LEU HB3 4.570 . 4.570 4.376 4.168 4.570 0.000 33 0 "[ . 1 . 2 . 3 . 4]" 1 782 1 36 ILE HA 1 39 LEU QD 3.450 . 3.450 2.544 2.332 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 783 1 36 ILE HA 1 39 LEU HG 5.370 . 5.370 4.013 3.664 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 784 1 36 ILE HA 1 40 ASP H 4.580 . 4.580 4.266 4.007 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 785 1 36 ILE HA 1 73 VAL QG 4.630 . 4.630 3.887 3.674 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 786 1 36 ILE HA 1 74 ILE HA 4.910 . 4.910 4.427 4.194 4.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 787 1 36 ILE HA 1 74 ILE MD 4.960 . 4.960 4.408 4.190 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 788 1 36 ILE HA 1 74 ILE QG 4.880 . 4.880 3.370 3.148 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 789 1 36 ILE HB 1 36 ILE MD 3.210 . 3.210 2.402 2.385 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 790 1 36 ILE HB 1 37 GLU H 3.590 . 3.590 2.717 2.623 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 791 1 36 ILE HB 1 38 ALA H 5.500 . 5.500 5.140 5.029 5.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 792 1 36 ILE MD 1 37 GLU H 4.820 . 4.820 4.676 4.595 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 793 1 36 ILE MD 1 71 SER HG 4.590 . 4.590 2.933 2.537 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 794 1 36 ILE MD 1 73 VAL H 5.050 . 5.050 4.610 4.262 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 795 1 36 ILE MD 1 73 VAL HA 5.330 . 5.330 5.161 5.024 5.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 796 1 36 ILE MD 1 73 VAL HB 3.860 . 3.860 2.686 2.503 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 797 1 36 ILE MD 1 73 VAL QG 3.410 . 3.410 2.367 2.281 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 798 1 36 ILE MD 1 74 ILE H 4.570 . 4.570 4.244 3.971 4.571 0.001 40 0 "[ . 1 . 2 . 3 . 4]" 1 799 1 36 ILE MD 1 77 LYS HE2 4.840 . 4.840 4.813 4.495 4.860 0.020 12 0 "[ . 1 . 2 . 3 . 4]" 1 800 1 36 ILE MD 1 77 LYS HE3 4.840 . 4.840 4.592 4.046 4.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 801 1 36 ILE QG 1 36 ILE MG 3.230 . 3.230 2.275 2.255 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 802 1 36 ILE QG 1 73 VAL QG 4.450 . 4.450 2.332 2.226 2.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 803 1 36 ILE QG 1 74 ILE HA 5.340 . 5.340 3.741 3.566 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 804 1 36 ILE QG 1 74 ILE MD 4.490 . 4.490 2.772 2.578 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 805 1 36 ILE QG 1 74 ILE QG 4.520 . 4.520 2.388 2.227 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 806 1 36 ILE MG 1 37 GLU H 3.640 . 3.640 3.292 3.204 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 807 1 36 ILE MG 1 37 GLU HA 3.860 . 3.860 3.209 3.114 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 808 1 36 ILE MG 1 38 ALA H 5.470 . 5.470 4.969 4.898 5.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 809 1 36 ILE MG 1 40 ASP H 4.130 . 4.130 4.109 3.893 4.172 0.042 3 0 "[ . 1 . 2 . 3 . 4]" 1 810 1 36 ILE MG 1 74 ILE HA 5.500 . 5.500 5.062 4.837 5.507 0.007 32 0 "[ . 1 . 2 . 3 . 4]" 1 811 1 36 ILE MG 1 77 LYS QD 3.840 . 3.840 2.676 2.471 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 812 1 36 ILE MG 1 77 LYS HE2 3.820 . 3.820 3.123 2.894 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 813 1 36 ILE MG 1 77 LYS QE 3.140 . 3.140 2.080 1.998 2.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 814 1 36 ILE MG 1 77 LYS HE3 3.820 . 3.820 2.113 2.012 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 815 1 37 GLU H 1 37 GLU HB2 3.650 . 3.650 3.619 3.072 3.662 0.012 30 0 "[ . 1 . 2 . 3 . 4]" 1 816 1 37 GLU H 1 37 GLU QB 3.060 . 3.060 2.552 2.461 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 817 1 37 GLU H 1 37 GLU HB3 3.650 . 3.650 2.633 2.503 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 818 1 37 GLU H 1 37 GLU HG2 3.810 . 3.810 2.273 2.076 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 819 1 37 GLU H 1 37 GLU QG 3.160 . 3.160 2.154 1.785 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 820 1 37 GLU H 1 37 GLU HG3 3.810 . 3.810 3.295 1.880 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 821 1 37 GLU H 1 38 ALA H 3.390 . 3.390 2.696 2.635 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 822 1 37 GLU H 1 38 ALA MB 4.490 . 4.490 4.376 4.282 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 823 1 37 GLU H 1 39 LEU H 5.000 . 5.000 4.178 4.131 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 824 1 37 GLU HA 1 40 ASP H 4.080 . 4.080 3.230 3.080 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 825 1 37 GLU HA 1 40 ASP HB2 4.200 . 4.200 2.627 2.380 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 826 1 37 GLU HA 1 40 ASP QB 3.660 . 3.660 2.562 2.358 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 827 1 37 GLU HA 1 40 ASP HB3 4.200 . 4.200 3.706 3.083 4.206 0.006 15 0 "[ . 1 . 2 . 3 . 4]" 1 828 1 37 GLU QB 1 38 ALA H 3.550 . 3.550 3.502 2.609 3.572 0.022 16 0 "[ . 1 . 2 . 3 . 4]" 1 829 1 37 GLU HB2 1 38 ALA H 4.170 . 4.170 3.858 2.645 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 830 1 37 GLU HB3 1 38 ALA H 4.170 . 4.170 4.050 3.982 4.172 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1 831 1 37 GLU QG 1 38 ALA MB 4.390 . 4.390 3.250 3.008 4.495 0.105 12 0 "[ . 1 . 2 . 3 . 4]" 1 832 1 37 GLU HG2 1 38 ALA H 4.610 . 4.610 2.790 2.380 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 833 1 37 GLU HG3 1 38 ALA H 4.610 . 4.610 2.623 2.174 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 834 1 38 ALA H 1 38 ALA MB 2.890 . 2.890 2.235 2.193 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 835 1 38 ALA H 1 39 LEU H 3.370 . 3.370 2.636 2.568 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 836 1 38 ALA H 1 39 LEU QD 5.440 . 5.440 4.834 3.952 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 837 1 38 ALA H 1 40 ASP H 4.500 . 4.500 4.053 3.961 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 838 1 38 ALA H 1 41 GLU H 5.500 . 5.500 4.814 4.729 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 839 1 38 ALA HA 1 41 GLU H 3.900 . 3.900 3.475 3.344 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 840 1 38 ALA HA 1 41 GLU QB 3.920 . 3.920 2.867 2.593 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 841 1 38 ALA HA 1 42 LEU H 4.770 . 4.770 4.234 4.135 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 842 1 38 ALA MB 1 39 LEU H 3.340 . 3.340 2.602 2.501 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 843 1 38 ALA MB 1 39 LEU QD 3.750 . 3.750 3.765 2.611 3.861 0.111 10 0 "[ . 1 . 2 . 3 . 4]" 1 844 1 38 ALA MB 1 40 ASP H 4.830 . 4.830 4.519 4.446 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 845 1 38 ALA MB 1 41 GLU H 5.180 . 5.180 4.670 4.576 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 846 1 38 ALA MB 1 42 LEU H 5.170 . 5.170 4.728 4.670 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 847 1 38 ALA MB 1 42 LEU QD 5.440 . 5.440 4.444 4.157 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 848 1 39 LEU H 1 39 LEU QB 3.230 . 3.230 2.311 2.059 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 849 1 39 LEU H 1 39 LEU MD1 3.800 . 3.800 3.503 2.247 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 850 1 39 LEU H 1 39 LEU QD 3.330 . 3.330 3.206 2.201 3.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 851 1 39 LEU H 1 39 LEU MD2 3.800 . 3.800 3.725 3.138 3.812 0.012 21 0 "[ . 1 . 2 . 3 . 4]" 1 852 1 39 LEU H 1 39 LEU HG 3.790 . 3.790 2.594 2.445 3.850 0.060 28 0 "[ . 1 . 2 . 3 . 4]" 1 853 1 39 LEU H 1 40 ASP H 3.600 . 3.600 2.620 2.565 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 854 1 39 LEU HA 1 39 LEU MD1 3.990 . 3.990 3.835 2.202 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 855 1 39 LEU HA 1 39 LEU QD 2.940 . 2.940 2.070 2.038 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 856 1 39 LEU HA 1 39 LEU MD2 3.990 . 3.990 2.119 2.045 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 857 1 39 LEU HA 1 39 LEU HG 4.180 . 4.180 2.889 2.812 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 858 1 39 LEU HA 1 42 LEU H 4.150 . 4.150 3.343 3.249 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 859 1 39 LEU HA 1 42 LEU HB2 4.710 . 4.710 2.933 2.389 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 860 1 39 LEU HA 1 42 LEU QB 3.940 . 3.940 2.527 2.333 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 861 1 39 LEU HA 1 42 LEU HB3 4.710 . 4.710 2.858 2.593 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 862 1 39 LEU HA 1 42 LEU QD 3.940 . 3.940 3.141 2.848 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 863 1 39 LEU HA 1 81 LEU QD 4.170 . 4.170 3.124 2.330 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 864 1 39 LEU QB 1 39 LEU QD 2.750 . 2.750 1.937 1.924 2.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 865 1 39 LEU QB 1 40 ASP H 3.500 . 3.500 2.739 2.640 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 866 1 39 LEU QB 1 77 LYS QB 4.560 . 4.560 2.377 2.178 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 867 1 39 LEU QB 1 81 LEU QD 3.810 . 3.810 2.630 2.315 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 868 1 39 LEU HB2 1 40 ASP H 4.280 . 4.280 2.829 2.711 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 869 1 39 LEU HB3 1 40 ASP H 4.280 . 4.280 3.667 3.407 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 870 1 39 LEU QD 1 41 GLU H 5.440 . 5.440 5.493 5.275 5.534 0.094 17 0 "[ . 1 . 2 . 3 . 4]" 1 871 1 39 LEU QD 1 42 LEU QB 4.020 . 4.020 3.298 3.117 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 872 1 39 LEU QD 1 42 LEU QD 3.540 . 3.540 2.644 2.379 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 873 1 39 LEU QD 1 42 LEU HG 5.440 . 5.440 4.746 4.454 5.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 874 1 39 LEU QD 1 62 LEU QD 3.010 . 3.010 2.195 2.081 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 875 1 39 LEU QD 1 74 ILE H 5.370 . 5.370 4.747 4.518 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 876 1 39 LEU QD 1 74 ILE HA 3.350 . 3.350 2.548 2.294 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 877 1 39 LEU QD 1 74 ILE HB 4.670 . 4.670 4.330 4.158 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 878 1 39 LEU QD 1 74 ILE MD 4.500 . 4.500 3.614 3.393 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 879 1 39 LEU QD 1 74 ILE QG 3.790 . 3.790 2.518 2.253 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 880 1 39 LEU QD 1 74 ILE MG 3.980 . 3.980 2.154 2.085 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 881 1 39 LEU QD 1 75 MET HA 5.290 . 5.290 4.949 4.676 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 882 1 39 LEU QD 1 77 LYS H 4.380 . 4.380 4.005 3.853 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 883 1 39 LEU QD 1 77 LYS HA 5.130 . 5.130 4.287 4.124 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 884 1 39 LEU QD 1 77 LYS QB 3.220 . 3.220 2.119 2.030 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 885 1 39 LEU QD 1 77 LYS QG 5.280 . 5.280 3.791 3.657 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 886 1 39 LEU QD 1 78 SER H 3.820 . 3.820 3.071 2.821 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 887 1 39 LEU QD 1 78 SER QB 4.210 . 4.210 2.772 2.495 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 888 1 39 LEU QD 1 81 LEU H 5.440 . 5.440 4.535 4.174 5.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 889 1 39 LEU QD 1 81 LEU QD 3.560 . 3.560 2.285 2.001 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 890 1 39 LEU MD1 1 40 ASP H 4.820 . 4.820 4.640 4.460 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 891 1 39 LEU MD1 1 77 LYS QB 4.030 . 4.030 2.203 2.075 4.062 0.032 28 0 "[ . 1 . 2 . 3 . 4]" 1 892 1 39 LEU MD1 1 78 SER H 4.930 . 4.930 3.228 2.906 4.943 0.013 28 0 "[ . 1 . 2 . 3 . 4]" 1 893 1 39 LEU MD2 1 40 ASP H 4.820 . 4.820 4.823 4.511 4.848 0.028 37 0 "[ . 1 . 2 . 3 . 4]" 1 894 1 39 LEU MD2 1 77 LYS QB 4.030 . 4.030 3.134 2.036 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 895 1 39 LEU MD2 1 78 SER H 4.930 . 4.930 3.991 3.370 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 896 1 39 LEU HG 1 62 LEU QD 5.440 . 5.440 4.383 3.225 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 897 1 39 LEU HG 1 74 ILE MG 5.470 . 5.470 4.360 4.239 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 898 1 39 LEU HG 1 81 LEU QD 5.440 . 5.440 4.427 2.403 5.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 899 1 40 ASP H 1 40 ASP HB2 3.620 . 3.620 2.151 2.095 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 900 1 40 ASP H 1 40 ASP QB 3.160 . 3.160 2.121 2.069 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 901 1 40 ASP H 1 40 ASP HB3 3.620 . 3.620 3.269 2.952 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 902 1 40 ASP H 1 41 GLU H 3.450 . 3.450 2.588 2.522 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 903 1 40 ASP H 1 42 LEU H 4.710 . 4.710 4.003 3.908 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 904 1 40 ASP H 1 42 LEU QB 5.340 . 5.340 4.725 4.591 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 905 1 40 ASP H 1 43 ALA MB 5.300 . 5.300 4.850 4.678 5.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 906 1 40 ASP HA 1 43 ALA H 3.920 . 3.920 3.132 2.914 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 907 1 40 ASP HA 1 43 ALA MB 3.010 . 3.010 2.604 2.362 3.023 0.013 17 0 "[ . 1 . 2 . 3 . 4]" 1 908 1 40 ASP HA 1 81 LEU QD 5.170 . 5.170 3.984 3.716 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 909 1 40 ASP QB 1 41 GLU H 3.530 . 3.530 2.784 2.584 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 910 1 40 ASP HB2 1 41 GLU H 4.040 . 4.040 3.269 2.954 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 911 1 40 ASP HB3 1 41 GLU H 4.040 . 4.040 3.096 2.664 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 912 1 41 GLU H 1 41 GLU QB 3.170 . 3.170 2.242 2.031 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 913 1 41 GLU H 1 41 GLU HG2 4.680 . 4.680 4.463 3.234 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 914 1 41 GLU H 1 41 GLU QG 4.070 . 4.070 3.951 3.086 4.072 0.002 38 0 "[ . 1 . 2 . 3 . 4]" 1 915 1 41 GLU H 1 41 GLU HG3 4.680 . 4.680 4.426 3.904 4.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 916 1 41 GLU H 1 42 LEU H 3.460 . 3.460 2.604 2.547 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 917 1 41 GLU H 1 43 ALA H 4.280 . 4.280 4.040 3.890 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 918 1 41 GLU H 1 43 ALA MB 5.500 . 5.500 4.900 4.760 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 919 1 41 GLU H 1 44 SER H 5.500 . 5.500 4.793 4.704 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 920 1 41 GLU HA 1 41 GLU HG2 3.960 . 3.960 3.265 2.411 3.975 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1 921 1 41 GLU HA 1 41 GLU HG3 3.960 . 3.960 2.921 2.535 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 922 1 41 GLU HA 1 44 SER H 5.280 . 5.280 3.377 3.238 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 923 1 41 GLU QB 1 42 LEU H 3.630 . 3.630 2.530 2.452 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 924 1 41 GLU QB 1 42 LEU QD 5.170 . 5.170 4.620 4.182 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 925 1 41 GLU QG 1 42 LEU H 4.450 . 4.450 3.729 3.114 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 926 1 41 GLU HG2 1 42 LEU H 5.150 . 5.150 4.252 3.917 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 927 1 41 GLU HG3 1 42 LEU H 5.150 . 5.150 4.391 3.204 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 928 1 42 LEU H 1 42 LEU HB2 3.650 . 3.650 2.241 2.017 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 929 1 42 LEU H 1 42 LEU QB 3.180 . 3.180 2.130 1.989 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 930 1 42 LEU H 1 42 LEU HB3 3.650 . 3.650 2.742 2.584 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 931 1 42 LEU H 1 42 LEU MD1 4.450 . 4.450 4.001 3.907 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 932 1 42 LEU H 1 42 LEU QD 3.860 . 3.860 3.643 3.571 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 933 1 42 LEU H 1 42 LEU MD2 4.450 . 4.450 4.195 4.121 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 934 1 42 LEU H 1 42 LEU HG 4.580 . 4.580 4.415 3.766 4.587 0.007 6 0 "[ . 1 . 2 . 3 . 4]" 1 935 1 42 LEU H 1 43 ALA H 3.620 . 3.620 2.729 2.668 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 936 1 42 LEU H 1 43 ALA MB 5.410 . 5.410 4.432 4.374 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 937 1 42 LEU H 1 45 LEU QD 4.890 . 4.890 4.442 4.251 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 938 1 42 LEU H 1 45 LEU HG 5.500 . 5.500 4.771 4.514 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 939 1 42 LEU H 1 81 LEU QD 4.960 . 4.960 4.081 3.898 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 940 1 42 LEU HA 1 42 LEU MD1 3.940 . 3.940 2.486 2.067 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 941 1 42 LEU HA 1 42 LEU QD 2.900 . 2.900 2.121 2.059 2.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 942 1 42 LEU HA 1 42 LEU MD2 3.940 . 3.940 3.498 2.162 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 943 1 42 LEU HA 1 45 LEU HB2 5.120 . 5.120 2.861 2.672 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 944 1 42 LEU HA 1 45 LEU QB 4.310 . 4.310 2.826 2.645 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 945 1 42 LEU HA 1 45 LEU HB3 5.120 . 5.120 4.407 4.258 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 946 1 42 LEU HA 1 45 LEU MD1 4.490 . 4.490 2.469 2.235 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 947 1 42 LEU HA 1 45 LEU QD 3.330 . 3.330 2.457 2.230 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 948 1 42 LEU HA 1 45 LEU MD2 4.490 . 4.490 4.507 4.077 4.559 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1 949 1 42 LEU HA 1 45 LEU HG 4.190 . 4.190 3.050 2.465 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 950 1 42 LEU QB 1 42 LEU QD 2.710 . 2.710 1.961 1.946 1.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 951 1 42 LEU QB 1 43 ALA H 3.560 . 3.560 2.693 2.602 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 952 1 42 LEU QB 1 62 LEU QD 5.280 . 5.280 3.920 3.753 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 953 1 42 LEU QB 1 81 LEU QD 3.400 . 3.400 2.323 1.842 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 954 1 42 LEU HB2 1 43 ALA H 4.220 . 4.220 3.747 3.333 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 955 1 42 LEU HB2 1 81 LEU MD1 4.560 . 4.560 3.850 3.114 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 956 1 42 LEU HB2 1 81 LEU MD2 4.560 . 4.560 4.156 3.048 4.609 0.049 32 0 "[ . 1 . 2 . 3 . 4]" 1 957 1 42 LEU HB3 1 43 ALA H 4.220 . 4.220 2.766 2.648 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 958 1 42 LEU HB3 1 81 LEU MD1 4.560 . 4.560 2.575 2.124 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 959 1 42 LEU HB3 1 81 LEU MD2 4.560 . 4.560 2.770 1.957 3.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 960 1 42 LEU QD 1 43 ALA H 4.270 . 4.270 4.108 3.889 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 961 1 42 LEU QD 1 43 ALA MB 5.440 . 5.440 4.559 4.280 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 962 1 42 LEU QD 1 44 SER H 5.440 . 5.440 5.229 4.955 5.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 963 1 42 LEU QD 1 45 LEU H 4.600 . 4.600 4.307 3.921 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 964 1 42 LEU QD 1 45 LEU QB 3.850 . 3.850 2.945 2.582 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 965 1 42 LEU QD 1 45 LEU QD 2.890 . 2.890 2.468 2.224 2.976 0.086 28 0 "[ . 1 . 2 . 3 . 4]" 1 966 1 42 LEU QD 1 45 LEU HG 4.670 . 4.670 4.077 3.434 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 967 1 42 LEU QD 1 58 MET ME 2.730 . 2.730 2.212 2.055 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 968 1 42 LEU QD 1 58 MET QG 3.620 . 3.620 2.810 2.620 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 969 1 42 LEU QD 1 62 LEU H 5.440 . 5.440 5.338 5.042 5.470 0.030 3 0 "[ . 1 . 2 . 3 . 4]" 1 970 1 42 LEU QD 1 62 LEU QD 2.740 . 2.740 2.135 1.976 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 971 1 42 LEU QD 1 62 LEU HG 4.560 . 4.560 3.519 3.296 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 972 1 42 LEU QD 1 81 LEU H 5.440 . 5.440 5.414 4.932 5.537 0.097 3 0 "[ . 1 . 2 . 3 . 4]" 1 973 1 42 LEU QD 1 81 LEU QB 4.090 . 4.090 2.912 2.786 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 974 1 42 LEU QD 1 81 LEU QD 3.010 . 3.010 2.253 1.802 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 975 1 42 LEU QD 1 81 LEU HG 4.790 . 4.790 3.062 1.830 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 976 1 42 LEU QD 1 85 PHE QD 4.200 . 4.200 3.867 3.661 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 977 1 42 LEU QD 1 85 PHE QE 3.250 . 3.250 2.155 1.999 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 978 1 42 LEU QD 1 85 PHE HZ 3.680 . 3.680 2.110 1.946 2.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 979 1 42 LEU MD1 1 43 ALA H 5.500 . 5.500 4.681 4.567 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 980 1 42 LEU MD1 1 58 MET ME 3.250 . 3.250 2.392 2.115 3.311 0.061 11 0 "[ . 1 . 2 . 3 . 4]" 1 981 1 42 LEU MD1 1 58 MET QG 5.030 . 5.030 3.499 2.651 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 982 1 42 LEU MD1 1 85 PHE QD 4.930 . 4.930 4.768 4.065 5.029 0.099 13 0 "[ . 1 . 2 . 3 . 4]" 1 983 1 42 LEU MD1 1 85 PHE QE 3.790 . 3.790 2.960 2.374 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 984 1 42 LEU MD2 1 43 ALA H 5.500 . 5.500 4.560 4.182 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 985 1 42 LEU MD2 1 58 MET ME 3.250 . 3.250 2.912 2.178 3.347 0.097 36 0 "[ . 1 . 2 . 3 . 4]" 1 986 1 42 LEU MD2 1 58 MET QG 5.030 . 5.030 3.191 2.709 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 987 1 42 LEU MD2 1 85 PHE QD 4.930 . 4.930 4.103 3.917 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 988 1 42 LEU MD2 1 85 PHE QE 3.790 . 3.790 2.224 2.072 2.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 989 1 42 LEU HG 1 43 ALA H 5.220 . 5.220 4.472 4.115 5.220 . 38 0 "[ . 1 . 2 . 3 . 4]" 1 990 1 42 LEU HG 1 45 LEU QD 5.440 . 5.440 4.243 3.252 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 991 1 42 LEU HG 1 62 LEU QD 5.440 . 5.440 3.968 3.669 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 992 1 42 LEU HG 1 81 LEU MD1 4.290 . 4.290 3.074 2.144 4.357 0.067 28 0 "[ . 1 . 2 . 3 . 4]" 1 993 1 42 LEU HG 1 81 LEU MD2 4.290 . 4.290 3.494 2.109 4.518 0.228 39 0 "[ . 1 . 2 . 3 . 4]" 1 994 1 42 LEU HG 1 85 PHE QE 4.360 . 4.360 3.168 2.352 4.426 0.066 39 0 "[ . 1 . 2 . 3 . 4]" 1 995 1 42 LEU HG 1 85 PHE HZ 5.050 . 5.050 3.417 2.713 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 996 1 43 ALA H 1 43 ALA MB 2.780 . 2.780 2.252 2.231 2.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 997 1 43 ALA H 1 44 SER H 3.500 . 3.500 2.493 2.435 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 998 1 43 ALA H 1 45 LEU H 4.620 . 4.620 3.871 3.791 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 999 1 43 ALA H 1 45 LEU QD 5.440 . 5.440 5.178 5.040 5.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1000 1 43 ALA H 1 81 LEU MD1 3.830 . 3.830 3.366 3.071 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1001 1 43 ALA H 1 81 LEU QD 3.360 . 3.360 2.887 2.813 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1002 1 43 ALA H 1 81 LEU MD2 3.830 . 3.830 3.169 2.935 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1003 1 43 ALA HA 1 45 LEU H 3.750 . 3.750 3.779 3.765 3.795 0.045 4 0 "[ . 1 . 2 . 3 . 4]" 1 1004 1 43 ALA HA 1 80 MET ME 4.140 . 4.140 3.442 2.646 4.151 0.011 15 0 "[ . 1 . 2 . 3 . 4]" 1 1005 1 43 ALA HA 1 81 LEU MD1 4.290 . 4.290 3.059 2.172 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1006 1 43 ALA HA 1 81 LEU QD 2.860 . 2.860 2.212 2.117 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1007 1 43 ALA HA 1 81 LEU MD2 4.290 . 4.290 2.834 2.127 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1008 1 43 ALA HA 1 84 LYS QE 5.000 . 5.000 3.973 3.069 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1009 1 43 ALA MB 1 44 SER H 3.470 . 3.470 2.661 2.609 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1010 1 43 ALA MB 1 45 LEU H 4.380 . 4.380 4.298 4.271 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1011 1 43 ALA MB 1 80 MET ME 3.130 . 3.130 2.268 2.055 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1012 1 43 ALA MB 1 81 LEU MD1 3.370 . 3.370 2.891 2.500 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1013 1 43 ALA MB 1 81 LEU QD 2.860 . 2.860 2.240 2.045 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1014 1 43 ALA MB 1 81 LEU MD2 3.370 . 3.370 2.357 2.101 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1015 1 44 SER H 1 44 SER HB2 4.070 . 4.070 2.521 2.478 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1016 1 44 SER H 1 44 SER QB 3.330 . 3.330 2.442 2.253 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1017 1 44 SER H 1 44 SER HB3 4.070 . 4.070 3.529 2.453 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1018 1 44 SER H 1 45 LEU H 3.170 . 3.170 2.561 2.477 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1019 1 44 SER H 1 45 LEU MD1 5.500 . 5.500 5.400 5.144 5.546 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1 1020 1 44 SER H 1 45 LEU MD2 5.500 . 5.500 5.258 4.810 5.504 0.004 17 0 "[ . 1 . 2 . 3 . 4]" 1 1021 1 44 SER H 1 45 LEU HG 4.590 . 4.590 4.443 4.211 4.602 0.012 30 0 "[ . 1 . 2 . 3 . 4]" 1 1022 1 44 SER H 1 81 LEU QD 5.440 . 5.440 4.441 4.349 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1023 1 45 LEU H 1 45 LEU HB2 3.710 . 3.710 2.381 2.182 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1024 1 45 LEU H 1 45 LEU QB 3.130 . 3.130 2.351 2.161 2.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1025 1 45 LEU H 1 45 LEU HB3 3.710 . 3.710 3.622 3.493 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1026 1 45 LEU H 1 45 LEU MD1 4.280 . 4.280 3.903 3.758 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1027 1 45 LEU H 1 45 LEU MD2 4.280 . 4.280 3.750 3.399 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1028 1 45 LEU H 1 45 LEU HG 3.540 . 3.540 2.882 2.732 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1029 1 45 LEU H 1 46 GLN H 4.730 . 4.730 4.194 2.597 4.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1030 1 45 LEU H 1 47 VAL QG 4.850 . 4.850 4.156 3.773 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1031 1 45 LEU HA 1 45 LEU QD 2.960 . 2.960 2.088 2.010 2.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1032 1 45 LEU QB 1 45 LEU QD 2.680 . 2.680 1.946 1.913 1.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1033 1 45 LEU QB 1 47 VAL H 4.450 . 4.450 3.184 2.861 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1034 1 45 LEU QB 1 47 VAL QG 3.300 . 3.300 2.144 2.019 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1035 1 45 LEU HB2 1 45 LEU MD1 3.470 . 3.470 2.322 2.278 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1036 1 45 LEU HB2 1 45 LEU MD2 3.470 . 3.470 3.243 3.221 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1037 1 45 LEU HB3 1 45 LEU MD1 3.470 . 3.470 2.327 2.146 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1038 1 45 LEU HB3 1 45 LEU MD2 3.470 . 3.470 2.437 2.360 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1039 1 45 LEU QD 1 46 GLN H 4.620 . 4.620 3.582 3.270 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1040 1 45 LEU QD 1 47 VAL QG 4.420 . 4.420 2.737 2.442 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1041 1 45 LEU MD1 1 47 VAL H 5.500 . 5.500 4.892 4.565 5.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1042 1 45 LEU MD2 1 47 VAL H 5.500 . 5.500 5.158 4.679 5.508 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1 1043 1 46 GLN H 1 46 GLN QB 3.700 . 3.700 2.565 2.372 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1044 1 46 GLN H 1 46 GLN HG2 4.630 . 4.630 3.564 3.252 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1045 1 46 GLN H 1 46 GLN QG 4.070 . 4.070 2.486 2.378 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1046 1 46 GLN H 1 46 GLN HG3 4.630 . 4.630 2.548 2.411 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1047 1 46 GLN H 1 47 VAL H 4.540 . 4.540 3.523 2.772 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1048 1 46 GLN HA 1 46 GLN HG2 3.770 . 3.770 2.517 2.465 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1049 1 46 GLN HA 1 46 GLN QG 3.300 . 3.300 2.419 2.376 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1050 1 46 GLN HA 1 46 GLN HG3 3.770 . 3.770 3.132 3.070 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1051 1 46 GLN HA 1 47 VAL H 3.160 . 3.160 2.501 2.391 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1052 1 46 GLN QB 1 47 VAL H 4.090 . 4.090 3.914 3.895 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1053 1 46 GLN HB2 1 47 VAL H 4.680 . 4.680 4.445 4.337 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1054 1 46 GLN HB3 1 47 VAL H 4.680 . 4.680 4.349 4.264 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1055 1 46 GLN QG 1 47 VAL H 4.590 . 4.590 4.485 4.432 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1056 1 47 VAL H 1 47 VAL HB 3.120 . 3.120 2.677 2.576 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1057 1 47 VAL H 1 47 VAL MG1 3.930 . 3.930 3.631 1.813 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1058 1 47 VAL H 1 47 VAL QG 2.960 . 2.960 1.893 1.712 2.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1059 1 47 VAL H 1 47 VAL MG2 3.930 . 3.930 2.042 1.714 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1060 1 47 VAL H 1 48 THR H 4.630 . 4.630 4.627 4.606 4.641 0.011 5 0 "[ . 1 . 2 . 3 . 4]" 1 1061 1 47 VAL H 1 88 MET ME 4.290 . 4.290 4.270 4.116 4.359 0.069 9 0 "[ . 1 . 2 . 3 . 4]" 1 1062 1 47 VAL HA 1 47 VAL MG1 3.220 . 3.220 2.385 2.253 3.236 0.016 26 0 "[ . 1 . 2 . 3 . 4]" 1 1063 1 47 VAL HA 1 47 VAL MG2 3.220 . 3.220 2.486 2.413 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1064 1 47 VAL HA 1 48 THR H 3.000 . 3.000 2.226 2.161 2.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1065 1 47 VAL HA 1 48 THR MG 4.070 . 4.070 3.634 3.404 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1066 1 47 VAL HA 1 51 GLN QB 4.580 . 4.580 3.533 3.108 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1067 1 47 VAL HB 1 48 THR H 4.240 . 4.240 3.884 3.440 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1068 1 47 VAL HB 1 85 PHE QE 4.730 . 4.730 2.782 2.264 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1069 1 47 VAL HB 1 85 PHE HZ 4.830 . 4.830 3.825 3.097 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1070 1 47 VAL HB 1 88 MET ME 4.010 . 4.010 2.510 2.162 4.132 0.122 37 0 "[ . 1 . 2 . 3 . 4]" 1 1071 1 47 VAL QG 1 48 THR H 3.150 . 3.150 2.385 2.091 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1072 1 47 VAL QG 1 51 GLN H 4.160 . 4.160 3.764 3.624 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1073 1 47 VAL QG 1 51 GLN QB 3.030 . 3.030 2.067 1.956 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1074 1 47 VAL QG 1 51 GLN QE 4.300 . 4.300 3.882 3.351 4.306 0.006 13 0 "[ . 1 . 2 . 3 . 4]" 1 1075 1 47 VAL QG 1 51 GLN QG 4.050 . 4.050 3.686 3.241 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1076 1 47 VAL QG 1 52 ALA H 3.470 . 3.470 2.694 2.547 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1077 1 47 VAL QG 1 52 ALA HA 4.200 . 4.200 2.960 2.692 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1078 1 47 VAL QG 1 52 ALA MB 3.060 . 3.060 2.453 2.169 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1079 1 47 VAL QG 1 54 LYS H 5.440 . 5.440 5.428 5.085 5.509 0.069 1 0 "[ . 1 . 2 . 3 . 4]" 1 1080 1 47 VAL QG 1 58 MET ME 3.930 . 3.930 3.231 2.957 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1081 1 47 VAL QG 1 85 PHE QD 4.140 . 4.140 3.691 3.404 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1082 1 47 VAL QG 1 85 PHE QE 3.180 . 3.180 2.083 1.999 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1083 1 47 VAL QG 1 85 PHE HZ 3.940 . 3.940 2.489 2.224 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1084 1 47 VAL QG 1 88 MET ME 3.140 . 3.140 2.500 1.842 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1085 1 47 VAL QG 1 89 PHE QE 5.440 . 5.440 5.323 4.911 5.531 0.091 9 0 "[ . 1 . 2 . 3 . 4]" 1 1086 1 47 VAL MG1 1 48 THR H 4.000 . 4.000 2.524 2.097 4.054 0.054 7 0 "[ . 1 . 2 . 3 . 4]" 1 1087 1 47 VAL MG1 1 52 ALA HA 5.200 . 5.200 3.112 2.712 4.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1088 1 47 VAL MG1 1 52 ALA MB 4.520 . 4.520 2.555 2.283 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1089 1 47 VAL MG1 1 85 PHE QD 5.010 . 5.010 3.867 3.681 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1090 1 47 VAL MG1 1 85 PHE QE 3.720 . 3.720 2.159 2.039 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1091 1 47 VAL MG1 1 88 MET ME 4.320 . 4.320 2.557 2.004 3.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1092 1 47 VAL MG2 1 48 THR H 4.000 . 4.000 3.937 2.283 4.105 0.105 8 0 "[ . 1 . 2 . 3 . 4]" 1 1093 1 47 VAL MG2 1 52 ALA HA 5.200 . 5.200 4.793 2.713 5.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1094 1 47 VAL MG2 1 52 ALA MB 4.520 . 4.520 4.211 2.195 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1095 1 47 VAL MG2 1 85 PHE QD 5.010 . 5.010 4.722 3.864 4.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1096 1 47 VAL MG2 1 85 PHE QE 3.720 . 3.720 2.911 2.278 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1097 1 47 VAL MG2 1 88 MET ME 4.320 . 4.320 3.659 2.086 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1098 1 48 THR H 1 48 THR MG 2.990 . 2.990 2.176 1.944 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1099 1 48 THR H 1 51 GLN H 4.210 . 4.210 3.566 3.331 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1100 1 48 THR H 1 51 GLN HA 5.500 . 5.500 5.242 4.886 5.503 0.003 38 0 "[ . 1 . 2 . 3 . 4]" 1 1101 1 48 THR H 1 51 GLN HB2 4.280 . 4.280 2.317 1.905 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1102 1 48 THR H 1 51 GLN QB 3.570 . 3.570 2.295 1.895 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1103 1 48 THR H 1 51 GLN HB3 4.280 . 4.280 3.731 3.339 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1104 1 48 THR H 1 51 GLN QE 4.620 . 4.620 4.000 2.589 4.651 0.031 33 0 "[ . 1 . 2 . 3 . 4]" 1 1105 1 48 THR H 1 52 ALA H 4.460 . 4.460 4.025 3.618 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1106 1 48 THR H 1 88 MET ME 4.590 . 4.590 3.859 3.448 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1107 1 48 THR HA 1 48 THR MG 3.310 . 3.310 2.805 2.410 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1108 1 48 THR HA 1 49 MET H 3.340 . 3.340 2.399 2.353 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1109 1 48 THR HA 1 50 GLN H 4.840 . 4.840 4.432 4.306 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1110 1 48 THR HA 1 88 MET ME 3.700 . 3.700 3.119 2.731 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1111 1 48 THR HB 1 49 MET H 3.860 . 3.860 2.941 2.189 3.863 0.003 20 0 "[ . 1 . 2 . 3 . 4]" 1 1112 1 48 THR HB 1 51 GLN H 4.690 . 4.690 4.124 3.557 4.704 0.014 27 0 "[ . 1 . 2 . 3 . 4]" 1 1113 1 48 THR HB 1 88 MET ME 4.990 . 4.990 4.921 4.463 5.046 0.056 4 0 "[ . 1 . 2 . 3 . 4]" 1 1114 1 48 THR HG1 1 50 GLN H 4.410 . 4.410 3.244 2.666 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1115 1 48 THR HG1 1 51 GLN H 4.470 . 4.470 3.337 2.319 4.482 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1 1116 1 48 THR MG 1 49 MET H 3.700 . 3.700 3.632 3.209 3.726 0.026 19 0 "[ . 1 . 2 . 3 . 4]" 1 1117 1 48 THR MG 1 49 MET QB 4.460 . 4.460 4.596 3.949 4.883 0.423 6 0 "[ . 1 . 2 . 3 . 4]" 1 1118 1 48 THR MG 1 50 GLN H 4.060 . 4.060 3.455 2.225 4.113 0.053 21 0 "[ . 1 . 2 . 3 . 4]" 1 1119 1 48 THR MG 1 50 GLN QB 3.970 . 3.970 3.281 2.321 4.012 0.042 18 0 "[ . 1 . 2 . 3 . 4]" 1 1120 1 48 THR MG 1 51 GLN H 3.930 . 3.930 2.882 1.788 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1121 1 48 THR MG 1 51 GLN HB2 4.460 . 4.460 3.075 2.479 3.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1122 1 48 THR MG 1 51 GLN QB 3.810 . 3.810 3.010 2.446 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1123 1 48 THR MG 1 51 GLN HB3 4.460 . 4.460 4.304 3.746 4.626 0.166 18 0 "[ . 1 . 2 . 3 . 4]" 1 1124 1 48 THR MG 1 51 GLN QE 4.230 . 4.230 3.354 1.721 4.316 0.086 31 0 "[ . 1 . 2 . 3 . 4]" 1 1125 1 48 THR MG 1 51 GLN HG2 5.020 . 5.020 4.022 2.287 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1126 1 48 THR MG 1 51 GLN QG 4.170 . 4.170 2.686 2.085 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1127 1 48 THR MG 1 51 GLN HG3 5.020 . 5.020 2.740 2.186 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1128 1 48 THR MG 1 88 MET ME 4.770 . 4.770 4.558 4.336 4.804 0.034 9 0 "[ . 1 . 2 . 3 . 4]" 1 1129 1 49 MET H 1 49 MET QB 3.350 . 3.350 2.168 2.092 2.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1130 1 49 MET H 1 49 MET HG2 4.490 . 4.490 4.431 4.350 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1131 1 49 MET H 1 49 MET HG3 4.580 . 4.580 4.395 4.270 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1132 1 49 MET H 1 50 GLN H 3.780 . 3.780 2.810 2.652 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1133 1 49 MET H 1 88 MET ME 4.120 . 4.120 3.574 3.104 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1134 1 49 MET HA 1 49 MET ME 4.660 . 4.660 4.511 4.200 4.677 0.017 29 0 "[ . 1 . 2 . 3 . 4]" 1 1135 1 49 MET HA 1 49 MET HG2 3.780 . 3.780 2.726 2.455 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1136 1 49 MET HA 1 49 MET HG3 3.800 . 3.800 2.868 2.584 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1137 1 49 MET HA 1 52 ALA H 4.460 . 4.460 3.561 3.405 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1138 1 49 MET HA 1 52 ALA MB 3.600 . 3.600 2.603 2.372 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1139 1 49 MET HA 1 88 MET ME 3.380 . 3.380 2.749 2.475 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1140 1 49 MET HA 1 89 PHE QE 5.020 . 5.020 3.456 3.047 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1141 1 49 MET HA 1 89 PHE HZ 4.690 . 4.690 4.062 3.685 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1142 1 49 MET QB 1 50 GLN H 3.360 . 3.360 2.404 2.290 2.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1143 1 49 MET QB 1 52 ALA MB 4.970 . 4.970 4.366 4.174 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1144 1 49 MET QB 1 89 PHE HZ 5.500 . 5.500 5.069 4.807 5.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1145 1 49 MET ME 1 49 MET HG2 3.160 . 3.160 2.297 2.225 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1146 1 49 MET ME 1 50 GLN HA 4.410 . 4.410 3.408 2.373 4.417 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 1 1147 1 49 MET ME 1 50 GLN HE21 4.660 . 4.660 3.358 2.674 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1148 1 49 MET ME 1 50 GLN HE22 4.660 . 4.660 2.743 2.209 3.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1149 1 49 MET ME 1 50 GLN QG 4.800 . 4.800 3.381 2.482 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1150 1 49 MET ME 1 53 GLN HB2 4.090 . 4.090 3.553 3.063 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1151 1 49 MET ME 1 53 GLN HE21 4.870 . 4.870 3.953 2.640 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1152 1 49 MET ME 1 53 GLN HE22 4.870 . 4.870 4.465 2.348 4.967 0.097 1 0 "[ . 1 . 2 . 3 . 4]" 1 1153 1 49 MET ME 1 53 GLN HG3 4.080 . 4.080 4.071 3.799 4.140 0.060 23 0 "[ . 1 . 2 . 3 . 4]" 1 1154 1 49 MET ME 1 89 PHE QD 3.610 . 3.610 3.068 2.365 3.615 0.005 13 0 "[ . 1 . 2 . 3 . 4]" 1 1155 1 49 MET ME 1 89 PHE QE 3.740 . 3.740 2.396 2.095 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1156 1 49 MET ME 1 89 PHE HZ 4.810 . 4.810 3.888 3.629 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1157 1 49 MET ME 1 111 TYR QD 4.680 . 4.680 4.794 4.714 4.890 0.210 12 0 "[ . 1 . 2 . 3 . 4]" 1 1158 1 49 MET ME 1 111 TYR QE 3.900 . 3.900 3.182 2.890 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1159 1 49 MET ME 1 114 PRO HD2 4.930 . 4.930 3.829 3.165 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1160 1 49 MET ME 1 114 PRO HD3 4.660 . 4.660 3.797 2.962 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1161 1 49 MET ME 1 117 VAL QG 4.510 . 4.510 4.050 3.593 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1162 1 49 MET HG2 1 50 GLN H 4.150 . 4.150 3.922 3.793 4.152 0.002 29 0 "[ . 1 . 2 . 3 . 4]" 1 1163 1 49 MET HG2 1 52 ALA MB 4.640 . 4.640 4.023 3.727 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1164 1 49 MET HG2 1 89 PHE QD 5.160 . 5.160 3.727 3.468 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1165 1 49 MET HG2 1 89 PHE QE 4.630 . 4.630 3.034 2.851 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1166 1 49 MET HG2 1 89 PHE HZ 5.170 . 5.170 3.249 3.055 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1167 1 49 MET HG3 1 50 GLN H 4.890 . 4.890 4.883 4.764 4.912 0.022 1 0 "[ . 1 . 2 . 3 . 4]" 1 1168 1 49 MET HG3 1 89 PHE QD 4.910 . 4.910 3.320 3.090 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1169 1 49 MET HG3 1 89 PHE QE 4.330 . 4.330 3.608 3.170 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1170 1 49 MET HG3 1 89 PHE HZ 4.830 . 4.830 4.245 3.612 4.837 0.007 8 0 "[ . 1 . 2 . 3 . 4]" 1 1171 1 49 MET HG3 1 111 TYR QE 5.500 . 5.500 4.602 3.790 5.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1172 1 50 GLN H 1 50 GLN HB2 3.600 . 3.600 2.310 2.035 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1173 1 50 GLN H 1 50 GLN QB 3.020 . 3.020 2.281 2.019 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1174 1 50 GLN H 1 50 GLN HB3 3.600 . 3.600 3.549 3.376 3.604 0.004 4 0 "[ . 1 . 2 . 3 . 4]" 1 1175 1 50 GLN H 1 50 GLN HG2 3.940 . 3.940 2.884 2.166 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1176 1 50 GLN H 1 50 GLN QG 3.390 . 3.390 2.705 2.150 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1177 1 50 GLN H 1 50 GLN HG3 3.940 . 3.940 3.693 3.292 3.953 0.013 24 0 "[ . 1 . 2 . 3 . 4]" 1 1178 1 50 GLN H 1 51 GLN H 3.370 . 3.370 2.712 2.593 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1179 1 50 GLN H 1 52 ALA H 4.480 . 4.480 4.140 4.051 4.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1180 1 50 GLN HA 1 50 GLN QE 5.340 . 5.340 3.386 2.658 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1181 1 50 GLN HA 1 50 GLN HG2 4.050 . 4.050 2.986 2.363 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1182 1 50 GLN HA 1 50 GLN QG 3.560 . 3.560 2.670 2.332 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1183 1 50 GLN HA 1 50 GLN HG3 4.050 . 4.050 3.453 2.478 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1184 1 50 GLN HA 1 53 GLN H 4.240 . 4.240 3.508 3.252 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1185 1 50 GLN HA 1 53 GLN HB3 4.160 . 4.160 3.211 2.850 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1186 1 50 GLN QB 1 52 ALA H 5.290 . 5.290 4.704 4.637 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1187 1 50 GLN HB2 1 51 GLN H 3.950 . 3.950 2.806 2.669 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1188 1 50 GLN HB3 1 51 GLN H 3.950 . 3.950 3.542 3.174 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1189 1 51 GLN H 1 51 GLN HB2 3.670 . 3.670 2.285 2.119 2.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1190 1 51 GLN H 1 51 GLN QB 3.100 . 3.100 2.259 2.101 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1191 1 51 GLN H 1 51 GLN HB3 3.670 . 3.670 3.558 3.453 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1192 1 51 GLN H 1 51 GLN HG2 3.940 . 3.940 3.751 2.512 3.943 0.003 8 0 "[ . 1 . 2 . 3 . 4]" 1 1193 1 51 GLN H 1 51 GLN QG 3.380 . 3.380 2.609 2.470 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1194 1 51 GLN H 1 51 GLN HG3 3.940 . 3.940 2.713 2.543 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1195 1 51 GLN H 1 52 ALA H 3.310 . 3.310 2.508 2.456 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1196 1 51 GLN H 1 52 ALA MB 4.600 . 4.600 4.158 4.097 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1197 1 51 GLN H 1 53 GLN H 4.570 . 4.570 3.969 3.871 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1198 1 51 GLN HA 1 51 GLN HG2 3.980 . 3.980 2.513 2.235 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1199 1 51 GLN HA 1 51 GLN QG 3.460 . 3.460 2.379 2.198 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1200 1 51 GLN HA 1 51 GLN HG3 3.980 . 3.980 2.979 2.761 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1201 1 51 GLN HA 1 54 LYS H 4.450 . 4.450 3.544 3.280 3.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1202 1 51 GLN HA 1 54 LYS QD 3.930 . 3.930 2.962 2.350 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1203 1 51 GLN QB 1 51 GLN QE 3.930 . 3.930 3.259 2.590 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1204 1 51 GLN QB 1 52 ALA H 3.420 . 3.420 2.568 2.445 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1205 1 51 GLN QB 1 52 ALA MB 4.240 . 4.240 3.799 3.712 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1206 1 51 GLN HB2 1 52 ALA H 4.030 . 4.030 2.644 2.503 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1207 1 51 GLN HB3 1 52 ALA H 4.030 . 4.030 3.486 3.306 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1208 1 51 GLN QG 1 52 ALA H 4.550 . 4.550 4.230 4.140 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1209 1 52 ALA H 1 52 ALA MB 2.920 . 2.920 2.201 2.171 2.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1210 1 52 ALA H 1 53 GLN H 3.550 . 3.550 2.663 2.573 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1211 1 52 ALA H 1 88 MET ME 4.460 . 4.460 3.708 3.486 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1212 1 52 ALA HA 1 54 LYS H 5.170 . 5.170 3.973 3.674 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1213 1 52 ALA HA 1 55 HIS H 4.040 . 4.040 3.435 3.307 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1214 1 52 ALA HA 1 55 HIS HB2 4.600 . 4.600 2.949 2.762 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1215 1 52 ALA HA 1 55 HIS HD2 5.100 . 5.100 3.448 2.831 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1216 1 52 ALA HA 1 59 ILE MD 4.330 . 4.330 3.409 3.089 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1217 1 52 ALA HA 1 89 PHE QE 5.500 . 5.500 4.708 4.447 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1218 1 52 ALA MB 1 53 GLN H 3.330 . 3.330 2.644 2.511 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1219 1 52 ALA MB 1 54 LYS H 4.830 . 4.830 4.432 4.323 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1220 1 52 ALA MB 1 55 HIS H 4.910 . 4.910 4.389 4.329 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1221 1 52 ALA MB 1 55 HIS HB2 4.370 . 4.370 4.346 4.157 4.394 0.024 23 0 "[ . 1 . 2 . 3 . 4]" 1 1222 1 52 ALA MB 1 56 THR MG 4.690 . 4.690 4.656 4.382 4.747 0.057 7 0 "[ . 1 . 2 . 3 . 4]" 1 1223 1 52 ALA MB 1 58 MET ME 5.500 . 5.500 4.386 3.990 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1224 1 52 ALA MB 1 59 ILE MD 3.240 . 3.240 2.111 2.055 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1225 1 52 ALA MB 1 59 ILE MG 5.500 . 5.500 4.569 4.424 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1226 1 52 ALA MB 1 85 PHE QB 5.050 . 5.050 3.484 3.093 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1227 1 52 ALA MB 1 85 PHE QD 3.490 . 3.490 2.144 2.031 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1228 1 52 ALA MB 1 85 PHE QE 3.530 . 3.530 2.395 2.047 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1229 1 52 ALA MB 1 88 MET QB 5.340 . 5.340 3.763 3.534 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1230 1 52 ALA MB 1 88 MET ME 3.110 . 3.110 2.265 2.068 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1231 1 52 ALA MB 1 89 PHE QD 4.480 . 4.480 3.885 3.550 4.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1232 1 52 ALA MB 1 89 PHE QE 3.250 . 3.250 2.122 1.979 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1233 1 52 ALA MB 1 89 PHE HZ 3.320 . 3.320 2.967 2.598 3.324 0.004 13 0 "[ . 1 . 2 . 3 . 4]" 1 1234 1 52 ALA MB 1 117 VAL QG 5.440 . 5.440 3.736 3.595 3.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1235 1 53 GLN H 1 53 GLN HB2 3.510 . 3.510 2.192 2.052 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1236 1 53 GLN H 1 53 GLN HB3 3.490 . 3.490 2.692 2.604 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1237 1 53 GLN H 1 53 GLN HG2 4.500 . 4.500 4.501 4.454 4.515 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1 1238 1 53 GLN H 1 53 GLN HG3 4.260 . 4.260 4.212 3.971 4.273 0.013 8 0 "[ . 1 . 2 . 3 . 4]" 1 1239 1 53 GLN H 1 54 LYS H 3.470 . 3.470 2.729 2.671 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1240 1 53 GLN H 1 54 LYS QB 5.070 . 5.070 4.825 4.667 4.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1241 1 53 GLN H 1 55 HIS H 4.360 . 4.360 4.099 3.978 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1242 1 53 GLN H 1 59 ILE MD 5.060 . 5.060 4.528 4.339 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1243 1 53 GLN H 1 88 MET ME 5.500 . 5.500 5.168 4.970 5.503 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1 1244 1 53 GLN H 1 89 PHE QE 4.920 . 4.920 3.904 3.702 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1245 1 53 GLN H 1 89 PHE HZ 4.150 . 4.150 2.874 2.694 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1246 1 53 GLN H 1 117 VAL QG 5.440 . 5.440 4.390 4.158 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1247 1 53 GLN HA 1 53 GLN HG3 3.920 . 3.920 2.497 2.358 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1248 1 53 GLN HA 1 56 THR MG 3.340 . 3.340 2.638 2.381 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1249 1 53 GLN HA 1 89 PHE QE 4.460 . 4.460 3.721 3.580 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1250 1 53 GLN HA 1 89 PHE HZ 4.190 . 4.190 2.489 2.341 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1251 1 53 GLN HA 1 117 VAL QG 3.510 . 3.510 2.680 2.391 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1252 1 53 GLN HB2 1 54 LYS H 4.090 . 4.090 3.855 3.625 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1253 1 53 GLN HB2 1 89 PHE QD 5.500 . 5.500 5.356 5.123 5.522 0.022 23 0 "[ . 1 . 2 . 3 . 4]" 1 1254 1 53 GLN HB2 1 89 PHE QE 4.600 . 4.600 3.257 2.892 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1255 1 53 GLN HB2 1 89 PHE HZ 4.520 . 4.520 2.437 2.202 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1256 1 53 GLN HB2 1 117 VAL QG 4.750 . 4.750 3.677 3.375 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1257 1 53 GLN HB3 1 54 LYS H 4.160 . 4.160 2.876 2.613 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1258 1 53 GLN HB3 1 54 LYS HA 4.580 . 4.580 4.233 4.059 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1259 1 53 GLN HB3 1 56 THR MG 5.120 . 5.120 4.863 4.649 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1260 1 53 GLN HB3 1 89 PHE QE 4.960 . 4.960 4.704 4.396 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1261 1 53 GLN HB3 1 89 PHE HZ 4.620 . 4.620 3.992 3.793 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1262 1 53 GLN HB3 1 117 VAL QG 5.390 . 5.390 4.462 4.262 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1263 1 53 GLN QE 1 117 VAL QG 4.610 . 4.610 3.886 3.298 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1264 1 53 GLN HG2 1 54 LYS H 4.670 . 4.670 4.429 4.124 4.674 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1 1265 1 53 GLN HG2 1 89 PHE QE 5.010 . 5.010 4.541 3.992 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1266 1 53 GLN HG2 1 89 PHE HZ 4.710 . 4.710 4.428 4.002 4.714 0.004 29 0 "[ . 1 . 2 . 3 . 4]" 1 1267 1 53 GLN HG2 1 117 VAL QG 4.160 . 4.160 3.400 2.872 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1268 1 53 GLN HG3 1 56 THR MG 4.620 . 4.620 3.846 3.512 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1269 1 53 GLN HG3 1 89 PHE QE 4.450 . 4.450 2.908 2.317 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1270 1 53 GLN HG3 1 89 PHE HZ 4.860 . 4.860 3.105 2.506 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1271 1 53 GLN HG3 1 114 PRO HD2 5.500 . 5.500 4.271 3.837 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1272 1 53 GLN HG3 1 117 VAL QG 3.640 . 3.640 2.374 2.188 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1273 1 54 LYS H 1 54 LYS QB 3.080 . 3.080 2.429 2.331 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1274 1 54 LYS H 1 54 LYS HD2 4.920 . 4.920 4.014 3.478 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1275 1 54 LYS H 1 54 LYS HD3 4.920 . 4.920 4.813 3.835 4.929 0.009 21 0 "[ . 1 . 2 . 3 . 4]" 1 1276 1 54 LYS H 1 54 LYS HG2 4.250 . 4.250 3.581 3.248 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1277 1 54 LYS H 1 54 LYS QG 3.420 . 3.420 2.339 2.163 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1278 1 54 LYS H 1 54 LYS HG3 4.250 . 4.250 2.371 2.196 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1279 1 54 LYS H 1 55 HIS H 3.090 . 3.090 2.457 2.313 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1280 1 54 LYS H 1 55 HIS HB2 4.860 . 4.860 4.535 4.319 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1281 1 54 LYS H 1 55 HIS HD2 4.280 . 4.280 3.891 3.528 4.282 0.002 1 0 "[ . 1 . 2 . 3 . 4]" 1 1282 1 54 LYS H 1 56 THR H 4.780 . 4.780 4.721 4.570 4.795 0.015 6 0 "[ . 1 . 2 . 3 . 4]" 1 1283 1 54 LYS H 1 56 THR MG 4.910 . 4.910 4.636 4.410 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1284 1 54 LYS HA 1 54 LYS HD2 4.750 . 4.750 4.665 4.581 4.769 0.019 1 0 "[ . 1 . 2 . 3 . 4]" 1 1285 1 54 LYS HA 1 54 LYS QD 4.170 . 4.170 4.014 3.920 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1286 1 54 LYS HA 1 54 LYS HD3 4.750 . 4.750 4.381 4.215 4.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1287 1 54 LYS HA 1 54 LYS HG2 3.740 . 3.740 2.614 2.506 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1288 1 54 LYS HA 1 54 LYS QG 3.260 . 3.260 2.483 2.390 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1289 1 54 LYS HA 1 54 LYS HG3 3.740 . 3.740 3.118 2.752 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1290 1 54 LYS HA 1 56 THR H 5.500 . 5.500 3.976 3.658 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1291 1 54 LYS HA 1 56 THR MG 4.530 . 4.530 4.413 3.973 4.569 0.039 6 0 "[ . 1 . 2 . 3 . 4]" 1 1292 1 54 LYS QB 1 54 LYS HE2 5.010 . 5.010 3.964 2.126 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1293 1 54 LYS QB 1 54 LYS QE 4.350 . 4.350 3.518 2.089 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1294 1 54 LYS QB 1 54 LYS HE3 5.010 . 5.010 3.963 3.067 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1295 1 54 LYS QB 1 55 HIS H 3.590 . 3.590 3.205 2.787 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1296 1 54 LYS QB 1 55 HIS HD2 3.860 . 3.860 3.019 2.170 3.868 0.008 28 0 "[ . 1 . 2 . 3 . 4]" 1 1297 1 54 LYS QG 1 55 HIS H 5.340 . 5.340 4.254 4.074 4.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1298 1 55 HIS H 1 55 HIS HB2 3.550 . 3.550 2.647 2.513 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1299 1 55 HIS H 1 55 HIS HB3 3.810 . 3.810 3.789 3.706 3.822 0.012 9 0 "[ . 1 . 2 . 3 . 4]" 1 1300 1 55 HIS H 1 55 HIS HD2 3.840 . 3.840 3.494 3.200 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1301 1 55 HIS H 1 56 THR H 3.560 . 3.560 2.760 2.540 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1302 1 55 HIS H 1 56 THR HA 5.500 . 5.500 4.187 3.995 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1303 1 55 HIS H 1 56 THR MG 4.260 . 4.260 3.726 3.405 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1304 1 55 HIS H 1 59 ILE MD 5.320 . 5.320 4.236 4.000 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1305 1 55 HIS HA 1 56 THR H 3.460 . 3.460 2.764 2.719 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1306 1 55 HIS HA 1 56 THR MG 5.080 . 5.080 4.896 4.526 5.088 0.008 10 0 "[ . 1 . 2 . 3 . 4]" 1 1307 1 55 HIS HB2 1 58 MET ME 4.260 . 4.260 2.588 2.327 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1308 1 55 HIS HB3 1 56 THR H 4.890 . 4.890 4.489 4.447 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1309 1 55 HIS HB3 1 58 MET QB 4.700 . 4.700 2.579 2.327 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1310 1 55 HIS HB3 1 58 MET ME 3.810 . 3.810 2.267 2.094 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1311 1 55 HIS HB3 1 58 MET QG 4.810 . 4.810 4.374 3.917 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1312 1 56 THR H 1 56 THR HB 4.080 . 4.080 3.486 3.393 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1313 1 56 THR H 1 56 THR MG 3.160 . 3.160 2.568 2.174 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1314 1 56 THR H 1 57 GLU H 3.750 . 3.750 2.816 2.502 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1315 1 56 THR H 1 57 GLU QB 4.600 . 4.600 4.611 4.492 4.670 0.070 9 0 "[ . 1 . 2 . 3 . 4]" 1 1316 1 56 THR H 1 59 ILE MD 4.400 . 4.400 4.362 4.169 4.411 0.011 38 0 "[ . 1 . 2 . 3 . 4]" 1 1317 1 56 THR HA 1 56 THR MG 3.030 . 3.030 2.202 2.154 2.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1318 1 56 THR HA 1 58 MET H 5.500 . 5.500 4.117 3.916 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1319 1 56 THR HA 1 59 ILE H 4.050 . 4.050 3.299 3.153 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1320 1 56 THR HA 1 59 ILE HB 3.890 . 3.890 2.973 2.667 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1321 1 56 THR HA 1 59 ILE MD 3.400 . 3.400 2.253 2.177 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1322 1 56 THR HA 1 59 ILE HG12 4.830 . 4.830 4.430 4.227 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1323 1 56 THR HA 1 59 ILE QG 4.150 . 4.150 2.947 2.716 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1324 1 56 THR HA 1 59 ILE HG13 4.830 . 4.830 2.992 2.749 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1325 1 56 THR HA 1 60 THR H 4.880 . 4.880 4.236 4.014 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1326 1 56 THR HA 1 120 ILE MD 3.580 . 3.580 3.029 2.868 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1327 1 56 THR HB 1 59 ILE MD 4.330 . 4.330 4.211 3.658 4.345 0.015 2 0 "[ . 1 . 2 . 3 . 4]" 1 1328 1 56 THR HB 1 117 VAL HA 4.960 . 4.960 3.977 3.259 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1329 1 56 THR HB 1 117 VAL QG 5.280 . 5.280 3.823 3.219 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1330 1 56 THR HB 1 120 ILE MD 3.240 . 3.240 2.190 1.940 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1331 1 56 THR HB 1 120 ILE MG 5.500 . 5.500 5.270 4.998 5.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1332 1 56 THR MG 1 57 GLU H 4.730 . 4.730 4.123 3.938 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1333 1 56 THR MG 1 59 ILE H 5.210 . 5.210 4.954 4.848 5.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1334 1 56 THR MG 1 59 ILE HB 4.400 . 4.400 4.037 3.755 4.404 0.004 24 0 "[ . 1 . 2 . 3 . 4]" 1 1335 1 56 THR MG 1 59 ILE MD 3.390 . 3.390 2.767 2.510 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1336 1 56 THR MG 1 89 PHE QE 5.190 . 5.190 4.597 4.347 4.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1337 1 56 THR MG 1 89 PHE HZ 4.690 . 4.690 4.292 3.896 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1338 1 56 THR MG 1 116 GLU QB 3.760 . 3.760 2.386 2.063 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1339 1 56 THR MG 1 116 GLU QG 4.830 . 4.830 2.397 2.074 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1340 1 56 THR MG 1 117 VAL H 4.620 . 4.620 3.414 3.133 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1341 1 56 THR MG 1 117 VAL HA 3.770 . 3.770 2.593 2.298 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1342 1 56 THR MG 1 117 VAL HB 4.490 . 4.490 4.123 2.228 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1343 1 56 THR MG 1 117 VAL MG1 4.530 . 4.530 2.182 2.025 3.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1344 1 56 THR MG 1 117 VAL QG 3.230 . 3.230 1.960 1.858 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1345 1 56 THR MG 1 117 VAL MG2 4.530 . 4.530 2.248 2.120 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1346 1 56 THR MG 1 120 ILE MD 3.230 . 3.230 2.564 2.224 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1347 1 56 THR MG 1 120 ILE HG13 5.230 . 5.230 4.310 3.941 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1348 1 57 GLU H 1 57 GLU QB 3.670 . 3.670 2.251 2.154 2.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1349 1 57 GLU H 1 57 GLU QG 4.660 . 4.660 3.856 1.984 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1350 1 57 GLU H 1 58 MET H 3.940 . 3.940 2.760 2.668 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1351 1 57 GLU H 1 120 ILE MD 5.200 . 5.200 4.482 4.238 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1352 1 57 GLU HA 1 59 ILE H 4.790 . 4.790 4.354 4.208 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1353 1 57 GLU HA 1 60 THR H 4.040 . 4.040 3.115 2.865 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1354 1 57 GLU HA 1 60 THR HB 4.160 . 4.160 2.651 2.292 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1355 1 57 GLU HA 1 60 THR MG 4.570 . 4.570 3.855 3.620 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1356 1 57 GLU HA 1 61 THR H 5.500 . 5.500 3.967 3.776 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1357 1 57 GLU QB 1 58 MET H 3.540 . 3.540 2.920 2.442 3.556 0.016 32 0 "[ . 1 . 2 . 3 . 4]" 1 1358 1 58 MET H 1 58 MET HB2 3.630 . 3.630 2.541 2.462 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1359 1 58 MET H 1 58 MET HB3 3.630 . 3.630 2.460 2.360 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1360 1 58 MET H 1 58 MET ME 4.420 . 4.420 4.000 3.776 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1361 1 58 MET H 1 58 MET QG 3.990 . 3.990 3.996 3.969 4.016 0.026 27 0 "[ . 1 . 2 . 3 . 4]" 1 1362 1 58 MET H 1 59 ILE H 3.530 . 3.530 2.542 2.426 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1363 1 58 MET H 1 59 ILE MD 5.500 . 5.500 5.050 4.953 5.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1364 1 58 MET H 1 60 THR H 4.670 . 4.670 3.922 3.830 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1365 1 58 MET H 1 60 THR HB 5.500 . 5.500 5.165 5.006 5.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1366 1 58 MET H 1 61 THR H 5.500 . 5.500 4.521 4.431 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1367 1 58 MET HA 1 58 MET ME 4.660 . 4.660 4.460 4.351 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1368 1 58 MET HA 1 58 MET QG 3.750 . 3.750 2.423 2.351 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1369 1 58 MET HA 1 61 THR H 4.340 . 4.340 3.139 2.993 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1370 1 58 MET HA 1 61 THR MG 4.700 . 4.700 3.701 3.456 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1371 1 58 MET HA 1 62 LEU QD 5.440 . 5.440 4.752 3.819 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1372 1 58 MET QB 1 58 MET ME 3.220 . 3.220 1.972 1.917 2.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1373 1 58 MET QB 1 59 ILE H 3.940 . 3.940 2.566 2.486 2.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1374 1 58 MET HB2 1 58 MET ME 4.060 . 4.060 2.822 2.505 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1375 1 58 MET HB2 1 59 ILE H 4.700 . 4.700 3.884 3.795 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1376 1 58 MET HB3 1 58 MET ME 4.060 . 4.060 2.014 1.953 2.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1377 1 58 MET HB3 1 59 ILE H 4.700 . 4.700 2.604 2.518 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1378 1 58 MET ME 1 58 MET QG 3.020 . 3.020 2.514 2.380 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1379 1 58 MET ME 1 59 ILE H 3.890 . 3.890 3.979 3.933 4.042 0.152 17 0 "[ . 1 . 2 . 3 . 4]" 1 1380 1 58 MET ME 1 59 ILE HA 5.040 . 5.040 4.854 4.680 5.061 0.021 36 0 "[ . 1 . 2 . 3 . 4]" 1 1381 1 58 MET ME 1 59 ILE MD 4.670 . 4.670 4.422 4.188 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1382 1 58 MET ME 1 59 ILE QG 4.310 . 4.310 3.549 3.392 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1383 1 58 MET ME 1 62 LEU QD 4.240 . 4.240 3.906 3.455 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1384 1 58 MET ME 1 85 PHE QD 5.130 . 5.130 4.618 4.307 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1385 1 58 MET ME 1 85 PHE QE 4.130 . 4.130 3.282 2.893 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1386 1 58 MET ME 1 85 PHE HZ 3.580 . 3.580 2.630 2.186 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1387 1 58 MET QG 1 59 ILE H 4.250 . 4.250 3.823 3.637 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1388 1 58 MET QG 1 59 ILE HA 4.940 . 4.940 4.034 3.739 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1389 1 58 MET QG 1 61 THR MG 4.660 . 4.660 3.840 3.346 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1390 1 58 MET QG 1 62 LEU QD 4.000 . 4.000 3.175 2.294 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1391 1 59 ILE H 1 59 ILE HB 3.520 . 3.520 2.664 2.613 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1392 1 59 ILE H 1 59 ILE MD 3.690 . 3.690 3.508 3.434 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1393 1 59 ILE H 1 59 ILE HG12 3.880 . 3.880 3.333 3.250 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1394 1 59 ILE H 1 59 ILE QG 3.230 . 3.230 1.976 1.893 2.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1395 1 59 ILE H 1 59 ILE HG13 3.880 . 3.880 1.991 1.906 2.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1396 1 59 ILE H 1 59 ILE MG 3.890 . 3.890 3.850 3.837 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1397 1 59 ILE H 1 60 THR H 3.630 . 3.630 2.678 2.605 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1398 1 59 ILE H 1 60 THR HB 5.290 . 5.290 5.046 4.963 5.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1399 1 59 ILE H 1 61 THR H 4.700 . 4.700 4.082 3.968 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1400 1 59 ILE H 1 120 ILE MD 4.500 . 4.500 4.001 3.891 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1401 1 59 ILE HA 1 59 ILE MD 3.970 . 3.970 3.947 3.912 3.976 0.006 40 0 "[ . 1 . 2 . 3 . 4]" 1 1402 1 59 ILE HA 1 59 ILE HG12 4.100 . 4.100 2.669 2.602 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1403 1 59 ILE HA 1 59 ILE HG13 4.100 . 4.100 3.069 2.997 3.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1404 1 59 ILE HA 1 59 ILE MG 3.250 . 3.250 2.415 2.370 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1405 1 59 ILE HA 1 62 LEU H 4.200 . 4.200 3.267 3.160 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1406 1 59 ILE HA 1 62 LEU QB 4.240 . 4.240 2.761 2.494 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1407 1 59 ILE HA 1 62 LEU MD1 4.850 . 4.850 2.340 1.997 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1408 1 59 ILE HA 1 62 LEU QD 3.560 . 3.560 2.069 1.994 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1409 1 59 ILE HA 1 62 LEU MD2 4.850 . 4.850 4.311 2.022 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1410 1 59 ILE HA 1 62 LEU HG 4.570 . 4.570 3.413 2.950 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1411 1 59 ILE HA 1 63 LYS H 5.410 . 5.410 4.403 4.165 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1412 1 59 ILE HA 1 82 TYR QD 5.020 . 5.020 3.990 3.659 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1413 1 59 ILE HB 1 59 ILE MD 3.120 . 3.120 2.368 2.333 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1414 1 59 ILE HB 1 60 THR H 3.810 . 3.810 2.698 2.586 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1415 1 59 ILE HB 1 120 ILE MG 4.140 . 4.140 3.093 2.612 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1416 1 59 ILE MD 1 59 ILE MG 2.770 . 2.770 2.146 2.113 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1417 1 59 ILE MD 1 60 THR H 4.810 . 4.810 4.538 4.448 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1418 1 59 ILE MD 1 85 PHE HA 4.860 . 4.860 4.533 4.407 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1419 1 59 ILE MD 1 85 PHE QB 3.790 . 3.790 2.509 2.358 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1420 1 59 ILE MD 1 85 PHE QD 3.750 . 3.750 3.230 2.628 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1421 1 59 ILE MD 1 85 PHE QE 4.390 . 4.390 4.192 3.817 4.426 0.036 1 0 "[ . 1 . 2 . 3 . 4]" 1 1422 1 59 ILE MD 1 88 MET ME 4.810 . 4.810 4.416 4.284 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1423 1 59 ILE MD 1 89 PHE QD 4.520 . 4.520 4.011 3.674 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1424 1 59 ILE MD 1 89 PHE QE 3.650 . 3.650 2.890 2.611 3.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1425 1 59 ILE MD 1 89 PHE HZ 4.060 . 4.060 3.928 3.648 4.068 0.008 25 0 "[ . 1 . 2 . 3 . 4]" 1 1426 1 59 ILE MD 1 117 VAL HB 5.500 . 5.500 4.746 3.993 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1427 1 59 ILE MD 1 121 PHE QE 4.490 . 4.490 3.778 3.382 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1428 1 59 ILE MD 1 121 PHE HZ 4.060 . 4.060 3.283 2.870 3.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1429 1 59 ILE QG 1 59 ILE MG 3.200 . 3.200 2.294 2.268 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1430 1 59 ILE QG 1 60 THR H 4.520 . 4.520 3.959 3.897 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1431 1 59 ILE QG 1 85 PHE QD 4.550 . 4.550 3.211 2.779 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1432 1 59 ILE MG 1 60 THR H 4.090 . 4.090 3.693 3.570 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1433 1 59 ILE MG 1 60 THR HA 4.430 . 4.430 3.799 3.633 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1434 1 59 ILE MG 1 62 LEU H 4.670 . 4.670 4.574 4.453 4.672 0.002 6 0 "[ . 1 . 2 . 3 . 4]" 1 1435 1 59 ILE MG 1 63 LYS H 5.010 . 5.010 4.216 4.042 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1436 1 59 ILE MG 1 82 TYR HA 4.690 . 4.690 3.240 2.988 3.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1437 1 59 ILE MG 1 82 TYR QD 3.410 . 3.410 2.865 2.618 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1438 1 59 ILE MG 1 82 TYR QE 3.630 . 3.630 2.790 2.385 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1439 1 59 ILE MG 1 85 PHE H 5.500 . 5.500 4.747 4.529 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1440 1 59 ILE MG 1 85 PHE QB 4.020 . 4.020 2.516 2.367 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1441 1 59 ILE MG 1 85 PHE QD 4.020 . 4.020 3.478 3.030 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1442 1 59 ILE MG 1 117 VAL HA 5.500 . 5.500 4.772 4.494 5.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1443 1 59 ILE MG 1 117 VAL QG 4.390 . 4.390 3.130 2.928 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1444 1 59 ILE MG 1 120 ILE HB 4.490 . 4.490 3.535 3.316 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1445 1 59 ILE MG 1 120 ILE MD 3.330 . 3.330 2.859 2.552 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1446 1 59 ILE MG 1 120 ILE MG 3.160 . 3.160 2.213 2.096 2.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1447 1 59 ILE MG 1 121 PHE H 5.500 . 5.500 5.297 5.045 5.501 0.001 22 0 "[ . 1 . 2 . 3 . 4]" 1 1448 1 59 ILE MG 1 121 PHE QE 3.820 . 3.820 2.622 2.237 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1449 1 59 ILE MG 1 121 PHE HZ 4.020 . 4.020 3.410 3.123 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1450 1 60 THR H 1 60 THR HB 3.470 . 3.470 2.709 2.634 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1451 1 60 THR H 1 60 THR MG 3.850 . 3.850 3.767 3.739 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1452 1 60 THR H 1 61 THR H 3.690 . 3.690 2.669 2.613 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1453 1 60 THR H 1 120 ILE MD 4.090 . 4.090 2.750 2.636 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1454 1 60 THR H 1 120 ILE HG12 4.810 . 4.810 4.363 4.090 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1455 1 60 THR H 1 120 ILE MG 4.610 . 4.610 3.499 3.266 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1456 1 60 THR HA 1 60 THR MG 3.210 . 3.210 2.336 2.312 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1457 1 60 THR HA 1 63 LYS H 4.210 . 4.210 3.359 3.228 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1458 1 60 THR HA 1 63 LYS HB2 4.440 . 4.440 3.231 2.864 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1459 1 60 THR HA 1 63 LYS HB3 4.440 . 4.440 3.085 2.696 3.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1460 1 60 THR HA 1 64 LYS H 4.960 . 4.960 4.457 4.230 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1461 1 60 THR HA 1 120 ILE MD 4.970 . 4.970 3.379 3.131 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1462 1 60 THR HA 1 120 ILE HG12 5.390 . 5.390 3.627 3.266 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1463 1 60 THR HA 1 120 ILE MG 3.740 . 3.740 2.269 2.119 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1464 1 60 THR HB 1 61 THR H 3.630 . 3.630 2.524 2.404 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1465 1 60 THR MG 1 61 THR H 3.870 . 3.870 3.688 3.564 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1466 1 60 THR MG 1 61 THR HA 3.910 . 3.910 3.859 3.657 3.939 0.029 12 0 "[ . 1 . 2 . 3 . 4]" 1 1467 1 60 THR MG 1 63 LYS H 4.630 . 4.630 4.536 4.465 4.640 0.010 19 0 "[ . 1 . 2 . 3 . 4]" 1 1468 1 60 THR MG 1 63 LYS HB2 4.540 . 4.540 4.381 4.104 4.550 0.010 31 0 "[ . 1 . 2 . 3 . 4]" 1 1469 1 60 THR MG 1 63 LYS QB 3.990 . 3.990 3.372 3.131 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1470 1 60 THR MG 1 63 LYS HB3 4.540 . 4.540 3.506 3.238 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1471 1 60 THR MG 1 64 LYS H 4.660 . 4.660 4.161 3.946 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1472 1 60 THR MG 1 64 LYS QB 5.070 . 5.070 4.538 4.191 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1473 1 60 THR MG 1 64 LYS QD 3.780 . 3.780 3.621 3.008 3.853 0.073 3 0 "[ . 1 . 2 . 3 . 4]" 1 1474 1 60 THR MG 1 64 LYS HE2 3.740 . 3.740 3.241 2.101 3.795 0.055 30 0 "[ . 1 . 2 . 3 . 4]" 1 1475 1 60 THR MG 1 64 LYS QE 3.190 . 3.190 2.266 1.919 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1476 1 60 THR MG 1 64 LYS HE3 3.740 . 3.740 2.562 1.930 3.748 0.008 33 0 "[ . 1 . 2 . 3 . 4]" 1 1477 1 60 THR MG 1 120 ILE MD 4.190 . 4.190 3.760 3.551 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1478 1 60 THR MG 1 120 ILE MG 3.470 . 3.470 2.902 2.500 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1479 1 61 THR H 1 61 THR HB 3.510 . 3.510 2.388 2.165 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1480 1 61 THR H 1 61 THR MG 3.780 . 3.780 3.719 3.633 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1481 1 61 THR H 1 64 LYS H 5.500 . 5.500 4.803 4.677 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1482 1 61 THR HA 1 61 THR MG 3.280 . 3.280 2.497 2.353 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1483 1 61 THR HA 1 64 LYS H 4.140 . 4.140 3.222 3.075 3.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1484 1 61 THR HA 1 64 LYS HB2 4.530 . 4.530 2.706 2.464 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1485 1 61 THR HA 1 64 LYS QB 3.890 . 3.890 2.679 2.444 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1486 1 61 THR HA 1 64 LYS HB3 4.530 . 4.530 4.309 4.072 4.538 0.008 23 0 "[ . 1 . 2 . 3 . 4]" 1 1487 1 61 THR HA 1 64 LYS QD 4.440 . 4.440 2.436 2.011 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1488 1 61 THR HA 1 65 ILE MG 4.290 . 4.290 3.809 3.602 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1489 1 61 THR HA 1 133 PHE HZ 4.730 . 4.730 3.993 3.577 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1490 1 61 THR HB 1 62 LEU H 3.910 . 3.910 2.808 2.591 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1491 1 61 THR MG 1 62 LEU H 3.820 . 3.820 3.364 2.998 3.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1492 1 61 THR MG 1 62 LEU HA 4.040 . 4.040 3.520 3.242 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1493 1 61 THR MG 1 62 LEU QD 4.520 . 4.520 3.728 3.010 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1494 1 61 THR MG 1 64 LYS QD 4.130 . 4.130 3.674 2.939 4.243 0.113 19 0 "[ . 1 . 2 . 3 . 4]" 1 1495 1 61 THR MG 1 65 ILE H 4.700 . 4.700 3.838 3.675 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1496 1 61 THR MG 1 65 ILE MD 3.360 . 3.360 2.797 2.523 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1497 1 61 THR MG 1 65 ILE MG 3.260 . 3.260 2.458 2.262 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1498 1 61 THR MG 1 133 PHE QD 5.040 . 5.040 4.531 4.244 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1499 1 61 THR MG 1 133 PHE QE 3.550 . 3.550 2.806 2.392 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1500 1 61 THR MG 1 133 PHE HZ 3.390 . 3.390 1.963 1.875 2.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1501 1 62 LEU H 1 62 LEU HB2 4.050 . 4.050 2.412 2.285 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1502 1 62 LEU H 1 62 LEU QB 3.470 . 3.470 2.378 2.257 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1503 1 62 LEU H 1 62 LEU HB3 4.050 . 4.050 3.610 3.505 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1504 1 62 LEU H 1 62 LEU MD1 3.790 . 3.790 3.475 2.819 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1505 1 62 LEU H 1 62 LEU QD 3.330 . 3.330 3.110 2.171 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1506 1 62 LEU H 1 62 LEU MD2 3.790 . 3.790 3.575 2.214 3.810 0.020 6 0 "[ . 1 . 2 . 3 . 4]" 1 1507 1 62 LEU H 1 62 LEU HG 3.910 . 3.910 2.663 2.310 4.011 0.101 4 0 "[ . 1 . 2 . 3 . 4]" 1 1508 1 62 LEU H 1 63 LYS H 3.740 . 3.740 2.744 2.667 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1509 1 62 LEU H 1 65 ILE MD 4.650 . 4.650 4.608 4.418 4.662 0.012 18 0 "[ . 1 . 2 . 3 . 4]" 1 1510 1 62 LEU HA 1 62 LEU MD1 4.260 . 4.260 3.699 2.070 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1511 1 62 LEU HA 1 62 LEU QD 3.070 . 3.070 2.138 2.058 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1512 1 62 LEU HA 1 62 LEU MD2 4.260 . 4.260 2.272 2.113 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1513 1 62 LEU HA 1 65 ILE H 4.230 . 4.230 3.538 3.401 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1514 1 62 LEU HA 1 65 ILE HB 5.170 . 5.170 5.103 4.981 5.171 0.001 37 0 "[ . 1 . 2 . 3 . 4]" 1 1515 1 62 LEU HA 1 65 ILE MD 3.560 . 3.560 2.679 2.569 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1516 1 62 LEU HA 1 65 ILE MG 3.990 . 3.990 3.814 3.752 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1517 1 62 LEU QB 1 62 LEU QD 2.860 . 2.860 1.927 1.904 2.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1518 1 62 LEU QB 1 63 LYS H 3.760 . 3.760 2.593 2.465 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1519 1 62 LEU QB 1 82 TYR H 4.780 . 4.780 3.315 3.139 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1520 1 62 LEU HB2 1 63 LYS H 4.350 . 4.350 2.669 2.521 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1521 1 62 LEU HB2 1 82 TYR QD 4.710 . 4.710 2.591 2.238 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1522 1 62 LEU HB3 1 63 LYS H 4.350 . 4.350 3.525 3.405 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1523 1 62 LEU HB3 1 82 TYR QD 4.710 . 4.710 3.157 2.594 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1524 1 62 LEU QD 1 63 LYS H 4.380 . 4.380 4.089 3.832 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1525 1 62 LEU QD 1 65 ILE MD 3.110 . 3.110 2.259 2.116 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1526 1 62 LEU QD 1 78 SER QB 4.050 . 4.050 2.569 2.254 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1527 1 62 LEU QD 1 81 LEU H 4.450 . 4.450 3.771 3.613 4.521 0.071 4 0 "[ . 1 . 2 . 3 . 4]" 1 1528 1 62 LEU QD 1 81 LEU QB 3.240 . 3.240 1.930 1.810 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1529 1 62 LEU QD 1 82 TYR HA 4.070 . 4.070 2.580 2.355 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1530 1 62 LEU QD 1 82 TYR QD 4.240 . 4.240 3.498 3.179 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1531 1 62 LEU QD 1 85 PHE H 5.440 . 5.440 4.322 3.994 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1532 1 62 LEU QD 1 85 PHE QB 5.440 . 5.440 3.522 3.149 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1533 1 62 LEU QD 1 85 PHE QD 3.450 . 3.450 2.293 2.151 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1534 1 62 LEU QD 1 85 PHE QE 3.500 . 3.500 2.266 2.067 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1535 1 62 LEU MD1 1 63 LYS H 4.990 . 4.990 4.490 4.329 4.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1536 1 62 LEU MD1 1 81 LEU HB2 4.240 . 4.240 2.883 2.365 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1537 1 62 LEU MD1 1 81 LEU HB3 4.240 . 4.240 2.224 2.009 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1538 1 62 LEU MD1 1 82 TYR H 4.480 . 4.480 3.047 2.789 4.496 0.016 4 0 "[ . 1 . 2 . 3 . 4]" 1 1539 1 62 LEU MD1 1 85 PHE QD 4.840 . 4.840 2.485 2.158 4.852 0.012 28 0 "[ . 1 . 2 . 3 . 4]" 1 1540 1 62 LEU MD2 1 63 LYS H 4.990 . 4.990 4.739 4.065 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1541 1 62 LEU MD2 1 81 LEU HB2 4.240 . 4.240 2.433 2.191 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1542 1 62 LEU MD2 1 81 LEU HB3 4.240 . 4.240 2.698 2.510 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1543 1 62 LEU MD2 1 82 TYR H 4.480 . 4.480 3.401 3.001 4.569 0.089 13 0 "[ . 1 . 2 . 3 . 4]" 1 1544 1 62 LEU MD2 1 85 PHE QD 4.840 . 4.840 4.175 2.502 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1545 1 62 LEU HG 1 82 TYR H 5.500 . 5.500 5.290 3.105 5.535 0.035 5 0 "[ . 1 . 2 . 3 . 4]" 1 1546 1 63 LYS H 1 63 LYS HB2 3.780 . 3.780 2.402 2.296 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1547 1 63 LYS H 1 63 LYS QB 3.270 . 3.270 2.229 2.184 2.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1548 1 63 LYS H 1 63 LYS HB3 3.780 . 3.780 2.652 2.549 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1549 1 63 LYS H 1 63 LYS HG2 4.700 . 4.700 4.556 4.510 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1550 1 63 LYS H 1 63 LYS HG3 4.700 . 4.700 4.427 4.319 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1551 1 63 LYS H 1 64 LYS H 3.690 . 3.690 2.701 2.632 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1552 1 63 LYS H 1 82 TYR QD 4.250 . 4.250 3.037 2.933 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1553 1 63 LYS H 1 82 TYR QE 4.550 . 4.550 3.889 3.446 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1554 1 63 LYS H 1 120 ILE MG 5.090 . 5.090 4.149 3.946 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1555 1 63 LYS HA 1 66 ARG H 4.590 . 4.590 3.812 3.583 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1556 1 63 LYS HA 1 66 ARG QG 4.830 . 4.830 2.948 2.374 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1557 1 63 LYS HA 1 82 TYR QD 4.170 . 4.170 3.467 3.239 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1558 1 63 LYS HA 1 82 TYR QE 4.710 . 4.710 4.041 3.654 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1559 1 63 LYS QB 1 64 LYS H 3.450 . 3.450 2.601 2.429 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1560 1 63 LYS QB 1 82 TYR QD 4.600 . 4.600 2.964 2.646 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1561 1 63 LYS QB 1 82 TYR QE 3.920 . 3.920 2.264 2.155 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1562 1 63 LYS QB 1 120 ILE MG 4.620 . 4.620 2.851 2.632 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1563 1 63 LYS HB2 1 64 LYS H 3.980 . 3.980 3.829 3.683 3.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1564 1 63 LYS HB2 1 82 TYR QE 4.730 . 4.730 2.279 2.165 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1565 1 63 LYS HB3 1 64 LYS H 3.980 . 3.980 2.646 2.459 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1566 1 63 LYS HB3 1 82 TYR QE 4.730 . 4.730 3.897 3.791 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1567 1 63 LYS QD 1 82 TYR QE 4.070 . 4.070 2.910 2.409 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1568 1 63 LYS QD 1 120 ILE MG 3.520 . 3.520 2.454 2.121 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1569 1 63 LYS QE 1 82 TYR QE 5.340 . 5.340 4.387 3.589 5.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1570 1 63 LYS QE 1 120 ILE MG 4.660 . 4.660 3.886 3.235 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1571 1 63 LYS HE2 1 120 ILE MG 5.500 . 5.500 4.488 3.315 5.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1572 1 63 LYS HE3 1 120 ILE MG 5.500 . 5.500 4.410 3.590 5.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1573 1 63 LYS QG 1 82 TYR QD 5.020 . 5.020 4.153 3.810 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1574 1 63 LYS QG 1 82 TYR QE 4.960 . 4.960 3.364 2.974 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1575 1 63 LYS QG 1 120 ILE MG 4.770 . 4.770 3.930 3.567 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1576 1 64 LYS H 1 64 LYS HB2 3.670 . 3.670 2.428 2.307 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1577 1 64 LYS H 1 64 LYS QB 3.180 . 3.180 2.393 2.280 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1578 1 64 LYS H 1 64 LYS HB3 3.670 . 3.670 3.615 3.562 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1579 1 64 LYS H 1 64 LYS HD2 4.930 . 4.930 3.955 3.693 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1580 1 64 LYS H 1 64 LYS QD 4.250 . 4.250 3.781 3.565 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1581 1 64 LYS H 1 64 LYS HD3 4.930 . 4.930 4.822 4.657 4.947 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1 1582 1 64 LYS H 1 64 LYS HG2 3.860 . 3.860 3.668 3.475 3.862 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 1 1583 1 64 LYS H 1 64 LYS QG 3.380 . 3.380 2.398 2.167 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1584 1 64 LYS H 1 64 LYS HG3 3.860 . 3.860 2.433 2.186 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1585 1 64 LYS H 1 65 ILE H 3.660 . 3.660 2.729 2.633 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1586 1 64 LYS H 1 65 ILE MD 5.440 . 5.440 5.439 5.294 5.461 0.021 10 0 "[ . 1 . 2 . 3 . 4]" 1 1587 1 64 LYS H 1 65 ILE MG 4.130 . 4.130 4.151 4.123 4.169 0.039 37 0 "[ . 1 . 2 . 3 . 4]" 1 1588 1 64 LYS H 1 66 ARG H 4.720 . 4.720 4.063 3.864 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1589 1 64 LYS H 1 82 TYR QD 5.500 . 5.500 5.514 5.502 5.533 0.033 18 0 "[ . 1 . 2 . 3 . 4]" 1 1590 1 64 LYS HA 1 64 LYS QD 4.320 . 4.320 4.048 3.866 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1591 1 64 LYS HA 1 64 LYS HG2 4.060 . 4.060 2.600 2.407 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1592 1 64 LYS HA 1 64 LYS QG 3.500 . 3.500 2.446 2.336 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1593 1 64 LYS HA 1 64 LYS HG3 4.060 . 4.060 3.006 2.835 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1594 1 64 LYS HA 1 66 ARG H 4.580 . 4.580 3.903 3.776 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1595 1 64 LYS QB 1 64 LYS QD 3.330 . 3.330 2.124 2.062 2.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1596 1 64 LYS QB 1 65 ILE H 3.550 . 3.550 2.440 2.356 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1597 1 64 LYS QB 1 65 ILE MG 3.670 . 3.670 2.780 2.629 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1598 1 64 LYS QB 1 133 PHE HZ 4.380 . 4.380 3.840 3.485 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1599 1 64 LYS HB2 1 65 ILE H 4.140 . 4.140 2.497 2.394 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1600 1 64 LYS HB2 1 65 ILE MG 4.440 . 4.440 2.909 2.708 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1601 1 64 LYS HB2 1 133 PHE HZ 5.020 . 5.020 4.023 3.633 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1602 1 64 LYS HB3 1 65 ILE H 4.140 . 4.140 3.439 3.279 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1603 1 64 LYS HB3 1 65 ILE MG 4.440 . 4.440 3.541 3.408 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1604 1 64 LYS HB3 1 133 PHE HZ 5.020 . 5.020 4.864 4.365 5.032 0.012 32 0 "[ . 1 . 2 . 3 . 4]" 1 1605 1 64 LYS QE 1 64 LYS QG 3.330 . 3.330 2.185 2.097 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1606 1 64 LYS QG 1 65 ILE H 4.820 . 4.820 4.154 4.022 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1607 1 64 LYS QG 1 65 ILE MG 4.890 . 4.890 4.633 4.479 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1608 1 65 ILE H 1 65 ILE MD 3.920 . 3.920 3.688 3.624 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1609 1 65 ILE H 1 65 ILE QG 3.600 . 3.600 2.115 2.040 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1610 1 65 ILE H 1 65 ILE MG 3.180 . 3.180 2.190 2.133 2.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1611 1 65 ILE H 1 66 ARG H 3.740 . 3.740 2.777 2.672 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1612 1 65 ILE H 1 67 ARG H 5.000 . 5.000 4.429 4.193 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1613 1 65 ILE HA 1 65 ILE MG 3.220 . 3.220 2.357 2.327 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1614 1 65 ILE HA 1 67 ARG H 4.050 . 4.050 3.206 3.007 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1615 1 65 ILE HA 1 68 PHE H 4.230 . 4.230 3.379 3.158 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1616 1 65 ILE HA 1 68 PHE QB 4.000 . 4.000 2.533 2.329 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1617 1 65 ILE HA 1 68 PHE QD 4.970 . 4.970 4.273 4.059 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1618 1 65 ILE HA 1 74 ILE MG 4.690 . 4.690 4.215 4.044 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1619 1 65 ILE HA 1 130 PHE QD 4.170 . 4.170 2.667 2.378 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1620 1 65 ILE HA 1 130 PHE QE 5.130 . 5.130 3.332 2.949 3.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1621 1 65 ILE HB 1 65 ILE MD 3.310 . 3.310 2.427 2.373 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1622 1 65 ILE HB 1 68 PHE H 5.070 . 5.070 4.341 4.143 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1623 1 65 ILE HB 1 68 PHE HB2 4.630 . 4.630 2.856 2.593 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1624 1 65 ILE HB 1 68 PHE HB3 4.630 . 4.630 3.677 3.458 3.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1625 1 65 ILE HB 1 74 ILE MG 4.050 . 4.050 2.569 2.390 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1626 1 65 ILE HB 1 130 PHE QD 5.090 . 5.090 4.139 3.772 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1627 1 65 ILE MD 1 66 ARG H 5.340 . 5.340 4.780 4.655 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1628 1 65 ILE MD 1 74 ILE HA 5.500 . 5.500 4.621 4.445 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1629 1 65 ILE MD 1 74 ILE MG 3.050 . 3.050 2.343 2.188 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1630 1 65 ILE MD 1 78 SER H 4.970 . 4.970 4.393 4.281 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1631 1 65 ILE MD 1 78 SER HB2 3.790 . 3.790 3.036 2.803 3.816 0.026 36 0 "[ . 1 . 2 . 3 . 4]" 1 1632 1 65 ILE MD 1 78 SER HB3 3.790 . 3.790 2.320 2.188 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1633 1 65 ILE MD 1 133 PHE QE 5.500 . 5.500 4.436 4.239 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1634 1 65 ILE QG 1 74 ILE MG 4.170 . 4.170 3.040 2.871 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1635 1 65 ILE QG 1 78 SER QB 4.610 . 4.610 2.080 1.979 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1636 1 65 ILE MG 1 66 ARG H 4.420 . 4.420 4.254 4.181 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1637 1 65 ILE MG 1 67 ARG H 5.440 . 5.440 4.984 4.809 5.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1638 1 65 ILE MG 1 68 PHE QB 4.290 . 4.290 3.597 3.387 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1639 1 65 ILE MG 1 68 PHE QD 4.590 . 4.590 4.438 4.231 4.595 0.005 36 0 "[ . 1 . 2 . 3 . 4]" 1 1640 1 65 ILE MG 1 74 ILE MD 4.790 . 4.790 4.833 4.595 4.933 0.143 4 0 "[ . 1 . 2 . 3 . 4]" 1 1641 1 65 ILE MG 1 74 ILE MG 3.840 . 3.840 3.585 3.410 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1642 1 65 ILE MG 1 130 PHE QD 4.140 . 4.140 3.452 3.075 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1643 1 65 ILE MG 1 130 PHE QE 3.630 . 3.630 2.289 2.141 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1644 1 65 ILE MG 1 130 PHE HZ 4.250 . 4.250 3.110 2.834 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1645 1 65 ILE MG 1 133 PHE QE 3.580 . 3.580 2.868 2.746 3.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1646 1 65 ILE MG 1 133 PHE HZ 3.930 . 3.930 2.281 2.118 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1647 1 66 ARG H 1 66 ARG QB 3.470 . 3.470 2.315 2.092 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1648 1 66 ARG H 1 66 ARG HD2 5.500 . 5.500 4.937 4.272 5.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1649 1 66 ARG H 1 66 ARG QD 4.720 . 4.720 4.052 3.768 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1650 1 66 ARG H 1 66 ARG HD3 5.500 . 5.500 4.324 3.945 5.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1651 1 66 ARG H 1 66 ARG HG2 4.640 . 4.640 3.824 3.451 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1652 1 66 ARG H 1 66 ARG QG 3.900 . 3.900 2.748 2.428 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1653 1 66 ARG H 1 66 ARG HG3 4.640 . 4.640 2.839 2.469 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1654 1 66 ARG H 1 67 ARG H 3.590 . 3.590 2.513 2.403 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1655 1 66 ARG H 1 68 PHE H 5.060 . 5.060 4.193 4.062 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1656 1 66 ARG H 1 78 SER QB 5.340 . 5.340 3.974 3.749 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1657 1 66 ARG HA 1 68 PHE H 4.950 . 4.950 3.578 3.483 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1658 1 66 ARG HA 1 75 MET HA 4.250 . 4.250 2.463 2.189 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1659 1 66 ARG QB 1 67 ARG H 3.680 . 3.680 3.039 2.835 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1660 1 66 ARG QB 1 68 PHE H 5.340 . 5.340 4.531 4.422 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1661 1 66 ARG HB2 1 67 ARG H 4.500 . 4.500 3.216 2.934 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1662 1 66 ARG HB3 1 67 ARG H 4.500 . 4.500 3.840 2.944 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1663 1 66 ARG QD 1 79 THR HA 5.340 . 5.340 2.599 2.135 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1664 1 66 ARG QG 1 78 SER QB 5.180 . 5.180 2.783 2.273 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1665 1 66 ARG QG 1 79 THR H 4.710 . 4.710 3.196 2.949 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1666 1 66 ARG QG 1 79 THR HA 5.150 . 5.150 2.729 2.516 3.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1667 1 66 ARG QG 1 82 TYR QD 5.340 . 5.340 4.524 4.175 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1668 1 66 ARG HG2 1 67 ARG H 5.500 . 5.500 5.214 5.062 5.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1669 1 66 ARG HG3 1 67 ARG H 5.500 . 5.500 4.802 4.471 5.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1670 1 67 ARG H 1 67 ARG HB2 3.980 . 3.980 2.460 2.292 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1671 1 67 ARG H 1 67 ARG QB 3.380 . 3.380 2.424 2.267 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1672 1 67 ARG H 1 67 ARG HB3 3.980 . 3.980 3.662 3.572 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1673 1 67 ARG H 1 67 ARG QD 4.370 . 4.370 3.857 2.141 4.391 0.021 40 0 "[ . 1 . 2 . 3 . 4]" 1 1674 1 67 ARG H 1 67 ARG HG2 4.120 . 4.120 3.218 2.476 4.140 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 1 1675 1 67 ARG H 1 67 ARG QG 3.510 . 3.510 2.747 2.325 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1676 1 67 ARG H 1 67 ARG HG3 4.120 . 4.120 3.483 2.382 4.127 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 1 1677 1 67 ARG H 1 68 PHE H 3.430 . 3.430 2.584 2.407 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1678 1 67 ARG H 1 68 PHE QB 5.340 . 5.340 3.954 3.729 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1679 1 67 ARG H 1 75 MET QB 5.340 . 5.340 4.725 4.419 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1680 1 67 ARG H 1 130 PHE HB2 4.600 . 4.600 4.177 3.867 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1681 1 67 ARG HA 1 67 ARG QD 3.880 . 3.880 2.858 1.989 3.987 0.107 38 0 "[ . 1 . 2 . 3 . 4]" 1 1682 1 67 ARG HA 1 67 ARG HG2 4.100 . 4.100 2.890 2.253 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1683 1 67 ARG HA 1 67 ARG QG 3.530 . 3.530 2.690 2.199 3.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1684 1 67 ARG HA 1 67 ARG HG3 4.100 . 4.100 3.466 2.420 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1685 1 67 ARG HA 1 75 MET ME 4.730 . 4.730 4.586 3.822 4.762 0.032 19 0 "[ . 1 . 2 . 3 . 4]" 1 1686 1 67 ARG HA 1 130 PHE H 5.140 . 5.140 4.215 3.993 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1687 1 67 ARG QB 1 129 GLU HA 3.790 . 3.790 2.561 2.158 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1688 1 67 ARG QB 1 130 PHE H 3.640 . 3.640 2.248 1.778 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1689 1 67 ARG QB 1 130 PHE HB2 4.120 . 4.120 2.468 2.120 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1690 1 67 ARG QB 1 130 PHE HB3 4.440 . 4.440 2.334 2.048 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1691 1 67 ARG HB2 1 129 GLU HA 4.350 . 4.350 3.961 3.341 4.357 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 1 1692 1 67 ARG HB2 1 130 PHE H 4.150 . 4.150 2.901 2.463 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1693 1 67 ARG HB2 1 130 PHE HB2 4.860 . 4.860 2.516 2.141 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1694 1 67 ARG HB3 1 129 GLU HA 4.350 . 4.350 2.598 2.178 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1695 1 67 ARG HB3 1 130 PHE H 4.150 . 4.150 2.374 1.813 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1696 1 67 ARG HB3 1 130 PHE HB2 4.860 . 4.860 3.615 3.143 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1697 1 67 ARG QD 1 130 PHE H 5.060 . 5.060 4.246 3.514 5.107 0.047 39 0 "[ . 1 . 2 . 3 . 4]" 1 1698 1 67 ARG QG 1 68 PHE H 5.340 . 5.340 4.580 4.246 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1699 1 68 PHE H 1 68 PHE HB2 3.600 . 3.600 2.431 2.318 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1700 1 68 PHE H 1 68 PHE HB3 3.600 . 3.600 2.640 2.592 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1701 1 68 PHE H 1 68 PHE QD 4.220 . 4.220 4.175 4.127 4.226 0.006 37 0 "[ . 1 . 2 . 3 . 4]" 1 1702 1 68 PHE H 1 69 LYS QD 5.110 . 5.110 5.022 4.512 5.170 0.060 37 0 "[ . 1 . 2 . 3 . 4]" 1 1703 1 68 PHE H 1 74 ILE MG 4.640 . 4.640 4.177 4.050 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1704 1 68 PHE H 1 75 MET HA 4.740 . 4.740 4.067 3.805 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1705 1 68 PHE H 1 75 MET QB 3.870 . 3.870 3.257 2.945 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1706 1 68 PHE H 1 75 MET ME 4.640 . 4.640 4.370 3.814 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1707 1 68 PHE H 1 130 PHE QD 4.290 . 4.290 3.798 3.426 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1708 1 68 PHE HA 1 68 PHE QD 3.630 . 3.630 2.170 2.097 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1709 1 68 PHE HA 1 69 LYS H 3.180 . 3.180 2.239 2.204 2.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1710 1 68 PHE HA 1 69 LYS HB2 4.830 . 4.830 4.634 4.526 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1711 1 68 PHE HA 1 69 LYS HG2 4.890 . 4.890 4.091 3.911 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1712 1 68 PHE HA 1 70 VAL H 4.340 . 4.340 3.684 3.594 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1713 1 68 PHE HA 1 70 VAL QG 4.940 . 4.940 3.725 3.618 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1714 1 68 PHE HA 1 130 PHE H 4.510 . 4.510 3.770 3.209 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1715 1 68 PHE HA 1 130 PHE HB3 4.480 . 4.480 3.120 2.781 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1716 1 68 PHE HA 1 130 PHE QD 4.320 . 4.320 2.756 2.564 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1717 1 68 PHE QB 1 69 LYS H 4.140 . 4.140 4.029 3.999 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1718 1 68 PHE QB 1 70 VAL QG 4.960 . 4.960 3.864 3.753 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1719 1 68 PHE QB 1 74 ILE HB 4.620 . 4.620 3.194 3.066 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1720 1 68 PHE QB 1 74 ILE MD 4.670 . 4.670 3.909 3.796 4.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1721 1 68 PHE QB 1 74 ILE MG 3.830 . 3.830 2.533 2.452 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1722 1 68 PHE QB 1 75 MET H 4.520 . 4.520 3.883 3.660 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1723 1 68 PHE QB 1 130 PHE QD 3.870 . 3.870 2.418 2.212 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1724 1 68 PHE QB 1 130 PHE QE 4.810 . 4.810 3.536 3.097 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1725 1 68 PHE HB2 1 69 LYS H 4.850 . 4.850 4.612 4.566 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1726 1 68 PHE HB2 1 74 ILE MG 4.420 . 4.420 3.235 3.102 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1727 1 68 PHE HB3 1 69 LYS H 4.850 . 4.850 4.444 4.420 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1728 1 68 PHE HB3 1 74 ILE MG 4.420 . 4.420 2.647 2.550 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1729 1 68 PHE QD 1 69 LYS H 4.230 . 4.230 3.947 3.886 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1730 1 68 PHE QD 1 70 VAL H 4.700 . 4.700 4.102 4.038 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1731 1 68 PHE QD 1 70 VAL QG 4.240 . 4.240 3.018 2.956 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1732 1 68 PHE QD 1 71 SER HB2 4.370 . 4.370 3.690 3.496 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1733 1 68 PHE QD 1 71 SER QB 3.720 . 3.720 2.351 2.243 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1734 1 68 PHE QD 1 71 SER HB3 4.370 . 4.370 2.378 2.268 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1735 1 68 PHE QD 1 74 ILE H 4.440 . 4.440 4.427 4.291 4.470 0.030 19 0 "[ . 1 . 2 . 3 . 4]" 1 1736 1 68 PHE QD 1 74 ILE HB 3.940 . 3.940 2.243 2.132 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1737 1 68 PHE QD 1 74 ILE MD 3.460 . 3.460 2.297 2.186 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1738 1 68 PHE QD 1 74 ILE MG 3.360 . 3.360 2.394 2.305 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1739 1 68 PHE QD 1 75 MET H 4.560 . 4.560 4.393 4.233 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1740 1 68 PHE QD 1 130 PHE HB3 4.930 . 4.930 3.721 3.430 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1741 1 68 PHE QD 1 130 PHE QE 4.640 . 4.640 3.260 3.004 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1742 1 68 PHE QD 1 131 VAL HA 4.180 . 4.180 2.654 2.398 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1743 1 68 PHE QD 1 131 VAL MG1 4.850 . 4.850 3.903 3.641 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1744 1 68 PHE QE 1 69 LYS H 5.500 . 5.500 5.525 5.479 5.554 0.054 39 0 "[ . 1 . 2 . 3 . 4]" 1 1745 1 68 PHE QE 1 70 VAL H 5.100 . 5.100 4.695 4.630 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1746 1 68 PHE QE 1 70 VAL HB 5.140 . 5.140 5.052 5.031 5.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1747 1 68 PHE QE 1 70 VAL MG1 3.970 . 3.970 3.962 3.885 4.005 0.035 30 0 "[ . 1 . 2 . 3 . 4]" 1 1748 1 68 PHE QE 1 70 VAL QG 3.300 . 3.300 2.601 2.558 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1749 1 68 PHE QE 1 70 VAL MG2 3.970 . 3.970 2.637 2.589 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1750 1 68 PHE QE 1 71 SER H 4.610 . 4.610 4.583 4.399 4.628 0.018 6 0 "[ . 1 . 2 . 3 . 4]" 1 1751 1 68 PHE QE 1 71 SER QB 4.690 . 4.690 2.959 2.774 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1752 1 68 PHE QE 1 74 ILE HB 4.810 . 4.810 4.036 3.903 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1753 1 68 PHE QE 1 74 ILE MD 3.460 . 3.460 2.053 1.985 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1754 1 68 PHE QE 1 74 ILE MG 4.130 . 4.130 3.747 3.598 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1755 1 68 PHE QE 1 131 VAL HA 4.400 . 4.400 2.548 2.389 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1756 1 68 PHE QE 1 131 VAL MG1 4.750 . 4.750 3.901 3.581 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1757 1 68 PHE HZ 1 70 VAL HB 5.500 . 5.500 5.358 5.283 5.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1758 1 68 PHE HZ 1 70 VAL MG1 4.470 . 4.470 4.473 4.395 4.509 0.039 1 0 "[ . 1 . 2 . 3 . 4]" 1 1759 1 68 PHE HZ 1 70 VAL QG 3.500 . 3.500 2.709 2.648 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1760 1 68 PHE HZ 1 70 VAL MG2 4.470 . 4.470 2.732 2.668 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1761 1 69 LYS H 1 69 LYS HB2 3.340 . 3.340 2.457 2.342 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1762 1 69 LYS H 1 69 LYS HB3 3.620 . 3.620 3.600 3.563 3.628 0.008 39 0 "[ . 1 . 2 . 3 . 4]" 1 1763 1 69 LYS H 1 69 LYS QD 4.080 . 4.080 3.650 3.305 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1764 1 69 LYS H 1 69 LYS HG2 3.550 . 3.550 2.258 2.073 2.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1765 1 69 LYS H 1 69 LYS HG3 3.860 . 3.860 3.532 3.020 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1766 1 69 LYS H 1 70 VAL H 3.520 . 3.520 2.746 2.621 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1767 1 69 LYS H 1 70 VAL MG1 4.970 . 4.970 3.796 3.649 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1768 1 69 LYS H 1 70 VAL QG 3.990 . 3.990 3.505 3.396 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1769 1 69 LYS H 1 70 VAL MG2 4.970 . 4.970 4.117 3.999 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1770 1 69 LYS H 1 71 SER H 4.730 . 4.730 4.438 4.351 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1771 1 69 LYS H 1 75 MET ME 4.250 . 4.250 4.105 3.884 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1772 1 69 LYS H 1 129 GLU HG2 4.860 . 4.860 3.996 3.303 4.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1773 1 69 LYS H 1 129 GLU QG 4.010 . 4.010 3.131 2.587 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1774 1 69 LYS H 1 129 GLU HG3 4.860 . 4.860 3.294 2.623 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1775 1 69 LYS H 1 130 PHE H 4.580 . 4.580 3.817 3.277 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1776 1 69 LYS H 1 130 PHE HB3 5.310 . 5.310 4.495 4.232 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1777 1 69 LYS H 1 130 PHE QD 5.500 . 5.500 4.838 4.603 5.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1778 1 69 LYS H 1 131 VAL MG1 5.010 . 5.010 3.774 3.411 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1779 1 69 LYS HA 1 69 LYS QD 3.810 . 3.810 2.238 2.076 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1780 1 69 LYS HA 1 69 LYS HG2 4.170 . 4.170 2.978 2.632 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1781 1 69 LYS HA 1 69 LYS HG3 3.910 . 3.910 3.775 3.708 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1782 1 69 LYS HA 1 70 VAL MG1 5.260 . 5.260 4.862 4.795 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1783 1 69 LYS HA 1 70 VAL MG2 5.260 . 5.260 4.919 4.816 5.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1784 1 69 LYS HA 1 71 SER H 4.170 . 4.170 3.686 3.511 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1785 1 69 LYS HA 1 75 MET ME 2.920 . 2.920 1.978 1.905 2.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1786 1 69 LYS HA 1 75 MET HG2 4.890 . 4.890 4.894 4.845 4.903 0.013 4 0 "[ . 1 . 2 . 3 . 4]" 1 1787 1 69 LYS HB2 1 70 VAL H 4.070 . 4.070 3.096 2.895 3.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1788 1 69 LYS HB2 1 70 VAL QG 4.580 . 4.580 3.402 3.209 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1789 1 69 LYS HB2 1 129 GLU QG 3.930 . 3.930 3.113 2.611 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1790 1 69 LYS HB3 1 69 LYS HE2 5.200 . 5.200 3.375 2.103 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1791 1 69 LYS HB3 1 69 LYS QE 4.520 . 4.520 2.785 2.044 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1792 1 69 LYS HB3 1 69 LYS HE3 5.200 . 5.200 3.344 2.078 4.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1793 1 69 LYS HB3 1 70 VAL H 4.240 . 4.240 3.963 3.853 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1794 1 69 LYS HB3 1 70 VAL QG 4.940 . 4.940 4.273 4.123 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1795 1 69 LYS HB3 1 129 GLU QG 4.770 . 4.770 4.268 3.894 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1796 1 69 LYS QD 1 69 LYS HG2 2.680 . 2.680 2.228 2.140 2.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1797 1 69 LYS QD 1 69 LYS HG3 2.800 . 2.800 2.389 2.338 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1798 1 69 LYS QD 1 75 MET ME 3.590 . 3.590 2.278 2.015 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1799 1 69 LYS QD 1 129 GLU QG 4.220 . 4.220 3.916 3.548 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1800 1 69 LYS QE 1 75 MET ME 3.720 . 3.720 3.401 2.391 3.923 0.203 39 0 "[ . 1 . 2 . 3 . 4]" 1 1801 1 69 LYS HG2 1 70 VAL H 4.760 . 4.760 4.571 4.388 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1802 1 69 LYS HG2 1 70 VAL QG 4.940 . 4.940 4.925 4.692 5.033 0.093 20 0 "[ . 1 . 2 . 3 . 4]" 1 1803 1 69 LYS HG2 1 75 MET ME 4.290 . 4.290 4.017 3.522 4.299 0.009 39 0 "[ . 1 . 2 . 3 . 4]" 1 1804 1 69 LYS HG2 1 129 GLU QG 4.450 . 4.450 2.404 2.133 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1805 1 69 LYS HG2 1 130 PHE H 4.880 . 4.880 3.764 3.157 4.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1806 1 69 LYS HG3 1 75 MET ME 4.780 . 4.780 4.624 4.405 4.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1807 1 69 LYS HG3 1 129 GLU QG 4.530 . 4.530 2.499 2.096 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1808 1 70 VAL H 1 70 VAL HB 3.610 . 3.610 3.610 3.592 3.618 0.008 39 0 "[ . 1 . 2 . 3 . 4]" 1 1809 1 70 VAL H 1 70 VAL MG1 3.270 . 3.270 2.046 2.003 2.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1810 1 70 VAL H 1 70 VAL QG 2.610 . 2.610 1.845 1.814 1.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1811 1 70 VAL H 1 70 VAL MG2 3.270 . 3.270 2.100 2.059 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1812 1 70 VAL H 1 71 SER H 3.230 . 3.230 2.603 2.541 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1813 1 70 VAL H 1 75 MET ME 4.890 . 4.890 4.427 4.274 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1814 1 70 VAL HA 1 70 VAL MG1 3.240 . 3.240 2.383 2.362 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1815 1 70 VAL HA 1 70 VAL QG 2.680 . 2.680 2.325 2.308 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1816 1 70 VAL HA 1 70 VAL MG2 3.240 . 3.240 3.241 3.236 3.247 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1 1817 1 70 VAL HB 1 71 SER H 4.090 . 4.090 4.114 4.100 4.123 0.033 30 0 "[ . 1 . 2 . 3 . 4]" 1 1818 1 70 VAL QG 1 71 SER H 3.360 . 3.360 2.570 2.527 2.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1819 1 70 VAL QG 1 71 SER HA 4.610 . 4.610 3.773 3.719 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1820 1 70 VAL QG 1 71 SER QB 3.930 . 3.930 2.522 2.483 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1821 1 70 VAL QG 1 74 ILE MD 4.540 . 4.540 3.629 3.524 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1822 1 70 VAL QG 1 131 VAL HA 4.010 . 4.010 3.555 3.289 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1823 1 70 VAL QG 1 131 VAL HB 4.790 . 4.790 4.015 3.442 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1824 1 70 VAL MG1 1 71 SER H 3.920 . 3.920 3.987 3.957 4.008 0.088 10 0 "[ . 1 . 2 . 3 . 4]" 1 1825 1 70 VAL MG1 1 131 VAL HA 5.060 . 5.060 3.864 3.566 4.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1826 1 70 VAL MG2 1 71 SER H 3.920 . 3.920 2.602 2.555 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1827 1 70 VAL MG2 1 131 VAL HA 5.060 . 5.060 4.156 3.856 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1828 1 71 SER H 1 71 SER HB2 3.870 . 3.870 3.228 3.179 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1829 1 71 SER H 1 71 SER HB3 3.870 . 3.870 2.728 2.678 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1830 1 71 SER H 1 71 SER HG 4.830 . 4.830 4.825 4.793 4.836 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 1 1831 1 71 SER H 1 73 VAL H 5.500 . 5.500 5.505 5.461 5.513 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1 1832 1 71 SER H 1 74 ILE H 5.500 . 5.500 4.980 4.933 5.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1833 1 71 SER H 1 74 ILE HB 4.490 . 4.490 4.292 4.208 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1834 1 71 SER H 1 74 ILE MD 4.620 . 4.620 4.579 4.488 4.633 0.013 13 0 "[ . 1 . 2 . 3 . 4]" 1 1835 1 71 SER H 1 74 ILE MG 5.380 . 5.380 5.180 5.089 5.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1836 1 71 SER H 1 75 MET ME 4.030 . 4.030 3.551 3.246 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1837 1 71 SER HA 1 73 VAL H 4.370 . 4.370 3.515 3.429 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1838 1 71 SER QB 1 74 ILE H 3.950 . 3.950 2.905 2.848 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1839 1 71 SER QB 1 74 ILE HB 3.850 . 3.850 2.177 2.090 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1840 1 71 SER QB 1 74 ILE MD 3.440 . 3.440 2.231 2.152 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1841 1 71 SER QB 1 74 ILE MG 4.290 . 4.290 3.623 3.551 3.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1842 1 71 SER HB2 1 74 ILE H 4.490 . 4.490 4.038 3.967 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1843 1 71 SER HB2 1 74 ILE HB 4.520 . 4.520 3.827 3.704 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1844 1 71 SER HB2 1 74 ILE MD 3.960 . 3.960 2.824 2.719 2.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1845 1 71 SER HB3 1 74 ILE H 4.490 . 4.490 2.979 2.914 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1846 1 71 SER HB3 1 74 ILE HB 4.520 . 4.520 2.189 2.101 2.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1847 1 71 SER HB3 1 74 ILE MD 3.960 . 3.960 2.338 2.241 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1848 1 71 SER HG 1 73 VAL H 4.170 . 4.170 3.736 3.631 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1849 1 71 SER HG 1 73 VAL HB 4.490 . 4.490 3.071 2.877 3.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1850 1 71 SER HG 1 73 VAL MG1 4.820 . 4.820 4.395 4.220 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1851 1 71 SER HG 1 73 VAL QG 3.990 . 3.990 3.802 3.668 3.995 0.005 29 0 "[ . 1 . 2 . 3 . 4]" 1 1852 1 71 SER HG 1 73 VAL MG2 4.820 . 4.820 4.163 3.980 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1853 1 71 SER HG 1 74 ILE H 4.270 . 4.270 2.727 2.610 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1854 1 71 SER HG 1 74 ILE HB 5.070 . 5.070 3.372 3.206 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1855 1 71 SER HG 1 74 ILE MD 4.580 . 4.580 2.574 2.477 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1856 1 72 GLN H 1 73 VAL H 4.730 . 4.730 2.694 2.652 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1857 1 72 GLN HA 1 72 GLN QG 3.570 . 3.570 2.874 2.274 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1858 1 72 GLN HA 1 75 MET ME 2.880 . 2.880 2.107 1.903 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1859 1 72 GLN HA 1 75 MET HG2 3.930 . 3.930 2.024 1.859 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1860 1 72 GLN QB 1 72 GLN QE 3.830 . 3.830 3.641 2.393 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1861 1 72 GLN QB 1 73 VAL H 3.700 . 3.700 2.688 2.623 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1862 1 72 GLN QB 1 73 VAL QG 4.200 . 4.200 3.179 2.945 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1863 1 72 GLN HB2 1 73 VAL H 4.580 . 4.580 3.898 3.817 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1864 1 72 GLN HB3 1 73 VAL H 4.580 . 4.580 2.740 2.670 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1865 1 72 GLN QE 1 75 MET ME 4.370 . 4.370 3.505 3.125 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1866 1 72 GLN HE21 1 75 MET ME 5.070 . 5.070 3.727 3.274 5.106 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 1867 1 72 GLN HE22 1 75 MET ME 5.070 . 5.070 4.350 3.952 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1868 1 72 GLN QG 1 73 VAL H 4.430 . 4.430 3.941 3.842 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1869 1 72 GLN QG 1 73 VAL HA 4.590 . 4.590 3.894 3.743 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1870 1 72 GLN QG 1 73 VAL QG 4.850 . 4.850 3.981 3.644 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1871 1 73 VAL H 1 73 VAL HB 3.200 . 3.200 2.558 2.500 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1872 1 73 VAL H 1 73 VAL MG1 3.930 . 3.930 3.796 3.773 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1873 1 73 VAL H 1 73 VAL QG 2.830 . 2.830 2.080 2.027 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1874 1 73 VAL H 1 73 VAL MG2 3.930 . 3.930 2.090 2.035 2.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1875 1 73 VAL H 1 74 ILE H 3.640 . 3.640 2.708 2.606 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1876 1 73 VAL H 1 74 ILE MD 5.420 . 5.420 5.416 5.322 5.454 0.034 12 0 "[ . 1 . 2 . 3 . 4]" 1 1877 1 73 VAL H 1 75 MET H 4.560 . 4.560 4.281 4.171 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1878 1 73 VAL H 1 75 MET HG2 4.990 . 4.990 4.673 4.544 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1879 1 73 VAL H 1 76 GLU H 4.810 . 4.810 4.741 4.605 4.812 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1 1880 1 73 VAL H 1 76 GLU QG 5.340 . 5.340 4.946 4.653 5.399 0.059 20 0 "[ . 1 . 2 . 3 . 4]" 1 1881 1 73 VAL HA 1 73 VAL MG1 3.250 . 3.250 2.407 2.388 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1882 1 73 VAL HA 1 73 VAL QG 2.840 . 2.840 2.145 2.131 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1883 1 73 VAL HA 1 73 VAL MG2 3.250 . 3.250 2.408 2.384 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1884 1 73 VAL HA 1 76 GLU H 3.960 . 3.960 3.535 3.210 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1885 1 73 VAL HA 1 76 GLU HB2 4.280 . 4.280 3.108 2.633 4.329 0.049 31 0 "[ . 1 . 2 . 3 . 4]" 1 1886 1 73 VAL HA 1 76 GLU QB 3.590 . 3.590 2.740 2.519 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1887 1 73 VAL HA 1 76 GLU HB3 4.280 . 4.280 3.945 2.552 4.301 0.021 21 0 "[ . 1 . 2 . 3 . 4]" 1 1888 1 73 VAL HA 1 77 LYS H 4.750 . 4.750 3.802 3.625 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1889 1 73 VAL HA 1 77 LYS QG 5.060 . 5.060 3.897 3.822 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1890 1 73 VAL HB 1 74 ILE H 4.070 . 4.070 2.651 2.603 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1891 1 73 VAL HB 1 74 ILE MD 5.500 . 5.500 4.618 4.528 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1892 1 73 VAL QG 1 74 ILE HA 4.250 . 4.250 3.418 3.374 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1893 1 73 VAL QG 1 74 ILE QG 4.820 . 4.820 3.406 3.319 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1894 1 73 VAL QG 1 75 MET H 5.440 . 5.440 4.796 4.736 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1895 1 73 VAL QG 1 76 GLU H 5.220 . 5.220 4.440 4.241 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1896 1 73 VAL QG 1 76 GLU QB 3.940 . 3.940 3.716 3.592 3.970 0.030 31 0 "[ . 1 . 2 . 3 . 4]" 1 1897 1 73 VAL QG 1 77 LYS H 4.190 . 4.190 3.782 3.579 3.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1898 1 73 VAL QG 1 77 LYS QB 4.290 . 4.290 3.539 3.445 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1899 1 73 VAL QG 1 77 LYS QD 3.480 . 3.480 2.514 2.436 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1900 1 73 VAL QG 1 77 LYS QE 2.920 . 2.920 2.122 2.034 2.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1901 1 73 VAL QG 1 77 LYS QG 4.310 . 4.310 2.717 2.563 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1902 1 73 VAL MG1 1 74 ILE H 3.890 . 3.890 3.536 3.478 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1903 1 73 VAL MG1 1 77 LYS H 5.500 . 5.500 3.854 3.633 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1904 1 73 VAL MG1 1 77 LYS HE2 5.210 . 5.210 2.177 2.080 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1905 1 73 VAL MG1 1 77 LYS HE3 5.210 . 5.210 3.003 2.932 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1906 1 73 VAL MG2 1 74 ILE H 3.890 . 3.890 3.868 3.836 3.906 0.016 34 0 "[ . 1 . 2 . 3 . 4]" 1 1907 1 73 VAL MG2 1 77 LYS H 5.500 . 5.500 5.482 5.320 5.538 0.038 9 0 "[ . 1 . 2 . 3 . 4]" 1 1908 1 73 VAL MG2 1 77 LYS HE2 5.210 . 5.210 4.321 4.239 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1909 1 73 VAL MG2 1 77 LYS HE3 5.210 . 5.210 5.233 5.210 5.256 0.046 3 0 "[ . 1 . 2 . 3 . 4]" 1 1910 1 74 ILE H 1 74 ILE HB 3.600 . 3.600 2.408 2.381 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1911 1 74 ILE H 1 74 ILE MD 3.860 . 3.860 3.618 3.598 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1912 1 74 ILE H 1 74 ILE HG12 4.190 . 4.190 3.734 3.696 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1913 1 74 ILE H 1 74 ILE QG 3.550 . 3.550 2.399 2.359 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1914 1 74 ILE H 1 74 ILE HG13 4.190 . 4.190 2.429 2.387 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1915 1 74 ILE H 1 74 ILE MG 3.880 . 3.880 3.803 3.787 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1916 1 74 ILE H 1 75 MET H 3.690 . 3.690 2.723 2.663 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1917 1 74 ILE H 1 76 GLU H 4.570 . 4.570 4.072 3.992 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1918 1 74 ILE HA 1 74 ILE HG12 4.040 . 4.040 2.446 2.402 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1919 1 74 ILE HA 1 74 ILE QG 3.520 . 3.520 2.291 2.251 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1920 1 74 ILE HA 1 74 ILE HG13 4.040 . 4.040 2.763 2.719 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1921 1 74 ILE HA 1 74 ILE MG 3.270 . 3.270 2.537 2.520 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1922 1 74 ILE HA 1 77 LYS H 4.540 . 4.540 3.561 3.468 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1923 1 74 ILE HA 1 77 LYS QB 4.150 . 4.150 2.841 2.740 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1924 1 74 ILE HA 1 78 SER H 4.500 . 4.500 3.701 3.605 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1925 1 74 ILE HB 1 74 ILE MD 3.460 . 3.460 2.430 2.407 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1926 1 74 ILE HB 1 75 MET H 3.780 . 3.780 2.794 2.710 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1927 1 74 ILE MD 1 74 ILE MG 2.830 . 2.830 2.087 2.066 2.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1928 1 74 ILE MD 1 75 MET H 4.870 . 4.870 4.780 4.701 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1929 1 74 ILE MG 1 75 MET H 4.030 . 4.030 3.306 3.173 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1930 1 74 ILE MG 1 75 MET HA 4.000 . 4.000 3.217 3.057 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1931 1 74 ILE MG 1 78 SER H 4.240 . 4.240 3.903 3.810 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1932 1 74 ILE MG 1 78 SER HB2 4.570 . 4.570 4.359 3.705 4.572 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1 1933 1 74 ILE MG 1 78 SER HB3 4.570 . 4.570 3.286 3.043 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1934 1 75 MET H 1 75 MET HB2 4.190 . 4.190 3.668 3.648 3.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1935 1 75 MET H 1 75 MET QB 3.510 . 3.510 2.512 2.460 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1936 1 75 MET H 1 75 MET HB3 4.190 . 4.190 2.558 2.501 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1937 1 75 MET H 1 75 MET ME 3.810 . 3.810 3.637 3.480 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1938 1 75 MET H 1 75 MET HG2 3.960 . 3.960 2.449 2.298 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1939 1 75 MET H 1 75 MET HG3 3.600 . 3.600 3.520 3.286 3.605 0.005 8 0 "[ . 1 . 2 . 3 . 4]" 1 1940 1 75 MET H 1 76 GLU H 3.580 . 3.580 2.697 2.668 2.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1941 1 75 MET H 1 77 LYS H 4.790 . 4.790 4.474 4.425 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1942 1 75 MET HA 1 78 SER H 3.930 . 3.930 3.597 3.412 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1943 1 75 MET HA 1 78 SER QB 4.380 . 4.380 3.610 2.545 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1944 1 75 MET HA 1 79 THR H 4.680 . 4.680 3.938 3.863 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1945 1 75 MET QB 1 76 GLU H 3.600 . 3.600 3.618 3.604 3.640 0.040 31 0 "[ . 1 . 2 . 3 . 4]" 1 1946 1 75 MET HB2 1 76 GLU H 4.240 . 4.240 4.049 3.968 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1947 1 75 MET HB3 1 76 GLU H 4.240 . 4.240 4.073 4.031 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1948 1 75 MET ME 1 75 MET HG3 3.960 . 3.960 3.346 3.309 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1949 1 75 MET ME 1 76 GLU H 4.870 . 4.870 4.740 4.592 4.881 0.011 3 0 "[ . 1 . 2 . 3 . 4]" 1 1950 1 75 MET HG3 1 76 GLU H 4.770 . 4.770 2.675 2.524 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1951 1 76 GLU H 1 76 GLU HB2 3.570 . 3.570 2.558 2.158 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1952 1 76 GLU H 1 76 GLU QB 2.960 . 2.960 2.231 1.805 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1953 1 76 GLU H 1 76 GLU HB3 3.570 . 3.570 3.213 1.835 3.575 0.005 12 0 "[ . 1 . 2 . 3 . 4]" 1 1954 1 76 GLU H 1 76 GLU HG2 4.030 . 4.030 2.903 2.529 4.044 0.014 37 0 "[ . 1 . 2 . 3 . 4]" 1 1955 1 76 GLU H 1 76 GLU QG 3.330 . 3.330 2.729 2.490 3.472 0.142 20 0 "[ . 1 . 2 . 3 . 4]" 1 1956 1 76 GLU H 1 76 GLU HG3 4.030 . 4.030 3.706 3.015 4.039 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1 1957 1 76 GLU H 1 77 LYS H 3.580 . 3.580 2.693 2.565 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1958 1 76 GLU H 1 77 LYS QB 4.580 . 4.580 4.588 4.487 4.599 0.019 9 0 "[ . 1 . 2 . 3 . 4]" 1 1959 1 76 GLU HA 1 76 GLU QG 3.720 . 3.720 2.887 2.443 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1960 1 76 GLU HA 1 79 THR H 4.130 . 4.130 3.515 3.383 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1961 1 76 GLU HA 1 79 THR HB 4.600 . 4.600 2.900 2.751 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1962 1 76 GLU HA 1 79 THR MG 4.930 . 4.930 4.229 4.088 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1963 1 76 GLU HA 1 80 MET H 5.320 . 5.320 4.143 4.005 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1964 1 76 GLU QB 1 77 LYS H 3.370 . 3.370 2.582 2.325 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1965 1 76 GLU QB 1 78 SER H 5.270 . 5.270 4.680 4.450 5.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1966 1 76 GLU HB2 1 77 LYS H 3.870 . 3.870 2.832 2.381 3.919 0.049 37 0 "[ . 1 . 2 . 3 . 4]" 1 1967 1 76 GLU HB3 1 77 LYS H 3.870 . 3.870 3.252 2.487 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1968 1 76 GLU QG 1 77 LYS H 4.860 . 4.860 3.646 2.007 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1969 1 77 LYS H 1 77 LYS QB 3.430 . 3.430 2.333 2.302 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1970 1 77 LYS H 1 77 LYS HD2 4.980 . 4.980 4.163 4.109 4.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1971 1 77 LYS H 1 77 LYS QD 4.200 . 4.200 3.961 3.917 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1972 1 77 LYS H 1 77 LYS HD3 4.980 . 4.980 4.968 4.927 4.983 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1 1973 1 77 LYS H 1 77 LYS HG2 4.190 . 4.190 3.682 3.571 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1974 1 77 LYS H 1 77 LYS HG3 4.190 . 4.190 2.543 2.441 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1975 1 77 LYS H 1 78 SER H 3.620 . 3.620 2.733 2.670 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1976 1 77 LYS H 1 79 THR H 4.700 . 4.700 4.167 4.095 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1977 1 77 LYS HA 1 77 LYS QG 3.690 . 3.690 2.317 2.285 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1978 1 77 LYS HA 1 80 MET ME 4.860 . 4.860 3.458 2.490 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1979 1 77 LYS HA 1 81 LEU QD 5.000 . 5.000 3.726 3.387 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1980 1 77 LYS QB 1 77 LYS HE2 4.990 . 4.990 3.959 3.932 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1981 1 77 LYS QB 1 77 LYS QE 4.370 . 4.370 3.653 3.633 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1982 1 77 LYS QB 1 77 LYS HE3 4.990 . 4.990 4.287 4.272 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1983 1 77 LYS QB 1 78 SER H 3.900 . 3.900 2.684 2.620 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1984 1 77 LYS QB 1 81 LEU QD 3.960 . 3.960 2.738 2.544 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1985 1 77 LYS QE 1 77 LYS QG 3.320 . 3.320 2.304 2.263 2.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1986 1 78 SER H 1 78 SER HB2 4.110 . 4.110 3.522 2.528 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1987 1 78 SER H 1 78 SER QB 3.610 . 3.610 2.564 2.480 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1988 1 78 SER H 1 78 SER HB3 4.110 . 4.110 2.728 2.551 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1989 1 78 SER H 1 79 THR H 3.630 . 3.630 2.660 2.584 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1990 1 78 SER H 1 79 THR HG1 4.980 . 4.980 4.526 4.351 4.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1991 1 78 SER H 1 80 MET H 4.820 . 4.820 4.173 4.006 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1992 1 78 SER H 1 80 MET QB 5.500 . 5.500 4.901 4.709 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1993 1 79 THR H 1 79 THR HB 3.490 . 3.490 2.518 2.470 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1994 1 79 THR H 1 79 THR HG1 3.610 . 3.610 2.336 2.138 2.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1995 1 79 THR H 1 79 THR MG 3.830 . 3.830 3.795 3.783 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1996 1 79 THR H 1 80 MET H 3.520 . 3.520 2.623 2.560 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1997 1 79 THR H 1 80 MET QB 4.860 . 4.860 4.327 4.205 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1998 1 79 THR HA 1 79 THR MG 3.280 . 3.280 2.407 2.377 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1999 1 79 THR HA 1 82 TYR H 4.510 . 4.510 3.630 3.437 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2000 1 79 THR HA 1 82 TYR HB2 4.880 . 4.880 3.717 3.403 3.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2001 1 79 THR HA 1 82 TYR QB 4.180 . 4.180 2.701 2.503 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2002 1 79 THR HA 1 82 TYR HB3 4.880 . 4.880 2.774 2.552 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2003 1 79 THR HA 1 83 ASN H 4.810 . 4.810 3.915 3.796 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2004 1 79 THR HA 1 83 ASN QB 5.340 . 5.340 5.051 4.615 5.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2005 1 79 THR HB 1 80 MET H 3.610 . 3.610 2.571 2.445 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2006 1 79 THR HG1 1 80 MET H 4.630 . 4.630 4.145 3.957 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2007 1 79 THR MG 1 80 MET H 3.620 . 3.620 3.430 3.322 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2008 1 79 THR MG 1 80 MET HA 3.800 . 3.800 3.499 3.382 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2009 1 79 THR MG 1 80 MET QB 4.560 . 4.560 4.253 4.084 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2010 1 79 THR MG 1 82 TYR QB 4.150 . 4.150 3.888 3.638 4.158 0.008 16 0 "[ . 1 . 2 . 3 . 4]" 1 2011 1 79 THR MG 1 82 TYR QD 4.810 . 4.810 4.345 4.032 4.835 0.025 16 0 "[ . 1 . 2 . 3 . 4]" 1 2012 1 79 THR MG 1 83 ASN H 4.530 . 4.530 4.079 3.912 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2013 1 79 THR MG 1 83 ASN QB 4.120 . 4.120 3.827 3.287 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2014 1 79 THR MG 1 83 ASN HD21 3.460 . 3.460 2.628 2.399 3.507 0.047 31 0 "[ . 1 . 2 . 3 . 4]" 1 2015 1 79 THR MG 1 83 ASN QD 3.030 . 3.030 2.386 2.273 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2016 1 79 THR MG 1 83 ASN HD22 3.460 . 3.460 2.872 2.389 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2017 1 80 MET H 1 80 MET QB 3.040 . 3.040 2.195 2.124 2.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2018 1 80 MET H 1 80 MET ME 4.740 . 4.740 4.502 4.251 4.745 0.005 13 0 "[ . 1 . 2 . 3 . 4]" 1 2019 1 80 MET H 1 80 MET HG2 4.460 . 4.460 4.401 4.188 4.467 0.007 21 0 "[ . 1 . 2 . 3 . 4]" 1 2020 1 80 MET H 1 80 MET HG3 4.460 . 4.460 4.447 4.353 4.481 0.021 32 0 "[ . 1 . 2 . 3 . 4]" 1 2021 1 80 MET H 1 81 LEU H 3.500 . 3.500 2.845 2.768 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2022 1 80 MET HA 1 80 MET ME 5.080 . 5.080 4.370 3.800 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2023 1 80 MET HA 1 80 MET HG2 3.970 . 3.970 2.704 2.316 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2024 1 80 MET HA 1 80 MET QG 3.430 . 3.430 2.398 2.285 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2025 1 80 MET HA 1 80 MET HG3 3.970 . 3.970 3.018 2.548 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2026 1 80 MET HA 1 83 ASN QB 3.930 . 3.930 3.024 2.790 3.999 0.069 31 0 "[ . 1 . 2 . 3 . 4]" 1 2027 1 80 MET HA 1 83 ASN QD 4.780 . 4.780 3.250 1.951 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2028 1 80 MET QB 1 81 LEU H 3.710 . 3.710 2.408 2.347 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2029 1 80 MET ME 1 80 MET HG2 3.680 . 3.680 2.734 2.337 3.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2030 1 80 MET ME 1 80 MET QG 3.170 . 3.170 2.364 2.297 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2031 1 80 MET ME 1 80 MET HG3 3.680 . 3.680 3.093 2.382 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2032 1 80 MET ME 1 81 LEU H 4.150 . 4.150 3.434 2.993 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2033 1 80 MET ME 1 81 LEU HA 4.490 . 4.490 3.552 2.455 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2034 1 80 MET ME 1 81 LEU MD1 4.210 . 4.210 3.018 2.190 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2035 1 80 MET ME 1 81 LEU QD 3.190 . 3.190 2.360 1.985 2.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2036 1 80 MET ME 1 81 LEU MD2 4.210 . 4.210 2.515 2.044 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2037 1 80 MET ME 1 84 LYS QD 4.190 . 4.190 3.426 2.398 4.207 0.017 36 0 "[ . 1 . 2 . 3 . 4]" 1 2038 1 81 LEU H 1 81 LEU HB2 3.890 . 3.890 2.221 2.022 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2039 1 81 LEU H 1 81 LEU HB3 3.890 . 3.890 3.510 3.353 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2040 1 81 LEU H 1 81 LEU MD1 4.100 . 4.100 3.514 3.041 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2041 1 81 LEU H 1 81 LEU QD 3.480 . 3.480 2.760 2.374 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2042 1 81 LEU H 1 81 LEU MD2 4.100 . 4.100 3.118 2.402 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2043 1 81 LEU H 1 81 LEU HG 4.100 . 4.100 3.407 2.412 4.178 0.078 39 0 "[ . 1 . 2 . 3 . 4]" 1 2044 1 81 LEU H 1 82 TYR H 3.750 . 3.750 2.800 2.726 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2045 1 81 LEU HA 1 81 LEU MD1 4.520 . 4.520 2.842 1.991 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2046 1 81 LEU HA 1 81 LEU QD 3.000 . 3.000 2.073 1.974 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2047 1 81 LEU HA 1 81 LEU MD2 4.520 . 4.520 2.599 2.134 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2048 1 81 LEU HA 1 81 LEU HG 4.230 . 4.230 3.204 2.543 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2049 1 81 LEU HA 1 84 LYS H 4.680 . 4.680 3.207 3.070 3.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2050 1 81 LEU HA 1 84 LYS QD 4.270 . 4.270 3.008 2.778 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2051 1 81 LEU HA 1 84 LYS QE 5.500 . 5.500 5.064 4.746 5.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2052 1 81 LEU QB 1 81 LEU QD 2.680 . 2.680 1.995 1.891 2.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2053 1 81 LEU QB 1 85 PHE QE 4.480 . 4.480 2.889 2.548 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2054 1 81 LEU HB2 1 82 TYR H 4.230 . 4.230 2.714 2.611 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2055 1 81 LEU HB3 1 82 TYR H 4.230 . 4.230 3.301 3.050 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2056 1 81 LEU QD 1 82 TYR H 4.600 . 4.600 4.065 3.987 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2057 1 81 LEU QD 1 84 LYS H 5.140 . 5.140 4.511 4.293 4.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2058 1 81 LEU QD 1 84 LYS QD 3.540 . 3.540 2.215 2.024 2.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2059 1 81 LEU QD 1 84 LYS QE 4.100 . 4.100 3.623 3.099 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2060 1 81 LEU QD 1 85 PHE QD 4.400 . 4.400 3.677 3.402 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2061 1 81 LEU QD 1 85 PHE QE 3.660 . 3.660 2.691 2.294 3.674 0.014 28 0 "[ . 1 . 2 . 3 . 4]" 1 2062 1 81 LEU QD 1 85 PHE HZ 4.730 . 4.730 3.921 3.433 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2063 1 81 LEU MD1 1 85 PHE QE 5.120 . 5.120 3.306 2.330 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2064 1 81 LEU MD2 1 85 PHE QE 5.120 . 5.120 3.868 2.312 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2065 1 81 LEU HG 1 82 TYR H 5.500 . 5.500 4.860 4.541 5.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2066 1 81 LEU HG 1 85 PHE QE 5.450 . 5.450 4.394 3.076 5.471 0.021 12 0 "[ . 1 . 2 . 3 . 4]" 1 2067 1 82 TYR H 1 82 TYR HB2 3.720 . 3.720 2.490 2.422 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2068 1 82 TYR H 1 82 TYR HB3 3.720 . 3.720 2.543 2.475 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2069 1 82 TYR H 1 82 TYR QD 4.270 . 4.270 4.227 4.194 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2070 1 82 TYR H 1 83 ASN H 3.620 . 3.620 2.818 2.746 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2071 1 82 TYR H 1 84 LYS H 4.810 . 4.810 4.136 4.054 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2072 1 82 TYR HA 1 82 TYR QD 3.720 . 3.720 2.895 2.686 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2073 1 82 TYR HA 1 85 PHE H 4.350 . 4.350 3.608 3.538 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2074 1 82 TYR HA 1 85 PHE QD 4.250 . 4.250 2.983 2.700 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2075 1 82 TYR QB 1 83 ASN H 3.640 . 3.640 2.513 2.438 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2076 1 82 TYR QB 1 84 LYS H 5.340 . 5.340 4.684 4.628 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2077 1 82 TYR QD 1 83 ASN H 4.060 . 4.060 3.402 3.161 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2078 1 82 TYR QD 1 83 ASN HA 4.520 . 4.520 3.284 2.938 3.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2079 1 82 TYR QD 1 86 LYS H 5.220 . 5.220 4.853 4.690 5.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2080 1 82 TYR QD 1 86 LYS QB 5.230 . 5.230 3.782 3.558 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2081 1 82 TYR QD 1 86 LYS QD 4.860 . 4.860 3.755 3.467 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2082 1 82 TYR QD 1 120 ILE MG 4.170 . 4.170 3.819 3.549 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2083 1 82 TYR QE 1 86 LYS HD2 4.450 . 4.450 2.759 2.388 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2084 1 82 TYR QE 1 86 LYS HD3 4.450 . 4.450 3.667 2.738 4.454 0.004 11 0 "[ . 1 . 2 . 3 . 4]" 1 2085 1 82 TYR QE 1 86 LYS QE 5.500 . 5.500 4.344 3.868 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2086 1 82 TYR QE 1 120 ILE MD 5.100 . 5.100 4.617 4.169 5.116 0.016 40 0 "[ . 1 . 2 . 3 . 4]" 1 2087 1 82 TYR QE 1 120 ILE MG 3.580 . 3.580 2.089 1.960 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2088 1 83 ASN H 1 83 ASN HB2 3.700 . 3.700 2.519 2.324 3.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2089 1 83 ASN H 1 83 ASN QB 3.130 . 3.130 2.374 2.296 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2090 1 83 ASN H 1 83 ASN HB3 3.700 . 3.700 3.503 2.534 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2091 1 83 ASN H 1 83 ASN HD21 4.640 . 4.640 4.431 4.077 4.644 0.004 32 0 "[ . 1 . 2 . 3 . 4]" 1 2092 1 83 ASN H 1 83 ASN QD 4.060 . 4.060 3.703 3.193 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2093 1 83 ASN H 1 83 ASN HD22 4.640 . 4.640 3.974 3.327 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2094 1 83 ASN H 1 84 LYS H 3.550 . 3.550 2.630 2.569 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2095 1 83 ASN H 1 84 LYS HA 5.500 . 5.500 5.295 5.260 5.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2096 1 83 ASN H 1 84 LYS QB 4.720 . 4.720 4.340 4.247 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2097 1 83 ASN H 1 85 PHE H 5.000 . 5.000 4.291 4.232 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2098 1 83 ASN HA 1 86 LYS H 4.040 . 4.040 3.181 3.017 3.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2099 1 83 ASN HA 1 86 LYS HB2 4.260 . 4.260 3.087 2.728 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2100 1 83 ASN HA 1 86 LYS QB 3.640 . 3.640 2.351 2.172 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2101 1 83 ASN HA 1 86 LYS HB3 4.260 . 4.260 2.441 2.236 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2102 1 83 ASN HA 1 86 LYS HD2 5.400 . 5.400 4.252 3.682 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2103 1 83 ASN HA 1 86 LYS QD 4.540 . 4.540 3.447 3.018 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2104 1 83 ASN HA 1 86 LYS HD3 5.400 . 5.400 3.651 3.195 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2105 1 83 ASN HA 1 86 LYS QE 5.500 . 5.500 5.478 5.158 5.554 0.054 30 0 "[ . 1 . 2 . 3 . 4]" 1 2106 1 83 ASN HA 1 87 ASN H 4.230 . 4.230 3.851 3.678 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2107 1 83 ASN HB2 1 84 LYS H 4.030 . 4.030 2.910 2.568 4.069 0.039 19 0 "[ . 1 . 2 . 3 . 4]" 1 2108 1 83 ASN HB3 1 84 LYS H 4.030 . 4.030 3.693 3.562 4.032 0.002 31 0 "[ . 1 . 2 . 3 . 4]" 1 2109 1 84 LYS H 1 84 LYS QB 2.990 . 2.990 2.225 2.200 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2110 1 84 LYS H 1 84 LYS HD2 5.260 . 5.260 4.908 4.849 5.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2111 1 84 LYS H 1 84 LYS QD 4.490 . 4.490 4.302 4.229 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2112 1 84 LYS H 1 84 LYS HD3 5.260 . 5.260 4.759 4.651 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2113 1 84 LYS H 1 84 LYS HG2 4.590 . 4.590 4.470 4.439 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2114 1 84 LYS H 1 84 LYS HG3 4.590 . 4.590 4.553 4.499 4.595 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1 2115 1 84 LYS H 1 85 PHE H 3.460 . 3.460 2.769 2.716 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2116 1 84 LYS H 1 85 PHE QB 5.500 . 5.500 4.657 4.530 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2117 1 84 LYS H 1 86 LYS H 4.720 . 4.720 4.045 3.898 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2118 1 84 LYS H 1 86 LYS QB 5.340 . 5.340 4.820 4.660 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2119 1 84 LYS HA 1 84 LYS QD 4.370 . 4.370 4.104 4.023 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2120 1 84 LYS HA 1 84 LYS HG2 4.020 . 4.020 3.191 3.091 3.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2121 1 84 LYS HA 1 84 LYS QG 3.410 . 3.410 2.608 2.454 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2122 1 84 LYS HA 1 84 LYS HG3 4.020 . 4.020 2.768 2.573 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2123 1 84 LYS HA 1 87 ASN H 4.090 . 4.090 3.637 3.441 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2124 1 84 LYS HA 1 87 ASN QB 4.440 . 4.440 3.103 2.628 4.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2125 1 84 LYS HA 1 87 ASN QD 5.060 . 5.060 3.644 2.500 5.066 0.006 6 0 "[ . 1 . 2 . 3 . 4]" 1 2126 1 84 LYS QB 1 84 LYS HD2 3.740 . 3.740 2.413 2.351 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2127 1 84 LYS QB 1 84 LYS HD3 3.740 . 3.740 2.292 2.223 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2128 1 84 LYS QB 1 84 LYS QE 3.890 . 3.890 3.574 3.533 3.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2129 1 84 LYS QB 1 85 PHE H 3.480 . 3.480 2.405 2.339 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2130 1 84 LYS QB 1 85 PHE QD 4.470 . 4.470 3.864 3.271 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2131 1 84 LYS QB 1 86 LYS H 5.010 . 5.010 4.632 4.536 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2132 1 84 LYS QD 1 85 PHE H 4.670 . 4.670 4.128 3.793 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2133 1 84 LYS HD2 1 85 PHE H 5.500 . 5.500 5.307 5.043 5.507 0.007 9 0 "[ . 1 . 2 . 3 . 4]" 1 2134 1 84 LYS HD3 1 85 PHE H 5.500 . 5.500 4.304 3.922 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2135 1 84 LYS QE 1 84 LYS HG2 3.380 . 3.380 2.417 2.366 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2136 1 84 LYS QE 1 84 LYS QG 2.920 . 2.920 2.227 2.165 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2137 1 84 LYS QE 1 84 LYS HG3 3.380 . 3.380 2.643 2.463 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2138 1 84 LYS QE 1 85 PHE H 5.500 . 5.500 5.311 5.074 5.508 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1 2139 1 84 LYS QE 1 85 PHE QE 4.820 . 4.820 4.661 4.146 4.857 0.037 9 0 "[ . 1 . 2 . 3 . 4]" 1 2140 1 84 LYS QE 1 88 MET ME 3.820 . 3.820 3.657 3.128 3.863 0.043 11 0 "[ . 1 . 2 . 3 . 4]" 1 2141 1 84 LYS QG 1 85 PHE H 4.100 . 4.100 3.445 3.301 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2142 1 84 LYS QG 1 88 MET ME 3.800 . 3.800 3.506 2.748 3.897 0.097 3 0 "[ . 1 . 2 . 3 . 4]" 1 2143 1 84 LYS HG2 1 85 PHE H 4.720 . 4.720 3.548 3.387 3.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2144 1 84 LYS HG3 1 85 PHE H 4.720 . 4.720 4.667 4.560 4.731 0.011 13 0 "[ . 1 . 2 . 3 . 4]" 1 2145 1 85 PHE H 1 85 PHE QB 3.390 . 3.390 2.304 2.226 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2146 1 85 PHE H 1 85 PHE QD 3.860 . 3.860 2.926 2.596 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2147 1 85 PHE H 1 85 PHE QE 4.890 . 4.890 4.745 4.641 4.898 0.008 19 0 "[ . 1 . 2 . 3 . 4]" 1 2148 1 85 PHE H 1 86 LYS H 3.520 . 3.520 2.674 2.532 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2149 1 85 PHE H 1 86 LYS HA 5.500 . 5.500 5.295 5.162 5.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2150 1 85 PHE H 1 86 LYS QB 5.340 . 5.340 4.431 4.288 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2151 1 85 PHE H 1 88 MET H 5.020 . 5.020 4.910 4.702 5.041 0.021 4 0 "[ . 1 . 2 . 3 . 4]" 1 2152 1 85 PHE H 1 88 MET ME 5.500 . 5.500 4.735 4.202 5.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2153 1 85 PHE HA 1 85 PHE QD 3.610 . 3.610 2.474 2.261 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2154 1 85 PHE HA 1 85 PHE QE 4.740 . 4.740 4.382 4.280 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2155 1 85 PHE HA 1 87 ASN H 5.010 . 5.010 4.489 4.331 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2156 1 85 PHE HA 1 88 MET H 3.880 . 3.880 3.433 3.253 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2157 1 85 PHE HA 1 88 MET ME 3.230 . 3.230 2.583 2.169 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2158 1 85 PHE HA 1 88 MET QG 4.090 . 4.090 3.240 2.343 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2159 1 85 PHE HA 1 89 PHE QE 5.060 . 5.060 4.629 4.365 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2160 1 85 PHE QB 1 86 LYS H 3.810 . 3.810 2.705 2.555 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2161 1 85 PHE QB 1 88 MET ME 4.440 . 4.440 3.843 3.606 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2162 1 85 PHE QB 1 121 PHE HZ 4.560 . 4.560 3.506 3.073 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2163 1 85 PHE QD 1 86 LYS H 4.890 . 4.890 4.518 4.402 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2164 1 85 PHE QD 1 88 MET QB 5.240 . 5.240 3.850 3.520 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2165 1 85 PHE QD 1 88 MET ME 3.300 . 3.300 2.294 2.161 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2166 1 85 PHE QD 1 88 MET QG 5.260 . 5.260 4.611 4.091 5.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2167 1 85 PHE QE 1 88 MET ME 3.450 . 3.450 2.723 2.393 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2168 1 85 PHE HZ 1 88 MET ME 5.420 . 5.420 4.456 4.053 5.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2169 1 86 LYS H 1 86 LYS HB2 3.530 . 3.530 2.425 2.329 2.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2170 1 86 LYS H 1 86 LYS HB3 3.530 . 3.530 2.605 2.540 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2171 1 86 LYS H 1 86 LYS QD 4.890 . 4.890 4.337 4.186 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2172 1 86 LYS H 1 86 LYS HG2 4.640 . 4.640 4.545 4.493 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2173 1 86 LYS H 1 86 LYS HG3 4.640 . 4.640 4.414 4.345 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2174 1 86 LYS H 1 87 ASN H 3.530 . 3.530 2.800 2.680 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2175 1 86 LYS H 1 88 MET H 4.660 . 4.660 4.169 4.010 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2176 1 86 LYS H 1 121 PHE QE 4.370 . 4.370 3.778 3.545 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2177 1 86 LYS H 1 121 PHE HZ 5.050 . 5.050 4.516 4.206 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2178 1 86 LYS HA 1 86 LYS HG2 3.940 . 3.940 3.169 2.994 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2179 1 86 LYS HA 1 86 LYS QG 3.430 . 3.430 2.359 2.258 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2180 1 86 LYS HA 1 86 LYS HG3 3.940 . 3.940 2.440 2.302 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2181 1 86 LYS HA 1 88 MET H 4.590 . 4.590 4.298 4.156 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2182 1 86 LYS HA 1 89 PHE H 4.190 . 4.190 3.655 3.520 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2183 1 86 LYS HA 1 89 PHE QB 5.010 . 5.010 3.262 3.039 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2184 1 86 LYS HA 1 89 PHE QD 4.820 . 4.820 3.589 3.129 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2185 1 86 LYS HA 1 90 LEU MD2 5.050 . 5.050 4.610 3.405 5.129 0.079 1 0 "[ . 1 . 2 . 3 . 4]" 1 2186 1 86 LYS HA 1 121 PHE QD 4.710 . 4.710 4.099 3.671 4.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2187 1 86 LYS HA 1 121 PHE QE 4.160 . 4.160 2.794 2.512 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2188 1 86 LYS HA 1 121 PHE HZ 4.170 . 4.170 2.590 2.437 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2189 1 86 LYS QB 1 86 LYS QD 3.330 . 3.330 2.117 2.046 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2190 1 86 LYS QB 1 87 ASN H 3.360 . 3.360 2.596 2.487 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2191 1 86 LYS QB 1 121 PHE QD 5.340 . 5.340 3.565 3.243 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2192 1 86 LYS QB 1 121 PHE QE 4.420 . 4.420 2.853 2.650 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2193 1 86 LYS HB2 1 87 ASN H 4.020 . 4.020 3.894 3.816 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2194 1 86 LYS HB3 1 87 ASN H 4.020 . 4.020 2.637 2.520 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2195 1 86 LYS QD 1 121 PHE QD 4.350 . 4.350 3.013 2.458 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2196 1 86 LYS QD 1 121 PHE QE 4.700 . 4.700 3.862 3.384 4.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2197 1 86 LYS HD2 1 121 PHE QE 5.500 . 5.500 3.980 3.451 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2198 1 86 LYS HD3 1 121 PHE QE 5.500 . 5.500 5.238 4.886 5.510 0.010 8 0 "[ . 1 . 2 . 3 . 4]" 1 2199 1 86 LYS QE 1 90 LEU MD1 3.530 . 3.530 2.405 2.001 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2200 1 86 LYS QE 1 90 LEU MD2 4.020 . 4.020 3.541 2.595 4.049 0.029 11 0 "[ . 1 . 2 . 3 . 4]" 1 2201 1 86 LYS QG 1 87 ASN H 4.090 . 4.090 3.791 3.604 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2202 1 86 LYS QG 1 90 LEU MD1 3.710 . 3.710 2.606 2.218 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2203 1 86 LYS QG 1 121 PHE HB3 4.880 . 4.880 3.621 3.235 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2204 1 86 LYS QG 1 121 PHE QD 4.620 . 4.620 3.195 2.942 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2205 1 86 LYS HG2 1 121 PHE QE 5.090 . 5.090 4.721 4.505 5.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2206 1 86 LYS HG3 1 121 PHE QE 5.090 . 5.090 3.415 3.125 3.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2207 1 87 ASN H 1 87 ASN QB 3.090 . 3.090 2.135 2.039 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2208 1 87 ASN H 1 87 ASN HD21 5.280 . 5.280 5.226 4.738 5.395 0.115 3 0 "[ . 1 . 2 . 3 . 4]" 1 2209 1 87 ASN H 1 87 ASN QD 4.460 . 4.460 3.981 3.214 4.508 0.048 6 0 "[ . 1 . 2 . 3 . 4]" 1 2210 1 87 ASN H 1 87 ASN HD22 5.280 . 5.280 4.169 3.267 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2211 1 87 ASN H 1 88 MET H 3.460 . 3.460 2.691 2.541 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2212 1 87 ASN H 1 89 PHE H 4.640 . 4.640 4.209 4.117 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2213 1 87 ASN HA 1 89 PHE H 4.090 . 4.090 3.857 3.709 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2214 1 87 ASN HA 1 90 LEU HB2 3.610 . 3.610 2.607 2.039 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2215 1 87 ASN HA 1 90 LEU MD1 4.040 . 4.040 3.747 3.129 4.129 0.089 32 0 "[ . 1 . 2 . 3 . 4]" 1 2216 1 87 ASN HA 1 90 LEU HG 3.890 . 3.890 3.606 2.946 3.900 0.010 23 0 "[ . 1 . 2 . 3 . 4]" 1 2217 1 87 ASN HA 1 91 VAL H 3.860 . 3.860 3.062 2.786 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2218 1 87 ASN HA 1 91 VAL HA 5.080 . 5.080 4.341 4.050 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2219 1 87 ASN HA 1 91 VAL QG 4.570 . 4.570 4.347 4.192 4.643 0.073 1 0 "[ . 1 . 2 . 3 . 4]" 1 2220 1 87 ASN HA 1 92 GLY H 5.500 . 5.500 4.400 3.739 5.513 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1 2221 1 87 ASN QB 1 88 MET H 3.670 . 3.670 3.009 2.653 3.711 0.041 9 0 "[ . 1 . 2 . 3 . 4]" 1 2222 1 87 ASN QB 1 91 VAL QG 4.360 . 4.360 4.555 4.160 4.741 0.381 10 0 "[ . 1 . 2 . 3 . 4]" 1 2223 1 87 ASN QD 1 88 MET HA 5.340 . 5.340 3.643 3.028 5.405 0.065 1 0 "[ . 1 . 2 . 3 . 4]" 1 2224 1 87 ASN QD 1 91 VAL QG 5.190 . 5.190 3.762 3.375 5.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2225 1 88 MET H 1 88 MET HB2 3.630 . 3.630 2.385 2.221 2.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2226 1 88 MET H 1 88 MET QB 3.170 . 3.170 2.351 2.198 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2227 1 88 MET H 1 88 MET HB3 3.630 . 3.630 3.585 3.520 3.631 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1 2228 1 88 MET H 1 88 MET ME 4.740 . 4.740 4.143 3.786 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2229 1 88 MET H 1 88 MET HG2 4.320 . 4.320 3.531 2.892 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2230 1 88 MET H 1 88 MET QG 3.590 . 3.590 2.460 2.284 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2231 1 88 MET H 1 88 MET HG3 4.320 . 4.320 2.519 2.358 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2232 1 88 MET H 1 89 PHE H 3.340 . 3.340 2.693 2.588 2.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2233 1 88 MET H 1 90 LEU H 4.790 . 4.790 4.194 4.002 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2234 1 88 MET H 1 91 VAL H 5.000 . 5.000 4.795 4.654 5.007 0.007 7 0 "[ . 1 . 2 . 3 . 4]" 1 2235 1 88 MET H 1 91 VAL QG 4.330 . 4.330 4.471 4.329 4.606 0.276 9 0 "[ . 1 . 2 . 3 . 4]" 1 2236 1 88 MET HA 1 88 MET ME 4.600 . 4.600 4.407 4.191 4.633 0.033 26 0 "[ . 1 . 2 . 3 . 4]" 1 2237 1 88 MET HA 1 88 MET HG2 3.910 . 3.910 2.458 2.174 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2238 1 88 MET HA 1 88 MET QG 3.370 . 3.370 2.288 2.144 2.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2239 1 88 MET HA 1 88 MET HG3 3.910 . 3.910 2.956 2.507 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2240 1 88 MET HA 1 90 LEU H 5.450 . 5.450 4.545 3.912 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2241 1 88 MET HA 1 91 VAL QG 3.890 . 3.890 2.698 2.455 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2242 1 88 MET QB 1 88 MET ME 3.330 . 3.330 2.203 2.055 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2243 1 88 MET QB 1 90 LEU H 5.340 . 5.340 4.843 4.614 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2244 1 88 MET HB2 1 89 PHE H 4.090 . 4.090 3.052 2.913 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2245 1 88 MET HB2 1 89 PHE QD 4.360 . 4.360 3.159 2.840 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2246 1 88 MET HB3 1 89 PHE H 4.090 . 4.090 3.830 3.616 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2247 1 88 MET HB3 1 89 PHE QD 4.360 . 4.360 4.114 3.620 4.373 0.013 1 0 "[ . 1 . 2 . 3 . 4]" 1 2248 1 88 MET ME 1 88 MET HG2 3.520 . 3.520 3.051 2.541 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2249 1 88 MET ME 1 88 MET HG3 3.520 . 3.520 2.889 2.373 3.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2250 1 88 MET ME 1 89 PHE QD 4.970 . 4.970 4.076 3.557 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2251 1 88 MET ME 1 89 PHE QE 3.970 . 3.970 3.655 3.274 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2252 1 88 MET ME 1 89 PHE HZ 5.470 . 5.470 5.267 4.891 5.481 0.011 13 0 "[ . 1 . 2 . 3 . 4]" 1 2253 1 88 MET QG 1 89 PHE QD 5.340 . 5.340 5.006 4.486 5.345 0.005 39 0 "[ . 1 . 2 . 3 . 4]" 1 2254 1 88 MET HG2 1 89 PHE H 5.200 . 5.200 5.114 4.831 5.237 0.037 30 0 "[ . 1 . 2 . 3 . 4]" 1 2255 1 88 MET HG3 1 89 PHE H 5.200 . 5.200 4.671 4.546 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2256 1 89 PHE H 1 89 PHE HB2 3.750 . 3.750 2.310 2.197 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2257 1 89 PHE H 1 89 PHE HB3 3.750 . 3.750 3.580 3.463 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2258 1 89 PHE H 1 89 PHE QD 3.380 . 3.380 2.750 2.508 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2259 1 89 PHE H 1 90 LEU H 3.250 . 3.250 2.322 2.194 2.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2260 1 89 PHE H 1 90 LEU HB2 4.870 . 4.870 4.499 4.000 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2261 1 89 PHE H 1 90 LEU MD2 4.960 . 4.960 4.426 3.206 4.996 0.036 8 0 "[ . 1 . 2 . 3 . 4]" 1 2262 1 89 PHE H 1 90 LEU HG 4.800 . 4.800 4.197 3.629 4.801 0.001 35 0 "[ . 1 . 2 . 3 . 4]" 1 2263 1 89 PHE H 1 91 VAL H 4.570 . 4.570 3.943 3.731 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2264 1 89 PHE H 1 113 ILE MD 5.460 . 5.460 5.308 4.933 5.499 0.039 25 0 "[ . 1 . 2 . 3 . 4]" 1 2265 1 89 PHE HA 1 89 PHE QD 3.500 . 3.500 2.970 2.809 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2266 1 89 PHE HA 1 89 PHE QE 5.460 . 5.460 4.529 4.440 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2267 1 89 PHE HA 1 91 VAL H 5.160 . 5.160 4.809 4.510 5.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2268 1 89 PHE HA 1 91 VAL QG 4.570 . 4.570 3.471 3.049 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2269 1 89 PHE HA 1 111 TYR QD 5.500 . 5.500 4.577 3.978 5.507 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1 2270 1 89 PHE HA 1 111 TYR QE 4.480 . 4.480 2.991 2.421 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2271 1 89 PHE QB 1 90 LEU H 3.590 . 3.590 2.870 2.560 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2272 1 89 PHE QB 1 90 LEU MD2 4.600 . 4.600 2.859 2.192 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2273 1 89 PHE QB 1 113 ILE MD 3.640 . 3.640 2.680 2.322 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2274 1 89 PHE QB 1 113 ILE MG 4.210 . 4.210 2.916 2.554 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2275 1 89 PHE QB 1 121 PHE QE 4.260 . 4.260 2.527 2.197 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2276 1 89 PHE HB2 1 90 LEU H 4.210 . 4.210 3.006 2.660 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2277 1 89 PHE HB2 1 113 ILE MD 4.260 . 4.260 3.495 3.090 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2278 1 89 PHE HB2 1 113 ILE MG 4.830 . 4.830 3.982 3.639 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2279 1 89 PHE HB2 1 121 PHE QE 4.880 . 4.880 2.731 2.351 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2280 1 89 PHE HB3 1 90 LEU H 4.210 . 4.210 3.644 3.100 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2281 1 89 PHE HB3 1 113 ILE MD 4.260 . 4.260 2.787 2.370 3.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2282 1 89 PHE HB3 1 113 ILE MG 4.830 . 4.830 3.000 2.602 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2283 1 89 PHE HB3 1 121 PHE QE 4.880 . 4.880 2.996 2.516 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2284 1 89 PHE QD 1 90 LEU H 5.210 . 5.210 4.531 4.291 4.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2285 1 89 PHE QD 1 90 LEU MD2 4.820 . 4.820 4.633 3.999 4.927 0.107 29 0 "[ . 1 . 2 . 3 . 4]" 1 2286 1 89 PHE QD 1 111 TYR QE 4.140 . 4.140 2.487 2.150 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2287 1 89 PHE QD 1 113 ILE MD 3.970 . 3.970 3.918 3.470 4.025 0.055 38 0 "[ . 1 . 2 . 3 . 4]" 1 2288 1 89 PHE QD 1 113 ILE HG12 4.970 . 4.970 3.091 2.493 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2289 1 89 PHE QD 1 113 ILE HG13 5.430 . 5.430 4.722 4.199 5.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2290 1 89 PHE QD 1 113 ILE MG 3.780 . 3.780 2.243 2.048 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2291 1 89 PHE QD 1 117 VAL HB 5.420 . 5.420 4.084 3.823 5.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2292 1 89 PHE QD 1 117 VAL MG1 4.830 . 4.830 3.332 2.964 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2293 1 89 PHE QD 1 117 VAL QG 4.040 . 4.040 3.074 2.825 3.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2294 1 89 PHE QD 1 117 VAL MG2 4.830 . 4.830 3.615 3.294 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2295 1 89 PHE QD 1 121 PHE QE 4.340 . 4.340 3.290 3.010 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2296 1 89 PHE QD 1 121 PHE HZ 4.270 . 4.270 2.763 2.421 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2297 1 89 PHE QE 1 113 ILE MD 5.500 . 5.500 5.469 5.016 5.604 0.104 24 0 "[ . 1 . 2 . 3 . 4]" 1 2298 1 89 PHE QE 1 113 ILE MG 4.420 . 4.420 3.304 2.841 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2299 1 89 PHE QE 1 114 PRO QG 4.650 . 4.650 3.362 2.680 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2300 1 89 PHE QE 1 117 VAL HB 5.470 . 5.470 4.035 3.727 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2301 1 89 PHE QE 1 117 VAL MG1 4.800 . 4.800 2.864 2.513 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2302 1 89 PHE QE 1 117 VAL QG 3.610 . 3.610 2.276 2.137 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2303 1 89 PHE QE 1 117 VAL MG2 4.800 . 4.800 2.402 2.184 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2304 1 89 PHE QE 1 121 PHE HZ 4.800 . 4.800 3.832 3.283 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2305 1 89 PHE HZ 1 117 VAL MG1 4.930 . 4.930 3.092 2.915 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2306 1 89 PHE HZ 1 117 VAL QG 3.870 . 3.870 2.579 2.372 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2307 1 89 PHE HZ 1 117 VAL MG2 4.930 . 4.930 2.775 2.475 3.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2308 1 90 LEU H 1 90 LEU HB2 3.370 . 3.370 2.436 2.165 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2309 1 90 LEU H 1 90 LEU HB3 3.600 . 3.600 3.593 3.451 3.645 0.045 26 0 "[ . 1 . 2 . 3 . 4]" 1 2310 1 90 LEU H 1 90 LEU MD1 3.850 . 3.850 3.877 3.501 4.041 0.191 24 0 "[ . 1 . 2 . 3 . 4]" 1 2311 1 90 LEU H 1 90 LEU MD2 3.540 . 3.540 3.059 2.268 3.616 0.076 26 0 "[ . 1 . 2 . 3 . 4]" 1 2312 1 90 LEU H 1 90 LEU HG 3.480 . 3.480 2.659 2.166 3.487 0.007 24 0 "[ . 1 . 2 . 3 . 4]" 1 2313 1 90 LEU H 1 91 VAL QG 4.200 . 4.200 3.394 2.870 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2314 1 90 LEU HA 1 90 LEU MD1 4.470 . 4.470 3.547 2.544 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2315 1 90 LEU HA 1 90 LEU HG 4.170 . 4.170 3.408 3.129 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2316 1 90 LEU HA 1 91 VAL QG 4.880 . 4.880 3.855 3.487 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2317 1 90 LEU HA 1 92 GLY H 5.500 . 5.500 4.677 3.871 5.514 0.014 20 0 "[ . 1 . 2 . 3 . 4]" 1 2318 1 90 LEU HA 1 111 TYR QD 4.320 . 4.320 3.213 2.437 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2319 1 90 LEU HA 1 111 TYR QE 4.630 . 4.630 4.224 3.053 4.657 0.027 24 0 "[ . 1 . 2 . 3 . 4]" 1 2320 1 90 LEU HA 1 113 ILE MD 3.930 . 3.930 3.803 2.817 4.030 0.100 27 0 "[ . 1 . 2 . 3 . 4]" 1 2321 1 90 LEU HA 1 113 ILE HG12 5.500 . 5.500 4.627 4.109 5.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2322 1 90 LEU HB2 1 90 LEU MD1 3.160 . 3.160 2.457 2.235 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2323 1 90 LEU HB2 1 90 LEU MD2 3.440 . 3.440 3.196 3.004 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2324 1 90 LEU HB2 1 91 VAL H 3.870 . 3.870 2.513 2.210 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2325 1 90 LEU HB2 1 91 VAL QG 4.230 . 4.230 4.212 4.002 4.352 0.122 20 0 "[ . 1 . 2 . 3 . 4]" 1 2326 1 90 LEU HB3 1 90 LEU MD1 3.100 . 3.100 2.169 1.920 2.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2327 1 90 LEU HB3 1 90 LEU MD2 3.210 . 3.210 2.634 2.377 3.221 0.011 24 0 "[ . 1 . 2 . 3 . 4]" 1 2328 1 90 LEU HB3 1 91 VAL H 3.890 . 3.890 3.559 3.199 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2329 1 90 LEU HB3 1 91 VAL QG 4.950 . 4.950 4.708 4.364 4.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2330 1 90 LEU MD1 1 91 VAL H 4.890 . 4.890 4.540 4.159 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2331 1 90 LEU MD1 1 111 TYR QD 5.500 . 5.500 5.768 5.609 5.998 0.498 1 0 "[ . 1 . 2 . 3 . 4]" 1 2332 1 90 LEU MD1 1 121 PHE HB3 5.280 . 5.280 4.565 4.107 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2333 1 90 LEU MD1 1 121 PHE QD 4.900 . 4.900 4.859 4.678 4.966 0.066 38 0 "[ . 1 . 2 . 3 . 4]" 1 2334 1 90 LEU MD1 1 121 PHE QE 5.340 . 5.340 5.345 4.951 5.447 0.107 4 0 "[ . 1 . 2 . 3 . 4]" 1 2335 1 90 LEU MD2 1 91 VAL H 5.260 . 5.260 4.498 4.259 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2336 1 90 LEU MD2 1 111 TYR QD 4.640 . 4.640 3.642 3.125 4.660 0.020 6 0 "[ . 1 . 2 . 3 . 4]" 1 2337 1 90 LEU MD2 1 111 TYR QE 4.860 . 4.860 3.951 3.013 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2338 1 90 LEU MD2 1 113 ILE MD 3.130 . 3.130 1.946 1.877 2.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2339 1 90 LEU MD2 1 121 PHE HB3 5.500 . 5.500 4.349 3.512 5.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2340 1 90 LEU MD2 1 121 PHE QD 4.310 . 4.310 3.770 2.999 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2341 1 90 LEU MD2 1 121 PHE QE 4.810 . 4.810 4.080 3.109 4.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2342 1 90 LEU HG 1 91 VAL H 4.540 . 4.540 4.303 4.056 4.546 0.006 33 0 "[ . 1 . 2 . 3 . 4]" 1 2343 1 91 VAL H 1 91 VAL HB 4.000 . 4.000 3.706 3.540 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2344 1 91 VAL H 1 91 VAL QG 2.940 . 2.940 2.329 2.194 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2345 1 91 VAL H 1 92 GLY H 3.380 . 3.380 3.049 2.743 3.388 0.008 35 0 "[ . 1 . 2 . 3 . 4]" 1 2346 1 91 VAL HA 1 91 VAL QG 2.800 . 2.800 2.100 2.055 2.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2347 1 91 VAL HB 1 92 GLY H 4.540 . 4.540 4.391 4.189 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2348 1 91 VAL HB 1 92 GLY QA 4.930 . 4.930 4.634 4.405 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2349 1 91 VAL QG 1 92 GLY H 3.640 . 3.640 3.656 2.732 3.790 0.150 30 0 "[ . 1 . 2 . 3 . 4]" 1 2350 1 91 VAL QG 1 92 GLY QA 3.930 . 3.930 4.036 3.569 4.197 0.267 3 0 "[ . 1 . 2 . 3 . 4]" 1 2351 1 91 VAL QG 1 93 GLU H 4.420 . 4.420 3.677 2.706 4.678 0.258 35 0 "[ . 1 . 2 . 3 . 4]" 1 2352 1 91 VAL QG 1 93 GLU QG 4.630 . 4.630 3.256 2.030 4.842 0.212 6 0 "[ . 1 . 2 . 3 . 4]" 1 2353 1 91 VAL QG 1 111 TYR QD 5.030 . 5.030 4.593 3.259 5.110 0.080 10 0 "[ . 1 . 2 . 3 . 4]" 1 2354 1 91 VAL QG 1 111 TYR QE 4.840 . 4.840 4.754 3.990 4.964 0.124 29 0 "[ . 1 . 2 . 3 . 4]" 1 2355 1 92 GLY QA 1 93 GLU H 2.990 . 2.990 2.680 2.098 2.992 0.002 37 0 "[ . 1 . 2 . 3 . 4]" 1 2356 1 92 GLY QA 1 94 GLY H 4.370 . 4.370 3.360 2.935 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2357 1 93 GLU H 1 93 GLU QB 3.150 . 3.150 2.702 2.322 3.224 0.074 32 0 "[ . 1 . 2 . 3 . 4]" 1 2358 1 93 GLU H 1 93 GLU QG 3.730 . 3.730 2.262 1.811 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2359 1 93 GLU H 1 94 GLY H 3.970 . 3.970 2.751 1.843 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2360 1 93 GLU HA 1 93 GLU QG 3.760 . 3.760 2.776 2.127 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2361 1 93 GLU QB 1 94 GLY H 4.100 . 4.100 3.494 2.669 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2362 1 93 GLU HB2 1 94 GLY H 4.710 . 4.710 3.786 2.758 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2363 1 93 GLU HB3 1 94 GLY H 4.710 . 4.710 4.231 3.559 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2364 1 93 GLU QG 1 94 GLY H 4.950 . 4.950 3.997 2.463 4.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2365 1 94 GLY H 1 95 ASP H 4.450 . 4.450 3.632 2.491 4.457 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1 2366 1 94 GLY QA 1 95 ASP H 3.110 . 3.110 2.450 2.031 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2367 1 95 ASP H 1 95 ASP QB 3.370 . 3.370 2.564 2.068 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2368 1 95 ASP HA 1 96 SER H 3.520 . 3.520 2.748 2.025 3.549 0.029 34 0 "[ . 1 . 2 . 3 . 4]" 1 2369 1 95 ASP QB 1 96 SER H 4.480 . 4.480 3.152 1.633 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2370 1 95 ASP QB 1 97 VAL QG 4.450 . 4.450 3.339 2.107 4.622 0.172 6 0 "[ . 1 . 2 . 3 . 4]" 1 2371 1 95 ASP HB2 1 97 VAL QG 5.220 . 5.220 4.262 2.555 5.350 0.130 35 0 "[ . 1 . 2 . 3 . 4]" 1 2372 1 95 ASP HB3 1 97 VAL QG 5.220 . 5.220 3.653 2.124 5.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2373 1 96 SER H 1 96 SER QB 3.810 . 3.810 2.750 2.257 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2374 1 96 SER H 1 97 VAL QG 3.800 . 3.800 3.469 2.561 3.916 0.116 21 0 "[ . 1 . 2 . 3 . 4]" 1 2375 1 96 SER HA 1 97 VAL H 3.060 . 3.060 2.745 2.182 3.104 0.044 18 0 "[ . 1 . 2 . 3 . 4]" 1 2376 1 96 SER HA 1 97 VAL QG 5.160 . 5.160 3.992 2.992 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2377 1 96 SER QB 1 97 VAL H 4.100 . 4.100 3.669 1.837 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2378 1 97 VAL H 1 97 VAL HB 3.960 . 3.960 3.313 2.511 3.965 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1 2379 1 97 VAL H 1 97 VAL QG 3.140 . 3.140 2.196 1.786 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2380 1 97 VAL HA 1 97 VAL QG 2.940 . 2.940 2.201 2.090 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2381 1 97 VAL HA 1 98 ILE H 2.880 . 2.880 2.353 2.085 2.911 0.031 27 0 "[ . 1 . 2 . 3 . 4]" 1 2382 1 97 VAL HB 1 98 ILE H 4.590 . 4.590 3.582 2.367 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2383 1 97 VAL HB 1 98 ILE HA 5.180 . 5.180 4.730 4.369 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2384 1 97 VAL HB 1 98 ILE MD 5.230 . 5.230 4.898 4.080 5.301 0.071 4 0 "[ . 1 . 2 . 3 . 4]" 1 2385 1 97 VAL QG 1 98 ILE H 3.630 . 3.630 3.185 1.734 3.797 0.167 35 0 "[ . 1 . 2 . 3 . 4]" 1 2386 1 97 VAL QG 1 98 ILE HA 4.300 . 4.300 4.002 3.544 4.414 0.114 26 0 "[ . 1 . 2 . 3 . 4]" 1 2387 1 98 ILE H 1 98 ILE HB 3.170 . 3.170 2.648 2.433 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2388 1 98 ILE H 1 98 ILE MD 4.360 . 4.360 2.882 2.017 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2389 1 98 ILE H 1 98 ILE QG 3.460 . 3.460 2.907 2.100 3.465 0.005 14 0 "[ . 1 . 2 . 3 . 4]" 1 2390 1 98 ILE H 1 98 ILE MG 4.040 . 4.040 3.887 3.770 4.046 0.006 21 0 "[ . 1 . 2 . 3 . 4]" 1 2391 1 98 ILE H 1 99 THR H 4.420 . 4.420 4.237 3.462 4.455 0.035 25 0 "[ . 1 . 2 . 3 . 4]" 1 2392 1 98 ILE H 1 99 THR MG 5.010 . 5.010 4.494 3.044 5.125 0.115 12 0 "[ . 1 . 2 . 3 . 4]" 1 2393 1 98 ILE HA 1 98 ILE MD 3.810 . 3.810 3.094 2.157 3.896 0.086 39 0 "[ . 1 . 2 . 3 . 4]" 1 2394 1 98 ILE HA 1 98 ILE HG12 4.190 . 4.190 3.345 2.581 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2395 1 98 ILE HA 1 98 ILE HG13 4.190 . 4.190 2.983 2.332 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2396 1 98 ILE HA 1 98 ILE MG 3.210 . 3.210 2.398 2.306 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2397 1 98 ILE HA 1 99 THR H 3.110 . 3.110 2.216 2.054 3.140 0.030 21 0 "[ . 1 . 2 . 3 . 4]" 1 2398 1 98 ILE HA 1 99 THR MG 5.500 . 5.500 3.881 3.382 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2399 1 98 ILE HB 1 98 ILE MD 3.540 . 3.540 2.665 2.208 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2400 1 98 ILE HB 1 99 THR H 4.450 . 4.450 4.207 1.942 4.470 0.020 3 0 "[ . 1 . 2 . 3 . 4]" 1 2401 1 98 ILE QG 1 98 ILE MG 2.950 . 2.950 2.159 2.018 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2402 1 98 ILE HG12 1 98 ILE MG 3.450 . 3.450 2.553 2.072 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2403 1 98 ILE HG13 1 98 ILE MG 3.450 . 3.450 2.635 2.307 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2404 1 98 ILE MG 1 99 THR H 3.950 . 3.950 2.937 1.848 3.981 0.031 27 0 "[ . 1 . 2 . 3 . 4]" 1 2405 1 98 ILE MG 1 99 THR HA 4.320 . 4.320 4.042 3.395 4.346 0.026 36 0 "[ . 1 . 2 . 3 . 4]" 1 2406 1 98 ILE MG 1 100 GLN H 4.660 . 4.660 3.338 1.697 4.809 0.149 2 0 "[ . 1 . 2 . 3 . 4]" 1 2407 1 98 ILE MG 1 100 GLN QG 5.500 . 5.500 3.863 2.047 5.573 0.073 14 0 "[ . 1 . 2 . 3 . 4]" 1 2408 1 99 THR H 1 99 THR MG 3.850 . 3.850 2.563 2.014 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2409 1 99 THR H 1 100 GLN H 4.310 . 4.310 3.169 1.890 4.356 0.046 17 0 "[ . 1 . 2 . 3 . 4]" 1 2410 1 99 THR HA 1 99 THR MG 2.950 . 2.950 2.373 2.174 3.160 0.210 21 0 "[ . 1 . 2 . 3 . 4]" 1 2411 1 99 THR HA 1 100 GLN H 3.490 . 3.490 2.995 2.002 3.515 0.025 30 0 "[ . 1 . 2 . 3 . 4]" 1 2412 1 99 THR MG 1 100 GLN H 4.520 . 4.520 4.001 3.148 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2413 1 100 GLN H 1 100 GLN QB 3.550 . 3.550 2.842 2.289 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2414 1 100 GLN H 1 100 GLN QG 4.300 . 4.300 2.776 1.925 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2415 1 100 GLN H 1 101 VAL H 3.500 . 3.500 2.967 2.212 3.523 0.023 26 0 "[ . 1 . 2 . 3 . 4]" 1 2416 1 100 GLN H 1 101 VAL HA 5.500 . 5.500 4.948 4.107 5.504 0.004 16 0 "[ . 1 . 2 . 3 . 4]" 1 2417 1 100 GLN H 1 101 VAL QG 5.380 . 5.380 3.783 2.393 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2418 1 100 GLN HA 1 101 VAL H 3.020 . 3.020 2.756 2.177 3.045 0.025 21 0 "[ . 1 . 2 . 3 . 4]" 1 2419 1 100 GLN QB 1 101 VAL QG 4.240 . 4.240 3.950 3.206 4.734 0.494 25 0 "[ . 1 . 2 . 3 . 4]" 1 2420 1 100 GLN QG 1 101 VAL H 4.860 . 4.860 4.441 3.611 4.869 0.009 38 0 "[ . 1 . 2 . 3 . 4]" 1 2421 1 100 GLN QG 1 101 VAL QG 5.500 . 5.500 4.780 2.616 5.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2422 1 101 VAL H 1 101 VAL HB 3.080 . 3.080 2.636 2.409 3.153 0.073 20 0 "[ . 1 . 2 . 3 . 4]" 1 2423 1 101 VAL H 1 101 VAL QG 3.190 . 3.190 2.453 1.793 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2424 1 101 VAL H 1 102 LEU H 4.580 . 4.580 4.286 3.255 4.602 0.022 25 0 "[ . 1 . 2 . 3 . 4]" 1 2425 1 101 VAL HA 1 102 LEU H 2.970 . 2.970 2.211 2.079 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2426 1 101 VAL HA 1 102 LEU HA 5.400 . 5.400 4.419 4.315 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2427 1 101 VAL HB 1 102 LEU H 4.510 . 4.510 4.225 3.516 4.528 0.018 5 0 "[ . 1 . 2 . 3 . 4]" 1 2428 1 101 VAL QG 1 102 LEU H 3.830 . 3.830 2.815 2.044 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2429 1 102 LEU H 1 102 LEU HB2 3.820 . 3.820 2.442 2.050 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2430 1 102 LEU H 1 102 LEU QB 3.090 . 3.090 2.364 2.029 2.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2431 1 102 LEU H 1 102 LEU HB3 3.820 . 3.820 3.446 2.378 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2432 1 102 LEU H 1 102 LEU MD1 4.500 . 4.500 3.694 2.379 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2433 1 102 LEU H 1 102 LEU QD 3.890 . 3.890 3.197 2.304 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2434 1 102 LEU H 1 102 LEU MD2 4.500 . 4.500 3.662 2.324 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2435 1 102 LEU H 1 102 LEU HG 4.680 . 4.680 3.187 2.129 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2436 1 102 LEU H 1 103 ASN H 4.430 . 4.430 3.587 1.875 4.469 0.039 11 0 "[ . 1 . 2 . 3 . 4]" 1 2437 1 102 LEU HA 1 102 LEU QD 3.020 . 3.020 2.226 1.965 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2438 1 102 LEU HA 1 103 ASN H 3.520 . 3.520 2.707 2.045 3.539 0.019 24 0 "[ . 1 . 2 . 3 . 4]" 1 2439 1 102 LEU HB2 1 103 ASN H 5.140 . 5.140 3.859 2.308 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2440 1 102 LEU HB3 1 103 ASN H 5.140 . 5.140 3.693 1.806 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2441 1 103 ASN H 1 103 ASN QB 3.780 . 3.780 2.681 2.167 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2442 1 103 ASN QB 1 104 LYS H 4.430 . 4.430 3.346 2.133 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2443 1 104 LYS HA 1 104 LYS QD 4.560 . 4.560 3.870 2.119 4.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2444 1 104 LYS HA 1 104 LYS HG2 4.070 . 4.070 2.909 2.383 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2445 1 104 LYS HA 1 104 LYS HG3 4.070 . 4.070 3.099 2.449 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2446 1 106 GLU H 1 106 GLU QB 3.600 . 3.600 2.876 2.326 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2447 1 106 GLU H 1 106 GLU HG2 4.150 . 4.150 3.030 2.025 4.157 0.007 35 0 "[ . 1 . 2 . 3 . 4]" 1 2448 1 106 GLU H 1 106 GLU QG 3.600 . 3.600 2.531 2.003 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2449 1 106 GLU H 1 106 GLU HG3 4.150 . 4.150 3.126 2.248 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2450 1 106 GLU H 1 107 LEU H 4.650 . 4.650 4.322 2.399 4.659 0.009 12 0 "[ . 1 . 2 . 3 . 4]" 1 2451 1 106 GLU HA 1 107 LEU H 3.040 . 3.040 2.512 2.129 3.067 0.027 24 0 "[ . 1 . 2 . 3 . 4]" 1 2452 1 106 GLU QB 1 106 GLU QG 2.350 . 2.350 2.087 1.985 2.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2453 1 106 GLU QB 1 107 LEU H 3.800 . 3.800 2.501 1.722 3.871 0.071 32 0 "[ . 1 . 2 . 3 . 4]" 1 2454 1 106 GLU HB2 1 107 LEU H 4.390 . 4.390 3.134 1.948 4.397 0.007 19 0 "[ . 1 . 2 . 3 . 4]" 1 2455 1 106 GLU HB3 1 107 LEU H 4.390 . 4.390 3.115 1.773 4.399 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1 2456 1 107 LEU H 1 107 LEU QB 3.020 . 3.020 2.522 2.041 3.100 0.080 4 0 "[ . 1 . 2 . 3 . 4]" 1 2457 1 107 LEU H 1 107 LEU MD1 4.470 . 4.470 3.902 2.480 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2458 1 107 LEU H 1 107 LEU QD 3.930 . 3.930 3.063 2.021 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2459 1 107 LEU H 1 107 LEU MD2 4.470 . 4.470 3.434 2.028 4.556 0.086 30 0 "[ . 1 . 2 . 3 . 4]" 1 2460 1 107 LEU H 1 107 LEU HG 4.870 . 4.870 3.813 2.033 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2461 1 107 LEU HA 1 107 LEU MD1 3.860 . 3.860 2.994 2.093 3.952 0.092 20 0 "[ . 1 . 2 . 3 . 4]" 1 2462 1 107 LEU HA 1 107 LEU QD 3.380 . 3.380 2.321 1.937 3.449 0.069 7 0 "[ . 1 . 2 . 3 . 4]" 1 2463 1 107 LEU HA 1 107 LEU MD2 3.860 . 3.860 2.836 2.093 3.938 0.078 31 0 "[ . 1 . 2 . 3 . 4]" 1 2464 1 107 LEU HA 1 107 LEU HG 3.920 . 3.920 3.282 2.388 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2465 1 107 LEU HA 1 108 ALA H 3.220 . 3.220 2.416 2.056 3.325 0.105 4 0 "[ . 1 . 2 . 3 . 4]" 1 2466 1 107 LEU QB 1 108 ALA H 3.810 . 3.810 2.859 1.595 3.866 0.056 7 0 "[ . 1 . 2 . 3 . 4]" 1 2467 1 107 LEU HB2 1 108 ALA H 4.620 . 4.620 3.822 2.579 4.622 0.002 15 0 "[ . 1 . 2 . 3 . 4]" 1 2468 1 107 LEU HB3 1 108 ALA H 4.620 . 4.620 3.117 1.599 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2469 1 107 LEU QD 1 108 ALA H 4.500 . 4.500 3.206 1.922 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2470 1 107 LEU QD 1 108 ALA MB 4.410 . 4.410 4.248 2.994 4.725 0.315 40 0 "[ . 1 . 2 . 3 . 4]" 1 2471 1 107 LEU MD1 1 108 ALA H 5.140 . 5.140 3.758 1.928 5.225 0.085 21 0 "[ . 1 . 2 . 3 . 4]" 1 2472 1 107 LEU MD2 1 108 ALA H 5.140 . 5.140 4.005 3.052 5.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2473 1 107 LEU HG 1 108 ALA H 5.350 . 5.350 4.264 2.385 5.358 0.008 24 0 "[ . 1 . 2 . 3 . 4]" 1 2474 1 108 ALA H 1 108 ALA MB 3.110 . 3.110 2.563 2.227 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2475 1 108 ALA H 1 109 THR H 4.490 . 4.490 3.641 2.006 4.534 0.044 25 0 "[ . 1 . 2 . 3 . 4]" 1 2476 1 108 ALA HA 1 109 THR H 3.260 . 3.260 2.637 2.125 3.330 0.070 11 0 "[ . 1 . 2 . 3 . 4]" 1 2477 1 108 ALA MB 1 109 THR H 3.790 . 3.790 3.093 1.755 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2478 1 109 THR H 1 109 THR HB 3.670 . 3.670 3.070 2.562 3.682 0.012 9 0 "[ . 1 . 2 . 3 . 4]" 1 2479 1 109 THR H 1 109 THR MG 3.950 . 3.950 3.058 1.898 3.975 0.025 16 0 "[ . 1 . 2 . 3 . 4]" 1 2480 1 109 THR H 1 110 ARG H 4.460 . 4.460 4.149 2.539 4.509 0.049 7 0 "[ . 1 . 2 . 3 . 4]" 1 2481 1 109 THR HA 1 109 THR MG 3.190 . 3.190 2.498 2.169 3.243 0.053 19 0 "[ . 1 . 2 . 3 . 4]" 1 2482 1 109 THR HA 1 110 ARG H 3.260 . 3.260 2.394 2.037 3.287 0.027 10 0 "[ . 1 . 2 . 3 . 4]" 1 2483 1 109 THR MG 1 110 ARG H 4.510 . 4.510 3.390 2.235 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2484 1 110 ARG H 1 110 ARG QB 3.340 . 3.340 3.011 2.409 3.428 0.088 10 0 "[ . 1 . 2 . 3 . 4]" 1 2485 1 110 ARG H 1 110 ARG QG 4.000 . 4.000 2.657 2.100 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2486 1 110 ARG H 1 111 TYR H 4.640 . 4.640 4.460 4.205 4.656 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1 2487 1 110 ARG HA 1 110 ARG QG 3.580 . 3.580 2.958 2.364 3.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2488 1 110 ARG HA 1 111 TYR H 3.030 . 3.030 2.405 2.158 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2489 1 110 ARG HA 1 111 TYR HB3 4.540 . 4.540 4.172 3.886 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2490 1 110 ARG HA 1 111 TYR QD 4.290 . 4.290 3.864 3.365 4.299 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1 2491 1 110 ARG QB 1 110 ARG QD 3.190 . 3.190 2.164 2.058 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2492 1 110 ARG QB 1 111 TYR H 3.670 . 3.670 2.484 1.800 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2493 1 110 ARG QB 1 111 TYR QD 4.420 . 4.420 3.864 3.269 4.452 0.032 31 0 "[ . 1 . 2 . 3 . 4]" 1 2494 1 110 ARG QG 1 111 TYR H 4.330 . 4.330 3.812 3.312 4.343 0.013 30 0 "[ . 1 . 2 . 3 . 4]" 1 2495 1 111 TYR H 1 111 TYR HB2 3.990 . 3.990 3.722 3.510 3.997 0.007 16 0 "[ . 1 . 2 . 3 . 4]" 1 2496 1 111 TYR H 1 111 TYR HB3 3.410 . 3.410 2.652 2.241 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2497 1 111 TYR H 1 111 TYR QD 4.000 . 4.000 2.167 1.688 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2498 1 111 TYR H 1 112 GLN H 4.420 . 4.420 4.330 2.476 4.469 0.049 37 0 "[ . 1 . 2 . 3 . 4]" 1 2499 1 111 TYR HA 1 111 TYR QD 3.790 . 3.790 3.769 3.737 3.801 0.011 12 0 "[ . 1 . 2 . 3 . 4]" 1 2500 1 111 TYR HA 1 112 GLN H 3.050 . 3.050 2.645 2.477 3.089 0.039 3 0 "[ . 1 . 2 . 3 . 4]" 1 2501 1 111 TYR HA 1 112 GLN QG 4.510 . 4.510 3.825 3.425 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2502 1 111 TYR HB2 1 112 GLN H 4.250 . 4.250 2.531 2.204 4.300 0.050 3 0 "[ . 1 . 2 . 3 . 4]" 1 2503 1 111 TYR HB3 1 112 GLN H 4.270 . 4.270 3.830 3.653 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2504 1 111 TYR QD 1 112 GLN H 4.240 . 4.240 2.701 2.201 3.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2505 1 111 TYR QD 1 112 GLN QB 4.870 . 4.870 3.665 3.087 4.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2506 1 111 TYR QD 1 113 ILE HA 5.500 . 5.500 4.125 3.971 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2507 1 111 TYR QD 1 113 ILE MD 4.340 . 4.340 3.821 3.446 4.388 0.048 8 0 "[ . 1 . 2 . 3 . 4]" 1 2508 1 111 TYR QD 1 113 ILE MG 5.500 . 5.500 4.735 4.537 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2509 1 111 TYR QE 1 112 GLN QB 5.340 . 5.340 4.506 3.639 5.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2510 1 111 TYR QE 1 113 ILE HA 5.110 . 5.110 3.069 2.993 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2511 1 111 TYR QE 1 113 ILE MD 4.500 . 4.500 3.611 3.397 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2512 1 111 TYR QE 1 113 ILE HG12 4.800 . 4.800 2.209 2.010 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2513 1 111 TYR QE 1 113 ILE HG13 4.590 . 4.590 3.450 2.904 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2514 1 111 TYR QE 1 113 ILE MG 4.330 . 4.330 3.261 3.032 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2515 1 111 TYR QE 1 114 PRO HD3 5.140 . 5.140 2.989 2.663 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2516 1 112 GLN H 1 112 GLN HB2 3.800 . 3.800 2.596 2.348 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2517 1 112 GLN H 1 112 GLN HB3 3.800 . 3.800 3.591 2.959 3.887 0.087 3 0 "[ . 1 . 2 . 3 . 4]" 1 2518 1 112 GLN H 1 112 GLN QG 3.770 . 3.770 2.407 1.820 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2519 1 112 GLN H 1 113 ILE H 4.490 . 4.490 3.995 3.189 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2520 1 112 GLN HA 1 112 GLN QG 3.340 . 3.340 2.487 2.361 3.360 0.020 30 0 "[ . 1 . 2 . 3 . 4]" 1 2521 1 112 GLN HA 1 113 ILE H 2.850 . 2.850 2.263 2.125 2.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2522 1 112 GLN HA 1 113 ILE HB 4.910 . 4.910 4.680 4.477 4.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2523 1 112 GLN HA 1 113 ILE HG12 5.500 . 5.500 5.469 5.200 5.516 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1 2524 1 112 GLN HA 1 113 ILE HG13 4.270 . 4.270 3.974 3.685 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2525 1 112 GLN QB 1 113 ILE H 4.360 . 4.360 3.783 3.495 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2526 1 112 GLN QG 1 113 ILE H 4.580 . 4.580 4.427 4.305 4.616 0.036 9 0 "[ . 1 . 2 . 3 . 4]" 1 2527 1 113 ILE H 1 113 ILE HB 3.180 . 3.180 2.594 2.517 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2528 1 113 ILE H 1 113 ILE MD 4.390 . 4.390 3.362 3.288 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2529 1 113 ILE H 1 113 ILE HG12 3.950 . 3.950 3.373 3.254 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2530 1 113 ILE H 1 113 ILE HG13 3.560 . 3.560 1.959 1.912 2.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2531 1 113 ILE H 1 113 ILE MG 3.900 . 3.900 3.795 3.757 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2532 1 113 ILE H 1 114 PRO HD2 5.100 . 5.100 5.106 5.007 5.117 0.017 8 0 "[ . 1 . 2 . 3 . 4]" 1 2533 1 113 ILE HA 1 113 ILE HG12 4.120 . 4.120 2.739 2.608 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2534 1 113 ILE HA 1 113 ILE HG13 4.040 . 4.040 2.982 2.950 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2535 1 113 ILE HA 1 113 ILE MG 3.160 . 3.160 2.421 2.385 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2536 1 113 ILE HA 1 114 PRO HD2 3.630 . 3.630 2.470 2.318 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2537 1 113 ILE HA 1 114 PRO QG 4.510 . 4.510 3.919 3.839 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2538 1 113 ILE HA 1 117 VAL QG 5.090 . 5.090 4.518 4.124 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2539 1 113 ILE HB 1 113 ILE MD 3.220 . 3.220 2.275 2.186 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2540 1 113 ILE HB 1 114 PRO HD2 4.180 . 4.180 4.202 4.185 4.216 0.036 37 0 "[ . 1 . 2 . 3 . 4]" 1 2541 1 113 ILE HB 1 117 VAL QG 5.440 . 5.440 4.625 4.104 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2542 1 113 ILE HB 1 118 ALA MB 3.890 . 3.890 2.205 2.081 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2543 1 113 ILE MD 1 114 PRO HD2 4.960 . 4.960 4.895 4.768 4.961 0.001 36 0 "[ . 1 . 2 . 3 . 4]" 1 2544 1 113 ILE MD 1 117 VAL QG 4.610 . 4.610 4.174 3.679 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2545 1 113 ILE MD 1 118 ALA H 5.180 . 5.180 4.713 4.406 5.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2546 1 113 ILE MD 1 118 ALA HA 4.200 . 4.200 3.074 2.609 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2547 1 113 ILE MD 1 118 ALA MB 3.840 . 3.840 3.225 2.919 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2548 1 113 ILE MD 1 121 PHE QD 4.160 . 4.160 2.264 2.059 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2549 1 113 ILE MD 1 121 PHE QE 4.380 . 4.380 2.774 2.275 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2550 1 113 ILE HG12 1 113 ILE MG 3.480 . 3.480 2.269 2.228 2.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2551 1 113 ILE HG12 1 114 PRO HD2 5.060 . 5.060 4.169 4.070 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2552 1 113 ILE HG12 1 114 PRO HD3 5.050 . 5.050 4.620 4.362 5.064 0.014 2 0 "[ . 1 . 2 . 3 . 4]" 1 2553 1 113 ILE HG13 1 113 ILE MG 3.420 . 3.420 3.187 3.168 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2554 1 113 ILE HG13 1 114 PRO HD2 5.030 . 5.030 5.045 5.031 5.056 0.026 25 0 "[ . 1 . 2 . 3 . 4]" 1 2555 1 113 ILE MG 1 114 PRO HD2 3.580 . 3.580 2.100 2.068 2.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2556 1 113 ILE MG 1 114 PRO HD3 3.730 . 3.730 3.241 3.191 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2557 1 113 ILE MG 1 114 PRO HG2 4.790 . 4.790 3.926 3.173 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2558 1 113 ILE MG 1 114 PRO QG 4.190 . 4.190 3.695 3.085 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2559 1 113 ILE MG 1 114 PRO HG3 4.790 . 4.790 4.509 4.206 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2560 1 113 ILE MG 1 117 VAL H 4.310 . 4.310 3.388 3.275 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2561 1 113 ILE MG 1 117 VAL HB 4.280 . 4.280 2.165 2.039 4.281 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1 2562 1 113 ILE MG 1 117 VAL MG1 4.030 . 4.030 3.232 1.957 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2563 1 113 ILE MG 1 117 VAL QG 3.180 . 3.180 2.450 1.949 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2564 1 113 ILE MG 1 117 VAL MG2 4.030 . 4.030 2.580 2.275 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2565 1 113 ILE MG 1 118 ALA H 3.700 . 3.700 2.609 2.523 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2566 1 113 ILE MG 1 118 ALA HA 3.840 . 3.840 2.799 2.589 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2567 1 113 ILE MG 1 118 ALA MB 3.130 . 3.130 2.569 2.222 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2568 1 113 ILE MG 1 121 PHE H 5.500 . 5.500 5.101 4.900 5.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2569 1 113 ILE MG 1 121 PHE QD 4.620 . 4.620 2.644 2.259 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2570 1 113 ILE MG 1 121 PHE QE 4.940 . 4.940 2.521 2.280 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2571 1 114 PRO HA 1 115 LYS H 3.260 . 3.260 2.265 2.229 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2572 1 114 PRO HA 1 115 LYS QB 4.970 . 4.970 4.170 4.103 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2573 1 114 PRO HA 1 116 GLU H 4.590 . 4.590 4.311 4.184 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2574 1 114 PRO HA 1 117 VAL H 5.190 . 5.190 5.055 4.936 5.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2575 1 114 PRO HA 1 117 VAL QG 5.440 . 5.440 4.606 4.378 5.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2576 1 114 PRO HB2 1 115 LYS H 4.290 . 4.290 3.746 3.104 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2577 1 114 PRO HB2 1 116 GLU H 4.340 . 4.340 3.318 2.762 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2578 1 114 PRO HB2 1 117 VAL H 4.040 . 4.040 2.955 2.827 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2579 1 114 PRO HB2 1 117 VAL QG 3.970 . 3.970 2.353 2.108 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2580 1 114 PRO HB3 1 115 LYS H 4.280 . 4.280 3.369 3.218 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2581 1 114 PRO HB3 1 116 GLU H 4.400 . 4.400 3.805 3.671 4.411 0.011 2 0 "[ . 1 . 2 . 3 . 4]" 1 2582 1 114 PRO HB3 1 117 VAL H 5.080 . 5.080 4.542 4.418 5.100 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1 2583 1 114 PRO HB3 1 117 VAL QG 4.880 . 4.880 3.898 3.682 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2584 1 114 PRO HD2 1 117 VAL HB 4.930 . 4.930 3.962 3.719 4.938 0.008 24 0 "[ . 1 . 2 . 3 . 4]" 1 2585 1 114 PRO HD2 1 117 VAL QG 3.650 . 3.650 2.786 2.537 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2586 1 114 PRO HD3 1 117 VAL QG 4.280 . 4.280 4.184 3.952 4.303 0.023 8 0 "[ . 1 . 2 . 3 . 4]" 1 2587 1 114 PRO QG 1 117 VAL H 4.640 . 4.640 4.567 2.910 4.652 0.012 30 0 "[ . 1 . 2 . 3 . 4]" 1 2588 1 114 PRO QG 1 117 VAL QG 3.320 . 3.320 3.017 1.969 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2589 1 115 LYS H 1 115 LYS HB2 3.660 . 3.660 2.472 2.268 2.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2590 1 115 LYS H 1 115 LYS HB3 3.660 . 3.660 2.565 2.325 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2591 1 115 LYS H 1 115 LYS QG 4.250 . 4.250 4.009 3.874 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2592 1 115 LYS H 1 116 GLU H 3.880 . 3.880 2.933 2.779 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2593 1 115 LYS H 1 116 GLU QG 4.380 . 4.380 4.137 3.796 4.402 0.022 14 0 "[ . 1 . 2 . 3 . 4]" 1 2594 1 115 LYS HA 1 115 LYS HD2 4.980 . 4.980 3.476 2.261 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2595 1 115 LYS HA 1 115 LYS QD 4.280 . 4.280 3.091 2.222 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2596 1 115 LYS HA 1 115 LYS HD3 4.980 . 4.980 3.714 2.355 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2597 1 115 LYS HA 1 115 LYS QG 3.430 . 3.430 2.757 2.232 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2598 1 115 LYS HA 1 117 VAL H 4.720 . 4.720 4.436 4.206 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2599 1 115 LYS HA 1 118 ALA MB 3.220 . 3.220 2.203 2.026 2.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2600 1 115 LYS HA 1 119 ASP H 4.280 . 4.280 3.624 3.223 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2601 1 115 LYS QB 1 115 LYS QD 3.190 . 3.190 2.320 2.069 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2602 1 115 LYS QB 1 116 GLU H 3.420 . 3.420 2.660 2.506 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2603 1 115 LYS QB 1 119 ASP H 5.340 . 5.340 5.031 4.644 5.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2604 1 115 LYS HB2 1 116 GLU H 4.200 . 4.200 3.965 3.761 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2605 1 115 LYS HB3 1 116 GLU H 4.200 . 4.200 2.703 2.541 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2606 1 115 LYS QD 1 119 ASP H 5.340 . 5.340 4.205 3.263 5.389 0.049 27 0 "[ . 1 . 2 . 3 . 4]" 1 2607 1 115 LYS QE 1 115 LYS QG 3.100 . 3.100 2.195 2.049 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2608 1 115 LYS QG 1 116 GLU H 4.200 . 4.200 3.753 3.293 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2609 1 115 LYS QG 1 116 GLU HA 4.260 . 4.260 3.734 3.187 4.330 0.070 1 0 "[ . 1 . 2 . 3 . 4]" 1 2610 1 115 LYS QG 1 116 GLU QG 5.500 . 5.500 5.229 4.101 5.570 0.070 16 0 "[ . 1 . 2 . 3 . 4]" 1 2611 1 115 LYS QG 1 119 ASP QB 4.130 . 4.130 3.333 2.413 4.168 0.038 21 0 "[ . 1 . 2 . 3 . 4]" 1 2612 1 116 GLU H 1 116 GLU QB 3.210 . 3.210 2.508 2.363 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2613 1 116 GLU H 1 116 GLU QG 3.470 . 3.470 2.065 1.703 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2614 1 116 GLU H 1 117 VAL H 3.700 . 3.700 2.935 2.841 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2615 1 116 GLU H 1 117 VAL QG 4.690 . 4.690 3.916 3.709 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2616 1 116 GLU H 1 118 ALA H 4.580 . 4.580 4.066 3.962 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2617 1 116 GLU HA 1 116 GLU QG 3.350 . 3.350 3.347 2.730 3.422 0.072 37 0 "[ . 1 . 2 . 3 . 4]" 1 2618 1 116 GLU HA 1 117 VAL QG 5.440 . 5.440 4.494 4.404 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2619 1 116 GLU HA 1 119 ASP H 4.570 . 4.570 4.139 3.875 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2620 1 116 GLU HA 1 119 ASP QB 3.770 . 3.770 3.642 3.221 3.792 0.022 2 0 "[ . 1 . 2 . 3 . 4]" 1 2621 1 116 GLU QB 1 117 VAL H 4.000 . 4.000 3.344 2.445 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2622 1 116 GLU QB 1 117 VAL HA 5.160 . 5.160 4.336 3.780 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2623 1 116 GLU QB 1 117 VAL QG 3.990 . 3.990 3.487 2.493 4.227 0.237 24 0 "[ . 1 . 2 . 3 . 4]" 1 2624 1 116 GLU QG 1 117 VAL H 4.100 . 4.100 2.203 1.857 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2625 1 116 GLU QG 1 117 VAL QG 3.480 . 3.480 2.220 1.987 3.685 0.205 23 0 "[ . 1 . 2 . 3 . 4]" 1 2626 1 117 VAL H 1 117 VAL HB 3.490 . 3.490 3.076 2.510 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2627 1 117 VAL H 1 117 VAL MG1 4.290 . 4.290 3.679 2.057 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2628 1 117 VAL H 1 117 VAL QG 3.150 . 3.150 1.853 1.780 2.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2629 1 117 VAL H 1 117 VAL MG2 4.290 . 4.290 1.901 1.784 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2630 1 117 VAL H 1 118 ALA H 3.190 . 3.190 2.283 2.230 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2631 1 117 VAL H 1 118 ALA MB 4.020 . 4.020 3.984 3.930 4.025 0.005 29 0 "[ . 1 . 2 . 3 . 4]" 1 2632 1 117 VAL H 1 119 ASP H 4.350 . 4.350 4.083 3.922 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2633 1 117 VAL H 1 119 ASP QB 5.500 . 5.500 5.091 4.861 5.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2634 1 117 VAL HA 1 120 ILE H 4.390 . 4.390 3.514 3.360 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2635 1 117 VAL HA 1 120 ILE HB 4.480 . 4.480 3.450 3.242 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2636 1 117 VAL HA 1 120 ILE MD 3.320 . 3.320 2.174 2.069 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2637 1 117 VAL HA 1 120 ILE HG12 5.500 . 5.500 4.518 4.340 4.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2638 1 117 VAL HA 1 120 ILE HG13 4.770 . 4.770 3.121 2.908 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2639 1 117 VAL HA 1 120 ILE MG 5.500 . 5.500 4.616 4.493 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2640 1 117 VAL HB 1 118 ALA H 4.060 . 4.060 2.998 2.860 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2641 1 117 VAL HB 1 119 ASP H 5.500 . 5.500 5.163 5.032 5.522 0.022 24 0 "[ . 1 . 2 . 3 . 4]" 1 2642 1 117 VAL QG 1 118 ALA H 3.570 . 3.570 3.041 2.446 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2643 1 117 VAL QG 1 118 ALA HA 5.440 . 5.440 4.183 3.257 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2644 1 117 VAL QG 1 118 ALA MB 4.850 . 4.850 4.023 3.283 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2645 1 117 VAL QG 1 120 ILE HB 5.240 . 5.240 3.388 3.163 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2646 1 117 VAL QG 1 120 ILE HG13 5.440 . 5.440 4.137 3.938 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2647 1 117 VAL QG 1 121 PHE QD 5.340 . 5.340 3.695 3.322 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2648 1 117 VAL QG 1 121 PHE QE 3.970 . 3.970 2.608 2.416 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2649 1 117 VAL QG 1 121 PHE HZ 4.450 . 4.450 2.623 2.484 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2650 1 117 VAL MG1 1 118 ALA H 4.200 . 4.200 4.134 2.465 4.219 0.019 4 0 "[ . 1 . 2 . 3 . 4]" 1 2651 1 117 VAL MG1 1 121 PHE QE 4.690 . 4.690 2.645 2.446 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2652 1 117 VAL MG1 1 121 PHE HZ 5.100 . 5.100 2.665 2.493 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2653 1 117 VAL MG2 1 118 ALA H 4.200 . 4.200 3.168 2.973 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2654 1 117 VAL MG2 1 121 PHE QE 4.690 . 4.690 4.039 2.841 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2655 1 117 VAL MG2 1 121 PHE HZ 5.100 . 5.100 4.849 2.583 5.103 0.003 3 0 "[ . 1 . 2 . 3 . 4]" 1 2656 1 118 ALA H 1 118 ALA MB 2.870 . 2.870 2.220 2.199 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2657 1 118 ALA H 1 119 ASP H 3.530 . 3.530 2.709 2.508 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2658 1 118 ALA H 1 119 ASP QB 4.600 . 4.600 4.441 4.211 4.609 0.009 27 0 "[ . 1 . 2 . 3 . 4]" 1 2659 1 118 ALA HA 1 121 PHE H 4.200 . 4.200 3.378 3.205 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2660 1 118 ALA HA 1 121 PHE QD 4.460 . 4.460 2.472 2.181 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2661 1 118 ALA HA 1 122 ASN H 4.660 . 4.660 4.312 4.103 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2662 1 118 ALA MB 1 119 ASP H 3.160 . 3.160 2.601 2.496 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2663 1 118 ALA MB 1 119 ASP HA 3.840 . 3.840 3.809 3.741 3.854 0.014 30 0 "[ . 1 . 2 . 3 . 4]" 1 2664 1 118 ALA MB 1 119 ASP QB 4.340 . 4.340 3.930 3.745 4.349 0.009 9 0 "[ . 1 . 2 . 3 . 4]" 1 2665 1 118 ALA MB 1 121 PHE H 5.030 . 5.030 4.539 4.391 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2666 1 118 ALA MB 1 121 PHE QD 3.990 . 3.990 3.927 3.689 4.032 0.042 4 0 "[ . 1 . 2 . 3 . 4]" 1 2667 1 118 ALA MB 1 122 ASN H 4.710 . 4.710 4.603 4.434 4.745 0.035 18 0 "[ . 1 . 2 . 3 . 4]" 1 2668 1 118 ALA MB 1 122 ASN QB 4.490 . 4.490 4.253 3.928 4.496 0.006 26 0 "[ . 1 . 2 . 3 . 4]" 1 2669 1 118 ALA MB 1 122 ASN HD21 3.910 . 3.910 3.181 2.604 3.953 0.043 4 0 "[ . 1 . 2 . 3 . 4]" 1 2670 1 118 ALA MB 1 122 ASN HD22 3.910 . 3.910 3.113 2.605 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2671 1 119 ASP H 1 119 ASP QB 3.090 . 3.090 2.177 2.030 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2672 1 119 ASP H 1 120 ILE H 3.600 . 3.600 2.720 2.652 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2673 1 119 ASP H 1 121 PHE H 4.790 . 4.790 4.158 4.006 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2674 1 119 ASP H 1 122 ASN H 5.030 . 5.030 4.810 4.699 4.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2675 1 119 ASP HA 1 122 ASN H 4.110 . 4.110 3.417 3.163 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2676 1 119 ASP HA 1 123 ALA H 5.110 . 5.110 4.149 3.702 5.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2677 1 119 ASP QB 1 120 ILE H 3.920 . 3.920 2.537 2.367 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2678 1 120 ILE H 1 120 ILE HB 3.360 . 3.360 2.628 2.552 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2679 1 120 ILE H 1 120 ILE MD 3.610 . 3.610 3.364 3.288 3.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2680 1 120 ILE H 1 120 ILE HG12 3.720 . 3.720 3.296 3.202 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2681 1 120 ILE H 1 120 ILE HG13 3.540 . 3.540 1.897 1.809 2.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2682 1 120 ILE H 1 120 ILE MG 4.450 . 4.450 3.797 3.776 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2683 1 120 ILE H 1 122 ASN H 4.640 . 4.640 4.083 3.873 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2684 1 120 ILE HA 1 120 ILE HG12 3.970 . 3.970 2.740 2.668 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2685 1 120 ILE HA 1 120 ILE HG13 4.040 . 4.040 3.050 2.966 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2686 1 120 ILE HA 1 120 ILE MG 3.190 . 3.190 2.388 2.355 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2687 1 120 ILE HA 1 122 ASN H 4.980 . 4.980 4.311 4.139 4.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2688 1 120 ILE HA 1 123 ALA H 4.410 . 4.410 3.737 3.429 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2689 1 120 ILE HA 1 123 ALA MB 3.030 . 3.030 2.953 2.609 3.092 0.062 5 0 "[ . 1 . 2 . 3 . 4]" 1 2690 1 120 ILE HB 1 120 ILE MD 3.570 . 3.570 2.328 2.301 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2691 1 120 ILE HB 1 121 PHE H 3.510 . 3.510 2.598 2.420 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2692 1 120 ILE MD 1 121 PHE H 4.460 . 4.460 4.360 4.154 4.468 0.008 38 0 "[ . 1 . 2 . 3 . 4]" 1 2693 1 120 ILE MD 1 121 PHE QE 5.360 . 5.360 4.537 4.086 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2694 1 120 ILE HG12 1 120 ILE MG 3.420 . 3.420 2.339 2.314 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2695 1 120 ILE HG12 1 121 PHE H 5.500 . 5.500 4.965 4.838 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2696 1 120 ILE HG13 1 120 ILE MG 3.480 . 3.480 3.231 3.217 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2697 1 120 ILE HG13 1 121 PHE H 4.590 . 4.590 4.037 3.862 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2698 1 120 ILE MG 1 121 PHE H 3.650 . 3.650 3.644 3.560 3.680 0.030 4 0 "[ . 1 . 2 . 3 . 4]" 1 2699 1 120 ILE MG 1 121 PHE HA 4.360 . 4.360 3.613 3.469 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2700 1 120 ILE MG 1 121 PHE QD 4.290 . 4.290 3.435 3.080 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2701 1 120 ILE MG 1 122 ASN H 5.320 . 5.320 5.078 4.915 5.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2702 1 121 PHE H 1 121 PHE HB2 3.720 . 3.720 2.473 2.397 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2703 1 121 PHE H 1 121 PHE HB3 3.910 . 3.910 3.614 3.587 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2704 1 121 PHE H 1 121 PHE QE 4.880 . 4.880 4.658 4.564 4.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2705 1 121 PHE H 1 122 ASN H 3.380 . 3.380 2.613 2.493 2.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2706 1 121 PHE H 1 123 ALA H 4.590 . 4.590 4.099 3.963 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2707 1 121 PHE H 1 123 ALA MB 5.390 . 5.390 4.864 4.579 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2708 1 121 PHE HA 1 121 PHE QD 3.860 . 3.860 2.065 1.988 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2709 1 121 PHE HB3 1 122 ASN H 4.330 . 4.330 3.936 3.823 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2710 1 122 ASN H 1 122 ASN HB2 3.700 . 3.700 2.874 2.257 3.734 0.034 4 0 "[ . 1 . 2 . 3 . 4]" 1 2711 1 122 ASN H 1 122 ASN QB 3.110 . 3.110 2.484 2.233 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2712 1 122 ASN H 1 122 ASN HB3 3.700 . 3.700 3.326 2.640 3.701 0.001 15 0 "[ . 1 . 2 . 3 . 4]" 1 2713 1 122 ASN H 1 122 ASN HD21 4.890 . 4.890 4.248 3.642 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2714 1 122 ASN H 1 122 ASN QD 4.160 . 4.160 3.343 2.375 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2715 1 122 ASN H 1 122 ASN HD22 4.890 . 4.890 3.518 2.407 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2716 1 122 ASN H 1 123 ALA H 3.410 . 3.410 2.336 2.183 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2717 1 122 ASN H 1 123 ALA MB 5.020 . 5.020 4.000 3.828 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2718 1 122 ASN QB 1 122 ASN QD 3.080 . 3.080 2.122 2.069 2.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2719 1 122 ASN QB 1 123 ALA H 3.870 . 3.870 3.380 2.752 3.873 0.003 20 0 "[ . 1 . 2 . 3 . 4]" 1 2720 1 122 ASN HB2 1 123 ALA H 4.500 . 4.500 3.648 2.826 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2721 1 122 ASN HB3 1 123 ALA H 4.500 . 4.500 4.120 3.783 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2722 1 123 ALA H 1 123 ALA MB 2.910 . 2.910 2.217 2.190 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2723 1 123 ALA H 1 124 PRO QD 4.700 . 4.700 4.510 4.395 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2724 1 123 ALA HA 1 124 PRO HD2 3.560 . 3.560 2.488 2.393 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2725 1 123 ALA HA 1 124 PRO QD 3.090 . 3.090 2.180 2.053 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2726 1 123 ALA HA 1 124 PRO HD3 3.560 . 3.560 2.423 2.099 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2727 1 123 ALA MB 1 124 PRO HD2 3.590 . 3.590 2.480 2.222 2.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2728 1 123 ALA MB 1 124 PRO QD 2.970 . 2.970 2.436 2.199 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2729 1 123 ALA MB 1 124 PRO HD3 3.590 . 3.590 3.572 3.050 3.629 0.039 39 0 "[ . 1 . 2 . 3 . 4]" 1 2730 1 123 ALA MB 1 124 PRO QG 4.050 . 4.050 3.874 3.609 4.138 0.088 35 0 "[ . 1 . 2 . 3 . 4]" 1 2731 1 125 SER HA 1 126 ASP H 3.500 . 3.500 2.221 2.111 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2732 1 125 SER QB 1 126 ASP H 4.450 . 4.450 3.338 2.643 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2733 1 126 ASP HA 1 127 ASP H 3.120 . 3.120 2.575 2.261 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2734 1 126 ASP QB 1 127 ASP H 3.690 . 3.690 3.072 2.141 3.766 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 1 2735 1 126 ASP QB 1 128 GLU H 4.310 . 4.310 3.159 2.393 4.313 0.003 29 0 "[ . 1 . 2 . 3 . 4]" 1 2736 1 126 ASP HB2 1 127 ASP H 4.330 . 4.330 3.701 2.166 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2737 1 126 ASP HB2 1 128 GLU H 4.950 . 4.950 3.747 2.570 4.956 0.006 29 0 "[ . 1 . 2 . 3 . 4]" 1 2738 1 126 ASP HB3 1 127 ASP H 4.330 . 4.330 3.485 2.158 4.352 0.022 39 0 "[ . 1 . 2 . 3 . 4]" 1 2739 1 126 ASP HB3 1 128 GLU H 4.950 . 4.950 3.664 2.451 4.968 0.018 35 0 "[ . 1 . 2 . 3 . 4]" 1 2740 1 127 ASP H 1 127 ASP HB2 3.870 . 3.870 2.893 2.363 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2741 1 127 ASP H 1 127 ASP QB 3.330 . 3.330 2.678 2.282 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2742 1 127 ASP H 1 127 ASP HB3 3.870 . 3.870 3.290 2.661 3.929 0.059 7 0 "[ . 1 . 2 . 3 . 4]" 1 2743 1 127 ASP H 1 128 GLU H 3.410 . 3.410 2.586 2.077 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2744 1 127 ASP HA 1 128 GLU H 3.240 . 3.240 2.991 2.550 3.290 0.050 17 0 "[ . 1 . 2 . 3 . 4]" 1 2745 1 127 ASP QB 1 128 GLU H 4.220 . 4.220 3.705 3.103 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2746 1 128 GLU H 1 128 GLU HB2 3.020 . 3.020 2.506 2.285 3.052 0.032 15 0 "[ . 1 . 2 . 3 . 4]" 1 2747 1 128 GLU H 1 128 GLU HB3 4.020 . 4.020 3.605 3.485 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2748 1 128 GLU H 1 128 GLU QG 3.410 . 3.410 2.417 1.844 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2749 1 128 GLU H 1 129 GLU H 4.390 . 4.390 4.434 4.379 4.471 0.081 13 0 "[ . 1 . 2 . 3 . 4]" 1 2750 1 128 GLU HA 1 128 GLU QG 3.540 . 3.540 2.630 2.248 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2751 1 128 GLU HA 1 129 GLU H 2.970 . 2.970 2.438 2.215 3.044 0.074 24 0 "[ . 1 . 2 . 3 . 4]" 1 2752 1 128 GLU HB2 1 129 GLU H 3.370 . 3.370 3.262 2.431 3.398 0.028 3 0 "[ . 1 . 2 . 3 . 4]" 1 2753 1 128 GLU HB2 1 129 GLU HA 4.920 . 4.920 4.657 4.198 4.931 0.011 24 0 "[ . 1 . 2 . 3 . 4]" 1 2754 1 128 GLU HB3 1 129 GLU H 3.860 . 3.860 2.141 1.509 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2755 1 128 GLU HB3 1 129 GLU HA 4.760 . 4.760 4.505 4.186 4.798 0.038 34 0 "[ . 1 . 2 . 3 . 4]" 1 2756 1 128 GLU QG 1 129 GLU H 4.200 . 4.200 3.890 3.565 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2757 1 129 GLU H 1 129 GLU HB2 3.740 . 3.740 2.961 2.666 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2758 1 129 GLU H 1 129 GLU HB3 3.370 . 3.370 2.636 2.515 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2759 1 129 GLU H 1 129 GLU HG2 4.800 . 4.800 4.504 4.376 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2760 1 129 GLU H 1 129 GLU QG 4.230 . 4.230 4.051 3.996 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2761 1 129 GLU H 1 129 GLU HG3 4.800 . 4.800 4.594 4.486 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2762 1 129 GLU H 1 130 PHE H 4.740 . 4.740 4.431 4.185 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2763 1 129 GLU HA 1 129 GLU HG2 4.070 . 4.070 3.249 3.012 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2764 1 129 GLU HA 1 129 GLU HG3 4.070 . 4.070 2.378 2.287 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2765 1 129 GLU HA 1 130 PHE H 3.020 . 3.020 2.185 2.104 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2766 1 129 GLU HB2 1 130 PHE H 4.580 . 4.580 4.230 3.995 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2767 1 129 GLU HB3 1 130 PHE H 4.300 . 4.300 4.116 3.579 4.307 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1 2768 1 129 GLU HB3 1 131 VAL MG1 4.010 . 4.010 3.899 3.272 4.093 0.083 39 0 "[ . 1 . 2 . 3 . 4]" 1 2769 1 129 GLU HB3 1 131 VAL MG2 4.960 . 4.960 4.090 3.750 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2770 1 129 GLU QG 1 130 PHE H 3.660 . 3.660 2.598 2.078 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2771 1 129 GLU QG 1 131 VAL HA 5.010 . 5.010 4.469 4.159 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2772 1 129 GLU QG 1 131 VAL MG1 3.440 . 3.440 2.185 2.017 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2773 1 129 GLU QG 1 131 VAL MG2 4.450 . 4.450 3.399 2.958 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2774 1 129 GLU HG2 1 130 PHE H 4.230 . 4.230 3.182 2.291 4.232 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1 2775 1 129 GLU HG3 1 130 PHE H 4.230 . 4.230 2.781 2.379 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2776 1 130 PHE H 1 130 PHE HB2 3.680 . 3.680 2.955 2.684 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2777 1 130 PHE H 1 130 PHE HB3 3.690 . 3.690 2.429 2.335 2.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2778 1 130 PHE H 1 130 PHE QD 4.310 . 4.310 4.143 4.042 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2779 1 130 PHE H 1 131 VAL MG1 4.740 . 4.740 4.061 3.649 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2780 1 130 PHE HA 1 130 PHE QD 4.120 . 4.120 2.772 2.567 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2781 1 130 PHE HA 1 131 VAL H 3.190 . 3.190 2.138 2.095 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2782 1 130 PHE HA 1 131 VAL MG1 4.270 . 4.270 4.125 3.918 4.287 0.017 18 0 "[ . 1 . 2 . 3 . 4]" 1 2783 1 130 PHE HA 1 131 VAL MG2 3.810 . 3.810 3.399 3.292 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2784 1 130 PHE HB2 1 131 VAL H 4.350 . 4.350 4.275 4.188 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2785 1 130 PHE HB2 1 131 VAL MG2 5.500 . 5.500 5.461 5.378 5.525 0.025 10 0 "[ . 1 . 2 . 3 . 4]" 1 2786 1 130 PHE QD 1 131 VAL H 4.200 . 4.200 3.613 3.351 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2787 1 130 PHE QD 1 131 VAL MG2 4.640 . 4.640 4.829 4.709 4.936 0.296 32 0 "[ . 1 . 2 . 3 . 4]" 1 2788 1 130 PHE QD 1 132 GLY H 4.520 . 4.520 3.262 2.934 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2789 1 130 PHE QE 1 131 VAL HA 5.340 . 5.340 4.838 4.553 5.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2790 1 130 PHE QE 1 132 GLY H 4.660 . 4.660 3.069 2.748 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2791 1 130 PHE QE 1 132 GLY HA2 5.150 . 5.150 3.378 3.013 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2792 1 130 PHE QE 1 132 GLY HA3 5.500 . 5.500 4.696 4.483 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2793 1 130 PHE QE 1 133 PHE H 5.340 . 5.340 4.228 3.943 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2794 1 130 PHE QE 1 133 PHE QD 4.590 . 4.590 3.128 2.754 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2795 1 130 PHE QE 1 133 PHE QE 4.300 . 4.300 3.516 3.296 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2796 1 130 PHE HZ 1 133 PHE H 5.090 . 5.090 3.531 3.239 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2797 1 130 PHE HZ 1 133 PHE QD 4.330 . 4.330 3.056 2.802 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2798 1 130 PHE HZ 1 133 PHE QE 4.390 . 4.390 3.227 3.113 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2799 1 131 VAL H 1 131 VAL MG1 3.350 . 3.350 3.276 3.134 3.357 0.007 16 0 "[ . 1 . 2 . 3 . 4]" 1 2800 1 131 VAL H 1 131 VAL MG2 2.930 . 2.930 2.133 2.068 2.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2801 1 131 VAL HA 1 131 VAL MG1 2.950 . 2.950 2.212 2.189 2.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2802 1 131 VAL HA 1 131 VAL MG2 3.350 . 3.350 3.234 3.198 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2803 1 131 VAL HB 1 132 GLY H 4.520 . 4.520 4.177 4.115 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2804 1 131 VAL MG1 1 132 GLY H 4.110 . 4.110 4.150 4.104 4.192 0.082 39 0 "[ . 1 . 2 . 3 . 4]" 1 2805 1 131 VAL MG2 1 132 GLY H 4.320 . 4.320 4.300 4.239 4.337 0.017 37 0 "[ . 1 . 2 . 3 . 4]" 1 2806 1 131 VAL MG2 1 132 GLY HA2 5.500 . 5.500 5.494 5.420 5.533 0.033 18 0 "[ . 1 . 2 . 3 . 4]" 1 2807 1 132 GLY HA2 1 133 PHE QD 4.750 . 4.750 3.847 3.510 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2808 1 133 PHE H 1 133 PHE HB2 3.960 . 3.960 2.369 2.198 2.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2809 1 133 PHE H 1 133 PHE HB3 4.100 . 4.100 3.604 3.512 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2810 1 133 PHE H 1 133 PHE QD 3.740 . 3.740 2.674 2.462 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2811 1 133 PHE HA 1 133 PHE QD 3.710 . 3.710 2.767 2.595 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2812 1 133 PHE HA 1 133 PHE QE 4.880 . 4.880 4.569 4.397 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2813 1 133 PHE HB3 1 134 ARG H 4.560 . 4.560 3.316 2.216 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2814 1 133 PHE HB3 1 134 ARG HA 5.500 . 5.500 4.951 4.738 5.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2815 1 133 PHE QD 1 134 ARG H 4.630 . 4.630 4.166 3.807 4.697 0.067 11 0 "[ . 1 . 2 . 3 . 4]" 1 2816 1 134 ARG H 1 134 ARG QG 4.380 . 4.380 3.642 2.197 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2817 1 134 ARG H 1 135 ASP H 4.790 . 4.790 3.688 2.236 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2818 1 134 ARG HA 1 134 ARG HG2 3.910 . 3.910 2.893 2.412 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2819 1 134 ARG HA 1 134 ARG HG3 3.910 . 3.910 2.704 2.323 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2820 1 134 ARG QB 1 134 ARG QD 3.080 . 3.080 2.198 2.042 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2821 1 134 ARG QB 1 135 ASP H 3.570 . 3.570 2.322 1.746 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2822 1 134 ARG QB 1 136 ASP H 4.000 . 4.000 2.848 2.060 4.002 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1 2823 1 134 ARG HB2 1 134 ARG QD 3.530 . 3.530 2.494 2.227 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2824 1 134 ARG HB2 1 135 ASP H 4.120 . 4.120 3.435 1.810 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2825 1 134 ARG HB2 1 136 ASP H 4.690 . 4.690 4.043 2.117 4.710 0.020 32 0 "[ . 1 . 2 . 3 . 4]" 1 2826 1 134 ARG HB3 1 134 ARG QD 3.530 . 3.530 2.525 2.238 3.548 0.018 40 0 "[ . 1 . 2 . 3 . 4]" 1 2827 1 134 ARG HB3 1 135 ASP H 4.120 . 4.120 2.477 1.753 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2828 1 134 ARG HB3 1 136 ASP H 4.690 . 4.690 3.071 2.095 4.693 0.003 40 0 "[ . 1 . 2 . 3 . 4]" 1 2829 1 134 ARG HG2 1 135 ASP H 4.860 . 4.860 3.275 1.725 4.867 0.007 24 0 "[ . 1 . 2 . 3 . 4]" 1 2830 1 134 ARG HG3 1 135 ASP H 4.860 . 4.860 4.069 2.642 4.882 0.022 4 0 "[ . 1 . 2 . 3 . 4]" 1 2831 1 135 ASP H 1 135 ASP HB2 4.070 . 4.070 2.886 2.221 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2832 1 135 ASP H 1 135 ASP QB 3.390 . 3.390 2.651 2.171 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2833 1 135 ASP H 1 135 ASP HB3 4.070 . 4.070 3.279 2.618 4.098 0.028 19 0 "[ . 1 . 2 . 3 . 4]" 1 2834 1 135 ASP H 1 136 ASP H 4.600 . 4.600 2.379 1.687 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2835 1 135 ASP HA 1 136 ASP H 3.560 . 3.560 2.919 2.196 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2836 1 135 ASP QB 1 136 ASP H 4.250 . 4.250 3.709 2.971 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2837 1 136 ASP H 1 136 ASP HB2 4.180 . 4.180 3.144 2.038 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2838 1 136 ASP H 1 136 ASP QB 3.350 . 3.350 2.699 2.021 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 2839 1 136 ASP H 1 136 ASP HB3 4.180 . 4.180 3.198 2.418 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 stop_ save_
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