NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
524706 | 3ztg | 17772 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3ztg 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 4297 _Distance_constraint_stats_list.Viol_count 8238 _Distance_constraint_stats_list.Viol_total 16004.419 _Distance_constraint_stats_list.Viol_max 0.520 _Distance_constraint_stats_list.Viol_rms 0.0202 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0036 _Distance_constraint_stats_list.Viol_average_violations_only 0.0607 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 1 2 PRO 3.230 0.166 21 0 "[ . 1 . 2 . 3 ]" 1 3 LEU 4.470 0.266 3 0 "[ . 1 . 2 . 3 ]" 1 4 GLY 3.820 0.266 3 0 "[ . 1 . 2 . 3 ]" 1 5 SER 1.148 0.192 15 0 "[ . 1 . 2 . 3 ]" 1 6 GLU 1.150 0.192 15 0 "[ . 1 . 2 . 3 ]" 1 7 ASP 2.696 0.264 27 0 "[ . 1 . 2 . 3 ]" 1 8 ASP 5.954 0.394 13 0 "[ . 1 . 2 . 3 ]" 1 9 PRO 4.793 0.394 13 0 "[ . 1 . 2 . 3 ]" 1 10 ILE 5.290 0.203 2 0 "[ . 1 . 2 . 3 ]" 1 11 PRO 1.921 0.098 17 0 "[ . 1 . 2 . 3 ]" 1 12 ASP 5.538 0.268 19 0 "[ . 1 . 2 . 3 ]" 1 13 GLU 0.772 0.111 23 0 "[ . 1 . 2 . 3 ]" 1 14 LEU 8.181 0.230 16 0 "[ . 1 . 2 . 3 ]" 1 15 LEU 18.624 0.268 19 0 "[ . 1 . 2 . 3 ]" 1 16 CYS 0.776 0.077 16 0 "[ . 1 . 2 . 3 ]" 1 17 LEU 11.799 0.303 22 0 "[ . 1 . 2 . 3 ]" 1 18 ILE 6.011 0.180 22 0 "[ . 1 . 2 . 3 ]" 1 19 CYS 0.020 0.020 22 0 "[ . 1 . 2 . 3 ]" 1 20 LYS 1.555 0.115 2 0 "[ . 1 . 2 . 3 ]" 1 21 ASP 3.434 0.115 32 0 "[ . 1 . 2 . 3 ]" 1 22 ILE 7.525 0.248 20 0 "[ . 1 . 2 . 3 ]" 1 23 MET 4.664 0.159 20 0 "[ . 1 . 2 . 3 ]" 1 24 THR 1.566 0.093 25 0 "[ . 1 . 2 . 3 ]" 1 25 ASP 0.038 0.031 28 0 "[ . 1 . 2 . 3 ]" 1 26 ALA 3.143 0.156 9 0 "[ . 1 . 2 . 3 ]" 1 27 VAL 0.237 0.044 23 0 "[ . 1 . 2 . 3 ]" 1 28 VAL 2.824 0.114 18 0 "[ . 1 . 2 . 3 ]" 1 29 ILE 2.135 0.097 30 0 "[ . 1 . 2 . 3 ]" 1 30 PRO 5.341 0.084 16 0 "[ . 1 . 2 . 3 ]" 1 31 CYS 5.640 0.161 27 0 "[ . 1 . 2 . 3 ]" 1 32 CYS 3.271 0.092 28 0 "[ . 1 . 2 . 3 ]" 1 33 GLY 0.932 0.061 6 0 "[ . 1 . 2 . 3 ]" 1 34 ASN 2.287 0.083 7 0 "[ . 1 . 2 . 3 ]" 1 35 SER 3.986 0.108 4 0 "[ . 1 . 2 . 3 ]" 1 36 TYR 16.275 0.222 9 0 "[ . 1 . 2 . 3 ]" 1 37 CYS 7.789 0.180 22 0 "[ . 1 . 2 . 3 ]" 1 38 ASP 0.383 0.051 4 0 "[ . 1 . 2 . 3 ]" 1 39 GLU 3.843 0.103 13 0 "[ . 1 . 2 . 3 ]" 1 40 CYS 2.762 0.103 13 0 "[ . 1 . 2 . 3 ]" 1 41 ILE 2.812 0.090 4 0 "[ . 1 . 2 . 3 ]" 1 42 ARG 7.378 0.161 8 0 "[ . 1 . 2 . 3 ]" 1 43 THR 3.274 0.069 3 0 "[ . 1 . 2 . 3 ]" 1 44 ALA 7.000 0.159 18 0 "[ . 1 . 2 . 3 ]" 1 45 LEU 14.749 0.239 21 0 "[ . 1 . 2 . 3 ]" 1 46 LEU 4.942 0.185 2 0 "[ . 1 . 2 . 3 ]" 1 47 GLU 0.131 0.027 24 0 "[ . 1 . 2 . 3 ]" 1 48 SER 0.313 0.043 13 0 "[ . 1 . 2 . 3 ]" 1 49 ASP 1.216 0.099 13 0 "[ . 1 . 2 . 3 ]" 1 50 GLU 3.309 0.099 13 0 "[ . 1 . 2 . 3 ]" 1 51 HIS 9.588 0.135 20 0 "[ . 1 . 2 . 3 ]" 1 52 THR 2.610 0.125 15 0 "[ . 1 . 2 . 3 ]" 1 53 CYS 2.812 0.178 1 0 "[ . 1 . 2 . 3 ]" 1 54 PRO 17.348 0.279 22 0 "[ . 1 . 2 . 3 ]" 1 55 THR 23.232 0.303 22 0 "[ . 1 . 2 . 3 ]" 1 56 CYS 13.438 0.222 9 0 "[ . 1 . 2 . 3 ]" 1 57 HIS 3.434 0.125 15 0 "[ . 1 . 2 . 3 ]" 1 58 GLN 9.102 0.178 1 0 "[ . 1 . 2 . 3 ]" 1 59 ASN 2.566 0.102 10 0 "[ . 1 . 2 . 3 ]" 1 60 ASP 5.139 0.135 20 0 "[ . 1 . 2 . 3 ]" 1 61 VAL 4.837 0.161 27 0 "[ . 1 . 2 . 3 ]" 1 62 SER 9.221 0.239 21 0 "[ . 1 . 2 . 3 ]" 1 63 PRO 2.876 0.110 11 0 "[ . 1 . 2 . 3 ]" 1 64 ASP 0.217 0.080 8 0 "[ . 1 . 2 . 3 ]" 1 65 ALA 1.581 0.078 11 0 "[ . 1 . 2 . 3 ]" 1 66 LEU 1.425 0.062 32 0 "[ . 1 . 2 . 3 ]" 1 67 ILE 4.517 0.097 30 0 "[ . 1 . 2 . 3 ]" 1 68 ALA 2.346 0.085 10 0 "[ . 1 . 2 . 3 ]" 1 69 ASN 12.186 0.310 9 0 "[ . 1 . 2 . 3 ]" 1 70 LYS 12.028 0.310 9 0 "[ . 1 . 2 . 3 ]" 1 71 PHE 2.920 0.222 22 0 "[ . 1 . 2 . 3 ]" 1 72 LEU 2.392 0.156 9 0 "[ . 1 . 2 . 3 ]" 1 73 ARG 8.777 0.171 29 0 "[ . 1 . 2 . 3 ]" 1 74 GLN 5.236 0.198 5 0 "[ . 1 . 2 . 3 ]" 1 75 ALA 4.289 0.175 20 0 "[ . 1 . 2 . 3 ]" 1 76 VAL 9.088 0.165 10 0 "[ . 1 . 2 . 3 ]" 1 77 ASN 2.675 0.111 3 0 "[ . 1 . 2 . 3 ]" 1 78 ASN 5.307 0.339 14 0 "[ . 1 . 2 . 3 ]" 1 79 PHE 7.032 0.165 10 0 "[ . 1 . 2 . 3 ]" 1 80 LYS 7.652 0.317 10 0 "[ . 1 . 2 . 3 ]" 1 81 ASN 0.528 0.040 20 0 "[ . 1 . 2 . 3 ]" 1 82 GLU 1.217 0.075 26 0 "[ . 1 . 2 . 3 ]" 1 83 THR 1.464 0.075 26 0 "[ . 1 . 2 . 3 ]" 1 84 GLY 0.323 0.063 25 0 "[ . 1 . 2 . 3 ]" 1 85 TYR 20.678 0.448 22 0 "[ . 1 . 2 . 3 ]" 1 86 THR 19.321 0.448 22 0 "[ . 1 . 2 . 3 ]" 1 87 LYS 7.640 0.225 8 0 "[ . 1 . 2 . 3 ]" 1 88 ARG 1.986 0.133 18 0 "[ . 1 . 2 . 3 ]" 1 89 LEU 2.063 0.126 27 0 "[ . 1 . 2 . 3 ]" 1 90 ARG 6.536 0.520 8 1 "[ . + 1 . 2 . 3 ]" 1 91 LYS 3.350 0.520 8 1 "[ . + 1 . 2 . 3 ]" 1 92 GLN 2.744 0.271 15 0 "[ . 1 . 2 . 3 ]" 2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 2 2 PRO 2.602 0.137 20 0 "[ . 1 . 2 . 3 ]" 2 3 LEU 5.035 0.177 19 0 "[ . 1 . 2 . 3 ]" 2 4 GLY 4.884 0.177 19 0 "[ . 1 . 2 . 3 ]" 2 5 SER 1.165 0.201 29 0 "[ . 1 . 2 . 3 ]" 2 6 GLU 1.192 0.174 29 0 "[ . 1 . 2 . 3 ]" 2 7 ASP 2.862 0.201 29 0 "[ . 1 . 2 . 3 ]" 2 8 ASP 3.326 0.199 1 0 "[ . 1 . 2 . 3 ]" 2 9 PRO 2.643 0.199 1 0 "[ . 1 . 2 . 3 ]" 2 10 ILE 4.929 0.144 16 0 "[ . 1 . 2 . 3 ]" 2 11 PRO 3.643 0.114 24 0 "[ . 1 . 2 . 3 ]" 2 12 ASP 5.115 0.271 4 0 "[ . 1 . 2 . 3 ]" 2 13 GLU 0.596 0.094 26 0 "[ . 1 . 2 . 3 ]" 2 14 LEU 9.766 0.236 17 0 "[ . 1 . 2 . 3 ]" 2 15 LEU 18.891 0.271 4 0 "[ . 1 . 2 . 3 ]" 2 16 CYS 0.941 0.287 25 0 "[ . 1 . 2 . 3 ]" 2 17 LEU 11.958 0.287 25 0 "[ . 1 . 2 . 3 ]" 2 18 ILE 6.065 0.188 10 0 "[ . 1 . 2 . 3 ]" 2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 2 20 LYS 1.187 0.085 14 0 "[ . 1 . 2 . 3 ]" 2 21 ASP 2.817 0.107 31 0 "[ . 1 . 2 . 3 ]" 2 22 ILE 6.314 0.243 8 0 "[ . 1 . 2 . 3 ]" 2 23 MET 4.102 0.149 31 0 "[ . 1 . 2 . 3 ]" 2 24 THR 1.226 0.106 10 0 "[ . 1 . 2 . 3 ]" 2 25 ASP 0.236 0.059 28 0 "[ . 1 . 2 . 3 ]" 2 26 ALA 3.502 0.219 15 0 "[ . 1 . 2 . 3 ]" 2 27 VAL 0.352 0.044 30 0 "[ . 1 . 2 . 3 ]" 2 28 VAL 2.471 0.112 20 0 "[ . 1 . 2 . 3 ]" 2 29 ILE 2.370 0.094 15 0 "[ . 1 . 2 . 3 ]" 2 30 PRO 4.890 0.094 1 0 "[ . 1 . 2 . 3 ]" 2 31 CYS 5.300 0.120 21 0 "[ . 1 . 2 . 3 ]" 2 32 CYS 3.358 0.132 24 0 "[ . 1 . 2 . 3 ]" 2 33 GLY 1.021 0.069 17 0 "[ . 1 . 2 . 3 ]" 2 34 ASN 1.498 0.092 25 0 "[ . 1 . 2 . 3 ]" 2 35 SER 3.453 0.138 7 0 "[ . 1 . 2 . 3 ]" 2 36 TYR 16.004 0.265 22 0 "[ . 1 . 2 . 3 ]" 2 37 CYS 8.300 0.188 10 0 "[ . 1 . 2 . 3 ]" 2 38 ASP 0.526 0.062 8 0 "[ . 1 . 2 . 3 ]" 2 39 GLU 3.697 0.096 32 0 "[ . 1 . 2 . 3 ]" 2 40 CYS 2.776 0.096 32 0 "[ . 1 . 2 . 3 ]" 2 41 ILE 2.703 0.104 6 0 "[ . 1 . 2 . 3 ]" 2 42 ARG 7.745 0.156 8 0 "[ . 1 . 2 . 3 ]" 2 43 THR 3.864 0.078 6 0 "[ . 1 . 2 . 3 ]" 2 44 ALA 7.705 0.197 6 0 "[ . 1 . 2 . 3 ]" 2 45 LEU 14.674 0.252 21 0 "[ . 1 . 2 . 3 ]" 2 46 LEU 4.955 0.175 22 0 "[ . 1 . 2 . 3 ]" 2 47 GLU 0.199 0.043 14 0 "[ . 1 . 2 . 3 ]" 2 48 SER 0.265 0.058 20 0 "[ . 1 . 2 . 3 ]" 2 49 ASP 1.236 0.105 10 0 "[ . 1 . 2 . 3 ]" 2 50 GLU 3.180 0.105 10 0 "[ . 1 . 2 . 3 ]" 2 51 HIS 9.647 0.136 16 0 "[ . 1 . 2 . 3 ]" 2 52 THR 2.938 0.086 17 0 "[ . 1 . 2 . 3 ]" 2 53 CYS 2.498 0.186 22 0 "[ . 1 . 2 . 3 ]" 2 54 PRO 17.389 0.283 10 0 "[ . 1 . 2 . 3 ]" 2 55 THR 23.110 0.283 10 0 "[ . 1 . 2 . 3 ]" 2 56 CYS 13.018 0.237 20 0 "[ . 1 . 2 . 3 ]" 2 57 HIS 3.263 0.086 17 0 "[ . 1 . 2 . 3 ]" 2 58 GLN 8.949 0.186 22 0 "[ . 1 . 2 . 3 ]" 2 59 ASN 2.218 0.102 25 0 "[ . 1 . 2 . 3 ]" 2 60 ASP 4.821 0.136 16 0 "[ . 1 . 2 . 3 ]" 2 61 VAL 5.511 0.120 21 0 "[ . 1 . 2 . 3 ]" 2 62 SER 8.629 0.252 21 0 "[ . 1 . 2 . 3 ]" 2 63 PRO 2.678 0.112 26 0 "[ . 1 . 2 . 3 ]" 2 64 ASP 0.085 0.068 23 0 "[ . 1 . 2 . 3 ]" 2 65 ALA 1.418 0.094 1 0 "[ . 1 . 2 . 3 ]" 2 66 LEU 1.696 0.142 6 0 "[ . 1 . 2 . 3 ]" 2 67 ILE 4.707 0.094 15 0 "[ . 1 . 2 . 3 ]" 2 68 ALA 6.684 0.310 26 0 "[ . 1 . 2 . 3 ]" 2 69 ASN 8.442 0.163 29 0 "[ . 1 . 2 . 3 ]" 2 70 LYS 16.540 0.399 26 0 "[ . 1 . 2 . 3 ]" 2 71 PHE 2.478 0.133 10 0 "[ . 1 . 2 . 3 ]" 2 72 LEU 2.294 0.129 9 0 "[ . 1 . 2 . 3 ]" 2 73 ARG 9.520 0.219 15 0 "[ . 1 . 2 . 3 ]" 2 74 GLN 6.029 0.202 29 0 "[ . 1 . 2 . 3 ]" 2 75 ALA 7.907 0.140 31 0 "[ . 1 . 2 . 3 ]" 2 76 VAL 8.591 0.143 1 0 "[ . 1 . 2 . 3 ]" 2 77 ASN 4.618 0.147 7 0 "[ . 1 . 2 . 3 ]" 2 78 ASN 4.469 0.260 13 0 "[ . 1 . 2 . 3 ]" 2 79 PHE 6.757 0.143 1 0 "[ . 1 . 2 . 3 ]" 2 80 LYS 8.683 0.329 31 0 "[ . 1 . 2 . 3 ]" 2 81 ASN 0.532 0.054 29 0 "[ . 1 . 2 . 3 ]" 2 82 GLU 1.433 0.084 3 0 "[ . 1 . 2 . 3 ]" 2 83 THR 1.168 0.076 28 0 "[ . 1 . 2 . 3 ]" 2 84 GLY 0.395 0.054 29 0 "[ . 1 . 2 . 3 ]" 2 85 TYR 17.595 0.437 4 0 "[ . 1 . 2 . 3 ]" 2 86 THR 19.663 0.437 4 0 "[ . 1 . 2 . 3 ]" 2 87 LYS 7.538 0.217 31 0 "[ . 1 . 2 . 3 ]" 2 88 ARG 3.426 0.162 26 0 "[ . 1 . 2 . 3 ]" 2 89 LEU 2.193 0.162 26 0 "[ . 1 . 2 . 3 ]" 2 90 ARG 3.318 0.155 16 0 "[ . 1 . 2 . 3 ]" 2 91 LYS 1.858 0.110 20 0 "[ . 1 . 2 . 3 ]" 2 92 GLN 2.445 0.155 16 0 "[ . 1 . 2 . 3 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 GLY QA 1 2 PRO HA 4.330 . 4.330 4.055 4.019 4.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 2 1 1 GLY QA 1 2 PRO HD2 3.110 . 3.110 2.279 2.035 2.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 3 1 1 GLY QA 1 2 PRO QD 2.560 . 2.560 2.021 1.905 2.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 4 1 1 GLY QA 1 2 PRO HD3 3.110 . 3.110 2.309 1.978 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 5 1 1 GLY QA 1 2 PRO HG2 4.820 . 4.820 4.184 4.081 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 6 1 1 GLY QA 1 2 PRO HG3 4.820 . 4.820 4.230 3.806 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 7 1 2 PRO HA 1 3 LEU H 2.700 . 2.700 2.416 2.128 2.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 8 1 2 PRO HB2 1 3 LEU H 3.720 . 3.720 2.540 1.872 3.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 9 1 2 PRO HB2 1 4 GLY H 5.500 . 5.500 4.898 2.599 5.666 0.166 21 0 "[ . 1 . 2 . 3 ]" 1 10 1 2 PRO HB3 1 3 LEU H 3.720 . 3.720 3.439 2.973 3.804 0.084 19 0 "[ . 1 . 2 . 3 ]" 1 11 1 2 PRO HD2 1 3 LEU H 5.500 . 5.500 5.378 4.785 5.584 0.084 30 0 "[ . 1 . 2 . 3 ]" 1 12 1 2 PRO HD3 1 3 LEU H 5.500 . 5.500 5.536 5.394 5.648 0.148 4 0 "[ . 1 . 2 . 3 ]" 1 13 1 2 PRO QG 1 3 LEU H 4.680 . 4.680 4.087 3.578 4.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 14 1 3 LEU H 1 3 LEU HB2 3.510 . 3.510 2.436 2.138 3.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 15 1 3 LEU H 1 3 LEU HB3 3.800 . 3.800 3.337 2.699 3.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 16 1 3 LEU H 1 3 LEU MD1 4.540 . 4.540 4.137 3.516 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 17 1 3 LEU H 1 3 LEU MD2 4.540 . 4.540 3.264 2.378 4.216 . 0 0 "[ . 1 . 2 . 3 ]" 1 18 1 3 LEU H 1 4 GLY HA2 5.500 . 5.500 5.409 4.750 5.766 0.266 3 0 "[ . 1 . 2 . 3 ]" 1 19 1 3 LEU H 1 4 GLY HA3 5.490 . 5.490 4.973 4.540 5.510 0.020 9 0 "[ . 1 . 2 . 3 ]" 1 20 1 3 LEU HA 1 3 LEU MD1 3.430 . 3.430 2.143 1.832 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 21 1 3 LEU HA 1 3 LEU MD2 3.430 . 3.430 2.378 1.888 3.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 22 1 3 LEU HA 1 3 LEU HG 4.140 . 4.140 3.641 3.564 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 23 1 3 LEU HA 1 4 GLY H 2.740 . 2.740 2.305 2.104 2.788 0.048 6 0 "[ . 1 . 2 . 3 ]" 1 24 1 3 LEU HA 1 5 SER H 4.260 . 4.260 3.476 3.099 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 25 1 3 LEU HB2 1 3 LEU MD2 3.110 . 3.110 2.340 2.233 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1 26 1 3 LEU HB3 1 3 LEU MD1 3.170 . 3.170 2.393 2.227 2.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 27 1 3 LEU HB3 1 4 GLY H 5.140 . 5.140 3.503 1.800 4.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 28 1 3 LEU HB3 1 4 GLY HA2 5.500 . 5.500 4.281 3.680 4.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 29 1 3 LEU HB3 1 4 GLY HA3 5.500 . 5.500 4.831 4.122 5.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 30 1 3 LEU HB3 1 5 SER H 5.500 . 5.500 4.651 3.606 5.550 0.050 13 0 "[ . 1 . 2 . 3 ]" 1 31 1 3 LEU MD1 1 4 GLY H 4.640 . 4.640 2.950 2.009 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 32 1 3 LEU MD1 1 4 GLY HA2 5.180 . 5.180 4.274 2.643 5.221 0.041 32 0 "[ . 1 . 2 . 3 ]" 1 33 1 3 LEU MD1 1 4 GLY HA3 5.380 . 5.380 4.849 3.232 5.505 0.125 15 0 "[ . 1 . 2 . 3 ]" 1 34 1 3 LEU MD1 1 5 SER H 5.000 . 5.000 3.450 2.199 4.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 35 1 3 LEU MD2 1 4 GLY H 5.070 . 5.070 4.043 1.972 4.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 36 1 4 GLY H 1 5 SER H 3.320 . 3.320 2.179 1.810 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 37 1 4 GLY H 1 5 SER HA 4.770 . 4.770 4.514 3.977 4.809 0.039 4 0 "[ . 1 . 2 . 3 ]" 1 38 1 4 GLY H 1 5 SER QB 5.200 . 5.200 4.138 3.380 4.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 39 1 4 GLY H 1 6 GLU H 4.690 . 4.690 4.242 3.408 4.736 0.046 20 0 "[ . 1 . 2 . 3 ]" 1 40 1 4 GLY HA2 1 5 SER H 3.530 . 3.530 3.066 2.690 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 41 1 4 GLY HA2 1 6 GLU H 5.130 . 5.130 4.320 3.327 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 42 1 4 GLY HA3 1 6 GLU H 5.500 . 5.500 5.287 4.445 5.569 0.069 29 0 "[ . 1 . 2 . 3 ]" 1 43 1 5 SER H 1 5 SER HB2 3.720 . 3.720 2.835 2.137 3.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 44 1 5 SER H 1 5 SER QB 3.130 . 3.130 2.559 2.107 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 45 1 5 SER H 1 5 SER HB3 3.720 . 3.720 3.132 2.277 3.722 0.002 3 0 "[ . 1 . 2 . 3 ]" 1 46 1 5 SER H 1 6 GLU H 3.810 . 3.810 2.562 2.015 2.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 47 1 5 SER H 1 6 GLU QG 5.350 . 5.350 4.424 3.366 5.377 0.027 5 0 "[ . 1 . 2 . 3 ]" 1 48 1 5 SER HA 1 6 GLU H 3.560 . 3.560 3.539 3.406 3.577 0.017 21 0 "[ . 1 . 2 . 3 ]" 1 49 1 5 SER HA 1 6 GLU QG 5.300 . 5.300 4.688 3.909 5.385 0.085 17 0 "[ . 1 . 2 . 3 ]" 1 50 1 5 SER HA 1 7 ASP H 4.890 . 4.890 4.390 3.563 5.045 0.155 3 0 "[ . 1 . 2 . 3 ]" 1 51 1 5 SER QB 1 6 GLU H 3.100 . 3.100 2.459 1.947 3.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 52 1 5 SER QB 1 6 GLU QG 4.010 . 4.010 2.881 2.131 4.202 0.192 15 0 "[ . 1 . 2 . 3 ]" 1 53 1 6 GLU H 1 6 GLU HB2 3.790 . 3.790 2.911 2.465 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 54 1 6 GLU H 1 6 GLU HB3 3.950 . 3.950 3.579 2.806 3.890 . 0 0 "[ . 1 . 2 . 3 ]" 1 55 1 6 GLU H 1 6 GLU QG 3.360 . 3.360 2.530 1.719 3.378 0.018 13 0 "[ . 1 . 2 . 3 ]" 1 56 1 6 GLU H 1 7 ASP H 3.380 . 3.380 2.095 1.530 2.731 . 0 0 "[ . 1 . 2 . 3 ]" 1 57 1 6 GLU H 1 7 ASP QB 4.950 . 4.950 4.045 3.519 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1 58 1 6 GLU HA 1 6 GLU QG 3.440 . 3.440 2.900 2.171 3.448 0.008 15 0 "[ . 1 . 2 . 3 ]" 1 59 1 6 GLU HB2 1 6 GLU QG 2.690 . 2.690 2.248 2.126 2.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 60 1 6 GLU HB2 1 7 ASP H 4.540 . 4.540 3.582 2.544 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1 61 1 6 GLU HB3 1 6 GLU QG 2.690 . 2.690 2.353 2.140 2.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 62 1 6 GLU HB3 1 7 ASP H 4.540 . 4.540 4.242 3.658 4.564 0.024 31 0 "[ . 1 . 2 . 3 ]" 1 63 1 6 GLU QG 1 7 ASP H 4.800 . 4.800 3.893 1.931 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 64 1 7 ASP H 1 7 ASP HB2 3.640 . 3.640 2.944 2.190 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 65 1 7 ASP H 1 7 ASP QB 2.790 . 2.790 2.614 2.167 2.844 0.054 13 0 "[ . 1 . 2 . 3 ]" 1 66 1 7 ASP H 1 7 ASP HB3 3.640 . 3.640 3.183 2.720 3.680 0.040 14 0 "[ . 1 . 2 . 3 ]" 1 67 1 7 ASP H 1 8 ASP HA 5.500 . 5.500 5.043 4.547 5.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 68 1 7 ASP HA 1 8 ASP H 2.720 . 2.720 2.375 2.095 2.943 0.223 10 0 "[ . 1 . 2 . 3 ]" 1 69 1 7 ASP QB 1 8 ASP H 3.540 . 3.540 2.973 1.562 3.804 0.264 27 0 "[ . 1 . 2 . 3 ]" 1 70 1 7 ASP QB 1 8 ASP HA 4.500 . 4.500 4.265 3.993 4.585 0.085 3 0 "[ . 1 . 2 . 3 ]" 1 71 1 8 ASP H 1 8 ASP HB2 4.180 . 4.180 3.530 2.455 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1 72 1 8 ASP H 1 8 ASP QB 3.530 . 3.530 2.993 2.360 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1 73 1 8 ASP H 1 8 ASP HB3 4.180 . 4.180 3.316 2.556 3.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 74 1 8 ASP H 1 9 PRO HA 5.150 . 5.150 4.699 4.374 5.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 75 1 8 ASP H 1 9 PRO HD2 4.850 . 4.850 4.770 4.353 5.001 0.151 10 0 "[ . 1 . 2 . 3 ]" 1 76 1 8 ASP H 1 9 PRO HD3 5.210 . 5.210 3.844 3.203 5.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 77 1 8 ASP H 1 9 PRO QG 5.260 . 5.260 5.245 4.439 5.654 0.394 13 0 "[ . 1 . 2 . 3 ]" 1 78 1 8 ASP HA 1 9 PRO HB3 5.470 . 5.470 5.085 4.800 5.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 79 1 8 ASP HA 1 9 PRO HD2 2.890 . 2.890 2.340 1.899 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1 80 1 8 ASP HA 1 9 PRO HD3 3.010 . 3.010 2.173 1.859 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1 81 1 8 ASP HA 1 9 PRO QG 4.080 . 4.080 3.867 3.740 4.103 0.023 26 0 "[ . 1 . 2 . 3 ]" 1 82 1 8 ASP QB 1 9 PRO HA 5.150 . 5.150 4.814 4.492 5.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 83 1 8 ASP QB 1 9 PRO HD2 4.230 . 4.230 3.689 2.104 4.277 0.047 20 0 "[ . 1 . 2 . 3 ]" 1 84 1 8 ASP QB 1 9 PRO HD3 5.120 . 5.120 4.013 3.241 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1 85 1 8 ASP QB 1 9 PRO QG 5.340 . 5.340 4.987 3.118 5.369 0.029 20 0 "[ . 1 . 2 . 3 ]" 1 86 1 8 ASP QB 1 83 THR HB 5.340 . 5.340 3.607 1.963 5.377 0.037 22 0 "[ . 1 . 2 . 3 ]" 1 87 1 8 ASP QB 1 83 THR MG 4.840 . 4.840 3.324 2.193 4.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 88 1 8 ASP HB2 1 9 PRO HD2 4.980 . 4.980 4.105 2.701 5.114 0.134 22 0 "[ . 1 . 2 . 3 ]" 1 89 1 8 ASP HB2 1 83 THR MG 5.500 . 5.500 3.799 2.257 5.569 0.069 2 0 "[ . 1 . 2 . 3 ]" 1 90 1 8 ASP HB3 1 9 PRO HD2 4.980 . 4.980 4.335 2.120 4.916 . 0 0 "[ . 1 . 2 . 3 ]" 1 91 1 8 ASP HB3 1 83 THR MG 5.500 . 5.500 3.903 2.292 5.571 0.071 24 0 "[ . 1 . 2 . 3 ]" 1 92 1 9 PRO HA 1 10 ILE H 2.780 . 2.780 2.383 2.189 2.796 0.016 22 0 "[ . 1 . 2 . 3 ]" 1 93 1 9 PRO HA 1 10 ILE HA 4.850 . 4.850 4.354 4.295 4.456 . 0 0 "[ . 1 . 2 . 3 ]" 1 94 1 9 PRO HA 1 10 ILE HB 5.500 . 5.500 5.156 4.900 5.460 . 0 0 "[ . 1 . 2 . 3 ]" 1 95 1 9 PRO HA 1 10 ILE MD 5.020 . 5.020 4.221 3.546 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 96 1 9 PRO HB2 1 10 ILE H 3.410 . 3.410 2.786 1.778 3.353 . 0 0 "[ . 1 . 2 . 3 ]" 1 97 1 9 PRO HB2 1 10 ILE HA 5.080 . 5.080 4.527 4.313 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 98 1 9 PRO QG 1 10 ILE H 4.420 . 4.420 4.281 3.277 4.623 0.203 2 0 "[ . 1 . 2 . 3 ]" 1 99 1 10 ILE H 1 10 ILE HB 3.160 . 3.160 2.864 2.745 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 100 1 10 ILE H 1 10 ILE MD 4.170 . 4.170 3.454 2.736 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 101 1 10 ILE H 1 11 PRO HD2 4.900 . 4.900 4.881 4.804 4.947 0.047 17 0 "[ . 1 . 2 . 3 ]" 1 102 1 10 ILE H 1 11 PRO HD3 5.500 . 5.500 4.587 4.393 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1 103 1 10 ILE H 1 15 LEU MD1 5.410 . 5.410 3.887 3.279 5.437 0.027 22 0 "[ . 1 . 2 . 3 ]" 1 104 1 10 ILE H 1 15 LEU QD 5.320 . 5.320 3.632 3.217 4.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 105 1 10 ILE H 1 15 LEU MD2 5.410 . 5.410 4.826 3.696 5.520 0.110 17 0 "[ . 1 . 2 . 3 ]" 1 106 1 10 ILE H 1 79 PHE QE 5.500 . 5.500 5.256 4.639 5.591 0.091 18 0 "[ . 1 . 2 . 3 ]" 1 107 1 10 ILE H 1 79 PHE HZ 5.320 . 5.320 4.525 3.743 4.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 108 1 10 ILE HA 1 10 ILE MD 4.150 . 4.150 2.992 2.493 3.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 109 1 10 ILE HA 1 11 PRO HB3 5.160 . 5.160 4.874 4.761 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1 110 1 10 ILE HA 1 11 PRO HD2 3.470 . 3.470 2.118 2.017 2.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 111 1 10 ILE HA 1 11 PRO HD3 3.470 . 3.470 2.244 2.080 2.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 112 1 10 ILE HA 1 14 LEU MD1 5.500 . 5.500 3.519 3.188 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 113 1 10 ILE HA 1 14 LEU QD 4.590 . 4.590 3.463 3.148 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 114 1 10 ILE HA 1 14 LEU MD2 5.500 . 5.500 5.200 4.755 5.571 0.071 22 0 "[ . 1 . 2 . 3 ]" 1 115 1 10 ILE HA 1 79 PHE QD 4.930 . 4.930 4.829 4.468 4.984 0.054 16 0 "[ . 1 . 2 . 3 ]" 1 116 1 10 ILE HA 1 79 PHE QE 3.820 . 3.820 3.366 3.000 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 117 1 10 ILE HA 1 79 PHE HZ 3.900 . 3.900 2.771 2.594 3.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 118 1 10 ILE HB 1 10 ILE MD 3.400 . 3.400 3.042 2.621 3.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 119 1 10 ILE HB 1 11 PRO HD2 4.810 . 4.810 4.092 3.973 4.246 . 0 0 "[ . 1 . 2 . 3 ]" 1 120 1 10 ILE HB 1 11 PRO HD3 5.110 . 5.110 4.826 4.706 4.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 121 1 10 ILE HB 1 14 LEU QD 5.420 . 5.420 4.236 4.023 4.420 . 0 0 "[ . 1 . 2 . 3 ]" 1 122 1 10 ILE HB 1 15 LEU H 5.500 . 5.500 5.392 5.127 5.643 0.143 8 0 "[ . 1 . 2 . 3 ]" 1 123 1 10 ILE HB 1 15 LEU MD1 4.060 . 4.060 2.117 1.737 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 124 1 10 ILE HB 1 15 LEU QD 3.370 . 3.370 1.935 1.733 2.587 . 0 0 "[ . 1 . 2 . 3 ]" 1 125 1 10 ILE HB 1 15 LEU MD2 4.060 . 4.060 3.247 1.754 3.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 126 1 10 ILE HB 1 21 ASP HA 5.430 . 5.430 3.913 3.567 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1 127 1 10 ILE HB 1 22 ILE H 5.210 . 5.210 4.240 3.811 4.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 128 1 10 ILE HB 1 79 PHE QE 5.500 . 5.500 5.287 4.928 5.528 0.028 31 0 "[ . 1 . 2 . 3 ]" 1 129 1 10 ILE MD 1 11 PRO HD2 4.900 . 4.900 4.120 3.752 4.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 130 1 10 ILE MD 1 11 PRO HD3 5.500 . 5.500 4.734 4.046 5.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 131 1 10 ILE MD 1 14 LEU QD 4.690 . 4.690 3.579 3.230 3.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 132 1 10 ILE MD 1 15 LEU HA 5.500 . 5.500 4.708 4.186 5.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 133 1 10 ILE MD 1 21 ASP HA 4.910 . 4.910 3.752 2.886 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 134 1 10 ILE MD 1 21 ASP HB2 5.500 . 5.500 5.287 4.558 5.615 0.115 32 0 "[ . 1 . 2 . 3 ]" 1 135 1 10 ILE MD 1 21 ASP HB3 5.500 . 5.500 5.148 4.350 5.593 0.093 22 0 "[ . 1 . 2 . 3 ]" 1 136 1 10 ILE MD 1 22 ILE H 3.930 . 3.930 2.618 1.782 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 137 1 10 ILE MD 1 22 ILE HA 4.350 . 4.350 3.852 3.351 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1 138 1 10 ILE MD 1 22 ILE HB 3.260 . 3.260 1.901 1.735 2.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 139 1 10 ILE MD 1 22 ILE MD 3.210 . 3.210 2.659 2.341 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 140 1 10 ILE MD 1 23 MET H 5.500 . 5.500 5.356 5.008 5.567 0.067 19 0 "[ . 1 . 2 . 3 ]" 1 141 1 10 ILE MD 1 79 PHE QB 5.500 . 5.500 5.407 5.117 5.553 0.053 4 0 "[ . 1 . 2 . 3 ]" 1 142 1 10 ILE MD 1 79 PHE QD 4.880 . 4.880 4.033 3.778 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 143 1 10 ILE MD 1 79 PHE QE 3.620 . 3.620 2.339 2.113 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 144 1 10 ILE MD 1 79 PHE HZ 3.840 . 3.840 2.748 2.246 3.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 145 1 10 ILE MD 1 80 LYS QE 5.340 . 5.340 4.552 3.396 4.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 146 1 10 ILE MD 1 80 LYS HG2 5.500 . 5.500 4.910 4.657 5.584 0.084 20 0 "[ . 1 . 2 . 3 ]" 1 147 1 10 ILE MD 1 85 TYR HB2 5.410 . 5.410 3.990 3.351 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 148 1 10 ILE MD 1 85 TYR QD 3.720 . 3.720 2.809 2.413 3.523 . 0 0 "[ . 1 . 2 . 3 ]" 1 149 1 10 ILE MD 1 85 TYR QE 3.760 . 3.760 2.460 2.060 3.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 150 1 11 PRO HA 1 12 ASP H 2.650 . 2.650 2.239 2.180 2.296 . 0 0 "[ . 1 . 2 . 3 ]" 1 151 1 11 PRO HA 1 12 ASP QB 4.140 . 4.140 4.101 4.027 4.156 0.016 15 0 "[ . 1 . 2 . 3 ]" 1 152 1 11 PRO HA 1 13 GLU H 4.500 . 4.500 3.904 3.726 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 153 1 11 PRO HB2 1 12 ASP H 3.600 . 3.600 3.051 2.904 3.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 154 1 11 PRO HB2 1 12 ASP HA 5.500 . 5.500 4.851 4.734 4.980 . 0 0 "[ . 1 . 2 . 3 ]" 1 155 1 11 PRO HB2 1 12 ASP QB 5.500 . 5.500 4.647 4.290 4.938 . 0 0 "[ . 1 . 2 . 3 ]" 1 156 1 11 PRO HB2 1 13 GLU H 4.990 . 4.990 2.375 2.169 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 157 1 11 PRO HB2 1 13 GLU HA 5.500 . 5.500 4.963 4.719 5.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 158 1 11 PRO HB2 1 14 LEU H 4.530 . 4.530 3.967 3.788 4.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 159 1 11 PRO HB2 1 14 LEU QD 4.190 . 4.190 3.798 3.539 4.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 160 1 11 PRO HB2 1 14 LEU HG 5.500 . 5.500 3.754 3.410 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 161 1 11 PRO HB2 1 15 LEU H 5.500 . 5.500 5.231 5.120 5.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 162 1 11 PRO HB3 1 12 ASP H 4.010 . 4.010 3.695 3.604 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 163 1 11 PRO HB3 1 12 ASP QB 5.500 . 5.500 5.436 5.223 5.598 0.098 17 0 "[ . 1 . 2 . 3 ]" 1 164 1 11 PRO HB3 1 13 GLU H 4.990 . 4.990 4.045 3.851 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 165 1 11 PRO HB3 1 14 LEU H 5.500 . 5.500 5.475 5.328 5.570 0.070 30 0 "[ . 1 . 2 . 3 ]" 1 166 1 11 PRO HB3 1 14 LEU QD 4.720 . 4.720 4.347 4.141 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 167 1 11 PRO HB3 1 79 PHE QE 5.500 . 5.500 5.345 4.822 5.542 0.042 1 0 "[ . 1 . 2 . 3 ]" 1 168 1 11 PRO HD2 1 14 LEU MD1 4.880 . 4.880 2.138 1.869 2.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 169 1 11 PRO HD2 1 14 LEU QD 3.850 . 3.850 2.115 1.865 2.536 . 0 0 "[ . 1 . 2 . 3 ]" 1 170 1 11 PRO HD2 1 14 LEU MD2 4.880 . 4.880 3.435 3.035 3.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 171 1 11 PRO HD2 1 14 LEU HG 4.750 . 4.750 3.140 2.538 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 172 1 11 PRO HD2 1 15 LEU QD 5.320 . 5.320 4.694 4.550 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 173 1 11 PRO HD2 1 22 ILE MD 5.120 . 5.120 4.294 3.398 4.757 . 0 0 "[ . 1 . 2 . 3 ]" 1 174 1 11 PRO HD2 1 79 PHE QD 4.390 . 4.390 4.026 3.737 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 175 1 11 PRO HD2 1 79 PHE QE 4.170 . 4.170 3.390 2.876 3.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 176 1 11 PRO HD2 1 79 PHE HZ 5.230 . 5.230 3.776 3.399 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 177 1 11 PRO HD3 1 14 LEU QD 3.960 . 3.960 3.372 2.994 3.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 178 1 11 PRO HD3 1 15 LEU QD 5.440 . 5.440 5.263 5.021 5.508 0.068 20 0 "[ . 1 . 2 . 3 ]" 1 179 1 11 PRO HD3 1 79 PHE QD 4.390 . 4.390 4.134 3.710 4.406 0.016 16 0 "[ . 1 . 2 . 3 ]" 1 180 1 11 PRO HD3 1 79 PHE QE 4.020 . 4.020 2.801 2.525 3.047 . 0 0 "[ . 1 . 2 . 3 ]" 1 181 1 11 PRO HD3 1 79 PHE HZ 4.500 . 4.500 3.677 3.178 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 182 1 11 PRO HG2 1 12 ASP H 5.030 . 5.030 4.745 4.629 4.890 . 0 0 "[ . 1 . 2 . 3 ]" 1 183 1 11 PRO HG2 1 14 LEU H 4.140 . 4.140 3.618 3.342 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1 184 1 11 PRO HG2 1 14 LEU MD1 4.790 . 4.790 2.729 2.100 3.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 185 1 11 PRO HG2 1 14 LEU QD 3.770 . 3.770 2.238 2.027 2.491 . 0 0 "[ . 1 . 2 . 3 ]" 1 186 1 11 PRO HG2 1 14 LEU MD2 4.790 . 4.790 2.420 2.211 2.727 . 0 0 "[ . 1 . 2 . 3 ]" 1 187 1 11 PRO HG2 1 14 LEU HG 4.640 . 4.640 2.071 1.950 2.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 188 1 11 PRO HG2 1 15 LEU H 4.980 . 4.980 4.861 4.744 4.983 0.003 31 0 "[ . 1 . 2 . 3 ]" 1 189 1 11 PRO HG2 1 79 PHE QD 5.130 . 5.130 4.532 4.276 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 190 1 11 PRO HG2 1 79 PHE QE 5.010 . 5.010 4.681 4.342 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1 191 1 11 PRO HG3 1 12 ASP H 5.500 . 5.500 5.383 5.299 5.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 192 1 11 PRO HG3 1 14 LEU H 5.500 . 5.500 5.329 5.074 5.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 193 1 11 PRO HG3 1 14 LEU MD1 5.060 . 5.060 3.598 2.968 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 194 1 11 PRO HG3 1 14 LEU QD 3.730 . 3.730 2.909 2.731 3.254 . 0 0 "[ . 1 . 2 . 3 ]" 1 195 1 11 PRO HG3 1 14 LEU MD2 5.060 . 5.060 3.102 2.843 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 196 1 11 PRO HG3 1 14 LEU HG 5.500 . 5.500 3.763 3.587 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 197 1 11 PRO HG3 1 79 PHE QD 4.100 . 4.100 3.911 3.373 4.136 0.036 28 0 "[ . 1 . 2 . 3 ]" 1 198 1 11 PRO HG3 1 79 PHE QE 4.580 . 4.580 3.808 3.476 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 199 1 12 ASP H 1 12 ASP QB 2.800 . 2.800 2.156 2.066 2.246 . 0 0 "[ . 1 . 2 . 3 ]" 1 200 1 12 ASP H 1 13 GLU H 3.920 . 3.920 2.731 2.615 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 201 1 12 ASP H 1 14 LEU H 4.750 . 4.750 4.394 4.282 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 202 1 12 ASP H 1 15 LEU H 5.260 . 5.260 4.839 4.731 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 203 1 12 ASP H 1 15 LEU HB2 5.500 . 5.500 4.875 3.739 5.518 0.018 6 0 "[ . 1 . 2 . 3 ]" 1 204 1 12 ASP H 1 15 LEU QD 4.540 . 4.540 3.795 3.509 4.624 0.084 20 0 "[ . 1 . 2 . 3 ]" 1 205 1 12 ASP HA 1 14 LEU H 4.180 . 4.180 3.401 3.259 3.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 206 1 12 ASP HA 1 15 LEU H 3.960 . 3.960 2.902 2.682 3.054 . 0 0 "[ . 1 . 2 . 3 ]" 1 207 1 12 ASP HA 1 15 LEU HB2 5.280 . 5.280 3.547 2.054 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1 208 1 12 ASP HA 1 15 LEU HB3 4.480 . 4.480 2.199 1.860 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 209 1 12 ASP HA 1 15 LEU MD1 4.410 . 4.410 4.179 2.937 4.678 0.268 19 0 "[ . 1 . 2 . 3 ]" 1 210 1 12 ASP HA 1 15 LEU QD 3.250 . 3.250 2.562 2.257 3.175 . 0 0 "[ . 1 . 2 . 3 ]" 1 211 1 12 ASP HA 1 15 LEU MD2 4.410 . 4.410 2.876 2.263 4.570 0.160 22 0 "[ . 1 . 2 . 3 ]" 1 212 1 12 ASP HA 1 15 LEU HG 4.750 . 4.750 4.211 3.545 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 213 1 12 ASP QB 1 13 GLU H 3.760 . 3.760 3.427 2.812 3.842 0.082 12 0 "[ . 1 . 2 . 3 ]" 1 214 1 12 ASP QB 1 14 LEU H 5.070 . 5.070 4.713 4.599 4.794 . 0 0 "[ . 1 . 2 . 3 ]" 1 215 1 12 ASP QB 1 15 LEU H 5.500 . 5.500 4.637 4.374 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 216 1 12 ASP QB 1 15 LEU HB3 5.500 . 5.500 3.988 3.452 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1 217 1 12 ASP QB 1 15 LEU QD 3.990 . 3.990 3.231 2.956 4.035 0.045 22 0 "[ . 1 . 2 . 3 ]" 1 218 1 12 ASP QB 1 15 LEU HG 5.500 . 5.500 5.404 4.508 5.708 0.208 27 0 "[ . 1 . 2 . 3 ]" 1 219 1 12 ASP QB 2 71 PHE QE 5.500 . 5.500 4.886 4.442 5.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 220 1 13 GLU H 1 13 GLU HG2 5.000 . 5.000 2.207 1.683 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 221 1 13 GLU H 1 13 GLU HG3 5.000 . 5.000 3.392 2.239 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 222 1 13 GLU H 1 14 LEU H 4.140 . 4.140 2.645 2.448 2.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 223 1 13 GLU HA 2 71 PHE QD 4.370 . 4.370 3.312 3.109 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 224 1 13 GLU HB2 2 75 ALA H 4.590 . 4.590 3.214 2.480 4.654 0.064 23 0 "[ . 1 . 2 . 3 ]" 1 225 1 13 GLU HB2 2 75 ALA MB 4.780 . 4.780 2.277 1.893 3.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 226 1 13 GLU HB3 2 75 ALA H 5.500 . 5.500 2.907 2.319 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 227 1 13 GLU HB3 2 75 ALA MB 5.370 . 5.370 2.961 1.933 4.100 . 0 0 "[ . 1 . 2 . 3 ]" 1 228 1 13 GLU HG2 1 14 LEU H 5.500 . 5.500 3.284 2.672 5.611 0.111 23 0 "[ . 1 . 2 . 3 ]" 1 229 1 13 GLU HG2 2 75 ALA MB 5.340 . 5.340 4.028 2.339 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 230 1 13 GLU HG3 1 14 LEU H 5.360 . 5.360 4.201 3.450 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 231 1 13 GLU HG3 2 75 ALA MB 4.260 . 4.260 3.024 2.393 4.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 232 1 14 LEU H 1 14 LEU HB2 4.150 . 4.150 3.932 3.742 3.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 233 1 14 LEU H 1 14 LEU HB3 4.090 . 4.090 3.618 3.543 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 234 1 14 LEU H 1 14 LEU MD1 4.340 . 4.340 3.601 3.185 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 235 1 14 LEU H 1 14 LEU QD 3.820 . 3.820 3.267 3.057 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 236 1 14 LEU H 1 14 LEU MD2 4.340 . 4.340 3.768 3.446 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 237 1 14 LEU H 1 14 LEU HG 4.210 . 4.210 2.424 2.145 2.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 238 1 14 LEU H 1 15 LEU H 3.430 . 3.430 1.676 1.584 1.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 239 1 14 LEU H 1 15 LEU HB2 5.500 . 5.500 3.868 3.124 4.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 240 1 14 LEU H 1 15 LEU HB3 5.500 . 5.500 3.479 3.239 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 241 1 14 LEU H 1 15 LEU MD1 5.500 . 5.500 5.341 4.822 5.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 242 1 14 LEU H 1 15 LEU QD 5.440 . 5.440 4.462 4.298 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 243 1 14 LEU H 1 15 LEU MD2 5.500 . 5.500 4.835 4.497 5.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 244 1 14 LEU H 1 15 LEU HG 5.500 . 5.500 5.570 4.868 5.730 0.230 16 0 "[ . 1 . 2 . 3 ]" 1 245 1 14 LEU H 1 72 LEU QD 5.440 . 5.440 3.915 3.798 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 246 1 14 LEU HA 1 14 LEU MD1 4.280 . 4.280 3.835 3.734 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 247 1 14 LEU HA 1 14 LEU QD 3.470 . 3.470 3.441 3.409 3.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 248 1 14 LEU HA 1 14 LEU MD2 4.280 . 4.280 3.898 3.728 3.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 249 1 14 LEU HA 1 23 MET ME 4.250 . 4.250 2.843 2.456 3.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 250 1 14 LEU HA 1 72 LEU MD1 5.500 . 5.500 1.999 1.743 3.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 251 1 14 LEU HA 1 72 LEU QD 3.300 . 3.300 1.806 1.691 1.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 252 1 14 LEU HA 1 72 LEU MD2 4.220 . 4.220 2.672 1.695 3.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 253 1 14 LEU HA 1 72 LEU HG 5.420 . 5.420 4.121 3.875 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 254 1 14 LEU HA 1 75 ALA MB 4.330 . 4.330 4.251 4.090 4.392 0.062 10 0 "[ . 1 . 2 . 3 ]" 1 255 1 14 LEU HA 2 71 PHE QD 5.250 . 5.250 2.361 2.145 3.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 256 1 14 LEU HB2 1 14 LEU QD 3.130 . 3.130 2.071 2.048 2.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 257 1 14 LEU HB2 1 15 LEU H 5.110 . 5.110 4.317 4.181 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 258 1 14 LEU HB2 1 22 ILE MD 5.050 . 5.050 3.475 2.527 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 259 1 14 LEU HB2 1 23 MET ME 5.310 . 5.310 4.095 3.756 4.382 . 0 0 "[ . 1 . 2 . 3 ]" 1 260 1 14 LEU HB2 1 76 VAL HA 5.130 . 5.130 3.241 3.023 3.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 261 1 14 LEU HB3 1 22 ILE MD 5.050 . 5.050 4.792 3.842 5.055 0.005 3 0 "[ . 1 . 2 . 3 ]" 1 262 1 14 LEU HB3 1 76 VAL HA 5.500 . 5.500 4.151 3.582 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 263 1 14 LEU QD 1 15 LEU H 4.220 . 4.220 3.728 3.354 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 264 1 14 LEU QD 1 15 LEU HA 4.330 . 4.330 3.581 3.283 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 265 1 14 LEU QD 1 15 LEU HB2 5.440 . 5.440 3.682 3.344 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 266 1 14 LEU QD 1 15 LEU QD 5.140 . 5.140 4.178 3.667 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 267 1 14 LEU QD 1 22 ILE HA 4.570 . 4.570 3.853 3.704 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 268 1 14 LEU QD 1 22 ILE MD 3.140 . 3.140 2.079 1.669 2.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 269 1 14 LEU QD 1 23 MET H 5.180 . 5.180 4.441 4.270 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 270 1 14 LEU QD 1 23 MET ME 4.700 . 4.700 4.394 4.178 4.508 . 0 0 "[ . 1 . 2 . 3 ]" 1 271 1 14 LEU QD 1 72 LEU QD 4.180 . 4.180 3.464 3.365 3.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 272 1 14 LEU QD 1 75 ALA HA 5.440 . 5.440 3.827 3.650 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 273 1 14 LEU QD 1 75 ALA MB 3.760 . 3.760 2.199 1.999 2.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 274 1 14 LEU QD 1 76 VAL H 4.440 . 4.440 3.625 3.198 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 275 1 14 LEU QD 1 76 VAL HA 3.310 . 3.310 2.418 2.204 2.581 . 0 0 "[ . 1 . 2 . 3 ]" 1 276 1 14 LEU QD 1 76 VAL HB 4.530 . 4.530 4.483 4.286 4.577 0.047 24 0 "[ . 1 . 2 . 3 ]" 1 277 1 14 LEU QD 1 78 ASN QB 5.440 . 5.440 4.868 4.332 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1 278 1 14 LEU QD 1 79 PHE H 4.630 . 4.630 3.806 3.597 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 279 1 14 LEU QD 1 79 PHE HA 5.280 . 5.280 4.222 4.036 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 280 1 14 LEU QD 1 79 PHE QB 3.420 . 3.420 2.281 2.144 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 281 1 14 LEU QD 1 79 PHE QD 3.290 . 3.290 2.719 2.586 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 282 1 14 LEU QD 1 79 PHE QE 4.300 . 4.300 3.318 3.163 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 283 1 14 LEU QD 1 79 PHE HZ 5.210 . 5.210 4.028 3.788 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 284 1 14 LEU QD 1 80 LYS H 4.800 . 4.800 4.364 4.136 4.508 . 0 0 "[ . 1 . 2 . 3 ]" 1 285 1 14 LEU QD 1 80 LYS HG2 5.440 . 5.440 4.912 4.306 5.185 . 0 0 "[ . 1 . 2 . 3 ]" 1 286 1 14 LEU MD1 1 15 LEU H 4.870 . 4.870 3.874 3.410 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1 287 1 14 LEU MD1 1 22 ILE MD 4.020 . 4.020 2.088 1.673 2.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 288 1 14 LEU MD1 1 75 ALA MB 3.860 . 3.860 3.907 3.720 4.035 0.175 20 0 "[ . 1 . 2 . 3 ]" 1 289 1 14 LEU MD1 1 76 VAL H 5.500 . 5.500 4.422 4.265 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1 290 1 14 LEU MD1 1 76 VAL HA 3.870 . 3.870 2.528 2.238 2.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 291 1 14 LEU MD1 1 79 PHE H 5.500 . 5.500 4.602 4.296 4.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 292 1 14 LEU MD1 1 79 PHE QB 4.330 . 4.330 2.636 2.397 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 293 1 14 LEU MD1 1 79 PHE QD 4.170 . 4.170 2.904 2.691 3.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 294 1 14 LEU MD1 1 80 LYS H 5.460 . 5.460 4.658 4.404 5.043 . 0 0 "[ . 1 . 2 . 3 ]" 1 295 1 14 LEU MD2 1 15 LEU H 4.870 . 4.870 4.890 4.775 4.970 0.100 10 0 "[ . 1 . 2 . 3 ]" 1 296 1 14 LEU MD2 1 22 ILE MD 4.020 . 4.020 3.847 3.334 4.011 . 0 0 "[ . 1 . 2 . 3 ]" 1 297 1 14 LEU MD2 1 75 ALA MB 3.860 . 3.860 2.212 2.004 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1 298 1 14 LEU MD2 1 76 VAL H 5.500 . 5.500 3.869 3.259 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 299 1 14 LEU MD2 1 76 VAL HA 3.870 . 3.870 3.176 2.491 3.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 300 1 14 LEU MD2 1 79 PHE H 5.500 . 5.500 4.066 3.806 4.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 301 1 14 LEU MD2 1 79 PHE QB 4.330 . 4.330 2.510 2.307 2.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 302 1 14 LEU MD2 1 79 PHE QD 4.170 . 4.170 3.301 3.058 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 303 1 14 LEU MD2 1 80 LYS H 5.460 . 5.460 5.288 5.019 5.482 0.022 29 0 "[ . 1 . 2 . 3 ]" 1 304 1 14 LEU HG 1 15 LEU H 4.610 . 4.610 3.590 3.507 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 305 1 14 LEU HG 1 76 VAL HA 5.500 . 5.500 5.186 4.958 5.394 . 0 0 "[ . 1 . 2 . 3 ]" 1 306 1 14 LEU HG 1 79 PHE QD 5.500 . 5.500 5.067 4.881 5.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 307 1 15 LEU H 1 15 LEU HB2 3.780 . 3.780 2.963 2.133 3.245 . 0 0 "[ . 1 . 2 . 3 ]" 1 308 1 15 LEU H 1 15 LEU HB3 3.780 . 3.780 2.370 2.201 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 309 1 15 LEU H 1 15 LEU MD1 4.610 . 4.610 4.415 4.057 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 1 310 1 15 LEU H 1 15 LEU QD 3.620 . 3.620 3.619 3.430 3.760 0.140 27 0 "[ . 1 . 2 . 3 ]" 1 311 1 15 LEU H 1 15 LEU MD2 4.610 . 4.610 3.877 3.546 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 312 1 15 LEU H 1 15 LEU HG 4.300 . 4.300 4.201 3.994 4.534 0.234 22 0 "[ . 1 . 2 . 3 ]" 1 313 1 15 LEU H 1 16 CYS H 4.650 . 4.650 4.479 4.406 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1 314 1 15 LEU H 1 23 MET ME 4.570 . 4.570 3.546 3.419 3.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 315 1 15 LEU H 2 71 PHE QE 4.500 . 4.500 3.198 2.841 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1 316 1 15 LEU HA 1 15 LEU QD 3.480 . 3.480 2.651 1.882 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 317 1 15 LEU HA 1 16 CYS H 3.270 . 3.270 2.206 2.168 2.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 318 1 15 LEU HA 1 16 CYS HB2 5.210 . 5.210 4.658 4.566 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 319 1 15 LEU HA 1 16 CYS HB3 4.770 . 4.770 4.645 4.537 4.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 320 1 15 LEU HA 1 21 ASP H 5.330 . 5.330 5.024 4.818 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1 321 1 15 LEU HA 1 21 ASP HA 5.360 . 5.360 4.755 4.536 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 322 1 15 LEU HA 1 22 ILE HB 5.440 . 5.440 4.296 4.051 4.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 323 1 15 LEU HA 1 22 ILE MD 5.130 . 5.130 4.704 3.839 5.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 324 1 15 LEU HA 1 23 MET H 5.100 . 5.100 4.064 3.726 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 325 1 15 LEU HA 1 23 MET ME 4.950 . 4.950 3.122 2.901 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 326 1 15 LEU HA 1 23 MET HG2 5.500 . 5.500 5.241 3.775 5.552 0.052 22 0 "[ . 1 . 2 . 3 ]" 1 327 1 15 LEU HA 1 23 MET HG3 5.000 . 5.000 3.981 3.669 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 328 1 15 LEU HB2 1 16 CYS H 4.540 . 4.540 4.080 3.834 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 329 1 15 LEU HB3 1 15 LEU QD 2.900 . 2.900 2.102 2.066 2.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 330 1 15 LEU HB3 1 16 CYS H 4.460 . 4.460 4.249 3.785 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 331 1 15 LEU QD 1 16 CYS H 3.620 . 3.620 2.874 2.054 3.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 332 1 15 LEU QD 1 16 CYS HB2 5.290 . 5.290 4.822 4.231 5.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 333 1 15 LEU QD 1 16 CYS HB3 4.750 . 4.750 4.071 3.455 4.481 . 0 0 "[ . 1 . 2 . 3 ]" 1 334 1 15 LEU QD 1 17 LEU H 5.130 . 5.130 4.246 3.762 4.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 335 1 15 LEU QD 1 20 LYS H 5.440 . 5.440 4.020 3.588 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1 336 1 15 LEU QD 1 20 LYS HA 3.970 . 3.970 2.569 2.274 2.882 . 0 0 "[ . 1 . 2 . 3 ]" 1 337 1 15 LEU QD 1 20 LYS HB2 5.380 . 5.380 4.333 4.167 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 338 1 15 LEU QD 1 20 LYS HB3 4.020 . 4.020 3.475 3.250 3.771 . 0 0 "[ . 1 . 2 . 3 ]" 1 339 1 15 LEU QD 1 20 LYS QE 5.440 . 5.440 4.371 3.445 4.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 340 1 15 LEU QD 1 21 ASP H 3.860 . 3.860 2.899 2.571 3.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 341 1 15 LEU QD 1 21 ASP HA 3.280 . 3.280 2.184 1.917 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 342 1 15 LEU QD 1 21 ASP QB 4.470 . 4.470 3.721 3.617 3.939 . 0 0 "[ . 1 . 2 . 3 ]" 1 343 1 15 LEU QD 1 22 ILE H 4.460 . 4.460 3.179 2.928 4.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 344 1 15 LEU QD 1 22 ILE HA 5.440 . 5.440 3.378 2.933 3.873 . 0 0 "[ . 1 . 2 . 3 ]" 1 345 1 15 LEU QD 1 23 MET HG3 5.360 . 5.360 4.914 4.457 5.366 0.006 10 0 "[ . 1 . 2 . 3 ]" 1 346 1 15 LEU MD1 1 16 CYS H 5.040 . 5.040 3.433 2.211 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 347 1 15 LEU MD1 1 20 LYS HA 5.460 . 5.460 3.039 2.425 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 348 1 15 LEU MD1 1 20 LYS HB3 4.740 . 4.740 3.832 3.535 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 349 1 15 LEU MD1 1 21 ASP H 5.320 . 5.320 3.360 2.679 5.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 350 1 15 LEU MD1 1 21 ASP HA 4.380 . 4.380 2.582 1.919 4.386 0.006 15 0 "[ . 1 . 2 . 3 ]" 1 351 1 15 LEU MD1 1 22 ILE H 5.500 . 5.500 3.632 2.939 5.687 0.187 10 0 "[ . 1 . 2 . 3 ]" 1 352 1 15 LEU MD2 1 16 CYS H 5.040 . 5.040 3.778 2.056 4.671 . 0 0 "[ . 1 . 2 . 3 ]" 1 353 1 15 LEU MD2 1 20 LYS HA 5.460 . 5.460 2.985 2.287 3.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 354 1 15 LEU MD2 1 20 LYS HB3 4.740 . 4.740 4.096 3.498 4.675 . 0 0 "[ . 1 . 2 . 3 ]" 1 355 1 15 LEU MD2 1 21 ASP H 5.320 . 5.320 4.075 2.580 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 356 1 15 LEU MD2 1 21 ASP HA 4.380 . 4.380 3.989 2.223 4.489 0.109 13 0 "[ . 1 . 2 . 3 ]" 1 357 1 15 LEU MD2 1 22 ILE H 5.500 . 5.500 5.218 3.244 5.743 0.243 32 0 "[ . 1 . 2 . 3 ]" 1 358 1 15 LEU HG 1 16 CYS H 5.180 . 5.180 3.083 2.398 4.898 . 0 0 "[ . 1 . 2 . 3 ]" 1 359 1 15 LEU HG 1 20 LYS HA 5.500 . 5.500 3.890 3.264 5.555 0.055 8 0 "[ . 1 . 2 . 3 ]" 1 360 1 16 CYS H 1 16 CYS HB2 3.720 . 3.720 2.709 2.644 2.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 361 1 16 CYS H 1 16 CYS HB3 3.600 . 3.600 2.453 2.387 2.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 362 1 16 CYS H 1 17 LEU QD 5.440 . 5.440 4.748 4.482 5.482 0.042 22 0 "[ . 1 . 2 . 3 ]" 1 363 1 16 CYS H 1 21 ASP H 4.170 . 4.170 3.453 3.348 3.609 . 0 0 "[ . 1 . 2 . 3 ]" 1 364 1 16 CYS H 1 21 ASP HA 4.700 . 4.700 4.413 4.303 4.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 365 1 16 CYS H 1 22 ILE HA 4.240 . 4.240 2.841 2.692 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 366 1 16 CYS H 1 23 MET H 5.110 . 5.110 4.109 3.904 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 367 1 16 CYS H 1 23 MET ME 3.820 . 3.820 2.817 2.576 3.308 . 0 0 "[ . 1 . 2 . 3 ]" 1 368 1 16 CYS H 1 23 MET HG2 4.700 . 4.700 3.872 2.636 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 369 1 16 CYS H 1 23 MET HG3 4.310 . 4.310 2.776 2.528 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 370 1 16 CYS H 2 71 PHE QE 5.500 . 5.500 4.733 4.334 5.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 371 1 16 CYS HA 1 17 LEU QD 4.120 . 4.120 3.484 3.222 4.129 0.009 10 0 "[ . 1 . 2 . 3 ]" 1 372 1 16 CYS HA 1 17 LEU HG 5.500 . 5.500 3.562 3.435 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1 373 1 16 CYS HA 1 18 ILE H 4.430 . 4.430 3.782 3.655 3.939 . 0 0 "[ . 1 . 2 . 3 ]" 1 374 1 16 CYS HA 1 19 CYS H 5.420 . 5.420 4.862 4.756 4.939 . 0 0 "[ . 1 . 2 . 3 ]" 1 375 1 16 CYS HA 1 23 MET ME 3.670 . 3.670 2.623 2.306 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 376 1 16 CYS HA 1 23 MET HG2 4.730 . 4.730 3.729 3.278 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 377 1 16 CYS HA 1 23 MET HG3 5.340 . 5.340 3.864 3.623 4.829 . 0 0 "[ . 1 . 2 . 3 ]" 1 378 1 16 CYS HA 1 36 TYR HA 3.770 . 3.770 2.801 2.662 2.983 . 0 0 "[ . 1 . 2 . 3 ]" 1 379 1 16 CYS HA 1 36 TYR QD 5.500 . 5.500 3.164 2.974 3.461 . 0 0 "[ . 1 . 2 . 3 ]" 1 380 1 16 CYS HB2 1 17 LEU H 5.380 . 5.380 4.223 4.121 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 381 1 16 CYS HB2 1 18 ILE H 5.060 . 5.060 4.726 4.582 4.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 382 1 16 CYS HB2 1 19 CYS H 4.730 . 4.730 4.420 4.306 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 383 1 16 CYS HB2 1 20 LYS H 5.500 . 5.500 5.496 5.362 5.577 0.077 16 0 "[ . 1 . 2 . 3 ]" 1 384 1 16 CYS HB2 1 21 ASP H 5.230 . 5.230 4.466 4.286 4.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 385 1 16 CYS HB2 1 23 MET H 5.500 . 5.500 4.549 4.229 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 386 1 16 CYS HB2 1 23 MET HA 5.500 . 5.500 4.901 4.029 5.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 387 1 16 CYS HB2 1 23 MET HB3 5.430 . 5.430 3.182 2.184 3.473 . 0 0 "[ . 1 . 2 . 3 ]" 1 388 1 16 CYS HB2 1 23 MET ME 4.140 . 4.140 2.806 2.515 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1 389 1 16 CYS HB2 1 23 MET HG2 4.190 . 4.190 1.951 1.840 2.100 . 0 0 "[ . 1 . 2 . 3 ]" 1 390 1 16 CYS HB2 1 23 MET HG3 4.190 . 4.190 2.082 1.855 3.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 391 1 16 CYS HB2 1 26 ALA MB 5.290 . 5.290 4.915 4.354 5.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 392 1 16 CYS HB2 1 36 TYR HA 5.270 . 5.270 2.898 2.750 3.037 . 0 0 "[ . 1 . 2 . 3 ]" 1 393 1 16 CYS HB2 1 37 CYS H 4.180 . 4.180 2.776 2.543 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 394 1 16 CYS HB3 1 18 ILE H 4.850 . 4.850 4.314 4.190 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 395 1 16 CYS HB3 1 18 ILE MD 5.500 . 5.500 5.444 5.291 5.564 0.064 8 0 "[ . 1 . 2 . 3 ]" 1 396 1 16 CYS HB3 1 19 CYS H 4.210 . 4.210 3.211 3.044 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 397 1 16 CYS HB3 1 20 LYS H 4.490 . 4.490 3.977 3.806 4.155 . 0 0 "[ . 1 . 2 . 3 ]" 1 398 1 16 CYS HB3 1 20 LYS HA 5.500 . 5.500 4.816 4.611 5.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 399 1 16 CYS HB3 1 21 ASP H 3.660 . 3.660 2.775 2.620 2.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 400 1 16 CYS HB3 1 23 MET ME 4.960 . 4.960 3.955 3.639 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 401 1 16 CYS HB3 1 23 MET HG2 4.460 . 4.460 3.545 3.165 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 402 1 16 CYS HB3 1 23 MET HG3 5.080 . 5.080 3.071 2.751 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 403 1 16 CYS HB3 1 36 TYR HA 5.500 . 5.500 4.414 4.335 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1 404 1 17 LEU H 1 17 LEU MD1 4.280 . 4.280 3.459 2.140 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 405 1 17 LEU H 1 17 LEU QD 3.630 . 3.630 2.467 2.133 2.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 406 1 17 LEU H 1 17 LEU MD2 4.280 . 4.280 2.599 2.292 4.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 407 1 17 LEU H 1 17 LEU HG 4.200 . 4.200 1.846 1.700 2.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 408 1 17 LEU H 1 18 ILE H 4.470 . 4.470 2.475 2.325 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 409 1 17 LEU H 1 21 ASP H 5.500 . 5.500 5.465 5.331 5.566 0.066 20 0 "[ . 1 . 2 . 3 ]" 1 410 1 17 LEU H 1 36 TYR HA 4.750 . 4.750 4.114 3.872 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 411 1 17 LEU H 2 71 PHE QE 5.460 . 5.460 4.532 4.225 4.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 412 1 17 LEU HA 1 17 LEU MD1 4.250 . 4.250 3.971 3.601 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 413 1 17 LEU HA 1 17 LEU QD 4.040 . 4.040 2.472 2.342 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 414 1 17 LEU HA 1 17 LEU MD2 4.250 . 4.250 2.506 2.359 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 415 1 17 LEU HA 1 17 LEU HG 3.680 . 3.680 3.432 2.451 3.603 . 0 0 "[ . 1 . 2 . 3 ]" 1 416 1 17 LEU HA 1 19 CYS H 5.090 . 5.090 4.775 4.556 4.970 . 0 0 "[ . 1 . 2 . 3 ]" 1 417 1 17 LEU HA 1 20 LYS H 3.910 . 3.910 3.409 3.137 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1 418 1 17 LEU HA 1 20 LYS HD2 4.220 . 4.220 4.022 2.607 4.287 0.067 15 0 "[ . 1 . 2 . 3 ]" 1 419 1 17 LEU HA 1 20 LYS HD3 4.220 . 4.220 2.734 2.239 4.242 0.022 4 0 "[ . 1 . 2 . 3 ]" 1 420 1 17 LEU HA 1 20 LYS QE 3.900 . 3.900 3.473 2.959 3.947 0.047 1 0 "[ . 1 . 2 . 3 ]" 1 421 1 17 LEU HB2 1 17 LEU MD1 3.600 . 3.600 2.230 2.075 2.323 . 0 0 "[ . 1 . 2 . 3 ]" 1 422 1 17 LEU HB2 1 17 LEU QD 2.980 . 2.980 2.189 2.039 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 423 1 17 LEU HB2 1 17 LEU MD2 3.600 . 3.600 3.182 2.838 3.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 424 1 17 LEU HB2 1 18 ILE H 4.450 . 4.450 2.815 2.528 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1 425 1 17 LEU HB2 1 36 TYR QD 5.280 . 5.280 3.219 2.742 4.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 426 1 17 LEU HB3 1 17 LEU MD1 3.600 . 3.600 2.486 2.403 3.020 . 0 0 "[ . 1 . 2 . 3 ]" 1 427 1 17 LEU HB3 1 17 LEU QD 2.980 . 2.980 2.135 2.076 2.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 428 1 17 LEU HB3 1 17 LEU MD2 3.600 . 3.600 2.341 2.114 2.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 429 1 17 LEU HB3 1 18 ILE H 4.450 . 4.450 4.031 3.511 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 430 1 17 LEU HB3 1 36 TYR QD 4.990 . 4.990 4.574 4.409 5.004 0.014 16 0 "[ . 1 . 2 . 3 ]" 1 431 1 17 LEU QD 1 18 ILE H 3.910 . 3.910 3.844 3.252 3.922 0.012 2 0 "[ . 1 . 2 . 3 ]" 1 432 1 17 LEU QD 1 20 LYS H 5.440 . 5.440 5.011 4.898 5.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 433 1 17 LEU QD 1 20 LYS QE 5.270 . 5.270 4.135 3.162 4.839 . 0 0 "[ . 1 . 2 . 3 ]" 1 434 1 17 LEU QD 1 23 MET ME 4.710 . 4.710 4.370 3.889 4.700 . 0 0 "[ . 1 . 2 . 3 ]" 1 435 1 17 LEU QD 1 34 ASN HA 4.440 . 4.440 4.288 4.035 4.455 0.015 19 0 "[ . 1 . 2 . 3 ]" 1 436 1 17 LEU QD 1 34 ASN HB2 4.180 . 4.180 3.595 3.405 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 437 1 17 LEU QD 1 34 ASN HB3 3.610 . 3.610 2.603 2.356 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 438 1 17 LEU QD 1 34 ASN HD21 4.520 . 4.520 4.257 4.045 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1 439 1 17 LEU QD 1 34 ASN HD22 4.400 . 4.400 4.041 3.706 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1 440 1 17 LEU QD 1 36 TYR HA 5.350 . 5.350 5.021 4.758 5.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 441 1 17 LEU QD 1 36 TYR HB3 4.720 . 4.720 4.864 4.670 4.910 0.190 2 0 "[ . 1 . 2 . 3 ]" 1 442 1 17 LEU QD 1 36 TYR QD 4.030 . 4.030 3.226 2.860 3.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 443 1 17 LEU QD 1 36 TYR QE 3.280 . 3.280 1.839 1.778 1.894 . 0 0 "[ . 1 . 2 . 3 ]" 1 444 1 17 LEU QD 1 36 TYR HH 4.590 . 4.590 2.544 2.334 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 445 1 17 LEU QD 1 55 THR H 5.440 . 5.440 5.213 4.669 5.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 446 1 17 LEU QD 1 55 THR HA 5.440 . 5.440 3.593 3.114 3.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 447 1 17 LEU QD 1 55 THR HB 4.300 . 4.300 2.719 2.445 2.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 448 1 17 LEU QD 1 55 THR MG 3.200 . 3.200 3.328 3.027 3.395 0.195 6 0 "[ . 1 . 2 . 3 ]" 1 449 1 17 LEU QD 1 56 CYS H 5.440 . 5.440 5.443 5.161 5.502 0.062 26 0 "[ . 1 . 2 . 3 ]" 1 450 1 17 LEU QD 2 71 PHE QD 4.910 . 4.910 4.328 4.124 4.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 451 1 17 LEU QD 2 71 PHE QE 3.570 . 3.570 2.716 2.446 3.138 . 0 0 "[ . 1 . 2 . 3 ]" 1 452 1 17 LEU QD 2 71 PHE HZ 3.790 . 3.790 2.336 2.103 2.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 453 1 17 LEU MD1 1 18 ILE H 4.740 . 4.740 4.305 3.406 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 454 1 17 LEU MD1 1 36 TYR QE 4.350 . 4.350 1.845 1.780 1.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 455 1 17 LEU MD1 1 36 TYR HH 5.500 . 5.500 2.555 2.354 2.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 456 1 17 LEU MD1 1 55 THR HB 5.500 . 5.500 2.731 2.464 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 457 1 17 LEU MD1 2 71 PHE QE 4.700 . 4.700 3.214 2.671 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 458 1 17 LEU MD2 1 18 ILE H 4.740 . 4.740 4.351 4.118 4.817 0.077 22 0 "[ . 1 . 2 . 3 ]" 1 459 1 17 LEU MD2 1 36 TYR QE 4.350 . 4.350 3.753 2.350 4.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 460 1 17 LEU MD2 1 36 TYR HH 5.500 . 5.500 4.890 3.420 5.078 . 0 0 "[ . 1 . 2 . 3 ]" 1 461 1 17 LEU MD2 1 55 THR HB 5.500 . 5.500 5.330 3.615 5.518 0.018 29 0 "[ . 1 . 2 . 3 ]" 1 462 1 17 LEU MD2 2 71 PHE QE 4.700 . 4.700 3.013 2.531 4.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 463 1 17 LEU HG 1 36 TYR QD 5.040 . 5.040 2.519 2.251 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 464 1 17 LEU HG 1 36 TYR QE 5.030 . 5.030 2.436 2.182 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1 465 1 17 LEU HG 1 55 THR MG 5.500 . 5.500 5.454 5.325 5.803 0.303 22 0 "[ . 1 . 2 . 3 ]" 1 466 1 17 LEU HG 2 71 PHE QE 4.580 . 4.580 4.046 3.681 4.660 0.080 16 0 "[ . 1 . 2 . 3 ]" 1 467 1 17 LEU HG 2 71 PHE HZ 5.500 . 5.500 2.918 2.526 3.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 468 1 18 ILE H 1 18 ILE HB 3.680 . 3.680 2.722 2.685 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 469 1 18 ILE H 1 18 ILE MD 3.710 . 3.710 3.466 3.415 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 470 1 18 ILE H 1 19 CYS H 3.590 . 3.590 2.966 2.837 3.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 471 1 18 ILE H 1 19 CYS HA 5.500 . 5.500 5.416 5.347 5.520 0.020 22 0 "[ . 1 . 2 . 3 ]" 1 472 1 18 ILE H 1 20 LYS H 4.170 . 4.170 3.668 3.545 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 473 1 18 ILE H 1 20 LYS QE 5.500 . 5.500 5.315 4.952 5.615 0.115 2 0 "[ . 1 . 2 . 3 ]" 1 474 1 18 ILE H 1 36 TYR HB2 5.440 . 5.440 4.819 4.634 5.217 . 0 0 "[ . 1 . 2 . 3 ]" 1 475 1 18 ILE H 1 36 TYR HB3 4.780 . 4.780 3.320 3.160 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 476 1 18 ILE H 1 36 TYR QD 4.210 . 4.210 2.489 2.202 2.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 477 1 18 ILE H 1 36 TYR QE 5.050 . 5.050 3.999 3.454 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 478 1 18 ILE H 1 40 CYS QB 5.500 . 5.500 4.397 4.291 4.618 . 0 0 "[ . 1 . 2 . 3 ]" 1 479 1 18 ILE H 1 54 PRO HB2 5.500 . 5.500 5.116 4.822 5.399 . 0 0 "[ . 1 . 2 . 3 ]" 1 480 1 18 ILE HA 1 18 ILE MD 3.980 . 3.980 3.835 3.818 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 481 1 18 ILE HA 1 36 TYR QD 5.110 . 5.110 4.846 4.582 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 482 1 18 ILE HA 1 54 PRO HB2 4.820 . 4.820 4.098 3.818 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 483 1 18 ILE HB 1 18 ILE MD 3.170 . 3.170 2.497 2.464 2.536 . 0 0 "[ . 1 . 2 . 3 ]" 1 484 1 18 ILE HB 1 19 CYS H 3.700 . 3.700 2.336 2.225 2.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 485 1 18 ILE HB 1 19 CYS QB 5.030 . 5.030 4.018 3.881 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 486 1 18 ILE HB 1 20 LYS H 5.450 . 5.450 4.388 4.282 4.541 . 0 0 "[ . 1 . 2 . 3 ]" 1 487 1 18 ILE HB 1 36 TYR QD 5.170 . 5.170 4.291 3.975 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 488 1 18 ILE HB 1 37 CYS H 5.130 . 5.130 4.509 4.389 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1 489 1 18 ILE HB 1 40 CYS HA 5.500 . 5.500 4.612 4.471 4.855 . 0 0 "[ . 1 . 2 . 3 ]" 1 490 1 18 ILE HB 1 40 CYS QB 4.060 . 4.060 2.251 2.102 2.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 491 1 18 ILE HB 1 41 ILE H 5.500 . 5.500 5.169 5.016 5.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 492 1 18 ILE MD 1 19 CYS H 4.860 . 4.860 4.361 4.282 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 493 1 18 ILE MD 1 29 ILE MD 5.250 . 5.250 4.908 4.801 5.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 494 1 18 ILE MD 1 36 TYR H 5.210 . 5.210 4.957 4.886 5.009 . 0 0 "[ . 1 . 2 . 3 ]" 1 495 1 18 ILE MD 1 36 TYR HA 4.820 . 4.820 4.325 4.156 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 496 1 18 ILE MD 1 36 TYR HB2 3.840 . 3.840 2.265 2.179 2.356 . 0 0 "[ . 1 . 2 . 3 ]" 1 497 1 18 ILE MD 1 36 TYR HB3 3.970 . 3.970 2.436 2.139 2.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 498 1 18 ILE MD 1 36 TYR QD 3.540 . 3.540 2.993 2.903 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 499 1 18 ILE MD 1 36 TYR QE 4.160 . 4.160 3.814 3.738 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 500 1 18 ILE MD 1 37 CYS H 4.530 . 4.530 3.609 3.526 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 501 1 18 ILE MD 1 37 CYS HA 5.500 . 5.500 5.550 5.526 5.571 0.071 27 0 "[ . 1 . 2 . 3 ]" 1 502 1 18 ILE MD 1 37 CYS HB3 5.500 . 5.500 5.615 5.567 5.680 0.180 22 0 "[ . 1 . 2 . 3 ]" 1 503 1 18 ILE MD 1 40 CYS H 4.820 . 4.820 4.200 4.150 4.286 . 0 0 "[ . 1 . 2 . 3 ]" 1 504 1 18 ILE MD 1 40 CYS HA 3.980 . 3.980 3.521 3.444 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1 505 1 18 ILE MD 1 40 CYS QB 3.340 . 3.340 1.795 1.680 1.847 . 0 0 "[ . 1 . 2 . 3 ]" 1 506 1 18 ILE MD 1 40 CYS HB3 3.860 . 3.860 1.860 1.697 1.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 507 1 18 ILE MD 1 41 ILE H 3.900 . 3.900 2.737 2.683 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 508 1 18 ILE MD 1 41 ILE HA 3.100 . 3.100 2.228 2.151 2.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 509 1 18 ILE MD 1 41 ILE HB 4.270 . 4.270 2.756 2.646 2.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 510 1 18 ILE MD 1 41 ILE MD 3.030 . 3.030 2.435 2.274 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 511 1 18 ILE MD 1 42 ARG H 5.500 . 5.500 4.494 4.440 4.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 512 1 18 ILE MD 1 43 THR HB 5.500 . 5.500 4.590 4.466 4.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 513 1 18 ILE MD 1 44 ALA H 4.640 . 4.640 3.898 3.766 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 514 1 18 ILE MD 1 44 ALA MB 3.540 . 3.540 2.882 2.746 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 515 1 18 ILE MD 1 54 PRO HG2 3.880 . 3.880 2.929 2.811 3.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 516 1 18 ILE MD 1 54 PRO HG3 3.430 . 3.430 2.520 2.384 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 517 1 19 CYS H 1 19 CYS QB 3.500 . 3.500 2.964 2.887 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1 518 1 19 CYS H 1 20 LYS H 3.660 . 3.660 2.351 2.264 2.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 519 1 19 CYS H 1 20 LYS HA 4.720 . 4.720 4.471 4.367 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 520 1 19 CYS H 1 21 ASP H 4.060 . 4.060 3.630 3.535 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 521 1 19 CYS H 1 40 CYS QB 5.120 . 5.120 4.071 3.935 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 522 1 19 CYS HA 1 21 ASP H 5.140 . 5.140 4.676 4.541 4.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 523 1 19 CYS QB 1 20 LYS H 4.260 . 4.260 3.871 3.832 3.909 . 0 0 "[ . 1 . 2 . 3 ]" 1 524 1 19 CYS QB 1 20 LYS HA 5.500 . 5.500 5.318 5.255 5.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 525 1 19 CYS QB 1 21 ASP H 4.790 . 4.790 3.764 3.565 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 526 1 19 CYS QB 1 21 ASP HB2 4.920 . 4.920 3.751 3.386 4.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 527 1 19 CYS QB 1 21 ASP QB 4.150 . 4.150 3.297 3.105 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 528 1 19 CYS QB 1 21 ASP HB3 5.020 . 5.020 3.682 3.332 4.051 . 0 0 "[ . 1 . 2 . 3 ]" 1 529 1 19 CYS QB 1 40 CYS QB 4.910 . 4.910 4.524 4.304 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1 530 1 20 LYS H 1 20 LYS HB2 4.030 . 4.030 3.450 3.077 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 531 1 20 LYS H 1 20 LYS HD2 4.930 . 4.930 4.385 2.631 4.757 . 0 0 "[ . 1 . 2 . 3 ]" 1 532 1 20 LYS H 1 20 LYS HD3 4.270 . 4.270 3.175 2.880 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 533 1 20 LYS H 1 20 LYS QE 4.790 . 4.790 4.144 3.912 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 534 1 20 LYS H 1 20 LYS HG2 5.030 . 5.030 2.967 2.678 4.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 535 1 20 LYS H 1 20 LYS HG3 5.030 . 5.030 4.321 4.249 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 536 1 20 LYS H 1 21 ASP H 3.480 . 3.480 2.831 2.755 2.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 537 1 20 LYS HA 1 20 LYS HD2 3.820 . 3.820 2.941 2.053 3.247 . 0 0 "[ . 1 . 2 . 3 ]" 1 538 1 20 LYS HA 1 20 LYS HD3 3.820 . 3.820 2.181 1.903 3.419 . 0 0 "[ . 1 . 2 . 3 ]" 1 539 1 20 LYS HA 1 20 LYS QE 4.750 . 4.750 3.865 3.516 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 540 1 20 LYS HA 1 20 LYS HG2 3.790 . 3.790 3.062 2.901 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 541 1 20 LYS HA 1 20 LYS HG3 4.030 . 4.030 3.626 2.457 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 542 1 20 LYS HA 1 21 ASP H 3.440 . 3.440 2.882 2.802 2.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 543 1 20 LYS HA 1 21 ASP HA 4.620 . 4.620 4.364 4.330 4.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 544 1 20 LYS HB2 1 20 LYS HD2 3.960 . 3.960 3.624 2.949 3.743 . 0 0 "[ . 1 . 2 . 3 ]" 1 545 1 20 LYS HB2 1 20 LYS HD3 3.960 . 3.960 3.621 2.534 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 546 1 20 LYS HB2 1 20 LYS QE 4.740 . 4.740 4.413 4.184 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 547 1 20 LYS HB2 1 21 ASP H 4.770 . 4.770 4.197 4.113 4.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 548 1 20 LYS HB3 1 20 LYS HD2 3.980 . 3.980 2.596 2.412 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 549 1 20 LYS HB3 1 20 LYS HD3 3.980 . 3.980 3.090 2.867 3.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 550 1 20 LYS HB3 1 20 LYS QE 4.740 . 4.740 4.152 3.908 4.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 551 1 20 LYS HB3 1 21 ASP H 4.770 . 4.770 4.422 4.229 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 552 1 20 LYS QE 1 20 LYS HG2 3.590 . 3.590 2.497 2.249 2.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 553 1 20 LYS QE 1 20 LYS HG3 3.230 . 3.230 2.732 2.277 3.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 554 1 21 ASP H 1 21 ASP HB2 4.040 . 4.040 3.131 2.988 3.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 555 1 21 ASP H 1 21 ASP QB 3.260 . 3.260 2.770 2.740 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 556 1 21 ASP H 1 21 ASP HB3 4.040 . 4.040 3.102 2.953 3.247 . 0 0 "[ . 1 . 2 . 3 ]" 1 557 1 21 ASP H 1 22 ILE H 4.470 . 4.470 4.389 4.354 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 558 1 21 ASP HA 1 22 ILE H 3.380 . 3.380 2.453 2.373 2.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 559 1 21 ASP HA 1 22 ILE HA 4.840 . 4.840 4.299 4.269 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 560 1 21 ASP HA 1 22 ILE HB 4.820 . 4.820 4.464 4.401 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 561 1 21 ASP HB2 1 22 ILE H 4.130 . 4.130 3.865 3.738 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 562 1 21 ASP HB3 1 22 ILE H 4.130 . 4.130 3.168 2.852 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 563 1 22 ILE H 1 22 ILE HB 3.460 . 3.460 2.301 2.210 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 564 1 22 ILE H 1 22 ILE MD 4.390 . 4.390 4.322 4.007 4.399 0.009 17 0 "[ . 1 . 2 . 3 ]" 1 565 1 22 ILE H 1 85 TYR QE 4.330 . 4.330 4.110 3.841 4.345 0.015 9 0 "[ . 1 . 2 . 3 ]" 1 566 1 22 ILE HA 1 22 ILE MD 3.880 . 3.880 3.656 2.939 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 567 1 22 ILE HA 1 23 MET H 3.240 . 3.240 2.364 2.300 2.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 568 1 22 ILE HA 1 23 MET HA 4.690 . 4.690 4.449 4.414 4.473 . 0 0 "[ . 1 . 2 . 3 ]" 1 569 1 22 ILE HA 1 23 MET HB2 5.500 . 5.500 5.496 5.469 5.524 0.024 16 0 "[ . 1 . 2 . 3 ]" 1 570 1 22 ILE HA 1 23 MET HB3 5.500 . 5.500 4.933 4.766 5.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 571 1 22 ILE HA 1 23 MET ME 4.800 . 4.800 3.860 3.728 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 572 1 22 ILE HA 1 23 MET HG2 5.190 . 5.190 4.821 3.360 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 573 1 22 ILE HA 1 23 MET HG3 4.890 . 4.890 3.226 3.118 3.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 574 1 22 ILE HB 1 22 ILE MD 3.100 . 3.100 2.412 2.115 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 1 575 1 22 ILE HB 1 23 MET H 4.440 . 4.440 4.038 3.911 4.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 576 1 22 ILE HB 1 79 PHE QE 5.260 . 5.260 3.766 3.552 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 577 1 22 ILE HB 1 85 TYR QD 5.310 . 5.310 4.631 4.185 4.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 578 1 22 ILE HB 1 85 TYR QE 4.070 . 4.070 4.064 3.483 4.175 0.105 22 0 "[ . 1 . 2 . 3 ]" 1 579 1 22 ILE MD 1 23 MET H 4.350 . 4.350 3.696 3.529 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 580 1 22 ILE MD 1 23 MET HA 5.500 . 5.500 5.286 5.141 5.659 0.159 20 0 "[ . 1 . 2 . 3 ]" 1 581 1 22 ILE MD 1 76 VAL H 5.500 . 5.500 4.730 4.588 4.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 582 1 22 ILE MD 1 76 VAL HA 3.810 . 3.810 2.360 2.174 2.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 583 1 22 ILE MD 1 76 VAL HB 4.970 . 4.970 4.161 4.031 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 584 1 22 ILE MD 1 77 ASN H 5.500 . 5.500 5.078 4.934 5.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 585 1 22 ILE MD 1 79 PHE H 4.980 . 4.980 4.774 4.588 5.001 0.021 10 0 "[ . 1 . 2 . 3 ]" 1 586 1 22 ILE MD 1 79 PHE QB 3.780 . 3.780 3.000 2.872 3.217 . 0 0 "[ . 1 . 2 . 3 ]" 1 587 1 22 ILE MD 1 79 PHE QD 3.360 . 3.360 2.077 1.939 2.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 588 1 22 ILE MD 1 79 PHE QE 3.370 . 3.370 2.357 2.242 2.610 . 0 0 "[ . 1 . 2 . 3 ]" 1 589 1 22 ILE MD 1 79 PHE HZ 4.450 . 4.450 4.190 4.068 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 590 1 22 ILE MD 1 80 LYS H 4.350 . 4.350 3.637 3.468 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 591 1 22 ILE MD 1 80 LYS HA 4.680 . 4.680 3.968 3.709 4.475 . 0 0 "[ . 1 . 2 . 3 ]" 1 592 1 22 ILE MD 1 80 LYS HD3 5.260 . 5.260 4.012 3.673 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 593 1 22 ILE MD 1 80 LYS QE 3.550 . 3.550 2.036 1.747 2.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 594 1 22 ILE MD 1 80 LYS HG2 3.500 . 3.500 2.533 2.260 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 595 1 22 ILE MD 1 85 TYR HB2 4.490 . 4.490 4.430 4.090 4.738 0.248 20 0 "[ . 1 . 2 . 3 ]" 1 596 1 22 ILE MD 1 85 TYR HB3 5.500 . 5.500 4.048 3.763 4.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 597 1 22 ILE MD 1 85 TYR QE 4.570 . 4.570 4.099 3.779 4.657 0.087 10 0 "[ . 1 . 2 . 3 ]" 1 598 1 23 MET H 1 23 MET HB2 4.060 . 4.060 3.616 3.519 3.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 599 1 23 MET H 1 23 MET HB3 4.060 . 4.060 3.680 3.506 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 600 1 23 MET H 1 23 MET ME 4.230 . 4.230 3.602 3.497 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 601 1 23 MET H 1 23 MET HG2 4.260 . 4.260 3.826 2.617 3.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 602 1 23 MET H 1 23 MET HG3 4.260 . 4.260 2.572 1.994 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 603 1 23 MET H 1 26 ALA MB 5.370 . 5.370 4.466 4.351 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 604 1 23 MET H 1 72 LEU MD1 5.500 . 5.500 4.520 4.241 4.793 . 0 0 "[ . 1 . 2 . 3 ]" 1 605 1 23 MET H 1 76 VAL HA 5.500 . 5.500 5.585 5.536 5.619 0.119 27 0 "[ . 1 . 2 . 3 ]" 1 606 1 23 MET H 1 76 VAL HB 5.500 . 5.500 5.391 5.291 5.525 0.025 27 0 "[ . 1 . 2 . 3 ]" 1 607 1 23 MET HA 1 23 MET HG3 4.200 . 4.200 3.460 3.306 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 1 608 1 23 MET HA 1 24 THR H 3.440 . 3.440 2.352 2.141 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 609 1 23 MET HA 1 24 THR HB 4.600 . 4.600 4.260 4.011 4.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 610 1 23 MET HA 1 24 THR MG 4.370 . 4.370 3.985 3.633 4.448 0.078 9 0 "[ . 1 . 2 . 3 ]" 1 611 1 23 MET HA 1 26 ALA MB 5.500 . 5.500 5.211 4.646 5.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 612 1 23 MET HA 1 37 CYS HB3 5.500 . 5.500 4.938 4.156 5.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 613 1 23 MET HB2 1 24 THR H 4.390 . 4.390 2.552 2.445 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 614 1 23 MET HB2 1 24 THR MG 4.740 . 4.740 4.345 4.094 4.773 0.033 20 0 "[ . 1 . 2 . 3 ]" 1 615 1 23 MET HB2 1 26 ALA HA 4.880 . 4.880 3.695 3.106 3.979 . 0 0 "[ . 1 . 2 . 3 ]" 1 616 1 23 MET HB2 1 26 ALA MB 3.970 . 3.970 3.209 2.256 3.648 . 0 0 "[ . 1 . 2 . 3 ]" 1 617 1 23 MET HB2 1 37 CYS H 5.250 . 5.250 4.039 3.596 4.268 . 0 0 "[ . 1 . 2 . 3 ]" 1 618 1 23 MET HB2 1 37 CYS HA 4.920 . 4.920 2.811 2.528 3.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 619 1 23 MET HB3 1 23 MET ME 4.360 . 4.360 4.229 3.976 4.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 620 1 23 MET HB3 1 24 THR H 4.440 . 4.440 3.251 3.025 3.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 621 1 23 MET HB3 1 26 ALA HA 5.500 . 5.500 5.165 4.611 5.510 0.010 7 0 "[ . 1 . 2 . 3 ]" 1 622 1 23 MET HB3 1 37 CYS HA 5.500 . 5.500 3.355 2.828 3.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 623 1 23 MET ME 1 23 MET HG2 3.340 . 3.340 2.395 2.351 2.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 624 1 23 MET ME 1 23 MET HG3 3.340 . 3.340 2.543 2.458 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1 625 1 23 MET ME 1 26 ALA H 5.500 . 5.500 5.091 4.833 5.556 0.056 20 0 "[ . 1 . 2 . 3 ]" 1 626 1 23 MET ME 1 26 ALA MB 3.670 . 3.670 2.587 2.376 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 627 1 23 MET ME 1 27 VAL H 5.500 . 5.500 4.761 4.565 5.187 . 0 0 "[ . 1 . 2 . 3 ]" 1 628 1 23 MET ME 1 35 SER HA 5.500 . 5.500 4.492 4.087 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 629 1 23 MET ME 1 36 TYR H 5.500 . 5.500 3.833 3.621 4.070 . 0 0 "[ . 1 . 2 . 3 ]" 1 630 1 23 MET ME 1 36 TYR HA 3.960 . 3.960 2.292 2.079 2.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 631 1 23 MET ME 1 36 TYR QD 5.500 . 5.500 4.481 4.333 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 632 1 23 MET ME 1 37 CYS H 5.170 . 5.170 3.890 3.579 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 633 1 23 MET ME 1 69 ASN HD21 5.500 . 5.500 5.231 4.824 5.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 634 1 23 MET ME 1 72 LEU HA 5.230 . 5.230 5.206 4.910 5.270 0.040 30 0 "[ . 1 . 2 . 3 ]" 1 635 1 23 MET ME 1 72 LEU MD1 3.770 . 3.770 1.869 1.766 2.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 636 1 23 MET ME 1 72 LEU QD 2.660 . 2.660 1.824 1.752 1.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 637 1 23 MET ME 1 72 LEU MD2 3.770 . 3.770 3.407 1.825 3.778 0.008 22 0 "[ . 1 . 2 . 3 ]" 1 638 1 23 MET ME 2 71 PHE QD 5.310 . 5.310 3.165 2.812 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 639 1 23 MET ME 2 71 PHE QE 4.710 . 4.710 2.248 1.842 2.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 640 1 23 MET HG2 1 24 THR H 5.500 . 5.500 4.899 4.816 5.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 641 1 23 MET HG2 1 26 ALA MB 4.630 . 4.630 3.469 2.787 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1 642 1 23 MET HG2 1 36 TYR HA 4.980 . 4.980 2.843 2.458 3.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 643 1 23 MET HG2 1 37 CYS H 4.470 . 4.470 2.676 2.447 4.180 . 0 0 "[ . 1 . 2 . 3 ]" 1 644 1 23 MET HG2 1 37 CYS HA 4.990 . 4.990 3.361 2.955 5.034 0.044 10 0 "[ . 1 . 2 . 3 ]" 1 645 1 23 MET HG2 1 72 LEU QD 5.440 . 5.440 4.538 3.851 4.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 646 1 23 MET HG3 1 24 THR H 5.140 . 5.140 4.917 4.646 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 647 1 23 MET HG3 1 26 ALA MB 4.780 . 4.780 4.163 2.861 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 648 1 23 MET HG3 1 37 CYS H 5.500 . 5.500 4.055 3.797 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 649 1 23 MET HG3 1 72 LEU QD 5.440 . 5.440 4.600 3.139 4.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 650 1 24 THR H 1 24 THR HB 3.620 . 3.620 2.907 2.690 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 651 1 24 THR H 1 24 THR MG 3.160 . 3.160 2.237 1.986 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 652 1 24 THR H 1 37 CYS HB3 5.420 . 5.420 4.543 3.952 4.903 . 0 0 "[ . 1 . 2 . 3 ]" 1 653 1 24 THR HA 1 24 THR MG 3.300 . 3.300 3.216 3.158 3.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 654 1 24 THR HA 1 25 ASP H 3.270 . 3.270 2.279 2.217 2.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 655 1 24 THR HA 1 26 ALA H 4.450 . 4.450 3.484 3.312 3.740 . 0 0 "[ . 1 . 2 . 3 ]" 1 656 1 24 THR HA 1 73 ARG HA 4.280 . 4.280 4.311 4.245 4.373 0.093 25 0 "[ . 1 . 2 . 3 ]" 1 657 1 24 THR HA 1 73 ARG QB 5.260 . 5.260 4.819 3.630 5.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 658 1 24 THR MG 1 25 ASP H 3.790 . 3.790 3.500 3.048 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 659 1 24 THR MG 1 25 ASP HA 4.870 . 4.870 4.580 4.118 4.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 660 1 24 THR MG 1 25 ASP HB2 4.310 . 4.310 2.707 2.304 3.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 661 1 24 THR MG 1 25 ASP HB3 4.770 . 4.770 4.233 3.675 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1 662 1 24 THR MG 1 37 CYS HB3 5.500 . 5.500 5.039 4.387 5.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 663 1 24 THR MG 1 38 ASP H 5.500 . 5.500 5.358 4.904 5.551 0.051 4 0 "[ . 1 . 2 . 3 ]" 1 664 1 25 ASP H 1 25 ASP HB3 4.170 . 4.170 4.061 3.946 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1 665 1 25 ASP H 1 26 ALA H 4.080 . 4.080 2.693 2.601 2.810 . 0 0 "[ . 1 . 2 . 3 ]" 1 666 1 25 ASP H 1 26 ALA MB 5.190 . 5.190 4.318 4.224 4.426 . 0 0 "[ . 1 . 2 . 3 ]" 1 667 1 25 ASP HA 1 26 ALA H 3.530 . 3.530 2.801 2.686 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 668 1 25 ASP HA 1 73 ARG QB 4.530 . 4.530 3.240 2.041 3.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 669 1 25 ASP HA 1 73 ARG HD2 5.420 . 5.420 4.002 2.030 4.743 . 0 0 "[ . 1 . 2 . 3 ]" 1 670 1 25 ASP HA 1 73 ARG HD3 5.090 . 5.090 3.348 2.405 4.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 671 1 25 ASP HA 1 73 ARG HE 4.790 . 4.790 3.291 2.750 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 672 1 25 ASP HA 1 73 ARG HG2 5.380 . 5.380 2.750 1.857 5.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 673 1 25 ASP HA 1 73 ARG HG3 4.840 . 4.840 3.723 3.075 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 674 1 25 ASP HB2 1 38 ASP H 5.500 . 5.500 5.089 4.294 5.531 0.031 28 0 "[ . 1 . 2 . 3 ]" 1 675 1 25 ASP HB2 1 38 ASP QB 5.340 . 5.340 4.582 3.711 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 676 1 25 ASP HB3 1 26 ALA H 5.030 . 5.030 4.340 4.167 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 677 1 25 ASP HB3 1 26 ALA HA 5.500 . 5.500 4.969 4.676 5.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 678 1 26 ALA H 1 26 ALA MB 3.000 . 3.000 2.217 2.191 2.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 679 1 26 ALA H 1 27 VAL H 4.690 . 4.690 4.594 4.567 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 680 1 26 ALA H 1 37 CYS HA 5.370 . 5.370 5.043 4.760 5.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 681 1 26 ALA H 1 73 ARG QB 4.280 . 4.280 3.811 2.130 4.282 0.002 5 0 "[ . 1 . 2 . 3 ]" 1 682 1 26 ALA H 1 73 ARG HE 5.500 . 5.500 3.838 3.345 5.551 0.051 17 0 "[ . 1 . 2 . 3 ]" 1 683 1 26 ALA HA 1 27 VAL H 3.250 . 3.250 2.196 2.148 2.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 684 1 26 ALA HA 1 37 CYS HA 4.010 . 4.010 2.998 2.735 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 685 1 26 ALA HA 1 38 ASP H 4.230 . 4.230 3.587 2.755 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 686 1 26 ALA HA 1 38 ASP QB 5.340 . 5.340 4.383 3.491 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1 687 1 26 ALA MB 1 27 VAL H 3.350 . 3.350 2.765 2.384 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 688 1 26 ALA MB 1 27 VAL HA 4.470 . 4.470 4.076 4.008 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 689 1 26 ALA MB 1 35 SER HA 5.120 . 5.120 4.325 4.130 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 690 1 26 ALA MB 1 36 TYR H 4.500 . 4.500 3.627 3.140 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 691 1 26 ALA MB 1 36 TYR HA 4.370 . 4.370 3.901 3.339 4.170 . 0 0 "[ . 1 . 2 . 3 ]" 1 692 1 26 ALA MB 1 37 CYS H 5.180 . 5.180 4.706 3.827 4.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 693 1 26 ALA MB 1 37 CYS HA 3.990 . 3.990 3.881 2.897 4.058 0.068 9 0 "[ . 1 . 2 . 3 ]" 1 694 1 26 ALA MB 1 38 ASP H 5.500 . 5.500 4.937 3.950 5.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 695 1 26 ALA MB 1 69 ASN H 5.220 . 5.220 4.551 4.337 5.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 696 1 26 ALA MB 1 69 ASN HB2 5.500 . 5.500 4.450 4.120 5.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 697 1 26 ALA MB 1 69 ASN HB3 4.590 . 4.590 3.383 3.150 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1 698 1 26 ALA MB 1 69 ASN HD21 5.260 . 5.260 4.293 4.052 5.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 699 1 26 ALA MB 1 72 LEU HA 5.370 . 5.370 4.570 4.331 5.422 0.052 8 0 "[ . 1 . 2 . 3 ]" 1 700 1 26 ALA MB 1 72 LEU MD1 3.830 . 3.830 2.105 1.721 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 1 701 1 26 ALA MB 1 72 LEU QD 3.130 . 3.130 2.096 1.718 2.325 . 0 0 "[ . 1 . 2 . 3 ]" 1 702 1 26 ALA MB 1 72 LEU MD2 3.830 . 3.830 3.884 3.663 3.986 0.156 9 0 "[ . 1 . 2 . 3 ]" 1 703 1 26 ALA MB 1 73 ARG HA 5.110 . 5.110 3.627 3.166 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 704 1 26 ALA MB 1 73 ARG QB 4.490 . 4.490 4.239 2.754 4.594 0.104 5 0 "[ . 1 . 2 . 3 ]" 1 705 1 26 ALA MB 1 73 ARG HE 5.500 . 5.500 3.990 3.473 5.535 0.035 17 0 "[ . 1 . 2 . 3 ]" 1 706 1 26 ALA MB 2 71 PHE QE 5.500 . 5.500 4.746 4.461 5.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 707 1 27 VAL H 1 35 SER HA 5.040 . 5.040 4.437 4.291 4.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 708 1 27 VAL H 1 36 TYR H 4.230 . 4.230 3.124 2.972 3.247 . 0 0 "[ . 1 . 2 . 3 ]" 1 709 1 27 VAL H 1 37 CYS HA 4.600 . 4.600 4.001 3.912 4.144 . 0 0 "[ . 1 . 2 . 3 ]" 1 710 1 27 VAL H 1 38 ASP HA 5.500 . 5.500 4.179 3.805 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 711 1 27 VAL HA 1 28 VAL H 3.500 . 3.500 2.448 2.419 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 712 1 27 VAL HA 1 67 ILE H 5.320 . 5.320 4.977 4.700 5.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 713 1 27 VAL HA 1 68 ALA H 5.500 . 5.500 5.184 5.013 5.355 . 0 0 "[ . 1 . 2 . 3 ]" 1 714 1 27 VAL HA 1 68 ALA HA 3.860 . 3.860 2.816 2.649 3.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 715 1 27 VAL HA 1 68 ALA MB 5.190 . 5.190 4.357 4.226 4.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 716 1 27 VAL HA 1 69 ASN H 3.660 . 3.660 2.350 2.164 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 717 1 27 VAL HA 1 69 ASN HA 5.500 . 5.500 5.047 4.861 5.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 718 1 27 VAL HA 1 69 ASN HB2 4.700 . 4.700 3.608 3.265 4.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 719 1 27 VAL HA 1 69 ASN HB3 4.850 . 4.850 3.891 3.648 4.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 720 1 27 VAL HB 1 28 VAL H 3.730 . 3.730 2.309 2.143 2.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 721 1 27 VAL HB 1 66 LEU HA 4.840 . 4.840 3.905 3.630 4.148 . 0 0 "[ . 1 . 2 . 3 ]" 1 722 1 27 VAL HB 1 67 ILE H 4.410 . 4.410 3.537 3.263 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1 723 1 27 VAL HB 1 68 ALA H 5.500 . 5.500 5.471 5.343 5.544 0.044 23 0 "[ . 1 . 2 . 3 ]" 1 724 1 27 VAL HB 1 68 ALA HA 4.880 . 4.880 4.024 3.775 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 725 1 27 VAL HB 1 69 ASN H 5.080 . 5.080 4.473 4.243 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 726 1 28 VAL H 1 28 VAL HB 3.820 . 3.820 3.408 3.343 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 727 1 28 VAL H 1 35 SER HA 5.500 . 5.500 4.866 4.802 4.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 728 1 28 VAL H 1 66 LEU QD 5.440 . 5.440 4.116 3.896 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 729 1 28 VAL H 1 67 ILE H 4.300 . 4.300 2.917 2.725 3.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 730 1 28 VAL H 1 67 ILE HB 4.370 . 4.370 3.653 3.451 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 731 1 28 VAL H 1 67 ILE MD 4.590 . 4.590 3.487 3.350 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1 732 1 28 VAL H 1 68 ALA H 5.120 . 5.120 4.751 4.667 4.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 733 1 28 VAL H 1 68 ALA HA 4.490 . 4.490 3.801 3.643 4.002 . 0 0 "[ . 1 . 2 . 3 ]" 1 734 1 28 VAL H 1 68 ALA MB 5.410 . 5.410 5.113 5.006 5.245 . 0 0 "[ . 1 . 2 . 3 ]" 1 735 1 28 VAL H 1 69 ASN H 4.700 . 4.700 3.443 3.265 3.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 736 1 28 VAL H 1 69 ASN HB2 4.590 . 4.590 3.622 3.425 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 737 1 28 VAL HA 1 29 ILE H 3.320 . 3.320 2.238 2.207 2.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 738 1 28 VAL HA 1 35 SER HA 3.720 . 3.720 2.458 2.382 2.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 739 1 28 VAL HA 1 36 TYR H 4.200 . 4.200 3.943 3.856 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 740 1 28 VAL HA 1 36 TYR QE 5.150 . 5.150 5.160 5.101 5.198 0.048 28 0 "[ . 1 . 2 . 3 ]" 1 741 1 28 VAL HA 1 67 ILE MD 4.830 . 4.830 4.165 4.094 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1 742 1 28 VAL HB 1 29 ILE H 4.340 . 4.340 2.986 2.847 3.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 743 1 28 VAL HB 1 30 PRO HA 5.500 . 5.500 4.775 4.698 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 744 1 28 VAL HB 1 35 SER HA 5.470 . 5.470 5.134 5.009 5.234 . 0 0 "[ . 1 . 2 . 3 ]" 1 745 1 28 VAL HB 1 67 ILE H 3.990 . 3.990 4.013 3.868 4.052 0.062 31 0 "[ . 1 . 2 . 3 ]" 1 746 1 28 VAL HB 1 67 ILE HB 3.980 . 3.980 3.663 3.388 3.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 747 1 28 VAL HB 1 67 ILE MD 2.830 . 2.830 2.281 2.162 2.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 748 1 28 VAL HB 1 69 ASN HA 5.500 . 5.500 5.533 5.424 5.614 0.114 18 0 "[ . 1 . 2 . 3 ]" 1 749 1 28 VAL HB 1 69 ASN HB2 4.910 . 4.910 4.196 3.999 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 750 1 28 VAL HB 1 69 ASN HD21 5.500 . 5.500 5.154 4.967 5.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 751 1 29 ILE H 1 29 ILE HB 3.850 . 3.850 2.783 2.721 2.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 752 1 29 ILE H 1 29 ILE MD 4.710 . 4.710 4.537 4.489 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 753 1 29 ILE H 1 31 CYS H 5.380 . 5.380 4.860 4.784 4.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 754 1 29 ILE H 1 33 GLY H 4.930 . 4.930 3.839 3.765 3.923 . 0 0 "[ . 1 . 2 . 3 ]" 1 755 1 29 ILE H 1 34 ASN H 5.090 . 5.090 4.019 3.701 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 756 1 29 ILE H 1 35 SER HA 4.230 . 4.230 3.660 3.527 3.789 . 0 0 "[ . 1 . 2 . 3 ]" 1 757 1 29 ILE H 1 36 TYR H 5.500 . 5.500 5.205 5.094 5.341 . 0 0 "[ . 1 . 2 . 3 ]" 1 758 1 29 ILE H 1 36 TYR QE 4.330 . 4.330 4.251 4.162 4.341 0.011 30 0 "[ . 1 . 2 . 3 ]" 1 759 1 29 ILE H 1 66 LEU QD 4.890 . 4.890 4.334 4.102 4.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 760 1 29 ILE H 1 67 ILE MD 3.880 . 3.880 3.944 3.917 3.977 0.097 30 0 "[ . 1 . 2 . 3 ]" 1 761 1 29 ILE HA 1 29 ILE MD 3.910 . 3.910 3.591 3.545 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 762 1 29 ILE HA 1 30 PRO HA 4.750 . 4.750 4.436 4.423 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 763 1 29 ILE HA 1 30 PRO HD3 3.770 . 3.770 2.231 2.187 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 764 1 29 ILE HA 1 30 PRO HG2 4.540 . 4.540 4.295 4.267 4.320 . 0 0 "[ . 1 . 2 . 3 ]" 1 765 1 29 ILE HA 1 30 PRO HG3 4.540 . 4.540 4.317 4.299 4.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 766 1 29 ILE HA 1 31 CYS H 4.300 . 4.300 3.741 3.703 3.774 . 0 0 "[ . 1 . 2 . 3 ]" 1 767 1 29 ILE HA 1 36 TYR QE 5.460 . 5.460 5.175 5.032 5.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 768 1 29 ILE HA 1 66 LEU HA 3.750 . 3.750 3.312 3.187 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1 769 1 29 ILE HA 1 66 LEU QD 3.270 . 3.270 2.655 2.397 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 770 1 29 ILE HA 1 67 ILE H 5.280 . 5.280 3.994 3.869 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1 771 1 29 ILE HA 1 67 ILE MD 4.560 . 4.560 3.380 3.283 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1 772 1 29 ILE HB 1 29 ILE MD 3.580 . 3.580 2.314 2.231 2.350 . 0 0 "[ . 1 . 2 . 3 ]" 1 773 1 29 ILE HB 1 30 PRO HD2 4.880 . 4.880 4.119 4.050 4.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 774 1 29 ILE HB 1 30 PRO HD3 5.050 . 5.050 4.748 4.691 4.790 . 0 0 "[ . 1 . 2 . 3 ]" 1 775 1 29 ILE HB 1 31 CYS H 5.090 . 5.090 4.513 4.481 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 776 1 29 ILE HB 1 34 ASN H 5.500 . 5.500 5.031 4.690 5.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 777 1 29 ILE HB 1 35 SER HA 5.310 . 5.310 4.789 4.647 4.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 778 1 29 ILE HB 1 36 TYR H 5.500 . 5.500 5.373 5.280 5.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 779 1 29 ILE HB 1 36 TYR QE 3.010 . 3.010 2.693 2.528 2.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 780 1 29 ILE HB 1 41 ILE MD 5.050 . 5.050 3.254 3.108 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 781 1 29 ILE HB 1 66 LEU QD 4.210 . 4.210 3.141 2.973 3.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 782 1 29 ILE MD 1 30 PRO HD2 4.230 . 4.230 3.850 3.764 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 783 1 29 ILE MD 1 30 PRO HD3 5.430 . 5.430 5.026 4.958 5.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 784 1 29 ILE MD 1 30 PRO HG2 5.490 . 5.490 5.212 5.074 5.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 785 1 29 ILE MD 1 31 CYS H 4.230 . 4.230 3.909 3.792 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 786 1 29 ILE MD 1 31 CYS HB3 4.330 . 4.330 3.681 3.424 3.924 . 0 0 "[ . 1 . 2 . 3 ]" 1 787 1 29 ILE MD 1 32 CYS H 5.280 . 5.280 4.561 4.407 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 788 1 29 ILE MD 1 33 GLY H 5.240 . 5.240 4.966 4.836 5.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 789 1 29 ILE MD 1 34 ASN H 5.500 . 5.500 5.303 5.081 5.473 . 0 0 "[ . 1 . 2 . 3 ]" 1 790 1 29 ILE MD 1 34 ASN HB2 5.080 . 5.080 4.834 4.517 5.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 791 1 29 ILE MD 1 36 TYR QD 4.640 . 4.640 4.170 3.958 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 792 1 29 ILE MD 1 36 TYR QE 3.450 . 3.450 2.862 2.475 3.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 793 1 29 ILE MD 1 36 TYR HH 5.500 . 5.500 4.962 4.708 5.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 794 1 29 ILE MD 1 41 ILE HA 5.220 . 5.220 4.727 4.641 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1 795 1 29 ILE MD 1 41 ILE MD 2.950 . 2.950 1.805 1.774 1.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 796 1 29 ILE MD 1 45 LEU H 5.500 . 5.500 5.369 5.260 5.502 0.002 16 0 "[ . 1 . 2 . 3 ]" 1 797 1 29 ILE MD 1 45 LEU MD1 3.190 . 3.190 2.448 2.331 2.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 798 1 29 ILE MD 1 45 LEU MD2 3.190 . 3.190 2.453 2.309 2.630 . 0 0 "[ . 1 . 2 . 3 ]" 1 799 1 29 ILE MD 1 53 CYS H 5.500 . 5.500 4.953 4.792 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 800 1 29 ILE MD 1 53 CYS HA 3.770 . 3.770 3.341 3.191 3.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 801 1 29 ILE MD 1 53 CYS HB2 4.270 . 4.270 3.161 2.915 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 802 1 29 ILE MD 1 53 CYS HB3 4.880 . 4.880 4.332 4.093 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1 803 1 29 ILE MD 1 54 PRO HD2 4.230 . 4.230 2.877 2.750 2.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 804 1 29 ILE MD 1 54 PRO HD3 4.500 . 4.500 3.677 3.494 3.821 . 0 0 "[ . 1 . 2 . 3 ]" 1 805 1 29 ILE MD 1 55 THR H 5.500 . 5.500 5.398 5.182 5.513 0.013 9 0 "[ . 1 . 2 . 3 ]" 1 806 1 29 ILE MD 1 56 CYS H 5.500 . 5.500 5.238 5.029 5.329 . 0 0 "[ . 1 . 2 . 3 ]" 1 807 1 29 ILE MD 1 58 GLN HB2 5.500 . 5.500 4.659 4.280 4.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 808 1 29 ILE MD 1 61 VAL H 5.500 . 5.500 5.373 5.227 5.511 0.011 16 0 "[ . 1 . 2 . 3 ]" 1 809 1 29 ILE MD 1 61 VAL HB 4.010 . 4.010 3.037 2.877 3.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 810 1 29 ILE MD 1 62 SER H 5.500 . 5.500 4.053 3.792 4.314 . 0 0 "[ . 1 . 2 . 3 ]" 1 811 1 29 ILE MD 1 66 LEU HA 5.480 . 5.480 5.341 5.170 5.504 0.024 3 0 "[ . 1 . 2 . 3 ]" 1 812 1 29 ILE MD 1 66 LEU QD 3.050 . 3.050 2.839 2.588 3.059 0.009 16 0 "[ . 1 . 2 . 3 ]" 1 813 1 30 PRO HA 1 32 CYS H 5.090 . 5.090 4.044 3.922 4.187 . 0 0 "[ . 1 . 2 . 3 ]" 1 814 1 30 PRO HA 1 33 GLY H 4.640 . 4.640 4.661 4.548 4.701 0.061 6 0 "[ . 1 . 2 . 3 ]" 1 815 1 30 PRO HA 1 65 ALA MB 5.500 . 5.500 5.540 5.466 5.578 0.078 11 0 "[ . 1 . 2 . 3 ]" 1 816 1 30 PRO HA 1 67 ILE MD 3.580 . 3.580 3.053 2.857 3.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 817 1 30 PRO HA 2 67 ILE MD 4.060 . 4.060 2.545 2.332 2.874 . 0 0 "[ . 1 . 2 . 3 ]" 1 818 1 30 PRO HA 2 68 ALA H 5.500 . 5.500 5.551 5.508 5.584 0.084 16 0 "[ . 1 . 2 . 3 ]" 1 819 1 30 PRO HB2 1 31 CYS H 4.420 . 4.420 4.056 4.003 4.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 820 1 30 PRO HB2 1 67 ILE MD 4.580 . 4.580 3.846 3.668 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 821 1 30 PRO HB3 1 31 CYS H 4.580 . 4.580 4.564 4.551 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1 822 1 30 PRO HB3 1 67 ILE MD 3.340 . 3.340 2.255 2.084 2.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 823 1 30 PRO HD2 1 31 CYS H 4.240 . 4.240 3.163 3.111 3.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 824 1 30 PRO HD2 1 65 ALA MB 4.220 . 4.220 3.243 3.133 3.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 825 1 30 PRO HD2 1 66 LEU QD 3.660 . 3.660 3.189 3.009 3.348 . 0 0 "[ . 1 . 2 . 3 ]" 1 826 1 30 PRO HD2 1 67 ILE MD 4.890 . 4.890 3.771 3.620 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 827 1 30 PRO HD3 1 31 CYS H 4.140 . 4.140 4.161 4.136 4.185 0.045 17 0 "[ . 1 . 2 . 3 ]" 1 828 1 30 PRO HD3 1 65 ALA HA 5.500 . 5.500 5.125 4.978 5.225 . 0 0 "[ . 1 . 2 . 3 ]" 1 829 1 30 PRO HD3 1 65 ALA MB 4.200 . 4.200 3.481 3.401 3.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 830 1 30 PRO HD3 1 66 LEU H 5.010 . 5.010 4.919 4.754 5.041 0.031 14 0 "[ . 1 . 2 . 3 ]" 1 831 1 30 PRO HD3 1 66 LEU HA 5.100 . 5.100 2.978 2.741 3.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 832 1 30 PRO HD3 1 67 ILE H 4.900 . 4.900 3.362 3.136 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 833 1 30 PRO HD3 1 67 ILE MD 3.500 . 3.500 2.337 2.164 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 834 1 30 PRO HG2 1 31 CYS H 3.730 . 3.730 3.525 3.471 3.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 835 1 30 PRO HG2 1 61 VAL HA 4.520 . 4.520 4.316 3.992 4.525 0.005 4 0 "[ . 1 . 2 . 3 ]" 1 836 1 30 PRO HG2 1 62 SER H 5.500 . 5.500 4.640 4.480 4.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 837 1 30 PRO HG2 1 65 ALA MB 3.490 . 3.490 2.731 2.641 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 838 1 30 PRO HG3 1 31 CYS H 4.740 . 4.740 4.764 4.721 4.805 0.065 20 0 "[ . 1 . 2 . 3 ]" 1 839 1 30 PRO HG3 1 65 ALA HA 4.970 . 4.970 4.044 3.908 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 840 1 30 PRO HG3 1 65 ALA MB 3.490 . 3.490 2.071 2.014 2.121 . 0 0 "[ . 1 . 2 . 3 ]" 1 841 1 30 PRO HG3 1 67 ILE H 5.500 . 5.500 4.966 4.700 5.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 842 1 30 PRO HG3 1 67 ILE MD 4.280 . 4.280 3.179 2.950 3.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 843 1 31 CYS H 1 31 CYS HB2 3.710 . 3.710 3.645 3.620 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 844 1 31 CYS H 1 31 CYS HB3 3.710 . 3.710 2.658 2.558 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 845 1 31 CYS H 1 32 CYS H 3.590 . 3.590 2.223 2.154 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 846 1 31 CYS H 1 32 CYS HA 5.420 . 5.420 4.901 4.837 4.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 847 1 31 CYS H 1 33 GLY H 4.270 . 4.270 3.734 3.599 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 848 1 31 CYS H 1 58 GLN HG3 5.290 . 5.290 5.337 5.262 5.385 0.095 24 0 "[ . 1 . 2 . 3 ]" 1 849 1 31 CYS H 1 66 LEU QD 5.440 . 5.440 5.345 5.168 5.450 0.010 12 0 "[ . 1 . 2 . 3 ]" 1 850 1 31 CYS H 1 67 ILE MD 4.980 . 4.980 4.944 4.754 5.060 0.080 19 0 "[ . 1 . 2 . 3 ]" 1 851 1 31 CYS HA 1 32 CYS HA 4.700 . 4.700 4.498 4.486 4.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 852 1 31 CYS HA 1 58 GLN HB3 5.500 . 5.500 5.226 4.923 5.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 853 1 31 CYS HA 1 58 GLN HE21 4.740 . 4.740 4.177 3.479 4.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 854 1 31 CYS HA 1 58 GLN HE22 5.500 . 5.500 4.902 4.143 5.517 0.017 1 0 "[ . 1 . 2 . 3 ]" 1 855 1 31 CYS HA 1 58 GLN HG3 4.040 . 4.040 3.688 3.357 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1 856 1 31 CYS HB2 1 32 CYS H 4.400 . 4.400 4.000 3.862 4.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 857 1 31 CYS HB2 1 58 GLN H 5.310 . 5.310 4.918 4.518 5.177 . 0 0 "[ . 1 . 2 . 3 ]" 1 858 1 31 CYS HB2 1 58 GLN HB2 4.080 . 4.080 2.895 2.475 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 859 1 31 CYS HB2 1 58 GLN HB3 4.050 . 4.050 2.984 2.683 3.184 . 0 0 "[ . 1 . 2 . 3 ]" 1 860 1 31 CYS HB2 1 58 GLN HE21 4.030 . 4.030 2.623 1.918 3.088 . 0 0 "[ . 1 . 2 . 3 ]" 1 861 1 31 CYS HB2 1 58 GLN HE22 5.440 . 5.440 3.955 3.374 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 862 1 31 CYS HB2 1 58 GLN HG3 3.660 . 3.660 1.878 1.770 1.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 863 1 31 CYS HB2 1 60 ASP H 5.280 . 5.280 4.773 4.431 5.183 . 0 0 "[ . 1 . 2 . 3 ]" 1 864 1 31 CYS HB2 1 61 VAL H 5.430 . 5.430 5.499 5.461 5.591 0.161 27 0 "[ . 1 . 2 . 3 ]" 1 865 1 31 CYS HB2 1 61 VAL HB 5.500 . 5.500 5.348 5.156 5.514 0.014 10 0 "[ . 1 . 2 . 3 ]" 1 866 1 31 CYS HB3 1 32 CYS H 4.380 . 4.380 3.960 3.871 4.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 867 1 31 CYS HB3 1 53 CYS HB2 4.650 . 4.650 4.428 4.173 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 868 1 31 CYS HB3 1 58 GLN HB2 4.260 . 4.260 4.041 3.728 4.317 0.057 27 0 "[ . 1 . 2 . 3 ]" 1 869 1 31 CYS HB3 1 58 GLN HB3 4.650 . 4.650 3.863 3.482 4.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 870 1 31 CYS HB3 1 58 GLN HE21 4.410 . 4.410 3.312 2.751 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 871 1 31 CYS HB3 1 58 GLN HG3 3.880 . 3.880 3.578 3.291 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1 872 1 31 CYS HB3 1 61 VAL HB 4.990 . 4.990 4.219 4.073 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 873 1 32 CYS H 1 32 CYS HB3 4.130 . 4.130 3.358 3.241 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 874 1 32 CYS H 1 33 GLY H 3.410 . 3.410 2.025 1.955 2.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 875 1 32 CYS H 1 33 GLY HA2 4.270 . 4.270 3.937 3.888 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 876 1 32 CYS H 1 33 GLY HA3 4.810 . 4.810 4.482 4.440 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 877 1 32 CYS H 1 34 ASN H 4.490 . 4.490 3.877 3.734 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1 878 1 32 CYS HA 1 56 CYS HB2 5.500 . 5.500 5.269 5.141 5.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 879 1 32 CYS HA 1 56 CYS HB3 5.500 . 5.500 4.826 4.722 4.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 880 1 32 CYS HA 2 68 ALA MB 5.050 . 5.050 4.260 4.081 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 881 1 32 CYS HB2 1 33 GLY H 4.560 . 4.560 3.494 3.401 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 882 1 32 CYS HB2 1 34 ASN H 5.190 . 5.190 3.599 3.425 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 883 1 32 CYS HB2 1 34 ASN HD21 4.800 . 4.800 2.762 2.631 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 884 1 32 CYS HB2 1 34 ASN HD22 4.800 . 4.800 3.257 3.027 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1 885 1 32 CYS HB2 1 56 CYS HA 5.500 . 5.500 5.554 5.503 5.592 0.092 28 0 "[ . 1 . 2 . 3 ]" 1 886 1 32 CYS HB2 1 56 CYS HB2 4.310 . 4.310 4.359 4.317 4.398 0.088 17 0 "[ . 1 . 2 . 3 ]" 1 887 1 32 CYS HB2 1 56 CYS HB3 4.310 . 4.310 3.183 3.140 3.221 . 0 0 "[ . 1 . 2 . 3 ]" 1 888 1 32 CYS HB3 1 33 GLY H 4.560 . 4.560 3.900 3.855 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 889 1 32 CYS HB3 1 34 ASN H 5.190 . 5.190 4.535 4.471 4.642 . 0 0 "[ . 1 . 2 . 3 ]" 1 890 1 32 CYS HB3 1 34 ASN HD21 4.800 . 4.800 3.744 3.633 3.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 891 1 32 CYS HB3 1 34 ASN HD22 5.500 . 5.500 4.577 4.387 4.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 892 1 32 CYS HB3 1 56 CYS HA 5.420 . 5.420 5.028 4.917 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 893 1 32 CYS HB3 1 56 CYS HB2 4.110 . 4.110 3.352 3.216 3.448 . 0 0 "[ . 1 . 2 . 3 ]" 1 894 1 32 CYS HB3 1 56 CYS HB3 4.110 . 4.110 2.635 2.522 2.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 895 1 33 GLY H 1 34 ASN H 3.750 . 3.750 2.015 1.923 2.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 896 1 33 GLY H 1 34 ASN HB2 4.910 . 4.910 4.041 3.889 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 897 1 33 GLY HA2 2 67 ILE HB 5.500 . 5.500 2.964 2.794 3.079 . 0 0 "[ . 1 . 2 . 3 ]" 1 898 1 33 GLY HA2 2 67 ILE MD 4.230 . 4.230 3.775 3.620 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 899 1 33 GLY HA2 2 68 ALA MB 5.170 . 5.170 4.680 4.550 4.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 900 1 33 GLY HA3 2 67 ILE HB 5.500 . 5.500 3.504 3.367 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 901 1 33 GLY HA3 2 67 ILE MD 4.970 . 4.970 4.830 4.646 5.010 0.040 15 0 "[ . 1 . 2 . 3 ]" 1 902 1 33 GLY HA3 2 68 ALA MB 4.900 . 4.900 3.283 3.145 3.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 903 1 33 GLY HA3 2 70 LYS HG2 5.130 . 5.130 4.712 4.149 4.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 904 1 33 GLY HA3 2 70 LYS HG3 5.500 . 5.500 3.768 3.566 4.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 905 1 34 ASN H 1 34 ASN HB2 3.730 . 3.730 2.373 2.244 2.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 906 1 34 ASN H 1 34 ASN HB3 3.730 . 3.730 3.586 3.531 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 907 1 34 ASN H 1 34 ASN HD21 4.580 . 4.580 2.399 2.284 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 908 1 34 ASN H 1 34 ASN HD22 4.580 . 4.580 3.700 3.504 4.051 . 0 0 "[ . 1 . 2 . 3 ]" 1 909 1 34 ASN H 1 36 TYR QE 5.150 . 5.150 4.619 4.491 4.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 910 1 34 ASN H 1 55 THR MG 5.070 . 5.070 3.645 3.591 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 911 1 34 ASN H 2 70 LYS HD2 5.500 . 5.500 5.311 4.603 5.583 0.083 7 0 "[ . 1 . 2 . 3 ]" 1 912 1 34 ASN H 2 70 LYS HG2 5.500 . 5.500 5.486 4.962 5.578 0.078 21 0 "[ . 1 . 2 . 3 ]" 1 913 1 34 ASN H 2 70 LYS HG3 5.500 . 5.500 3.966 3.588 4.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 914 1 34 ASN HA 1 55 THR MG 5.330 . 5.330 4.775 4.611 4.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 915 1 34 ASN HA 2 70 LYS QB 5.410 . 5.410 3.319 2.690 5.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 916 1 34 ASN HA 2 71 PHE QD 5.150 . 5.150 3.341 2.869 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 917 1 34 ASN HA 2 71 PHE QE 5.500 . 5.500 2.980 2.187 3.873 . 0 0 "[ . 1 . 2 . 3 ]" 1 918 1 34 ASN HB2 1 35 SER HA 5.500 . 5.500 4.951 4.900 5.096 . 0 0 "[ . 1 . 2 . 3 ]" 1 919 1 34 ASN HB2 1 36 TYR QE 4.120 . 4.120 3.168 3.115 3.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 920 1 34 ASN HB2 1 55 THR MG 4.040 . 4.040 2.317 2.230 2.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 921 1 34 ASN HB3 1 36 TYR QE 4.120 . 4.120 3.073 2.982 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 922 1 34 ASN HB3 1 55 THR MG 4.220 . 4.220 3.392 3.193 3.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 923 1 34 ASN HD21 1 36 TYR QE 5.210 . 5.210 4.698 4.625 4.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 924 1 34 ASN HD21 1 55 THR MG 3.550 . 3.550 1.975 1.902 2.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 925 1 34 ASN HD22 1 36 TYR QE 5.500 . 5.500 5.492 5.391 5.562 0.062 7 0 "[ . 1 . 2 . 3 ]" 1 926 1 34 ASN HD22 1 55 THR MG 3.690 . 3.690 2.761 2.630 2.870 . 0 0 "[ . 1 . 2 . 3 ]" 1 927 1 34 ASN HD22 2 70 LYS HD2 5.380 . 5.380 2.866 2.480 3.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 928 1 34 ASN HD22 2 70 LYS HD3 5.380 . 5.380 2.238 1.820 3.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 929 1 34 ASN HD22 2 70 LYS QE 4.730 . 4.730 3.895 3.264 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 930 1 35 SER H 2 70 LYS HG3 5.500 . 5.500 5.539 5.139 5.608 0.108 4 0 "[ . 1 . 2 . 3 ]" 1 931 1 35 SER HA 1 36 TYR H 3.440 . 3.440 2.181 2.162 2.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 932 1 35 SER HA 1 36 TYR QD 4.410 . 4.410 3.638 3.511 3.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 933 1 35 SER HA 1 36 TYR QE 4.850 . 4.850 4.283 4.239 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 934 1 35 SER HA 1 41 ILE HB 5.500 . 5.500 5.566 5.529 5.590 0.090 4 0 "[ . 1 . 2 . 3 ]" 1 935 1 35 SER HA 1 69 ASN HB2 5.500 . 5.500 4.981 4.805 5.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 936 1 35 SER HA 1 72 LEU HG 5.500 . 5.500 4.672 4.460 4.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 937 1 35 SER HB2 1 36 TYR H 4.590 . 4.590 3.855 3.779 3.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 938 1 35 SER HB2 1 72 LEU MD1 5.360 . 5.360 3.124 2.798 3.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 939 1 35 SER HB2 1 72 LEU MD2 5.360 . 5.360 2.878 2.705 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 940 1 35 SER HB3 1 36 TYR H 4.590 . 4.590 3.100 3.050 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 941 1 35 SER HB3 1 72 LEU MD1 5.360 . 5.360 3.695 3.411 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 942 1 35 SER HB3 1 72 LEU MD2 5.360 . 5.360 3.749 3.573 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 943 1 36 TYR H 1 36 TYR QD 4.100 . 4.100 2.756 2.700 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 944 1 36 TYR H 1 36 TYR QE 4.460 . 4.460 4.493 4.457 4.529 0.069 22 0 "[ . 1 . 2 . 3 ]" 1 945 1 36 TYR H 1 37 CYS H 4.550 . 4.550 4.387 4.374 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1 946 1 36 TYR H 1 37 CYS HA 5.150 . 5.150 5.048 5.004 5.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 947 1 36 TYR H 1 41 ILE HB 5.070 . 5.070 4.080 4.035 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 948 1 36 TYR H 1 72 LEU QD 5.440 . 5.440 5.070 4.779 5.235 . 0 0 "[ . 1 . 2 . 3 ]" 1 949 1 36 TYR HA 1 36 TYR QD 4.070 . 4.070 3.312 3.219 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1 950 1 36 TYR HA 1 37 CYS H 3.400 . 3.400 2.511 2.489 2.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 951 1 36 TYR HA 1 41 ILE HB 5.200 . 5.200 5.061 4.954 5.177 . 0 0 "[ . 1 . 2 . 3 ]" 1 952 1 36 TYR HB2 1 37 CYS H 4.030 . 4.030 2.790 2.715 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 953 1 36 TYR HB2 1 40 CYS QB 4.840 . 4.840 3.075 2.941 3.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 954 1 36 TYR HB2 1 41 ILE H 5.090 . 5.090 3.070 2.934 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 955 1 36 TYR HB2 1 41 ILE HB 4.770 . 4.770 2.309 2.088 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 956 1 36 TYR HB2 1 41 ILE MD 4.400 . 4.400 3.725 3.587 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 957 1 36 TYR HB3 1 37 CYS H 4.030 . 4.030 2.486 2.375 2.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 958 1 36 TYR HB3 1 41 ILE H 5.320 . 5.320 4.381 4.035 4.612 . 0 0 "[ . 1 . 2 . 3 ]" 1 959 1 36 TYR HB3 1 41 ILE HB 4.770 . 4.770 3.960 3.657 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 960 1 36 TYR HB3 1 41 ILE MD 5.170 . 5.170 4.662 4.480 4.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 961 1 36 TYR QD 1 37 CYS H 4.780 . 4.780 4.333 4.255 4.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 962 1 36 TYR QD 1 40 CYS QB 4.950 . 4.950 4.464 4.324 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1 963 1 36 TYR QD 1 41 ILE HA 5.240 . 5.240 4.098 4.026 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 964 1 36 TYR QD 1 41 ILE HB 3.740 . 3.740 2.160 2.062 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 965 1 36 TYR QD 1 41 ILE MD 4.170 . 4.170 2.617 2.522 2.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 966 1 36 TYR QD 1 45 LEU QD 5.440 . 5.440 5.490 5.451 5.530 0.090 30 0 "[ . 1 . 2 . 3 ]" 1 967 1 36 TYR QE 1 41 ILE HB 4.780 . 4.780 4.025 3.939 4.147 . 0 0 "[ . 1 . 2 . 3 ]" 1 968 1 36 TYR QE 1 41 ILE MD 3.960 . 3.960 2.506 2.404 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1 969 1 36 TYR QE 1 44 ALA MB 5.500 . 5.500 5.446 5.370 5.522 0.022 32 0 "[ . 1 . 2 . 3 ]" 1 970 1 36 TYR QE 1 54 PRO HG2 5.340 . 5.340 3.405 3.257 3.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 971 1 36 TYR QE 1 54 PRO HG3 5.500 . 5.500 4.440 4.343 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 972 1 36 TYR QE 1 55 THR H 5.500 . 5.500 5.427 5.318 5.516 0.016 8 0 "[ . 1 . 2 . 3 ]" 1 973 1 36 TYR QE 1 55 THR HA 5.500 . 5.500 4.818 4.737 4.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 974 1 36 TYR QE 1 55 THR HB 5.290 . 5.290 2.837 2.775 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 975 1 36 TYR QE 1 55 THR MG 4.080 . 4.080 3.415 3.389 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 976 1 36 TYR QE 1 56 CYS H 5.500 . 5.500 5.700 5.650 5.722 0.222 9 0 "[ . 1 . 2 . 3 ]" 1 977 1 36 TYR QE 1 66 LEU QD 4.610 . 4.610 4.568 4.401 4.637 0.027 8 0 "[ . 1 . 2 . 3 ]" 1 978 1 36 TYR HH 1 54 PRO HD2 5.260 . 5.260 4.523 4.347 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 979 1 36 TYR HH 1 54 PRO HG2 5.020 . 5.020 3.750 3.560 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 980 1 36 TYR HH 1 54 PRO HG3 5.500 . 5.500 5.486 5.274 5.524 0.024 32 0 "[ . 1 . 2 . 3 ]" 1 981 1 36 TYR HH 1 55 THR H 5.140 . 5.140 4.622 4.484 4.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 982 1 36 TYR HH 1 55 THR HB 4.500 . 4.500 1.701 1.631 1.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 983 1 36 TYR HH 1 55 THR MG 3.060 . 3.060 1.885 1.835 1.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 984 1 36 TYR HH 1 56 CYS H 4.510 . 4.510 4.549 4.502 4.570 0.060 9 0 "[ . 1 . 2 . 3 ]" 1 985 1 37 CYS H 1 37 CYS HB2 4.200 . 4.200 2.814 2.724 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 986 1 37 CYS H 1 37 CYS HB3 4.020 . 4.020 3.534 3.461 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 987 1 37 CYS H 1 40 CYS H 4.910 . 4.910 4.382 4.302 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 988 1 37 CYS H 1 40 CYS HB2 4.380 . 4.380 2.863 2.784 2.940 . 0 0 "[ . 1 . 2 . 3 ]" 1 989 1 37 CYS H 1 40 CYS QB 4.110 . 4.110 2.814 2.723 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 990 1 37 CYS H 1 41 ILE H 4.530 . 4.530 4.214 4.154 4.323 . 0 0 "[ . 1 . 2 . 3 ]" 1 991 1 37 CYS H 1 41 ILE HB 5.500 . 5.500 4.804 4.715 4.885 . 0 0 "[ . 1 . 2 . 3 ]" 1 992 1 37 CYS HA 1 38 ASP H 3.280 . 3.280 2.242 2.216 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 993 1 37 CYS HA 1 40 CYS H 4.910 . 4.910 4.379 4.315 4.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 994 1 37 CYS HB2 1 38 ASP H 4.470 . 4.470 3.773 3.683 3.873 . 0 0 "[ . 1 . 2 . 3 ]" 1 995 1 37 CYS HB2 1 39 GLU H 3.990 . 3.990 3.357 3.157 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 996 1 37 CYS HB2 1 39 GLU HG2 5.500 . 5.500 3.027 2.467 3.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 997 1 37 CYS HB2 1 40 CYS H 3.560 . 3.560 1.974 1.882 2.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 998 1 37 CYS HB2 1 40 CYS HA 4.220 . 4.220 4.035 3.990 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 999 1 37 CYS HB2 1 40 CYS QB 4.260 . 4.260 2.047 1.960 2.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 1000 1 37 CYS HB2 1 41 ILE H 4.600 . 4.600 3.602 3.562 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 1001 1 37 CYS HB2 1 42 ARG H 5.500 . 5.500 5.561 5.528 5.618 0.118 8 0 "[ . 1 . 2 . 3 ]" 1 1002 1 37 CYS HB3 1 38 ASP H 4.090 . 4.090 3.072 2.946 3.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 1003 1 37 CYS HB3 1 39 GLU H 3.990 . 3.990 3.185 3.007 3.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 1004 1 37 CYS HB3 1 39 GLU HG2 4.850 . 4.850 2.643 2.280 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 1005 1 37 CYS HB3 1 40 CYS H 3.560 . 3.560 3.160 3.035 3.370 . 0 0 "[ . 1 . 2 . 3 ]" 1 1006 1 37 CYS HB3 1 40 CYS QB 4.280 . 4.280 3.716 3.571 3.870 . 0 0 "[ . 1 . 2 . 3 ]" 1 1007 1 37 CYS HB3 1 41 ILE H 5.370 . 5.370 5.035 4.955 5.234 . 0 0 "[ . 1 . 2 . 3 ]" 1 1008 1 38 ASP H 1 38 ASP HB2 3.710 . 3.710 2.482 2.362 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 1009 1 38 ASP H 1 38 ASP QB 3.210 . 3.210 2.266 2.233 2.301 . 0 0 "[ . 1 . 2 . 3 ]" 1 1010 1 38 ASP H 1 38 ASP HB3 3.710 . 3.710 2.633 2.485 2.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 1011 1 38 ASP H 1 39 GLU H 3.890 . 3.890 2.718 2.649 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1012 1 38 ASP H 1 39 GLU HA 5.500 . 5.500 5.328 5.272 5.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 1013 1 38 ASP H 1 39 GLU HB3 5.460 . 5.460 5.353 5.167 5.484 0.024 13 0 "[ . 1 . 2 . 3 ]" 1 1014 1 38 ASP H 1 39 GLU HG2 4.440 . 4.440 3.804 3.558 4.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 1015 1 38 ASP H 1 40 CYS H 4.450 . 4.450 4.176 4.046 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 1016 1 38 ASP H 1 40 CYS HB2 5.270 . 5.270 5.133 5.033 5.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 1017 1 38 ASP HA 1 39 GLU HA 5.070 . 5.070 4.735 4.704 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 1018 1 38 ASP HA 1 40 CYS H 5.500 . 5.500 4.548 4.364 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 1019 1 38 ASP HA 1 41 ILE H 4.480 . 4.480 3.973 3.839 4.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 1020 1 38 ASP HA 1 42 ARG H 4.300 . 4.300 4.017 3.899 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 1021 1 38 ASP HA 1 66 LEU QD 4.190 . 4.190 3.144 2.981 3.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 1022 1 38 ASP QB 1 39 GLU H 3.440 . 3.440 2.604 2.518 2.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 1023 1 38 ASP QB 1 39 GLU HA 4.890 . 4.890 4.124 4.031 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 1024 1 38 ASP HB2 1 39 GLU H 4.020 . 4.020 3.864 3.781 3.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 1025 1 38 ASP HB3 1 39 GLU H 4.020 . 4.020 2.647 2.551 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1026 1 39 GLU H 1 39 GLU HB2 3.670 . 3.670 3.572 3.496 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 1027 1 39 GLU H 1 39 GLU HB3 2.900 . 2.900 2.771 2.636 2.908 0.008 18 0 "[ . 1 . 2 . 3 ]" 1 1028 1 39 GLU H 1 39 GLU HG2 3.670 . 3.670 1.825 1.674 2.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 1029 1 39 GLU H 1 39 GLU HG3 3.720 . 3.720 3.046 2.525 3.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 1030 1 39 GLU H 1 40 CYS H 3.810 . 3.810 2.567 2.519 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 1031 1 39 GLU H 1 41 ILE H 4.850 . 4.850 4.393 4.318 4.458 . 0 0 "[ . 1 . 2 . 3 ]" 1 1032 1 39 GLU HA 1 39 GLU HG2 4.210 . 4.210 3.647 3.542 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 1033 1 39 GLU HA 1 39 GLU HG3 4.210 . 4.210 3.858 3.694 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 1034 1 39 GLU HA 1 42 ARG H 3.960 . 3.960 3.677 3.564 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 1035 1 39 GLU HA 1 42 ARG HA 5.500 . 5.500 5.415 5.278 5.505 0.005 28 0 "[ . 1 . 2 . 3 ]" 1 1036 1 39 GLU HA 1 42 ARG HB2 4.660 . 4.660 2.819 2.692 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 1037 1 39 GLU HA 1 42 ARG HB3 3.840 . 3.840 3.190 2.998 3.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 1038 1 39 GLU HA 1 42 ARG HD2 4.630 . 4.630 3.280 3.095 3.351 . 0 0 "[ . 1 . 2 . 3 ]" 1 1039 1 39 GLU HA 1 42 ARG HD3 5.060 . 5.060 5.029 4.848 5.080 0.020 23 0 "[ . 1 . 2 . 3 ]" 1 1040 1 39 GLU HA 1 42 ARG HG2 5.450 . 5.450 5.054 4.870 5.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 1041 1 39 GLU HA 1 42 ARG HG3 5.190 . 5.190 5.199 5.057 5.280 0.090 16 0 "[ . 1 . 2 . 3 ]" 1 1042 1 39 GLU HA 1 43 THR H 4.130 . 4.130 3.979 3.876 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 1043 1 39 GLU HB2 1 39 GLU HG3 2.770 . 2.770 2.382 2.221 2.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 1044 1 39 GLU HB2 1 40 CYS H 3.930 . 3.930 3.558 3.323 3.731 . 0 0 "[ . 1 . 2 . 3 ]" 1 1045 1 39 GLU HB2 1 40 CYS HA 4.700 . 4.700 4.270 4.088 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 1046 1 39 GLU HB2 1 43 THR H 5.050 . 5.050 4.977 4.849 5.068 0.018 3 0 "[ . 1 . 2 . 3 ]" 1 1047 1 39 GLU HB3 1 40 CYS H 4.130 . 4.130 4.002 3.923 4.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 1048 1 39 GLU HB3 1 40 CYS HA 5.500 . 5.500 5.580 5.545 5.603 0.103 13 0 "[ . 1 . 2 . 3 ]" 1 1049 1 39 GLU HG2 1 40 CYS H 4.280 . 4.280 2.611 1.978 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1 1050 1 39 GLU HG2 1 41 ILE H 5.500 . 5.500 5.216 4.644 5.533 0.033 12 0 "[ . 1 . 2 . 3 ]" 1 1051 1 39 GLU HG3 1 40 CYS H 4.280 . 4.280 2.297 1.898 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1 1052 1 39 GLU HG3 1 40 CYS HA 5.040 . 5.040 3.669 3.267 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 1053 1 39 GLU HG3 1 41 ILE H 5.500 . 5.500 5.074 4.711 5.551 0.051 24 0 "[ . 1 . 2 . 3 ]" 1 1054 1 40 CYS H 1 40 CYS HB2 3.580 . 3.580 2.360 2.200 2.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 1055 1 40 CYS H 1 40 CYS QB 3.550 . 3.550 2.328 2.178 2.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 1056 1 40 CYS H 1 41 ILE H 3.770 . 3.770 2.804 2.719 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1057 1 40 CYS H 1 42 ARG H 4.400 . 4.400 3.994 3.911 4.047 . 0 0 "[ . 1 . 2 . 3 ]" 1 1058 1 40 CYS H 1 42 ARG HB2 4.930 . 4.930 4.919 4.855 4.953 0.023 4 0 "[ . 1 . 2 . 3 ]" 1 1059 1 40 CYS HA 1 42 ARG H 4.790 . 4.790 4.436 4.372 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 1060 1 40 CYS HA 1 43 THR HB 4.040 . 4.040 3.077 2.931 3.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 1061 1 40 CYS HA 1 43 THR MG 4.710 . 4.710 4.305 4.165 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 1062 1 40 CYS HA 1 44 ALA H 4.810 . 4.810 4.417 4.315 4.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 1063 1 40 CYS QB 1 41 ILE H 3.780 . 3.780 2.337 2.295 2.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 1064 1 40 CYS QB 1 41 ILE HA 5.030 . 5.030 3.770 3.710 3.793 . 0 0 "[ . 1 . 2 . 3 ]" 1 1065 1 40 CYS QB 1 41 ILE HB 5.270 . 5.270 3.937 3.891 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 1066 1 40 CYS QB 1 41 ILE MD 5.230 . 5.230 4.649 4.607 4.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 1067 1 40 CYS QB 1 42 ARG H 4.630 . 4.630 4.461 4.408 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 1068 1 40 CYS HB2 1 42 ARG H 5.500 . 5.500 4.791 4.714 4.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 1069 1 41 ILE H 1 41 ILE HB 4.210 . 4.210 2.544 2.515 2.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 1070 1 41 ILE H 1 41 ILE MD 4.140 . 4.140 4.044 3.997 4.084 . 0 0 "[ . 1 . 2 . 3 ]" 1 1071 1 41 ILE H 1 42 ARG H 3.720 . 3.720 2.657 2.627 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 1072 1 41 ILE H 1 42 ARG HB2 5.500 . 5.500 4.506 4.466 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 1073 1 41 ILE H 1 44 ALA MB 5.210 . 5.210 4.883 4.757 4.992 . 0 0 "[ . 1 . 2 . 3 ]" 1 1074 1 41 ILE H 1 66 LEU MD1 5.500 . 5.500 4.775 4.670 4.916 . 0 0 "[ . 1 . 2 . 3 ]" 1 1075 1 41 ILE H 1 66 LEU QD 4.780 . 4.780 4.476 4.389 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 1076 1 41 ILE H 1 66 LEU MD2 5.500 . 5.500 5.409 5.280 5.511 0.011 24 0 "[ . 1 . 2 . 3 ]" 1 1077 1 41 ILE HA 1 41 ILE MD 3.030 . 3.030 1.986 1.885 2.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 1078 1 41 ILE HA 1 44 ALA H 3.960 . 3.960 3.376 3.313 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 1079 1 41 ILE HA 1 44 ALA MB 3.200 . 3.200 2.729 2.620 2.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 1080 1 41 ILE HA 1 54 PRO HG2 5.490 . 5.490 4.307 4.213 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 1081 1 41 ILE HA 1 54 PRO HG3 4.320 . 4.320 3.068 2.974 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1 1082 1 41 ILE HB 1 41 ILE MD 2.890 . 2.890 2.441 2.409 2.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 1083 1 41 ILE HB 1 42 ARG H 5.300 . 5.300 3.983 3.956 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 1084 1 41 ILE HB 1 44 ALA MB 5.480 . 5.480 4.730 4.640 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 1085 1 41 ILE HB 1 54 PRO HG2 5.500 . 5.500 5.038 4.930 5.127 . 0 0 "[ . 1 . 2 . 3 ]" 1 1086 1 41 ILE MD 1 42 ARG HA 4.750 . 4.750 4.749 4.702 4.782 0.032 14 0 "[ . 1 . 2 . 3 ]" 1 1087 1 41 ILE MD 1 44 ALA H 4.540 . 4.540 4.077 3.976 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 1088 1 41 ILE MD 1 44 ALA MB 3.020 . 3.020 2.375 2.282 2.458 . 0 0 "[ . 1 . 2 . 3 ]" 1 1089 1 41 ILE MD 1 45 LEU H 4.580 . 4.580 3.800 3.677 3.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 1090 1 41 ILE MD 1 45 LEU HB2 5.470 . 5.470 4.926 4.833 5.078 . 0 0 "[ . 1 . 2 . 3 ]" 1 1091 1 41 ILE MD 1 45 LEU MD1 3.470 . 3.470 3.050 2.912 3.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 1092 1 41 ILE MD 1 45 LEU MD2 3.470 . 3.470 3.270 3.085 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1 1093 1 41 ILE MD 1 45 LEU HG 4.000 . 4.000 2.935 2.832 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 1094 1 41 ILE MD 1 53 CYS HA 3.820 . 3.820 3.708 3.617 3.779 . 0 0 "[ . 1 . 2 . 3 ]" 1 1095 1 41 ILE MD 1 53 CYS HB2 5.100 . 5.100 4.811 4.706 4.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 1096 1 41 ILE MD 1 54 PRO HA 5.500 . 5.500 5.288 5.251 5.370 . 0 0 "[ . 1 . 2 . 3 ]" 1 1097 1 41 ILE MD 1 54 PRO HB2 5.500 . 5.500 4.284 4.231 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 1098 1 41 ILE MD 1 54 PRO HB3 4.980 . 4.980 4.095 4.027 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 1099 1 41 ILE MD 1 54 PRO HD2 3.610 . 3.610 2.521 2.464 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 1100 1 41 ILE MD 1 54 PRO HD3 3.610 . 3.610 2.652 2.560 2.757 . 0 0 "[ . 1 . 2 . 3 ]" 1 1101 1 41 ILE MD 1 54 PRO HG2 3.960 . 3.960 2.659 2.579 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 1102 1 41 ILE MD 1 54 PRO HG3 3.420 . 3.420 2.249 2.202 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 1 1103 1 41 ILE MD 1 55 THR H 5.500 . 5.500 5.420 5.284 5.507 0.007 21 0 "[ . 1 . 2 . 3 ]" 1 1104 1 41 ILE MD 1 55 THR MG 4.440 . 4.440 4.426 4.340 4.505 0.065 10 0 "[ . 1 . 2 . 3 ]" 1 1105 1 41 ILE MD 1 61 VAL HB 5.500 . 5.500 5.124 4.934 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1 1106 1 41 ILE MD 1 66 LEU MD1 5.250 . 5.250 4.344 4.167 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 1107 1 41 ILE MD 1 66 LEU QD 3.950 . 3.950 3.309 3.187 3.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 1108 1 41 ILE MD 1 66 LEU MD2 5.250 . 5.250 3.432 3.305 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1 1109 1 42 ARG H 1 42 ARG HB2 3.630 . 3.630 2.086 2.065 2.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 1110 1 42 ARG H 1 42 ARG HB3 3.630 . 3.630 3.051 2.931 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1 1111 1 42 ARG H 1 42 ARG HD2 5.500 . 5.500 4.512 4.418 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1 1112 1 42 ARG H 1 42 ARG HD3 5.500 . 5.500 5.608 5.559 5.661 0.161 8 0 "[ . 1 . 2 . 3 ]" 1 1113 1 42 ARG H 1 42 ARG HG2 4.650 . 4.650 4.565 4.510 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 1114 1 42 ARG H 1 42 ARG HG3 4.520 . 4.520 3.921 3.733 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 1115 1 42 ARG H 1 43 THR H 3.580 . 3.580 2.693 2.631 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1116 1 42 ARG H 1 43 THR HB 5.500 . 5.500 4.824 4.763 4.879 . 0 0 "[ . 1 . 2 . 3 ]" 1 1117 1 42 ARG H 1 44 ALA H 4.500 . 4.500 4.171 4.098 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 1118 1 42 ARG H 1 63 PRO HB3 5.300 . 5.300 5.193 4.985 5.370 0.070 13 0 "[ . 1 . 2 . 3 ]" 1 1119 1 42 ARG H 1 66 LEU MD1 5.500 . 5.500 3.560 3.421 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 1120 1 42 ARG H 1 66 LEU QD 4.160 . 4.160 3.476 3.345 3.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 1121 1 42 ARG H 1 66 LEU MD2 5.500 . 5.500 4.865 4.673 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 1122 1 42 ARG HA 1 42 ARG HE 4.960 . 4.960 4.624 4.438 4.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 1123 1 42 ARG HA 1 42 ARG HG2 3.890 . 3.890 2.923 2.757 3.053 . 0 0 "[ . 1 . 2 . 3 ]" 1 1124 1 42 ARG HA 1 42 ARG HG3 3.770 . 3.770 2.216 2.180 2.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 1125 1 42 ARG HA 1 44 ALA H 4.590 . 4.590 4.486 4.398 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 1126 1 42 ARG HA 1 45 LEU H 4.330 . 4.330 3.762 3.665 3.879 . 0 0 "[ . 1 . 2 . 3 ]" 1 1127 1 42 ARG HA 1 45 LEU HB2 4.800 . 4.800 3.455 3.307 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1 1128 1 42 ARG HA 1 45 LEU HB3 5.500 . 5.500 5.149 4.999 5.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 1129 1 42 ARG HA 1 45 LEU QD 3.730 . 3.730 2.982 2.739 3.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 1130 1 42 ARG HA 1 46 LEU H 4.780 . 4.780 4.308 4.121 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 1131 1 42 ARG HA 1 46 LEU MD1 4.810 . 4.810 3.830 3.094 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 1132 1 42 ARG HA 1 46 LEU QD 4.000 . 4.000 3.532 3.025 3.850 . 0 0 "[ . 1 . 2 . 3 ]" 1 1133 1 42 ARG HA 1 46 LEU MD2 4.810 . 4.810 4.439 4.170 4.833 0.023 24 0 "[ . 1 . 2 . 3 ]" 1 1134 1 42 ARG HA 1 63 PRO HA 4.630 . 4.630 3.651 3.441 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 1135 1 42 ARG HA 1 63 PRO HB3 4.190 . 4.190 2.519 2.311 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 1136 1 42 ARG HA 1 63 PRO HG3 5.070 . 5.070 4.389 3.505 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 1137 1 42 ARG HA 1 66 LEU QD 3.800 . 3.800 2.927 2.675 3.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 1138 1 42 ARG HB2 1 42 ARG HD2 4.000 . 4.000 2.438 2.347 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 1139 1 42 ARG HB2 1 42 ARG HD3 4.000 . 4.000 3.594 3.568 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 1140 1 42 ARG HB2 1 42 ARG HE 4.260 . 4.260 2.722 2.535 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 1141 1 42 ARG HB2 1 42 ARG HH11 5.110 . 5.110 4.627 4.414 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 1142 1 42 ARG HB2 1 43 THR H 3.860 . 3.860 3.236 3.105 3.341 . 0 0 "[ . 1 . 2 . 3 ]" 1 1143 1 42 ARG HB2 1 46 LEU MD1 5.500 . 5.500 4.497 4.144 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1 1144 1 42 ARG HB2 1 46 LEU QD 4.830 . 4.830 4.251 4.025 4.401 . 0 0 "[ . 1 . 2 . 3 ]" 1 1145 1 42 ARG HB2 1 46 LEU MD2 5.500 . 5.500 5.287 4.563 5.534 0.034 16 0 "[ . 1 . 2 . 3 ]" 1 1146 1 42 ARG HB3 1 42 ARG HE 4.650 . 4.650 4.013 3.902 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1 1147 1 42 ARG HB3 1 43 THR H 3.750 . 3.750 2.503 2.315 2.708 . 0 0 "[ . 1 . 2 . 3 ]" 1 1148 1 42 ARG HB3 1 46 LEU MD1 4.860 . 4.860 3.291 2.697 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 1149 1 42 ARG HB3 1 46 LEU QD 4.890 . 4.890 3.099 2.673 3.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 1150 1 42 ARG HD2 1 46 LEU MD1 5.500 . 5.500 4.311 3.907 4.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 1151 1 42 ARG HD2 1 46 LEU QD 4.710 . 4.710 4.017 3.794 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1 1152 1 42 ARG HD2 1 46 LEU MD2 5.500 . 5.500 5.011 4.190 5.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 1153 1 42 ARG HD2 1 66 LEU QD 5.440 . 5.440 4.427 4.211 4.731 . 0 0 "[ . 1 . 2 . 3 ]" 1 1154 1 42 ARG HD3 1 46 LEU MD1 5.500 . 5.500 4.002 3.635 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 1155 1 42 ARG HD3 1 46 LEU QD 4.580 . 4.580 3.737 3.474 4.011 . 0 0 "[ . 1 . 2 . 3 ]" 1 1156 1 42 ARG HD3 1 46 LEU MD2 5.500 . 5.500 4.509 3.986 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 1157 1 42 ARG HE 1 42 ARG HG2 4.060 . 4.060 3.991 3.945 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 1158 1 42 ARG HE 1 42 ARG HG3 3.950 . 3.950 3.139 3.011 3.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 1159 1 42 ARG HE 1 46 LEU QD 5.440 . 5.440 5.382 5.152 5.484 0.044 11 0 "[ . 1 . 2 . 3 ]" 1 1160 1 42 ARG HG2 1 43 THR H 4.950 . 4.950 4.484 4.238 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 1161 1 42 ARG HG2 1 46 LEU MD1 4.130 . 4.130 2.495 2.215 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 1162 1 42 ARG HG2 1 46 LEU QD 4.160 . 4.160 2.397 2.168 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 1163 1 42 ARG HG2 1 63 PRO HB3 4.480 . 4.480 3.049 2.303 3.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 1164 1 42 ARG HG3 1 42 ARG HH21 5.460 . 5.460 4.439 4.303 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 1165 1 42 ARG HG3 1 43 THR H 4.950 . 4.950 4.844 4.738 4.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 1166 1 42 ARG HG3 1 46 LEU QD 5.020 . 5.020 3.486 3.128 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 1167 1 42 ARG HG3 1 63 PRO HB2 4.600 . 4.600 2.433 2.169 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 1 1168 1 42 ARG HG3 1 63 PRO HB3 4.630 . 4.630 2.310 1.914 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 1169 1 42 ARG HG3 1 66 LEU QD 5.150 . 5.150 2.816 2.471 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1 1170 1 43 THR H 1 43 THR HB 3.250 . 3.250 2.540 2.468 2.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 1171 1 43 THR H 1 43 THR MG 3.800 . 3.800 3.744 3.735 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1 1172 1 43 THR H 1 44 ALA H 3.470 . 3.470 2.801 2.702 2.847 . 0 0 "[ . 1 . 2 . 3 ]" 1 1173 1 43 THR H 1 44 ALA HA 5.500 . 5.500 5.367 5.289 5.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 1174 1 43 THR H 1 44 ALA MB 5.500 . 5.500 4.454 4.353 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 1175 1 43 THR H 1 45 LEU H 4.870 . 4.870 4.436 4.376 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 1176 1 43 THR H 1 45 LEU QD 5.440 . 5.440 5.437 5.314 5.490 0.050 8 0 "[ . 1 . 2 . 3 ]" 1 1177 1 43 THR H 1 46 LEU H 5.350 . 5.350 4.711 4.630 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 1178 1 43 THR H 1 46 LEU MD1 5.500 . 5.500 4.167 3.542 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 1179 1 43 THR H 1 46 LEU QD 4.310 . 4.310 3.919 3.503 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 1180 1 43 THR H 1 46 LEU MD2 5.500 . 5.500 5.105 4.134 5.555 0.055 6 0 "[ . 1 . 2 . 3 ]" 1 1181 1 43 THR HA 1 43 THR MG 3.140 . 3.140 2.401 2.372 2.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 1182 1 43 THR HA 1 44 ALA MB 5.070 . 5.070 5.044 5.029 5.056 . 0 0 "[ . 1 . 2 . 3 ]" 1 1183 1 43 THR HA 1 45 LEU H 4.770 . 4.770 4.517 4.445 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 1184 1 43 THR HA 1 46 LEU H 3.880 . 3.880 3.395 3.316 3.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 1185 1 43 THR HA 1 46 LEU HB2 3.880 . 3.880 2.446 2.239 2.675 . 0 0 "[ . 1 . 2 . 3 ]" 1 1186 1 43 THR HA 1 46 LEU HB3 5.140 . 5.140 3.892 3.489 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 1187 1 43 THR HA 1 46 LEU MD1 4.380 . 4.380 2.952 2.220 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1 1188 1 43 THR HA 1 46 LEU QD 3.320 . 3.320 2.612 2.214 2.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 1189 1 43 THR HA 1 46 LEU HG 5.070 . 5.070 3.891 2.919 5.139 0.069 3 0 "[ . 1 . 2 . 3 ]" 1 1190 1 43 THR HA 1 47 GLU H 4.400 . 4.400 3.856 3.689 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1 1191 1 43 THR HA 1 47 GLU HG2 5.360 . 5.360 4.664 3.571 5.326 . 0 0 "[ . 1 . 2 . 3 ]" 1 1192 1 43 THR HA 1 47 GLU HG3 5.360 . 5.360 3.946 3.535 4.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1193 1 43 THR HB 1 44 ALA H 3.760 . 3.760 2.590 2.506 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 1194 1 43 THR HB 1 44 ALA MB 5.160 . 5.160 4.014 3.924 4.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 1195 1 43 THR MG 1 44 ALA H 3.430 . 3.430 3.437 3.405 3.457 0.027 8 0 "[ . 1 . 2 . 3 ]" 1 1196 1 43 THR MG 1 44 ALA HA 3.430 . 3.430 3.442 3.414 3.459 0.029 16 0 "[ . 1 . 2 . 3 ]" 1 1197 1 43 THR MG 1 44 ALA MB 4.130 . 4.130 4.167 4.145 4.193 0.063 16 0 "[ . 1 . 2 . 3 ]" 1 1198 1 43 THR MG 1 45 LEU H 5.270 . 5.270 5.077 5.030 5.141 . 0 0 "[ . 1 . 2 . 3 ]" 1 1199 1 43 THR MG 1 46 LEU HB2 4.750 . 4.750 3.762 3.599 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 1200 1 43 THR MG 1 47 GLU H 4.280 . 4.280 3.786 3.667 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 1201 1 43 THR MG 1 47 GLU HB2 4.120 . 4.120 3.721 3.407 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 1202 1 43 THR MG 1 47 GLU HG2 3.830 . 3.830 3.227 2.451 3.831 0.001 22 0 "[ . 1 . 2 . 3 ]" 1 1203 1 43 THR MG 1 47 GLU HG3 3.830 . 3.830 2.301 2.102 2.570 . 0 0 "[ . 1 . 2 . 3 ]" 1 1204 1 44 ALA H 1 44 ALA MB 2.750 . 2.750 2.237 2.226 2.249 . 0 0 "[ . 1 . 2 . 3 ]" 1 1205 1 44 ALA H 1 45 LEU H 3.480 . 3.480 2.812 2.754 2.855 . 0 0 "[ . 1 . 2 . 3 ]" 1 1206 1 44 ALA H 1 45 LEU MD1 5.500 . 5.500 5.226 5.055 5.346 . 0 0 "[ . 1 . 2 . 3 ]" 1 1207 1 44 ALA H 1 45 LEU MD2 5.500 . 5.500 5.540 5.470 5.580 0.080 6 0 "[ . 1 . 2 . 3 ]" 1 1208 1 44 ALA H 1 45 LEU HG 5.500 . 5.500 4.516 4.456 4.559 . 0 0 "[ . 1 . 2 . 3 ]" 1 1209 1 44 ALA H 1 46 LEU H 4.630 . 4.630 4.028 3.961 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 1210 1 44 ALA H 1 46 LEU QD 5.400 . 5.400 4.926 4.708 5.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 1211 1 44 ALA HA 1 47 GLU H 5.020 . 5.020 3.771 3.686 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 1212 1 44 ALA HA 1 47 GLU HB2 3.900 . 3.900 3.237 2.896 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1 1213 1 44 ALA HA 1 48 SER H 5.210 . 5.210 4.275 3.985 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 1214 1 44 ALA MB 1 45 LEU H 3.140 . 3.140 2.468 2.401 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 1215 1 44 ALA MB 1 45 LEU HA 4.290 . 4.290 3.833 3.820 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 1216 1 44 ALA MB 1 45 LEU MD1 4.680 . 4.680 4.138 4.026 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 1217 1 44 ALA MB 1 45 LEU QD 3.750 . 3.750 3.362 3.297 3.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 1218 1 44 ALA MB 1 45 LEU MD2 4.680 . 4.680 3.558 3.476 3.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 1219 1 44 ALA MB 1 45 LEU HG 4.400 . 4.400 2.964 2.853 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 1220 1 44 ALA MB 1 46 LEU H 5.500 . 5.500 4.389 4.345 4.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 1221 1 44 ALA MB 1 53 CYS HA 4.690 . 4.690 3.932 3.784 4.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 1222 1 44 ALA MB 1 54 PRO HA 4.260 . 4.260 3.953 3.900 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 1223 1 44 ALA MB 1 54 PRO HB2 4.410 . 4.410 3.586 3.478 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 1224 1 44 ALA MB 1 54 PRO HB3 3.390 . 3.390 2.354 2.249 2.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 1225 1 44 ALA MB 1 54 PRO HD2 4.430 . 4.430 3.739 3.641 3.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 1226 1 44 ALA MB 1 54 PRO HD3 4.430 . 4.430 2.430 2.303 2.569 . 0 0 "[ . 1 . 2 . 3 ]" 1 1227 1 44 ALA MB 1 54 PRO HG2 4.300 . 4.300 3.683 3.587 3.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 1228 1 44 ALA MB 1 54 PRO HG3 3.170 . 3.170 2.303 2.211 2.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 1229 1 44 ALA MB 1 55 THR H 5.500 . 5.500 5.616 5.576 5.659 0.159 18 0 "[ . 1 . 2 . 3 ]" 1 1230 1 45 LEU H 1 45 LEU HB2 3.680 . 3.680 2.538 2.494 2.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 1231 1 45 LEU H 1 45 LEU HB3 3.680 . 3.680 3.611 3.597 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1 1232 1 45 LEU H 1 45 LEU MD1 3.780 . 3.780 3.412 3.317 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 1233 1 45 LEU H 1 45 LEU QD 3.280 . 3.280 3.065 3.027 3.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 1234 1 45 LEU H 1 45 LEU MD2 3.780 . 3.780 3.473 3.418 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 1235 1 45 LEU H 1 45 LEU HG 4.110 . 4.110 2.218 2.139 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 1236 1 45 LEU H 1 46 LEU H 3.630 . 3.630 2.512 2.463 2.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 1237 1 45 LEU H 1 46 LEU HA 5.500 . 5.500 5.134 5.087 5.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 1238 1 45 LEU H 1 46 LEU QD 4.350 . 4.350 4.256 3.852 4.484 0.134 18 0 "[ . 1 . 2 . 3 ]" 1 1239 1 45 LEU HA 1 45 LEU MD1 4.020 . 4.020 3.917 3.893 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 1240 1 45 LEU HA 1 45 LEU QD 2.790 . 2.790 2.182 2.135 2.251 . 0 0 "[ . 1 . 2 . 3 ]" 1 1241 1 45 LEU HA 1 45 LEU MD2 4.020 . 4.020 2.193 2.144 2.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 1242 1 45 LEU HA 1 51 HIS HA 4.280 . 4.280 2.796 2.629 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1 1243 1 45 LEU HA 1 51 HIS HD2 4.660 . 4.660 3.677 3.447 4.070 . 0 0 "[ . 1 . 2 . 3 ]" 1 1244 1 45 LEU HA 1 52 THR HB 5.500 . 5.500 5.451 5.253 5.554 0.054 22 0 "[ . 1 . 2 . 3 ]" 1 1245 1 45 LEU HB2 1 46 LEU H 3.830 . 3.830 2.861 2.737 2.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 1246 1 45 LEU HB2 1 46 LEU QD 4.200 . 4.200 3.261 2.859 3.649 . 0 0 "[ . 1 . 2 . 3 ]" 1 1247 1 45 LEU HB2 1 51 HIS HD2 5.230 . 5.230 4.732 4.264 4.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 1248 1 45 LEU HB2 1 62 SER HA 5.120 . 5.120 4.243 4.122 4.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 1249 1 45 LEU HB2 1 63 PRO HB3 4.950 . 4.950 3.177 2.680 3.913 . 0 0 "[ . 1 . 2 . 3 ]" 1 1250 1 45 LEU HB2 1 63 PRO HD3 4.920 . 4.920 2.984 2.806 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 1251 1 45 LEU HB3 1 45 LEU MD1 3.470 . 3.470 2.526 2.483 2.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 1252 1 45 LEU HB3 1 45 LEU MD2 3.470 . 3.470 2.266 2.247 2.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 1253 1 45 LEU HB3 1 46 LEU H 4.160 . 4.160 3.903 3.807 3.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 1254 1 45 LEU HB3 1 46 LEU HA 5.300 . 5.300 4.570 4.528 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1 1255 1 45 LEU HB3 1 51 HIS H 5.330 . 5.330 5.387 5.348 5.419 0.089 15 0 "[ . 1 . 2 . 3 ]" 1 1256 1 45 LEU HB3 1 51 HIS HD2 4.710 . 4.710 3.248 2.798 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 1257 1 45 LEU HB3 1 63 PRO HA 5.500 . 5.500 5.033 4.581 5.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 1258 1 45 LEU HB3 1 63 PRO HB3 5.500 . 5.500 4.426 3.886 5.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 1259 1 45 LEU HB3 1 63 PRO HD2 5.230 . 5.230 4.437 4.000 4.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 1260 1 45 LEU HB3 1 63 PRO HD3 4.920 . 4.920 2.732 2.277 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1261 1 45 LEU QD 1 46 LEU H 4.210 . 4.210 4.145 4.082 4.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 1262 1 45 LEU QD 1 48 SER H 5.440 . 5.440 4.989 4.854 5.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1263 1 45 LEU QD 1 51 HIS H 5.310 . 5.310 4.624 4.455 4.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 1264 1 45 LEU QD 1 51 HIS HA 3.890 . 3.890 2.803 2.616 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 1265 1 45 LEU QD 1 51 HIS HB2 4.140 . 4.140 3.945 3.706 4.149 0.009 25 0 "[ . 1 . 2 . 3 ]" 1 1266 1 45 LEU QD 1 51 HIS HB3 4.100 . 4.100 2.513 2.243 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 1267 1 45 LEU QD 1 51 HIS HD2 5.440 . 5.440 3.749 3.531 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1 1268 1 45 LEU QD 1 52 THR H 4.150 . 4.150 4.011 3.897 4.155 0.005 5 0 "[ . 1 . 2 . 3 ]" 1 1269 1 45 LEU QD 1 52 THR HA 4.690 . 4.690 4.509 4.421 4.629 . 0 0 "[ . 1 . 2 . 3 ]" 1 1270 1 45 LEU QD 1 52 THR HB 5.440 . 5.440 5.000 4.865 5.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 1271 1 45 LEU QD 1 53 CYS H 4.170 . 4.170 4.063 3.927 4.196 0.026 12 0 "[ . 1 . 2 . 3 ]" 1 1272 1 45 LEU QD 1 53 CYS HA 3.300 . 3.300 2.903 2.757 3.088 . 0 0 "[ . 1 . 2 . 3 ]" 1 1273 1 45 LEU QD 1 53 CYS HB2 4.270 . 4.270 3.755 3.641 3.888 . 0 0 "[ . 1 . 2 . 3 ]" 1 1274 1 45 LEU QD 1 53 CYS HB3 5.220 . 5.220 4.902 4.790 5.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 1275 1 45 LEU QD 1 54 PRO HD2 4.480 . 4.480 3.896 3.769 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 1276 1 45 LEU QD 1 54 PRO HD3 4.400 . 4.400 3.329 3.158 3.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 1277 1 45 LEU QD 1 58 GLN HB2 5.410 . 5.410 5.178 4.868 5.467 0.057 20 0 "[ . 1 . 2 . 3 ]" 1 1278 1 45 LEU QD 1 60 ASP H 5.230 . 5.230 4.996 4.876 5.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 1279 1 45 LEU QD 1 61 VAL H 4.370 . 4.370 3.669 3.556 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 1280 1 45 LEU QD 1 61 VAL HB 3.720 . 3.720 2.003 1.900 2.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 1281 1 45 LEU QD 1 62 SER H 4.380 . 4.380 2.656 2.470 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 1282 1 45 LEU QD 1 62 SER HA 4.840 . 4.840 2.514 2.408 2.626 . 0 0 "[ . 1 . 2 . 3 ]" 1 1283 1 45 LEU QD 1 62 SER QB 5.280 . 5.280 3.824 3.785 3.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 1284 1 45 LEU QD 1 63 PRO HA 3.370 . 3.370 2.419 2.179 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 1285 1 45 LEU QD 1 63 PRO HB2 4.650 . 4.650 4.058 3.890 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1 1286 1 45 LEU QD 1 63 PRO HB3 4.140 . 4.140 2.801 2.565 3.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 1287 1 45 LEU QD 1 63 PRO HD2 5.200 . 5.200 3.769 3.579 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 1288 1 45 LEU QD 1 63 PRO HD3 4.460 . 4.460 2.745 2.510 2.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 1289 1 45 LEU QD 1 63 PRO HG3 4.620 . 4.620 3.818 2.914 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1 1290 1 45 LEU QD 1 64 ASP H 5.440 . 5.440 4.240 4.086 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 1291 1 45 LEU QD 1 65 ALA MB 5.440 . 5.440 4.278 4.017 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 1292 1 45 LEU QD 1 66 LEU H 5.440 . 5.440 4.989 4.698 5.239 . 0 0 "[ . 1 . 2 . 3 ]" 1 1293 1 45 LEU QD 1 66 LEU QD 2.990 . 2.990 2.428 2.250 2.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 1294 1 45 LEU MD1 1 46 LEU H 4.830 . 4.830 4.540 4.418 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 1295 1 45 LEU MD1 1 51 HIS HD2 5.500 . 5.500 5.076 4.689 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 1 1296 1 45 LEU MD1 1 54 PRO HG3 5.500 . 5.500 5.530 5.497 5.564 0.064 21 0 "[ . 1 . 2 . 3 ]" 1 1297 1 45 LEU MD1 1 61 VAL HB 4.010 . 4.010 2.919 2.728 3.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 1298 1 45 LEU MD1 1 62 SER H 4.990 . 4.990 2.765 2.573 2.954 . 0 0 "[ . 1 . 2 . 3 ]" 1 1299 1 45 LEU MD2 1 46 LEU H 4.830 . 4.830 4.790 4.764 4.835 0.005 12 0 "[ . 1 . 2 . 3 ]" 1 1300 1 45 LEU MD2 1 51 HIS HD2 5.500 . 5.500 3.863 3.652 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 1301 1 45 LEU MD2 1 54 PRO HG3 5.500 . 5.500 4.961 4.752 5.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 1302 1 45 LEU MD2 1 61 VAL HB 4.010 . 4.010 2.041 1.925 2.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 1303 1 45 LEU MD2 1 62 SER H 4.990 . 4.990 3.455 3.033 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 1304 1 45 LEU HG 1 62 SER H 5.500 . 5.500 5.495 5.163 5.604 0.104 30 0 "[ . 1 . 2 . 3 ]" 1 1305 1 45 LEU HG 1 62 SER HA 5.090 . 5.090 5.268 5.208 5.329 0.239 21 0 "[ . 1 . 2 . 3 ]" 1 1306 1 46 LEU H 1 46 LEU HB2 3.690 . 3.690 2.362 2.058 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1 1307 1 46 LEU H 1 46 LEU HB3 3.880 . 3.880 3.526 3.367 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1 1308 1 46 LEU H 1 46 LEU MD1 4.090 . 4.090 3.251 2.472 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1309 1 46 LEU H 1 46 LEU QD 3.060 . 3.060 2.804 2.439 3.079 0.019 18 0 "[ . 1 . 2 . 3 ]" 1 1310 1 46 LEU H 1 46 LEU MD2 4.090 . 4.090 3.454 3.025 3.988 . 0 0 "[ . 1 . 2 . 3 ]" 1 1311 1 46 LEU H 1 46 LEU HG 3.990 . 3.990 3.037 2.207 4.175 0.185 2 0 "[ . 1 . 2 . 3 ]" 1 1312 1 46 LEU HA 1 46 LEU MD1 4.060 . 4.060 3.196 2.088 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 1313 1 46 LEU HA 1 46 LEU QD 2.600 . 2.600 2.148 2.041 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 1 1314 1 46 LEU HA 1 46 LEU MD2 4.060 . 4.060 2.776 2.049 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 1315 1 46 LEU HA 1 46 LEU HG 3.730 . 3.730 2.920 2.409 3.293 . 0 0 "[ . 1 . 2 . 3 ]" 1 1316 1 46 LEU HB2 1 46 LEU QD 2.830 . 2.830 2.231 2.095 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1 1317 1 46 LEU HB2 1 47 GLU H 3.900 . 3.900 2.747 2.539 3.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 1318 1 46 LEU HB2 1 48 SER H 5.500 . 5.500 5.048 4.711 5.421 . 0 0 "[ . 1 . 2 . 3 ]" 1 1319 1 46 LEU HB3 1 46 LEU MD1 3.240 . 3.240 2.694 2.285 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 1320 1 46 LEU HB3 1 46 LEU QD 2.830 . 2.830 2.180 2.092 2.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 1321 1 46 LEU HB3 1 46 LEU MD2 3.240 . 3.240 2.377 2.290 2.465 . 0 0 "[ . 1 . 2 . 3 ]" 1 1322 1 46 LEU HB3 1 47 GLU H 4.410 . 4.410 3.485 2.950 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1323 1 46 LEU QD 1 63 PRO HB3 3.550 . 3.550 3.061 2.598 3.405 . 0 0 "[ . 1 . 2 . 3 ]" 1 1324 1 46 LEU QD 1 63 PRO HD2 4.270 . 4.270 4.218 4.106 4.291 0.021 1 0 "[ . 1 . 2 . 3 ]" 1 1325 1 46 LEU QD 1 63 PRO HD3 3.890 . 3.890 3.516 3.324 3.901 0.011 12 0 "[ . 1 . 2 . 3 ]" 1 1326 1 46 LEU QD 1 63 PRO HG3 4.140 . 4.140 2.166 2.002 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1 1327 1 47 GLU H 1 47 GLU HA 2.870 . 2.870 2.856 2.828 2.893 0.023 1 0 "[ . 1 . 2 . 3 ]" 1 1328 1 47 GLU H 1 47 GLU HB2 2.830 . 2.830 2.412 2.274 2.546 . 0 0 "[ . 1 . 2 . 3 ]" 1 1329 1 47 GLU H 1 47 GLU HB3 3.960 . 3.960 3.591 3.540 3.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 1330 1 47 GLU H 1 47 GLU HG2 3.580 . 3.580 3.109 2.317 3.607 0.027 24 0 "[ . 1 . 2 . 3 ]" 1 1331 1 47 GLU H 1 47 GLU HG3 3.750 . 3.750 2.797 2.174 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 1 1332 1 47 GLU H 1 48 SER H 3.210 . 3.210 2.562 2.395 2.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 1333 1 47 GLU HA 1 47 GLU HG2 4.010 . 4.010 2.466 2.273 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1 1334 1 47 GLU HA 1 47 GLU HG3 4.010 . 4.010 3.393 3.088 3.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 1335 1 47 GLU HB2 1 48 SER H 4.330 . 4.330 2.805 2.445 3.564 . 0 0 "[ . 1 . 2 . 3 ]" 1 1336 1 47 GLU HB3 1 48 SER H 4.330 . 4.330 3.702 3.267 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 1337 1 47 GLU HB3 1 48 SER HA 4.710 . 4.710 4.410 4.158 4.643 . 0 0 "[ . 1 . 2 . 3 ]" 1 1338 1 47 GLU HG2 1 48 SER H 5.120 . 5.120 4.800 4.320 5.132 0.012 11 0 "[ . 1 . 2 . 3 ]" 1 1339 1 47 GLU HG3 1 48 SER H 5.390 . 5.390 4.595 4.117 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 1340 1 48 SER H 1 48 SER HB2 3.650 . 3.650 2.695 2.560 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1341 1 48 SER H 1 48 SER HB3 3.770 . 3.770 3.574 2.526 3.803 0.033 15 0 "[ . 1 . 2 . 3 ]" 1 1342 1 48 SER H 1 49 ASP H 4.780 . 4.780 4.306 3.998 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 1343 1 48 SER H 1 49 ASP HA 5.500 . 5.500 5.157 4.623 5.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 1344 1 48 SER H 1 51 HIS H 4.910 . 4.910 4.828 4.501 4.953 0.043 13 0 "[ . 1 . 2 . 3 ]" 1 1345 1 48 SER H 1 51 HIS HD2 5.460 . 5.460 5.048 4.512 5.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 1346 1 48 SER HA 1 49 ASP H 2.690 . 2.690 2.152 2.115 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 1347 1 48 SER HA 1 49 ASP QB 4.460 . 4.460 4.124 4.049 4.497 0.037 6 0 "[ . 1 . 2 . 3 ]" 1 1348 1 48 SER HA 1 50 GLU H 4.180 . 4.180 3.615 3.472 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 1349 1 48 SER HB2 1 49 ASP H 4.700 . 4.700 4.264 4.011 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 1350 1 48 SER HB2 1 51 HIS H 4.770 . 4.770 3.117 2.905 4.314 . 0 0 "[ . 1 . 2 . 3 ]" 1 1351 1 48 SER HB2 1 51 HIS HA 4.560 . 4.560 2.964 2.567 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 1352 1 48 SER HB2 1 52 THR H 3.680 . 3.680 2.169 1.818 2.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 1353 1 48 SER HB2 1 52 THR HB 4.480 . 4.480 3.306 2.993 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 1354 1 48 SER HB3 1 49 ASP H 4.440 . 4.440 3.750 3.190 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 1355 1 48 SER HB3 1 50 GLU H 4.990 . 4.990 3.384 3.077 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 1356 1 48 SER HB3 1 51 HIS H 3.800 . 3.800 3.441 2.798 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 1357 1 48 SER HB3 1 51 HIS HA 4.560 . 4.560 4.056 2.626 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1 1358 1 48 SER HB3 1 52 THR H 3.680 . 3.680 2.222 1.875 2.618 . 0 0 "[ . 1 . 2 . 3 ]" 1 1359 1 48 SER HB3 1 52 THR HB 4.450 . 4.450 2.740 2.434 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 1360 1 49 ASP H 1 49 ASP QB 2.810 . 2.810 2.246 2.073 2.623 . 0 0 "[ . 1 . 2 . 3 ]" 1 1361 1 49 ASP H 1 50 GLU H 3.270 . 3.270 2.644 2.346 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1 1362 1 49 ASP H 1 50 GLU QG 4.160 . 4.160 3.966 3.543 4.222 0.062 19 0 "[ . 1 . 2 . 3 ]" 1 1363 1 49 ASP H 1 51 HIS H 4.310 . 4.310 4.016 3.814 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 1364 1 49 ASP HA 1 49 ASP QB 2.720 . 2.720 2.384 2.284 2.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 1365 1 49 ASP HA 1 50 GLU H 3.570 . 3.570 3.469 3.340 3.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 1366 1 49 ASP QB 1 50 GLU H 3.380 . 3.380 2.820 2.597 3.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 1367 1 49 ASP QB 1 50 GLU QG 4.350 . 4.350 3.944 2.931 4.449 0.099 13 0 "[ . 1 . 2 . 3 ]" 1 1368 1 49 ASP QB 1 51 HIS H 4.900 . 4.900 4.478 4.376 4.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 1369 1 50 GLU H 1 50 GLU HB2 3.750 . 3.750 3.442 2.483 3.719 . 0 0 "[ . 1 . 2 . 3 ]" 1 1370 1 50 GLU H 1 50 GLU QG 2.900 . 2.900 2.126 1.854 2.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 1371 1 50 GLU H 1 51 HIS HA 4.740 . 4.740 4.653 4.213 4.753 0.013 8 0 "[ . 1 . 2 . 3 ]" 1 1372 1 50 GLU H 1 51 HIS HD2 5.090 . 5.090 5.126 5.089 5.163 0.073 7 0 "[ . 1 . 2 . 3 ]" 1 1373 1 50 GLU HA 1 50 GLU HB3 2.810 . 2.810 2.349 2.304 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 1374 1 50 GLU HA 1 50 GLU QG 3.460 . 3.460 3.318 2.751 3.476 0.016 16 0 "[ . 1 . 2 . 3 ]" 1 1375 1 50 GLU HA 1 51 HIS H 3.520 . 3.520 3.190 3.111 3.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 1376 1 50 GLU HA 1 59 ASN HB2 5.500 . 5.500 4.545 4.243 4.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 1377 1 50 GLU HB2 1 50 GLU QG 2.700 . 2.700 2.250 2.132 2.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 1378 1 50 GLU HB2 1 51 HIS H 4.270 . 4.270 4.142 3.453 4.324 0.054 10 0 "[ . 1 . 2 . 3 ]" 1 1379 1 50 GLU HB2 1 52 THR H 5.500 . 5.500 4.326 2.995 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 1380 1 50 GLU HB2 1 59 ASN HB2 5.150 . 5.150 3.092 2.358 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 1381 1 50 GLU HB3 1 59 ASN HB2 5.060 . 5.060 4.232 2.838 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 1382 1 50 GLU QG 1 51 HIS H 4.230 . 4.230 3.375 3.033 4.320 0.090 22 0 "[ . 1 . 2 . 3 ]" 1 1383 1 50 GLU QG 1 52 THR HB 5.500 . 5.500 4.100 3.514 5.549 0.049 1 0 "[ . 1 . 2 . 3 ]" 1 1384 1 50 GLU QG 1 52 THR MG 5.500 . 5.500 3.979 3.677 5.234 . 0 0 "[ . 1 . 2 . 3 ]" 1 1385 1 50 GLU QG 1 59 ASN HA 5.500 . 5.500 4.540 3.886 5.590 0.090 22 0 "[ . 1 . 2 . 3 ]" 1 1386 1 50 GLU QG 1 59 ASN HB2 4.830 . 4.830 4.433 3.899 4.915 0.085 22 0 "[ . 1 . 2 . 3 ]" 1 1387 1 51 HIS H 1 51 HIS HD2 3.640 . 3.640 2.863 2.740 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 1388 1 51 HIS H 1 52 THR HB 5.280 . 5.280 5.257 4.930 5.361 0.081 15 0 "[ . 1 . 2 . 3 ]" 1 1389 1 51 HIS HA 1 51 HIS HD2 3.130 . 3.130 2.288 2.194 2.388 . 0 0 "[ . 1 . 2 . 3 ]" 1 1390 1 51 HIS HA 1 52 THR H 3.490 . 3.490 2.718 2.646 2.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 1391 1 51 HIS HA 1 61 VAL H 5.260 . 5.260 4.754 4.486 4.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 1392 1 51 HIS HB2 1 52 THR HA 5.270 . 5.270 4.919 4.863 5.010 . 0 0 "[ . 1 . 2 . 3 ]" 1 1393 1 51 HIS HB2 1 59 ASN HA 5.300 . 5.300 3.253 2.901 3.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 1394 1 51 HIS HB2 1 60 ASP H 4.410 . 4.410 3.765 3.463 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1 1395 1 51 HIS HB2 1 60 ASP HA 4.370 . 4.370 3.455 3.206 3.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1396 1 51 HIS HB2 1 61 VAL H 3.700 . 3.700 2.706 2.507 2.881 . 0 0 "[ . 1 . 2 . 3 ]" 1 1397 1 51 HIS HB2 1 61 VAL HB 5.500 . 5.500 4.713 4.396 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 1398 1 51 HIS HB3 1 52 THR HA 5.500 . 5.500 5.046 4.919 5.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 1399 1 51 HIS HB3 1 59 ASN HA 5.500 . 5.500 4.245 3.839 4.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 1400 1 51 HIS HB3 1 60 ASP H 4.690 . 4.690 4.104 3.803 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1 1401 1 51 HIS HB3 1 60 ASP HA 4.570 . 4.570 4.300 3.856 4.605 0.035 10 0 "[ . 1 . 2 . 3 ]" 1 1402 1 51 HIS HB3 1 61 VAL H 4.520 . 4.520 2.341 1.963 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 1403 1 51 HIS HE1 1 60 ASP HA 5.360 . 5.360 5.453 5.385 5.495 0.135 20 0 "[ . 1 . 2 . 3 ]" 1 1404 1 51 HIS HE1 1 62 SER HA 4.620 . 4.620 4.515 4.203 4.637 0.017 12 0 "[ . 1 . 2 . 3 ]" 1 1405 1 51 HIS HE1 1 63 PRO HD2 5.500 . 5.500 5.157 4.849 5.556 0.056 8 0 "[ . 1 . 2 . 3 ]" 1 1406 1 51 HIS HE1 1 63 PRO HD3 5.290 . 5.290 5.353 5.086 5.400 0.110 11 0 "[ . 1 . 2 . 3 ]" 1 1407 1 52 THR H 1 52 THR HB 3.090 . 3.090 2.674 2.489 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1408 1 52 THR H 1 52 THR MG 3.890 . 3.890 3.736 3.694 3.771 . 0 0 "[ . 1 . 2 . 3 ]" 1 1409 1 52 THR H 1 53 CYS H 4.590 . 4.590 4.429 4.364 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 1410 1 52 THR HA 1 52 THR MG 3.130 . 3.130 2.302 2.204 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 1411 1 52 THR HA 1 53 CYS H 3.410 . 3.410 2.149 2.123 2.184 . 0 0 "[ . 1 . 2 . 3 ]" 1 1412 1 52 THR HA 1 57 HIS HB3 5.090 . 5.090 4.837 4.492 5.093 0.003 2 0 "[ . 1 . 2 . 3 ]" 1 1413 1 52 THR HA 1 58 GLN H 4.200 . 4.200 4.012 3.874 4.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 1414 1 52 THR HB 1 53 CYS H 4.610 . 4.610 4.216 4.073 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 1415 1 52 THR MG 1 53 CYS H 3.320 . 3.320 2.984 2.830 3.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 1416 1 52 THR MG 1 53 CYS HB2 5.120 . 5.120 4.959 4.812 5.088 . 0 0 "[ . 1 . 2 . 3 ]" 1 1417 1 52 THR MG 1 53 CYS HB3 4.520 . 4.520 4.260 4.122 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 1418 1 52 THR MG 1 54 PRO HA 4.300 . 4.300 4.283 4.065 4.365 0.065 21 0 "[ . 1 . 2 . 3 ]" 1 1419 1 52 THR MG 1 57 HIS H 3.910 . 3.910 3.943 3.874 4.035 0.125 15 0 "[ . 1 . 2 . 3 ]" 1 1420 1 52 THR MG 1 57 HIS HA 2.860 . 2.860 2.142 2.095 2.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 1421 1 52 THR MG 1 57 HIS HB2 4.410 . 4.410 3.956 3.774 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 1422 1 52 THR MG 1 57 HIS HB3 3.900 . 3.900 2.686 2.404 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 1423 1 52 THR MG 1 57 HIS HD2 4.330 . 4.330 2.564 2.184 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 1424 1 52 THR MG 1 58 GLN H 4.090 . 4.090 3.947 3.790 4.102 0.012 21 0 "[ . 1 . 2 . 3 ]" 1 1425 1 53 CYS H 1 53 CYS HB2 3.580 . 3.580 2.549 2.478 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 1426 1 53 CYS H 1 53 CYS HB3 3.590 . 3.590 2.532 2.459 2.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 1427 1 53 CYS H 1 54 PRO HD2 5.050 . 5.050 4.946 4.908 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 1428 1 53 CYS H 1 57 HIS H 4.420 . 4.420 3.825 3.696 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 1429 1 53 CYS H 1 57 HIS HA 4.480 . 4.480 2.837 2.640 3.114 . 0 0 "[ . 1 . 2 . 3 ]" 1 1430 1 53 CYS H 1 58 GLN H 4.120 . 4.120 2.327 2.205 2.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 1431 1 53 CYS H 1 58 GLN HA 4.680 . 4.680 4.188 4.059 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 1432 1 53 CYS H 1 58 GLN HB2 4.800 . 4.800 3.393 3.207 3.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 1433 1 53 CYS H 1 58 GLN HE21 5.500 . 5.500 5.573 5.508 5.678 0.178 1 0 "[ . 1 . 2 . 3 ]" 1 1434 1 53 CYS HA 1 54 PRO HD2 3.630 . 3.630 2.362 2.292 2.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 1435 1 53 CYS HA 1 54 PRO HD3 3.630 . 3.630 2.120 2.080 2.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 1436 1 53 CYS HA 1 54 PRO HG3 4.420 . 4.420 4.316 4.297 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 1437 1 53 CYS HA 1 55 THR H 4.810 . 4.810 4.104 3.995 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 1438 1 53 CYS HA 1 57 HIS H 4.840 . 4.840 4.507 4.432 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1 1439 1 53 CYS HB2 1 54 PRO HD2 4.890 . 4.890 3.749 3.648 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 1440 1 53 CYS HB2 1 55 THR H 4.930 . 4.930 4.538 4.393 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 1441 1 53 CYS HB2 1 56 CYS H 4.580 . 4.580 4.099 4.015 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1 1442 1 53 CYS HB2 1 57 HIS H 3.980 . 3.980 3.967 3.866 4.033 0.053 3 0 "[ . 1 . 2 . 3 ]" 1 1443 1 53 CYS HB2 1 57 HIS HA 4.910 . 4.910 4.403 4.248 4.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 1444 1 53 CYS HB2 1 58 GLN H 3.700 . 3.700 2.577 2.456 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 1445 1 53 CYS HB2 1 58 GLN HB2 5.050 . 5.050 2.358 2.116 2.757 . 0 0 "[ . 1 . 2 . 3 ]" 1 1446 1 53 CYS HB2 1 58 GLN HB3 5.050 . 5.050 3.281 2.928 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 1447 1 53 CYS HB3 1 54 PRO HD3 4.890 . 4.890 4.750 4.675 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 1448 1 53 CYS HB3 1 55 THR H 4.300 . 4.300 3.237 3.108 3.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 1449 1 53 CYS HB3 1 55 THR MG 5.380 . 5.380 3.478 3.337 3.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1450 1 53 CYS HB3 1 56 CYS H 4.190 . 4.190 2.699 2.615 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 1451 1 53 CYS HB3 1 57 HIS H 3.910 . 3.910 2.218 2.120 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1 1452 1 53 CYS HB3 1 57 HIS HA 4.950 . 4.950 3.056 2.872 3.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 1453 1 53 CYS HB3 1 58 GLN H 3.640 . 3.640 1.635 1.586 1.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 1454 1 53 CYS HB3 1 58 GLN HB2 4.530 . 4.530 2.690 2.554 2.865 . 0 0 "[ . 1 . 2 . 3 ]" 1 1455 1 53 CYS HB3 1 58 GLN HB3 5.380 . 5.380 4.066 3.680 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1 1456 1 54 PRO HA 1 55 THR MG 4.770 . 4.770 4.930 4.859 5.045 0.275 22 0 "[ . 1 . 2 . 3 ]" 1 1457 1 54 PRO HA 1 57 HIS H 5.160 . 5.160 4.588 4.496 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 1458 1 54 PRO HA 1 57 HIS HE1 5.460 . 5.460 4.956 4.246 5.465 0.005 2 0 "[ . 1 . 2 . 3 ]" 1 1459 1 54 PRO HB2 1 55 THR H 4.250 . 4.250 4.301 4.269 4.322 0.072 10 0 "[ . 1 . 2 . 3 ]" 1 1460 1 54 PRO HB2 1 55 THR MG 5.490 . 5.490 5.061 5.003 5.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 1461 1 54 PRO HB3 1 55 THR H 4.640 . 4.640 4.623 4.597 4.640 0.000 19 0 "[ . 1 . 2 . 3 ]" 1 1462 1 54 PRO HB3 1 55 THR MG 5.500 . 5.500 5.722 5.676 5.779 0.279 22 0 "[ . 1 . 2 . 3 ]" 1 1463 1 54 PRO HD2 1 55 THR H 4.490 . 4.490 3.623 3.367 3.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 1464 1 54 PRO HD2 1 55 THR MG 5.340 . 5.340 3.457 3.314 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1 1465 1 54 PRO HD2 1 57 HIS H 5.450 . 5.450 5.028 4.915 5.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 1466 1 54 PRO HD2 1 58 GLN H 5.500 . 5.500 5.552 5.512 5.589 0.089 22 0 "[ . 1 . 2 . 3 ]" 1 1467 1 54 PRO HD3 1 55 THR H 4.750 . 4.750 4.436 4.278 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 1468 1 54 PRO HD3 1 55 THR MG 5.310 . 5.310 4.915 4.802 5.008 . 0 0 "[ . 1 . 2 . 3 ]" 1 1469 1 54 PRO HG2 1 55 THR H 4.650 . 4.650 4.104 3.920 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 1470 1 54 PRO HG2 1 55 THR HA 5.440 . 5.440 5.069 4.937 5.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 1471 1 54 PRO HG2 1 55 THR MG 4.550 . 4.550 3.911 3.870 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 1472 1 54 PRO HG3 1 55 THR H 5.500 . 5.500 5.186 5.041 5.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 1473 1 55 THR H 1 55 THR HB 3.960 . 3.960 3.184 3.070 3.248 . 0 0 "[ . 1 . 2 . 3 ]" 1 1474 1 55 THR H 1 55 THR MG 3.600 . 3.600 2.724 2.595 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 1475 1 55 THR H 1 56 CYS HA 5.050 . 5.050 4.455 4.406 4.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 1476 1 55 THR H 1 56 CYS HB3 5.050 . 5.050 5.047 4.982 5.079 0.029 17 0 "[ . 1 . 2 . 3 ]" 1 1477 1 55 THR H 1 57 HIS H 3.950 . 3.950 2.315 2.243 2.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 1478 1 55 THR H 1 57 HIS HA 4.860 . 4.860 3.814 3.732 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 1479 1 55 THR H 1 57 HIS HE1 4.990 . 4.990 4.578 4.226 4.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 1480 1 55 THR HA 1 55 THR MG 3.200 . 3.200 3.170 3.137 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 1481 1 55 THR HA 1 56 CYS HA 4.860 . 4.860 4.562 4.540 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1 1482 1 55 THR HA 1 57 HIS H 5.200 . 5.200 4.423 4.358 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1 1483 1 55 THR HA 1 57 HIS HE1 4.110 . 4.110 4.049 3.933 4.147 0.037 14 0 "[ . 1 . 2 . 3 ]" 1 1484 1 55 THR HB 1 56 CYS H 4.540 . 4.540 3.593 3.558 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 1485 1 55 THR HB 1 57 HIS H 5.500 . 5.500 5.106 5.031 5.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 1486 1 55 THR MG 1 56 CYS H 3.680 . 3.680 1.826 1.784 1.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 1487 1 55 THR MG 1 56 CYS HA 4.330 . 4.330 3.296 3.231 3.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1488 1 55 THR MG 1 56 CYS HB2 4.820 . 4.820 3.846 3.798 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1 1489 1 55 THR MG 1 56 CYS HB3 4.310 . 4.310 2.446 2.352 2.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 1490 1 55 THR MG 1 57 HIS H 4.170 . 4.170 3.491 3.437 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 1491 1 55 THR MG 1 57 HIS HA 5.500 . 5.500 5.284 5.208 5.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 1492 1 56 CYS H 1 56 CYS HB2 4.090 . 4.090 3.708 3.691 3.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1493 1 56 CYS H 1 56 CYS HB3 4.090 . 4.090 2.926 2.876 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 1494 1 56 CYS H 1 57 HIS H 3.640 . 3.640 2.039 1.980 2.090 . 0 0 "[ . 1 . 2 . 3 ]" 1 1495 1 56 CYS H 1 57 HIS HA 4.990 . 4.990 4.236 4.167 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 1496 1 56 CYS H 1 57 HIS HE1 5.500 . 5.500 5.546 5.517 5.578 0.078 15 0 "[ . 1 . 2 . 3 ]" 1 1497 1 56 CYS H 1 58 GLN H 5.140 . 5.140 3.751 3.645 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 1498 1 56 CYS HA 1 57 HIS HB2 4.760 . 4.760 4.256 4.191 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 1499 1 56 CYS HB2 1 57 HIS H 4.720 . 4.720 4.186 4.132 4.243 . 0 0 "[ . 1 . 2 . 3 ]" 1 1500 1 56 CYS HB3 1 57 HIS H 4.460 . 4.460 4.232 4.173 4.285 . 0 0 "[ . 1 . 2 . 3 ]" 1 1501 1 56 CYS HB3 1 58 GLN H 5.290 . 5.290 4.974 4.855 5.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 1502 1 57 HIS H 1 57 HIS HB2 4.050 . 4.050 3.510 3.443 3.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 1503 1 57 HIS H 1 57 HIS HB3 4.060 . 4.060 4.068 4.039 4.089 0.029 1 0 "[ . 1 . 2 . 3 ]" 1 1504 1 57 HIS H 1 58 GLN H 3.770 . 3.770 2.664 2.575 2.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 1505 1 57 HIS HA 1 57 HIS HD2 4.970 . 4.970 3.577 3.191 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 1506 1 57 HIS HB2 1 57 HIS HD2 3.900 . 3.900 3.792 3.689 3.898 . 0 0 "[ . 1 . 2 . 3 ]" 1 1507 1 57 HIS HB3 1 57 HIS HD2 3.600 . 3.600 2.706 2.660 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 1508 1 58 GLN H 1 58 GLN HB2 3.250 . 3.250 2.076 2.049 2.116 . 0 0 "[ . 1 . 2 . 3 ]" 1 1509 1 58 GLN H 1 58 GLN HB3 3.450 . 3.450 3.233 3.048 3.411 . 0 0 "[ . 1 . 2 . 3 ]" 1 1510 1 58 GLN H 1 58 GLN HG2 3.970 . 3.970 3.647 3.353 3.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 1511 1 58 GLN H 1 58 GLN HG3 4.570 . 4.570 4.080 3.716 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1512 1 58 GLN H 1 59 ASN H 4.750 . 4.750 4.610 4.578 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 1513 1 58 GLN HA 1 58 GLN HE21 4.300 . 4.300 4.081 3.829 4.455 0.155 11 0 "[ . 1 . 2 . 3 ]" 1 1514 1 58 GLN HA 1 58 GLN HG2 3.500 . 3.500 2.218 2.143 2.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 1515 1 58 GLN HA 1 58 GLN HG3 3.580 . 3.580 3.519 3.478 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 1516 1 58 GLN HA 1 59 ASN H 2.700 . 2.700 2.541 2.424 2.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 1517 1 58 GLN HA 1 59 ASN HB3 4.700 . 4.700 4.192 4.058 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 1518 1 58 GLN HA 1 59 ASN HD21 5.080 . 5.080 3.356 2.967 5.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 1519 1 58 GLN HA 1 60 ASP H 5.160 . 5.160 4.443 4.305 4.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 1520 1 58 GLN HB2 1 58 GLN HE21 4.020 . 4.020 3.296 2.981 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 1521 1 58 GLN HB2 1 58 GLN HG2 2.690 . 2.690 2.610 2.481 2.715 0.025 16 0 "[ . 1 . 2 . 3 ]" 1 1522 1 58 GLN HB2 1 59 ASN H 4.330 . 4.330 3.933 3.781 4.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 1523 1 58 GLN HB3 1 58 GLN HE21 4.020 . 4.020 1.938 1.621 2.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 1524 1 58 GLN HB3 1 59 ASN H 3.640 . 3.640 2.619 2.320 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1 1525 1 58 GLN HB3 1 60 ASP H 5.030 . 5.030 2.652 2.451 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 1526 1 58 GLN HE21 1 58 GLN HG3 3.350 . 3.350 2.663 2.355 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 1527 1 58 GLN HE21 1 59 ASN H 3.780 . 3.780 3.026 2.710 3.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 1528 1 58 GLN HE21 1 59 ASN HD21 4.850 . 4.850 4.892 4.794 4.928 0.078 27 0 "[ . 1 . 2 . 3 ]" 1 1529 1 58 GLN HE21 1 60 ASP H 4.500 . 4.500 2.421 2.047 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 1530 1 58 GLN HE21 1 61 VAL HA 4.310 . 4.310 4.250 3.858 4.378 0.068 30 0 "[ . 1 . 2 . 3 ]" 1 1531 1 58 GLN HE22 1 58 GLN HG3 3.760 . 3.760 3.659 3.515 3.774 0.014 6 0 "[ . 1 . 2 . 3 ]" 1 1532 1 58 GLN HE22 1 59 ASN H 4.060 . 4.060 3.054 2.647 3.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 1533 1 58 GLN HE22 1 59 ASN HD22 5.500 . 5.500 4.692 4.091 5.169 . 0 0 "[ . 1 . 2 . 3 ]" 1 1534 1 58 GLN HE22 1 60 ASP HA 5.430 . 5.430 4.372 3.839 5.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 1535 1 58 GLN HG2 1 59 ASN H 3.780 . 3.780 3.627 3.300 3.822 0.042 4 0 "[ . 1 . 2 . 3 ]" 1 1536 1 58 GLN HG2 1 60 ASP H 5.500 . 5.500 5.006 4.695 5.226 . 0 0 "[ . 1 . 2 . 3 ]" 1 1537 1 58 GLN HG3 1 59 ASN H 4.660 . 4.660 4.211 3.890 4.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 1538 1 58 GLN HG3 1 60 ASP H 5.480 . 5.480 4.724 4.320 5.086 . 0 0 "[ . 1 . 2 . 3 ]" 1 1539 1 59 ASN H 1 59 ASN HB2 4.020 . 4.020 3.892 3.775 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 1540 1 59 ASN H 1 59 ASN HB3 3.590 . 3.590 3.162 3.018 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1 1541 1 59 ASN H 1 59 ASN HD21 4.700 . 4.700 2.181 1.685 2.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 1542 1 59 ASN H 1 59 ASN HD22 4.480 . 4.480 3.364 3.091 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 1543 1 59 ASN H 1 60 ASP H 4.330 . 4.330 2.375 2.138 2.794 . 0 0 "[ . 1 . 2 . 3 ]" 1 1544 1 59 ASN HA 1 59 ASN HD22 5.380 . 5.380 5.024 4.889 5.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 1545 1 59 ASN HA 1 60 ASP H 3.510 . 3.510 2.940 2.734 3.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 1546 1 59 ASN HA 1 60 ASP HA 4.660 . 4.660 4.373 4.318 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1 1547 1 59 ASN HA 1 61 VAL H 5.100 . 5.100 3.982 3.807 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 1548 1 59 ASN HB2 1 60 ASP H 4.820 . 4.820 4.520 4.400 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 1549 1 59 ASN HB3 1 59 ASN HD22 3.980 . 3.980 3.625 3.515 4.082 0.102 10 0 "[ . 1 . 2 . 3 ]" 1 1550 1 59 ASN HB3 1 60 ASP H 4.790 . 4.790 4.581 4.494 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 1551 1 59 ASN HD21 1 60 ASP HB2 4.830 . 4.830 4.404 2.391 4.897 0.067 23 0 "[ . 1 . 2 . 3 ]" 1 1552 1 60 ASP H 1 60 ASP HB2 4.020 . 4.020 3.265 3.048 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 1553 1 60 ASP H 1 60 ASP HB3 4.020 . 4.020 3.076 2.965 3.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 1554 1 60 ASP H 1 61 VAL H 3.590 . 3.590 2.282 1.954 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 1555 1 60 ASP H 1 61 VAL HB 4.680 . 4.680 4.737 4.676 4.790 0.110 3 0 "[ . 1 . 2 . 3 ]" 1 1556 1 60 ASP HA 1 61 VAL H 3.470 . 3.470 2.786 2.480 2.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 1557 1 60 ASP HB2 1 61 VAL H 4.720 . 4.720 4.566 4.476 4.618 . 0 0 "[ . 1 . 2 . 3 ]" 1 1558 1 60 ASP HB3 1 61 VAL H 4.720 . 4.720 4.189 4.057 4.350 . 0 0 "[ . 1 . 2 . 3 ]" 1 1559 1 61 VAL H 1 61 VAL HB 3.680 . 3.680 3.034 2.962 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 1560 1 61 VAL H 1 62 SER H 4.670 . 4.670 4.410 4.236 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 1561 1 61 VAL HA 1 62 SER H 2.870 . 2.870 2.729 2.602 2.920 0.050 6 0 "[ . 1 . 2 . 3 ]" 1 1562 1 61 VAL HA 1 65 ALA MB 4.320 . 4.320 4.055 3.717 4.338 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 1563 1 61 VAL HB 1 62 SER H 4.070 . 4.070 2.446 2.016 2.740 . 0 0 "[ . 1 . 2 . 3 ]" 1 1564 1 62 SER H 1 62 SER HB2 3.800 . 3.800 3.132 2.933 3.910 0.110 10 0 "[ . 1 . 2 . 3 ]" 1 1565 1 62 SER H 1 62 SER QB 3.320 . 3.320 2.912 2.854 3.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 1566 1 62 SER H 1 62 SER HB3 3.800 . 3.800 3.737 3.024 3.954 0.154 30 0 "[ . 1 . 2 . 3 ]" 1 1567 1 62 SER H 1 63 PRO HD3 4.980 . 4.980 4.600 4.453 4.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 1568 1 62 SER H 1 64 ASP H 5.280 . 5.280 4.747 4.564 4.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1569 1 62 SER H 1 65 ALA MB 4.800 . 4.800 3.085 2.700 3.347 . 0 0 "[ . 1 . 2 . 3 ]" 1 1570 1 62 SER H 1 66 LEU QD 4.640 . 4.640 4.255 3.969 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 1571 1 62 SER HA 1 63 PRO HD2 3.330 . 3.330 2.555 2.374 2.948 . 0 0 "[ . 1 . 2 . 3 ]" 1 1572 1 62 SER HA 1 63 PRO HD3 3.330 . 3.330 2.167 1.897 2.261 . 0 0 "[ . 1 . 2 . 3 ]" 1 1573 1 62 SER HA 1 63 PRO HG2 5.490 . 5.490 4.574 4.480 4.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 1574 1 62 SER HA 1 63 PRO HG3 4.500 . 4.500 4.376 3.961 4.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 1575 1 62 SER HA 1 66 LEU QD 5.440 . 5.440 5.119 4.938 5.268 . 0 0 "[ . 1 . 2 . 3 ]" 1 1576 1 62 SER QB 1 63 PRO HD2 4.470 . 4.470 2.457 2.103 3.272 . 0 0 "[ . 1 . 2 . 3 ]" 1 1577 1 62 SER QB 1 63 PRO HD3 5.340 . 5.340 3.525 3.122 4.091 . 0 0 "[ . 1 . 2 . 3 ]" 1 1578 1 62 SER QB 1 64 ASP H 3.660 . 3.660 2.420 2.145 3.322 . 0 0 "[ . 1 . 2 . 3 ]" 1 1579 1 62 SER QB 1 64 ASP QB 4.120 . 4.120 3.080 2.678 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1 1580 1 62 SER QB 1 65 ALA H 3.860 . 3.860 2.963 2.643 3.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 1581 1 62 SER QB 1 65 ALA HA 5.340 . 5.340 4.753 4.368 5.062 . 0 0 "[ . 1 . 2 . 3 ]" 1 1582 1 62 SER QB 1 65 ALA MB 3.520 . 3.520 2.740 2.373 3.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 1583 1 62 SER HB2 1 64 ASP H 4.360 . 4.360 3.608 3.192 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 1584 1 62 SER HB2 1 65 ALA H 4.300 . 4.300 3.604 2.882 4.370 0.070 21 0 "[ . 1 . 2 . 3 ]" 1 1585 1 62 SER HB2 1 65 ALA MB 4.210 . 4.210 3.087 2.542 4.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 1586 1 62 SER HB3 1 64 ASP H 4.360 . 4.360 2.486 2.166 3.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 1587 1 62 SER HB3 1 65 ALA H 4.300 . 4.300 3.223 2.666 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 1588 1 62 SER HB3 1 65 ALA MB 4.210 . 4.210 3.521 2.401 4.032 . 0 0 "[ . 1 . 2 . 3 ]" 1 1589 1 63 PRO HA 1 65 ALA H 4.240 . 4.240 3.845 3.638 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1 1590 1 63 PRO HA 1 66 LEU H 4.180 . 4.180 3.968 3.777 4.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 1591 1 63 PRO HA 1 66 LEU MD1 3.510 . 3.510 2.294 2.159 2.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 1592 1 63 PRO HA 1 66 LEU QD 3.010 . 3.010 2.236 2.113 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 1 1593 1 63 PRO HA 1 66 LEU MD2 3.510 . 3.510 3.109 2.866 3.330 . 0 0 "[ . 1 . 2 . 3 ]" 1 1594 1 63 PRO HA 1 66 LEU HG 3.340 . 3.340 2.263 2.135 2.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 1595 1 63 PRO HB2 1 64 ASP H 4.020 . 4.020 3.767 3.304 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 1596 1 63 PRO HB2 1 64 ASP HA 5.060 . 5.060 4.312 4.061 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 1597 1 63 PRO HB2 1 64 ASP QB 5.200 . 5.200 4.603 4.174 4.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1598 1 63 PRO HB3 1 64 ASP H 4.500 . 4.500 4.389 4.326 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 1599 1 63 PRO HB3 1 66 LEU QD 4.170 . 4.170 3.206 2.803 3.459 . 0 0 "[ . 1 . 2 . 3 ]" 1 1600 1 63 PRO HD2 1 64 ASP H 3.990 . 3.990 2.640 2.475 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1 1601 1 63 PRO HD3 1 64 ASP H 4.190 . 4.190 3.825 3.659 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 1602 1 63 PRO HG2 1 64 ASP H 4.020 . 4.020 3.206 2.932 4.059 0.039 12 0 "[ . 1 . 2 . 3 ]" 1 1603 1 63 PRO HG3 1 64 ASP H 4.510 . 4.510 4.400 4.245 4.590 0.080 8 0 "[ . 1 . 2 . 3 ]" 1 1604 1 64 ASP H 1 64 ASP HB2 3.580 . 3.580 2.685 2.446 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 1605 1 64 ASP H 1 64 ASP HB3 3.580 . 3.580 2.575 2.327 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 1606 1 64 ASP H 1 65 ALA H 3.120 . 3.120 2.218 2.031 2.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 1607 1 64 ASP H 1 65 ALA HA 5.120 . 5.120 4.867 4.735 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 1608 1 64 ASP H 1 65 ALA MB 4.210 . 4.210 3.908 3.777 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 1609 1 64 ASP H 1 66 LEU H 4.420 . 4.420 3.992 3.683 4.183 . 0 0 "[ . 1 . 2 . 3 ]" 1 1610 1 64 ASP H 1 66 LEU MD1 5.500 . 5.500 4.772 4.642 4.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 1611 1 64 ASP H 1 66 LEU QD 5.210 . 5.210 4.427 4.319 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 1612 1 64 ASP H 1 66 LEU HG 4.920 . 4.920 4.204 4.022 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 1613 1 64 ASP HA 1 65 ALA H 3.540 . 3.540 3.383 3.265 3.449 . 0 0 "[ . 1 . 2 . 3 ]" 1 1614 1 64 ASP HA 1 66 LEU H 3.960 . 3.960 3.519 3.350 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 1615 1 64 ASP HA 1 66 LEU QD 5.410 . 5.410 4.443 4.310 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 1616 1 64 ASP HA 1 66 LEU HG 5.500 . 5.500 4.568 4.399 4.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 1617 1 64 ASP QB 1 65 ALA H 3.830 . 3.830 3.114 2.939 3.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 1618 1 64 ASP QB 1 65 ALA HA 4.690 . 4.690 4.265 4.087 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 1619 1 64 ASP QB 1 66 LEU H 5.240 . 5.240 4.634 4.550 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1 1620 1 64 ASP HB2 1 65 ALA H 4.520 . 4.520 4.125 3.960 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 1621 1 64 ASP HB3 1 65 ALA H 4.520 . 4.520 3.228 3.024 3.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 1622 1 65 ALA H 1 65 ALA MB 2.760 . 2.760 2.313 2.273 2.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 1623 1 65 ALA H 1 66 LEU H 3.290 . 3.290 2.484 2.254 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 1624 1 65 ALA H 1 66 LEU HB2 4.930 . 4.930 4.772 4.586 4.933 0.003 1 0 "[ . 1 . 2 . 3 ]" 1 1625 1 65 ALA H 1 66 LEU MD1 5.290 . 5.290 4.723 4.472 4.927 . 0 0 "[ . 1 . 2 . 3 ]" 1 1626 1 65 ALA H 1 66 LEU QD 4.260 . 4.260 4.009 3.795 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 1627 1 65 ALA H 1 66 LEU MD2 5.290 . 5.290 4.339 4.052 4.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 1628 1 65 ALA H 1 66 LEU HG 3.800 . 3.800 3.451 3.147 3.678 . 0 0 "[ . 1 . 2 . 3 ]" 1 1629 1 65 ALA MB 1 66 LEU H 3.520 . 3.520 3.397 3.219 3.469 . 0 0 "[ . 1 . 2 . 3 ]" 1 1630 1 65 ALA MB 1 66 LEU HG 4.580 . 4.580 4.231 4.081 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1 1631 1 66 LEU H 1 66 LEU HB2 3.310 . 3.310 2.484 2.412 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 1632 1 66 LEU H 1 66 LEU HB3 3.780 . 3.780 3.594 3.581 3.606 . 0 0 "[ . 1 . 2 . 3 ]" 1 1633 1 66 LEU H 1 66 LEU MD1 3.860 . 3.860 3.594 3.503 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 1634 1 66 LEU H 1 66 LEU MD2 3.860 . 3.860 3.365 3.239 3.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 1635 1 66 LEU H 1 66 LEU HG 3.280 . 3.280 2.298 2.141 2.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 1636 1 66 LEU H 1 67 ILE H 4.650 . 4.650 4.473 4.363 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 1637 1 66 LEU H 1 67 ILE MD 5.450 . 5.450 5.472 5.269 5.512 0.062 32 0 "[ . 1 . 2 . 3 ]" 1 1638 1 66 LEU HA 1 66 LEU MD1 4.070 . 4.070 3.875 3.857 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 1639 1 66 LEU HA 1 66 LEU QD 3.000 . 3.000 2.069 2.030 2.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 1640 1 66 LEU HA 1 66 LEU MD2 4.070 . 4.070 2.077 2.037 2.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 1641 1 66 LEU HA 1 67 ILE H 3.270 . 3.270 2.134 2.110 2.186 . 0 0 "[ . 1 . 2 . 3 ]" 1 1642 1 66 LEU HB2 1 66 LEU MD1 3.610 . 3.610 2.314 2.294 2.330 . 0 0 "[ . 1 . 2 . 3 ]" 1 1643 1 66 LEU HB2 1 66 LEU MD2 3.610 . 3.610 3.199 3.194 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 1644 1 66 LEU HB2 1 67 ILE H 4.620 . 4.620 4.227 4.062 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 1645 1 66 LEU HB3 1 66 LEU MD1 3.290 . 3.290 2.404 2.383 2.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 1646 1 66 LEU HB3 1 66 LEU MD2 3.290 . 3.290 2.341 2.310 2.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 1647 1 66 LEU HB3 1 67 ILE H 4.290 . 4.290 3.379 3.142 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 1648 1 66 LEU QD 1 67 ILE H 3.830 . 3.830 3.583 3.430 3.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 1649 1 66 LEU MD1 1 67 ILE H 5.310 . 5.310 5.150 4.971 5.320 0.010 14 0 "[ . 1 . 2 . 3 ]" 1 1650 1 66 LEU MD2 1 67 ILE H 5.310 . 5.310 3.656 3.492 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 1651 1 67 ILE H 1 67 ILE HB 3.520 . 3.520 2.953 2.898 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 1652 1 67 ILE H 1 67 ILE MD 3.300 . 3.300 2.231 2.019 2.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 1653 1 67 ILE H 1 68 ALA H 4.600 . 4.600 4.542 4.512 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 1654 1 67 ILE HA 1 67 ILE MD 3.900 . 3.900 3.890 3.817 3.924 0.024 13 0 "[ . 1 . 2 . 3 ]" 1 1655 1 67 ILE HA 1 68 ALA H 2.830 . 2.830 2.518 2.453 2.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 1656 1 67 ILE HA 1 68 ALA HA 4.570 . 4.570 4.338 4.318 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 1657 1 67 ILE HA 1 68 ALA MB 4.150 . 4.150 3.998 3.952 4.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 1658 1 67 ILE HB 1 67 ILE MD 2.810 . 2.810 2.223 2.212 2.248 . 0 0 "[ . 1 . 2 . 3 ]" 1 1659 1 67 ILE HB 1 68 ALA H 3.780 . 3.780 2.958 2.850 3.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 1660 1 67 ILE HB 2 33 GLY HA2 5.500 . 5.500 3.010 2.843 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 1661 1 67 ILE HB 2 33 GLY HA3 5.500 . 5.500 3.504 3.377 3.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 1662 1 67 ILE MD 1 68 ALA H 4.920 . 4.920 4.637 4.563 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 1663 1 67 ILE MD 1 69 ASN HB2 5.500 . 5.500 5.169 4.993 5.314 . 0 0 "[ . 1 . 2 . 3 ]" 1 1664 1 67 ILE MD 2 30 PRO HA 4.060 . 4.060 2.524 2.273 2.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 1665 1 67 ILE MD 2 33 GLY HA2 4.230 . 4.230 3.788 3.633 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 1666 1 67 ILE MD 2 33 GLY HA3 4.970 . 4.970 4.817 4.656 5.035 0.065 30 0 "[ . 1 . 2 . 3 ]" 1 1667 1 68 ALA H 1 68 ALA MB 2.730 . 2.730 2.341 2.183 2.380 . 0 0 "[ . 1 . 2 . 3 ]" 1 1668 1 68 ALA H 1 69 ASN H 5.500 . 5.500 4.258 4.207 4.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 1669 1 68 ALA H 1 69 ASN HA 5.500 . 5.500 5.007 4.957 5.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 1670 1 68 ALA H 2 30 PRO HA 5.500 . 5.500 5.543 5.503 5.585 0.085 10 0 "[ . 1 . 2 . 3 ]" 1 1671 1 68 ALA HA 1 69 ASN H 3.350 . 3.350 2.156 2.126 2.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 1672 1 68 ALA HA 1 69 ASN HA 4.540 . 4.540 4.415 4.404 4.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 1673 1 68 ALA HA 1 69 ASN HB2 4.850 . 4.850 4.536 4.455 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 1674 1 68 ALA HA 1 73 ARG HE 5.120 . 5.120 3.607 2.743 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 1675 1 68 ALA MB 1 69 ASN H 3.650 . 3.650 3.388 3.341 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1 1676 1 68 ALA MB 1 69 ASN HB2 5.500 . 5.500 5.338 5.299 5.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 1677 1 68 ALA MB 1 70 LYS H 4.440 . 4.440 3.740 3.589 3.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 1678 1 68 ALA MB 1 70 LYS HA 4.830 . 4.830 4.219 4.129 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 1679 1 68 ALA MB 1 70 LYS QB 4.840 . 4.840 4.468 3.786 4.913 0.073 8 0 "[ . 1 . 2 . 3 ]" 1 1680 1 68 ALA MB 1 73 ARG HD2 5.270 . 5.270 3.820 3.163 4.932 . 0 0 "[ . 1 . 2 . 3 ]" 1 1681 1 68 ALA MB 1 73 ARG HD3 5.270 . 5.270 4.170 3.607 4.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 1682 1 68 ALA MB 1 73 ARG HE 4.080 . 4.080 3.496 2.296 4.107 0.027 20 0 "[ . 1 . 2 . 3 ]" 1 1683 1 68 ALA MB 2 32 CYS HA 5.050 . 5.050 4.307 4.186 4.473 . 0 0 "[ . 1 . 2 . 3 ]" 1 1684 1 68 ALA MB 2 33 GLY HA2 5.170 . 5.170 4.771 4.555 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 1685 1 68 ALA MB 2 33 GLY HA3 4.900 . 4.900 3.373 3.142 3.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 1686 1 69 ASN H 1 69 ASN HB2 4.180 . 4.180 2.537 2.476 2.635 . 0 0 "[ . 1 . 2 . 3 ]" 1 1687 1 69 ASN H 1 69 ASN HB3 4.210 . 4.210 2.716 2.624 2.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 1688 1 69 ASN H 1 70 LYS HG2 5.500 . 5.500 5.688 5.539 5.810 0.310 9 0 "[ . 1 . 2 . 3 ]" 1 1689 1 69 ASN HA 1 70 LYS H 3.440 . 3.440 2.252 2.129 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 1690 1 69 ASN HA 1 70 LYS HA 4.750 . 4.750 4.520 4.458 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 1691 1 69 ASN HA 1 70 LYS QB 4.770 . 4.770 4.395 3.971 4.843 0.073 21 0 "[ . 1 . 2 . 3 ]" 1 1692 1 69 ASN HA 1 70 LYS HG2 5.350 . 5.350 4.585 3.771 5.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 1693 1 69 ASN HA 1 70 LYS HG3 4.820 . 4.820 4.483 3.895 4.884 0.064 8 0 "[ . 1 . 2 . 3 ]" 1 1694 1 69 ASN HB2 1 72 LEU HB2 5.250 . 5.250 3.450 3.289 3.913 . 0 0 "[ . 1 . 2 . 3 ]" 1 1695 1 69 ASN HB2 1 72 LEU HB3 5.500 . 5.500 4.317 3.909 4.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 1696 1 69 ASN HB2 1 73 ARG H 5.500 . 5.500 5.359 5.195 5.528 0.028 9 0 "[ . 1 . 2 . 3 ]" 1 1697 1 69 ASN HB3 1 70 LYS H 4.930 . 4.930 4.370 4.330 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 1698 1 69 ASN HB3 1 72 LEU HA 5.500 . 5.500 4.760 4.619 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 1699 1 69 ASN HB3 1 72 LEU HB2 4.620 . 4.620 2.114 1.925 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 1700 1 69 ASN HB3 1 72 LEU HB3 4.620 . 4.620 2.648 2.186 3.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 1701 1 69 ASN HB3 1 72 LEU MD1 4.750 . 4.750 4.225 3.594 4.458 . 0 0 "[ . 1 . 2 . 3 ]" 1 1702 1 69 ASN HB3 1 72 LEU QD 4.100 . 4.100 3.597 3.438 3.821 . 0 0 "[ . 1 . 2 . 3 ]" 1 1703 1 69 ASN HB3 1 72 LEU MD2 4.750 . 4.750 3.942 3.709 4.553 . 0 0 "[ . 1 . 2 . 3 ]" 1 1704 1 69 ASN HB3 1 73 ARG H 4.530 . 4.530 3.666 3.488 3.894 . 0 0 "[ . 1 . 2 . 3 ]" 1 1705 1 69 ASN HD21 1 72 LEU HA 5.440 . 5.440 4.817 4.587 4.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 1706 1 69 ASN HD21 1 72 LEU HB2 4.120 . 4.120 2.550 2.248 2.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 1707 1 69 ASN HD21 1 72 LEU HB3 4.470 . 4.470 3.829 3.428 4.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 1708 1 69 ASN HD21 1 72 LEU MD1 4.890 . 4.890 4.264 4.104 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 1709 1 69 ASN HD21 1 72 LEU MD2 4.890 . 4.890 2.816 2.461 3.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 1710 1 69 ASN HD21 1 72 LEU HG 4.960 . 4.960 2.714 2.491 3.110 . 0 0 "[ . 1 . 2 . 3 ]" 1 1711 1 69 ASN HD21 1 73 ARG H 5.410 . 5.410 5.532 5.468 5.581 0.171 29 0 "[ . 1 . 2 . 3 ]" 1 1712 1 69 ASN HD21 2 71 PHE QD 5.490 . 5.490 4.733 4.284 4.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 1713 1 69 ASN HD22 1 72 LEU MD1 5.460 . 5.460 4.756 4.605 5.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 1714 1 69 ASN HD22 1 72 LEU MD2 5.390 . 5.390 2.439 2.017 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 1715 1 69 ASN HD22 2 71 PHE QD 5.500 . 5.500 4.791 4.410 5.037 . 0 0 "[ . 1 . 2 . 3 ]" 1 1716 1 70 LYS H 1 70 LYS QB 3.070 . 3.070 2.499 2.206 2.774 . 0 0 "[ . 1 . 2 . 3 ]" 1 1717 1 70 LYS H 1 70 LYS HD2 5.190 . 5.190 4.683 3.967 5.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 1718 1 70 LYS H 1 70 LYS HD3 5.190 . 5.190 4.604 4.152 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 1719 1 70 LYS H 1 70 LYS HG2 3.830 . 3.830 2.528 1.806 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 1720 1 70 LYS H 1 70 LYS HG3 3.830 . 3.830 2.617 2.256 2.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 1721 1 70 LYS H 1 73 ARG HE 5.420 . 5.420 5.178 3.959 5.458 0.038 7 0 "[ . 1 . 2 . 3 ]" 1 1722 1 70 LYS HA 1 70 LYS HG2 3.920 . 3.920 2.836 2.156 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1 1723 1 70 LYS HA 1 70 LYS HG3 3.920 . 3.920 3.535 3.397 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 1724 1 70 LYS HA 1 71 PHE HA 5.300 . 5.300 4.787 4.736 4.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 1725 1 70 LYS HA 1 71 PHE QD 5.500 . 5.500 4.516 4.220 5.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 1726 1 70 LYS HA 1 73 ARG H 4.470 . 4.470 3.695 3.097 4.169 . 0 0 "[ . 1 . 2 . 3 ]" 1 1727 1 70 LYS HA 1 73 ARG QB 5.160 . 5.160 3.200 2.151 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 1728 1 70 LYS HA 1 73 ARG HD2 4.920 . 4.920 2.583 1.800 4.974 0.054 8 0 "[ . 1 . 2 . 3 ]" 1 1729 1 70 LYS HA 1 73 ARG HD3 4.370 . 4.370 3.353 1.836 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 1730 1 70 LYS HA 1 73 ARG HE 4.900 . 4.900 4.377 2.435 4.933 0.033 25 0 "[ . 1 . 2 . 3 ]" 1 1731 1 70 LYS HA 1 74 GLN H 4.530 . 4.530 4.185 3.644 4.545 0.015 27 0 "[ . 1 . 2 . 3 ]" 1 1732 1 70 LYS QB 1 70 LYS HD3 3.560 . 3.560 2.993 2.607 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 1733 1 70 LYS QB 1 70 LYS QE 4.270 . 4.270 1.868 1.738 2.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 1734 1 70 LYS QB 1 71 PHE HA 4.720 . 4.720 3.868 3.621 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 1735 1 70 LYS QB 1 71 PHE QD 4.660 . 4.660 2.730 1.963 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 1736 1 70 LYS QB 1 71 PHE QE 5.500 . 5.500 3.764 2.857 4.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 1737 1 70 LYS QB 2 34 ASN HA 5.410 . 5.410 3.697 2.460 5.315 . 0 0 "[ . 1 . 2 . 3 ]" 1 1738 1 70 LYS HE2 1 70 LYS HG2 3.890 . 3.890 3.195 2.684 3.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 1739 1 70 LYS HE2 1 70 LYS HG3 4.220 . 4.220 3.156 2.341 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 1740 1 70 LYS HE3 1 70 LYS HG2 3.890 . 3.890 3.851 3.481 4.189 0.299 18 0 "[ . 1 . 2 . 3 ]" 1 1741 1 70 LYS HE3 1 70 LYS HG3 4.220 . 4.220 3.896 2.815 4.240 0.020 7 0 "[ . 1 . 2 . 3 ]" 1 1742 1 70 LYS HG2 1 71 PHE QD 5.500 . 5.500 4.445 3.148 5.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 1743 1 70 LYS HG2 1 73 ARG HD3 5.500 . 5.500 5.411 4.824 5.599 0.099 6 0 "[ . 1 . 2 . 3 ]" 1 1744 1 70 LYS HG2 2 33 GLY HA3 5.130 . 5.130 4.517 3.946 5.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 1745 1 70 LYS HG2 2 34 ASN H 5.500 . 5.500 5.170 4.423 5.557 0.057 19 0 "[ . 1 . 2 . 3 ]" 1 1746 1 70 LYS HG3 1 71 PHE QD 5.500 . 5.500 3.436 1.849 5.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 1747 1 70 LYS HG3 2 33 GLY HA3 5.500 . 5.500 4.491 3.896 5.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 1748 1 70 LYS HG3 2 35 SER H 5.500 . 5.500 5.255 4.449 5.638 0.138 7 0 "[ . 1 . 2 . 3 ]" 1 1749 1 71 PHE HA 1 71 PHE QD 3.760 . 3.760 2.695 1.861 3.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 1750 1 71 PHE HA 1 71 PHE QE 4.630 . 4.630 4.524 4.228 4.646 0.016 4 0 "[ . 1 . 2 . 3 ]" 1 1751 1 71 PHE HA 1 74 GLN H 4.280 . 4.280 3.534 3.403 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1 1752 1 71 PHE HA 1 74 GLN QB 3.510 . 3.510 2.594 2.394 2.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 1753 1 71 PHE HA 1 74 GLN HG2 5.500 . 5.500 4.001 2.882 4.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 1754 1 71 PHE HA 1 74 GLN HG3 5.320 . 5.320 4.068 3.411 5.348 0.028 23 0 "[ . 1 . 2 . 3 ]" 1 1755 1 71 PHE HA 1 75 ALA H 4.570 . 4.570 4.006 3.781 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1 1756 1 71 PHE HB2 2 72 LEU MD2 4.860 . 4.860 2.342 1.996 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 1757 1 71 PHE HB3 2 72 LEU MD2 5.200 . 5.200 2.151 1.914 2.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 1758 1 71 PHE QD 1 74 GLN H 5.500 . 5.500 5.431 4.996 5.582 0.082 18 0 "[ . 1 . 2 . 3 ]" 1 1759 1 71 PHE QD 1 74 GLN QB 5.320 . 5.320 4.613 3.512 4.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 1760 1 71 PHE QD 1 75 ALA MB 5.500 . 5.500 5.550 5.411 5.656 0.156 22 0 "[ . 1 . 2 . 3 ]" 1 1761 1 71 PHE QD 2 13 GLU HA 4.370 . 4.370 3.282 2.935 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 1762 1 71 PHE QD 2 14 LEU HA 5.250 . 5.250 2.496 2.037 4.386 . 0 0 "[ . 1 . 2 . 3 ]" 1 1763 1 71 PHE QD 2 17 LEU QD 4.910 . 4.910 4.311 4.104 4.567 . 0 0 "[ . 1 . 2 . 3 ]" 1 1764 1 71 PHE QD 2 23 MET ME 5.310 . 5.310 3.214 2.779 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1 1765 1 71 PHE QD 2 34 ASN HA 5.150 . 5.150 3.321 2.860 4.469 . 0 0 "[ . 1 . 2 . 3 ]" 1 1766 1 71 PHE QD 2 69 ASN HD21 5.490 . 5.490 4.631 3.802 4.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 1767 1 71 PHE QD 2 69 ASN HD22 5.500 . 5.500 4.697 4.155 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 1768 1 71 PHE QD 2 72 LEU HB2 5.500 . 5.500 4.936 3.502 5.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 1769 1 71 PHE QD 2 72 LEU MD1 4.700 . 4.700 2.566 2.016 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 1770 1 71 PHE QD 2 72 LEU MD2 4.540 . 4.540 1.926 1.701 2.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 1771 1 71 PHE QD 2 72 LEU HG 5.140 . 5.140 3.263 2.129 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 1772 1 71 PHE QE 2 12 ASP QB 5.500 . 5.500 4.960 4.173 5.546 0.046 11 0 "[ . 1 . 2 . 3 ]" 1 1773 1 71 PHE QE 2 15 LEU H 4.500 . 4.500 3.016 2.419 4.515 0.015 22 0 "[ . 1 . 2 . 3 ]" 1 1774 1 71 PHE QE 2 16 CYS H 5.500 . 5.500 4.744 4.349 5.722 0.222 22 0 "[ . 1 . 2 . 3 ]" 1 1775 1 71 PHE QE 2 17 LEU H 5.460 . 5.460 4.551 4.306 4.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 1776 1 71 PHE QE 2 17 LEU MD1 4.700 . 4.700 3.176 2.586 4.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 1777 1 71 PHE QE 2 17 LEU QD 3.570 . 3.570 2.679 2.435 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 1778 1 71 PHE QE 2 17 LEU MD2 4.700 . 4.700 3.004 2.521 4.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 1779 1 71 PHE QE 2 17 LEU HG 4.580 . 4.580 4.070 3.673 4.682 0.102 16 0 "[ . 1 . 2 . 3 ]" 1 1780 1 71 PHE QE 2 23 MET ME 4.710 . 4.710 2.290 1.815 3.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 1781 1 71 PHE QE 2 26 ALA MB 5.500 . 5.500 4.764 4.461 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 1782 1 71 PHE QE 2 34 ASN HA 5.500 . 5.500 3.042 2.259 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 1783 1 71 PHE QE 2 72 LEU MD1 5.500 . 5.500 3.232 2.788 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 1784 1 71 PHE QE 2 72 LEU QD 4.570 . 4.570 2.951 2.627 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 1785 1 71 PHE QE 2 72 LEU MD2 5.500 . 5.500 3.658 2.664 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 1786 1 71 PHE QE 2 72 LEU HG 5.500 . 5.500 4.242 3.320 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 1787 1 71 PHE HZ 2 17 LEU QD 3.790 . 3.790 2.312 1.972 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 1788 1 71 PHE HZ 2 17 LEU HG 5.500 . 5.500 3.000 2.568 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 1789 1 72 LEU HA 1 72 LEU MD1 3.900 . 3.900 2.457 2.241 3.213 . 0 0 "[ . 1 . 2 . 3 ]" 1 1790 1 72 LEU HA 1 72 LEU QD 3.380 . 3.380 1.933 1.841 2.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 1791 1 72 LEU HA 1 72 LEU MD2 3.900 . 3.900 2.036 1.911 2.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 1792 1 72 LEU HA 1 74 GLN H 5.220 . 5.220 4.332 4.043 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 1793 1 72 LEU HA 1 75 ALA H 4.120 . 4.120 3.580 3.476 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 1794 1 72 LEU HA 1 75 ALA MB 3.350 . 3.350 2.808 2.613 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 1795 1 72 LEU HA 1 76 VAL H 5.460 . 5.460 4.094 3.965 4.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 1796 1 72 LEU HB2 1 73 ARG H 4.240 . 4.240 3.141 2.914 3.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 1797 1 72 LEU HB2 2 71 PHE QD 5.500 . 5.500 4.976 4.015 5.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 1798 1 72 LEU HB3 1 73 ARG H 4.240 . 4.240 2.322 2.186 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 1 1799 1 72 LEU HB3 1 74 GLN H 5.080 . 5.080 4.769 4.516 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 1800 1 72 LEU QD 1 73 ARG H 4.260 . 4.260 3.556 2.786 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 1801 1 72 LEU QD 1 75 ALA MB 3.700 . 3.700 2.958 2.807 3.148 . 0 0 "[ . 1 . 2 . 3 ]" 1 1802 1 72 LEU QD 2 71 PHE QE 4.570 . 4.570 2.941 2.645 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 1 1803 1 72 LEU MD1 1 73 ARG H 5.500 . 5.500 3.754 2.827 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 1804 1 72 LEU MD1 1 75 ALA H 5.390 . 5.390 4.664 4.524 4.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 1805 1 72 LEU MD1 1 75 ALA MB 4.400 . 4.400 3.304 3.050 4.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 1806 1 72 LEU MD1 1 76 VAL H 5.500 . 5.500 3.671 3.417 3.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 1807 1 72 LEU MD1 2 71 PHE QD 4.700 . 4.700 2.521 1.948 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 1808 1 72 LEU MD1 2 71 PHE QE 5.500 . 5.500 3.225 2.730 4.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 1809 1 72 LEU MD2 1 73 ARG H 5.500 . 5.500 4.442 4.208 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 1810 1 72 LEU MD2 1 75 ALA H 5.390 . 5.390 4.923 4.561 5.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 1811 1 72 LEU MD2 1 75 ALA MB 4.120 . 4.120 3.409 3.018 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 1812 1 72 LEU MD2 1 76 VAL H 5.500 . 5.500 4.924 3.801 5.353 . 0 0 "[ . 1 . 2 . 3 ]" 1 1813 1 72 LEU MD2 2 71 PHE HB2 4.860 . 4.860 2.275 1.990 3.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 1814 1 72 LEU MD2 2 71 PHE HB3 5.200 . 5.200 2.176 1.931 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1 1815 1 72 LEU MD2 2 71 PHE QD 4.540 . 4.540 1.903 1.727 2.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 1816 1 72 LEU MD2 2 71 PHE QE 5.500 . 5.500 3.629 2.678 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 1817 1 72 LEU HG 2 71 PHE QD 5.140 . 5.140 3.312 2.799 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 1818 1 72 LEU HG 2 71 PHE QE 5.500 . 5.500 4.254 3.832 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 1819 1 73 ARG H 1 73 ARG QB 3.800 . 3.800 2.547 2.367 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 1 1820 1 73 ARG H 1 73 ARG HD2 4.610 . 4.610 3.272 2.273 4.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 1821 1 73 ARG H 1 73 ARG HD3 5.500 . 5.500 4.036 2.290 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 1 1822 1 73 ARG H 1 73 ARG HE 5.500 . 5.500 4.329 3.150 4.857 . 0 0 "[ . 1 . 2 . 3 ]" 1 1823 1 73 ARG H 1 73 ARG HG2 3.640 . 3.640 3.177 1.670 3.710 0.070 6 0 "[ . 1 . 2 . 3 ]" 1 1824 1 73 ARG H 1 74 GLN H 3.790 . 3.790 2.763 2.659 2.847 . 0 0 "[ . 1 . 2 . 3 ]" 1 1825 1 73 ARG H 1 74 GLN QB 4.870 . 4.870 4.608 4.342 4.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1826 1 73 ARG H 1 75 ALA H 4.850 . 4.850 4.355 4.239 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1 1827 1 73 ARG HA 1 73 ARG HG2 4.200 . 4.200 2.983 2.652 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 1828 1 73 ARG HA 1 73 ARG HG3 4.250 . 4.250 3.135 2.544 4.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 1829 1 73 ARG HA 1 75 ALA H 5.500 . 5.500 4.601 4.421 4.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 1830 1 73 ARG HA 1 76 VAL H 4.350 . 4.350 3.598 3.243 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 1831 1 73 ARG HA 1 76 VAL HA 5.500 . 5.500 5.486 4.982 5.616 0.116 14 0 "[ . 1 . 2 . 3 ]" 1 1832 1 73 ARG HA 1 76 VAL HB 4.730 . 4.730 2.705 2.284 2.881 . 0 0 "[ . 1 . 2 . 3 ]" 1 1833 1 73 ARG HA 1 77 ASN H 4.820 . 4.820 4.138 3.886 4.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 1834 1 73 ARG QB 1 73 ARG HE 4.400 . 4.400 3.801 2.168 4.184 . 0 0 "[ . 1 . 2 . 3 ]" 1 1835 1 73 ARG QB 1 77 ASN QB 5.340 . 5.340 4.479 4.168 4.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 1836 1 74 GLN H 1 74 GLN QB 2.980 . 2.980 2.232 2.047 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1 1837 1 74 GLN H 1 74 GLN HE21 5.110 . 5.110 4.001 2.672 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 1838 1 74 GLN H 1 74 GLN HG2 5.070 . 5.070 3.077 2.371 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 1839 1 74 GLN H 1 74 GLN HG3 4.500 . 4.500 4.021 3.676 4.551 0.051 22 0 "[ . 1 . 2 . 3 ]" 1 1840 1 74 GLN H 1 75 ALA H 3.510 . 3.510 2.622 2.473 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 1841 1 74 GLN H 1 75 ALA HA 5.500 . 5.500 5.236 5.117 5.296 . 0 0 "[ . 1 . 2 . 3 ]" 1 1842 1 74 GLN H 1 75 ALA MB 4.570 . 4.570 4.254 4.067 4.325 . 0 0 "[ . 1 . 2 . 3 ]" 1 1843 1 74 GLN H 1 76 VAL H 4.630 . 4.630 4.119 3.825 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 1844 1 74 GLN H 1 77 ASN H 5.310 . 5.310 4.765 4.647 4.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 1845 1 74 GLN HA 1 74 GLN HE21 4.070 . 4.070 2.572 2.153 3.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 1846 1 74 GLN HA 1 74 GLN HE22 4.800 . 4.800 3.235 2.887 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 1847 1 74 GLN HA 1 74 GLN HG2 4.050 . 4.050 2.992 2.463 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 1848 1 74 GLN HA 1 74 GLN HG3 3.840 . 3.840 3.496 2.692 3.740 . 0 0 "[ . 1 . 2 . 3 ]" 1 1849 1 74 GLN HA 1 76 VAL H 4.850 . 4.850 4.516 4.353 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 1850 1 74 GLN HA 1 77 ASN QB 3.950 . 3.950 2.703 2.363 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 1851 1 74 GLN HA 1 77 ASN HD21 4.140 . 4.140 2.559 2.152 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 1852 1 74 GLN HA 1 77 ASN HD22 4.140 . 4.140 3.975 3.504 4.235 0.095 8 0 "[ . 1 . 2 . 3 ]" 1 1853 1 74 GLN HA 1 78 ASN H 4.790 . 4.790 4.262 4.059 4.460 . 0 0 "[ . 1 . 2 . 3 ]" 1 1854 1 74 GLN QB 1 74 GLN HE21 3.990 . 3.990 2.876 1.645 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 1855 1 74 GLN QB 1 75 ALA H 3.300 . 3.300 2.509 2.347 2.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 1856 1 74 GLN QB 1 75 ALA HA 5.350 . 5.350 3.837 3.718 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 1857 1 74 GLN QB 1 75 ALA MB 4.550 . 4.550 3.796 3.652 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 1858 1 74 GLN QB 1 76 VAL H 5.440 . 5.440 4.699 4.567 4.793 . 0 0 "[ . 1 . 2 . 3 ]" 1 1859 1 74 GLN QB 1 77 ASN H 5.500 . 5.500 4.928 4.762 5.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 1860 1 74 GLN QB 1 77 ASN QB 5.340 . 5.340 4.525 3.990 4.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 1861 1 74 GLN QB 1 78 ASN H 5.500 . 5.500 4.884 4.675 5.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 1862 1 74 GLN QB 1 78 ASN QB 5.500 . 5.500 4.526 4.139 5.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 1863 1 74 GLN HE21 1 74 GLN HG2 3.260 . 3.260 2.732 2.191 3.443 0.183 5 0 "[ . 1 . 2 . 3 ]" 1 1864 1 74 GLN HE21 1 75 ALA H 5.500 . 5.500 5.138 4.263 5.535 0.035 17 0 "[ . 1 . 2 . 3 ]" 1 1865 1 74 GLN HE21 1 77 ASN QB 5.250 . 5.250 4.229 3.421 5.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 1866 1 74 GLN HE22 1 74 GLN HG2 3.810 . 3.810 3.700 3.469 4.008 0.198 5 0 "[ . 1 . 2 . 3 ]" 1 1867 1 74 GLN HE22 1 77 ASN QB 4.830 . 4.830 4.197 3.387 4.885 0.055 22 0 "[ . 1 . 2 . 3 ]" 1 1868 1 75 ALA H 1 75 ALA MB 2.990 . 2.990 2.211 2.102 2.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 1869 1 75 ALA H 1 76 VAL H 3.810 . 3.810 2.764 2.670 2.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 1870 1 75 ALA H 1 76 VAL HA 5.420 . 5.420 5.364 5.293 5.405 . 0 0 "[ . 1 . 2 . 3 ]" 1 1871 1 75 ALA H 1 76 VAL HB 5.500 . 5.500 4.767 4.635 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 1872 1 75 ALA H 1 77 ASN H 5.370 . 5.370 4.263 4.128 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 1873 1 75 ALA H 1 78 ASN QB 5.500 . 5.500 4.908 4.623 5.074 . 0 0 "[ . 1 . 2 . 3 ]" 1 1874 1 75 ALA H 2 13 GLU QB 5.340 . 5.340 2.576 2.357 3.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 1875 1 75 ALA HA 1 76 VAL HA 4.940 . 4.940 4.843 4.799 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 1876 1 75 ALA HA 1 77 ASN H 5.030 . 5.030 4.536 4.375 4.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 1877 1 75 ALA HA 1 78 ASN H 4.090 . 4.090 3.565 3.424 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 1878 1 75 ALA HA 1 78 ASN QB 3.610 . 3.610 2.874 2.479 3.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 1879 1 75 ALA HA 1 78 ASN HD21 4.320 . 4.320 2.856 2.074 3.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 1880 1 75 ALA HA 1 78 ASN HD22 4.980 . 4.980 4.437 3.535 5.050 0.070 4 0 "[ . 1 . 2 . 3 ]" 1 1881 1 75 ALA HA 2 13 GLU HG2 5.000 . 5.000 4.417 1.936 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 1882 1 75 ALA MB 1 76 VAL H 3.460 . 3.460 2.410 2.318 2.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 1883 1 75 ALA MB 1 76 VAL HA 4.100 . 4.100 3.795 3.726 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 1884 1 75 ALA MB 1 77 ASN H 5.010 . 5.010 4.550 4.450 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 1885 1 75 ALA MB 1 78 ASN H 5.180 . 5.180 4.651 4.568 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 1886 1 75 ALA MB 1 78 ASN QB 4.880 . 4.880 4.267 3.880 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 1887 1 75 ALA MB 1 79 PHE QB 5.500 . 5.500 3.910 3.763 4.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 1888 1 75 ALA MB 2 13 GLU HB2 4.780 . 4.780 2.220 1.946 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 1 1889 1 75 ALA MB 2 13 GLU QB 4.040 . 4.040 2.128 1.885 2.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 1890 1 75 ALA MB 2 13 GLU HB3 4.770 . 4.770 3.063 1.991 4.328 . 0 0 "[ . 1 . 2 . 3 ]" 1 1891 1 75 ALA MB 2 13 GLU HG2 5.340 . 5.340 4.170 2.442 4.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 1892 1 75 ALA MB 2 13 GLU HG3 4.260 . 4.260 3.010 2.547 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 1893 1 76 VAL H 1 76 VAL HB 3.460 . 3.460 2.389 2.317 2.459 . 0 0 "[ . 1 . 2 . 3 ]" 1 1894 1 76 VAL H 1 77 ASN H 3.580 . 3.580 2.775 2.699 2.861 . 0 0 "[ . 1 . 2 . 3 ]" 1 1895 1 76 VAL HA 1 77 ASN HA 5.230 . 5.230 4.806 4.763 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 1896 1 76 VAL HA 1 78 ASN H 4.880 . 4.880 4.453 4.369 4.576 . 0 0 "[ . 1 . 2 . 3 ]" 1 1897 1 76 VAL HA 1 78 ASN QB 5.500 . 5.500 5.419 5.145 5.601 0.101 27 0 "[ . 1 . 2 . 3 ]" 1 1898 1 76 VAL HA 1 79 PHE H 4.090 . 4.090 3.638 3.516 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1 1899 1 76 VAL HA 1 79 PHE HA 5.500 . 5.500 5.474 5.360 5.573 0.073 22 0 "[ . 1 . 2 . 3 ]" 1 1900 1 76 VAL HA 1 79 PHE QB 3.810 . 3.810 2.548 2.426 2.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 1901 1 76 VAL HA 1 79 PHE QD 4.310 . 4.310 3.673 3.547 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 1 1902 1 76 VAL HA 1 79 PHE QE 5.500 . 5.500 5.596 5.541 5.665 0.165 10 0 "[ . 1 . 2 . 3 ]" 1 1903 1 76 VAL HA 1 80 LYS H 4.260 . 4.260 3.809 3.663 3.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 1904 1 76 VAL HA 1 80 LYS QE 5.340 . 5.340 4.521 3.604 5.370 0.030 13 0 "[ . 1 . 2 . 3 ]" 1 1905 1 76 VAL HA 1 80 LYS HG2 5.500 . 5.500 4.930 3.553 5.276 . 0 0 "[ . 1 . 2 . 3 ]" 1 1906 1 76 VAL HA 1 80 LYS HG3 5.500 . 5.500 3.837 3.491 4.732 . 0 0 "[ . 1 . 2 . 3 ]" 1 1907 1 76 VAL HB 1 77 ASN H 3.990 . 3.990 2.539 2.311 2.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 1908 1 76 VAL HB 1 77 ASN HA 5.490 . 5.490 4.387 4.257 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 1909 1 76 VAL HB 1 77 ASN QB 5.340 . 5.340 4.054 3.866 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1 1910 1 76 VAL HB 1 80 LYS HG3 5.500 . 5.500 4.953 4.840 5.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 1911 1 77 ASN H 1 77 ASN QB 2.990 . 2.990 2.046 2.006 2.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 1912 1 77 ASN H 1 77 ASN HD21 4.570 . 4.570 3.350 2.557 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 1913 1 77 ASN H 1 77 ASN HD22 4.800 . 4.800 4.800 4.002 4.907 0.107 29 0 "[ . 1 . 2 . 3 ]" 1 1914 1 77 ASN H 1 78 ASN H 3.340 . 3.340 2.730 2.614 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 1915 1 77 ASN H 1 78 ASN QB 5.290 . 5.290 4.457 4.272 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 1916 1 77 ASN H 1 79 PHE H 4.710 . 4.710 4.241 4.131 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 1917 1 77 ASN H 1 80 LYS HG3 5.500 . 5.500 4.900 4.666 5.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 1918 1 77 ASN HA 1 77 ASN HD22 5.290 . 5.290 4.932 4.102 5.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 1919 1 77 ASN HA 1 80 LYS H 4.030 . 4.030 3.895 3.689 4.050 0.020 8 0 "[ . 1 . 2 . 3 ]" 1 1920 1 77 ASN HA 1 80 LYS HB2 3.700 . 3.700 3.129 2.767 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 1921 1 77 ASN HA 1 80 LYS HD2 5.420 . 5.420 3.685 2.982 5.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 1922 1 77 ASN HA 1 80 LYS HD3 5.500 . 5.500 5.052 4.359 5.611 0.111 3 0 "[ . 1 . 2 . 3 ]" 1 1923 1 77 ASN HA 1 80 LYS HG3 4.220 . 4.220 3.663 2.838 4.177 . 0 0 "[ . 1 . 2 . 3 ]" 1 1924 1 77 ASN QB 1 78 ASN H 3.610 . 3.610 3.033 2.525 3.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 1925 1 77 ASN QB 1 80 LYS HB2 5.340 . 5.340 4.894 4.567 5.141 . 0 0 "[ . 1 . 2 . 3 ]" 1 1926 1 78 ASN H 1 78 ASN QB 2.890 . 2.890 2.087 2.011 2.268 . 0 0 "[ . 1 . 2 . 3 ]" 1 1927 1 78 ASN H 1 78 ASN HD21 4.500 . 4.500 3.675 3.353 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 1928 1 78 ASN H 1 78 ASN HD22 4.730 . 4.730 4.819 4.457 5.069 0.339 14 0 "[ . 1 . 2 . 3 ]" 1 1929 1 78 ASN H 1 79 PHE H 3.520 . 3.520 2.546 2.426 2.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 1930 1 78 ASN H 1 79 PHE QB 4.610 . 4.610 4.217 4.109 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 1931 1 78 ASN HA 1 80 LYS H 5.170 . 5.170 4.635 4.545 4.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 1932 1 78 ASN HA 1 81 ASN H 3.860 . 3.860 3.568 3.415 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 1933 1 78 ASN HA 1 81 ASN HD21 4.200 . 4.200 3.354 3.107 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 1934 1 78 ASN HA 1 82 GLU QG 5.390 . 5.390 3.903 3.627 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 1935 1 78 ASN QB 1 78 ASN HD22 3.610 . 3.610 3.214 3.182 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 1936 1 78 ASN QB 1 79 PHE H 3.540 . 3.540 2.763 2.420 3.109 . 0 0 "[ . 1 . 2 . 3 ]" 1 1937 1 78 ASN QB 1 79 PHE HA 4.980 . 4.980 4.235 3.658 4.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 1938 1 79 PHE H 1 79 PHE QB 3.470 . 3.470 2.201 2.182 2.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 1939 1 79 PHE H 1 79 PHE QD 4.130 . 4.130 4.114 4.070 4.138 0.008 29 0 "[ . 1 . 2 . 3 ]" 1 1940 1 79 PHE H 1 80 LYS H 4.020 . 4.020 2.845 2.736 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 1941 1 79 PHE H 1 81 ASN H 4.470 . 4.470 4.137 3.942 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 1942 1 79 PHE H 1 81 ASN QB 5.470 . 5.470 5.052 4.874 5.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 1943 1 79 PHE H 1 81 ASN HD21 5.500 . 5.500 5.458 5.304 5.537 0.037 23 0 "[ . 1 . 2 . 3 ]" 1 1944 1 79 PHE H 1 82 GLU QG 4.860 . 4.860 4.537 4.171 4.870 0.010 11 0 "[ . 1 . 2 . 3 ]" 1 1945 1 79 PHE HA 1 79 PHE QD 3.510 . 3.510 3.001 2.888 3.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1946 1 79 PHE HA 1 81 ASN H 5.200 . 5.200 4.172 3.849 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 1947 1 79 PHE HA 1 82 GLU H 3.980 . 3.980 3.354 3.116 3.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 1948 1 79 PHE HA 1 82 GLU QB 3.960 . 3.960 2.625 2.294 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 1949 1 79 PHE HA 1 82 GLU QG 3.800 . 3.800 3.195 2.593 3.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 1950 1 79 PHE HA 1 83 THR H 5.220 . 5.220 3.893 3.627 4.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 1951 1 79 PHE HA 1 83 THR MG 4.660 . 4.660 3.967 3.692 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 1952 1 79 PHE QB 1 80 LYS H 3.880 . 3.880 2.513 2.421 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 1953 1 79 PHE QB 1 80 LYS HG2 5.500 . 5.500 4.474 3.366 4.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 1954 1 79 PHE QB 1 83 THR MG 4.910 . 4.910 4.537 4.137 4.917 0.007 5 0 "[ . 1 . 2 . 3 ]" 1 1955 1 79 PHE QD 1 80 LYS H 3.910 . 3.910 2.766 2.690 2.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 1956 1 79 PHE QD 1 80 LYS HA 3.950 . 3.950 3.033 2.883 3.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 1957 1 79 PHE QD 1 80 LYS HB2 5.150 . 5.150 4.482 4.352 4.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 1958 1 79 PHE QD 1 80 LYS QE 4.450 . 4.450 3.977 1.699 4.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 1959 1 79 PHE QD 1 80 LYS HG2 3.770 . 3.770 2.951 2.665 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 1960 1 79 PHE QD 1 80 LYS HG3 4.290 . 4.290 3.128 2.672 4.390 0.100 20 0 "[ . 1 . 2 . 3 ]" 1 1961 1 79 PHE QD 1 81 ASN H 5.380 . 5.380 5.045 4.910 5.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 1962 1 79 PHE QD 1 82 GLU H 5.500 . 5.500 5.284 5.017 5.519 0.019 29 0 "[ . 1 . 2 . 3 ]" 1 1963 1 79 PHE QD 1 82 GLU QG 5.500 . 5.500 5.139 4.388 5.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 1964 1 79 PHE QD 1 83 THR MG 4.230 . 4.230 3.402 3.067 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 1965 1 79 PHE QE 1 80 LYS H 4.860 . 4.860 4.901 4.835 4.939 0.079 29 0 "[ . 1 . 2 . 3 ]" 1 1966 1 79 PHE QE 1 80 LYS HA 4.170 . 4.170 3.923 3.819 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 1967 1 79 PHE QE 1 80 LYS QE 5.100 . 5.100 4.595 2.332 5.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 1968 1 79 PHE QE 1 80 LYS HG2 4.520 . 4.520 3.940 3.714 4.577 0.057 20 0 "[ . 1 . 2 . 3 ]" 1 1969 1 79 PHE QE 1 83 THR MG 3.570 . 3.570 2.801 2.391 3.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 1970 1 79 PHE QE 1 85 TYR H 5.260 . 5.260 5.121 4.663 5.316 0.056 10 0 "[ . 1 . 2 . 3 ]" 1 1971 1 79 PHE QE 1 85 TYR HB2 3.700 . 3.700 3.088 2.505 3.479 . 0 0 "[ . 1 . 2 . 3 ]" 1 1972 1 79 PHE QE 1 85 TYR HB3 5.270 . 5.270 3.630 2.968 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 1973 1 79 PHE QE 1 85 TYR QE 4.860 . 4.860 4.687 4.203 4.907 0.047 23 0 "[ . 1 . 2 . 3 ]" 1 1974 1 79 PHE HZ 1 83 THR MG 4.420 . 4.420 3.226 2.800 3.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 1975 1 79 PHE HZ 1 85 TYR HB2 5.500 . 5.500 4.337 3.868 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 1976 1 80 LYS H 1 80 LYS HB2 3.600 . 3.600 2.470 2.369 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 1977 1 80 LYS H 1 80 LYS HD2 4.910 . 4.910 4.320 3.848 4.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 1978 1 80 LYS H 1 80 LYS HD3 4.900 . 4.900 4.773 4.271 4.968 0.068 1 0 "[ . 1 . 2 . 3 ]" 1 1979 1 80 LYS H 1 80 LYS QE 4.920 . 4.920 4.475 2.977 4.950 0.030 3 0 "[ . 1 . 2 . 3 ]" 1 1980 1 80 LYS H 1 80 LYS HG2 3.840 . 3.840 3.171 1.812 3.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 1981 1 80 LYS H 1 80 LYS HG3 4.010 . 4.010 2.501 2.121 3.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 1982 1 80 LYS H 1 81 ASN H 3.720 . 3.720 2.783 2.706 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 1983 1 80 LYS H 1 81 ASN QB 4.960 . 4.960 4.644 4.523 4.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 1984 1 80 LYS H 1 82 GLU H 4.400 . 4.400 4.209 3.983 4.419 0.019 8 0 "[ . 1 . 2 . 3 ]" 1 1985 1 80 LYS H 1 82 GLU QB 5.500 . 5.500 5.158 4.864 5.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 1986 1 80 LYS H 1 85 TYR QD 5.500 . 5.500 5.587 5.490 5.817 0.317 10 0 "[ . 1 . 2 . 3 ]" 1 1987 1 80 LYS HA 1 80 LYS HD2 4.830 . 4.830 4.572 4.111 4.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 1988 1 80 LYS HA 1 80 LYS HD3 4.830 . 4.830 3.994 2.913 4.386 . 0 0 "[ . 1 . 2 . 3 ]" 1 1989 1 80 LYS HA 1 80 LYS QE 5.340 . 5.340 4.271 1.990 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 1990 1 80 LYS HA 1 80 LYS HG2 3.790 . 3.790 2.472 2.252 2.916 . 0 0 "[ . 1 . 2 . 3 ]" 1 1991 1 80 LYS HA 1 80 LYS HG3 3.880 . 3.880 3.252 3.027 3.885 0.005 20 0 "[ . 1 . 2 . 3 ]" 1 1992 1 80 LYS HA 1 83 THR H 4.770 . 4.770 4.009 3.805 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 1993 1 80 LYS HA 1 83 THR MG 5.500 . 5.500 4.325 2.691 5.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 1994 1 80 LYS HA 1 84 GLY H 5.390 . 5.390 3.875 3.546 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1 1995 1 80 LYS HA 1 85 TYR H 5.270 . 5.270 2.693 2.465 2.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 1996 1 80 LYS HA 1 85 TYR HA 4.830 . 4.830 4.679 4.441 4.923 0.093 21 0 "[ . 1 . 2 . 3 ]" 1 1997 1 80 LYS HA 1 85 TYR HB2 4.820 . 4.820 3.185 2.363 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 1998 1 80 LYS HA 1 85 TYR HB3 4.290 . 4.290 2.104 1.936 2.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 1999 1 80 LYS HA 1 85 TYR QD 4.410 . 4.410 3.823 3.584 4.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 2000 1 80 LYS HB2 1 80 LYS QE 4.920 . 4.920 4.054 3.794 4.340 . 0 0 "[ . 1 . 2 . 3 ]" 1 2001 1 80 LYS HB2 1 81 ASN H 3.670 . 3.670 2.817 2.560 3.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 2002 1 80 LYS HB2 1 81 ASN HA 5.500 . 5.500 4.436 4.134 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 2003 1 80 LYS HB2 1 81 ASN QB 4.540 . 4.540 4.401 4.307 4.473 . 0 0 "[ . 1 . 2 . 3 ]" 1 2004 1 80 LYS HB2 1 81 ASN HD21 4.890 . 4.890 3.477 3.142 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1 2005 1 80 LYS HB2 1 85 TYR HB3 5.500 . 5.500 4.388 3.812 4.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 2006 1 80 LYS HD2 1 85 TYR QD 4.660 . 4.660 4.104 3.100 4.687 0.027 17 0 "[ . 1 . 2 . 3 ]" 1 2007 1 80 LYS HD3 1 85 TYR QD 4.410 . 4.410 2.630 1.893 3.412 . 0 0 "[ . 1 . 2 . 3 ]" 1 2008 1 80 LYS HD3 1 86 THR H 4.800 . 4.800 4.307 3.080 5.005 0.205 4 0 "[ . 1 . 2 . 3 ]" 1 2009 1 80 LYS QE 1 80 LYS HG2 3.000 . 3.000 2.347 1.988 2.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 2010 1 80 LYS QE 1 80 LYS HG3 3.430 . 3.430 2.549 2.194 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 2011 1 80 LYS QE 1 85 TYR HB3 4.570 . 4.570 3.977 2.099 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 2012 1 80 LYS QE 1 85 TYR QD 4.730 . 4.730 2.699 2.082 3.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 2013 1 80 LYS QE 1 85 TYR QE 5.330 . 5.330 2.771 2.189 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 2014 1 80 LYS HG2 1 81 ASN H 5.210 . 5.210 4.944 4.106 5.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 2015 1 80 LYS HG2 1 85 TYR HB2 4.940 . 4.940 4.045 3.155 5.002 0.062 20 0 "[ . 1 . 2 . 3 ]" 1 2016 1 80 LYS HG2 1 85 TYR HB3 5.500 . 5.500 2.694 2.201 4.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 2017 1 80 LYS HG2 1 85 TYR QD 4.580 . 4.580 2.790 2.219 4.709 0.129 22 0 "[ . 1 . 2 . 3 ]" 1 2018 1 80 LYS HG3 1 81 ASN H 5.030 . 5.030 4.565 4.367 4.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 2019 1 80 LYS HG3 1 85 TYR HB3 5.500 . 5.500 4.143 3.868 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1 2020 1 81 ASN H 1 81 ASN QB 2.990 . 2.990 2.206 2.148 2.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 2021 1 81 ASN H 1 81 ASN HD21 4.290 . 4.290 2.742 2.455 3.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 2022 1 81 ASN H 1 81 ASN HD22 4.610 . 4.610 4.198 3.937 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2023 1 81 ASN H 1 82 GLU QG 5.420 . 5.420 4.178 3.824 4.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 2024 1 81 ASN HA 1 81 ASN HD21 4.880 . 4.880 3.683 3.540 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1 2025 1 81 ASN HA 1 81 ASN HD22 5.210 . 5.210 4.107 4.005 4.202 . 0 0 "[ . 1 . 2 . 3 ]" 1 2026 1 81 ASN HA 1 84 GLY H 4.240 . 4.240 3.613 3.325 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 2027 1 81 ASN QB 1 81 ASN HD21 3.080 . 3.080 2.190 2.152 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 2028 1 81 ASN QB 1 81 ASN HD22 3.440 . 3.440 3.281 3.267 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 2029 1 81 ASN QB 1 82 GLU H 3.320 . 3.320 2.859 2.565 3.193 . 0 0 "[ . 1 . 2 . 3 ]" 1 2030 1 81 ASN QB 1 82 GLU HA 4.300 . 4.300 3.884 3.748 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 2031 1 81 ASN QB 1 82 GLU QB 4.880 . 4.880 4.501 4.356 4.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 2032 1 81 ASN QB 1 82 GLU QG 4.520 . 4.520 3.536 3.125 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 2033 1 81 ASN QB 1 83 THR H 5.450 . 5.450 4.996 4.646 5.317 . 0 0 "[ . 1 . 2 . 3 ]" 1 2034 1 81 ASN QB 1 84 GLY HA2 5.500 . 5.500 5.446 5.216 5.540 0.040 20 0 "[ . 1 . 2 . 3 ]" 1 2035 1 81 ASN HD21 1 82 GLU H 5.500 . 5.500 4.725 4.510 4.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 2036 1 82 GLU H 1 82 GLU HB2 4.200 . 4.200 2.376 2.188 2.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 2037 1 82 GLU H 1 82 GLU QB 3.140 . 3.140 2.343 2.167 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1 2038 1 82 GLU H 1 82 GLU HB3 4.200 . 4.200 3.578 3.491 3.623 . 0 0 "[ . 1 . 2 . 3 ]" 1 2039 1 82 GLU H 1 82 GLU QG 3.250 . 3.250 2.488 2.075 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 2040 1 82 GLU H 1 83 THR H 3.720 . 3.720 2.649 2.490 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 2041 1 82 GLU H 1 83 THR MG 4.430 . 4.430 4.324 3.616 4.505 0.075 26 0 "[ . 1 . 2 . 3 ]" 1 2042 1 82 GLU HA 1 82 GLU QG 3.230 . 3.230 2.776 2.196 3.051 . 0 0 "[ . 1 . 2 . 3 ]" 1 2043 1 82 GLU HA 1 83 THR H 3.560 . 3.560 3.556 3.516 3.580 0.020 13 0 "[ . 1 . 2 . 3 ]" 1 2044 1 82 GLU QB 1 83 THR H 3.660 . 3.660 2.466 2.265 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1 2045 1 82 GLU QB 1 83 THR HA 4.420 . 4.420 3.901 3.820 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 2046 1 82 GLU QB 1 83 THR MG 3.740 . 3.740 3.088 2.619 3.776 0.036 4 0 "[ . 1 . 2 . 3 ]" 1 2047 1 82 GLU QB 1 84 GLY H 5.100 . 5.100 4.344 4.126 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 1 2048 1 82 GLU HB2 1 83 THR HA 5.500 . 5.500 4.526 4.350 4.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 2049 1 82 GLU HB3 1 83 THR HA 5.500 . 5.500 4.272 4.100 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 2050 1 82 GLU QG 1 83 THR H 4.460 . 4.460 4.106 3.979 4.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 2051 1 82 GLU QG 1 83 THR MG 5.200 . 5.200 4.699 4.255 5.254 0.054 3 0 "[ . 1 . 2 . 3 ]" 1 2052 1 83 THR H 1 83 THR HB 4.200 . 4.200 3.373 2.568 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 2053 1 83 THR H 1 83 THR MG 3.260 . 3.260 2.394 1.815 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 2054 1 83 THR H 1 84 GLY H 3.560 . 3.560 2.340 2.208 2.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 2055 1 83 THR H 1 84 GLY HA2 4.820 . 4.820 4.639 4.480 4.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 2056 1 83 THR H 1 84 GLY HA3 5.230 . 5.230 5.015 4.880 5.103 . 0 0 "[ . 1 . 2 . 3 ]" 1 2057 1 83 THR HA 1 83 THR MG 3.340 . 3.340 2.561 2.258 3.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 2058 1 83 THR HB 1 84 GLY H 4.720 . 4.720 4.066 3.702 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 2059 1 83 THR MG 1 84 GLY H 4.200 . 4.200 3.702 2.290 4.263 0.063 25 0 "[ . 1 . 2 . 3 ]" 1 2060 1 84 GLY H 1 85 TYR H 3.860 . 3.860 2.446 2.144 2.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 2061 1 84 GLY HA2 1 85 TYR HB3 5.340 . 5.340 5.007 4.789 5.322 . 0 0 "[ . 1 . 2 . 3 ]" 1 2062 1 85 TYR H 1 85 TYR HB2 4.110 . 4.110 2.739 2.482 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 2063 1 85 TYR H 1 85 TYR HB3 3.910 . 3.910 2.384 2.207 2.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 2064 1 85 TYR H 1 85 TYR QD 4.320 . 4.320 4.120 3.989 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 2065 1 85 TYR H 1 86 THR H 5.170 . 5.170 3.459 2.566 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 2066 1 85 TYR HA 1 85 TYR QD 3.470 . 3.470 3.059 2.275 3.247 . 0 0 "[ . 1 . 2 . 3 ]" 1 2067 1 85 TYR HA 1 85 TYR QE 5.140 . 5.140 4.811 4.365 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 2068 1 85 TYR HA 1 86 THR H 3.030 . 3.030 2.970 2.112 3.478 0.448 22 0 "[ . 1 . 2 . 3 ]" 1 2069 1 85 TYR HB2 1 86 THR H 4.530 . 4.530 3.873 3.546 4.254 . 0 0 "[ . 1 . 2 . 3 ]" 1 2070 1 85 TYR HB3 1 86 THR H 4.330 . 4.330 3.022 2.049 4.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 2071 1 85 TYR HB3 1 86 THR MG 5.040 . 5.040 4.488 3.089 5.152 0.112 23 0 "[ . 1 . 2 . 3 ]" 1 2072 1 85 TYR QD 1 86 THR H 3.770 . 3.770 2.811 2.143 3.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 2073 1 85 TYR QD 1 86 THR HA 5.020 . 5.020 3.178 2.738 4.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 2074 1 85 TYR QD 1 86 THR HB 5.270 . 5.270 4.540 1.967 5.386 0.116 23 0 "[ . 1 . 2 . 3 ]" 1 2075 1 85 TYR QD 1 86 THR MG 3.830 . 3.830 2.916 1.951 3.925 0.095 9 0 "[ . 1 . 2 . 3 ]" 1 2076 1 85 TYR QD 1 87 LYS H 5.500 . 5.500 5.039 4.663 5.542 0.042 23 0 "[ . 1 . 2 . 3 ]" 1 2077 1 85 TYR QE 1 86 THR H 4.660 . 4.660 4.468 3.449 4.856 0.196 25 0 "[ . 1 . 2 . 3 ]" 1 2078 1 85 TYR QE 1 86 THR HA 5.500 . 5.500 3.952 3.217 5.589 0.089 28 0 "[ . 1 . 2 . 3 ]" 1 2079 1 85 TYR QE 1 86 THR MG 4.200 . 4.200 3.483 1.962 4.432 0.232 5 0 "[ . 1 . 2 . 3 ]" 1 2080 1 85 TYR QE 1 87 LYS H 5.500 . 5.500 5.279 3.920 5.725 0.225 8 0 "[ . 1 . 2 . 3 ]" 1 2081 1 86 THR H 1 86 THR HB 4.060 . 4.060 3.467 3.039 3.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 2082 1 86 THR H 1 86 THR MG 3.910 . 3.910 3.310 2.214 3.933 0.023 30 0 "[ . 1 . 2 . 3 ]" 1 2083 1 86 THR H 1 87 LYS H 4.700 . 4.700 4.417 4.163 4.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 2084 1 86 THR H 1 87 LYS HA 5.290 . 5.290 5.101 4.395 5.493 0.203 20 0 "[ . 1 . 2 . 3 ]" 1 2085 1 86 THR HA 1 86 THR MG 3.170 . 3.170 2.223 1.851 3.245 0.075 20 0 "[ . 1 . 2 . 3 ]" 1 2086 1 86 THR HA 1 87 LYS HB3 4.710 . 4.710 4.330 4.044 4.717 0.007 28 0 "[ . 1 . 2 . 3 ]" 1 2087 1 86 THR HA 1 87 LYS QE 5.060 . 5.060 4.564 3.333 5.133 0.073 2 0 "[ . 1 . 2 . 3 ]" 1 2088 1 86 THR HB 1 87 LYS H 4.030 . 4.030 2.762 1.581 3.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 2089 1 86 THR HB 1 87 LYS HB3 5.500 . 5.500 5.313 4.459 5.724 0.224 20 0 "[ . 1 . 2 . 3 ]" 1 2090 1 86 THR MG 1 87 LYS H 3.790 . 3.790 2.784 1.852 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 2091 1 86 THR MG 1 87 LYS QE 4.760 . 4.760 4.521 3.310 4.849 0.089 3 0 "[ . 1 . 2 . 3 ]" 1 2092 1 87 LYS H 1 87 LYS HB2 4.100 . 4.100 3.740 3.506 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 2093 1 87 LYS H 1 87 LYS HB3 3.930 . 3.930 2.861 2.224 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 2094 1 87 LYS H 1 87 LYS QE 4.470 . 4.470 3.718 2.722 4.508 0.038 17 0 "[ . 1 . 2 . 3 ]" 1 2095 1 87 LYS H 1 87 LYS QG 3.860 . 3.860 2.909 2.248 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 2096 1 87 LYS H 1 88 ARG H 4.840 . 4.840 4.479 4.253 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 2097 1 87 LYS H 1 89 LEU H 5.500 . 5.500 5.090 3.856 5.583 0.083 20 0 "[ . 1 . 2 . 3 ]" 1 2098 1 87 LYS HA 1 87 LYS QG 3.510 . 3.510 3.410 3.303 3.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 2099 1 87 LYS HA 1 88 ARG H 3.060 . 3.060 2.462 2.276 2.948 . 0 0 "[ . 1 . 2 . 3 ]" 1 2100 1 87 LYS HB2 1 87 LYS QE 4.730 . 4.730 3.841 3.028 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 2101 1 87 LYS HB2 1 87 LYS QG 2.700 . 2.700 2.175 2.134 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 2102 1 87 LYS HB2 1 88 ARG H 4.400 . 4.400 2.420 1.732 2.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 2103 1 87 LYS HB2 1 89 LEU QD 5.430 . 5.430 3.579 1.961 4.567 . 0 0 "[ . 1 . 2 . 3 ]" 1 2104 1 87 LYS HB3 1 87 LYS QE 4.380 . 4.380 3.030 1.932 4.100 . 0 0 "[ . 1 . 2 . 3 ]" 1 2105 1 87 LYS HB3 1 88 ARG H 4.300 . 4.300 3.797 3.316 4.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 2106 1 87 LYS HB3 1 89 LEU QD 4.890 . 4.890 4.400 3.274 4.937 0.047 11 0 "[ . 1 . 2 . 3 ]" 1 2107 1 87 LYS HD2 1 88 ARG H 5.500 . 5.500 5.257 4.573 5.592 0.092 2 0 "[ . 1 . 2 . 3 ]" 1 2108 1 87 LYS HD3 1 88 ARG H 5.500 . 5.500 5.144 4.200 5.583 0.083 17 0 "[ . 1 . 2 . 3 ]" 1 2109 1 87 LYS QE 1 87 LYS QG 3.240 . 3.240 2.302 2.116 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 2110 1 87 LYS QE 1 89 LEU QD 4.910 . 4.910 4.062 2.432 4.955 0.045 5 0 "[ . 1 . 2 . 3 ]" 1 2111 1 87 LYS QG 1 88 ARG H 4.320 . 4.320 3.239 2.719 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 2112 1 87 LYS QG 1 88 ARG HA 4.860 . 4.860 4.035 3.390 4.930 0.070 1 0 "[ . 1 . 2 . 3 ]" 1 2113 1 87 LYS QG 1 89 LEU QD 4.410 . 4.410 2.636 1.993 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 2114 1 88 ARG H 1 88 ARG QB 3.550 . 3.550 2.629 2.142 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 2115 1 88 ARG H 1 88 ARG QD 4.860 . 4.860 3.305 1.738 4.879 0.019 30 0 "[ . 1 . 2 . 3 ]" 1 2116 1 88 ARG H 1 88 ARG QG 4.130 . 4.130 2.981 1.612 4.137 0.007 8 0 "[ . 1 . 2 . 3 ]" 1 2117 1 88 ARG H 1 89 LEU H 4.660 . 4.660 3.254 1.865 4.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 2118 1 88 ARG HA 1 88 ARG QB 2.610 . 2.610 2.301 2.147 2.538 . 0 0 "[ . 1 . 2 . 3 ]" 1 2119 1 88 ARG HA 1 88 ARG QD 3.680 . 3.680 3.110 1.914 3.813 0.133 18 0 "[ . 1 . 2 . 3 ]" 1 2120 1 88 ARG HA 1 88 ARG HE 5.500 . 5.500 4.454 1.844 5.612 0.112 11 0 "[ . 1 . 2 . 3 ]" 1 2121 1 88 ARG HA 1 88 ARG QG 3.570 . 3.570 2.941 2.260 3.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 2122 1 88 ARG HA 1 89 LEU H 3.360 . 3.360 2.705 2.100 3.476 0.116 28 0 "[ . 1 . 2 . 3 ]" 1 2123 1 88 ARG QB 1 88 ARG QD 3.490 . 3.490 2.435 1.998 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 2124 1 88 ARG QB 1 88 ARG HE 4.920 . 4.920 3.101 1.956 4.280 . 0 0 "[ . 1 . 2 . 3 ]" 1 2125 1 88 ARG QB 1 89 LEU H 4.460 . 4.460 3.722 2.780 4.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 2126 1 88 ARG HB2 1 88 ARG QG 2.760 . 2.760 2.342 2.132 2.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 2127 1 88 ARG HB3 1 88 ARG QG 2.760 . 2.760 2.222 2.138 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 2128 1 88 ARG QD 1 89 LEU H 5.460 . 5.460 3.663 2.291 5.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 2129 1 88 ARG QD 1 89 LEU QD 5.440 . 5.440 4.040 2.142 5.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 2130 1 88 ARG HE 1 88 ARG QG 3.610 . 3.610 2.487 2.099 3.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 2131 1 89 LEU H 1 89 LEU HB2 4.050 . 4.050 2.393 2.170 3.564 . 0 0 "[ . 1 . 2 . 3 ]" 1 2132 1 89 LEU H 1 89 LEU QB 3.180 . 3.180 2.344 2.146 2.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 2133 1 89 LEU H 1 89 LEU HB3 4.050 . 4.050 3.550 3.219 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 2134 1 89 LEU H 1 89 LEU MD1 4.260 . 4.260 3.664 1.666 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 2135 1 89 LEU H 1 89 LEU QD 3.460 . 3.460 2.713 1.544 3.545 0.085 12 0 "[ . 1 . 2 . 3 ]" 1 2136 1 89 LEU H 1 89 LEU MD2 4.260 . 4.260 2.880 1.824 3.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 2137 1 89 LEU H 1 89 LEU HG 4.650 . 4.650 3.557 2.361 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 2138 1 89 LEU HA 1 89 LEU MD1 4.170 . 4.170 2.777 1.897 3.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 2139 1 89 LEU HA 1 89 LEU QD 3.420 . 3.420 2.000 1.871 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2140 1 89 LEU HA 1 89 LEU MD2 4.170 . 4.170 2.484 1.963 3.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 2141 1 89 LEU HA 1 90 ARG H 2.660 . 2.660 2.367 2.111 2.671 0.011 3 0 "[ . 1 . 2 . 3 ]" 1 2142 1 89 LEU HA 1 90 ARG QD 5.150 . 5.150 3.724 2.614 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 2143 1 89 LEU QB 1 89 LEU QD 2.630 . 2.630 2.004 1.899 2.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 2144 1 89 LEU QB 1 90 ARG H 3.370 . 3.370 2.537 1.930 3.086 . 0 0 "[ . 1 . 2 . 3 ]" 1 2145 1 89 LEU QB 1 90 ARG QD 5.340 . 5.340 4.535 3.354 5.352 0.012 4 0 "[ . 1 . 2 . 3 ]" 1 2146 1 89 LEU HB2 1 90 ARG H 4.070 . 4.070 3.770 2.256 4.196 0.126 27 0 "[ . 1 . 2 . 3 ]" 1 2147 1 89 LEU HB3 1 90 ARG H 4.070 . 4.070 2.612 1.940 3.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 2148 1 89 LEU QD 1 90 ARG H 3.690 . 3.690 3.005 2.349 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 2149 1 89 LEU QD 1 90 ARG QD 4.870 . 4.870 4.266 2.703 4.942 0.072 7 0 "[ . 1 . 2 . 3 ]" 1 2150 1 89 LEU MD1 1 90 ARG H 4.660 . 4.660 3.588 2.362 4.736 0.076 26 0 "[ . 1 . 2 . 3 ]" 1 2151 1 89 LEU MD2 1 90 ARG H 4.660 . 4.660 3.968 2.986 4.726 0.066 17 0 "[ . 1 . 2 . 3 ]" 1 2152 1 90 ARG H 1 90 ARG HB2 4.010 . 4.010 3.027 2.132 3.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 2153 1 90 ARG H 1 90 ARG QB 3.230 . 3.230 2.698 2.111 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 2154 1 90 ARG H 1 90 ARG HB3 4.010 . 4.010 3.445 2.638 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1 2155 1 90 ARG H 1 90 ARG QD 4.680 . 4.680 2.865 1.763 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 2156 1 90 ARG H 1 90 ARG QG 3.530 . 3.530 2.464 1.638 3.573 0.043 5 0 "[ . 1 . 2 . 3 ]" 1 2157 1 90 ARG H 1 92 GLN H 4.720 . 4.720 4.404 3.816 4.826 0.106 20 0 "[ . 1 . 2 . 3 ]" 1 2158 1 90 ARG HA 1 90 ARG QD 3.790 . 3.790 2.872 1.824 3.944 0.154 27 0 "[ . 1 . 2 . 3 ]" 1 2159 1 90 ARG HA 1 90 ARG HE 5.500 . 5.500 4.627 2.918 5.592 0.092 8 0 "[ . 1 . 2 . 3 ]" 1 2160 1 90 ARG HA 1 90 ARG QG 3.500 . 3.500 3.131 2.168 3.508 0.008 24 0 "[ . 1 . 2 . 3 ]" 1 2161 1 90 ARG HA 1 91 LYS H 3.180 . 3.180 2.645 2.229 3.400 0.220 15 0 "[ . 1 . 2 . 3 ]" 1 2162 1 90 ARG HA 1 92 GLN QG 5.500 . 5.500 4.961 2.899 5.563 0.063 14 0 "[ . 1 . 2 . 3 ]" 1 2163 1 90 ARG QB 1 90 ARG QD 3.350 . 3.350 2.427 2.104 2.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 2164 1 90 ARG QB 1 90 ARG HE 4.450 . 4.450 3.157 1.800 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1 2165 1 90 ARG QB 1 91 LYS H 3.060 . 3.060 2.363 1.828 3.580 0.520 8 1 "[ . + 1 . 2 . 3 ]" 1 2166 1 90 ARG QB 1 92 GLN H 4.020 . 4.020 2.913 2.113 4.291 0.271 15 0 "[ . 1 . 2 . 3 ]" 1 2167 1 90 ARG HB3 1 91 LYS H 3.810 . 3.810 2.832 1.856 4.041 0.231 17 0 "[ . 1 . 2 . 3 ]" 1 2168 1 90 ARG QD 1 91 LYS H 4.950 . 4.950 4.051 1.883 5.040 0.090 1 0 "[ . 1 . 2 . 3 ]" 1 2169 1 90 ARG QG 1 91 LYS H 4.910 . 4.910 3.667 2.109 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 2170 1 90 ARG QG 1 92 GLN H 4.700 . 4.700 3.952 2.165 4.807 0.107 17 0 "[ . 1 . 2 . 3 ]" 1 2171 1 91 LYS H 1 91 LYS HB2 3.860 . 3.860 2.684 2.129 3.755 . 0 0 "[ . 1 . 2 . 3 ]" 1 2172 1 91 LYS H 1 91 LYS QB 3.050 . 3.050 2.458 2.109 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 2173 1 91 LYS H 1 91 LYS HB3 3.860 . 3.860 3.444 2.494 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1 2174 1 91 LYS H 1 91 LYS QD 4.590 . 4.590 3.978 2.781 4.604 0.014 32 0 "[ . 1 . 2 . 3 ]" 1 2175 1 91 LYS H 1 91 LYS QG 3.730 . 3.730 2.527 1.931 3.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 2176 1 91 LYS H 1 92 GLN H 3.550 . 3.550 2.783 2.183 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 2177 1 91 LYS H 1 92 GLN HA 5.500 . 5.500 4.774 4.403 5.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 2178 1 91 LYS H 1 92 GLN QG 4.630 . 4.630 4.231 3.461 4.710 0.080 3 0 "[ . 1 . 2 . 3 ]" 1 2179 1 91 LYS HA 1 91 LYS QG 3.740 . 3.740 2.609 2.188 3.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 2180 1 91 LYS HA 1 92 GLN H 3.330 . 3.330 2.986 2.431 3.418 0.088 12 0 "[ . 1 . 2 . 3 ]" 1 2181 1 91 LYS HA 1 92 GLN QG 5.500 . 5.500 4.207 3.244 5.522 0.022 22 0 "[ . 1 . 2 . 3 ]" 1 2182 1 91 LYS QB 1 92 GLN H 4.180 . 4.180 3.627 2.897 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 2183 1 91 LYS HB2 1 92 GLN H 4.760 . 4.760 3.939 2.975 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1 2184 1 91 LYS HB3 1 92 GLN H 4.760 . 4.760 4.309 3.820 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1 2185 1 91 LYS QD 1 91 LYS QG 2.310 . 2.310 2.052 2.006 2.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 2186 1 91 LYS QG 1 92 GLN H 4.610 . 4.610 4.264 3.209 4.679 0.069 13 0 "[ . 1 . 2 . 3 ]" 1 2187 1 92 GLN H 1 92 GLN HB2 4.010 . 4.010 3.405 2.473 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 2188 1 92 GLN H 1 92 GLN QB 3.460 . 3.460 2.993 2.432 3.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 2189 1 92 GLN H 1 92 GLN HB3 4.010 . 4.010 3.567 2.747 4.060 0.050 16 0 "[ . 1 . 2 . 3 ]" 1 2190 1 92 GLN H 1 92 GLN QG 3.790 . 3.790 2.405 1.703 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1 2191 1 92 GLN HA 1 92 GLN QB 2.610 . 2.610 2.284 2.167 2.399 . 0 0 "[ . 1 . 2 . 3 ]" 1 2192 1 92 GLN HA 1 92 GLN QG 3.790 . 3.790 2.878 2.395 3.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 2193 1 92 GLN HB2 1 92 GLN QG 2.630 . 2.630 2.344 2.140 2.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 2194 1 92 GLN HB3 1 92 GLN QG 2.630 . 2.630 2.307 2.133 2.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 2195 2 1 GLY QA 2 2 PRO HA 4.330 . 4.330 4.070 4.019 4.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 2196 2 1 GLY QA 2 2 PRO HD2 3.110 . 3.110 2.306 2.051 2.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 2197 2 1 GLY QA 2 2 PRO QD 2.560 . 2.560 2.021 1.913 2.100 . 0 0 "[ . 1 . 2 . 3 ]" 1 2198 2 1 GLY QA 2 2 PRO HD3 3.110 . 3.110 2.264 1.948 2.444 . 0 0 "[ . 1 . 2 . 3 ]" 1 2199 2 1 GLY QA 2 2 PRO HG2 4.820 . 4.820 4.216 4.095 4.399 . 0 0 "[ . 1 . 2 . 3 ]" 1 2200 2 1 GLY QA 2 2 PRO HG3 4.810 . 4.810 4.237 3.744 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 2201 2 2 PRO HA 2 3 LEU H 2.700 . 2.700 2.411 2.062 2.737 0.037 15 0 "[ . 1 . 2 . 3 ]" 1 2202 2 2 PRO HB2 2 3 LEU H 3.720 . 3.720 2.578 1.871 3.759 0.039 20 0 "[ . 1 . 2 . 3 ]" 1 2203 2 2 PRO HB3 2 3 LEU H 3.720 . 3.720 3.505 3.222 3.806 0.086 19 0 "[ . 1 . 2 . 3 ]" 1 2204 2 2 PRO HD2 2 3 LEU H 5.500 . 5.500 5.346 4.905 5.562 0.062 14 0 "[ . 1 . 2 . 3 ]" 1 2205 2 2 PRO HD3 2 3 LEU H 5.500 . 5.500 5.538 5.379 5.637 0.137 20 0 "[ . 1 . 2 . 3 ]" 1 2206 2 2 PRO QG 2 3 LEU H 4.680 . 4.680 4.066 3.471 4.809 0.129 20 0 "[ . 1 . 2 . 3 ]" 1 2207 2 3 LEU H 2 3 LEU HB2 3.510 . 3.510 2.493 2.208 3.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 2208 2 3 LEU H 2 3 LEU HB3 3.800 . 3.800 3.445 2.964 3.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 2209 2 3 LEU H 2 3 LEU MD1 4.540 . 4.540 4.057 3.443 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 2210 2 3 LEU H 2 3 LEU MD2 4.540 . 4.540 3.124 2.316 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 2211 2 3 LEU H 2 4 GLY HA2 5.500 . 5.500 5.471 4.680 5.677 0.177 19 0 "[ . 1 . 2 . 3 ]" 1 2212 2 3 LEU H 2 4 GLY HA3 5.500 . 5.500 4.872 4.508 5.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 2213 2 3 LEU HA 2 3 LEU MD1 3.430 . 3.430 2.081 1.894 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 2214 2 3 LEU HA 2 3 LEU MD2 3.430 . 3.430 2.532 1.869 3.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 2215 2 3 LEU HA 2 3 LEU HG 4.140 . 4.140 3.642 3.595 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 2216 2 3 LEU HA 2 4 GLY H 2.740 . 2.740 2.382 2.103 2.809 0.069 17 0 "[ . 1 . 2 . 3 ]" 1 2217 2 3 LEU HA 2 5 SER H 4.260 . 4.260 3.498 3.144 4.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 2218 2 3 LEU HB3 2 4 GLY H 5.140 . 5.140 3.072 1.727 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 2219 2 3 LEU HB3 2 4 GLY HA2 5.500 . 5.500 4.159 3.665 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 2220 2 3 LEU HB3 2 4 GLY HA3 5.500 . 5.500 4.598 4.101 5.503 0.003 6 0 "[ . 1 . 2 . 3 ]" 1 2221 2 3 LEU HB3 2 5 SER H 5.500 . 5.500 4.550 3.438 5.532 0.032 16 0 "[ . 1 . 2 . 3 ]" 1 2222 2 3 LEU MD1 2 4 GLY H 4.640 . 4.640 2.842 1.848 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1 2223 2 3 LEU MD1 2 4 GLY HA2 5.500 . 5.500 4.460 2.834 5.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 2224 2 3 LEU MD1 2 4 GLY HA3 5.500 . 5.500 4.919 3.584 5.549 0.049 3 0 "[ . 1 . 2 . 3 ]" 1 2225 2 3 LEU MD1 2 5 SER H 5.000 . 5.000 3.698 1.794 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 2226 2 3 LEU MD2 2 4 GLY H 5.070 . 5.070 4.136 2.208 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 2227 2 4 GLY H 2 5 SER H 3.320 . 3.320 2.162 1.779 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 2228 2 4 GLY H 2 5 SER HA 4.770 . 4.770 4.599 4.070 4.900 0.130 22 0 "[ . 1 . 2 . 3 ]" 1 2229 2 4 GLY H 2 5 SER QB 5.200 . 5.200 4.181 3.402 4.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 2230 2 4 GLY H 2 6 GLU H 4.690 . 4.690 3.955 2.914 4.760 0.070 31 0 "[ . 1 . 2 . 3 ]" 1 2231 2 4 GLY H 2 7 ASP HB2 5.250 . 5.250 4.470 2.816 5.378 0.128 22 0 "[ . 1 . 2 . 3 ]" 1 2232 2 4 GLY QA 2 5 SER H 3.000 . 3.000 2.825 2.524 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 2233 2 4 GLY QA 2 6 GLU H 4.670 . 4.670 4.287 3.140 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 2234 2 4 GLY QA 2 7 ASP H 5.160 . 5.160 3.619 2.854 5.086 . 0 0 "[ . 1 . 2 . 3 ]" 1 2235 2 4 GLY HA2 2 6 GLU H 5.380 . 5.380 4.555 3.253 4.970 . 0 0 "[ . 1 . 2 . 3 ]" 1 2236 2 4 GLY HA3 2 6 GLU H 5.450 . 5.450 5.320 3.253 5.624 0.174 29 0 "[ . 1 . 2 . 3 ]" 1 2237 2 5 SER H 2 5 SER HB2 3.720 . 3.720 2.980 2.456 3.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 2238 2 5 SER H 2 5 SER QB 3.130 . 3.130 2.625 2.241 3.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 2239 2 5 SER H 2 5 SER HB3 3.720 . 3.720 3.015 2.520 3.806 0.086 6 0 "[ . 1 . 2 . 3 ]" 1 2240 2 5 SER H 2 6 GLU H 3.810 . 3.810 2.631 1.917 3.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 2241 2 5 SER H 2 6 GLU QG 5.350 . 5.350 4.622 3.408 5.373 0.023 14 0 "[ . 1 . 2 . 3 ]" 1 2242 2 5 SER HA 2 6 GLU H 3.560 . 3.560 3.547 3.464 3.572 0.012 21 0 "[ . 1 . 2 . 3 ]" 1 2243 2 5 SER HA 2 6 GLU QG 5.300 . 5.300 4.542 3.881 5.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 2244 2 5 SER HA 2 7 ASP H 4.890 . 4.890 4.365 3.487 5.091 0.201 29 0 "[ . 1 . 2 . 3 ]" 1 2245 2 5 SER QB 2 6 GLU H 3.100 . 3.100 2.407 2.040 3.128 0.028 31 0 "[ . 1 . 2 . 3 ]" 1 2246 2 5 SER QB 2 6 GLU QG 4.010 . 4.010 2.712 2.395 3.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 2247 2 6 GLU H 2 6 GLU HB2 3.790 . 3.790 2.760 2.484 3.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 2248 2 6 GLU H 2 6 GLU HB3 3.950 . 3.950 3.717 3.200 3.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 2249 2 6 GLU H 2 6 GLU QG 3.360 . 3.360 2.621 1.737 3.374 0.014 12 0 "[ . 1 . 2 . 3 ]" 1 2250 2 6 GLU H 2 7 ASP H 3.380 . 3.380 2.040 1.586 2.567 . 0 0 "[ . 1 . 2 . 3 ]" 1 2251 2 6 GLU H 2 7 ASP HB2 5.080 . 5.080 4.207 3.408 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 2252 2 6 GLU HA 2 6 GLU QG 3.440 . 3.440 2.829 2.236 3.350 . 0 0 "[ . 1 . 2 . 3 ]" 1 2253 2 6 GLU HB2 2 6 GLU QG 2.690 . 2.690 2.234 2.128 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 2254 2 6 GLU HB2 2 7 ASP H 4.540 . 4.540 3.561 2.882 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1 2255 2 6 GLU HB3 2 6 GLU QG 2.690 . 2.690 2.348 2.240 2.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 2256 2 6 GLU HB3 2 7 ASP H 4.540 . 4.540 4.286 3.864 4.572 0.032 4 0 "[ . 1 . 2 . 3 ]" 1 2257 2 6 GLU QG 2 7 ASP H 4.800 . 4.800 4.181 3.300 4.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 2258 2 7 ASP H 2 7 ASP HB2 3.640 . 3.640 2.771 2.398 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 2259 2 7 ASP H 2 7 ASP HB3 3.840 . 3.840 3.391 2.830 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 2260 2 7 ASP H 2 8 ASP HA 5.500 . 5.500 5.060 4.649 5.420 . 0 0 "[ . 1 . 2 . 3 ]" 1 2261 2 7 ASP HA 2 8 ASP H 2.720 . 2.720 2.320 2.124 2.905 0.185 31 0 "[ . 1 . 2 . 3 ]" 1 2262 2 7 ASP HB2 2 8 ASP HA 5.500 . 5.500 5.018 4.180 5.648 0.148 26 0 "[ . 1 . 2 . 3 ]" 1 2263 2 7 ASP HB3 2 8 ASP H 3.850 . 3.850 3.080 1.765 4.009 0.159 29 0 "[ . 1 . 2 . 3 ]" 1 2264 2 7 ASP HB3 2 8 ASP HA 4.770 . 4.770 4.444 3.870 4.818 0.048 6 0 "[ . 1 . 2 . 3 ]" 1 2265 2 8 ASP H 2 8 ASP HB2 4.180 . 4.180 3.602 2.357 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 2266 2 8 ASP H 2 8 ASP QB 3.530 . 3.530 3.043 2.326 3.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 2267 2 8 ASP H 2 8 ASP HB3 4.180 . 4.180 3.367 3.113 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 2268 2 8 ASP H 2 9 PRO HA 5.150 . 5.150 4.607 4.287 4.888 . 0 0 "[ . 1 . 2 . 3 ]" 1 2269 2 8 ASP H 2 9 PRO HD2 4.850 . 4.850 4.670 4.183 4.888 0.038 26 0 "[ . 1 . 2 . 3 ]" 1 2270 2 8 ASP H 2 9 PRO HD3 5.210 . 5.210 3.653 3.185 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 2271 2 8 ASP H 2 9 PRO QG 5.260 . 5.260 5.178 4.665 5.459 0.199 1 0 "[ . 1 . 2 . 3 ]" 1 2272 2 8 ASP HA 2 9 PRO HB3 5.470 . 5.470 4.989 4.686 5.433 . 0 0 "[ . 1 . 2 . 3 ]" 1 2273 2 8 ASP HA 2 9 PRO HD2 2.890 . 2.890 2.315 2.084 2.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 2274 2 8 ASP HA 2 9 PRO HD3 3.010 . 3.010 2.243 1.949 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 2275 2 8 ASP HA 2 9 PRO QG 4.080 . 4.080 3.919 3.813 4.082 0.002 28 0 "[ . 1 . 2 . 3 ]" 1 2276 2 8 ASP QB 2 9 PRO HA 5.150 . 5.150 4.791 4.545 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 2277 2 8 ASP QB 2 9 PRO HD3 5.120 . 5.120 4.090 3.474 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1 2278 2 8 ASP QB 2 9 PRO QG 5.340 . 5.340 5.104 4.471 5.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 2279 2 8 ASP QB 2 83 THR MG 4.840 . 4.840 3.197 2.280 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 2280 2 8 ASP HB2 2 9 PRO HD2 4.980 . 4.980 4.199 2.818 5.049 0.069 25 0 "[ . 1 . 2 . 3 ]" 1 2281 2 8 ASP HB2 2 83 THR MG 5.500 . 5.500 3.619 2.478 5.282 . 0 0 "[ . 1 . 2 . 3 ]" 1 2282 2 8 ASP HB3 2 9 PRO HD2 4.860 . 4.860 4.444 3.725 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 2283 2 8 ASP HB3 2 83 THR MG 5.500 . 5.500 3.776 2.313 5.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 2284 2 9 PRO HA 2 10 ILE H 2.780 . 2.780 2.319 2.154 2.662 . 0 0 "[ . 1 . 2 . 3 ]" 1 2285 2 9 PRO HA 2 10 ILE HA 4.850 . 4.850 4.367 4.318 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 2286 2 9 PRO HA 2 10 ILE HB 5.500 . 5.500 5.105 4.944 5.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 2287 2 9 PRO HA 2 10 ILE MD 5.020 . 5.020 4.239 3.448 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 2288 2 9 PRO HB2 2 10 ILE H 3.410 . 3.410 2.888 2.076 3.415 0.005 16 0 "[ . 1 . 2 . 3 ]" 1 2289 2 9 PRO HB2 2 10 ILE HA 5.080 . 5.080 4.571 4.370 4.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 2290 2 9 PRO QG 2 10 ILE H 4.420 . 4.420 4.324 3.749 4.564 0.144 16 0 "[ . 1 . 2 . 3 ]" 1 2291 2 10 ILE H 2 10 ILE HB 3.160 . 3.160 2.868 2.748 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 2292 2 10 ILE H 2 10 ILE MD 4.170 . 4.170 3.465 2.882 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 2293 2 10 ILE H 2 11 PRO HD2 4.900 . 4.900 4.854 4.773 4.925 0.025 9 0 "[ . 1 . 2 . 3 ]" 1 2294 2 10 ILE H 2 11 PRO HD3 5.500 . 5.500 4.641 4.474 4.779 . 0 0 "[ . 1 . 2 . 3 ]" 1 2295 2 10 ILE H 2 15 LEU MD1 5.410 . 5.410 3.866 3.380 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 2296 2 10 ILE H 2 15 LEU QD 5.320 . 5.320 3.619 3.328 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 2297 2 10 ILE H 2 15 LEU MD2 5.410 . 5.410 4.706 3.752 5.456 0.046 31 0 "[ . 1 . 2 . 3 ]" 1 2298 2 10 ILE H 2 79 PHE QE 5.500 . 5.500 5.289 4.993 5.520 0.020 28 0 "[ . 1 . 2 . 3 ]" 1 2299 2 10 ILE H 2 79 PHE HZ 5.320 . 5.320 4.575 4.156 4.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 2300 2 10 ILE HA 2 10 ILE MD 4.150 . 4.150 2.990 2.496 3.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 2301 2 10 ILE HA 2 11 PRO HB3 5.160 . 5.160 4.883 4.813 4.983 . 0 0 "[ . 1 . 2 . 3 ]" 1 2302 2 10 ILE HA 2 11 PRO HD2 3.470 . 3.470 2.082 1.989 2.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 2303 2 10 ILE HA 2 11 PRO HD3 3.470 . 3.470 2.316 2.186 2.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 2304 2 10 ILE HA 2 14 LEU MD1 5.500 . 5.500 3.574 3.326 4.035 . 0 0 "[ . 1 . 2 . 3 ]" 1 2305 2 10 ILE HA 2 14 LEU QD 4.590 . 4.590 3.509 3.288 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 2306 2 10 ILE HA 2 14 LEU MD2 5.500 . 5.500 5.148 4.864 5.475 . 0 0 "[ . 1 . 2 . 3 ]" 1 2307 2 10 ILE HA 2 79 PHE QD 4.930 . 4.930 4.829 4.663 4.988 0.058 28 0 "[ . 1 . 2 . 3 ]" 1 2308 2 10 ILE HA 2 79 PHE QE 3.820 . 3.820 3.363 3.055 3.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 2309 2 10 ILE HA 2 79 PHE HZ 3.900 . 3.900 2.778 2.572 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1 2310 2 10 ILE HB 2 10 ILE MD 3.400 . 3.400 3.038 2.679 3.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 2311 2 10 ILE HB 2 11 PRO HD2 4.810 . 4.810 4.088 3.982 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1 2312 2 10 ILE HB 2 11 PRO HD3 5.110 . 5.110 4.879 4.760 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 2313 2 10 ILE HB 2 14 LEU QD 5.420 . 5.420 4.264 4.038 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 2314 2 10 ILE HB 2 15 LEU H 5.500 . 5.500 5.522 5.237 5.579 0.079 29 0 "[ . 1 . 2 . 3 ]" 1 2315 2 10 ILE HB 2 15 LEU MD1 4.060 . 4.060 1.916 1.769 2.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 2316 2 10 ILE HB 2 15 LEU QD 3.370 . 3.370 1.891 1.766 2.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 2317 2 10 ILE HB 2 15 LEU MD2 4.060 . 4.060 3.214 2.492 3.948 . 0 0 "[ . 1 . 2 . 3 ]" 1 2318 2 10 ILE HB 2 21 ASP HA 5.430 . 5.430 3.974 3.639 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 2319 2 10 ILE HB 2 22 ILE H 5.210 . 5.210 4.295 3.775 4.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 2320 2 10 ILE HB 2 79 PHE QE 5.500 . 5.500 5.298 4.877 5.535 0.035 9 0 "[ . 1 . 2 . 3 ]" 1 2321 2 10 ILE MD 2 11 PRO HD2 4.900 . 4.900 4.104 3.730 4.569 . 0 0 "[ . 1 . 2 . 3 ]" 1 2322 2 10 ILE MD 2 11 PRO HD3 5.500 . 5.500 4.798 4.253 5.509 0.009 30 0 "[ . 1 . 2 . 3 ]" 1 2323 2 10 ILE MD 2 14 LEU QD 4.690 . 4.690 3.563 3.338 3.699 . 0 0 "[ . 1 . 2 . 3 ]" 1 2324 2 10 ILE MD 2 15 LEU HA 5.500 . 5.500 4.710 4.163 5.079 . 0 0 "[ . 1 . 2 . 3 ]" 1 2325 2 10 ILE MD 2 21 ASP HA 4.910 . 4.910 3.713 2.938 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 2326 2 10 ILE MD 2 21 ASP HB2 5.500 . 5.500 5.271 4.651 5.607 0.107 31 0 "[ . 1 . 2 . 3 ]" 1 2327 2 10 ILE MD 2 21 ASP HB3 5.500 . 5.500 5.103 4.412 5.589 0.089 9 0 "[ . 1 . 2 . 3 ]" 1 2328 2 10 ILE MD 2 22 ILE H 3.930 . 3.930 2.595 1.859 3.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 2329 2 10 ILE MD 2 22 ILE HA 4.350 . 4.350 3.828 3.363 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 2330 2 10 ILE MD 2 22 ILE HB 3.260 . 3.260 1.899 1.730 2.079 . 0 0 "[ . 1 . 2 . 3 ]" 1 2331 2 10 ILE MD 2 22 ILE MD 3.210 . 3.210 2.693 2.372 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 2332 2 10 ILE MD 2 23 MET H 5.500 . 5.500 5.348 5.013 5.577 0.077 8 0 "[ . 1 . 2 . 3 ]" 1 2333 2 10 ILE MD 2 79 PHE QB 5.500 . 5.500 5.417 5.110 5.566 0.066 3 0 "[ . 1 . 2 . 3 ]" 1 2334 2 10 ILE MD 2 79 PHE QD 4.880 . 4.880 4.050 3.827 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 2335 2 10 ILE MD 2 79 PHE QE 3.620 . 3.620 2.368 2.208 2.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 2336 2 10 ILE MD 2 79 PHE HZ 3.840 . 3.840 2.778 2.228 3.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 2337 2 10 ILE MD 2 80 LYS QE 5.340 . 5.340 4.684 3.460 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 2338 2 10 ILE MD 2 80 LYS HG2 5.500 . 5.500 4.909 4.696 5.584 0.084 31 0 "[ . 1 . 2 . 3 ]" 1 2339 2 10 ILE MD 2 85 TYR HB2 5.410 . 5.410 4.010 3.643 4.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 2340 2 10 ILE MD 2 85 TYR QD 3.720 . 3.720 2.768 2.518 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 2341 2 10 ILE MD 2 85 TYR QE 3.760 . 3.760 2.358 1.957 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 2342 2 11 PRO HA 2 12 ASP H 2.650 . 2.650 2.244 2.185 2.302 . 0 0 "[ . 1 . 2 . 3 ]" 1 2343 2 11 PRO HA 2 12 ASP QB 4.140 . 4.140 4.111 4.048 4.183 0.043 15 0 "[ . 1 . 2 . 3 ]" 1 2344 2 11 PRO HA 2 13 GLU H 4.500 . 4.500 3.936 3.729 4.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 2345 2 11 PRO HB2 2 12 ASP H 3.600 . 3.600 3.054 2.900 3.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 2346 2 11 PRO HB2 2 12 ASP HA 5.500 . 5.500 4.859 4.719 4.983 . 0 0 "[ . 1 . 2 . 3 ]" 1 2347 2 11 PRO HB2 2 12 ASP QB 5.500 . 5.500 4.612 4.278 4.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 2348 2 11 PRO HB2 2 13 GLU H 4.990 . 4.990 2.409 2.203 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1 2349 2 11 PRO HB2 2 13 GLU HA 5.500 . 5.500 5.002 4.768 5.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 2350 2 11 PRO HB2 2 14 LEU H 4.530 . 4.530 3.995 3.864 4.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 2351 2 11 PRO HB2 2 14 LEU QD 4.190 . 4.190 3.749 3.527 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 2352 2 11 PRO HB2 2 14 LEU HG 5.500 . 5.500 3.781 3.536 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 2353 2 11 PRO HB2 2 15 LEU H 5.500 . 5.500 5.455 5.222 5.559 0.059 15 0 "[ . 1 . 2 . 3 ]" 1 2354 2 11 PRO HB3 2 12 ASP H 4.010 . 4.010 3.715 3.601 3.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 2355 2 11 PRO HB3 2 12 ASP QB 5.500 . 5.500 5.439 5.239 5.614 0.114 24 0 "[ . 1 . 2 . 3 ]" 1 2356 2 11 PRO HB3 2 13 GLU H 4.990 . 4.990 4.085 3.857 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 2357 2 11 PRO HB3 2 14 LEU H 5.500 . 5.500 5.504 5.361 5.558 0.058 1 0 "[ . 1 . 2 . 3 ]" 1 2358 2 11 PRO HB3 2 14 LEU QD 4.720 . 4.720 4.310 4.106 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 2359 2 11 PRO HB3 2 79 PHE QE 5.500 . 5.500 5.341 4.884 5.540 0.040 29 0 "[ . 1 . 2 . 3 ]" 1 2360 2 11 PRO HD2 2 14 LEU MD1 4.880 . 4.880 2.234 1.933 2.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 2361 2 11 PRO HD2 2 14 LEU QD 3.850 . 3.850 2.200 1.924 2.627 . 0 0 "[ . 1 . 2 . 3 ]" 1 2362 2 11 PRO HD2 2 14 LEU MD2 4.880 . 4.880 3.391 3.186 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 2363 2 11 PRO HD2 2 14 LEU HG 4.750 . 4.750 3.154 2.809 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1 2364 2 11 PRO HD2 2 22 ILE MD 5.120 . 5.120 4.398 3.429 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 2365 2 11 PRO HD2 2 79 PHE QD 4.390 . 4.390 3.990 3.808 4.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 2366 2 11 PRO HD2 2 79 PHE QE 4.170 . 4.170 3.334 2.879 3.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 2367 2 11 PRO HD2 2 79 PHE HZ 5.230 . 5.230 3.728 3.385 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 2368 2 11 PRO HD3 2 14 LEU QD 3.960 . 3.960 3.443 3.197 3.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 2369 2 11 PRO HD3 2 79 PHE QD 4.390 . 4.390 4.135 3.664 4.406 0.016 6 0 "[ . 1 . 2 . 3 ]" 1 2370 2 11 PRO HD3 2 79 PHE QE 4.020 . 4.020 2.819 2.577 3.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 2371 2 11 PRO HD3 2 79 PHE HZ 4.500 . 4.500 3.743 3.124 4.105 . 0 0 "[ . 1 . 2 . 3 ]" 1 2372 2 11 PRO HG2 2 12 ASP H 5.030 . 5.030 4.713 4.614 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 2373 2 11 PRO HG2 2 14 LEU H 4.140 . 4.140 3.589 3.358 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 1 2374 2 11 PRO HG2 2 14 LEU MD1 4.790 . 4.790 2.786 2.260 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1 2375 2 11 PRO HG2 2 14 LEU QD 3.770 . 3.770 2.215 2.060 2.500 . 0 0 "[ . 1 . 2 . 3 ]" 1 2376 2 11 PRO HG2 2 14 LEU MD2 4.790 . 4.790 2.337 2.146 2.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 2377 2 11 PRO HG2 2 14 LEU HG 4.640 . 4.640 2.038 1.882 2.332 . 0 0 "[ . 1 . 2 . 3 ]" 1 2378 2 11 PRO HG2 2 15 LEU H 4.980 . 4.980 5.016 4.971 5.062 0.082 10 0 "[ . 1 . 2 . 3 ]" 1 2379 2 11 PRO HG2 2 79 PHE QD 5.130 . 5.130 4.559 4.363 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 2380 2 11 PRO HG2 2 79 PHE QE 5.010 . 5.010 4.714 4.369 4.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 2381 2 11 PRO HG3 2 12 ASP H 5.500 . 5.500 5.383 5.287 5.469 . 0 0 "[ . 1 . 2 . 3 ]" 1 2382 2 11 PRO HG3 2 14 LEU H 5.500 . 5.500 5.309 5.096 5.465 . 0 0 "[ . 1 . 2 . 3 ]" 1 2383 2 11 PRO HG3 2 14 LEU MD1 5.060 . 5.060 3.630 3.142 4.170 . 0 0 "[ . 1 . 2 . 3 ]" 1 2384 2 11 PRO HG3 2 14 LEU QD 3.730 . 3.730 2.820 2.618 3.270 . 0 0 "[ . 1 . 2 . 3 ]" 1 2385 2 11 PRO HG3 2 14 LEU MD2 5.060 . 5.060 2.947 2.704 3.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 2386 2 11 PRO HG3 2 14 LEU HG 5.500 . 5.500 3.723 3.567 4.035 . 0 0 "[ . 1 . 2 . 3 ]" 1 2387 2 11 PRO HG3 2 79 PHE QD 4.100 . 4.100 3.890 3.398 4.139 0.039 12 0 "[ . 1 . 2 . 3 ]" 1 2388 2 11 PRO HG3 2 79 PHE QE 4.580 . 4.580 3.859 3.391 4.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 2389 2 12 ASP H 2 12 ASP QB 2.800 . 2.800 2.189 2.051 2.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 2390 2 12 ASP H 2 13 GLU H 3.920 . 3.920 2.737 2.639 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 2391 2 12 ASP H 2 14 LEU H 4.750 . 4.750 4.413 4.329 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1 2392 2 12 ASP H 2 15 LEU H 5.260 . 5.260 5.046 4.815 5.148 . 0 0 "[ . 1 . 2 . 3 ]" 1 2393 2 12 ASP H 2 15 LEU HB2 5.500 . 5.500 4.968 3.916 5.519 0.019 6 0 "[ . 1 . 2 . 3 ]" 1 2394 2 12 ASP H 2 15 LEU QD 4.040 . 4.040 3.781 3.595 4.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 2395 2 12 ASP HA 2 14 LEU H 4.180 . 4.180 3.416 3.170 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 2396 2 12 ASP HA 2 15 LEU H 3.960 . 3.960 3.033 2.630 3.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 2397 2 12 ASP HA 2 15 LEU HB2 5.280 . 5.280 3.609 2.140 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1 2398 2 12 ASP HA 2 15 LEU HB3 4.480 . 4.480 2.074 1.880 2.332 . 0 0 "[ . 1 . 2 . 3 ]" 1 2399 2 12 ASP HA 2 15 LEU MD1 4.410 . 4.410 4.384 2.862 4.681 0.271 4 0 "[ . 1 . 2 . 3 ]" 1 2400 2 12 ASP HA 2 15 LEU QD 3.110 . 3.110 2.506 2.207 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 2401 2 12 ASP HA 2 15 LEU MD2 4.410 . 4.410 2.588 2.214 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 2402 2 12 ASP HA 2 15 LEU HG 4.750 . 4.750 4.100 3.600 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 2403 2 12 ASP QB 2 13 GLU H 3.760 . 3.760 3.321 2.675 3.850 0.090 6 0 "[ . 1 . 2 . 3 ]" 1 2404 2 12 ASP QB 2 14 LEU H 5.070 . 5.070 4.683 4.547 4.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 2405 2 12 ASP QB 2 15 LEU H 5.500 . 5.500 4.729 4.345 4.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 2406 2 12 ASP QB 2 15 LEU HB3 5.500 . 5.500 3.953 3.299 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 2407 2 12 ASP QB 2 15 LEU QD 3.790 . 3.790 3.216 2.801 3.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 2408 2 12 ASP QB 2 15 LEU HG 5.500 . 5.500 5.378 4.921 5.663 0.163 25 0 "[ . 1 . 2 . 3 ]" 1 2409 2 13 GLU H 2 13 GLU HG2 5.000 . 5.000 2.104 1.793 3.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 2410 2 13 GLU H 2 13 GLU HG3 4.760 . 4.760 3.475 2.675 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 2411 2 13 GLU H 2 14 LEU H 4.140 . 4.140 2.674 2.422 2.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 2412 2 13 GLU HG2 2 14 LEU H 5.500 . 5.500 3.125 2.712 5.594 0.094 26 0 "[ . 1 . 2 . 3 ]" 1 2413 2 13 GLU HG3 2 14 LEU H 5.500 . 5.500 4.193 3.488 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 2414 2 14 LEU H 2 14 LEU HB2 4.150 . 4.150 3.950 3.884 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 2415 2 14 LEU H 2 14 LEU HB3 4.090 . 4.090 3.594 3.527 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1 2416 2 14 LEU H 2 14 LEU MD1 4.340 . 4.340 3.673 3.036 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 2417 2 14 LEU H 2 14 LEU QD 3.820 . 3.820 3.279 2.952 3.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 2418 2 14 LEU H 2 14 LEU MD2 4.340 . 4.340 3.712 3.511 4.027 . 0 0 "[ . 1 . 2 . 3 ]" 1 2419 2 14 LEU H 2 14 LEU HG 4.210 . 4.210 2.433 2.283 2.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 2420 2 14 LEU H 2 15 LEU H 3.430 . 3.430 1.782 1.653 1.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 2421 2 14 LEU H 2 15 LEU HB2 5.500 . 5.500 3.879 3.171 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 2422 2 14 LEU H 2 15 LEU HB3 5.500 . 5.500 3.317 3.192 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 2423 2 14 LEU H 2 15 LEU MD1 5.500 . 5.500 5.335 4.819 5.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 2424 2 14 LEU H 2 15 LEU QD 5.440 . 5.440 4.456 4.268 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 2425 2 14 LEU H 2 15 LEU MD2 5.500 . 5.500 4.803 4.464 5.518 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 2426 2 14 LEU H 2 15 LEU HG 5.500 . 5.500 5.635 5.343 5.736 0.236 17 0 "[ . 1 . 2 . 3 ]" 1 2427 2 14 LEU H 2 72 LEU QD 5.440 . 5.440 3.898 3.795 4.047 . 0 0 "[ . 1 . 2 . 3 ]" 1 2428 2 14 LEU HA 2 14 LEU MD1 4.280 . 4.280 3.835 3.688 3.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 2429 2 14 LEU HA 2 14 LEU QD 3.470 . 3.470 3.443 3.408 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 2430 2 14 LEU HA 2 14 LEU MD2 4.280 . 4.280 3.900 3.797 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 2431 2 14 LEU HA 2 23 MET ME 4.250 . 4.250 2.834 2.364 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 2432 2 14 LEU HA 2 72 LEU MD1 5.500 . 5.500 2.007 1.739 3.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 2433 2 14 LEU HA 2 72 LEU QD 3.300 . 3.300 1.794 1.695 1.916 . 0 0 "[ . 1 . 2 . 3 ]" 1 2434 2 14 LEU HA 2 72 LEU MD2 4.220 . 4.220 2.674 1.699 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 2435 2 14 LEU HA 2 72 LEU HG 5.420 . 5.420 4.104 3.621 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 2436 2 14 LEU HA 2 75 ALA MB 4.330 . 4.330 4.304 4.030 4.402 0.072 20 0 "[ . 1 . 2 . 3 ]" 1 2437 2 14 LEU HB2 2 14 LEU QD 3.130 . 3.130 2.071 2.058 2.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 2438 2 14 LEU HB2 2 15 LEU H 5.110 . 5.110 4.359 4.281 4.405 . 0 0 "[ . 1 . 2 . 3 ]" 1 2439 2 14 LEU HB2 2 22 ILE MD 5.050 . 5.050 3.556 3.286 3.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 2440 2 14 LEU HB2 2 23 MET ME 5.310 . 5.310 4.094 3.786 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 2441 2 14 LEU HB2 2 76 VAL HA 5.130 . 5.130 3.207 2.974 3.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 2442 2 14 LEU HB3 2 22 ILE MD 5.050 . 5.050 4.873 4.588 5.058 0.008 18 0 "[ . 1 . 2 . 3 ]" 1 2443 2 14 LEU HB3 2 76 VAL HA 5.500 . 5.500 4.165 3.782 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 2444 2 14 LEU QD 2 15 LEU H 4.220 . 4.220 3.869 3.254 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 2445 2 14 LEU QD 2 15 LEU HA 4.330 . 4.330 3.636 3.211 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 2446 2 14 LEU QD 2 15 LEU HB2 5.440 . 5.440 3.700 3.279 4.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 2447 2 14 LEU QD 2 22 ILE HA 4.570 . 4.570 3.828 3.605 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 2448 2 14 LEU QD 2 22 ILE MD 3.140 . 3.140 2.109 1.704 2.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 2449 2 14 LEU QD 2 23 MET H 5.180 . 5.180 4.403 4.064 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 2450 2 14 LEU QD 2 23 MET ME 4.700 . 4.700 4.389 4.152 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 2451 2 14 LEU QD 2 72 LEU QD 4.180 . 4.180 3.466 3.291 3.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 2452 2 14 LEU QD 2 75 ALA HA 5.440 . 5.440 3.903 3.656 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 2453 2 14 LEU QD 2 75 ALA MB 3.760 . 3.760 2.262 1.971 2.560 . 0 0 "[ . 1 . 2 . 3 ]" 1 2454 2 14 LEU QD 2 76 VAL H 4.440 . 4.440 3.666 3.220 3.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 2455 2 14 LEU QD 2 76 VAL HA 3.310 . 3.310 2.364 2.180 2.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 2456 2 14 LEU QD 2 76 VAL HB 4.530 . 4.530 4.469 4.218 4.591 0.061 14 0 "[ . 1 . 2 . 3 ]" 1 2457 2 14 LEU QD 2 78 ASN QB 5.440 . 5.440 4.875 4.441 5.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 2458 2 14 LEU QD 2 79 PHE H 4.630 . 4.630 3.809 3.625 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 2459 2 14 LEU QD 2 79 PHE HA 5.280 . 5.280 4.211 4.075 4.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 2460 2 14 LEU QD 2 79 PHE QB 3.420 . 3.420 2.270 2.156 2.391 . 0 0 "[ . 1 . 2 . 3 ]" 1 2461 2 14 LEU QD 2 79 PHE QD 3.290 . 3.290 2.700 2.581 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 2462 2 14 LEU QD 2 79 PHE QE 4.300 . 4.300 3.308 3.139 3.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 2463 2 14 LEU QD 2 79 PHE HZ 5.210 . 5.210 4.031 3.824 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1 2464 2 14 LEU QD 2 80 LYS H 4.800 . 4.800 4.336 4.171 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1 2465 2 14 LEU QD 2 80 LYS HG2 5.440 . 5.440 4.897 4.521 5.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 2466 2 14 LEU MD1 2 15 LEU H 4.870 . 4.870 4.052 3.295 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 2467 2 14 LEU MD1 2 22 ILE MD 4.020 . 4.020 2.117 1.710 2.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 2468 2 14 LEU MD1 2 75 ALA MB 3.860 . 3.860 3.898 3.768 4.000 0.140 31 0 "[ . 1 . 2 . 3 ]" 1 2469 2 14 LEU MD1 2 76 VAL H 5.500 . 5.500 4.365 4.228 4.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 2470 2 14 LEU MD1 2 76 VAL HA 3.870 . 3.870 2.444 2.221 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 2471 2 14 LEU MD1 2 79 PHE H 5.500 . 5.500 4.533 4.344 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 2472 2 14 LEU MD1 2 79 PHE QB 4.330 . 4.330 2.588 2.445 3.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 2473 2 14 LEU MD1 2 79 PHE QD 4.170 . 4.170 2.873 2.701 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 2474 2 14 LEU MD1 2 80 LYS H 5.460 . 5.460 4.600 4.397 5.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 2475 2 14 LEU MD2 2 15 LEU H 4.870 . 4.870 4.933 4.897 5.040 0.170 31 0 "[ . 1 . 2 . 3 ]" 1 2476 2 14 LEU MD2 2 22 ILE MD 4.020 . 4.020 3.913 3.216 4.032 0.012 15 0 "[ . 1 . 2 . 3 ]" 1 2477 2 14 LEU MD2 2 75 ALA MB 3.860 . 3.860 2.277 1.976 2.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 2478 2 14 LEU MD2 2 76 VAL H 5.500 . 5.500 3.953 3.288 4.277 . 0 0 "[ . 1 . 2 . 3 ]" 1 2479 2 14 LEU MD2 2 76 VAL HA 3.870 . 3.870 3.249 2.377 3.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 2480 2 14 LEU MD2 2 79 PHE H 5.500 . 5.500 4.103 3.803 4.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 2481 2 14 LEU MD2 2 79 PHE QB 4.330 . 4.330 2.524 2.347 2.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 2482 2 14 LEU MD2 2 79 PHE QD 4.170 . 4.170 3.309 3.025 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1 2483 2 14 LEU MD2 2 80 LYS H 5.460 . 5.460 5.328 4.956 5.493 0.033 29 0 "[ . 1 . 2 . 3 ]" 1 2484 2 14 LEU HG 2 15 LEU H 4.610 . 4.610 3.705 3.599 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1 2485 2 14 LEU HG 2 76 VAL HA 5.500 . 5.500 5.158 4.923 5.330 . 0 0 "[ . 1 . 2 . 3 ]" 1 2486 2 14 LEU HG 2 79 PHE QD 5.500 . 5.500 5.050 4.852 5.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 2487 2 15 LEU H 2 15 LEU HB2 3.780 . 3.780 3.141 2.403 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 2488 2 15 LEU H 2 15 LEU HB3 3.780 . 3.780 2.359 2.294 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 2489 2 15 LEU H 2 15 LEU MD1 4.610 . 4.610 4.442 4.232 4.613 0.003 7 0 "[ . 1 . 2 . 3 ]" 1 2490 2 15 LEU H 2 15 LEU MD2 4.610 . 4.610 3.994 3.525 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1 2491 2 15 LEU H 2 15 LEU HG 4.300 . 4.300 4.195 4.049 4.408 0.108 31 0 "[ . 1 . 2 . 3 ]" 1 2492 2 15 LEU H 2 16 CYS H 4.650 . 4.650 4.421 4.285 4.508 . 0 0 "[ . 1 . 2 . 3 ]" 1 2493 2 15 LEU H 2 23 MET ME 4.570 . 4.570 3.393 3.125 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 2494 2 15 LEU HA 2 15 LEU QD 3.480 . 3.480 2.621 2.148 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 2495 2 15 LEU HA 2 16 CYS H 3.270 . 3.270 2.191 2.146 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 2496 2 15 LEU HA 2 16 CYS HB2 5.210 . 5.210 4.642 4.565 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 2497 2 15 LEU HA 2 16 CYS HB3 4.770 . 4.770 4.629 4.495 4.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 2498 2 15 LEU HA 2 21 ASP H 5.330 . 5.330 5.017 4.777 5.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 2499 2 15 LEU HA 2 21 ASP HA 5.360 . 5.360 4.787 4.501 5.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 2500 2 15 LEU HA 2 22 ILE HB 5.440 . 5.440 4.323 4.117 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 2501 2 15 LEU HA 2 22 ILE MD 5.130 . 5.130 4.828 3.922 5.159 0.029 25 0 "[ . 1 . 2 . 3 ]" 1 2502 2 15 LEU HA 2 23 MET H 5.100 . 5.100 4.032 3.548 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 2503 2 15 LEU HA 2 23 MET ME 4.950 . 4.950 3.056 2.842 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1 2504 2 15 LEU HA 2 23 MET HG2 5.500 . 5.500 5.204 3.732 5.531 0.031 22 0 "[ . 1 . 2 . 3 ]" 1 2505 2 15 LEU HA 2 23 MET HG3 5.000 . 5.000 3.934 3.563 4.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 2506 2 15 LEU HB2 2 16 CYS H 4.540 . 4.540 4.059 3.801 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 2507 2 15 LEU HB3 2 16 CYS H 4.460 . 4.460 4.324 3.906 4.475 0.015 22 0 "[ . 1 . 2 . 3 ]" 1 2508 2 15 LEU QD 2 16 CYS H 3.590 . 3.590 2.780 1.996 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 2509 2 15 LEU QD 2 16 CYS HB2 5.290 . 5.290 4.772 4.283 5.193 . 0 0 "[ . 1 . 2 . 3 ]" 1 2510 2 15 LEU QD 2 16 CYS HB3 4.750 . 4.750 4.005 3.433 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1 2511 2 15 LEU QD 2 20 LYS H 4.680 . 4.680 4.027 3.542 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 2512 2 15 LEU QD 2 21 ASP H 3.820 . 3.820 2.855 2.511 3.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 2513 2 15 LEU QD 2 21 ASP HA 3.280 . 3.280 2.244 1.934 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 2514 2 15 LEU QD 2 22 ILE H 4.460 . 4.460 3.222 2.935 4.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 2515 2 15 LEU QD 2 22 ILE HA 5.440 . 5.440 3.358 3.042 3.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 2516 2 15 LEU QD 2 23 MET HG3 5.360 . 5.360 4.841 4.408 5.399 0.039 31 0 "[ . 1 . 2 . 3 ]" 1 2517 2 15 LEU MD1 2 16 CYS H 5.310 . 5.310 3.045 2.056 4.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 2518 2 15 LEU MD1 2 20 LYS HA 5.460 . 5.460 2.907 2.467 3.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 2519 2 15 LEU MD1 2 20 LYS HB3 4.590 . 4.590 3.799 3.569 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 2520 2 15 LEU MD1 2 21 ASP H 5.320 . 5.320 3.044 2.634 4.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 2521 2 15 LEU MD1 2 21 ASP HA 4.310 . 4.310 2.325 1.937 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1 2522 2 15 LEU MD1 2 22 ILE H 5.500 . 5.500 3.315 2.946 5.547 0.047 25 0 "[ . 1 . 2 . 3 ]" 1 2523 2 15 LEU MD2 2 16 CYS H 5.040 . 5.040 4.212 1.998 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1 2524 2 15 LEU MD2 2 20 LYS HA 4.920 . 4.920 3.170 2.235 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 2525 2 15 LEU MD2 2 20 LYS HB3 4.740 . 4.740 4.196 3.550 4.774 0.034 20 0 "[ . 1 . 2 . 3 ]" 1 2526 2 15 LEU MD2 2 21 ASP H 5.160 . 5.160 4.450 2.520 5.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 2527 2 15 LEU MD2 2 21 ASP HA 4.380 . 4.380 4.313 2.794 4.471 0.091 23 0 "[ . 1 . 2 . 3 ]" 1 2528 2 15 LEU MD2 2 22 ILE H 5.500 . 5.500 5.566 4.322 5.743 0.243 8 0 "[ . 1 . 2 . 3 ]" 1 2529 2 15 LEU HG 2 16 CYS H 5.180 . 5.180 3.025 2.410 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 2530 2 15 LEU HG 2 20 LYS HA 5.500 . 5.500 3.662 3.310 4.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 2531 2 16 CYS H 2 16 CYS HB2 3.720 . 3.720 2.695 2.607 2.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 2532 2 16 CYS H 2 16 CYS HB3 3.600 . 3.600 2.454 2.399 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1 2533 2 16 CYS H 2 17 LEU QD 5.440 . 5.440 4.735 4.329 5.448 0.008 10 0 "[ . 1 . 2 . 3 ]" 1 2534 2 16 CYS H 2 21 ASP H 4.170 . 4.170 3.477 3.320 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1 2535 2 16 CYS H 2 21 ASP HA 4.700 . 4.700 4.466 4.322 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 2536 2 16 CYS H 2 22 ILE HA 4.240 . 4.240 2.865 2.706 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1 2537 2 16 CYS H 2 23 MET H 5.110 . 5.110 4.083 3.847 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1 2538 2 16 CYS H 2 23 MET ME 3.820 . 3.820 2.757 2.523 3.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 2539 2 16 CYS H 2 23 MET HG2 4.700 . 4.700 3.829 2.505 4.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 2540 2 16 CYS H 2 23 MET HG3 4.310 . 4.310 2.733 2.466 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1 2541 2 16 CYS HA 2 17 LEU QD 4.120 . 4.120 3.440 2.936 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 2542 2 16 CYS HA 2 17 LEU HG 5.500 . 5.500 3.640 3.304 5.787 0.287 25 0 "[ . 1 . 2 . 3 ]" 1 2543 2 16 CYS HA 2 18 ILE H 4.430 . 4.430 3.777 3.539 3.865 . 0 0 "[ . 1 . 2 . 3 ]" 1 2544 2 16 CYS HA 2 19 CYS H 5.420 . 5.420 4.860 4.778 4.940 . 0 0 "[ . 1 . 2 . 3 ]" 1 2545 2 16 CYS HA 2 23 MET ME 3.670 . 3.670 2.632 2.183 2.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 2546 2 16 CYS HA 2 23 MET HG2 4.730 . 4.730 3.738 3.320 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1 2547 2 16 CYS HA 2 23 MET HG3 5.340 . 5.340 3.878 3.590 4.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 2548 2 16 CYS HA 2 36 TYR HA 3.770 . 3.770 2.796 2.631 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2549 2 16 CYS HA 2 36 TYR QD 5.500 . 5.500 3.145 2.894 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1 2550 2 16 CYS HB2 2 17 LEU H 5.380 . 5.380 4.216 4.106 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1 2551 2 16 CYS HB2 2 18 ILE H 5.060 . 5.060 4.728 4.528 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 2552 2 16 CYS HB2 2 19 CYS H 4.730 . 4.730 4.420 4.320 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 2553 2 16 CYS HB2 2 20 LYS H 5.500 . 5.500 5.486 5.374 5.577 0.077 16 0 "[ . 1 . 2 . 3 ]" 1 2554 2 16 CYS HB2 2 21 ASP H 5.230 . 5.230 4.474 4.238 4.685 . 0 0 "[ . 1 . 2 . 3 ]" 1 2555 2 16 CYS HB2 2 23 MET H 5.500 . 5.500 4.565 4.234 4.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 2556 2 16 CYS HB2 2 23 MET HA 5.500 . 5.500 4.929 4.265 5.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 2557 2 16 CYS HB2 2 23 MET HB3 5.430 . 5.430 3.201 2.356 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 2558 2 16 CYS HB2 2 23 MET ME 4.140 . 4.140 2.796 2.587 3.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 2559 2 16 CYS HB2 2 23 MET HG2 4.190 . 4.190 1.951 1.876 2.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 2560 2 16 CYS HB2 2 23 MET HG3 4.190 . 4.190 2.092 1.862 3.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 2561 2 16 CYS HB2 2 26 ALA MB 5.290 . 5.290 4.919 4.439 5.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 2562 2 16 CYS HB2 2 36 TYR HA 5.270 . 5.270 2.870 2.686 3.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 2563 2 16 CYS HB2 2 37 CYS H 4.180 . 4.180 2.773 2.564 2.992 . 0 0 "[ . 1 . 2 . 3 ]" 1 2564 2 16 CYS HB3 2 18 ILE H 4.850 . 4.850 4.322 4.181 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 2565 2 16 CYS HB3 2 18 ILE MD 5.500 . 5.500 5.428 5.310 5.527 0.027 15 0 "[ . 1 . 2 . 3 ]" 1 2566 2 16 CYS HB3 2 19 CYS H 4.210 . 4.210 3.217 3.065 3.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 2567 2 16 CYS HB3 2 20 LYS H 4.490 . 4.490 3.968 3.807 4.109 . 0 0 "[ . 1 . 2 . 3 ]" 1 2568 2 16 CYS HB3 2 20 LYS HA 5.500 . 5.500 4.803 4.515 5.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 2569 2 16 CYS HB3 2 21 ASP H 3.660 . 3.660 2.783 2.560 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 2570 2 16 CYS HB3 2 23 MET ME 4.960 . 4.960 3.936 3.711 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1 2571 2 16 CYS HB3 2 23 MET HG2 4.460 . 4.460 3.528 2.932 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 2572 2 16 CYS HB3 2 23 MET HG3 5.080 . 5.080 3.057 2.798 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 2573 2 16 CYS HB3 2 36 TYR HA 5.500 . 5.500 4.394 4.266 4.570 . 0 0 "[ . 1 . 2 . 3 ]" 1 2574 2 17 LEU H 2 17 LEU MD1 4.280 . 4.280 3.361 1.756 3.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 2575 2 17 LEU H 2 17 LEU QD 3.630 . 3.630 2.428 1.754 2.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 2576 2 17 LEU H 2 17 LEU MD2 4.280 . 4.280 2.644 2.241 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 2577 2 17 LEU H 2 17 LEU HG 4.200 . 4.200 1.935 1.714 3.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 2578 2 17 LEU H 2 18 ILE H 4.470 . 4.470 2.466 2.301 2.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 2579 2 17 LEU H 2 21 ASP H 5.500 . 5.500 5.476 5.355 5.564 0.064 31 0 "[ . 1 . 2 . 3 ]" 1 2580 2 17 LEU H 2 36 TYR HA 4.750 . 4.750 4.121 3.870 4.565 . 0 0 "[ . 1 . 2 . 3 ]" 1 2581 2 17 LEU HA 2 17 LEU MD1 4.250 . 4.250 3.900 2.108 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1 2582 2 17 LEU HA 2 17 LEU QD 4.040 . 4.040 2.494 2.099 3.382 . 0 0 "[ . 1 . 2 . 3 ]" 1 2583 2 17 LEU HA 2 17 LEU MD2 4.250 . 4.250 2.596 2.297 3.874 . 0 0 "[ . 1 . 2 . 3 ]" 1 2584 2 17 LEU HA 2 17 LEU HG 3.680 . 3.680 3.401 2.498 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 2585 2 17 LEU HA 2 19 CYS H 5.090 . 5.090 4.775 4.477 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 2586 2 17 LEU HA 2 20 LYS H 3.910 . 3.910 3.410 3.082 3.603 . 0 0 "[ . 1 . 2 . 3 ]" 1 2587 2 17 LEU HA 2 20 LYS HD2 4.220 . 4.220 3.953 2.411 4.280 0.060 6 0 "[ . 1 . 2 . 3 ]" 1 2588 2 17 LEU HA 2 20 LYS HD3 4.220 . 4.220 2.848 2.395 4.247 0.027 20 0 "[ . 1 . 2 . 3 ]" 1 2589 2 17 LEU HA 2 20 LYS QE 3.900 . 3.900 3.326 2.685 3.879 . 0 0 "[ . 1 . 2 . 3 ]" 1 2590 2 17 LEU HB2 2 17 LEU MD1 3.600 . 3.600 2.244 2.084 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 2591 2 17 LEU HB2 2 17 LEU QD 2.980 . 2.980 2.180 2.046 2.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 2592 2 17 LEU HB2 2 17 LEU MD2 3.600 . 3.600 3.135 2.170 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 2593 2 17 LEU HB2 2 18 ILE H 4.450 . 4.450 2.805 2.561 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 2594 2 17 LEU HB2 2 36 TYR QD 5.280 . 5.280 3.221 2.488 4.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 2595 2 17 LEU HB3 2 17 LEU MD1 3.600 . 3.600 2.528 2.409 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 2596 2 17 LEU HB3 2 17 LEU QD 2.980 . 2.980 2.144 2.071 2.562 . 0 0 "[ . 1 . 2 . 3 ]" 1 2597 2 17 LEU HB3 2 17 LEU MD2 3.600 . 3.600 2.338 2.110 2.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 2598 2 17 LEU HB3 2 18 ILE H 4.450 . 4.450 4.013 3.486 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 2599 2 17 LEU HB3 2 36 TYR QD 4.990 . 4.990 4.582 4.170 4.998 0.008 16 0 "[ . 1 . 2 . 3 ]" 1 2600 2 17 LEU QD 2 18 ILE H 3.910 . 3.910 3.822 3.296 3.927 0.017 15 0 "[ . 1 . 2 . 3 ]" 1 2601 2 17 LEU QD 2 20 LYS H 5.440 . 5.440 5.015 4.818 5.344 . 0 0 "[ . 1 . 2 . 3 ]" 1 2602 2 17 LEU QD 2 20 LYS QE 5.270 . 5.270 3.985 3.471 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 2603 2 17 LEU QD 2 23 MET ME 4.710 . 4.710 4.351 3.617 4.718 0.008 16 0 "[ . 1 . 2 . 3 ]" 1 2604 2 17 LEU QD 2 34 ASN HA 4.440 . 4.440 4.308 3.999 4.476 0.036 16 0 "[ . 1 . 2 . 3 ]" 1 2605 2 17 LEU QD 2 34 ASN HB2 4.180 . 4.180 3.660 3.374 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1 2606 2 17 LEU QD 2 34 ASN HB3 3.610 . 3.610 2.669 2.369 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 2607 2 17 LEU QD 2 36 TYR HA 5.350 . 5.350 4.995 4.240 5.298 . 0 0 "[ . 1 . 2 . 3 ]" 1 2608 2 17 LEU QD 2 36 TYR HB3 4.720 . 4.720 4.837 4.127 4.985 0.265 22 0 "[ . 1 . 2 . 3 ]" 1 2609 2 17 LEU QD 2 36 TYR QD 4.030 . 4.030 3.198 2.493 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 2610 2 17 LEU QD 2 36 TYR QE 3.280 . 3.280 1.839 1.788 1.958 . 0 0 "[ . 1 . 2 . 3 ]" 1 2611 2 17 LEU QD 2 36 TYR HH 4.590 . 4.590 2.606 2.248 4.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 2612 2 17 LEU QD 2 55 THR H 5.440 . 5.440 5.196 4.511 5.347 . 0 0 "[ . 1 . 2 . 3 ]" 1 2613 2 17 LEU QD 2 55 THR HA 5.440 . 5.440 3.581 2.965 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1 2614 2 17 LEU QD 2 55 THR HB 4.300 . 4.300 2.700 2.280 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 2615 2 17 LEU QD 2 55 THR MG 3.200 . 3.200 3.321 2.913 3.423 0.223 30 0 "[ . 1 . 2 . 3 ]" 1 2616 2 17 LEU QD 2 56 CYS H 5.440 . 5.440 5.435 5.028 5.524 0.084 29 0 "[ . 1 . 2 . 3 ]" 1 2617 2 17 LEU MD1 2 18 ILE H 4.740 . 4.740 4.262 3.449 4.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 2618 2 17 LEU MD1 2 36 TYR QE 4.350 . 4.350 1.906 1.792 3.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 2619 2 17 LEU MD1 2 36 TYR HH 5.500 . 5.500 2.702 2.261 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 2620 2 17 LEU MD1 2 55 THR HB 5.500 . 5.500 2.821 2.295 5.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 2621 2 17 LEU MD2 2 18 ILE H 4.740 . 4.740 4.360 4.176 4.896 0.156 10 0 "[ . 1 . 2 . 3 ]" 1 2622 2 17 LEU MD2 2 36 TYR QE 4.350 . 4.350 3.675 1.817 3.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 2623 2 17 LEU MD2 2 36 TYR HH 5.500 . 5.500 4.834 2.475 5.429 . 0 0 "[ . 1 . 2 . 3 ]" 1 2624 2 17 LEU MD2 2 55 THR HB 5.500 . 5.500 5.168 2.505 5.522 0.022 24 0 "[ . 1 . 2 . 3 ]" 1 2625 2 17 LEU HG 2 36 TYR QD 5.040 . 5.040 2.643 2.209 5.091 0.051 25 0 "[ . 1 . 2 . 3 ]" 1 2626 2 17 LEU HG 2 36 TYR QE 5.030 . 5.030 2.536 2.062 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 2627 2 17 LEU HG 2 55 THR MG 5.500 . 5.500 5.461 5.311 5.752 0.252 10 0 "[ . 1 . 2 . 3 ]" 1 2628 2 18 ILE H 2 18 ILE HB 3.680 . 3.680 2.727 2.684 2.781 . 0 0 "[ . 1 . 2 . 3 ]" 1 2629 2 18 ILE H 2 18 ILE MD 3.710 . 3.710 3.458 3.408 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 2630 2 18 ILE H 2 19 CYS H 3.590 . 3.590 2.971 2.865 3.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 2631 2 18 ILE H 2 19 CYS HA 5.500 . 5.500 5.422 5.355 5.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 2632 2 18 ILE H 2 20 LYS H 4.170 . 4.170 3.671 3.596 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 2633 2 18 ILE H 2 20 LYS QE 5.500 . 5.500 5.284 4.753 5.585 0.085 14 0 "[ . 1 . 2 . 3 ]" 1 2634 2 18 ILE H 2 36 TYR HB2 5.440 . 5.440 4.832 4.600 5.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 2635 2 18 ILE H 2 36 TYR HB3 4.780 . 4.780 3.333 3.128 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1 2636 2 18 ILE H 2 36 TYR QD 4.210 . 4.210 2.503 2.309 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 2637 2 18 ILE H 2 36 TYR QE 5.050 . 5.050 4.007 3.366 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 2638 2 18 ILE H 2 40 CYS QB 5.500 . 5.500 4.392 4.304 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 2639 2 18 ILE H 2 54 PRO HB2 5.500 . 5.500 5.082 4.681 5.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 2640 2 18 ILE HA 2 18 ILE MD 3.980 . 3.980 3.841 3.816 3.861 . 0 0 "[ . 1 . 2 . 3 ]" 1 2641 2 18 ILE HA 2 36 TYR QD 5.110 . 5.110 4.864 4.742 4.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 2642 2 18 ILE HA 2 54 PRO HB2 4.820 . 4.820 4.096 3.765 4.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 2643 2 18 ILE HB 2 18 ILE MD 3.170 . 3.170 2.496 2.439 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 2644 2 18 ILE HB 2 19 CYS H 3.700 . 3.700 2.332 2.175 2.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 2645 2 18 ILE HB 2 19 CYS QB 5.030 . 5.030 3.998 3.868 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 2646 2 18 ILE HB 2 20 LYS H 5.450 . 5.450 4.383 4.275 4.475 . 0 0 "[ . 1 . 2 . 3 ]" 1 2647 2 18 ILE HB 2 36 TYR QD 5.170 . 5.170 4.302 3.935 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 2648 2 18 ILE HB 2 37 CYS H 5.130 . 5.130 4.520 4.393 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 2649 2 18 ILE HB 2 40 CYS HA 5.500 . 5.500 4.595 4.444 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 2650 2 18 ILE HB 2 40 CYS QB 4.060 . 4.060 2.248 2.148 2.414 . 0 0 "[ . 1 . 2 . 3 ]" 1 2651 2 18 ILE HB 2 41 ILE H 5.500 . 5.500 5.179 5.079 5.270 . 0 0 "[ . 1 . 2 . 3 ]" 1 2652 2 18 ILE MD 2 19 CYS H 4.860 . 4.860 4.353 4.240 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1 2653 2 18 ILE MD 2 29 ILE MD 5.250 . 5.250 4.911 4.760 5.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 2654 2 18 ILE MD 2 36 TYR H 5.210 . 5.210 4.952 4.870 5.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 2655 2 18 ILE MD 2 36 TYR HA 4.820 . 4.820 4.313 4.185 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 2656 2 18 ILE MD 2 36 TYR HB2 3.840 . 3.840 2.262 2.147 2.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 2657 2 18 ILE MD 2 36 TYR HB3 3.970 . 3.970 2.423 2.188 2.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 2658 2 18 ILE MD 2 36 TYR QD 3.540 . 3.540 2.986 2.899 3.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 2659 2 18 ILE MD 2 36 TYR QE 4.160 . 4.160 3.807 3.708 3.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 2660 2 18 ILE MD 2 37 CYS H 4.530 . 4.530 3.599 3.521 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 2661 2 18 ILE MD 2 37 CYS HA 5.500 . 5.500 5.549 5.530 5.567 0.067 10 0 "[ . 1 . 2 . 3 ]" 1 2662 2 18 ILE MD 2 37 CYS HB3 5.500 . 5.500 5.624 5.588 5.688 0.188 10 0 "[ . 1 . 2 . 3 ]" 1 2663 2 18 ILE MD 2 40 CYS H 4.820 . 4.820 4.204 4.150 4.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 2664 2 18 ILE MD 2 40 CYS HA 3.980 . 3.980 3.514 3.448 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 2665 2 18 ILE MD 2 40 CYS QB 3.340 . 3.340 1.785 1.712 1.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 2666 2 18 ILE MD 2 40 CYS HB3 3.880 . 3.880 1.845 1.742 1.918 . 0 0 "[ . 1 . 2 . 3 ]" 1 2667 2 18 ILE MD 2 41 ILE H 3.900 . 3.900 2.746 2.676 2.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 2668 2 18 ILE MD 2 41 ILE HA 3.100 . 3.100 2.230 2.153 2.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 2669 2 18 ILE MD 2 41 ILE HB 4.270 . 4.270 2.764 2.651 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1 2670 2 18 ILE MD 2 41 ILE MD 3.030 . 3.030 2.458 2.330 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 2671 2 18 ILE MD 2 42 ARG H 5.500 . 5.500 4.497 4.426 4.604 . 0 0 "[ . 1 . 2 . 3 ]" 1 2672 2 18 ILE MD 2 43 THR HB 5.500 . 5.500 4.591 4.412 4.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 2673 2 18 ILE MD 2 44 ALA H 4.640 . 4.640 3.895 3.795 4.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 2674 2 18 ILE MD 2 44 ALA MB 3.540 . 3.540 2.866 2.740 2.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 2675 2 18 ILE MD 2 54 PRO HG2 3.880 . 3.880 2.923 2.811 3.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 2676 2 18 ILE MD 2 54 PRO HG3 3.430 . 3.430 2.520 2.259 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 2677 2 19 CYS H 2 19 CYS QB 3.500 . 3.500 2.956 2.906 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 2678 2 19 CYS H 2 20 LYS H 3.660 . 3.660 2.345 2.263 2.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2679 2 19 CYS H 2 20 LYS HA 4.720 . 4.720 4.466 4.372 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 2680 2 19 CYS H 2 21 ASP H 4.060 . 4.060 3.648 3.514 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 2681 2 19 CYS H 2 40 CYS QB 5.120 . 5.120 4.063 3.928 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 2682 2 19 CYS HA 2 21 ASP H 5.140 . 5.140 4.691 4.588 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 2683 2 19 CYS QB 2 20 LYS H 4.260 . 4.260 3.871 3.827 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 2684 2 19 CYS QB 2 20 LYS HA 5.500 . 5.500 5.321 5.265 5.366 . 0 0 "[ . 1 . 2 . 3 ]" 1 2685 2 19 CYS QB 2 21 ASP H 4.790 . 4.790 3.783 3.624 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 2686 2 19 CYS QB 2 21 ASP HB2 4.920 . 4.920 3.742 3.378 4.144 . 0 0 "[ . 1 . 2 . 3 ]" 1 2687 2 19 CYS QB 2 21 ASP QB 4.150 . 4.150 3.312 3.066 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2688 2 19 CYS QB 2 21 ASP HB3 5.020 . 5.020 3.730 3.280 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 2689 2 19 CYS QB 2 40 CYS QB 4.910 . 4.910 4.508 4.364 4.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 2690 2 20 LYS H 2 20 LYS HB2 4.030 . 4.030 3.407 3.021 3.556 . 0 0 "[ . 1 . 2 . 3 ]" 1 2691 2 20 LYS H 2 20 LYS HD2 4.930 . 4.930 4.313 2.613 4.883 . 0 0 "[ . 1 . 2 . 3 ]" 1 2692 2 20 LYS H 2 20 LYS HD3 4.270 . 4.270 3.283 3.016 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1 2693 2 20 LYS H 2 20 LYS QE 4.790 . 4.790 4.156 3.869 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1 2694 2 20 LYS H 2 20 LYS HG2 5.030 . 5.030 3.096 2.682 4.786 . 0 0 "[ . 1 . 2 . 3 ]" 1 2695 2 20 LYS H 2 20 LYS HG3 5.030 . 5.030 4.318 4.197 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 2696 2 20 LYS H 2 21 ASP H 3.480 . 3.480 2.837 2.772 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1 2697 2 20 LYS HA 2 20 LYS HD2 3.820 . 3.820 2.923 2.043 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1 2698 2 20 LYS HA 2 20 LYS HD3 3.820 . 3.820 2.256 1.877 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 2699 2 20 LYS HA 2 20 LYS QE 4.750 . 4.750 3.782 3.379 4.043 . 0 0 "[ . 1 . 2 . 3 ]" 1 2700 2 20 LYS HA 2 20 LYS HG2 3.790 . 3.790 3.068 2.843 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1 2701 2 20 LYS HA 2 20 LYS HG3 4.030 . 4.030 3.528 2.367 3.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 2702 2 20 LYS HA 2 21 ASP H 3.440 . 3.440 2.874 2.786 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 2703 2 20 LYS HA 2 21 ASP HA 4.620 . 4.620 4.361 4.333 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 2704 2 20 LYS HB2 2 20 LYS HD2 3.960 . 3.960 3.571 2.795 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1 2705 2 20 LYS HB2 2 20 LYS HD3 3.960 . 3.960 3.542 2.507 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1 2706 2 20 LYS HB2 2 20 LYS QE 4.740 . 4.740 4.423 4.134 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 2707 2 20 LYS HB2 2 21 ASP H 4.770 . 4.770 4.222 4.112 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 2708 2 20 LYS HB3 2 20 LYS HD2 3.980 . 3.980 2.680 2.376 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 2709 2 20 LYS HB3 2 20 LYS HD3 3.980 . 3.980 3.109 2.762 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 2710 2 20 LYS HB3 2 20 LYS QE 4.740 . 4.740 4.196 3.943 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1 2711 2 20 LYS HB3 2 21 ASP H 4.770 . 4.770 4.403 4.217 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1 2712 2 20 LYS QE 2 20 LYS HG2 3.590 . 3.590 2.515 2.307 3.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 2713 2 20 LYS QE 2 20 LYS HG3 3.230 . 3.230 2.792 2.285 3.143 . 0 0 "[ . 1 . 2 . 3 ]" 1 2714 2 21 ASP H 2 21 ASP HB2 4.040 . 4.040 3.118 2.994 3.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 2715 2 21 ASP H 2 21 ASP QB 3.260 . 3.260 2.770 2.721 2.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 2716 2 21 ASP H 2 21 ASP HB3 4.040 . 4.040 3.117 2.921 3.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 2717 2 21 ASP H 2 22 ILE H 4.470 . 4.470 4.389 4.359 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 2718 2 21 ASP HA 2 22 ILE H 3.380 . 3.380 2.454 2.394 2.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 2719 2 21 ASP HA 2 22 ILE HA 4.840 . 4.840 4.300 4.278 4.323 . 0 0 "[ . 1 . 2 . 3 ]" 1 2720 2 21 ASP HA 2 22 ILE HB 4.820 . 4.820 4.461 4.391 4.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 2721 2 21 ASP HB2 2 22 ILE H 4.130 . 4.130 3.869 3.741 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 2722 2 21 ASP HB3 2 22 ILE H 4.130 . 4.130 3.142 2.816 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 2723 2 22 ILE H 2 22 ILE HB 3.460 . 3.460 2.303 2.257 2.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 2724 2 22 ILE H 2 22 ILE MD 4.390 . 4.390 4.351 4.112 4.392 0.002 2 0 "[ . 1 . 2 . 3 ]" 1 2725 2 22 ILE H 2 85 TYR QE 4.330 . 4.330 4.103 3.660 4.358 0.028 32 0 "[ . 1 . 2 . 3 ]" 1 2726 2 22 ILE HA 2 22 ILE MD 3.880 . 3.880 3.711 3.045 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1 2727 2 22 ILE HA 2 23 MET H 3.240 . 3.240 2.358 2.298 2.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 2728 2 22 ILE HA 2 23 MET HA 4.690 . 4.690 4.447 4.394 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 2729 2 22 ILE HA 2 23 MET HB2 5.500 . 5.500 5.498 5.454 5.518 0.018 21 0 "[ . 1 . 2 . 3 ]" 1 2730 2 22 ILE HA 2 23 MET HB3 5.080 . 5.080 4.941 4.792 5.101 0.021 20 0 "[ . 1 . 2 . 3 ]" 1 2731 2 22 ILE HA 2 23 MET ME 4.800 . 4.800 3.841 3.649 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 2732 2 22 ILE HA 2 23 MET HG2 5.190 . 5.190 4.834 3.450 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1 2733 2 22 ILE HA 2 23 MET HG3 4.890 . 4.890 3.228 3.145 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1 2734 2 22 ILE HB 2 22 ILE MD 3.100 . 3.100 2.439 2.150 2.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 2735 2 22 ILE HB 2 23 MET H 4.440 . 4.440 4.054 3.941 4.118 . 0 0 "[ . 1 . 2 . 3 ]" 1 2736 2 22 ILE HB 2 79 PHE QE 5.260 . 5.260 3.733 3.531 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 2737 2 22 ILE HB 2 85 TYR QD 5.310 . 5.310 4.628 4.198 4.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2738 2 22 ILE HB 2 85 TYR QE 4.070 . 4.070 4.057 3.280 4.155 0.085 31 0 "[ . 1 . 2 . 3 ]" 1 2739 2 22 ILE MD 2 23 MET H 4.350 . 4.350 3.713 3.572 3.822 . 0 0 "[ . 1 . 2 . 3 ]" 1 2740 2 22 ILE MD 2 23 MET HA 5.500 . 5.500 5.243 5.113 5.649 0.149 31 0 "[ . 1 . 2 . 3 ]" 1 2741 2 22 ILE MD 2 76 VAL H 5.500 . 5.500 4.744 4.573 4.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 2742 2 22 ILE MD 2 76 VAL HA 3.810 . 3.810 2.362 2.166 2.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 2743 2 22 ILE MD 2 76 VAL HB 4.970 . 4.970 4.152 4.015 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 2744 2 22 ILE MD 2 77 ASN H 5.500 . 5.500 5.034 4.844 5.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 2745 2 22 ILE MD 2 79 PHE H 4.980 . 4.980 4.752 4.592 4.986 0.006 31 0 "[ . 1 . 2 . 3 ]" 1 2746 2 22 ILE MD 2 79 PHE QB 3.780 . 3.780 2.989 2.873 3.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 2747 2 22 ILE MD 2 79 PHE QD 3.360 . 3.360 2.034 1.895 2.348 . 0 0 "[ . 1 . 2 . 3 ]" 1 2748 2 22 ILE MD 2 79 PHE QE 3.370 . 3.370 2.316 2.170 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 2749 2 22 ILE MD 2 79 PHE HZ 4.450 . 4.450 4.200 4.119 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 2750 2 22 ILE MD 2 80 LYS H 4.350 . 4.350 3.604 3.454 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1 2751 2 22 ILE MD 2 80 LYS HA 4.680 . 4.680 3.944 3.675 4.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 2752 2 22 ILE MD 2 80 LYS HD3 5.260 . 5.260 3.946 3.627 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 1 2753 2 22 ILE MD 2 80 LYS QE 3.550 . 3.550 2.067 1.739 2.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 2754 2 22 ILE MD 2 80 LYS HG2 3.500 . 3.500 2.490 2.253 3.198 . 0 0 "[ . 1 . 2 . 3 ]" 1 2755 2 22 ILE MD 2 85 TYR HB2 4.490 . 4.490 4.351 4.084 4.695 0.205 31 0 "[ . 1 . 2 . 3 ]" 1 2756 2 22 ILE MD 2 85 TYR HB3 5.500 . 5.500 3.967 3.685 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 2757 2 22 ILE MD 2 85 TYR QE 4.570 . 4.570 4.064 3.727 4.635 0.065 31 0 "[ . 1 . 2 . 3 ]" 1 2758 2 23 MET H 2 23 MET HB2 4.060 . 4.060 3.611 3.460 3.683 . 0 0 "[ . 1 . 2 . 3 ]" 1 2759 2 23 MET H 2 23 MET HB3 3.900 . 3.900 3.677 3.524 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 2760 2 23 MET H 2 23 MET ME 4.230 . 4.230 3.575 3.403 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 2761 2 23 MET H 2 23 MET HG2 4.260 . 4.260 3.823 2.721 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 2762 2 23 MET H 2 23 MET HG3 4.260 . 4.260 2.558 1.934 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 2763 2 23 MET H 2 26 ALA MB 5.370 . 5.370 4.494 4.353 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 2764 2 23 MET H 2 72 LEU MD1 5.500 . 5.500 4.519 4.219 4.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 2765 2 23 MET H 2 76 VAL HA 5.500 . 5.500 5.579 5.509 5.624 0.124 16 0 "[ . 1 . 2 . 3 ]" 1 2766 2 23 MET H 2 76 VAL HB 5.500 . 5.500 5.394 5.258 5.505 0.005 20 0 "[ . 1 . 2 . 3 ]" 1 2767 2 23 MET HA 2 23 MET HG3 4.200 . 4.200 3.459 3.310 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 2768 2 23 MET HA 2 24 THR H 3.440 . 3.440 2.359 2.262 2.399 . 0 0 "[ . 1 . 2 . 3 ]" 1 2769 2 23 MET HA 2 24 THR HB 4.600 . 4.600 4.242 3.949 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 2770 2 23 MET HA 2 24 THR MG 4.370 . 4.370 4.007 3.665 4.476 0.106 10 0 "[ . 1 . 2 . 3 ]" 1 2771 2 23 MET HA 2 26 ALA MB 5.500 . 5.500 5.252 4.776 5.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 2772 2 23 MET HA 2 37 CYS HB3 5.500 . 5.500 4.946 4.388 5.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 2773 2 23 MET HB2 2 24 THR H 4.390 . 4.390 2.526 2.453 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1 2774 2 23 MET HB2 2 24 THR MG 4.740 . 4.740 4.344 4.050 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 2775 2 23 MET HB2 2 26 ALA H 5.440 . 5.440 4.323 3.983 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 2776 2 23 MET HB2 2 26 ALA HA 5.300 . 5.300 3.733 3.390 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 2777 2 23 MET HB2 2 26 ALA MB 3.970 . 3.970 3.241 2.397 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 2778 2 23 MET HB2 2 37 CYS H 5.500 . 5.500 4.051 3.726 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 2779 2 23 MET HB2 2 37 CYS HA 4.900 . 4.900 2.829 2.629 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 2780 2 23 MET HB3 2 23 MET ME 4.360 . 4.360 4.235 4.022 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 2781 2 23 MET HB3 2 24 THR H 4.440 . 4.440 3.230 3.049 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 2782 2 23 MET HB3 2 26 ALA HA 5.500 . 5.500 5.202 4.750 5.506 0.006 7 0 "[ . 1 . 2 . 3 ]" 1 2783 2 23 MET HB3 2 37 CYS HA 5.500 . 5.500 3.372 2.925 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 2784 2 23 MET ME 2 23 MET HG2 3.340 . 3.340 2.407 2.317 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 2785 2 23 MET ME 2 23 MET HG3 3.340 . 3.340 2.533 2.438 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1 2786 2 23 MET ME 2 26 ALA H 5.500 . 5.500 5.107 4.832 5.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 2787 2 23 MET ME 2 26 ALA MB 3.670 . 3.670 2.600 2.364 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 2788 2 23 MET ME 2 27 VAL H 5.500 . 5.500 4.788 4.482 5.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 2789 2 23 MET ME 2 35 SER HA 5.500 . 5.500 4.496 4.118 4.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 2790 2 23 MET ME 2 35 SER HB2 4.160 . 4.160 2.825 2.004 3.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 2791 2 23 MET ME 2 36 TYR H 5.500 . 5.500 3.853 3.631 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 2792 2 23 MET ME 2 36 TYR HA 3.960 . 3.960 2.314 2.061 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 2793 2 23 MET ME 2 36 TYR QD 5.500 . 5.500 4.487 4.334 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 2794 2 23 MET ME 2 37 CYS H 5.170 . 5.170 3.914 3.604 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2795 2 23 MET ME 2 69 ASN HD21 5.500 . 5.500 5.206 4.763 5.405 . 0 0 "[ . 1 . 2 . 3 ]" 1 2796 2 23 MET ME 2 72 LEU HA 5.230 . 5.230 5.198 4.943 5.274 0.044 30 0 "[ . 1 . 2 . 3 ]" 1 2797 2 23 MET ME 2 72 LEU MD1 3.770 . 3.770 1.867 1.797 2.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 2798 2 23 MET ME 2 72 LEU QD 2.660 . 2.660 1.828 1.748 1.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 2799 2 23 MET ME 2 72 LEU MD2 3.770 . 3.770 3.417 1.830 3.784 0.014 29 0 "[ . 1 . 2 . 3 ]" 1 2800 2 23 MET HG2 2 24 THR H 5.500 . 5.500 4.891 4.826 5.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 2801 2 23 MET HG2 2 26 ALA MB 4.630 . 4.630 3.481 2.776 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1 2802 2 23 MET HG2 2 36 TYR HA 4.980 . 4.980 2.834 2.317 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1 2803 2 23 MET HG2 2 37 CYS H 4.470 . 4.470 2.685 2.371 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 2804 2 23 MET HG2 2 37 CYS HA 4.990 . 4.990 3.374 3.004 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 2805 2 23 MET HG2 2 72 LEU QD 5.440 . 5.440 4.539 3.856 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 2806 2 23 MET HG3 2 24 THR H 5.140 . 5.140 4.910 4.540 4.961 . 0 0 "[ . 1 . 2 . 3 ]" 1 2807 2 23 MET HG3 2 26 ALA MB 4.780 . 4.780 4.194 3.122 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 2808 2 23 MET HG3 2 37 CYS H 5.500 . 5.500 4.071 3.865 5.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 2809 2 23 MET HG3 2 72 LEU QD 5.440 . 5.440 4.604 3.353 4.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 2810 2 24 THR H 2 24 THR HB 3.620 . 3.620 2.903 2.682 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 2811 2 24 THR H 2 24 THR MG 3.160 . 3.160 2.258 1.966 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 2812 2 24 THR H 2 37 CYS HB3 5.420 . 5.420 4.523 3.856 4.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 2813 2 24 THR HA 2 24 THR MG 3.300 . 3.300 3.214 3.147 3.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 2814 2 24 THR HA 2 25 ASP H 3.270 . 3.270 2.274 2.223 2.349 . 0 0 "[ . 1 . 2 . 3 ]" 1 2815 2 24 THR HA 2 26 ALA H 4.450 . 4.450 3.541 3.328 3.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 2816 2 24 THR HA 2 73 ARG HA 4.280 . 4.280 4.292 4.194 4.365 0.085 26 0 "[ . 1 . 2 . 3 ]" 1 2817 2 24 THR MG 2 25 ASP H 3.790 . 3.790 3.502 3.111 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 2818 2 24 THR MG 2 25 ASP HA 4.870 . 4.870 4.578 4.128 4.905 0.035 29 0 "[ . 1 . 2 . 3 ]" 1 2819 2 24 THR MG 2 25 ASP HB2 4.310 . 4.310 2.728 2.316 3.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 2820 2 24 THR MG 2 25 ASP HB3 4.770 . 4.770 4.227 3.476 4.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 2821 2 24 THR MG 2 37 CYS HB3 5.500 . 5.500 5.033 4.365 5.407 . 0 0 "[ . 1 . 2 . 3 ]" 1 2822 2 24 THR MG 2 38 ASP H 5.500 . 5.500 5.348 4.811 5.562 0.062 8 0 "[ . 1 . 2 . 3 ]" 1 2823 2 25 ASP H 2 25 ASP HB3 4.170 . 4.170 4.053 3.871 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 2824 2 25 ASP H 2 26 ALA H 4.080 . 4.080 2.700 2.581 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 2825 2 25 ASP H 2 26 ALA MB 5.190 . 5.190 4.315 4.206 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 2826 2 25 ASP HA 2 26 ALA H 3.530 . 3.530 2.766 2.680 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1 2827 2 25 ASP HA 2 73 ARG QB 4.530 . 4.530 3.273 2.445 3.817 . 0 0 "[ . 1 . 2 . 3 ]" 1 2828 2 25 ASP HA 2 73 ARG HD2 5.420 . 5.420 4.188 3.703 5.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 2829 2 25 ASP HA 2 73 ARG HD3 5.210 . 5.210 2.939 2.224 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 2830 2 25 ASP HA 2 73 ARG HE 4.790 . 4.790 3.443 3.165 3.746 . 0 0 "[ . 1 . 2 . 3 ]" 1 2831 2 25 ASP HA 2 73 ARG HG2 5.380 . 5.380 2.323 1.948 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 1 2832 2 25 ASP HA 2 73 ARG HG3 4.840 . 4.840 3.774 3.579 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 2833 2 25 ASP HB2 2 38 ASP H 5.500 . 5.500 5.095 4.259 5.559 0.059 28 0 "[ . 1 . 2 . 3 ]" 1 2834 2 25 ASP HB2 2 38 ASP QB 5.340 . 5.340 4.579 3.803 5.031 . 0 0 "[ . 1 . 2 . 3 ]" 1 2835 2 25 ASP HB3 2 26 ALA H 5.030 . 5.030 4.350 4.132 4.463 . 0 0 "[ . 1 . 2 . 3 ]" 1 2836 2 25 ASP HB3 2 26 ALA HA 5.500 . 5.500 4.986 4.621 5.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 2837 2 26 ALA H 2 26 ALA MB 3.000 . 3.000 2.208 2.060 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1 2838 2 26 ALA H 2 27 VAL H 4.690 . 4.690 4.588 4.550 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 2839 2 26 ALA H 2 37 CYS HA 5.370 . 5.370 5.103 4.800 5.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 2840 2 26 ALA H 2 73 ARG QB 4.280 . 4.280 3.930 2.458 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1 2841 2 26 ALA H 2 73 ARG HD2 5.500 . 5.500 5.147 4.904 5.513 0.013 8 0 "[ . 1 . 2 . 3 ]" 1 2842 2 26 ALA H 2 73 ARG HE 5.500 . 5.500 3.911 3.664 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 2843 2 26 ALA HA 2 27 VAL H 3.250 . 3.250 2.191 2.126 2.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 2844 2 26 ALA HA 2 37 CYS HA 4.010 . 4.010 3.030 2.771 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 2845 2 26 ALA HA 2 38 ASP H 4.230 . 4.230 3.621 2.812 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 2846 2 26 ALA HA 2 38 ASP QB 5.340 . 5.340 4.417 3.547 4.728 . 0 0 "[ . 1 . 2 . 3 ]" 1 2847 2 26 ALA MB 2 27 VAL H 3.350 . 3.350 2.754 2.304 2.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 2848 2 26 ALA MB 2 27 VAL HA 4.470 . 4.470 4.072 3.972 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1 2849 2 26 ALA MB 2 35 SER HA 5.120 . 5.120 4.274 4.112 4.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 2850 2 26 ALA MB 2 36 TYR H 4.500 . 4.500 3.613 3.247 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 2851 2 26 ALA MB 2 36 TYR HA 4.370 . 4.370 3.911 3.519 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 2852 2 26 ALA MB 2 37 CYS H 5.180 . 5.180 4.724 3.945 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 2853 2 26 ALA MB 2 37 CYS HA 3.990 . 3.990 3.894 2.822 4.085 0.095 25 0 "[ . 1 . 2 . 3 ]" 1 2854 2 26 ALA MB 2 38 ASP H 5.500 . 5.500 4.961 3.979 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 2855 2 26 ALA MB 2 69 ASN H 5.220 . 5.220 4.510 4.322 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 2856 2 26 ALA MB 2 69 ASN HB2 5.500 . 5.500 4.362 4.019 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 2857 2 26 ALA MB 2 69 ASN HB3 4.590 . 4.590 3.313 2.923 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 2858 2 26 ALA MB 2 69 ASN HD21 5.260 . 5.260 4.243 3.994 4.966 . 0 0 "[ . 1 . 2 . 3 ]" 1 2859 2 26 ALA MB 2 72 LEU HA 5.370 . 5.370 4.553 4.342 5.456 0.086 5 0 "[ . 1 . 2 . 3 ]" 1 2860 2 26 ALA MB 2 72 LEU MD1 3.830 . 3.830 2.110 1.666 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 2861 2 26 ALA MB 2 72 LEU QD 3.130 . 3.130 2.100 1.664 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 2862 2 26 ALA MB 2 72 LEU MD2 3.830 . 3.830 3.876 3.690 3.959 0.129 9 0 "[ . 1 . 2 . 3 ]" 1 2863 2 26 ALA MB 2 73 ARG HA 5.110 . 5.110 3.604 3.072 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 2864 2 26 ALA MB 2 73 ARG QB 4.490 . 4.490 4.383 2.880 4.709 0.219 15 0 "[ . 1 . 2 . 3 ]" 1 2865 2 26 ALA MB 2 73 ARG HE 5.500 . 5.500 3.986 3.708 4.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 2866 2 27 VAL H 2 35 SER HA 5.040 . 5.040 4.403 4.255 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1 2867 2 27 VAL H 2 36 TYR H 4.230 . 4.230 3.120 2.993 3.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 2868 2 27 VAL H 2 37 CYS HA 4.600 . 4.600 4.019 3.922 4.173 . 0 0 "[ . 1 . 2 . 3 ]" 1 2869 2 27 VAL H 2 38 ASP HA 5.500 . 5.500 4.213 3.886 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1 2870 2 27 VAL H 2 66 LEU QD 5.440 . 5.440 4.817 4.650 5.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 2871 2 27 VAL HA 2 28 VAL H 3.500 . 3.500 2.439 2.406 2.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 2872 2 27 VAL HA 2 67 ILE H 5.320 . 5.320 4.894 4.578 5.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 2873 2 27 VAL HA 2 68 ALA H 5.500 . 5.500 5.165 5.003 5.391 . 0 0 "[ . 1 . 2 . 3 ]" 1 2874 2 27 VAL HA 2 68 ALA HA 3.860 . 3.860 2.852 2.683 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1 2875 2 27 VAL HA 2 68 ALA MB 5.190 . 5.190 4.404 4.252 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 2876 2 27 VAL HA 2 69 ASN H 3.660 . 3.660 2.314 2.190 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 2877 2 27 VAL HA 2 69 ASN HA 5.500 . 5.500 5.010 4.855 5.338 . 0 0 "[ . 1 . 2 . 3 ]" 1 2878 2 27 VAL HA 2 69 ASN HB2 4.850 . 4.850 3.573 3.349 4.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 2879 2 27 VAL HA 2 69 ASN HB3 4.850 . 4.850 3.903 3.698 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 2880 2 27 VAL HB 2 28 VAL H 3.730 . 3.730 2.323 2.136 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 2881 2 27 VAL HB 2 66 LEU HA 4.840 . 4.840 3.858 3.630 4.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 2882 2 27 VAL HB 2 66 LEU QD 4.650 . 4.650 3.163 2.973 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 2883 2 27 VAL HB 2 67 ILE H 4.410 . 4.410 3.474 3.168 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 2884 2 27 VAL HB 2 68 ALA H 5.500 . 5.500 5.497 5.410 5.544 0.044 30 0 "[ . 1 . 2 . 3 ]" 1 2885 2 27 VAL HB 2 68 ALA HA 4.880 . 4.880 4.109 3.947 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 2886 2 27 VAL HB 2 69 ASN H 5.080 . 5.080 4.466 4.307 4.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 2887 2 28 VAL H 2 28 VAL HB 3.820 . 3.820 3.413 3.360 3.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 2888 2 28 VAL H 2 35 SER HA 5.500 . 5.500 4.858 4.804 4.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 2889 2 28 VAL H 2 66 LEU QD 5.440 . 5.440 4.119 3.940 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 2890 2 28 VAL H 2 67 ILE H 4.300 . 4.300 2.856 2.617 3.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 2891 2 28 VAL H 2 67 ILE HB 4.370 . 4.370 3.646 3.521 3.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 2892 2 28 VAL H 2 67 ILE MD 4.590 . 4.590 3.455 3.338 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 2893 2 28 VAL H 2 68 ALA H 5.120 . 5.120 4.760 4.680 4.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 2894 2 28 VAL H 2 68 ALA HA 4.490 . 4.490 3.872 3.719 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 2895 2 28 VAL H 2 68 ALA MB 5.410 . 5.410 5.160 5.053 5.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 2896 2 28 VAL H 2 69 ASN H 4.700 . 4.700 3.426 3.289 3.546 . 0 0 "[ . 1 . 2 . 3 ]" 1 2897 2 28 VAL H 2 69 ASN HB2 4.590 . 4.590 3.611 3.463 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 2898 2 28 VAL HA 2 29 ILE H 3.320 . 3.320 2.238 2.206 2.283 . 0 0 "[ . 1 . 2 . 3 ]" 1 2899 2 28 VAL HA 2 35 SER HA 3.720 . 3.720 2.466 2.320 2.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 2900 2 28 VAL HA 2 36 TYR H 4.200 . 4.200 3.956 3.790 4.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 2901 2 28 VAL HA 2 36 TYR QE 5.150 . 5.150 5.141 4.723 5.218 0.068 20 0 "[ . 1 . 2 . 3 ]" 1 2902 2 28 VAL HA 2 67 ILE MD 4.830 . 4.830 4.156 4.100 4.220 . 0 0 "[ . 1 . 2 . 3 ]" 1 2903 2 28 VAL HB 2 29 ILE H 4.340 . 4.340 2.964 2.879 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1 2904 2 28 VAL HB 2 30 PRO HA 5.500 . 5.500 4.743 4.673 4.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 2905 2 28 VAL HB 2 35 SER HA 5.470 . 5.470 5.139 4.974 5.261 . 0 0 "[ . 1 . 2 . 3 ]" 1 2906 2 28 VAL HB 2 67 ILE H 3.990 . 3.990 4.020 3.906 4.055 0.065 29 0 "[ . 1 . 2 . 3 ]" 1 2907 2 28 VAL HB 2 67 ILE HB 3.980 . 3.980 3.704 3.485 3.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 2908 2 28 VAL HB 2 67 ILE MD 2.830 . 2.830 2.287 2.170 2.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 2909 2 28 VAL HB 2 69 ASN HA 5.500 . 5.500 5.519 5.419 5.612 0.112 20 0 "[ . 1 . 2 . 3 ]" 1 2910 2 28 VAL HB 2 69 ASN HD21 5.500 . 5.500 5.180 5.024 5.339 . 0 0 "[ . 1 . 2 . 3 ]" 1 2911 2 29 ILE H 2 29 ILE HB 3.850 . 3.850 2.778 2.704 2.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 2912 2 29 ILE H 2 29 ILE MD 4.710 . 4.710 4.530 4.449 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 2913 2 29 ILE H 2 31 CYS H 5.380 . 5.380 4.849 4.795 4.919 . 0 0 "[ . 1 . 2 . 3 ]" 1 2914 2 29 ILE H 2 33 GLY H 4.930 . 4.930 3.837 3.779 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 2915 2 29 ILE H 2 34 ASN H 5.090 . 5.090 3.832 3.550 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 2916 2 29 ILE H 2 35 SER HA 4.230 . 4.230 3.689 3.586 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 2917 2 29 ILE H 2 36 TYR H 5.500 . 5.500 5.225 5.121 5.356 . 0 0 "[ . 1 . 2 . 3 ]" 1 2918 2 29 ILE H 2 36 TYR QE 4.330 . 4.330 4.243 3.769 4.349 0.019 23 0 "[ . 1 . 2 . 3 ]" 1 2919 2 29 ILE H 2 66 LEU QD 4.890 . 4.890 4.355 4.155 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 2920 2 29 ILE H 2 67 ILE MD 3.880 . 3.880 3.946 3.915 3.974 0.094 15 0 "[ . 1 . 2 . 3 ]" 1 2921 2 29 ILE HA 2 29 ILE MD 3.910 . 3.910 3.595 3.534 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 2922 2 29 ILE HA 2 30 PRO HA 4.750 . 4.750 4.435 4.420 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 2923 2 29 ILE HA 2 30 PRO HD3 3.770 . 3.770 2.234 2.198 2.280 . 0 0 "[ . 1 . 2 . 3 ]" 1 2924 2 29 ILE HA 2 30 PRO HG2 4.540 . 4.540 4.291 4.246 4.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 2925 2 29 ILE HA 2 30 PRO HG3 4.540 . 4.540 4.317 4.298 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 2926 2 29 ILE HA 2 31 CYS H 4.300 . 4.300 3.733 3.705 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 2927 2 29 ILE HA 2 36 TYR QE 5.460 . 5.460 5.150 4.555 5.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 2928 2 29 ILE HA 2 66 LEU HA 3.750 . 3.750 3.328 3.157 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 2929 2 29 ILE HA 2 66 LEU QD 3.270 . 3.270 2.684 2.422 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1 2930 2 29 ILE HA 2 67 ILE H 5.280 . 5.280 4.018 3.898 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 2931 2 29 ILE HA 2 67 ILE MD 4.560 . 4.560 3.386 3.260 3.481 . 0 0 "[ . 1 . 2 . 3 ]" 1 2932 2 29 ILE HB 2 29 ILE MD 3.580 . 3.580 2.311 2.220 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 1 2933 2 29 ILE HB 2 30 PRO HD2 4.880 . 4.880 4.120 4.070 4.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 2934 2 29 ILE HB 2 30 PRO HD3 5.050 . 5.050 4.752 4.705 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 2935 2 29 ILE HB 2 31 CYS H 5.090 . 5.090 4.512 4.472 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 2936 2 29 ILE HB 2 34 ASN H 5.500 . 5.500 4.845 4.545 5.125 . 0 0 "[ . 1 . 2 . 3 ]" 1 2937 2 29 ILE HB 2 35 SER HA 5.310 . 5.310 4.805 4.641 4.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 2938 2 29 ILE HB 2 36 TYR H 5.500 . 5.500 5.388 5.294 5.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 2939 2 29 ILE HB 2 36 TYR QE 3.010 . 3.010 2.667 2.090 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 2940 2 29 ILE HB 2 41 ILE MD 5.050 . 5.050 3.254 3.103 3.491 . 0 0 "[ . 1 . 2 . 3 ]" 1 2941 2 29 ILE HB 2 66 LEU QD 4.210 . 4.210 3.172 3.039 3.260 . 0 0 "[ . 1 . 2 . 3 ]" 1 2942 2 29 ILE MD 2 30 PRO HD2 4.230 . 4.230 3.864 3.776 3.936 . 0 0 "[ . 1 . 2 . 3 ]" 1 2943 2 29 ILE MD 2 30 PRO HD3 5.430 . 5.430 5.040 4.960 5.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 2944 2 29 ILE MD 2 30 PRO HG2 5.490 . 5.490 5.225 5.138 5.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 2945 2 29 ILE MD 2 31 CYS H 4.230 . 4.230 3.916 3.833 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 2946 2 29 ILE MD 2 31 CYS HB3 4.330 . 4.330 3.676 3.427 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 2947 2 29 ILE MD 2 32 CYS H 5.280 . 5.280 4.550 4.422 4.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 2948 2 29 ILE MD 2 33 GLY H 5.240 . 5.240 4.967 4.860 5.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 2949 2 29 ILE MD 2 34 ASN H 5.500 . 5.500 5.172 4.896 5.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 2950 2 29 ILE MD 2 34 ASN HB2 5.080 . 5.080 4.777 4.462 5.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 2951 2 29 ILE MD 2 36 TYR QD 4.640 . 4.640 4.174 3.982 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1 2952 2 29 ILE MD 2 36 TYR QE 3.450 . 3.450 2.832 2.519 3.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 2953 2 29 ILE MD 2 36 TYR HH 5.500 . 5.500 4.866 2.811 5.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 2954 2 29 ILE MD 2 41 ILE HA 5.220 . 5.220 4.738 4.678 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 2955 2 29 ILE MD 2 41 ILE MD 2.950 . 2.950 1.801 1.764 1.864 . 0 0 "[ . 1 . 2 . 3 ]" 1 2956 2 29 ILE MD 2 45 LEU H 5.500 . 5.500 5.380 5.248 5.507 0.007 30 0 "[ . 1 . 2 . 3 ]" 1 2957 2 29 ILE MD 2 45 LEU MD1 3.190 . 3.190 2.456 2.314 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 2958 2 29 ILE MD 2 45 LEU MD2 3.190 . 3.190 2.464 2.311 2.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 2959 2 29 ILE MD 2 53 CYS H 5.500 . 5.500 4.941 4.748 5.152 . 0 0 "[ . 1 . 2 . 3 ]" 1 2960 2 29 ILE MD 2 53 CYS HA 3.770 . 3.770 3.324 3.114 3.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 2961 2 29 ILE MD 2 53 CYS HB2 4.270 . 4.270 3.137 2.868 3.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 2962 2 29 ILE MD 2 53 CYS HB3 4.880 . 4.880 4.312 4.098 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 2963 2 29 ILE MD 2 54 PRO HD2 4.230 . 4.230 2.860 2.722 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 2964 2 29 ILE MD 2 54 PRO HD3 4.500 . 4.500 3.660 3.425 3.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 2965 2 29 ILE MD 2 55 THR H 5.500 . 5.500 5.365 5.056 5.525 0.025 26 0 "[ . 1 . 2 . 3 ]" 1 2966 2 29 ILE MD 2 56 CYS H 5.500 . 5.500 5.205 5.006 5.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 2967 2 29 ILE MD 2 58 GLN HB2 5.500 . 5.500 4.621 4.259 4.870 . 0 0 "[ . 1 . 2 . 3 ]" 1 2968 2 29 ILE MD 2 61 VAL H 5.500 . 5.500 5.366 5.174 5.552 0.052 21 0 "[ . 1 . 2 . 3 ]" 1 2969 2 29 ILE MD 2 61 VAL HB 4.010 . 4.010 3.056 2.870 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 2970 2 29 ILE MD 2 62 SER H 5.500 . 5.500 4.055 3.855 4.319 . 0 0 "[ . 1 . 2 . 3 ]" 1 2971 2 29 ILE MD 2 66 LEU HA 5.480 . 5.480 5.367 5.119 5.517 0.037 21 0 "[ . 1 . 2 . 3 ]" 1 2972 2 29 ILE MD 2 66 LEU QD 3.240 . 3.240 2.884 2.651 3.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 2973 2 30 PRO HA 2 32 CYS H 5.090 . 5.090 4.066 3.957 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1 2974 2 30 PRO HA 2 33 GLY H 4.640 . 4.640 4.663 4.557 4.709 0.069 17 0 "[ . 1 . 2 . 3 ]" 1 2975 2 30 PRO HA 2 65 ALA MB 5.500 . 5.500 5.535 5.442 5.594 0.094 1 0 "[ . 1 . 2 . 3 ]" 1 2976 2 30 PRO HA 2 67 ILE MD 3.580 . 3.580 3.053 2.840 3.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 2977 2 30 PRO HB2 2 31 CYS H 4.420 . 4.420 4.056 4.009 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 2978 2 30 PRO HB2 2 67 ILE MD 4.580 . 4.580 3.846 3.659 4.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 2979 2 30 PRO HB3 2 31 CYS H 4.580 . 4.580 4.563 4.551 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 2980 2 30 PRO HB3 2 67 ILE MD 3.340 . 3.340 2.257 2.050 2.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 2981 2 30 PRO HD2 2 31 CYS H 4.240 . 4.240 3.164 3.108 3.213 . 0 0 "[ . 1 . 2 . 3 ]" 1 2982 2 30 PRO HD2 2 65 ALA MB 4.220 . 4.220 3.223 3.030 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1 2983 2 30 PRO HD2 2 66 LEU QD 3.870 . 3.870 3.212 2.924 3.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 2984 2 30 PRO HD2 2 67 ILE MD 4.890 . 4.890 3.763 3.599 3.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 2985 2 30 PRO HD3 2 31 CYS H 4.140 . 4.140 4.158 4.136 4.183 0.043 19 0 "[ . 1 . 2 . 3 ]" 1 2986 2 30 PRO HD3 2 65 ALA HA 5.500 . 5.500 5.113 4.941 5.329 . 0 0 "[ . 1 . 2 . 3 ]" 1 2987 2 30 PRO HD3 2 65 ALA MB 4.200 . 4.200 3.471 3.315 3.680 . 0 0 "[ . 1 . 2 . 3 ]" 1 2988 2 30 PRO HD3 2 66 LEU H 5.010 . 5.010 4.925 4.694 5.031 0.021 9 0 "[ . 1 . 2 . 3 ]" 1 2989 2 30 PRO HD3 2 66 LEU HA 5.100 . 5.100 2.993 2.671 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 2990 2 30 PRO HD3 2 66 LEU QD 4.630 . 4.630 3.438 3.192 3.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 2991 2 30 PRO HD3 2 67 ILE H 4.900 . 4.900 3.399 3.184 3.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 2992 2 30 PRO HD3 2 67 ILE MD 3.500 . 3.500 2.325 2.129 2.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 2993 2 30 PRO HG2 2 31 CYS H 3.730 . 3.730 3.525 3.487 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1 2994 2 30 PRO HG2 2 61 VAL HA 4.520 . 4.520 4.336 3.972 4.544 0.024 18 0 "[ . 1 . 2 . 3 ]" 1 2995 2 30 PRO HG2 2 62 SER H 5.500 . 5.500 4.652 4.369 4.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2996 2 30 PRO HG2 2 65 ALA MB 3.490 . 3.490 2.728 2.595 2.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 2997 2 30 PRO HG3 2 31 CYS H 4.740 . 4.740 4.763 4.736 4.794 0.054 6 0 "[ . 1 . 2 . 3 ]" 1 2998 2 30 PRO HG3 2 65 ALA HA 4.970 . 4.970 4.033 3.867 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 2999 2 30 PRO HG3 2 65 ALA MB 3.490 . 3.490 2.075 2.019 2.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 3000 2 30 PRO HG3 2 67 ILE H 5.500 . 5.500 5.011 4.710 5.239 . 0 0 "[ . 1 . 2 . 3 ]" 1 3001 2 30 PRO HG3 2 67 ILE MD 4.280 . 4.280 3.171 2.960 3.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 3002 2 31 CYS H 2 31 CYS HB2 3.710 . 3.710 3.643 3.623 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1 3003 2 31 CYS H 2 31 CYS HB3 3.710 . 3.710 2.658 2.582 2.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 3004 2 31 CYS H 2 32 CYS H 3.590 . 3.590 2.228 2.154 2.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 3005 2 31 CYS H 2 32 CYS HA 5.420 . 5.420 4.903 4.851 4.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 3006 2 31 CYS H 2 33 GLY H 4.270 . 4.270 3.731 3.615 3.865 . 0 0 "[ . 1 . 2 . 3 ]" 1 3007 2 31 CYS H 2 58 GLN HG3 5.290 . 5.290 5.332 5.221 5.380 0.090 31 0 "[ . 1 . 2 . 3 ]" 1 3008 2 31 CYS H 2 66 LEU QD 5.440 . 5.440 5.374 5.172 5.455 0.015 31 0 "[ . 1 . 2 . 3 ]" 1 3009 2 31 CYS H 2 67 ILE MD 4.980 . 4.980 4.939 4.772 5.046 0.066 26 0 "[ . 1 . 2 . 3 ]" 1 3010 2 31 CYS HA 2 32 CYS HA 4.700 . 4.700 4.501 4.490 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 3011 2 31 CYS HA 2 58 GLN HB3 5.500 . 5.500 5.235 4.929 5.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 3012 2 31 CYS HA 2 58 GLN HE21 4.740 . 4.740 4.405 3.876 4.754 0.014 18 0 "[ . 1 . 2 . 3 ]" 1 3013 2 31 CYS HA 2 58 GLN HE22 5.500 . 5.500 5.173 4.690 5.528 0.028 23 0 "[ . 1 . 2 . 3 ]" 1 3014 2 31 CYS HA 2 58 GLN HG3 4.040 . 4.040 3.658 3.464 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 3015 2 31 CYS HB2 2 32 CYS H 4.400 . 4.400 3.984 3.864 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 3016 2 31 CYS HB2 2 58 GLN H 5.310 . 5.310 4.913 4.590 5.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 3017 2 31 CYS HB2 2 58 GLN HB2 4.080 . 4.080 2.887 2.537 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 3018 2 31 CYS HB2 2 58 GLN HB3 4.050 . 4.050 3.002 2.769 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1 3019 2 31 CYS HB2 2 58 GLN HE21 4.030 . 4.030 2.847 2.220 3.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 3020 2 31 CYS HB2 2 58 GLN HE22 5.440 . 5.440 4.174 3.778 4.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 3021 2 31 CYS HB2 2 58 GLN HG3 3.660 . 3.660 1.845 1.760 1.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 3022 2 31 CYS HB2 2 60 ASP H 5.280 . 5.280 4.810 4.553 5.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 3023 2 31 CYS HB2 2 61 VAL H 5.430 . 5.430 5.494 5.429 5.550 0.120 21 0 "[ . 1 . 2 . 3 ]" 1 3024 2 31 CYS HB2 2 61 VAL HB 5.500 . 5.500 5.359 5.185 5.521 0.021 31 0 "[ . 1 . 2 . 3 ]" 1 3025 2 31 CYS HB3 2 32 CYS H 4.380 . 4.380 3.950 3.876 4.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 3026 2 31 CYS HB3 2 53 CYS HB2 4.650 . 4.650 4.438 4.247 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 3027 2 31 CYS HB3 2 58 GLN HB2 4.330 . 4.330 4.022 3.731 4.342 0.012 3 0 "[ . 1 . 2 . 3 ]" 1 3028 2 31 CYS HB3 2 58 GLN HB3 4.650 . 4.650 3.868 3.622 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 3029 2 31 CYS HB3 2 58 GLN HE21 4.410 . 4.410 3.553 3.114 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 3030 2 31 CYS HB3 2 58 GLN HG3 3.810 . 3.810 3.548 3.303 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 3031 2 31 CYS HB3 2 61 VAL HB 4.990 . 4.990 4.236 4.103 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 3032 2 32 CYS H 2 32 CYS HB3 4.130 . 4.130 3.353 3.304 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1 3033 2 32 CYS H 2 33 GLY H 3.410 . 3.410 2.020 1.937 2.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 3034 2 32 CYS H 2 33 GLY HA2 4.270 . 4.270 3.944 3.876 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 3035 2 32 CYS H 2 33 GLY HA3 4.810 . 4.810 4.483 4.430 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 3036 2 32 CYS H 2 34 ASN H 4.490 . 4.490 3.800 3.640 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 3037 2 32 CYS HA 2 56 CYS HB2 5.500 . 5.500 5.268 5.134 5.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 3038 2 32 CYS HA 2 56 CYS HB3 5.390 . 5.390 4.829 4.708 4.928 . 0 0 "[ . 1 . 2 . 3 ]" 1 3039 2 32 CYS HB2 2 33 GLY H 4.560 . 4.560 3.485 3.383 3.591 . 0 0 "[ . 1 . 2 . 3 ]" 1 3040 2 32 CYS HB2 2 34 ASN H 5.190 . 5.190 3.705 3.551 3.923 . 0 0 "[ . 1 . 2 . 3 ]" 1 3041 2 32 CYS HB2 2 34 ASN HD21 4.800 . 4.800 2.746 2.604 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 3042 2 32 CYS HB2 2 34 ASN HD22 4.800 . 4.800 3.320 3.055 3.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 3043 2 32 CYS HB2 2 56 CYS HA 5.500 . 5.500 5.559 5.505 5.632 0.132 24 0 "[ . 1 . 2 . 3 ]" 1 3044 2 32 CYS HB2 2 56 CYS HB2 4.310 . 4.310 4.355 4.274 4.403 0.093 4 0 "[ . 1 . 2 . 3 ]" 1 3045 2 32 CYS HB2 2 56 CYS HB3 4.050 . 4.050 3.186 3.154 3.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 3046 2 32 CYS HB3 2 33 GLY H 4.560 . 4.560 3.898 3.855 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 3047 2 32 CYS HB3 2 34 ASN H 5.190 . 5.190 4.587 4.452 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1 3048 2 32 CYS HB3 2 56 CYS HA 5.420 . 5.420 5.023 4.916 5.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 3049 2 32 CYS HB3 2 56 CYS HB2 4.050 . 4.050 3.340 3.205 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1 3050 2 32 CYS HB3 2 56 CYS HB3 4.110 . 4.110 2.623 2.461 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 3051 2 33 GLY H 2 34 ASN H 3.750 . 3.750 1.952 1.844 2.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 3052 2 33 GLY H 2 34 ASN HB2 4.910 . 4.910 3.991 3.819 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 3053 2 34 ASN H 2 34 ASN HB2 3.730 . 3.730 2.331 2.189 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 3054 2 34 ASN H 2 34 ASN HB3 3.730 . 3.730 3.575 3.493 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 3055 2 34 ASN H 2 34 ASN HD21 4.580 . 4.580 2.507 2.340 2.703 . 0 0 "[ . 1 . 2 . 3 ]" 1 3056 2 34 ASN H 2 34 ASN HD22 4.580 . 4.580 3.865 3.569 4.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 3057 2 34 ASN H 2 36 TYR QE 5.150 . 5.150 4.543 4.428 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 3058 2 34 ASN H 2 55 THR MG 5.070 . 5.070 3.678 3.566 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 3059 2 34 ASN HA 2 55 THR MG 5.330 . 5.330 4.738 4.591 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1 3060 2 34 ASN HB2 2 35 SER HA 5.500 . 5.500 4.996 4.921 5.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 3061 2 34 ASN HB2 2 36 TYR QE 4.120 . 4.120 3.195 3.108 3.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 3062 2 34 ASN HB2 2 55 THR MG 4.040 . 4.040 2.292 2.226 2.399 . 0 0 "[ . 1 . 2 . 3 ]" 1 3063 2 34 ASN HB3 2 36 TYR QE 4.120 . 4.120 3.046 2.886 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1 3064 2 34 ASN HB3 2 55 THR MG 4.220 . 4.220 3.332 2.965 3.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 3065 2 34 ASN HD21 2 36 TYR QE 5.210 . 5.210 4.759 4.647 4.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 3066 2 34 ASN HD21 2 55 THR MG 3.550 . 3.550 2.038 1.928 2.328 . 0 0 "[ . 1 . 2 . 3 ]" 1 3067 2 34 ASN HD22 2 36 TYR QE 5.500 . 5.500 5.503 5.323 5.592 0.092 25 0 "[ . 1 . 2 . 3 ]" 1 3068 2 34 ASN HD22 2 55 THR MG 3.690 . 3.690 2.803 2.597 2.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 3069 2 35 SER HA 2 36 TYR H 3.440 . 3.440 2.169 2.148 2.196 . 0 0 "[ . 1 . 2 . 3 ]" 1 3070 2 35 SER HA 2 36 TYR QD 4.410 . 4.410 3.643 3.551 3.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 3071 2 35 SER HA 2 36 TYR QE 4.850 . 4.850 4.293 4.135 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 3072 2 35 SER HA 2 41 ILE HB 5.500 . 5.500 5.560 5.513 5.589 0.089 1 0 "[ . 1 . 2 . 3 ]" 1 3073 2 35 SER HA 2 72 LEU HG 5.500 . 5.500 4.676 4.525 5.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 3074 2 35 SER HB2 2 36 TYR H 4.590 . 4.590 3.860 3.752 3.946 . 0 0 "[ . 1 . 2 . 3 ]" 1 3075 2 35 SER HB2 2 72 LEU MD1 5.360 . 5.360 3.087 2.846 3.560 . 0 0 "[ . 1 . 2 . 3 ]" 1 3076 2 35 SER HB2 2 72 LEU MD2 5.360 . 5.360 2.937 2.686 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 3077 2 35 SER HB3 2 36 TYR H 4.590 . 4.590 3.107 2.993 3.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 3078 2 35 SER HB3 2 72 LEU MD1 5.360 . 5.360 3.648 2.798 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 3079 2 35 SER HB3 2 72 LEU MD2 5.360 . 5.360 3.783 3.584 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 3080 2 36 TYR H 2 36 TYR QD 4.100 . 4.100 2.755 2.620 2.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 3081 2 36 TYR H 2 36 TYR QE 4.460 . 4.460 4.490 4.355 4.540 0.080 10 0 "[ . 1 . 2 . 3 ]" 1 3082 2 36 TYR H 2 37 CYS H 4.550 . 4.550 4.383 4.363 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 3083 2 36 TYR H 2 37 CYS HA 5.150 . 5.150 5.039 4.977 5.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 3084 2 36 TYR H 2 41 ILE HB 5.070 . 5.070 4.079 4.031 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 3085 2 36 TYR H 2 72 LEU QD 5.440 . 5.440 5.062 4.510 5.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 3086 2 36 TYR HA 2 36 TYR QD 4.070 . 4.070 3.313 3.196 3.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 3087 2 36 TYR HA 2 37 CYS H 3.400 . 3.400 2.510 2.471 2.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 3088 2 36 TYR HA 2 41 ILE HB 5.200 . 5.200 5.059 4.910 5.170 . 0 0 "[ . 1 . 2 . 3 ]" 1 3089 2 36 TYR HB2 2 37 CYS H 4.030 . 4.030 2.784 2.718 2.903 . 0 0 "[ . 1 . 2 . 3 ]" 1 3090 2 36 TYR HB2 2 41 ILE H 5.090 . 5.090 3.067 2.957 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 3091 2 36 TYR HB2 2 41 ILE HB 4.770 . 4.770 2.310 2.032 2.544 . 0 0 "[ . 1 . 2 . 3 ]" 1 3092 2 36 TYR HB2 2 41 ILE MD 4.400 . 4.400 3.735 3.592 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 3093 2 36 TYR HB3 2 37 CYS H 4.030 . 4.030 2.489 2.342 2.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 3094 2 36 TYR HB3 2 41 ILE H 5.320 . 5.320 4.379 4.035 4.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 3095 2 36 TYR HB3 2 41 ILE HB 4.770 . 4.770 3.959 3.610 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1 3096 2 36 TYR HB3 2 41 ILE MD 5.170 . 5.170 4.668 4.468 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 3097 2 36 TYR QD 2 37 CYS H 4.780 . 4.780 4.333 4.221 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 3098 2 36 TYR QD 2 40 CYS QB 4.950 . 4.950 4.456 4.287 4.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 3099 2 36 TYR QD 2 41 ILE HA 5.240 . 5.240 4.086 3.995 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 3100 2 36 TYR QD 2 41 ILE HB 3.740 . 3.740 2.149 2.051 2.275 . 0 0 "[ . 1 . 2 . 3 ]" 1 3101 2 36 TYR QD 2 41 ILE MD 4.170 . 4.170 2.609 2.508 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 3102 2 36 TYR QD 2 45 LEU QD 5.440 . 5.440 5.472 5.087 5.521 0.081 9 0 "[ . 1 . 2 . 3 ]" 1 3103 2 36 TYR QE 2 41 ILE HB 4.780 . 4.780 4.010 3.863 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1 3104 2 36 TYR QE 2 41 ILE MD 3.960 . 3.960 2.485 2.346 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 3105 2 36 TYR QE 2 44 ALA MB 5.500 . 5.500 5.432 5.323 5.511 0.011 24 0 "[ . 1 . 2 . 3 ]" 1 3106 2 36 TYR QE 2 54 PRO HG2 5.340 . 5.340 3.383 3.043 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 3107 2 36 TYR QE 2 54 PRO HG3 5.500 . 5.500 4.425 4.268 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 3108 2 36 TYR QE 2 55 THR H 5.500 . 5.500 5.403 4.934 5.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 3109 2 36 TYR QE 2 55 THR HA 5.500 . 5.500 4.812 4.665 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 3110 2 36 TYR QE 2 55 THR HB 5.290 . 5.290 2.826 2.575 2.943 . 0 0 "[ . 1 . 2 . 3 ]" 1 3111 2 36 TYR QE 2 55 THR MG 4.080 . 4.080 3.398 2.728 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 3112 2 36 TYR QE 2 56 CYS H 5.500 . 5.500 5.687 5.373 5.737 0.237 20 0 "[ . 1 . 2 . 3 ]" 1 3113 2 36 TYR QE 2 66 LEU QD 4.610 . 4.610 4.557 4.164 4.638 0.028 23 0 "[ . 1 . 2 . 3 ]" 1 3114 2 36 TYR HH 2 54 PRO HD2 5.260 . 5.260 4.454 2.584 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 3115 2 36 TYR HH 2 54 PRO HG2 5.020 . 5.020 3.727 2.967 3.810 . 0 0 "[ . 1 . 2 . 3 ]" 1 3116 2 36 TYR HH 2 54 PRO HG3 5.500 . 5.500 5.451 4.297 5.528 0.028 30 0 "[ . 1 . 2 . 3 ]" 1 3117 2 36 TYR HH 2 55 THR H 5.140 . 5.140 4.600 4.025 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 3118 2 36 TYR HH 2 55 THR HB 4.500 . 4.500 1.760 1.623 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 3119 2 36 TYR HH 2 55 THR MG 3.060 . 3.060 1.900 1.833 2.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 3120 2 36 TYR HH 2 56 CYS H 4.510 . 4.510 4.535 4.099 4.574 0.064 4 0 "[ . 1 . 2 . 3 ]" 1 3121 2 37 CYS H 2 37 CYS HB2 4.200 . 4.200 2.818 2.766 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 3122 2 37 CYS H 2 37 CYS HB3 4.020 . 4.020 3.529 3.456 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 3123 2 37 CYS H 2 40 CYS H 4.910 . 4.910 4.376 4.291 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 3124 2 37 CYS H 2 40 CYS HB2 4.380 . 4.380 2.842 2.731 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 3125 2 37 CYS H 2 40 CYS QB 4.110 . 4.110 2.793 2.686 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 3126 2 37 CYS H 2 41 ILE H 4.530 . 4.530 4.205 4.111 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 3127 2 37 CYS H 2 41 ILE HB 5.500 . 5.500 4.800 4.711 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 3128 2 37 CYS HA 2 38 ASP H 3.280 . 3.280 2.245 2.216 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 3129 2 37 CYS HA 2 40 CYS H 4.910 . 4.910 4.387 4.344 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1 3130 2 37 CYS HB2 2 38 ASP H 4.470 . 4.470 3.765 3.679 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 3131 2 37 CYS HB2 2 39 GLU H 3.990 . 3.990 3.350 3.198 3.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 3132 2 37 CYS HB2 2 39 GLU HG2 5.500 . 5.500 3.067 2.631 3.460 . 0 0 "[ . 1 . 2 . 3 ]" 1 3133 2 37 CYS HB2 2 40 CYS H 3.560 . 3.560 1.968 1.900 2.052 . 0 0 "[ . 1 . 2 . 3 ]" 1 3134 2 37 CYS HB2 2 40 CYS HA 4.220 . 4.220 4.037 3.979 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1 3135 2 37 CYS HB2 2 40 CYS HB2 4.010 . 4.010 2.055 1.972 2.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 3136 2 37 CYS HB2 2 40 CYS QB 4.260 . 4.260 2.044 1.964 2.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 3137 2 37 CYS HB2 2 41 ILE H 4.600 . 4.600 3.607 3.556 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 3138 2 37 CYS HB2 2 42 ARG H 5.500 . 5.500 5.561 5.532 5.600 0.100 8 0 "[ . 1 . 2 . 3 ]" 1 3139 2 37 CYS HB3 2 38 ASP H 4.090 . 4.090 3.074 2.969 3.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 3140 2 37 CYS HB3 2 39 GLU H 3.990 . 3.990 3.208 3.035 3.422 . 0 0 "[ . 1 . 2 . 3 ]" 1 3141 2 37 CYS HB3 2 39 GLU HG2 4.850 . 4.850 2.675 2.366 2.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 3142 2 37 CYS HB3 2 40 CYS H 3.560 . 3.560 3.178 3.085 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 3143 2 37 CYS HB3 2 40 CYS QB 4.280 . 4.280 3.711 3.615 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1 3144 2 37 CYS HB3 2 41 ILE H 5.370 . 5.370 5.045 4.954 5.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 3145 2 38 ASP H 2 38 ASP HB2 3.710 . 3.710 2.471 2.346 2.557 . 0 0 "[ . 1 . 2 . 3 ]" 1 3146 2 38 ASP H 2 38 ASP QB 3.210 . 3.210 2.263 2.230 2.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 3147 2 38 ASP H 2 38 ASP HB3 3.710 . 3.710 2.640 2.515 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 3148 2 38 ASP H 2 39 GLU H 3.890 . 3.890 2.731 2.661 2.795 . 0 0 "[ . 1 . 2 . 3 ]" 1 3149 2 38 ASP H 2 39 GLU HA 5.500 . 5.500 5.339 5.286 5.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 3150 2 38 ASP H 2 39 GLU HB3 5.460 . 5.460 5.368 5.149 5.482 0.022 24 0 "[ . 1 . 2 . 3 ]" 1 3151 2 38 ASP H 2 39 GLU HG2 4.440 . 4.440 3.814 3.669 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 3152 2 38 ASP H 2 40 CYS H 4.450 . 4.450 4.188 4.119 4.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 3153 2 38 ASP H 2 40 CYS HB2 5.270 . 5.270 5.127 5.021 5.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 3154 2 38 ASP HA 2 39 GLU HA 5.070 . 5.070 4.738 4.708 4.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 3155 2 38 ASP HA 2 40 CYS H 5.500 . 5.500 4.567 4.476 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1 3156 2 38 ASP HA 2 41 ILE H 4.480 . 4.480 3.988 3.905 4.119 . 0 0 "[ . 1 . 2 . 3 ]" 1 3157 2 38 ASP HA 2 42 ARG H 4.300 . 4.300 4.031 3.933 4.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 3158 2 38 ASP HA 2 66 LEU QD 4.190 . 4.190 3.120 2.955 3.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 3159 2 38 ASP QB 2 39 GLU H 3.440 . 3.440 2.586 2.472 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 3160 2 38 ASP QB 2 39 GLU HA 4.890 . 4.890 4.119 4.000 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 3161 2 38 ASP HB2 2 39 GLU H 4.020 . 4.020 3.850 3.733 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 3162 2 38 ASP HB3 2 39 GLU H 4.020 . 4.020 2.628 2.504 2.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 3163 2 39 GLU H 2 39 GLU HB2 3.670 . 3.670 3.574 3.550 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1 3164 2 39 GLU H 2 39 GLU HB3 2.900 . 2.900 2.769 2.592 2.900 0.000 24 0 "[ . 1 . 2 . 3 ]" 1 3165 2 39 GLU H 2 39 GLU HG2 3.670 . 3.670 1.829 1.637 2.077 . 0 0 "[ . 1 . 2 . 3 ]" 1 3166 2 39 GLU H 2 39 GLU HG3 3.720 . 3.720 3.001 2.578 3.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 3167 2 39 GLU H 2 40 CYS H 3.810 . 3.810 2.575 2.517 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 3168 2 39 GLU H 2 41 ILE H 4.850 . 4.850 4.394 4.300 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 3169 2 39 GLU HA 2 39 GLU HG2 4.210 . 4.210 3.665 3.558 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 3170 2 39 GLU HA 2 39 GLU HG3 4.210 . 4.210 3.833 3.717 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 3171 2 39 GLU HA 2 42 ARG H 3.960 . 3.960 3.668 3.540 3.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 3172 2 39 GLU HA 2 42 ARG HA 5.500 . 5.500 5.408 5.260 5.497 . 0 0 "[ . 1 . 2 . 3 ]" 1 3173 2 39 GLU HA 2 42 ARG HB2 4.660 . 4.660 2.816 2.588 2.899 . 0 0 "[ . 1 . 2 . 3 ]" 1 3174 2 39 GLU HA 2 42 ARG HB3 3.840 . 3.840 3.179 2.990 3.430 . 0 0 "[ . 1 . 2 . 3 ]" 1 3175 2 39 GLU HA 2 42 ARG HD2 4.630 . 4.630 3.288 3.162 3.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 3176 2 39 GLU HA 2 42 ARG HD3 5.060 . 5.060 5.035 4.920 5.101 0.041 26 0 "[ . 1 . 2 . 3 ]" 1 3177 2 39 GLU HA 2 42 ARG HG2 5.450 . 5.450 5.056 4.890 5.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 3178 2 39 GLU HA 2 42 ARG HG3 5.190 . 5.190 5.191 4.937 5.258 0.068 21 0 "[ . 1 . 2 . 3 ]" 1 3179 2 39 GLU HA 2 43 THR H 4.130 . 4.130 3.965 3.801 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 3180 2 39 GLU HB2 2 39 GLU HG3 2.770 . 2.770 2.405 2.262 2.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 3181 2 39 GLU HB2 2 40 CYS H 3.930 . 3.930 3.552 3.409 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1 3182 2 39 GLU HB2 2 40 CYS HA 4.700 . 4.700 4.265 4.171 4.514 . 0 0 "[ . 1 . 2 . 3 ]" 1 3183 2 39 GLU HB2 2 43 THR H 5.050 . 5.050 4.958 4.760 5.052 0.002 27 0 "[ . 1 . 2 . 3 ]" 1 3184 2 39 GLU HB3 2 40 CYS H 4.130 . 4.130 3.998 3.913 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1 3185 2 39 GLU HB3 2 40 CYS HA 5.500 . 5.500 5.578 5.557 5.596 0.096 32 0 "[ . 1 . 2 . 3 ]" 1 3186 2 39 GLU HG2 2 40 CYS H 4.280 . 4.280 2.677 2.184 2.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 3187 2 39 GLU HG2 2 41 ILE H 5.500 . 5.500 5.277 4.770 5.556 0.056 5 0 "[ . 1 . 2 . 3 ]" 1 3188 2 39 GLU HG3 2 40 CYS H 4.280 . 4.280 2.209 1.793 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 3189 2 39 GLU HG3 2 40 CYS HA 5.040 . 5.040 3.625 3.367 4.032 . 0 0 "[ . 1 . 2 . 3 ]" 1 3190 2 39 GLU HG3 2 41 ILE H 5.500 . 5.500 4.996 4.604 5.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 3191 2 40 CYS H 2 40 CYS HB2 3.590 . 3.590 2.354 2.256 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 3192 2 40 CYS H 2 40 CYS QB 3.550 . 3.550 2.323 2.231 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 3193 2 40 CYS H 2 41 ILE H 3.770 . 3.770 2.808 2.767 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 3194 2 40 CYS H 2 42 ARG H 4.400 . 4.400 4.001 3.926 4.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 3195 2 40 CYS H 2 42 ARG HB2 4.930 . 4.930 4.928 4.843 4.962 0.032 13 0 "[ . 1 . 2 . 3 ]" 1 3196 2 40 CYS HA 2 42 ARG H 4.790 . 4.790 4.441 4.376 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 3197 2 40 CYS HA 2 43 THR HB 4.040 . 4.040 3.070 2.944 3.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 3198 2 40 CYS HA 2 43 THR MG 4.710 . 4.710 4.302 4.184 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 3199 2 40 CYS HA 2 44 ALA H 4.810 . 4.810 4.410 4.282 4.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 3200 2 40 CYS QB 2 41 ILE H 3.780 . 3.780 2.348 2.306 2.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 3201 2 40 CYS QB 2 41 ILE HA 5.030 . 5.030 3.771 3.721 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1 3202 2 40 CYS QB 2 41 ILE HB 5.270 . 5.270 3.944 3.901 3.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 3203 2 40 CYS QB 2 41 ILE MD 5.230 . 5.230 4.659 4.569 4.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 3204 2 40 CYS QB 2 42 ARG H 4.630 . 4.630 4.468 4.428 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 3205 2 40 CYS HB2 2 41 ILE H 3.820 . 3.820 2.415 2.358 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 3206 2 40 CYS HB2 2 41 ILE HB 5.500 . 5.500 4.231 4.141 4.337 . 0 0 "[ . 1 . 2 . 3 ]" 1 3207 2 40 CYS HB2 2 42 ARG H 5.500 . 5.500 4.802 4.748 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 3208 2 40 CYS HB3 2 41 ILE HA 4.520 . 4.520 4.088 3.952 4.180 . 0 0 "[ . 1 . 2 . 3 ]" 1 3209 2 41 ILE H 2 41 ILE HB 4.210 . 4.210 2.548 2.494 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 3210 2 41 ILE H 2 41 ILE MD 4.140 . 4.140 4.050 4.000 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 3211 2 41 ILE H 2 42 ARG H 3.720 . 3.720 2.656 2.612 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 3212 2 41 ILE H 2 42 ARG HB2 5.500 . 5.500 4.503 4.456 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 3213 2 41 ILE H 2 44 ALA MB 5.210 . 5.210 4.872 4.765 4.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 3214 2 41 ILE H 2 66 LEU MD1 5.500 . 5.500 4.767 4.641 4.958 . 0 0 "[ . 1 . 2 . 3 ]" 1 3215 2 41 ILE H 2 66 LEU QD 4.780 . 4.780 4.468 4.371 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 3216 2 41 ILE H 2 66 LEU MD2 5.500 . 5.500 5.396 5.286 5.505 0.005 5 0 "[ . 1 . 2 . 3 ]" 1 3217 2 41 ILE HA 2 41 ILE MD 3.030 . 3.030 1.982 1.920 2.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 3218 2 41 ILE HA 2 44 ALA H 3.960 . 3.960 3.379 3.256 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 3219 2 41 ILE HA 2 44 ALA MB 3.200 . 3.200 2.723 2.600 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 3220 2 41 ILE HA 2 54 PRO HG2 5.490 . 5.490 4.300 4.140 4.432 . 0 0 "[ . 1 . 2 . 3 ]" 1 3221 2 41 ILE HA 2 54 PRO HG3 4.320 . 4.320 3.065 2.959 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 3222 2 41 ILE HB 2 41 ILE MD 2.890 . 2.890 2.447 2.419 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 1 3223 2 41 ILE HB 2 42 ARG H 5.300 . 5.300 3.985 3.954 4.022 . 0 0 "[ . 1 . 2 . 3 ]" 1 3224 2 41 ILE HB 2 44 ALA MB 5.480 . 5.480 4.724 4.612 4.825 . 0 0 "[ . 1 . 2 . 3 ]" 1 3225 2 41 ILE HB 2 54 PRO HG2 5.500 . 5.500 5.031 4.871 5.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 3226 2 41 ILE MD 2 42 ARG HA 4.750 . 4.750 4.743 4.649 4.788 0.038 10 0 "[ . 1 . 2 . 3 ]" 1 3227 2 41 ILE MD 2 44 ALA H 4.540 . 4.540 4.080 3.862 4.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 3228 2 41 ILE MD 2 44 ALA MB 3.020 . 3.020 2.379 2.260 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 3229 2 41 ILE MD 2 45 LEU H 4.580 . 4.580 3.796 3.681 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 3230 2 41 ILE MD 2 45 LEU HB2 5.470 . 5.470 4.914 4.763 5.011 . 0 0 "[ . 1 . 2 . 3 ]" 1 3231 2 41 ILE MD 2 45 LEU MD1 3.470 . 3.470 3.056 2.885 3.574 0.104 6 0 "[ . 1 . 2 . 3 ]" 1 3232 2 41 ILE MD 2 45 LEU MD2 3.470 . 3.470 3.200 2.045 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 3233 2 41 ILE MD 2 45 LEU HG 4.000 . 4.000 2.954 2.815 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 3234 2 41 ILE MD 2 53 CYS HA 3.820 . 3.820 3.708 3.598 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 3235 2 41 ILE MD 2 53 CYS HB2 5.100 . 5.100 4.819 4.657 4.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 3236 2 41 ILE MD 2 54 PRO HA 5.500 . 5.500 5.291 5.229 5.355 . 0 0 "[ . 1 . 2 . 3 ]" 1 3237 2 41 ILE MD 2 54 PRO HB2 5.500 . 5.500 4.290 4.234 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 3238 2 41 ILE MD 2 54 PRO HB3 4.980 . 4.980 4.098 4.035 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 3239 2 41 ILE MD 2 54 PRO HD2 3.610 . 3.610 2.529 2.478 2.575 . 0 0 "[ . 1 . 2 . 3 ]" 1 3240 2 41 ILE MD 2 54 PRO HD3 3.610 . 3.610 2.652 2.560 2.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 3241 2 41 ILE MD 2 54 PRO HG2 3.960 . 3.960 2.661 2.594 2.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 3242 2 41 ILE MD 2 54 PRO HG3 3.420 . 3.420 2.250 2.194 2.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 3243 2 41 ILE MD 2 55 THR H 5.500 . 5.500 5.418 5.276 5.525 0.025 30 0 "[ . 1 . 2 . 3 ]" 1 3244 2 41 ILE MD 2 55 THR MG 4.440 . 4.440 4.428 4.363 4.509 0.069 10 0 "[ . 1 . 2 . 3 ]" 1 3245 2 41 ILE MD 2 61 VAL HB 5.500 . 5.500 5.102 4.856 5.321 . 0 0 "[ . 1 . 2 . 3 ]" 1 3246 2 41 ILE MD 2 66 LEU MD1 5.250 . 5.250 4.354 4.196 4.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 3247 2 41 ILE MD 2 66 LEU QD 3.950 . 3.950 3.306 3.142 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1 3248 2 41 ILE MD 2 66 LEU MD2 5.250 . 5.250 3.426 3.244 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 3249 2 42 ARG H 2 42 ARG HB2 3.630 . 3.630 2.084 2.067 2.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 3250 2 42 ARG H 2 42 ARG HB3 3.630 . 3.630 3.049 2.985 3.259 . 0 0 "[ . 1 . 2 . 3 ]" 1 3251 2 42 ARG H 2 42 ARG HD2 5.500 . 5.500 4.522 4.368 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 3252 2 42 ARG H 2 42 ARG HD3 5.500 . 5.500 5.611 5.517 5.656 0.156 8 0 "[ . 1 . 2 . 3 ]" 1 3253 2 42 ARG H 2 42 ARG HG2 4.650 . 4.650 4.563 4.469 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 3254 2 42 ARG H 2 42 ARG HG3 4.520 . 4.520 3.920 3.620 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 3255 2 42 ARG H 2 43 THR H 3.580 . 3.580 2.692 2.617 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 3256 2 42 ARG H 2 43 THR HB 5.500 . 5.500 4.823 4.746 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 3257 2 42 ARG H 2 44 ALA H 4.500 . 4.500 4.161 4.083 4.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 3258 2 42 ARG H 2 63 PRO HB3 5.300 . 5.300 5.187 4.842 5.334 0.034 13 0 "[ . 1 . 2 . 3 ]" 1 3259 2 42 ARG H 2 66 LEU MD1 5.500 . 5.500 3.560 3.345 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1 3260 2 42 ARG H 2 66 LEU QD 4.160 . 4.160 3.474 3.279 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1 3261 2 42 ARG H 2 66 LEU MD2 5.500 . 5.500 4.852 4.680 5.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 3262 2 42 ARG HA 2 42 ARG HE 4.960 . 4.960 4.643 4.426 4.962 0.002 23 0 "[ . 1 . 2 . 3 ]" 1 3263 2 42 ARG HA 2 42 ARG HG2 3.890 . 3.890 2.915 2.692 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 3264 2 42 ARG HA 2 42 ARG HG3 3.770 . 3.770 2.221 2.176 2.313 . 0 0 "[ . 1 . 2 . 3 ]" 1 3265 2 42 ARG HA 2 44 ALA H 4.590 . 4.590 4.472 4.228 4.571 . 0 0 "[ . 1 . 2 . 3 ]" 1 3266 2 42 ARG HA 2 45 LEU H 4.330 . 4.330 3.757 3.683 3.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 3267 2 42 ARG HA 2 45 LEU HB2 4.800 . 4.800 3.450 3.277 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1 3268 2 42 ARG HA 2 45 LEU HB3 5.500 . 5.500 5.144 4.936 5.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 3269 2 42 ARG HA 2 45 LEU QD 3.730 . 3.730 3.016 2.898 3.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 3270 2 42 ARG HA 2 46 LEU H 4.780 . 4.780 4.289 4.089 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 3271 2 42 ARG HA 2 46 LEU MD1 4.810 . 4.810 3.792 3.062 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 3272 2 42 ARG HA 2 46 LEU QD 4.000 . 4.000 3.501 2.986 3.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 3273 2 42 ARG HA 2 46 LEU MD2 4.810 . 4.810 4.416 4.098 4.842 0.032 16 0 "[ . 1 . 2 . 3 ]" 1 3274 2 42 ARG HA 2 63 PRO HA 4.630 . 4.630 3.661 3.452 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 3275 2 42 ARG HA 2 63 PRO HB3 4.190 . 4.190 2.512 2.354 2.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 3276 2 42 ARG HA 2 63 PRO HG3 5.070 . 5.070 4.414 3.355 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 3277 2 42 ARG HA 2 66 LEU QD 3.800 . 3.800 2.948 2.673 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1 3278 2 42 ARG HB2 2 42 ARG HD2 4.000 . 4.000 2.451 2.320 2.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 3279 2 42 ARG HB2 2 42 ARG HD3 4.000 . 4.000 3.598 3.572 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 3280 2 42 ARG HB2 2 42 ARG HE 4.260 . 4.260 2.719 2.542 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1 3281 2 42 ARG HB2 2 42 ARG HH11 5.110 . 5.110 4.615 4.411 4.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 3282 2 42 ARG HB2 2 43 THR H 3.860 . 3.860 3.236 2.948 3.339 . 0 0 "[ . 1 . 2 . 3 ]" 1 3283 2 42 ARG HB2 2 46 LEU MD1 5.500 . 5.500 4.514 4.125 4.822 . 0 0 "[ . 1 . 2 . 3 ]" 1 3284 2 42 ARG HB2 2 46 LEU QD 4.830 . 4.830 4.246 3.999 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 3285 2 42 ARG HB2 2 46 LEU MD2 5.500 . 5.500 5.248 4.424 5.534 0.034 27 0 "[ . 1 . 2 . 3 ]" 1 3286 2 42 ARG HB3 2 42 ARG HE 4.650 . 4.650 3.999 3.881 4.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 3287 2 42 ARG HB3 2 43 THR H 3.750 . 3.750 2.502 2.360 2.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 3288 2 42 ARG HB3 2 46 LEU MD1 4.860 . 4.860 3.330 2.698 3.923 . 0 0 "[ . 1 . 2 . 3 ]" 1 3289 2 42 ARG HB3 2 46 LEU QD 4.890 . 4.890 3.099 2.676 3.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 3290 2 42 ARG HD2 2 46 LEU MD1 5.500 . 5.500 4.325 3.771 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 3291 2 42 ARG HD2 2 46 LEU QD 4.710 . 4.710 3.998 3.682 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1 3292 2 42 ARG HD2 2 46 LEU MD2 5.500 . 5.500 4.951 3.977 5.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 3293 2 42 ARG HD2 2 66 LEU QD 5.440 . 5.440 4.438 4.165 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 3294 2 42 ARG HD3 2 46 LEU MD1 5.500 . 5.500 4.006 3.602 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 3295 2 42 ARG HD3 2 46 LEU QD 4.580 . 4.580 3.721 3.431 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 3296 2 42 ARG HD3 2 46 LEU MD2 5.500 . 5.500 4.461 3.845 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 3297 2 42 ARG HD3 2 66 LEU QD 5.160 . 5.160 4.340 4.067 4.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 3298 2 42 ARG HE 2 42 ARG HG2 4.060 . 4.060 3.994 3.953 4.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 3299 2 42 ARG HE 2 42 ARG HG3 3.950 . 3.950 3.146 2.995 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 3300 2 42 ARG HE 2 46 LEU QD 5.440 . 5.440 5.365 5.131 5.519 0.079 23 0 "[ . 1 . 2 . 3 ]" 1 3301 2 42 ARG HE 2 66 LEU QD 4.480 . 4.480 3.134 2.834 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 3302 2 42 ARG HG2 2 43 THR H 4.950 . 4.950 4.483 4.342 4.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 3303 2 42 ARG HG2 2 46 LEU MD1 4.130 . 4.130 2.502 2.235 2.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 3304 2 42 ARG HG2 2 46 LEU QD 4.160 . 4.160 2.391 2.191 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1 3305 2 42 ARG HG2 2 63 PRO HB3 4.480 . 4.480 3.066 2.214 3.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 3306 2 42 ARG HG2 2 66 LEU QD 4.320 . 4.320 4.234 3.818 4.365 0.045 27 0 "[ . 1 . 2 . 3 ]" 1 3307 2 42 ARG HG3 2 42 ARG HH21 5.460 . 5.460 4.437 4.278 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 3308 2 42 ARG HG3 2 43 THR H 4.950 . 4.950 4.845 4.767 4.953 0.003 18 0 "[ . 1 . 2 . 3 ]" 1 3309 2 42 ARG HG3 2 46 LEU QD 5.020 . 5.020 3.471 3.132 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 3310 2 42 ARG HG3 2 63 PRO HB2 4.600 . 4.600 2.393 2.210 2.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 3311 2 42 ARG HG3 2 63 PRO HB3 4.630 . 4.630 2.331 2.006 3.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 3312 2 42 ARG HG3 2 66 LEU QD 5.150 . 5.150 2.824 2.431 2.961 . 0 0 "[ . 1 . 2 . 3 ]" 1 3313 2 42 ARG HH11 2 66 LEU QD 5.440 . 5.440 3.672 3.360 3.862 . 0 0 "[ . 1 . 2 . 3 ]" 1 3314 2 42 ARG HH21 2 66 LEU QD 5.440 . 5.440 2.645 2.392 2.944 . 0 0 "[ . 1 . 2 . 3 ]" 1 3315 2 43 THR H 2 43 THR HB 3.250 . 3.250 2.538 2.452 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 3316 2 43 THR H 2 43 THR MG 3.800 . 3.800 3.744 3.732 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 3317 2 43 THR H 2 44 ALA H 3.470 . 3.470 2.791 2.700 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 3318 2 43 THR H 2 44 ALA HA 5.500 . 5.500 5.359 5.284 5.422 . 0 0 "[ . 1 . 2 . 3 ]" 1 3319 2 43 THR H 2 44 ALA MB 5.500 . 5.500 4.445 4.353 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 3320 2 43 THR H 2 45 LEU H 4.870 . 4.870 4.434 4.370 4.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 3321 2 43 THR H 2 45 LEU QD 5.440 . 5.440 5.430 4.773 5.517 0.077 8 0 "[ . 1 . 2 . 3 ]" 1 3322 2 43 THR H 2 46 LEU H 5.350 . 5.350 4.714 4.648 4.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 3323 2 43 THR H 2 46 LEU MD1 5.500 . 5.500 4.202 3.441 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 3324 2 43 THR H 2 46 LEU QD 4.310 . 4.310 3.928 3.409 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 3325 2 43 THR H 2 46 LEU MD2 5.500 . 5.500 5.071 4.046 5.560 0.060 21 0 "[ . 1 . 2 . 3 ]" 1 3326 2 43 THR HA 2 43 THR MG 3.140 . 3.140 2.397 2.350 2.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 3327 2 43 THR HA 2 44 ALA MB 5.070 . 5.070 5.042 5.029 5.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 3328 2 43 THR HA 2 45 LEU H 4.770 . 4.770 4.524 4.407 4.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 3329 2 43 THR HA 2 46 LEU H 3.880 . 3.880 3.411 3.329 3.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 3330 2 43 THR HA 2 46 LEU HB2 3.880 . 3.880 2.460 2.269 2.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 3331 2 43 THR HA 2 46 LEU HB3 5.140 . 5.140 3.896 3.396 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1 3332 2 43 THR HA 2 46 LEU MD1 4.380 . 4.380 3.019 2.221 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 3333 2 43 THR HA 2 46 LEU QD 3.320 . 3.320 2.649 2.215 3.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 3334 2 43 THR HA 2 46 LEU HG 5.070 . 5.070 3.970 2.976 5.130 0.060 14 0 "[ . 1 . 2 . 3 ]" 1 3335 2 43 THR HA 2 47 GLU H 4.400 . 4.400 3.857 3.668 4.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 3336 2 43 THR HA 2 47 GLU HG2 5.360 . 5.360 4.676 3.628 5.360 0.000 22 0 "[ . 1 . 2 . 3 ]" 1 3337 2 43 THR HA 2 47 GLU QG 4.380 . 4.380 3.611 3.426 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1 3338 2 43 THR HA 2 47 GLU HG3 5.040 . 5.040 3.929 3.494 5.053 0.013 25 0 "[ . 1 . 2 . 3 ]" 1 3339 2 43 THR HB 2 44 ALA H 3.760 . 3.760 2.600 2.515 2.846 . 0 0 "[ . 1 . 2 . 3 ]" 1 3340 2 43 THR HB 2 44 ALA MB 5.160 . 5.160 4.013 3.924 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 3341 2 43 THR MG 2 44 ALA H 3.430 . 3.430 3.444 3.415 3.508 0.078 6 0 "[ . 1 . 2 . 3 ]" 1 3342 2 43 THR MG 2 44 ALA HA 3.430 . 3.430 3.446 3.336 3.468 0.038 8 0 "[ . 1 . 2 . 3 ]" 1 3343 2 43 THR MG 2 44 ALA MB 4.130 . 4.130 4.166 4.087 4.198 0.068 29 0 "[ . 1 . 2 . 3 ]" 1 3344 2 43 THR MG 2 45 LEU H 5.270 . 5.270 5.085 4.956 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 3345 2 43 THR MG 2 46 LEU HB2 4.750 . 4.750 3.790 3.572 3.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 3346 2 43 THR MG 2 47 GLU H 4.280 . 4.280 3.803 3.681 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 3347 2 43 THR MG 2 47 GLU HB2 4.120 . 4.120 3.721 3.577 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 3348 2 43 THR MG 2 47 GLU HG2 3.830 . 3.830 3.249 2.331 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 3349 2 43 THR MG 2 47 GLU QG 3.130 . 3.130 2.244 2.036 2.484 . 0 0 "[ . 1 . 2 . 3 ]" 1 3350 2 43 THR MG 2 47 GLU HG3 3.830 . 3.830 2.315 2.077 2.669 . 0 0 "[ . 1 . 2 . 3 ]" 1 3351 2 44 ALA H 2 44 ALA MB 2.750 . 2.750 2.236 2.227 2.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 3352 2 44 ALA H 2 45 LEU H 3.480 . 3.480 2.806 2.517 2.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 3353 2 44 ALA H 2 45 LEU MD1 5.500 . 5.500 5.261 5.116 5.675 0.175 6 0 "[ . 1 . 2 . 3 ]" 1 3354 2 44 ALA H 2 45 LEU MD2 5.500 . 5.500 5.452 3.342 5.568 0.068 1 0 "[ . 1 . 2 . 3 ]" 1 3355 2 44 ALA H 2 45 LEU HG 5.500 . 5.500 4.552 4.424 5.697 0.197 6 0 "[ . 1 . 2 . 3 ]" 1 3356 2 44 ALA H 2 46 LEU H 4.630 . 4.630 4.032 3.878 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1 3357 2 44 ALA H 2 46 LEU QD 5.400 . 5.400 4.919 4.691 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 3358 2 44 ALA HA 2 47 GLU H 5.020 . 5.020 3.780 3.689 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 3359 2 44 ALA HA 2 47 GLU HB2 3.900 . 3.900 3.241 2.959 3.523 . 0 0 "[ . 1 . 2 . 3 ]" 1 3360 2 44 ALA HA 2 47 GLU QG 4.400 . 4.400 3.890 3.343 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1 3361 2 44 ALA HA 2 48 SER H 5.210 . 5.210 4.336 3.978 5.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 3362 2 44 ALA MB 2 45 LEU H 3.140 . 3.140 2.464 2.406 2.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 3363 2 44 ALA MB 2 45 LEU HA 4.290 . 4.290 3.832 3.763 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 3364 2 44 ALA MB 2 45 LEU MD1 4.680 . 4.680 4.146 3.945 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1 3365 2 44 ALA MB 2 45 LEU QD 3.750 . 3.750 3.306 1.966 3.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 3366 2 44 ALA MB 2 45 LEU MD2 4.680 . 4.680 3.487 1.971 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1 3367 2 44 ALA MB 2 45 LEU HG 4.400 . 4.400 3.019 2.880 4.545 0.145 6 0 "[ . 1 . 2 . 3 ]" 1 3368 2 44 ALA MB 2 46 LEU H 5.500 . 5.500 4.394 4.328 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 3369 2 44 ALA MB 2 47 GLU QG 5.340 . 5.340 5.072 4.609 5.383 0.043 14 0 "[ . 1 . 2 . 3 ]" 1 3370 2 44 ALA MB 2 53 CYS HA 4.690 . 4.690 3.950 3.784 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1 3371 2 44 ALA MB 2 54 PRO HA 4.260 . 4.260 3.949 3.837 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 3372 2 44 ALA MB 2 54 PRO HB2 4.410 . 4.410 3.581 3.455 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 3373 2 44 ALA MB 2 54 PRO HB3 3.390 . 3.390 2.346 2.236 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 3374 2 44 ALA MB 2 54 PRO HD2 4.430 . 4.430 3.752 3.684 3.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 3375 2 44 ALA MB 2 54 PRO HD3 4.430 . 4.430 2.446 2.360 2.565 . 0 0 "[ . 1 . 2 . 3 ]" 1 3376 2 44 ALA MB 2 54 PRO HG2 4.300 . 4.300 3.681 3.579 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 3377 2 44 ALA MB 2 54 PRO HG3 3.170 . 3.170 2.300 2.191 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 3378 2 44 ALA MB 2 55 THR H 5.500 . 5.500 5.618 5.579 5.668 0.168 27 0 "[ . 1 . 2 . 3 ]" 1 3379 2 45 LEU H 2 45 LEU HB2 3.680 . 3.680 2.537 2.382 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 3380 2 45 LEU H 2 45 LEU HB3 3.680 . 3.680 3.610 3.563 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 3381 2 45 LEU H 2 45 LEU MD1 3.780 . 3.780 3.437 3.348 3.785 0.005 6 0 "[ . 1 . 2 . 3 ]" 1 3382 2 45 LEU H 2 45 LEU QD 3.280 . 3.280 3.024 1.873 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 3383 2 45 LEU H 2 45 LEU MD2 3.780 . 3.780 3.402 1.877 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 3384 2 45 LEU H 2 45 LEU HG 4.110 . 4.110 2.257 2.148 3.650 . 0 0 "[ . 1 . 2 . 3 ]" 1 3385 2 45 LEU H 2 46 LEU H 3.630 . 3.630 2.516 2.453 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1 3386 2 45 LEU H 2 46 LEU HA 5.500 . 5.500 5.137 5.078 5.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 3387 2 45 LEU H 2 46 LEU QD 4.350 . 4.350 4.231 3.843 4.494 0.144 13 0 "[ . 1 . 2 . 3 ]" 1 3388 2 45 LEU HA 2 45 LEU MD1 4.020 . 4.020 3.860 2.203 3.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 3389 2 45 LEU HA 2 45 LEU QD 2.790 . 2.790 2.170 2.072 2.221 . 0 0 "[ . 1 . 2 . 3 ]" 1 3390 2 45 LEU HA 2 45 LEU MD2 4.020 . 4.020 2.195 2.143 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 3391 2 45 LEU HA 2 51 HIS HA 4.280 . 4.280 2.813 2.635 3.050 . 0 0 "[ . 1 . 2 . 3 ]" 1 3392 2 45 LEU HA 2 51 HIS HD2 4.660 . 4.660 3.705 3.475 4.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 3393 2 45 LEU HA 2 52 THR HB 5.500 . 5.500 5.422 5.197 5.571 0.071 13 0 "[ . 1 . 2 . 3 ]" 1 3394 2 45 LEU HB2 2 46 LEU H 3.830 . 3.830 2.844 2.699 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1 3395 2 45 LEU HB2 2 46 LEU QD 4.200 . 4.200 3.222 2.793 3.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3396 2 45 LEU HB2 2 51 HIS HD2 5.230 . 5.230 4.744 4.509 5.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 3397 2 45 LEU HB2 2 62 SER HA 5.120 . 5.120 4.252 4.070 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 3398 2 45 LEU HB2 2 63 PRO HB3 4.950 . 4.950 3.148 2.162 3.755 . 0 0 "[ . 1 . 2 . 3 ]" 1 3399 2 45 LEU HB2 2 63 PRO HD3 4.920 . 4.920 2.984 2.779 3.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 3400 2 45 LEU HB3 2 45 LEU MD1 3.470 . 3.470 2.507 2.297 2.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 3401 2 45 LEU HB3 2 45 LEU MD2 3.470 . 3.470 2.299 2.244 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 3402 2 45 LEU HB3 2 46 LEU H 4.160 . 4.160 3.887 3.740 3.970 . 0 0 "[ . 1 . 2 . 3 ]" 1 3403 2 45 LEU HB3 2 46 LEU HA 5.300 . 5.300 4.557 4.351 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 3404 2 45 LEU HB3 2 51 HIS H 5.330 . 5.330 5.390 5.344 5.455 0.125 6 0 "[ . 1 . 2 . 3 ]" 1 3405 2 45 LEU HB3 2 51 HIS HD2 4.710 . 4.710 3.266 3.024 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 3406 2 45 LEU HB3 2 63 PRO HA 5.500 . 5.500 5.042 4.226 5.328 . 0 0 "[ . 1 . 2 . 3 ]" 1 3407 2 45 LEU HB3 2 63 PRO HB3 5.500 . 5.500 4.395 3.185 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 3408 2 45 LEU HB3 2 63 PRO HD2 5.230 . 5.230 4.442 3.867 4.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 3409 2 45 LEU HB3 2 63 PRO HD3 4.920 . 4.920 2.743 2.095 3.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 3410 2 45 LEU QD 2 46 LEU H 4.210 . 4.210 4.125 3.740 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 3411 2 45 LEU QD 2 48 SER H 5.440 . 5.440 4.968 4.672 5.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 3412 2 45 LEU QD 2 51 HIS H 5.310 . 5.310 4.633 4.351 4.799 . 0 0 "[ . 1 . 2 . 3 ]" 1 3413 2 45 LEU QD 2 51 HIS HA 3.890 . 3.890 2.813 2.411 3.003 . 0 0 "[ . 1 . 2 . 3 ]" 1 3414 2 45 LEU QD 2 51 HIS HB2 4.140 . 4.140 3.958 3.711 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 3415 2 45 LEU QD 2 51 HIS HB3 4.100 . 4.100 2.528 2.240 2.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 3416 2 45 LEU QD 2 51 HIS HD2 5.440 . 5.440 3.767 3.501 4.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 3417 2 45 LEU QD 2 52 THR H 4.150 . 4.150 4.003 3.830 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1 3418 2 45 LEU QD 2 52 THR HA 4.690 . 4.690 4.493 4.356 4.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 3419 2 45 LEU QD 2 52 THR HB 5.440 . 5.440 4.966 4.787 5.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 3420 2 45 LEU QD 2 53 CYS H 4.170 . 4.170 4.057 3.919 4.222 0.052 6 0 "[ . 1 . 2 . 3 ]" 1 3421 2 45 LEU QD 2 53 CYS HA 3.300 . 3.300 2.869 2.651 3.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 3422 2 45 LEU QD 2 53 CYS HB2 4.270 . 4.270 3.747 3.602 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 3423 2 45 LEU QD 2 53 CYS HB3 5.220 . 5.220 4.882 4.722 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 3424 2 45 LEU QD 2 54 PRO HD2 4.480 . 4.480 3.851 3.478 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 3425 2 45 LEU QD 2 54 PRO HD3 4.400 . 4.400 3.264 2.751 3.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 3426 2 45 LEU QD 2 58 GLN HB2 5.410 . 5.410 5.168 4.948 5.410 0.000 22 0 "[ . 1 . 2 . 3 ]" 1 3427 2 45 LEU QD 2 60 ASP H 5.230 . 5.230 5.008 4.687 5.259 0.029 6 0 "[ . 1 . 2 . 3 ]" 1 3428 2 45 LEU QD 2 61 VAL H 4.370 . 4.370 3.675 3.484 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 3429 2 45 LEU QD 2 61 VAL HB 3.720 . 3.720 2.007 1.865 2.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 3430 2 45 LEU QD 2 62 SER H 4.380 . 4.380 2.645 2.406 2.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 3431 2 45 LEU QD 2 62 SER HA 4.840 . 4.840 2.502 2.408 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1 3432 2 45 LEU QD 2 62 SER QB 5.280 . 5.280 3.826 3.793 4.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 3433 2 45 LEU QD 2 63 PRO HA 3.370 . 3.370 2.468 2.316 3.450 0.080 6 0 "[ . 1 . 2 . 3 ]" 1 3434 2 45 LEU QD 2 63 PRO HB2 4.650 . 4.650 4.083 3.908 4.705 0.055 6 0 "[ . 1 . 2 . 3 ]" 1 3435 2 45 LEU QD 2 63 PRO HB3 4.140 . 4.140 2.818 2.599 3.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 3436 2 45 LEU QD 2 63 PRO HD2 5.200 . 5.200 3.777 3.589 4.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 3437 2 45 LEU QD 2 63 PRO HD3 4.460 . 4.460 2.750 2.510 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 3438 2 45 LEU QD 2 63 PRO HG3 4.620 . 4.620 3.874 2.911 4.326 . 0 0 "[ . 1 . 2 . 3 ]" 1 3439 2 45 LEU QD 2 64 ASP H 5.440 . 5.440 4.271 4.123 4.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 3440 2 45 LEU QD 2 65 ALA MB 5.440 . 5.440 4.289 4.004 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 3441 2 45 LEU QD 2 66 LEU H 5.440 . 5.440 5.046 4.780 5.582 0.142 6 0 "[ . 1 . 2 . 3 ]" 1 3442 2 45 LEU QD 2 66 LEU QD 2.990 . 2.990 2.474 2.224 2.992 0.002 6 0 "[ . 1 . 2 . 3 ]" 1 3443 2 45 LEU MD1 2 46 LEU H 4.830 . 4.830 4.546 4.409 4.857 0.027 6 0 "[ . 1 . 2 . 3 ]" 1 3444 2 45 LEU MD1 2 51 HIS HD2 5.500 . 5.500 5.025 3.545 5.308 . 0 0 "[ . 1 . 2 . 3 ]" 1 3445 2 45 LEU MD1 2 54 PRO HG3 5.500 . 5.500 5.526 5.447 5.599 0.099 6 0 "[ . 1 . 2 . 3 ]" 1 3446 2 45 LEU MD1 2 61 VAL HB 4.010 . 4.010 2.869 1.959 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 3447 2 45 LEU MD1 2 62 SER H 4.990 . 4.990 2.741 2.457 2.894 . 0 0 "[ . 1 . 2 . 3 ]" 1 3448 2 45 LEU MD2 2 46 LEU H 4.830 . 4.830 4.747 3.889 4.810 . 0 0 "[ . 1 . 2 . 3 ]" 1 3449 2 45 LEU MD2 2 51 HIS HD2 5.500 . 5.500 3.944 3.617 5.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 3450 2 45 LEU MD2 2 54 PRO HG3 5.500 . 5.500 4.872 3.696 5.178 . 0 0 "[ . 1 . 2 . 3 ]" 1 3451 2 45 LEU MD2 2 61 VAL HB 4.010 . 4.010 2.109 1.889 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 3452 2 45 LEU MD2 2 62 SER H 4.990 . 4.990 3.522 3.196 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 3453 2 45 LEU HG 2 62 SER H 5.500 . 5.500 5.440 3.871 5.605 0.105 3 0 "[ . 1 . 2 . 3 ]" 1 3454 2 45 LEU HG 2 62 SER HA 5.090 . 5.090 5.222 3.998 5.342 0.252 21 0 "[ . 1 . 2 . 3 ]" 1 3455 2 46 LEU H 2 46 LEU HB2 3.690 . 3.690 2.353 2.059 2.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 3456 2 46 LEU H 2 46 LEU HB3 3.880 . 3.880 3.523 3.349 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 3457 2 46 LEU H 2 46 LEU MD1 4.090 . 4.090 3.199 2.369 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1 3458 2 46 LEU H 2 46 LEU QD 3.060 . 3.060 2.772 2.341 3.105 0.045 13 0 "[ . 1 . 2 . 3 ]" 1 3459 2 46 LEU H 2 46 LEU MD2 4.090 . 4.090 3.464 3.043 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 3460 2 46 LEU H 2 46 LEU HG 3.990 . 3.990 3.089 2.205 4.165 0.175 22 0 "[ . 1 . 2 . 3 ]" 1 3461 2 46 LEU HA 2 46 LEU MD1 4.060 . 4.060 3.143 2.051 3.886 . 0 0 "[ . 1 . 2 . 3 ]" 1 3462 2 46 LEU HA 2 46 LEU QD 2.600 . 2.600 2.154 2.038 2.303 . 0 0 "[ . 1 . 2 . 3 ]" 1 3463 2 46 LEU HA 2 46 LEU MD2 4.060 . 4.060 2.833 2.046 3.801 . 0 0 "[ . 1 . 2 . 3 ]" 1 3464 2 46 LEU HA 2 46 LEU HG 3.730 . 3.730 2.903 2.361 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 3465 2 46 LEU HB2 2 46 LEU QD 2.830 . 2.830 2.227 2.104 2.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 3466 2 46 LEU HB2 2 47 GLU H 3.900 . 3.900 2.755 2.444 3.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 3467 2 46 LEU HB2 2 47 GLU QG 5.200 . 5.200 3.541 3.151 4.102 . 0 0 "[ . 1 . 2 . 3 ]" 1 3468 2 46 LEU HB2 2 48 SER H 5.500 . 5.500 5.032 4.763 5.322 . 0 0 "[ . 1 . 2 . 3 ]" 1 3469 2 46 LEU HB3 2 46 LEU MD1 3.240 . 3.240 2.717 2.275 3.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 3470 2 46 LEU HB3 2 46 LEU QD 2.830 . 2.830 2.188 2.085 2.379 . 0 0 "[ . 1 . 2 . 3 ]" 1 3471 2 46 LEU HB3 2 46 LEU MD2 3.240 . 3.240 2.380 2.279 2.479 . 0 0 "[ . 1 . 2 . 3 ]" 1 3472 2 46 LEU HB3 2 47 GLU H 4.410 . 4.410 3.483 3.050 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 3473 2 46 LEU HB3 2 47 GLU QG 5.340 . 5.340 4.016 3.402 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1 3474 2 46 LEU QD 2 63 PRO HB3 3.550 . 3.550 3.034 2.650 3.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 3475 2 46 LEU QD 2 63 PRO HD2 4.270 . 4.270 4.197 3.970 4.303 0.033 13 0 "[ . 1 . 2 . 3 ]" 1 3476 2 46 LEU QD 2 63 PRO HD3 3.890 . 3.890 3.473 3.043 3.773 . 0 0 "[ . 1 . 2 . 3 ]" 1 3477 2 46 LEU QD 2 63 PRO HG3 4.140 . 4.140 2.144 1.975 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 3478 2 47 GLU H 2 47 GLU HA 2.870 . 2.870 2.857 2.821 2.896 0.026 16 0 "[ . 1 . 2 . 3 ]" 1 3479 2 47 GLU H 2 47 GLU HB2 2.830 . 2.830 2.409 2.321 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 3480 2 47 GLU H 2 47 GLU HG2 3.750 . 3.750 3.131 2.378 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 3481 2 47 GLU H 2 47 GLU QG 3.060 . 3.060 2.478 2.265 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 3482 2 47 GLU H 2 47 GLU HG3 3.750 . 3.750 2.801 2.303 3.779 0.029 25 0 "[ . 1 . 2 . 3 ]" 1 3483 2 47 GLU H 2 48 SER H 3.210 . 3.210 2.561 2.431 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1 3484 2 47 GLU HA 2 47 GLU HG2 4.010 . 4.010 2.455 2.271 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1 3485 2 47 GLU HA 2 47 GLU QG 3.380 . 3.380 2.396 2.237 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 3486 2 47 GLU HA 2 47 GLU HG3 4.010 . 4.010 3.384 3.033 3.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 3487 2 47 GLU HB2 2 48 SER H 4.330 . 4.330 2.860 2.354 3.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 3488 2 47 GLU HB3 2 48 SER H 4.330 . 4.330 3.738 3.295 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 3489 2 47 GLU HB3 2 48 SER HA 4.710 . 4.710 4.422 4.222 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 3490 2 47 GLU HG2 2 48 SER H 5.390 . 5.390 4.826 4.375 5.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 3491 2 47 GLU HG3 2 48 SER H 5.390 . 5.390 4.627 4.284 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 3492 2 48 SER H 2 48 SER HB2 3.770 . 3.770 2.697 2.580 2.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 3493 2 48 SER H 2 48 SER HB3 3.770 . 3.770 3.656 3.550 3.828 0.058 20 0 "[ . 1 . 2 . 3 ]" 1 3494 2 48 SER H 2 49 ASP H 4.780 . 4.780 4.295 3.981 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 3495 2 48 SER H 2 49 ASP HA 5.500 . 5.500 5.138 4.655 5.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 3496 2 48 SER H 2 51 HIS H 4.910 . 4.910 4.810 4.535 4.955 0.045 13 0 "[ . 1 . 2 . 3 ]" 1 3497 2 48 SER H 2 51 HIS HD2 5.460 . 5.460 5.000 4.349 5.346 . 0 0 "[ . 1 . 2 . 3 ]" 1 3498 2 48 SER HA 2 49 ASP H 2.690 . 2.690 2.151 2.103 2.189 . 0 0 "[ . 1 . 2 . 3 ]" 1 3499 2 48 SER HA 2 49 ASP QB 4.460 . 4.460 4.136 4.027 4.498 0.038 11 0 "[ . 1 . 2 . 3 ]" 1 3500 2 48 SER HA 2 50 GLU H 4.180 . 4.180 3.628 3.445 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 3501 2 48 SER HB2 2 49 ASP H 4.700 . 4.700 4.253 3.949 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 3502 2 48 SER HB2 2 51 HIS H 4.770 . 4.770 3.004 2.701 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1 3503 2 48 SER HB2 2 52 THR H 3.680 . 3.680 2.110 1.816 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 3504 2 48 SER HB2 2 52 THR HB 4.480 . 4.480 3.365 3.152 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 3505 2 48 SER HB3 2 49 ASP H 4.440 . 4.440 3.703 3.326 3.911 . 0 0 "[ . 1 . 2 . 3 ]" 1 3506 2 48 SER HB3 2 51 HIS H 3.800 . 3.800 3.466 3.084 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1 3507 2 48 SER HB3 2 52 THR H 3.680 . 3.680 2.216 1.848 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 3508 2 48 SER HB3 2 52 THR HB 4.450 . 4.450 2.705 2.365 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 3509 2 49 ASP H 2 49 ASP QB 2.810 . 2.810 2.264 2.045 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 1 3510 2 49 ASP H 2 50 GLU H 3.270 . 3.270 2.655 2.412 2.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 3511 2 49 ASP H 2 50 GLU QG 4.160 . 4.160 3.962 3.449 4.220 0.060 16 0 "[ . 1 . 2 . 3 ]" 1 3512 2 49 ASP H 2 51 HIS H 4.310 . 4.310 4.019 3.795 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1 3513 2 49 ASP HA 2 49 ASP QB 2.720 . 2.720 2.370 2.256 2.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 3514 2 49 ASP HA 2 50 GLU H 3.570 . 3.570 3.472 3.338 3.518 . 0 0 "[ . 1 . 2 . 3 ]" 1 3515 2 49 ASP QB 2 50 GLU H 3.380 . 3.380 2.803 2.548 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1 3516 2 49 ASP QB 2 50 GLU QG 4.350 . 4.350 3.916 2.706 4.455 0.105 10 0 "[ . 1 . 2 . 3 ]" 1 3517 2 49 ASP QB 2 51 HIS H 4.900 . 4.900 4.479 4.328 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 3518 2 50 GLU H 2 50 GLU HB2 3.750 . 3.750 3.462 2.512 3.678 . 0 0 "[ . 1 . 2 . 3 ]" 1 3519 2 50 GLU H 2 50 GLU QG 2.900 . 2.900 2.106 1.830 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 3520 2 50 GLU H 2 51 HIS HA 4.740 . 4.740 4.659 4.326 4.773 0.033 5 0 "[ . 1 . 2 . 3 ]" 1 3521 2 50 GLU H 2 51 HIS HD2 5.090 . 5.090 5.127 4.974 5.156 0.066 10 0 "[ . 1 . 2 . 3 ]" 1 3522 2 50 GLU HA 2 50 GLU HB3 2.810 . 2.810 2.345 2.296 2.449 . 0 0 "[ . 1 . 2 . 3 ]" 1 3523 2 50 GLU HA 2 50 GLU QG 3.460 . 3.460 3.325 2.875 3.482 0.022 18 0 "[ . 1 . 2 . 3 ]" 1 3524 2 50 GLU HA 2 51 HIS H 3.520 . 3.520 3.192 3.091 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 3525 2 50 GLU HA 2 59 ASN HB2 5.500 . 5.500 4.589 4.271 4.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 3526 2 50 GLU HB2 2 50 GLU QG 2.700 . 2.700 2.246 2.134 2.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 3527 2 50 GLU HB2 2 51 HIS H 4.270 . 4.270 4.152 3.478 4.335 0.065 26 0 "[ . 1 . 2 . 3 ]" 1 3528 2 50 GLU HB2 2 52 THR H 5.500 . 5.500 4.356 2.979 4.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 3529 2 50 GLU HB2 2 59 ASN HB2 5.150 . 5.150 3.107 2.545 4.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 3530 2 50 GLU HB3 2 59 ASN HB2 5.060 . 5.060 4.295 2.872 4.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 3531 2 50 GLU QG 2 51 HIS H 4.230 . 4.230 3.343 2.907 4.289 0.059 24 0 "[ . 1 . 2 . 3 ]" 1 3532 2 50 GLU QG 2 52 THR HB 5.500 . 5.500 4.077 3.525 5.528 0.028 24 0 "[ . 1 . 2 . 3 ]" 1 3533 2 50 GLU QG 2 52 THR MG 5.500 . 5.500 3.932 3.616 5.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 3534 2 50 GLU QG 2 59 ASN HA 5.500 . 5.500 4.503 3.753 5.589 0.089 1 0 "[ . 1 . 2 . 3 ]" 1 3535 2 51 HIS H 2 51 HIS HD2 3.640 . 3.640 2.858 2.730 3.135 . 0 0 "[ . 1 . 2 . 3 ]" 1 3536 2 51 HIS H 2 52 THR HB 5.280 . 5.280 5.265 5.029 5.336 0.056 15 0 "[ . 1 . 2 . 3 ]" 1 3537 2 51 HIS HA 2 51 HIS HD2 3.130 . 3.130 2.282 2.224 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 3538 2 51 HIS HA 2 52 THR H 3.490 . 3.490 2.710 2.611 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 3539 2 51 HIS HA 2 61 VAL H 5.260 . 5.260 4.753 4.397 4.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 3540 2 51 HIS HB2 2 52 THR HA 5.270 . 5.270 4.926 4.839 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 3541 2 51 HIS HB2 2 59 ASN HA 5.300 . 5.300 3.299 2.983 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 3542 2 51 HIS HB2 2 60 ASP H 4.410 . 4.410 3.769 3.378 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 3543 2 51 HIS HB2 2 60 ASP HA 4.370 . 4.370 3.416 3.075 3.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3544 2 51 HIS HB2 2 61 VAL H 3.700 . 3.700 2.714 2.510 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 3545 2 51 HIS HB2 2 61 VAL HB 5.500 . 5.500 4.705 4.294 4.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 3546 2 51 HIS HB3 2 52 THR HA 5.500 . 5.500 5.045 4.956 5.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 3547 2 51 HIS HB3 2 59 ASN HA 5.500 . 5.500 4.291 3.950 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1 3548 2 51 HIS HB3 2 60 ASP H 4.690 . 4.690 4.113 3.825 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1 3549 2 51 HIS HB3 2 60 ASP HA 4.570 . 4.570 4.272 3.741 4.621 0.051 6 0 "[ . 1 . 2 . 3 ]" 1 3550 2 51 HIS HB3 2 61 VAL H 4.520 . 4.520 2.346 1.902 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 3551 2 51 HIS HE1 2 60 ASP HA 5.360 . 5.360 5.452 5.381 5.496 0.136 16 0 "[ . 1 . 2 . 3 ]" 1 3552 2 51 HIS HE1 2 62 SER HA 4.620 . 4.620 4.521 4.314 4.633 0.013 23 0 "[ . 1 . 2 . 3 ]" 1 3553 2 51 HIS HE1 2 63 PRO HD2 5.500 . 5.500 5.133 4.899 5.542 0.042 23 0 "[ . 1 . 2 . 3 ]" 1 3554 2 51 HIS HE1 2 63 PRO HD3 5.290 . 5.290 5.355 5.160 5.402 0.112 26 0 "[ . 1 . 2 . 3 ]" 1 3555 2 52 THR H 2 52 THR HB 3.090 . 3.090 2.682 2.492 2.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 3556 2 52 THR H 2 52 THR MG 3.890 . 3.890 3.734 3.701 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 3557 2 52 THR H 2 53 CYS H 4.590 . 4.590 4.434 4.378 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1 3558 2 52 THR HA 2 52 THR MG 3.130 . 3.130 2.299 2.231 2.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 3559 2 52 THR HA 2 53 CYS H 3.410 . 3.410 2.146 2.107 2.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 3560 2 52 THR HA 2 57 HIS HB3 5.090 . 5.090 4.817 4.556 5.081 . 0 0 "[ . 1 . 2 . 3 ]" 1 3561 2 52 THR HA 2 58 GLN H 4.200 . 4.200 4.026 3.886 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1 3562 2 52 THR HB 2 53 CYS H 4.610 . 4.610 4.200 4.116 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 3563 2 52 THR MG 2 53 CYS H 3.320 . 3.320 2.965 2.806 3.144 . 0 0 "[ . 1 . 2 . 3 ]" 1 3564 2 52 THR MG 2 53 CYS HB2 5.120 . 5.120 4.950 4.831 5.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 3565 2 52 THR MG 2 53 CYS HB3 4.520 . 4.520 4.248 4.097 4.348 . 0 0 "[ . 1 . 2 . 3 ]" 1 3566 2 52 THR MG 2 54 PRO HA 4.300 . 4.300 4.301 4.137 4.369 0.069 3 0 "[ . 1 . 2 . 3 ]" 1 3567 2 52 THR MG 2 57 HIS H 3.910 . 3.910 3.947 3.881 3.996 0.086 17 0 "[ . 1 . 2 . 3 ]" 1 3568 2 52 THR MG 2 57 HIS HA 2.860 . 2.860 2.136 2.089 2.182 . 0 0 "[ . 1 . 2 . 3 ]" 1 3569 2 52 THR MG 2 57 HIS HB2 4.410 . 4.410 3.940 3.736 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 3570 2 52 THR MG 2 57 HIS HB3 3.900 . 3.900 2.664 2.413 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 3571 2 52 THR MG 2 57 HIS HD2 4.330 . 4.330 2.555 2.101 3.093 . 0 0 "[ . 1 . 2 . 3 ]" 1 3572 2 52 THR MG 2 58 GLN H 4.090 . 4.090 3.958 3.829 4.109 0.019 21 0 "[ . 1 . 2 . 3 ]" 1 3573 2 53 CYS H 2 53 CYS HB2 3.580 . 3.580 2.552 2.459 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 3574 2 53 CYS H 2 53 CYS HB3 3.590 . 3.590 2.526 2.451 2.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 3575 2 53 CYS H 2 54 PRO HD2 5.050 . 5.050 4.952 4.901 5.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 3576 2 53 CYS H 2 57 HIS H 4.420 . 4.420 3.815 3.712 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 3577 2 53 CYS H 2 57 HIS HA 4.480 . 4.480 2.803 2.616 3.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 3578 2 53 CYS H 2 58 GLN H 4.120 . 4.120 2.332 2.203 2.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 3579 2 53 CYS H 2 58 GLN HA 4.680 . 4.680 4.194 4.115 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 3580 2 53 CYS H 2 58 GLN HB2 4.800 . 4.800 3.410 3.228 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 3581 2 53 CYS H 2 58 GLN HE21 5.500 . 5.500 5.564 5.509 5.686 0.186 22 0 "[ . 1 . 2 . 3 ]" 1 3582 2 53 CYS HA 2 54 PRO HD2 3.630 . 3.630 2.369 2.314 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1 3583 2 53 CYS HA 2 54 PRO HD3 3.630 . 3.630 2.119 2.072 2.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 3584 2 53 CYS HA 2 54 PRO HG3 4.420 . 4.420 4.316 4.275 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 3585 2 53 CYS HA 2 55 THR H 4.810 . 4.810 4.099 3.983 4.194 . 0 0 "[ . 1 . 2 . 3 ]" 1 3586 2 53 CYS HA 2 57 HIS H 4.840 . 4.840 4.496 4.354 4.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 3587 2 53 CYS HB2 2 54 PRO HD2 4.890 . 4.890 3.756 3.622 3.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 3588 2 53 CYS HB2 2 55 THR H 4.930 . 4.930 4.530 4.371 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1 3589 2 53 CYS HB2 2 56 CYS H 4.580 . 4.580 4.094 4.023 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 3590 2 53 CYS HB2 2 57 HIS H 3.980 . 3.980 3.952 3.718 4.062 0.082 3 0 "[ . 1 . 2 . 3 ]" 1 3591 2 53 CYS HB2 2 57 HIS HA 4.910 . 4.910 4.372 4.130 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 3592 2 53 CYS HB2 2 58 GLN H 3.700 . 3.700 2.555 2.456 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 3593 2 53 CYS HB2 2 58 GLN HB2 5.050 . 5.050 2.353 2.147 2.542 . 0 0 "[ . 1 . 2 . 3 ]" 1 3594 2 53 CYS HB2 2 58 GLN HB3 4.380 . 4.380 3.307 2.889 3.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 3595 2 53 CYS HB3 2 54 PRO HD3 4.890 . 4.890 4.749 4.691 4.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 3596 2 53 CYS HB3 2 55 THR H 4.300 . 4.300 3.233 3.106 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 3597 2 53 CYS HB3 2 55 THR MG 5.380 . 5.380 3.502 3.374 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1 3598 2 53 CYS HB3 2 56 CYS H 4.190 . 4.190 2.703 2.586 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1 3599 2 53 CYS HB3 2 57 HIS H 3.910 . 3.910 2.204 1.971 2.314 . 0 0 "[ . 1 . 2 . 3 ]" 1 3600 2 53 CYS HB3 2 57 HIS HA 4.950 . 4.950 3.024 2.759 3.276 . 0 0 "[ . 1 . 2 . 3 ]" 1 3601 2 53 CYS HB3 2 58 GLN H 3.640 . 3.640 1.626 1.570 1.698 . 0 0 "[ . 1 . 2 . 3 ]" 1 3602 2 53 CYS HB3 2 58 GLN HB2 4.530 . 4.530 2.700 2.501 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 3603 2 53 CYS HB3 2 58 GLN HB3 5.380 . 5.380 4.098 3.748 4.297 . 0 0 "[ . 1 . 2 . 3 ]" 1 3604 2 54 PRO HA 2 55 THR MG 4.770 . 4.770 4.932 4.858 5.008 0.238 10 0 "[ . 1 . 2 . 3 ]" 1 3605 2 54 PRO HA 2 57 HIS H 5.160 . 5.160 4.582 4.499 4.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 3606 2 54 PRO HA 2 57 HIS HE1 5.460 . 5.460 5.001 4.361 5.478 0.018 25 0 "[ . 1 . 2 . 3 ]" 1 3607 2 54 PRO HB2 2 55 THR H 4.250 . 4.250 4.299 4.235 4.322 0.072 30 0 "[ . 1 . 2 . 3 ]" 1 3608 2 54 PRO HB2 2 55 THR MG 5.490 . 5.490 5.053 4.659 5.142 . 0 0 "[ . 1 . 2 . 3 ]" 1 3609 2 54 PRO HB3 2 55 THR H 4.640 . 4.640 4.623 4.596 4.654 0.014 2 0 "[ . 1 . 2 . 3 ]" 1 3610 2 54 PRO HB3 2 55 THR MG 5.500 . 5.500 5.719 5.494 5.783 0.283 10 0 "[ . 1 . 2 . 3 ]" 1 3611 2 54 PRO HD2 2 55 THR H 4.490 . 4.490 3.610 3.394 3.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 3612 2 54 PRO HD2 2 55 THR MG 5.340 . 5.340 3.450 3.334 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1 3613 2 54 PRO HD2 2 57 HIS H 5.450 . 5.450 5.013 4.840 5.127 . 0 0 "[ . 1 . 2 . 3 ]" 1 3614 2 54 PRO HD2 2 58 GLN H 5.500 . 5.500 5.551 5.513 5.592 0.092 31 0 "[ . 1 . 2 . 3 ]" 1 3615 2 54 PRO HD3 2 55 THR H 4.750 . 4.750 4.429 4.294 4.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 3616 2 54 PRO HD3 2 55 THR MG 5.310 . 5.310 4.911 4.827 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 3617 2 54 PRO HG2 2 55 THR H 4.650 . 4.650 4.103 3.918 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1 3618 2 54 PRO HG2 2 55 THR HA 5.440 . 5.440 5.079 4.924 5.231 . 0 0 "[ . 1 . 2 . 3 ]" 1 3619 2 54 PRO HG2 2 55 THR MG 4.550 . 4.550 3.906 3.521 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 3620 2 54 PRO HG3 2 55 THR H 5.500 . 5.500 5.181 5.041 5.288 . 0 0 "[ . 1 . 2 . 3 ]" 1 3621 2 55 THR H 2 55 THR HB 3.960 . 3.960 3.190 3.096 3.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 3622 2 55 THR H 2 55 THR MG 3.600 . 3.600 2.726 2.543 2.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 3623 2 55 THR H 2 56 CYS HA 5.050 . 5.050 4.453 4.414 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 3624 2 55 THR H 2 56 CYS HB3 5.050 . 5.050 5.035 4.917 5.084 0.034 21 0 "[ . 1 . 2 . 3 ]" 1 3625 2 55 THR H 2 57 HIS H 3.950 . 3.950 2.309 2.245 2.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 3626 2 55 THR H 2 57 HIS HA 4.860 . 4.860 3.810 3.703 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1 3627 2 55 THR H 2 57 HIS HE1 4.990 . 4.990 4.599 4.315 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1 3628 2 55 THR HA 2 55 THR MG 3.200 . 3.200 3.172 3.140 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1 3629 2 55 THR HA 2 56 CYS HA 4.860 . 4.860 4.559 4.539 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1 3630 2 55 THR HA 2 57 HIS H 5.200 . 5.200 4.414 4.320 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 3631 2 55 THR HA 2 57 HIS HE1 4.110 . 4.110 4.033 3.645 4.143 0.033 21 0 "[ . 1 . 2 . 3 ]" 1 3632 2 55 THR HB 2 56 CYS H 4.540 . 4.540 3.601 3.559 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 3633 2 55 THR HB 2 57 HIS H 5.500 . 5.500 5.107 5.052 5.401 . 0 0 "[ . 1 . 2 . 3 ]" 1 3634 2 55 THR MG 2 56 CYS H 3.680 . 3.680 1.835 1.788 1.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 3635 2 55 THR MG 2 56 CYS HA 4.330 . 4.330 3.304 3.256 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 3636 2 55 THR MG 2 56 CYS HB2 4.820 . 4.820 3.850 3.805 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 3637 2 55 THR MG 2 56 CYS HB3 4.060 . 4.060 2.444 2.363 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1 3638 2 55 THR MG 2 57 HIS H 4.170 . 4.170 3.498 3.426 3.688 . 0 0 "[ . 1 . 2 . 3 ]" 1 3639 2 55 THR MG 2 57 HIS HA 5.500 . 5.500 5.288 5.184 5.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 3640 2 56 CYS H 2 56 CYS HB2 4.090 . 4.090 3.711 3.669 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1 3641 2 56 CYS H 2 56 CYS HB3 4.090 . 4.090 2.916 2.839 3.003 . 0 0 "[ . 1 . 2 . 3 ]" 1 3642 2 56 CYS H 2 57 HIS H 3.640 . 3.640 2.036 1.948 2.085 . 0 0 "[ . 1 . 2 . 3 ]" 1 3643 2 56 CYS H 2 57 HIS HA 4.990 . 4.990 4.232 4.133 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1 3644 2 56 CYS H 2 57 HIS HE1 5.500 . 5.500 5.541 5.503 5.570 0.070 26 0 "[ . 1 . 2 . 3 ]" 1 3645 2 56 CYS H 2 58 GLN H 5.140 . 5.140 3.755 3.601 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 3646 2 56 CYS HA 2 57 HIS HB2 4.760 . 4.760 4.270 4.172 4.371 . 0 0 "[ . 1 . 2 . 3 ]" 1 3647 2 56 CYS HB2 2 57 HIS H 4.720 . 4.720 4.196 4.111 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 3648 2 56 CYS HB3 2 57 HIS H 4.460 . 4.460 4.226 4.134 4.290 . 0 0 "[ . 1 . 2 . 3 ]" 1 3649 2 56 CYS HB3 2 58 GLN H 5.290 . 5.290 4.964 4.817 5.084 . 0 0 "[ . 1 . 2 . 3 ]" 1 3650 2 57 HIS H 2 57 HIS HB2 4.050 . 4.050 3.516 3.440 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1 3651 2 57 HIS H 2 57 HIS HB3 4.060 . 4.060 4.064 4.032 4.088 0.028 26 0 "[ . 1 . 2 . 3 ]" 1 3652 2 57 HIS H 2 58 GLN H 3.770 . 3.770 2.676 2.567 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 3653 2 57 HIS HA 2 57 HIS HD2 4.970 . 4.970 3.568 3.252 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 3654 2 57 HIS HB2 2 57 HIS HD2 3.900 . 3.900 3.797 3.659 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1 3655 2 57 HIS HB3 2 57 HIS HD2 3.600 . 3.600 2.708 2.664 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1 3656 2 58 GLN H 2 58 GLN HB2 3.410 . 3.410 2.068 2.048 2.096 . 0 0 "[ . 1 . 2 . 3 ]" 1 3657 2 58 GLN H 2 58 GLN HB3 3.450 . 3.450 3.246 3.072 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 3658 2 58 GLN H 2 58 GLN HG2 4.190 . 4.190 3.623 3.398 3.874 . 0 0 "[ . 1 . 2 . 3 ]" 1 3659 2 58 GLN H 2 58 GLN HG3 4.570 . 4.570 4.120 3.893 4.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 3660 2 58 GLN H 2 59 ASN H 4.750 . 4.750 4.612 4.586 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 3661 2 58 GLN HA 2 58 GLN HE21 4.300 . 4.300 3.966 3.712 4.420 0.120 13 0 "[ . 1 . 2 . 3 ]" 1 3662 2 58 GLN HA 2 58 GLN HG2 3.580 . 3.580 2.252 2.143 2.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 3663 2 58 GLN HA 2 58 GLN HG3 3.580 . 3.580 3.534 3.479 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1 3664 2 58 GLN HA 2 59 ASN H 2.700 . 2.700 2.539 2.333 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 3665 2 58 GLN HA 2 59 ASN HB3 4.700 . 4.700 4.209 4.080 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 3666 2 58 GLN HA 2 59 ASN HD21 5.080 . 5.080 3.294 2.969 5.121 0.041 25 0 "[ . 1 . 2 . 3 ]" 1 3667 2 58 GLN HA 2 60 ASP H 5.160 . 5.160 4.443 4.191 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 3668 2 58 GLN HB2 2 58 GLN HE21 4.020 . 4.020 3.328 3.119 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 3669 2 58 GLN HB2 2 58 GLN HG2 2.690 . 2.690 2.584 2.487 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 3670 2 58 GLN HB2 2 59 ASN H 4.330 . 4.330 3.943 3.817 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 3671 2 58 GLN HB3 2 58 GLN HE21 4.020 . 4.020 1.892 1.683 2.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 3672 2 58 GLN HB3 2 59 ASN H 4.200 . 4.200 2.618 2.368 2.913 . 0 0 "[ . 1 . 2 . 3 ]" 1 3673 2 58 GLN HB3 2 60 ASP H 5.030 . 5.030 2.639 2.496 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 3674 2 58 GLN HE21 2 58 GLN HG3 3.350 . 3.350 2.704 2.333 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 3675 2 58 GLN HE21 2 59 ASN H 3.780 . 3.780 2.826 2.527 3.320 . 0 0 "[ . 1 . 2 . 3 ]" 1 3676 2 58 GLN HE21 2 59 ASN HD21 4.850 . 4.850 4.865 4.635 4.930 0.080 7 0 "[ . 1 . 2 . 3 ]" 1 3677 2 58 GLN HE21 2 60 ASP H 4.500 . 4.500 2.282 1.991 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 3678 2 58 GLN HE21 2 61 VAL HA 4.310 . 4.310 4.329 4.047 4.413 0.103 30 0 "[ . 1 . 2 . 3 ]" 1 3679 2 58 GLN HE22 2 58 GLN HG3 3.760 . 3.760 3.681 3.504 3.762 0.002 10 0 "[ . 1 . 2 . 3 ]" 1 3680 2 58 GLN HE22 2 59 ASN H 4.060 . 4.060 2.863 2.657 3.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 3681 2 58 GLN HE22 2 59 ASN HD22 4.490 . 4.490 4.443 4.107 4.569 0.079 10 0 "[ . 1 . 2 . 3 ]" 1 3682 2 58 GLN HE22 2 60 ASP HA 5.430 . 5.430 4.398 4.010 4.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 3683 2 58 GLN HG2 2 59 ASN H 4.150 . 4.150 3.695 3.433 3.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 3684 2 58 GLN HG2 2 60 ASP H 5.500 . 5.500 5.062 4.788 5.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 3685 2 58 GLN HG3 2 59 ASN H 4.660 . 4.660 4.200 3.892 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 3686 2 58 GLN HG3 2 60 ASP H 5.480 . 5.480 4.702 4.281 5.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 3687 2 59 ASN H 2 59 ASN HB2 4.020 . 4.020 3.874 3.773 3.938 . 0 0 "[ . 1 . 2 . 3 ]" 1 3688 2 59 ASN H 2 59 ASN HB3 3.820 . 3.820 3.165 3.020 3.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 3689 2 59 ASN H 2 59 ASN HD21 4.700 . 4.700 2.297 1.858 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 3690 2 59 ASN H 2 59 ASN HD22 4.700 . 4.700 3.344 3.154 3.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 3691 2 59 ASN H 2 60 ASP H 4.330 . 4.330 2.387 2.166 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 3692 2 59 ASN HA 2 59 ASN HD22 5.080 . 5.080 5.037 4.923 5.086 0.006 15 0 "[ . 1 . 2 . 3 ]" 1 3693 2 59 ASN HA 2 60 ASP H 3.510 . 3.510 2.956 2.714 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 3694 2 59 ASN HA 2 60 ASP HA 4.660 . 4.660 4.377 4.323 4.420 . 0 0 "[ . 1 . 2 . 3 ]" 1 3695 2 59 ASN HA 2 61 VAL H 5.100 . 5.100 3.993 3.819 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1 3696 2 59 ASN HB2 2 60 ASP H 4.820 . 4.820 4.508 4.409 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1 3697 2 59 ASN HB3 2 59 ASN HD22 3.980 . 3.980 3.583 3.496 4.082 0.102 25 0 "[ . 1 . 2 . 3 ]" 1 3698 2 59 ASN HB3 2 60 ASP H 4.790 . 4.790 4.592 4.485 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 3699 2 60 ASP H 2 60 ASP HB2 4.020 . 4.020 3.266 3.033 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 3700 2 60 ASP H 2 60 ASP HB3 4.020 . 4.020 3.082 2.929 3.209 . 0 0 "[ . 1 . 2 . 3 ]" 1 3701 2 60 ASP H 2 61 VAL H 3.590 . 3.590 2.259 1.835 2.642 . 0 0 "[ . 1 . 2 . 3 ]" 1 3702 2 60 ASP H 2 61 VAL HB 4.680 . 4.680 4.733 4.637 4.778 0.098 8 0 "[ . 1 . 2 . 3 ]" 1 3703 2 60 ASP HA 2 61 VAL H 3.470 . 3.470 2.798 2.540 3.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 3704 2 60 ASP HB2 2 61 VAL H 4.720 . 4.720 4.562 4.440 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1 3705 2 60 ASP HB3 2 61 VAL H 4.720 . 4.720 4.180 3.978 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1 3706 2 61 VAL H 2 61 VAL HB 3.680 . 3.680 3.019 2.938 3.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 3707 2 61 VAL H 2 62 SER H 4.670 . 4.670 4.414 4.267 4.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 3708 2 61 VAL HA 2 62 SER H 2.870 . 2.870 2.738 2.636 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1 3709 2 61 VAL HA 2 65 ALA MB 4.320 . 4.320 4.082 3.820 4.327 0.007 9 0 "[ . 1 . 2 . 3 ]" 1 3710 2 61 VAL HB 2 62 SER H 4.070 . 4.070 2.455 2.176 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 3711 2 62 SER H 2 62 SER HB2 3.800 . 3.800 3.123 2.940 3.838 0.038 10 0 "[ . 1 . 2 . 3 ]" 1 3712 2 62 SER H 2 62 SER QB 3.320 . 3.320 2.912 2.858 3.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 3713 2 62 SER H 2 62 SER HB3 3.800 . 3.800 3.736 3.074 3.932 0.132 3 0 "[ . 1 . 2 . 3 ]" 1 3714 2 62 SER H 2 63 PRO HD3 4.980 . 4.980 4.607 4.421 4.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 3715 2 62 SER H 2 64 ASP H 5.280 . 5.280 4.751 4.622 4.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 3716 2 62 SER H 2 65 ALA MB 4.800 . 4.800 3.102 2.739 3.401 . 0 0 "[ . 1 . 2 . 3 ]" 1 3717 2 62 SER H 2 66 LEU QD 4.640 . 4.640 4.267 4.077 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1 3718 2 62 SER HA 2 63 PRO HD2 3.330 . 3.330 2.545 2.346 2.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 3719 2 62 SER HA 2 63 PRO HD3 3.330 . 3.330 2.185 1.896 2.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 3720 2 62 SER HA 2 63 PRO HG2 5.490 . 5.490 4.579 4.468 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 3721 2 62 SER HA 2 63 PRO HG3 4.500 . 4.500 4.396 3.963 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1 3722 2 62 SER HA 2 66 LEU QD 5.440 . 5.440 5.133 4.982 5.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 3723 2 62 SER QB 2 63 PRO HD2 4.470 . 4.470 2.470 2.122 3.330 . 0 0 "[ . 1 . 2 . 3 ]" 1 3724 2 62 SER QB 2 63 PRO HD3 5.340 . 5.340 3.548 3.159 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 3725 2 62 SER QB 2 64 ASP H 3.660 . 3.660 2.413 2.129 3.285 . 0 0 "[ . 1 . 2 . 3 ]" 1 3726 2 62 SER QB 2 64 ASP QB 5.180 . 5.180 3.120 2.727 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 3727 2 62 SER QB 2 65 ALA H 3.860 . 3.860 2.985 2.655 3.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 3728 2 62 SER QB 2 65 ALA HA 5.340 . 5.340 4.739 4.187 4.995 . 0 0 "[ . 1 . 2 . 3 ]" 1 3729 2 62 SER QB 2 65 ALA MB 3.520 . 3.520 2.718 2.094 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1 3730 2 62 SER HB2 2 64 ASP H 4.360 . 4.360 3.623 3.192 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1 3731 2 62 SER HB2 2 65 ALA H 4.300 . 4.300 3.662 3.072 4.366 0.066 1 0 "[ . 1 . 2 . 3 ]" 1 3732 2 62 SER HB2 2 65 ALA MB 4.210 . 4.210 3.070 2.560 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 3733 2 62 SER HB3 2 64 ASP H 4.360 . 4.360 2.468 2.140 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 3734 2 62 SER HB3 2 65 ALA H 4.300 . 4.300 3.235 2.678 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 3735 2 62 SER HB3 2 65 ALA MB 4.210 . 4.210 3.485 2.109 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 3736 2 63 PRO HA 2 65 ALA H 4.240 . 4.240 3.793 3.609 3.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 3737 2 63 PRO HA 2 66 LEU H 4.180 . 4.180 3.975 3.720 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 3738 2 63 PRO HA 2 66 LEU MD1 3.510 . 3.510 2.317 2.150 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 3739 2 63 PRO HA 2 66 LEU QD 3.020 . 3.020 2.251 2.120 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 3740 2 63 PRO HA 2 66 LEU MD2 3.510 . 3.510 3.081 2.902 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1 3741 2 63 PRO HA 2 66 LEU HG 3.340 . 3.340 2.272 2.126 2.509 . 0 0 "[ . 1 . 2 . 3 ]" 1 3742 2 63 PRO HB2 2 64 ASP H 4.020 . 4.020 3.791 3.530 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1 3743 2 63 PRO HB2 2 64 ASP HA 5.060 . 5.060 4.325 4.147 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 3744 2 63 PRO HB3 2 64 ASP H 4.500 . 4.500 4.393 4.299 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 3745 2 63 PRO HB3 2 66 LEU QD 4.170 . 4.170 3.227 2.877 3.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 3746 2 63 PRO HD2 2 64 ASP H 3.990 . 3.990 2.644 2.444 2.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 3747 2 63 PRO HD3 2 64 ASP H 4.190 . 4.190 3.831 3.627 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 3748 2 63 PRO HG2 2 64 ASP H 4.020 . 4.020 3.166 2.817 4.036 0.016 23 0 "[ . 1 . 2 . 3 ]" 1 3749 2 63 PRO HG3 2 64 ASP H 4.510 . 4.510 4.390 4.169 4.578 0.068 23 0 "[ . 1 . 2 . 3 ]" 1 3750 2 64 ASP H 2 64 ASP HB2 3.430 . 3.430 2.634 2.403 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 3751 2 64 ASP H 2 64 ASP HB3 3.580 . 3.580 2.635 2.376 2.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 3752 2 64 ASP H 2 65 ALA H 3.120 . 3.120 2.216 2.052 2.387 . 0 0 "[ . 1 . 2 . 3 ]" 1 3753 2 64 ASP H 2 65 ALA HA 5.120 . 5.120 4.853 4.739 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1 3754 2 64 ASP H 2 65 ALA MB 4.210 . 4.210 3.886 3.770 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 3755 2 64 ASP H 2 66 LEU H 4.420 . 4.420 4.013 3.763 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1 3756 2 64 ASP H 2 66 LEU MD1 5.500 . 5.500 4.792 4.635 4.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 3757 2 64 ASP H 2 66 LEU QD 5.210 . 5.210 4.433 4.339 4.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 3758 2 64 ASP H 2 66 LEU HG 4.920 . 4.920 4.210 4.079 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1 3759 2 64 ASP HA 2 65 ALA H 3.540 . 3.540 3.360 3.176 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1 3760 2 64 ASP HA 2 66 LEU H 3.960 . 3.960 3.517 3.356 3.649 . 0 0 "[ . 1 . 2 . 3 ]" 1 3761 2 64 ASP HA 2 66 LEU QD 5.410 . 5.410 4.434 4.198 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 3762 2 64 ASP HA 2 66 LEU HG 5.500 . 5.500 4.536 4.234 4.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 3763 2 64 ASP QB 2 65 ALA H 3.690 . 3.690 3.158 2.993 3.481 . 0 0 "[ . 1 . 2 . 3 ]" 1 3764 2 64 ASP QB 2 65 ALA HA 4.810 . 4.810 4.241 4.104 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 3765 2 64 ASP QB 2 66 LEU H 5.330 . 5.330 4.648 4.562 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 1 3766 2 64 ASP HB2 2 65 ALA H 4.520 . 4.520 4.110 3.947 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1 3767 2 64 ASP HB3 2 65 ALA H 4.350 . 4.350 3.287 3.077 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 3768 2 65 ALA H 2 65 ALA MB 2.760 . 2.760 2.323 2.262 2.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 3769 2 65 ALA H 2 66 LEU H 3.290 . 3.290 2.459 2.232 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 3770 2 65 ALA H 2 66 LEU HB2 4.930 . 4.930 4.749 4.556 4.861 . 0 0 "[ . 1 . 2 . 3 ]" 1 3771 2 65 ALA H 2 66 LEU MD1 5.290 . 5.290 4.690 4.398 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 3772 2 65 ALA H 2 66 LEU QD 4.910 . 4.910 3.966 3.651 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1 3773 2 65 ALA H 2 66 LEU MD2 5.290 . 5.290 4.282 3.901 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 3774 2 65 ALA H 2 66 LEU HG 3.800 . 3.800 3.400 3.006 3.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 3775 2 65 ALA MB 2 66 LEU H 3.520 . 3.520 3.402 3.181 3.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 3776 2 65 ALA MB 2 66 LEU HG 4.580 . 4.580 4.234 4.076 4.326 . 0 0 "[ . 1 . 2 . 3 ]" 1 3777 2 66 LEU H 2 66 LEU HB2 3.310 . 3.310 2.489 2.405 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1 3778 2 66 LEU H 2 66 LEU HB3 3.780 . 3.780 3.595 3.580 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1 3779 2 66 LEU H 2 66 LEU MD1 3.860 . 3.860 3.592 3.505 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 3780 2 66 LEU H 2 66 LEU QD 3.280 . 3.280 3.078 2.960 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1 3781 2 66 LEU H 2 66 LEU MD2 3.860 . 3.860 3.349 3.187 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 3782 2 66 LEU H 2 66 LEU HG 3.280 . 3.280 2.285 2.086 2.430 . 0 0 "[ . 1 . 2 . 3 ]" 1 3783 2 66 LEU H 2 67 ILE H 4.650 . 4.650 4.486 4.388 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 3784 2 66 LEU H 2 67 ILE MD 5.450 . 5.450 5.459 5.258 5.502 0.052 13 0 "[ . 1 . 2 . 3 ]" 1 3785 2 66 LEU HA 2 66 LEU MD1 4.070 . 4.070 3.877 3.855 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 3786 2 66 LEU HA 2 66 LEU QD 3.000 . 3.000 2.072 2.022 2.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 3787 2 66 LEU HA 2 66 LEU MD2 4.070 . 4.070 2.081 2.029 2.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 3788 2 66 LEU HA 2 67 ILE H 3.270 . 3.270 2.139 2.107 2.187 . 0 0 "[ . 1 . 2 . 3 ]" 1 3789 2 66 LEU HB2 2 66 LEU MD1 3.610 . 3.610 2.315 2.286 2.348 . 0 0 "[ . 1 . 2 . 3 ]" 1 3790 2 66 LEU HB2 2 66 LEU QD 3.130 . 3.130 2.264 2.239 2.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 3791 2 66 LEU HB2 2 66 LEU MD2 3.610 . 3.610 3.199 3.193 3.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 3792 2 66 LEU HB2 2 67 ILE H 4.620 . 4.620 4.214 4.079 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 3793 2 66 LEU HB3 2 66 LEU MD1 3.290 . 3.290 2.404 2.370 2.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 3794 2 66 LEU HB3 2 66 LEU MD2 3.290 . 3.290 2.340 2.309 2.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 3795 2 66 LEU HB3 2 67 ILE H 4.290 . 4.290 3.360 3.051 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1 3796 2 66 LEU QD 2 67 ILE H 3.830 . 3.830 3.585 3.406 3.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 3797 2 66 LEU MD1 2 67 ILE H 5.310 . 5.310 5.140 4.907 5.276 . 0 0 "[ . 1 . 2 . 3 ]" 1 3798 2 66 LEU MD2 2 67 ILE H 5.310 . 5.310 3.659 3.474 3.821 . 0 0 "[ . 1 . 2 . 3 ]" 1 3799 2 67 ILE H 2 67 ILE HB 3.520 . 3.520 2.958 2.905 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 1 3800 2 67 ILE H 2 67 ILE MD 3.300 . 3.300 2.235 1.999 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 3801 2 67 ILE H 2 68 ALA H 4.600 . 4.600 4.540 4.511 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1 3802 2 67 ILE HA 2 67 ILE MD 3.900 . 3.900 3.889 3.810 3.932 0.032 19 0 "[ . 1 . 2 . 3 ]" 1 3803 2 67 ILE HA 2 68 ALA H 2.830 . 2.830 2.520 2.456 2.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 3804 2 67 ILE HA 2 68 ALA HA 4.570 . 4.570 4.340 4.313 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1 3805 2 67 ILE HA 2 68 ALA MB 4.150 . 4.150 4.028 3.998 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 3806 2 67 ILE HB 2 67 ILE MD 2.810 . 2.810 2.225 2.209 2.249 . 0 0 "[ . 1 . 2 . 3 ]" 1 3807 2 67 ILE HB 2 68 ALA H 3.780 . 3.780 2.955 2.809 3.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 3808 2 67 ILE MD 2 68 ALA H 4.920 . 4.920 4.637 4.532 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 3809 2 68 ALA H 2 68 ALA MB 2.730 . 2.730 2.321 2.179 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 3810 2 68 ALA H 2 69 ASN H 5.500 . 5.500 4.267 4.234 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 3811 2 68 ALA H 2 69 ASN HA 5.500 . 5.500 5.027 4.962 5.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 3812 2 68 ALA HA 2 69 ASN H 3.350 . 3.350 2.176 2.158 2.199 . 0 0 "[ . 1 . 2 . 3 ]" 1 3813 2 68 ALA HA 2 69 ASN HA 4.540 . 4.540 4.418 4.409 4.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 3814 2 68 ALA HA 2 69 ASN HB2 4.850 . 4.850 4.581 4.533 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 3815 2 68 ALA HA 2 70 LYS HG2 5.500 . 5.500 5.532 5.421 5.599 0.099 29 0 "[ . 1 . 2 . 3 ]" 1 3816 2 68 ALA HA 2 73 ARG HE 5.120 . 5.120 3.301 2.525 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 3817 2 68 ALA MB 2 69 ASN H 3.650 . 3.650 3.413 3.400 3.444 . 0 0 "[ . 1 . 2 . 3 ]" 1 3818 2 68 ALA MB 2 69 ASN HB2 5.500 . 5.500 5.355 5.327 5.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 3819 2 68 ALA MB 2 70 LYS H 4.440 . 4.440 3.680 3.197 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 3820 2 68 ALA MB 2 70 LYS HA 4.830 . 4.830 4.100 3.939 4.213 . 0 0 "[ . 1 . 2 . 3 ]" 1 3821 2 68 ALA MB 2 70 LYS QB 4.840 . 4.840 4.687 3.363 4.850 0.010 4 0 "[ . 1 . 2 . 3 ]" 1 3822 2 68 ALA MB 2 70 LYS QE 5.020 . 5.020 5.127 5.006 5.330 0.310 26 0 "[ . 1 . 2 . 3 ]" 1 3823 2 68 ALA MB 2 70 LYS HG3 4.480 . 4.480 3.821 3.665 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 3824 2 68 ALA MB 2 73 ARG HD2 5.270 . 5.270 3.609 3.091 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1 3825 2 68 ALA MB 2 73 ARG HD3 5.270 . 5.270 4.281 3.504 4.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 3826 2 68 ALA MB 2 73 ARG HE 4.080 . 4.080 3.366 2.845 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1 3827 2 69 ASN H 2 69 ASN HB2 4.210 . 4.210 2.539 2.492 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1 3828 2 69 ASN H 2 69 ASN HB3 4.210 . 4.210 2.742 2.679 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 3829 2 69 ASN H 2 70 LYS HG2 5.500 . 5.500 5.602 5.539 5.656 0.156 31 0 "[ . 1 . 2 . 3 ]" 1 3830 2 69 ASN H 2 73 ARG HD2 5.080 . 5.080 4.457 3.488 4.818 . 0 0 "[ . 1 . 2 . 3 ]" 1 3831 2 69 ASN HA 2 70 LYS H 3.440 . 3.440 2.243 2.159 2.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 3832 2 69 ASN HA 2 70 LYS HA 4.750 . 4.750 4.526 4.467 4.578 . 0 0 "[ . 1 . 2 . 3 ]" 1 3833 2 69 ASN HA 2 70 LYS QB 4.770 . 4.770 4.382 4.127 4.817 0.047 26 0 "[ . 1 . 2 . 3 ]" 1 3834 2 69 ASN HA 2 70 LYS HG2 5.350 . 5.350 4.877 4.472 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 3835 2 69 ASN HA 2 70 LYS HG3 4.820 . 4.820 4.156 3.484 4.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 3836 2 69 ASN HB2 2 72 LEU HB2 5.250 . 5.250 3.459 3.342 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 3837 2 69 ASN HB2 2 72 LEU HB3 5.500 . 5.500 4.292 3.719 4.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 3838 2 69 ASN HB2 2 73 ARG H 5.500 . 5.500 5.334 5.145 5.538 0.038 26 0 "[ . 1 . 2 . 3 ]" 1 3839 2 69 ASN HB3 2 70 LYS H 4.930 . 4.930 4.366 4.334 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 3840 2 69 ASN HB3 2 72 LEU HA 5.500 . 5.500 4.760 4.641 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1 3841 2 69 ASN HB3 2 72 LEU HB2 4.620 . 4.620 2.121 1.930 3.032 . 0 0 "[ . 1 . 2 . 3 ]" 1 3842 2 69 ASN HB3 2 72 LEU HB3 4.620 . 4.620 2.625 2.040 3.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 3843 2 69 ASN HB3 2 72 LEU MD1 4.750 . 4.750 4.180 3.325 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 3844 2 69 ASN HB3 2 72 LEU QD 4.100 . 4.100 3.566 3.265 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1 3845 2 69 ASN HB3 2 72 LEU MD2 4.750 . 4.750 3.939 3.690 4.769 0.019 5 0 "[ . 1 . 2 . 3 ]" 1 3846 2 69 ASN HB3 2 73 ARG H 4.530 . 4.530 3.637 3.419 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1 3847 2 69 ASN HD21 2 72 LEU HA 5.440 . 5.440 4.853 4.645 5.066 . 0 0 "[ . 1 . 2 . 3 ]" 1 3848 2 69 ASN HD21 2 72 LEU HB2 4.120 . 4.120 2.587 2.288 2.762 . 0 0 "[ . 1 . 2 . 3 ]" 1 3849 2 69 ASN HD21 2 72 LEU HB3 4.470 . 4.470 3.826 3.285 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 3850 2 69 ASN HD21 2 72 LEU MD1 4.890 . 4.890 4.228 4.053 4.483 . 0 0 "[ . 1 . 2 . 3 ]" 1 3851 2 69 ASN HD21 2 72 LEU MD2 4.890 . 4.890 2.838 2.438 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1 3852 2 69 ASN HD21 2 72 LEU HG 4.960 . 4.960 2.686 2.429 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1 3853 2 69 ASN HD21 2 73 ARG H 5.410 . 5.410 5.539 5.480 5.573 0.163 29 0 "[ . 1 . 2 . 3 ]" 1 3854 2 69 ASN HD22 2 72 LEU MD1 5.460 . 5.460 4.728 4.574 5.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 3855 2 69 ASN HD22 2 72 LEU MD2 5.390 . 5.390 2.463 1.979 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 3856 2 70 LYS H 2 70 LYS QB 3.070 . 3.070 2.579 2.378 2.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 3857 2 70 LYS H 2 70 LYS HD2 5.190 . 5.190 4.598 4.109 4.848 . 0 0 "[ . 1 . 2 . 3 ]" 1 3858 2 70 LYS H 2 70 LYS HD3 5.190 . 5.190 4.314 3.735 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 3859 2 70 LYS H 2 70 LYS QE 4.950 . 4.950 4.579 3.859 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 3860 2 70 LYS H 2 70 LYS HG2 3.830 . 3.830 2.744 2.386 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 1 3861 2 70 LYS H 2 70 LYS HG3 3.830 . 3.830 2.165 1.544 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 3862 2 70 LYS H 2 73 ARG HE 5.420 . 5.420 5.005 4.266 5.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 3863 2 70 LYS HA 2 70 LYS HD2 5.010 . 5.010 4.575 4.239 5.106 0.096 10 0 "[ . 1 . 2 . 3 ]" 1 3864 2 70 LYS HA 2 70 LYS HD3 4.810 . 4.810 4.781 4.543 5.209 0.399 26 0 "[ . 1 . 2 . 3 ]" 1 3865 2 70 LYS HA 2 70 LYS QE 3.890 . 3.890 3.404 2.831 3.945 0.055 20 0 "[ . 1 . 2 . 3 ]" 1 3866 2 70 LYS HA 2 70 LYS HG2 3.670 . 3.670 2.545 2.261 3.708 0.038 26 0 "[ . 1 . 2 . 3 ]" 1 3867 2 70 LYS HA 2 70 LYS HG3 3.920 . 3.920 3.402 3.336 3.459 . 0 0 "[ . 1 . 2 . 3 ]" 1 3868 2 70 LYS HA 2 71 PHE HA 5.300 . 5.300 4.797 4.715 4.853 . 0 0 "[ . 1 . 2 . 3 ]" 1 3869 2 70 LYS HA 2 71 PHE QD 5.500 . 5.500 4.403 4.212 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 3870 2 70 LYS HA 2 73 ARG H 4.470 . 4.470 3.730 2.858 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 3871 2 70 LYS HA 2 73 ARG QB 5.160 . 5.160 3.066 2.190 4.493 . 0 0 "[ . 1 . 2 . 3 ]" 1 3872 2 70 LYS HA 2 73 ARG HD2 4.920 . 4.920 2.247 1.725 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 3873 2 70 LYS HA 2 73 ARG HD3 4.370 . 4.370 3.714 2.253 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1 3874 2 70 LYS HA 2 73 ARG HE 4.900 . 4.900 4.350 3.533 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1 3875 2 70 LYS HA 2 74 GLN H 4.530 . 4.530 4.159 3.517 4.540 0.010 31 0 "[ . 1 . 2 . 3 ]" 1 3876 2 70 LYS QB 2 70 LYS HD3 3.560 . 3.560 2.710 2.577 3.201 . 0 0 "[ . 1 . 2 . 3 ]" 1 3877 2 70 LYS QB 2 70 LYS QE 4.270 . 4.270 1.811 1.656 1.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 3878 2 70 LYS QB 2 71 PHE HA 4.720 . 4.720 3.686 3.565 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 3879 2 70 LYS QB 2 71 PHE QD 4.660 . 4.660 2.168 1.973 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 3880 2 70 LYS QB 2 71 PHE QE 5.500 . 5.500 3.265 2.978 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1 3881 2 70 LYS QE 2 70 LYS HG2 3.600 . 3.600 2.723 2.549 3.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 3882 2 70 LYS QE 2 70 LYS HG3 3.690 . 3.690 3.394 2.664 3.450 . 0 0 "[ . 1 . 2 . 3 ]" 1 3883 2 70 LYS HE2 2 70 LYS HG2 3.890 . 3.890 2.808 2.618 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 3884 2 70 LYS HE2 2 70 LYS HG3 4.220 . 4.220 3.583 2.737 3.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 3885 2 70 LYS HE3 2 70 LYS HG2 3.890 . 3.890 3.703 3.497 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1 3886 2 70 LYS HE3 2 70 LYS HG3 4.220 . 4.220 4.208 3.659 4.241 0.021 24 0 "[ . 1 . 2 . 3 ]" 1 3887 2 70 LYS HG2 2 71 PHE QD 5.500 . 5.500 4.898 4.328 5.111 . 0 0 "[ . 1 . 2 . 3 ]" 1 3888 2 70 LYS HG2 2 73 ARG HD2 5.500 . 5.500 3.917 3.654 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1 3889 2 70 LYS HG2 2 73 ARG HD3 5.500 . 5.500 5.173 3.536 5.643 0.143 26 0 "[ . 1 . 2 . 3 ]" 1 3890 2 70 LYS HG2 2 73 ARG HE 5.500 . 5.500 5.547 5.065 5.612 0.112 8 0 "[ . 1 . 2 . 3 ]" 1 3891 2 70 LYS HG3 2 71 PHE QD 5.500 . 5.500 4.029 2.683 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3892 2 70 LYS HG3 2 73 ARG HD2 5.500 . 5.500 5.096 4.473 5.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 3893 2 71 PHE HA 2 71 PHE QD 3.760 . 3.760 2.717 2.268 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 3894 2 71 PHE HA 2 71 PHE QE 4.630 . 4.630 4.548 4.427 4.662 0.032 20 0 "[ . 1 . 2 . 3 ]" 1 3895 2 71 PHE HA 2 74 GLN H 4.280 . 4.280 3.530 3.418 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 3896 2 71 PHE HA 2 74 GLN QB 3.510 . 3.510 2.550 2.374 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1 3897 2 71 PHE HA 2 74 GLN HG2 5.500 . 5.500 4.050 3.314 4.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 3898 2 71 PHE HA 2 74 GLN HG3 5.320 . 5.320 3.856 3.072 5.341 0.021 26 0 "[ . 1 . 2 . 3 ]" 1 3899 2 71 PHE HA 2 75 ALA H 4.570 . 4.570 3.961 3.753 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 3900 2 71 PHE QD 2 74 GLN H 5.500 . 5.500 5.388 5.086 5.576 0.076 30 0 "[ . 1 . 2 . 3 ]" 1 3901 2 71 PHE QD 2 74 GLN QB 5.320 . 5.320 4.622 4.044 4.938 . 0 0 "[ . 1 . 2 . 3 ]" 1 3902 2 71 PHE QD 2 75 ALA MB 5.500 . 5.500 5.562 5.488 5.633 0.133 10 0 "[ . 1 . 2 . 3 ]" 1 3903 2 72 LEU HA 2 72 LEU MD1 3.900 . 3.900 2.467 2.250 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 3904 2 72 LEU HA 2 72 LEU QD 3.380 . 3.380 1.919 1.836 1.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 3905 2 72 LEU HA 2 72 LEU MD2 3.900 . 3.900 2.020 1.859 2.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 3906 2 72 LEU HA 2 74 GLN H 5.220 . 5.220 4.391 4.142 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 3907 2 72 LEU HA 2 75 ALA H 4.120 . 4.120 3.585 3.435 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 3908 2 72 LEU HA 2 75 ALA MB 3.350 . 3.350 2.838 2.669 3.047 . 0 0 "[ . 1 . 2 . 3 ]" 1 3909 2 72 LEU HA 2 76 VAL H 5.460 . 5.460 4.072 3.963 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 3910 2 72 LEU HB2 2 73 ARG H 4.240 . 4.240 3.128 2.909 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 3911 2 72 LEU HB3 2 73 ARG H 4.240 . 4.240 2.344 2.094 2.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 3912 2 72 LEU HB3 2 73 ARG HD2 5.500 . 5.500 5.196 4.392 5.514 0.014 29 0 "[ . 1 . 2 . 3 ]" 1 3913 2 72 LEU HB3 2 74 GLN H 5.080 . 5.080 4.808 4.586 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1 3914 2 72 LEU QD 2 73 ARG H 4.260 . 4.260 3.556 2.769 3.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3915 2 72 LEU QD 2 75 ALA MB 3.700 . 3.700 2.997 2.527 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1 3916 2 72 LEU MD1 2 73 ARG H 5.500 . 5.500 3.765 2.814 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 3917 2 72 LEU MD1 2 75 ALA H 5.390 . 5.390 4.713 4.493 5.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 3918 2 72 LEU MD1 2 75 ALA MB 4.400 . 4.400 3.388 3.134 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 3919 2 72 LEU MD1 2 76 VAL H 5.500 . 5.500 3.731 3.416 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1 3920 2 72 LEU MD2 2 73 ARG H 5.500 . 5.500 4.422 3.980 4.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 3921 2 72 LEU MD2 2 75 ALA H 5.390 . 5.390 4.913 4.002 5.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 3922 2 72 LEU MD2 2 75 ALA MB 4.120 . 4.120 3.437 2.544 3.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 3923 2 72 LEU MD2 2 76 VAL H 5.500 . 5.500 4.911 3.234 5.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 3924 2 73 ARG H 2 73 ARG QB 3.800 . 3.800 2.553 2.362 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 3925 2 73 ARG H 2 73 ARG HD2 4.610 . 4.610 3.526 2.601 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 3926 2 73 ARG H 2 73 ARG HD3 5.500 . 5.500 4.446 4.148 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 3927 2 73 ARG H 2 73 ARG HE 5.500 . 5.500 4.306 2.988 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3928 2 73 ARG H 2 73 ARG HG2 3.640 . 3.640 3.308 2.848 3.559 . 0 0 "[ . 1 . 2 . 3 ]" 1 3929 2 73 ARG H 2 74 GLN H 3.790 . 3.790 2.761 2.676 2.804 . 0 0 "[ . 1 . 2 . 3 ]" 1 3930 2 73 ARG H 2 74 GLN QB 4.870 . 4.870 4.604 4.427 4.810 . 0 0 "[ . 1 . 2 . 3 ]" 1 3931 2 73 ARG H 2 75 ALA H 4.850 . 4.850 4.344 4.203 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1 3932 2 73 ARG HA 2 73 ARG HD2 5.500 . 5.500 4.699 4.553 4.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 3933 2 73 ARG HA 2 73 ARG HG2 4.200 . 4.200 2.809 2.677 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1 3934 2 73 ARG HA 2 73 ARG HG3 4.250 . 4.250 3.055 2.766 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1 3935 2 73 ARG HA 2 75 ALA H 5.500 . 5.500 4.637 4.514 4.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 3936 2 73 ARG HA 2 76 VAL H 4.350 . 4.350 3.646 3.433 3.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 3937 2 73 ARG HA 2 76 VAL HA 5.500 . 5.500 5.535 5.309 5.601 0.101 24 0 "[ . 1 . 2 . 3 ]" 1 3938 2 73 ARG HA 2 76 VAL HB 4.730 . 4.730 2.744 2.594 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 3939 2 73 ARG HA 2 77 ASN H 4.820 . 4.820 4.166 4.002 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1 3940 2 73 ARG QB 2 73 ARG HE 4.400 . 4.400 3.882 2.170 4.151 . 0 0 "[ . 1 . 2 . 3 ]" 1 3941 2 73 ARG QB 2 77 ASN HB3 5.500 . 5.500 4.650 4.374 5.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 3942 2 73 ARG HD2 2 74 GLN H 4.830 . 4.830 4.669 3.429 4.844 0.014 29 0 "[ . 1 . 2 . 3 ]" 1 3943 2 74 GLN H 2 74 GLN QB 2.980 . 2.980 2.241 2.036 2.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 3944 2 74 GLN H 2 74 GLN HE21 5.110 . 5.110 4.179 3.467 4.885 . 0 0 "[ . 1 . 2 . 3 ]" 1 3945 2 74 GLN H 2 74 GLN HG2 5.070 . 5.070 2.887 2.117 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 3946 2 74 GLN H 2 74 GLN HG3 4.500 . 4.500 3.904 3.507 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1 3947 2 74 GLN H 2 75 ALA H 3.510 . 3.510 2.669 2.512 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1 3948 2 74 GLN H 2 75 ALA HA 5.500 . 5.500 5.265 5.143 5.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 3949 2 74 GLN H 2 75 ALA MB 4.570 . 4.570 4.318 4.130 4.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 3950 2 74 GLN H 2 76 VAL H 4.630 . 4.630 4.147 3.914 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1 3951 2 74 GLN H 2 77 ASN H 5.310 . 5.310 4.800 4.710 4.933 . 0 0 "[ . 1 . 2 . 3 ]" 1 3952 2 74 GLN HA 2 74 GLN HE21 4.070 . 4.070 2.488 2.030 3.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 3953 2 74 GLN HA 2 74 GLN HE22 4.800 . 4.800 3.267 2.875 3.879 . 0 0 "[ . 1 . 2 . 3 ]" 1 3954 2 74 GLN HA 2 74 GLN HG2 4.050 . 4.050 2.859 2.430 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 3955 2 74 GLN HA 2 74 GLN HG3 3.840 . 3.840 3.591 2.667 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 3956 2 74 GLN HA 2 76 VAL H 4.850 . 4.850 4.513 4.285 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1 3957 2 74 GLN HA 2 77 ASN HB3 3.740 . 3.740 2.837 2.499 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 3958 2 74 GLN HA 2 77 ASN HD21 4.140 . 4.140 2.409 1.990 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 3959 2 74 GLN HA 2 77 ASN HD22 4.140 . 4.140 3.744 3.287 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 3960 2 74 GLN HA 2 78 ASN H 4.790 . 4.790 4.280 4.083 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1 3961 2 74 GLN QB 2 74 GLN HE21 3.990 . 3.990 2.675 1.657 3.582 . 0 0 "[ . 1 . 2 . 3 ]" 1 3962 2 74 GLN QB 2 75 ALA H 3.300 . 3.300 2.517 2.417 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 3963 2 74 GLN QB 2 75 ALA HA 5.350 . 5.350 3.826 3.669 4.144 . 0 0 "[ . 1 . 2 . 3 ]" 1 3964 2 74 GLN QB 2 75 ALA MB 4.550 . 4.550 3.794 3.696 3.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 3965 2 74 GLN QB 2 76 VAL H 5.440 . 5.440 4.694 4.589 4.818 . 0 0 "[ . 1 . 2 . 3 ]" 1 3966 2 74 GLN QB 2 77 ASN H 5.500 . 5.500 4.952 4.784 5.114 . 0 0 "[ . 1 . 2 . 3 ]" 1 3967 2 74 GLN QB 2 77 ASN HB3 5.500 . 5.500 4.779 4.418 4.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 3968 2 74 GLN QB 2 77 ASN HD22 4.600 . 4.600 4.360 3.897 4.714 0.114 25 0 "[ . 1 . 2 . 3 ]" 1 3969 2 74 GLN QB 2 78 ASN H 5.500 . 5.500 4.880 4.642 5.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 3970 2 74 GLN QB 2 78 ASN QB 5.500 . 5.500 4.505 4.079 5.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 3971 2 74 GLN HE21 2 74 GLN HG2 3.260 . 3.260 2.802 2.199 3.451 0.191 29 0 "[ . 1 . 2 . 3 ]" 1 3972 2 74 GLN HE21 2 75 ALA H 5.500 . 5.500 5.139 4.143 5.558 0.058 17 0 "[ . 1 . 2 . 3 ]" 1 3973 2 74 GLN HE21 2 77 ASN HB3 5.400 . 5.400 4.361 3.447 5.413 0.013 31 0 "[ . 1 . 2 . 3 ]" 1 3974 2 74 GLN HE21 2 77 ASN HD22 4.590 . 4.590 4.062 2.727 4.631 0.041 21 0 "[ . 1 . 2 . 3 ]" 1 3975 2 74 GLN HE22 2 74 GLN HG2 3.810 . 3.810 3.729 3.465 4.012 0.202 29 0 "[ . 1 . 2 . 3 ]" 1 3976 2 75 ALA H 2 75 ALA MB 2.990 . 2.990 2.220 2.129 2.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 3977 2 75 ALA H 2 76 VAL H 3.810 . 3.810 2.757 2.686 2.823 . 0 0 "[ . 1 . 2 . 3 ]" 1 3978 2 75 ALA H 2 76 VAL HA 5.420 . 5.420 5.358 5.314 5.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 3979 2 75 ALA H 2 76 VAL HB 5.500 . 5.500 4.763 4.662 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1 3980 2 75 ALA H 2 77 ASN H 5.370 . 5.370 4.288 4.156 4.407 . 0 0 "[ . 1 . 2 . 3 ]" 1 3981 2 75 ALA H 2 78 ASN QB 5.500 . 5.500 4.879 4.677 5.003 . 0 0 "[ . 1 . 2 . 3 ]" 1 3982 2 75 ALA HA 2 76 VAL HA 4.940 . 4.940 4.844 4.818 4.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 3983 2 75 ALA HA 2 77 ASN H 5.030 . 5.030 4.527 4.377 4.703 . 0 0 "[ . 1 . 2 . 3 ]" 1 3984 2 75 ALA HA 2 77 ASN HD22 5.500 . 5.500 5.594 5.529 5.634 0.134 18 0 "[ . 1 . 2 . 3 ]" 1 3985 2 75 ALA HA 2 78 ASN H 4.090 . 4.090 3.499 3.376 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 3986 2 75 ALA HA 2 78 ASN QB 3.610 . 3.610 2.793 2.522 3.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 3987 2 75 ALA HA 2 78 ASN HD21 4.320 . 4.320 2.811 2.102 3.398 . 0 0 "[ . 1 . 2 . 3 ]" 1 3988 2 75 ALA HA 2 78 ASN HD22 4.980 . 4.980 4.393 3.564 5.088 0.108 32 0 "[ . 1 . 2 . 3 ]" 1 3989 2 75 ALA MB 2 76 VAL H 3.460 . 3.460 2.452 2.373 2.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 3990 2 75 ALA MB 2 76 VAL HA 4.100 . 4.100 3.810 3.740 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 3991 2 75 ALA MB 2 77 ASN H 5.010 . 5.010 4.579 4.473 4.692 . 0 0 "[ . 1 . 2 . 3 ]" 1 3992 2 75 ALA MB 2 78 ASN H 5.180 . 5.180 4.612 4.544 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 3993 2 75 ALA MB 2 78 ASN QB 4.880 . 4.880 4.200 3.932 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 3994 2 75 ALA MB 2 79 PHE QB 5.500 . 5.500 3.894 3.755 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 3995 2 76 VAL H 2 76 VAL HB 3.460 . 3.460 2.384 2.317 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1 3996 2 76 VAL H 2 77 ASN H 3.580 . 3.580 2.774 2.706 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 3997 2 76 VAL HA 2 77 ASN HA 5.230 . 5.230 4.801 4.766 4.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 3998 2 76 VAL HA 2 78 ASN H 4.880 . 4.880 4.428 4.344 4.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 3999 2 76 VAL HA 2 78 ASN QB 5.500 . 5.500 5.408 5.092 5.588 0.088 2 0 "[ . 1 . 2 . 3 ]" 1 4000 2 76 VAL HA 2 79 PHE H 4.090 . 4.090 3.641 3.554 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 4001 2 76 VAL HA 2 79 PHE HA 5.500 . 5.500 5.481 5.381 5.546 0.046 32 0 "[ . 1 . 2 . 3 ]" 1 4002 2 76 VAL HA 2 79 PHE QB 3.810 . 3.810 2.556 2.444 2.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 4003 2 76 VAL HA 2 79 PHE QD 4.310 . 4.310 3.666 3.563 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 4004 2 76 VAL HA 2 79 PHE QE 5.500 . 5.500 5.594 5.520 5.643 0.143 1 0 "[ . 1 . 2 . 3 ]" 1 4005 2 76 VAL HA 2 80 LYS H 4.260 . 4.260 3.826 3.732 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 4006 2 76 VAL HA 2 80 LYS QE 5.340 . 5.340 4.580 3.671 5.348 0.008 12 0 "[ . 1 . 2 . 3 ]" 1 4007 2 76 VAL HA 2 80 LYS HG2 5.500 . 5.500 5.003 3.629 5.307 . 0 0 "[ . 1 . 2 . 3 ]" 1 4008 2 76 VAL HA 2 80 LYS HG3 5.500 . 5.500 3.838 3.612 4.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 4009 2 76 VAL HB 2 77 ASN H 3.990 . 3.990 2.526 2.405 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 4010 2 76 VAL HB 2 77 ASN HA 5.490 . 5.490 4.404 4.335 4.458 . 0 0 "[ . 1 . 2 . 3 ]" 1 4011 2 76 VAL HB 2 77 ASN HB3 5.500 . 5.500 4.168 4.067 4.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 4012 2 76 VAL HB 2 80 LYS HG3 5.500 . 5.500 4.944 4.829 5.046 . 0 0 "[ . 1 . 2 . 3 ]" 1 4013 2 77 ASN H 2 77 ASN HB3 3.060 . 3.060 2.055 2.027 2.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 4014 2 77 ASN H 2 77 ASN HD21 4.570 . 4.570 3.188 3.025 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 4015 2 77 ASN H 2 77 ASN HD22 4.800 . 4.800 4.737 4.596 4.827 0.027 14 0 "[ . 1 . 2 . 3 ]" 1 4016 2 77 ASN H 2 78 ASN H 3.340 . 3.340 2.732 2.671 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 4017 2 77 ASN H 2 78 ASN QB 5.290 . 5.290 4.468 4.386 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 4018 2 77 ASN H 2 79 PHE H 4.710 . 4.710 4.255 4.188 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1 4019 2 77 ASN H 2 80 LYS HG3 5.500 . 5.500 4.856 4.711 5.012 . 0 0 "[ . 1 . 2 . 3 ]" 1 4020 2 77 ASN HA 2 77 ASN HD22 5.290 . 5.290 5.037 4.999 5.087 . 0 0 "[ . 1 . 2 . 3 ]" 1 4021 2 77 ASN HA 2 80 LYS H 4.030 . 4.030 3.865 3.719 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1 4022 2 77 ASN HA 2 80 LYS HB2 3.700 . 3.700 3.054 2.810 3.304 . 0 0 "[ . 1 . 2 . 3 ]" 1 4023 2 77 ASN HA 2 80 LYS HD2 5.420 . 5.420 3.685 2.860 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 4024 2 77 ASN HA 2 80 LYS HD3 5.500 . 5.500 5.144 4.407 5.647 0.147 7 0 "[ . 1 . 2 . 3 ]" 1 4025 2 77 ASN HA 2 80 LYS HG3 4.220 . 4.220 3.594 2.922 3.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 4026 2 77 ASN HB2 2 80 LYS HB2 5.500 . 5.500 5.105 4.867 5.356 . 0 0 "[ . 1 . 2 . 3 ]" 1 4027 2 77 ASN HB3 2 77 ASN HD22 3.660 . 3.660 3.495 3.481 3.511 . 0 0 "[ . 1 . 2 . 3 ]" 1 4028 2 77 ASN HB3 2 78 ASN H 3.660 . 3.660 3.281 3.166 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 4029 2 78 ASN H 2 78 ASN QB 2.890 . 2.890 2.096 2.012 2.311 . 0 0 "[ . 1 . 2 . 3 ]" 1 4030 2 78 ASN H 2 78 ASN HD21 4.500 . 4.500 3.684 3.320 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 4031 2 78 ASN H 2 78 ASN HD22 4.730 . 4.730 4.810 4.416 4.990 0.260 13 0 "[ . 1 . 2 . 3 ]" 1 4032 2 78 ASN H 2 79 PHE H 3.520 . 3.520 2.533 2.433 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1 4033 2 78 ASN H 2 79 PHE QB 4.610 . 4.610 4.198 4.115 4.308 . 0 0 "[ . 1 . 2 . 3 ]" 1 4034 2 78 ASN HA 2 80 LYS H 5.170 . 5.170 4.622 4.475 4.776 . 0 0 "[ . 1 . 2 . 3 ]" 1 4035 2 78 ASN HA 2 81 ASN H 3.860 . 3.860 3.537 3.403 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1 4036 2 78 ASN HA 2 81 ASN HD21 4.200 . 4.200 3.326 3.102 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 4037 2 78 ASN HA 2 82 GLU QG 5.390 . 5.390 3.949 3.657 4.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 4038 2 78 ASN QB 2 78 ASN HD22 3.610 . 3.610 3.217 3.177 3.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 4039 2 78 ASN QB 2 79 PHE H 3.540 . 3.540 2.762 2.441 3.067 . 0 0 "[ . 1 . 2 . 3 ]" 1 4040 2 78 ASN QB 2 79 PHE HA 4.980 . 4.980 4.216 3.662 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 4041 2 79 PHE H 2 79 PHE QB 3.470 . 3.470 2.199 2.185 2.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 4042 2 79 PHE H 2 79 PHE QD 4.130 . 4.130 4.112 4.083 4.148 0.018 14 0 "[ . 1 . 2 . 3 ]" 1 4043 2 79 PHE H 2 80 LYS H 4.020 . 4.020 2.838 2.745 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 4044 2 79 PHE H 2 81 ASN H 4.470 . 4.470 4.120 4.014 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 4045 2 79 PHE H 2 81 ASN QB 5.470 . 5.470 5.039 4.753 5.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 4046 2 79 PHE H 2 81 ASN HD21 5.500 . 5.500 5.468 5.292 5.540 0.040 16 0 "[ . 1 . 2 . 3 ]" 1 4047 2 79 PHE H 2 82 GLU QG 4.860 . 4.860 4.583 4.245 4.944 0.084 3 0 "[ . 1 . 2 . 3 ]" 1 4048 2 79 PHE HA 2 79 PHE QD 3.510 . 3.510 2.984 2.873 3.063 . 0 0 "[ . 1 . 2 . 3 ]" 1 4049 2 79 PHE HA 2 81 ASN H 5.200 . 5.200 4.159 3.969 4.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 4050 2 79 PHE HA 2 82 GLU H 3.980 . 3.980 3.359 3.122 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1 4051 2 79 PHE HA 2 82 GLU QB 3.960 . 3.960 2.603 2.112 3.062 . 0 0 "[ . 1 . 2 . 3 ]" 1 4052 2 79 PHE HA 2 82 GLU QG 3.800 . 3.800 3.240 2.790 3.662 . 0 0 "[ . 1 . 2 . 3 ]" 1 4053 2 79 PHE HA 2 83 THR H 5.220 . 5.220 3.863 3.535 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 4054 2 79 PHE HA 2 83 THR MG 4.660 . 4.660 3.950 3.727 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 4055 2 79 PHE QB 2 80 LYS H 3.880 . 3.880 2.502 2.389 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1 4056 2 79 PHE QB 2 80 LYS HG2 5.500 . 5.500 4.490 3.424 4.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 4057 2 79 PHE QB 2 83 THR MG 4.910 . 4.910 4.495 4.085 4.814 . 0 0 "[ . 1 . 2 . 3 ]" 1 4058 2 79 PHE QD 2 80 LYS H 3.910 . 3.910 2.776 2.679 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1 4059 2 79 PHE QD 2 80 LYS HA 3.950 . 3.950 3.073 2.858 3.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 4060 2 79 PHE QD 2 80 LYS HB2 5.150 . 5.150 4.481 4.363 4.723 . 0 0 "[ . 1 . 2 . 3 ]" 1 4061 2 79 PHE QD 2 80 LYS QE 4.450 . 4.450 4.150 1.715 4.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 4062 2 79 PHE QD 2 80 LYS HG2 3.770 . 3.770 2.925 2.595 3.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 4063 2 79 PHE QD 2 80 LYS HG3 4.290 . 4.290 3.135 2.740 4.382 0.092 31 0 "[ . 1 . 2 . 3 ]" 1 4064 2 79 PHE QD 2 81 ASN H 5.380 . 5.380 5.061 4.918 5.186 . 0 0 "[ . 1 . 2 . 3 ]" 1 4065 2 79 PHE QD 2 82 GLU H 5.500 . 5.500 5.303 4.940 5.563 0.063 29 0 "[ . 1 . 2 . 3 ]" 1 4066 2 79 PHE QD 2 82 GLU QG 5.500 . 5.500 5.152 4.621 5.527 0.027 27 0 "[ . 1 . 2 . 3 ]" 1 4067 2 79 PHE QD 2 83 THR MG 4.230 . 4.230 3.344 2.966 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1 4068 2 79 PHE QE 2 80 LYS H 4.860 . 4.860 4.901 4.790 4.939 0.079 3 0 "[ . 1 . 2 . 3 ]" 1 4069 2 79 PHE QE 2 80 LYS HA 4.170 . 4.170 3.956 3.829 4.074 . 0 0 "[ . 1 . 2 . 3 ]" 1 4070 2 79 PHE QE 2 80 LYS QE 5.100 . 5.100 4.768 2.348 5.135 0.035 5 0 "[ . 1 . 2 . 3 ]" 1 4071 2 79 PHE QE 2 80 LYS HG2 4.520 . 4.520 3.874 3.618 4.573 0.053 31 0 "[ . 1 . 2 . 3 ]" 1 4072 2 79 PHE QE 2 83 THR MG 3.570 . 3.570 2.743 2.238 3.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 4073 2 79 PHE QE 2 85 TYR H 5.260 . 5.260 5.100 4.808 5.316 0.056 31 0 "[ . 1 . 2 . 3 ]" 1 4074 2 79 PHE QE 2 85 TYR HB2 3.700 . 3.700 3.026 2.767 3.405 . 0 0 "[ . 1 . 2 . 3 ]" 1 4075 2 79 PHE QE 2 85 TYR HB3 5.270 . 5.270 3.588 3.049 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 4076 2 79 PHE QE 2 85 TYR QE 4.860 . 4.860 4.605 3.889 4.891 0.031 5 0 "[ . 1 . 2 . 3 ]" 1 4077 2 79 PHE HZ 2 83 THR MG 4.420 . 4.420 3.224 2.799 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1 4078 2 79 PHE HZ 2 85 TYR HB2 5.500 . 5.500 4.239 3.771 4.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 4079 2 80 LYS H 2 80 LYS HB2 3.600 . 3.600 2.450 2.360 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 4080 2 80 LYS H 2 80 LYS HD2 4.910 . 4.910 4.405 4.105 4.765 . 0 0 "[ . 1 . 2 . 3 ]" 1 4081 2 80 LYS H 2 80 LYS HD3 4.900 . 4.900 4.850 4.279 4.973 0.073 16 0 "[ . 1 . 2 . 3 ]" 1 4082 2 80 LYS H 2 80 LYS QE 4.920 . 4.920 4.558 2.961 4.938 0.018 12 0 "[ . 1 . 2 . 3 ]" 1 4083 2 80 LYS H 2 80 LYS HG2 3.840 . 3.840 3.202 1.850 3.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 4084 2 80 LYS H 2 80 LYS HG3 4.010 . 4.010 2.501 2.252 3.216 . 0 0 "[ . 1 . 2 . 3 ]" 1 4085 2 80 LYS H 2 81 ASN H 3.720 . 3.720 2.785 2.728 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1 4086 2 80 LYS H 2 81 ASN QB 4.960 . 4.960 4.647 4.492 4.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 4087 2 80 LYS H 2 82 GLU H 4.400 . 4.400 4.226 3.985 4.409 0.009 3 0 "[ . 1 . 2 . 3 ]" 1 4088 2 80 LYS H 2 82 GLU QB 5.500 . 5.500 5.147 4.705 5.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 4089 2 80 LYS H 2 85 TYR QD 5.500 . 5.500 5.581 5.412 5.829 0.329 31 0 "[ . 1 . 2 . 3 ]" 1 4090 2 80 LYS HA 2 80 LYS HD2 4.830 . 4.830 4.543 4.121 4.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 4091 2 80 LYS HA 2 80 LYS HD3 4.830 . 4.830 3.984 2.954 4.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 4092 2 80 LYS HA 2 80 LYS QE 5.340 . 5.340 4.443 1.974 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 4093 2 80 LYS HA 2 80 LYS HG2 3.790 . 3.790 2.409 2.259 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1 4094 2 80 LYS HA 2 80 LYS HG3 3.880 . 3.880 3.261 2.995 3.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 4095 2 80 LYS HA 2 83 THR H 4.770 . 4.770 4.015 3.682 4.235 . 0 0 "[ . 1 . 2 . 3 ]" 1 4096 2 80 LYS HA 2 83 THR MG 5.500 . 5.500 4.227 2.463 5.318 . 0 0 "[ . 1 . 2 . 3 ]" 1 4097 2 80 LYS HA 2 84 GLY H 5.390 . 5.390 3.871 3.329 4.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 4098 2 80 LYS HA 2 85 TYR H 5.270 . 5.270 2.632 2.232 2.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 4099 2 80 LYS HA 2 85 TYR HA 4.830 . 4.830 4.642 4.415 4.909 0.079 21 0 "[ . 1 . 2 . 3 ]" 1 4100 2 80 LYS HA 2 85 TYR HB2 4.820 . 4.820 3.178 2.439 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 4101 2 80 LYS HA 2 85 TYR HB3 4.290 . 4.290 2.062 1.930 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1 4102 2 80 LYS HA 2 85 TYR QD 4.410 . 4.410 3.811 3.538 4.126 . 0 0 "[ . 1 . 2 . 3 ]" 1 4103 2 80 LYS HB2 2 80 LYS QE 4.920 . 4.920 4.048 3.791 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 4104 2 80 LYS HB2 2 81 ASN H 3.670 . 3.670 2.827 2.541 3.036 . 0 0 "[ . 1 . 2 . 3 ]" 1 4105 2 80 LYS HB2 2 81 ASN HA 5.500 . 5.500 4.460 4.212 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 4106 2 80 LYS HB2 2 81 ASN QB 4.540 . 4.540 4.407 4.289 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1 4107 2 80 LYS HB2 2 81 ASN HD21 4.890 . 4.890 3.505 3.178 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 4108 2 80 LYS HB2 2 85 TYR HB3 5.500 . 5.500 4.381 3.710 4.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 4109 2 80 LYS HD2 2 85 TYR QD 4.660 . 4.660 4.010 3.085 4.666 0.006 28 0 "[ . 1 . 2 . 3 ]" 1 4110 2 80 LYS HD3 2 85 TYR QD 4.410 . 4.410 2.445 1.737 3.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 4111 2 80 LYS HD3 2 86 THR H 4.800 . 4.800 4.500 3.790 5.033 0.233 22 0 "[ . 1 . 2 . 3 ]" 1 4112 2 80 LYS QE 2 80 LYS HG2 3.000 . 3.000 2.423 1.984 2.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 4113 2 80 LYS QE 2 80 LYS HG3 3.430 . 3.430 2.440 2.128 3.098 . 0 0 "[ . 1 . 2 . 3 ]" 1 4114 2 80 LYS QE 2 85 TYR HB3 4.570 . 4.570 4.103 2.127 4.545 . 0 0 "[ . 1 . 2 . 3 ]" 1 4115 2 80 LYS QE 2 85 TYR QD 4.730 . 4.730 2.757 2.077 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 4116 2 80 LYS QE 2 85 TYR QE 5.330 . 5.330 2.715 2.259 4.412 . 0 0 "[ . 1 . 2 . 3 ]" 1 4117 2 80 LYS HG2 2 81 ASN H 5.210 . 5.210 4.966 4.169 5.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 4118 2 80 LYS HG2 2 85 TYR HB2 4.940 . 4.940 3.928 3.285 5.013 0.073 31 0 "[ . 1 . 2 . 3 ]" 1 4119 2 80 LYS HG2 2 85 TYR HB3 5.500 . 5.500 2.563 2.235 3.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 4120 2 80 LYS HG2 2 85 TYR QD 4.580 . 4.580 2.747 2.265 4.724 0.144 31 0 "[ . 1 . 2 . 3 ]" 1 4121 2 80 LYS HG3 2 81 ASN H 5.030 . 5.030 4.576 4.453 4.749 . 0 0 "[ . 1 . 2 . 3 ]" 1 4122 2 80 LYS HG3 2 85 TYR HB3 5.500 . 5.500 4.111 3.795 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 4123 2 81 ASN H 2 81 ASN QB 2.990 . 2.990 2.205 2.114 2.299 . 0 0 "[ . 1 . 2 . 3 ]" 1 4124 2 81 ASN H 2 81 ASN HD21 4.290 . 4.290 2.766 2.449 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 1 4125 2 81 ASN H 2 81 ASN HD22 4.610 . 4.610 4.221 3.833 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 4126 2 81 ASN H 2 82 GLU QG 5.420 . 5.420 4.243 3.967 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 4127 2 81 ASN HA 2 81 ASN HD21 4.880 . 4.880 3.680 3.468 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1 4128 2 81 ASN HA 2 81 ASN HD22 5.210 . 5.210 4.103 3.963 4.221 . 0 0 "[ . 1 . 2 . 3 ]" 1 4129 2 81 ASN HA 2 84 GLY H 4.240 . 4.240 3.588 3.321 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 4130 2 81 ASN QB 2 81 ASN HD21 3.080 . 3.080 2.188 2.146 2.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 4131 2 81 ASN QB 2 81 ASN HD22 3.440 . 3.440 3.281 3.264 3.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 4132 2 81 ASN QB 2 82 GLU H 3.320 . 3.320 2.837 2.613 3.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 4133 2 81 ASN QB 2 82 GLU HA 4.300 . 4.300 3.873 3.698 4.043 . 0 0 "[ . 1 . 2 . 3 ]" 1 4134 2 81 ASN QB 2 82 GLU QB 4.880 . 4.880 4.471 4.306 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 4135 2 81 ASN QB 2 82 GLU QG 4.520 . 4.520 3.572 3.395 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 4136 2 81 ASN QB 2 83 THR H 5.450 . 5.450 4.977 4.732 5.310 . 0 0 "[ . 1 . 2 . 3 ]" 1 4137 2 81 ASN QB 2 84 GLY HA2 5.500 . 5.500 5.431 5.142 5.554 0.054 29 0 "[ . 1 . 2 . 3 ]" 1 4138 2 81 ASN HD21 2 82 GLU H 5.500 . 5.500 4.726 4.575 4.925 . 0 0 "[ . 1 . 2 . 3 ]" 1 4139 2 82 GLU H 2 82 GLU HB2 4.200 . 4.200 2.363 2.117 2.525 . 0 0 "[ . 1 . 2 . 3 ]" 1 4140 2 82 GLU H 2 82 GLU QB 3.140 . 3.140 2.331 2.096 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1 4141 2 82 GLU H 2 82 GLU HB3 4.200 . 4.200 3.569 3.381 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 4142 2 82 GLU H 2 82 GLU QG 3.250 . 3.250 2.535 2.218 3.264 0.014 13 0 "[ . 1 . 2 . 3 ]" 1 4143 2 82 GLU H 2 83 THR H 3.720 . 3.720 2.655 2.272 2.867 . 0 0 "[ . 1 . 2 . 3 ]" 1 4144 2 82 GLU H 2 83 THR MG 4.430 . 4.430 4.329 3.654 4.506 0.076 28 0 "[ . 1 . 2 . 3 ]" 1 4145 2 82 GLU HA 2 82 GLU QG 3.230 . 3.230 2.790 2.190 3.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 4146 2 82 GLU HA 2 83 THR H 3.560 . 3.560 3.555 3.494 3.584 0.024 29 0 "[ . 1 . 2 . 3 ]" 1 4147 2 82 GLU QB 2 83 THR H 3.660 . 3.660 2.474 2.262 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 4148 2 82 GLU QB 2 83 THR HA 4.420 . 4.420 3.901 3.760 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1 4149 2 82 GLU QB 2 83 THR MG 3.740 . 3.740 3.140 2.663 3.812 0.072 14 0 "[ . 1 . 2 . 3 ]" 1 4150 2 82 GLU QB 2 84 GLY H 5.100 . 5.100 4.332 4.143 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 4151 2 82 GLU HB2 2 83 THR HA 5.500 . 5.500 4.558 4.286 4.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 4152 2 82 GLU HB3 2 83 THR HA 5.500 . 5.500 4.255 3.949 4.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 4153 2 82 GLU QG 2 83 THR H 4.460 . 4.460 4.127 3.915 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1 4154 2 82 GLU QG 2 83 THR MG 5.200 . 5.200 4.735 4.393 5.243 0.043 12 0 "[ . 1 . 2 . 3 ]" 1 4155 2 83 THR H 2 83 THR HB 4.200 . 4.200 3.314 2.543 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 4156 2 83 THR H 2 83 THR MG 3.260 . 3.260 2.394 1.867 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 4157 2 83 THR H 2 84 GLY H 3.560 . 3.560 2.330 2.132 2.443 . 0 0 "[ . 1 . 2 . 3 ]" 1 4158 2 83 THR H 2 84 GLY HA2 4.820 . 4.820 4.628 4.451 4.766 . 0 0 "[ . 1 . 2 . 3 ]" 1 4159 2 83 THR H 2 84 GLY HA3 5.230 . 5.230 5.006 4.857 5.109 . 0 0 "[ . 1 . 2 . 3 ]" 1 4160 2 83 THR HA 2 83 THR MG 3.340 . 3.340 2.613 2.244 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 4161 2 83 THR HB 2 84 GLY H 4.720 . 4.720 4.091 3.752 4.361 . 0 0 "[ . 1 . 2 . 3 ]" 1 4162 2 83 THR MG 2 84 GLY H 4.200 . 4.200 3.649 2.483 4.246 0.046 31 0 "[ . 1 . 2 . 3 ]" 1 4163 2 84 GLY H 2 85 TYR H 3.860 . 3.860 2.487 2.047 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1 4164 2 84 GLY HA2 2 85 TYR HB3 5.340 . 5.340 4.977 4.771 5.344 0.004 31 0 "[ . 1 . 2 . 3 ]" 1 4165 2 85 TYR H 2 85 TYR HB2 4.110 . 4.110 2.757 2.341 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1 4166 2 85 TYR H 2 85 TYR HB3 3.910 . 3.910 2.365 2.224 2.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 4167 2 85 TYR H 2 85 TYR QD 4.320 . 4.320 4.103 3.988 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 4168 2 85 TYR H 2 86 THR H 5.170 . 5.170 3.591 2.509 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 4169 2 85 TYR HA 2 85 TYR QD 3.470 . 3.470 3.113 2.515 3.242 . 0 0 "[ . 1 . 2 . 3 ]" 1 4170 2 85 TYR HA 2 85 TYR QE 5.140 . 5.140 4.846 4.520 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1 4171 2 85 TYR HA 2 86 THR H 3.030 . 3.030 2.815 2.061 3.467 0.437 4 0 "[ . 1 . 2 . 3 ]" 1 4172 2 85 TYR HB2 2 86 THR H 4.530 . 4.530 3.909 3.681 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 4173 2 85 TYR HB3 2 86 THR H 4.330 . 4.330 3.256 2.242 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 4174 2 85 TYR HB3 2 86 THR MG 5.040 . 5.040 4.735 3.073 5.101 0.061 26 0 "[ . 1 . 2 . 3 ]" 1 4175 2 85 TYR QD 2 86 THR H 3.770 . 3.770 2.915 2.571 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 4176 2 85 TYR QD 2 86 THR HA 5.020 . 5.020 3.016 2.704 4.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 4177 2 85 TYR QD 2 86 THR HB 5.270 . 5.270 4.801 2.069 5.394 0.124 18 0 "[ . 1 . 2 . 3 ]" 1 4178 2 85 TYR QD 2 86 THR MG 3.830 . 3.830 3.227 1.918 3.917 0.087 26 0 "[ . 1 . 2 . 3 ]" 1 4179 2 85 TYR QD 2 87 LYS H 5.500 . 5.500 5.082 4.565 5.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 4180 2 85 TYR QE 2 86 THR H 4.660 . 4.660 4.432 3.519 4.886 0.226 28 0 "[ . 1 . 2 . 3 ]" 1 4181 2 85 TYR QE 2 86 THR HA 5.500 . 5.500 3.661 3.148 5.470 . 0 0 "[ . 1 . 2 . 3 ]" 1 4182 2 85 TYR QE 2 86 THR MG 4.200 . 4.200 3.820 2.850 4.465 0.265 16 0 "[ . 1 . 2 . 3 ]" 1 4183 2 85 TYR QE 2 87 LYS H 5.500 . 5.500 5.132 4.010 5.681 0.181 25 0 "[ . 1 . 2 . 3 ]" 1 4184 2 86 THR H 2 86 THR HB 4.060 . 4.060 3.438 2.991 3.871 . 0 0 "[ . 1 . 2 . 3 ]" 1 4185 2 86 THR H 2 86 THR MG 3.910 . 3.910 3.564 2.365 3.938 0.028 22 0 "[ . 1 . 2 . 3 ]" 1 4186 2 86 THR H 2 87 LYS H 4.700 . 4.700 4.454 4.244 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1 4187 2 86 THR H 2 87 LYS HA 5.290 . 5.290 5.053 4.426 5.507 0.217 31 0 "[ . 1 . 2 . 3 ]" 1 4188 2 86 THR HA 2 86 THR MG 3.170 . 3.170 2.178 1.862 3.238 0.068 31 0 "[ . 1 . 2 . 3 ]" 1 4189 2 86 THR HA 2 87 LYS HB3 4.710 . 4.710 4.339 4.104 4.767 0.057 19 0 "[ . 1 . 2 . 3 ]" 1 4190 2 86 THR HA 2 87 LYS QE 5.060 . 5.060 4.451 3.407 5.114 0.054 16 0 "[ . 1 . 2 . 3 ]" 1 4191 2 86 THR HB 2 87 LYS H 4.030 . 4.030 2.918 1.742 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 4192 2 86 THR HB 2 87 LYS HB3 5.500 . 5.500 5.428 4.401 5.676 0.176 10 0 "[ . 1 . 2 . 3 ]" 1 4193 2 86 THR MG 2 87 LYS H 3.790 . 3.790 2.639 1.715 3.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 4194 2 86 THR MG 2 87 LYS QE 4.760 . 4.760 4.616 3.542 4.866 0.106 4 0 "[ . 1 . 2 . 3 ]" 1 4195 2 87 LYS H 2 87 LYS HB2 4.100 . 4.100 3.806 3.653 3.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 4196 2 87 LYS H 2 87 LYS HB3 3.930 . 3.930 3.072 2.591 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 4197 2 87 LYS H 2 87 LYS QE 4.470 . 4.470 3.774 2.892 4.495 0.025 18 0 "[ . 1 . 2 . 3 ]" 1 4198 2 87 LYS H 2 87 LYS QG 3.860 . 3.860 2.837 1.848 3.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 4199 2 87 LYS H 2 88 ARG H 4.840 . 4.840 4.443 4.325 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 4200 2 87 LYS H 2 89 LEU H 5.500 . 5.500 5.040 4.441 5.592 0.092 26 0 "[ . 1 . 2 . 3 ]" 1 4201 2 87 LYS HA 2 87 LYS QG 3.510 . 3.510 3.415 3.295 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1 4202 2 87 LYS HA 2 88 ARG H 3.060 . 3.060 2.401 2.254 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 4203 2 87 LYS HB2 2 87 LYS QE 4.730 . 4.730 4.039 3.093 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 4204 2 87 LYS HB2 2 87 LYS QG 2.700 . 2.700 2.190 2.131 2.482 . 0 0 "[ . 1 . 2 . 3 ]" 1 4205 2 87 LYS HB2 2 88 ARG H 4.400 . 4.400 2.494 2.084 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 4206 2 87 LYS HB2 2 89 LEU QD 5.430 . 5.430 3.485 2.043 4.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 4207 2 87 LYS HB3 2 87 LYS QE 4.380 . 4.380 3.350 1.905 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 4208 2 87 LYS HB3 2 88 ARG H 4.300 . 4.300 3.797 3.279 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1 4209 2 87 LYS HB3 2 89 LEU QD 4.890 . 4.890 4.374 3.325 4.929 0.039 18 0 "[ . 1 . 2 . 3 ]" 1 4210 2 87 LYS HD2 2 88 ARG H 5.500 . 5.500 5.258 3.529 5.618 0.118 6 0 "[ . 1 . 2 . 3 ]" 1 4211 2 87 LYS HD3 2 88 ARG H 5.500 . 5.500 5.190 4.601 5.555 0.055 17 0 "[ . 1 . 2 . 3 ]" 1 4212 2 87 LYS QE 2 87 LYS QG 3.240 . 3.240 2.320 2.083 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 4213 2 87 LYS QE 2 89 LEU QD 4.910 . 4.910 4.146 2.468 4.941 0.031 14 0 "[ . 1 . 2 . 3 ]" 1 4214 2 87 LYS QG 2 88 ARG H 4.320 . 4.320 3.423 2.767 4.338 0.018 16 0 "[ . 1 . 2 . 3 ]" 1 4215 2 87 LYS QG 2 88 ARG HA 4.860 . 4.860 4.199 3.566 4.924 0.064 7 0 "[ . 1 . 2 . 3 ]" 1 4216 2 87 LYS QG 2 89 LEU QD 4.410 . 4.410 2.828 2.074 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 4217 2 88 ARG H 2 88 ARG QB 3.550 . 3.550 2.547 2.134 3.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 4218 2 88 ARG H 2 88 ARG QD 4.860 . 4.860 2.736 1.637 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 4219 2 88 ARG H 2 88 ARG QG 4.130 . 4.130 3.152 2.055 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1 4220 2 88 ARG H 2 89 LEU H 4.660 . 4.660 3.127 2.193 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1 4221 2 88 ARG HA 2 88 ARG QB 2.610 . 2.610 2.268 2.150 2.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 4222 2 88 ARG HA 2 88 ARG QD 3.680 . 3.680 3.197 1.961 3.783 0.103 14 0 "[ . 1 . 2 . 3 ]" 1 4223 2 88 ARG HA 2 88 ARG HE 5.500 . 5.500 4.885 2.885 5.650 0.150 6 0 "[ . 1 . 2 . 3 ]" 1 4224 2 88 ARG HA 2 88 ARG QG 3.570 . 3.570 3.084 2.386 3.440 . 0 0 "[ . 1 . 2 . 3 ]" 1 4225 2 88 ARG HA 2 89 LEU H 3.360 . 3.360 2.806 2.103 3.522 0.162 26 0 "[ . 1 . 2 . 3 ]" 1 4226 2 88 ARG QB 2 88 ARG QD 3.490 . 3.490 2.389 2.018 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1 4227 2 88 ARG QB 2 88 ARG HE 4.920 . 4.920 3.316 1.833 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1 4228 2 88 ARG QB 2 89 LEU H 4.460 . 4.460 3.771 2.459 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 4229 2 88 ARG HB2 2 88 ARG QG 2.760 . 2.760 2.256 2.132 2.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 4230 2 88 ARG HB3 2 88 ARG QG 2.760 . 2.760 2.314 2.130 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1 4231 2 88 ARG QD 2 89 LEU H 5.460 . 5.460 3.596 2.185 5.362 . 0 0 "[ . 1 . 2 . 3 ]" 1 4232 2 88 ARG QD 2 89 LEU QD 5.440 . 5.440 4.162 2.292 5.500 0.060 25 0 "[ . 1 . 2 . 3 ]" 1 4233 2 88 ARG HE 2 88 ARG QG 3.610 . 3.610 2.356 2.106 3.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 4234 2 89 LEU H 2 89 LEU HB2 4.050 . 4.050 2.395 2.172 3.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 4235 2 89 LEU H 2 89 LEU QB 3.180 . 3.180 2.342 2.150 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 1 4236 2 89 LEU H 2 89 LEU HB3 4.050 . 4.050 3.524 3.199 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 4237 2 89 LEU H 2 89 LEU MD1 4.260 . 4.260 3.733 1.742 4.304 0.044 32 0 "[ . 1 . 2 . 3 ]" 1 4238 2 89 LEU H 2 89 LEU QD 3.460 . 3.460 2.876 1.580 3.452 . 0 0 "[ . 1 . 2 . 3 ]" 1 4239 2 89 LEU H 2 89 LEU MD2 4.260 . 4.260 3.069 1.808 4.054 . 0 0 "[ . 1 . 2 . 3 ]" 1 4240 2 89 LEU H 2 89 LEU HG 4.650 . 4.650 3.344 2.004 4.629 . 0 0 "[ . 1 . 2 . 3 ]" 1 4241 2 89 LEU HA 2 89 LEU MD1 4.170 . 4.170 3.005 1.880 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 4242 2 89 LEU HA 2 89 LEU QD 3.420 . 3.420 2.011 1.837 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1 4243 2 89 LEU HA 2 89 LEU MD2 4.170 . 4.170 2.326 1.950 3.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 4244 2 89 LEU HA 2 90 ARG H 2.660 . 2.660 2.364 2.149 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 4245 2 89 LEU HA 2 90 ARG QD 5.150 . 5.150 3.500 2.682 4.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 4246 2 89 LEU QB 2 89 LEU QD 2.630 . 2.630 1.991 1.895 2.062 . 0 0 "[ . 1 . 2 . 3 ]" 1 4247 2 89 LEU QB 2 90 ARG H 3.370 . 3.370 2.555 2.005 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 4248 2 89 LEU QB 2 90 ARG QD 5.340 . 5.340 4.528 3.473 5.224 . 0 0 "[ . 1 . 2 . 3 ]" 1 4249 2 89 LEU HB2 2 90 ARG H 4.070 . 4.070 3.773 2.023 4.135 0.065 22 0 "[ . 1 . 2 . 3 ]" 1 4250 2 89 LEU HB3 2 90 ARG H 4.070 . 4.070 2.639 2.040 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 4251 2 89 LEU QD 2 90 ARG H 3.690 . 3.690 2.956 1.961 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 4252 2 89 LEU QD 2 90 ARG QD 4.870 . 4.870 4.192 2.867 4.956 0.086 21 0 "[ . 1 . 2 . 3 ]" 1 4253 2 89 LEU MD1 2 90 ARG H 4.660 . 4.660 3.716 1.967 4.732 0.072 3 0 "[ . 1 . 2 . 3 ]" 1 4254 2 89 LEU MD2 2 90 ARG H 4.660 . 4.660 3.750 2.684 4.675 0.015 31 0 "[ . 1 . 2 . 3 ]" 1 4255 2 90 ARG H 2 90 ARG HB2 4.010 . 4.010 2.995 2.260 4.019 0.009 29 0 "[ . 1 . 2 . 3 ]" 1 4256 2 90 ARG H 2 90 ARG QB 3.230 . 3.230 2.722 2.235 3.250 0.020 29 0 "[ . 1 . 2 . 3 ]" 1 4257 2 90 ARG H 2 90 ARG HB3 4.010 . 4.010 3.531 2.852 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1 4258 2 90 ARG H 2 90 ARG QD 4.680 . 4.680 2.819 1.678 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 4259 2 90 ARG H 2 90 ARG QG 3.530 . 3.530 2.541 1.979 3.553 0.023 32 0 "[ . 1 . 2 . 3 ]" 1 4260 2 90 ARG H 2 92 GLN H 4.720 . 4.720 4.312 3.660 4.840 0.120 31 0 "[ . 1 . 2 . 3 ]" 1 4261 2 90 ARG HA 2 90 ARG QD 3.790 . 3.790 2.848 1.915 3.898 0.108 7 0 "[ . 1 . 2 . 3 ]" 1 4262 2 90 ARG HA 2 90 ARG HE 5.500 . 5.500 4.578 2.878 5.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 4263 2 90 ARG HA 2 90 ARG QG 3.500 . 3.500 3.088 2.093 3.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 4264 2 90 ARG HA 2 91 LYS H 3.180 . 3.180 2.539 2.223 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 4265 2 90 ARG HA 2 92 GLN QG 5.500 . 5.500 4.926 4.121 5.539 0.039 5 0 "[ . 1 . 2 . 3 ]" 1 4266 2 90 ARG QB 2 90 ARG QD 3.350 . 3.350 2.438 2.085 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 4267 2 90 ARG QB 2 90 ARG HE 4.450 . 4.450 3.123 1.825 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 4268 2 90 ARG QB 2 91 LYS H 3.060 . 3.060 2.234 1.800 2.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 4269 2 90 ARG QB 2 92 GLN H 4.020 . 4.020 2.800 2.137 4.060 0.040 29 0 "[ . 1 . 2 . 3 ]" 1 4270 2 90 ARG HB3 2 91 LYS H 3.810 . 3.810 2.699 1.808 3.833 0.023 31 0 "[ . 1 . 2 . 3 ]" 1 4271 2 90 ARG QD 2 91 LYS H 4.950 . 4.950 4.399 3.232 5.052 0.102 20 0 "[ . 1 . 2 . 3 ]" 1 4272 2 90 ARG QG 2 91 LYS H 4.910 . 4.910 3.853 3.278 4.681 . 0 0 "[ . 1 . 2 . 3 ]" 1 4273 2 90 ARG QG 2 92 GLN H 4.700 . 4.700 3.829 2.265 4.855 0.155 16 0 "[ . 1 . 2 . 3 ]" 1 4274 2 91 LYS H 2 91 LYS HB2 3.860 . 3.860 2.671 2.129 3.772 . 0 0 "[ . 1 . 2 . 3 ]" 1 4275 2 91 LYS H 2 91 LYS QB 3.050 . 3.050 2.453 2.108 3.098 0.048 31 0 "[ . 1 . 2 . 3 ]" 1 4276 2 91 LYS H 2 91 LYS HB3 3.860 . 3.860 3.412 2.832 3.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 4277 2 91 LYS H 2 91 LYS QD 4.590 . 4.590 4.091 3.584 4.627 0.037 9 0 "[ . 1 . 2 . 3 ]" 1 4278 2 91 LYS H 2 91 LYS QG 3.730 . 3.730 2.553 1.666 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1 4279 2 91 LYS H 2 92 GLN H 3.550 . 3.550 2.821 2.118 3.551 0.001 11 0 "[ . 1 . 2 . 3 ]" 1 4280 2 91 LYS H 2 92 GLN HA 5.500 . 5.500 4.736 4.347 5.315 . 0 0 "[ . 1 . 2 . 3 ]" 1 4281 2 91 LYS H 2 92 GLN QG 4.630 . 4.630 4.234 3.231 4.721 0.091 7 0 "[ . 1 . 2 . 3 ]" 1 4282 2 91 LYS HA 2 91 LYS QG 3.740 . 3.740 2.642 2.185 3.352 . 0 0 "[ . 1 . 2 . 3 ]" 1 4283 2 91 LYS HA 2 92 GLN H 3.330 . 3.330 2.971 2.448 3.406 0.076 30 0 "[ . 1 . 2 . 3 ]" 1 4284 2 91 LYS HA 2 92 GLN QG 5.500 . 5.500 4.008 3.462 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1 4285 2 91 LYS QB 2 92 GLN H 4.180 . 4.180 3.586 3.025 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1 4286 2 91 LYS HB2 2 92 GLN H 4.760 . 4.760 3.894 3.181 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1 4287 2 91 LYS HB3 2 92 GLN H 4.760 . 4.760 4.257 3.618 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 4288 2 91 LYS QD 2 91 LYS QG 2.310 . 2.310 2.061 2.007 2.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 4289 2 91 LYS QG 2 92 GLN H 4.610 . 4.610 4.369 3.345 4.720 0.110 20 0 "[ . 1 . 2 . 3 ]" 1 4290 2 92 GLN H 2 92 GLN HB2 4.010 . 4.010 3.460 2.503 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1 4291 2 92 GLN H 2 92 GLN QB 3.460 . 3.460 3.051 2.460 3.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 4292 2 92 GLN H 2 92 GLN HB3 4.010 . 4.010 3.592 2.743 4.061 0.051 4 0 "[ . 1 . 2 . 3 ]" 1 4293 2 92 GLN H 2 92 GLN QG 3.790 . 3.790 2.293 1.739 2.988 . 0 0 "[ . 1 . 2 . 3 ]" 1 4294 2 92 GLN HA 2 92 GLN QB 2.610 . 2.610 2.276 2.170 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 1 4295 2 92 GLN HA 2 92 GLN QG 3.790 . 3.790 2.809 2.456 3.417 . 0 0 "[ . 1 . 2 . 3 ]" 1 4296 2 92 GLN HB2 2 92 GLN QG 2.630 . 2.630 2.358 2.136 2.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 4297 2 92 GLN HB3 2 92 GLN QG 2.630 . 2.630 2.319 2.142 2.496 . 0 0 "[ . 1 . 2 . 3 ]" 1 stop_ save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:42:40 AM GMT (wattos1)