NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
595253 | 2mv2 | 25240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mv2 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 2257 _Distance_constraint_stats_list.Viol_count 617 _Distance_constraint_stats_list.Viol_total 532.889 _Distance_constraint_stats_list.Viol_max 1.446 _Distance_constraint_stats_list.Viol_rms 0.0292 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0024 _Distance_constraint_stats_list.Viol_average_violations_only 0.0864 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 1.104 0.155 5 0 "[ . 1]" 1 2 ALA 0.000 0.000 . 0 "[ . 1]" 1 3 SER 0.000 0.000 . 0 "[ . 1]" 1 4 GLY 0.334 0.088 1 0 "[ . 1]" 1 5 VAL 0.111 0.037 8 0 "[ . 1]" 1 6 THR 1.137 0.134 7 0 "[ . 1]" 1 7 VAL 0.120 0.041 5 0 "[ . 1]" 1 8 SER 0.022 0.012 8 0 "[ . 1]" 1 9 ASP 0.176 0.072 6 0 "[ . 1]" 1 10 VAL 2.046 0.176 5 0 "[ . 1]" 1 11 CYS 0.196 0.065 6 0 "[ . 1]" 1 12 LYS 0.000 0.000 . 0 "[ . 1]" 1 13 THR 0.412 0.176 5 0 "[ . 1]" 1 14 THR 0.000 0.000 . 0 "[ . 1]" 1 15 TYR 0.936 0.135 6 0 "[ . 1]" 1 16 GLU 9.663 1.446 10 9 "[** *****-+]" 1 17 GLU 0.223 0.065 7 0 "[ . 1]" 1 18 ILE 0.585 0.080 5 0 "[ . 1]" 1 19 LYS 1.857 0.798 1 2 "[+ . -]" 1 20 LYS 0.000 0.000 . 0 "[ . 1]" 1 21 ASP 0.133 0.065 7 0 "[ . 1]" 1 22 LYS 1.599 0.144 3 0 "[ . 1]" 1 23 LYS 0.580 0.098 1 0 "[ . 1]" 1 24 HIS 0.584 0.080 5 0 "[ . 1]" 1 25 ARG 0.200 0.126 9 0 "[ . 1]" 1 26 TYR 0.720 0.160 5 0 "[ . 1]" 1 27 VAL 0.515 0.135 6 0 "[ . 1]" 1 28 ILE 0.053 0.027 1 0 "[ . 1]" 1 29 PHE 0.173 0.081 7 0 "[ . 1]" 1 30 TYR 0.669 0.139 10 0 "[ . 1]" 1 31 ILE 3.195 0.218 8 0 "[ . 1]" 1 32 ARG 1.165 0.096 6 0 "[ . 1]" 1 33 ASP 0.000 0.000 . 0 "[ . 1]" 1 34 GLU 0.451 0.115 2 0 "[ . 1]" 1 35 LYS 0.169 0.065 8 0 "[ . 1]" 1 36 GLN 0.640 0.115 2 0 "[ . 1]" 1 37 ILE 2.187 0.134 7 0 "[ . 1]" 1 38 ASP 1.250 0.215 10 0 "[ . 1]" 1 39 VAL 0.215 0.059 2 0 "[ . 1]" 1 40 GLU 2.435 0.159 8 0 "[ . 1]" 1 41 THR 0.531 0.112 3 0 "[ . 1]" 1 42 VAL 0.366 0.118 4 0 "[ . 1]" 1 43 ALA 0.010 0.010 10 0 "[ . 1]" 1 44 ASP 0.689 0.160 5 0 "[ . 1]" 1 45 ARG 0.000 0.000 . 0 "[ . 1]" 1 46 ASN 0.000 0.000 . 0 "[ . 1]" 1 47 ALA 0.149 0.126 9 0 "[ . 1]" 1 48 GLU 0.021 0.021 9 0 "[ . 1]" 1 49 TYR 1.040 0.162 1 0 "[ . 1]" 1 50 ASP 0.000 0.000 . 0 "[ . 1]" 1 51 GLN 0.000 0.000 . 0 "[ . 1]" 1 52 PHE 0.288 0.080 6 0 "[ . 1]" 1 53 LEU 0.194 0.059 9 0 "[ . 1]" 1 54 GLU 0.000 0.000 . 0 "[ . 1]" 1 55 ASP 0.606 0.112 3 0 "[ . 1]" 1 56 ILE 0.126 0.038 4 0 "[ . 1]" 1 57 GLN 0.071 0.042 4 0 "[ . 1]" 1 58 LYS 0.166 0.128 1 0 "[ . 1]" 1 59 CYS 0.038 0.038 4 0 "[ . 1]" 1 60 GLY 0.000 0.000 . 0 "[ . 1]" 1 61 PRO 0.000 0.000 . 0 "[ . 1]" 1 62 GLY 0.000 0.000 . 0 "[ . 1]" 1 63 GLU 0.720 0.126 5 0 "[ . 1]" 1 64 CYS 0.000 0.000 . 0 "[ . 1]" 1 65 ARG 0.326 0.108 3 0 "[ . 1]" 1 66 TYR 0.104 0.104 3 0 "[ . 1]" 1 67 GLY 0.120 0.050 1 0 "[ . 1]" 1 68 LEU 1.051 0.166 2 0 "[ . 1]" 1 69 PHE 1.045 0.145 2 0 "[ . 1]" 1 70 ASP 0.353 0.163 2 0 "[ . 1]" 1 71 PHE 1.327 0.223 5 0 "[ . 1]" 1 72 GLU 0.107 0.052 2 0 "[ . 1]" 1 73 TYR 0.346 0.077 2 0 "[ . 1]" 1 74 MET 0.189 0.057 3 0 "[ . 1]" 1 75 HIS 0.059 0.059 2 0 "[ . 1]" 1 76 GLN 0.408 0.080 5 0 "[ . 1]" 1 77 CYS 0.000 0.000 . 0 "[ . 1]" 1 78 GLN 0.000 0.000 . 0 "[ . 1]" 1 79 GLY 0.000 0.000 . 0 "[ . 1]" 1 80 THR 0.000 0.000 . 0 "[ . 1]" 1 81 SER 0.000 0.000 . 0 "[ . 1]" 1 82 GLU 0.000 0.000 . 0 "[ . 1]" 1 83 SER 0.524 0.080 5 0 "[ . 1]" 1 84 SER 0.000 0.000 . 0 "[ . 1]" 1 85 LYS 0.910 0.136 10 0 "[ . 1]" 1 86 LYS 0.273 0.149 7 0 "[ . 1]" 1 87 GLN 0.000 0.000 . 0 "[ . 1]" 1 88 LYS 0.715 0.223 5 0 "[ . 1]" 1 89 LEU 2.125 0.177 4 0 "[ . 1]" 1 90 PHE 1.406 0.161 10 0 "[ . 1]" 1 91 LEU 0.061 0.041 7 0 "[ . 1]" 1 92 MET 0.252 0.042 4 0 "[ . 1]" 1 93 SER 1.876 0.270 4 0 "[ . 1]" 1 94 TRP 0.433 0.108 3 0 "[ . 1]" 1 95 CYS 0.333 0.126 5 0 "[ . 1]" 1 96 PRO 1.179 0.148 7 0 "[ . 1]" 1 97 ASP 0.013 0.009 2 0 "[ . 1]" 1 98 THR 0.000 0.000 . 0 "[ . 1]" 1 99 ALA 0.434 0.191 7 0 "[ . 1]" 1 100 LYS 0.000 0.000 . 0 "[ . 1]" 1 101 VAL 0.000 0.000 . 0 "[ . 1]" 1 102 LYS 0.230 0.187 3 0 "[ . 1]" 1 103 LYS 0.065 0.065 10 0 "[ . 1]" 1 104 LYS 0.502 0.191 7 0 "[ . 1]" 1 105 MET 0.263 0.087 9 0 "[ . 1]" 1 106 LEU 0.285 0.073 6 0 "[ . 1]" 1 107 TYR 0.893 0.155 5 0 "[ . 1]" 1 108 SER 0.301 0.180 1 0 "[ . 1]" 1 109 SER 0.065 0.065 8 0 "[ . 1]" 1 110 SER 1.369 0.218 8 0 "[ . 1]" 1 111 PHE 0.263 0.090 4 0 "[ . 1]" 1 112 ASP 0.279 0.069 5 0 "[ . 1]" 1 113 ALA 0.574 0.088 1 0 "[ . 1]" 1 114 LEU 0.159 0.041 5 0 "[ . 1]" 1 115 LYS 0.279 0.069 5 0 "[ . 1]" 1 116 LYS 0.240 0.064 8 0 "[ . 1]" 1 117 SER 0.000 0.000 . 0 "[ . 1]" 1 118 LEU 1.248 0.166 2 0 "[ . 1]" 1 119 VAL 11.343 1.446 10 9 "[** ******+]" 1 120 GLY 0.000 0.000 . 0 "[ . 1]" 1 121 VAL 1.287 0.161 10 0 "[ . 1]" 1 122 GLN 0.255 0.066 5 0 "[ . 1]" 1 123 LYS 1.583 0.149 10 0 "[ . 1]" 1 124 TYR 0.000 0.000 . 0 "[ . 1]" 1 125 ILE 4.488 0.815 3 3 "[ -+ . *]" 1 126 GLN 2.713 0.270 4 0 "[ . 1]" 1 127 ALA 3.247 1.012 2 1 "[ + . 1]" 1 128 THR 2.134 0.205 2 0 "[ . 1]" 1 129 ASP 0.087 0.087 6 0 "[ . 1]" 1 130 LEU 0.071 0.042 4 0 "[ . 1]" 1 131 SER 0.602 0.150 10 0 "[ . 1]" 1 132 GLU 0.000 0.000 . 0 "[ . 1]" 1 133 ALA 0.695 0.128 3 0 "[ . 1]" 1 134 SER 0.320 0.059 9 0 "[ . 1]" 1 135 ARG 1.040 0.162 1 0 "[ . 1]" 1 136 GLU 0.000 0.000 . 0 "[ . 1]" 1 137 ALA 0.000 0.000 . 0 "[ . 1]" 1 138 VAL 6.719 1.012 2 3 "[ +* . *]" 1 139 GLU 0.264 0.077 2 0 "[ . 1]" 1 140 GLU 0.118 0.054 9 0 "[ . 1]" 1 141 LYS 2.120 0.197 10 0 "[ . 1]" 1 142 LEU 0.579 0.148 9 0 "[ . 1]" 1 143 ARG 0.108 0.051 3 0 "[ . 1]" 1 144 ALA 0.128 0.054 9 0 "[ . 1]" 1 145 THR 0.105 0.047 9 0 "[ . 1]" 1 146 ASP 0.176 0.083 6 0 "[ . 1]" 1 147 ARG 0.000 0.000 . 0 "[ . 1]" 1 148 GLN 0.176 0.083 6 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 MET HA 1 2 ALA H 6.500 . 6.500 2.612 2.135 3.564 . 0 0 "[ . 1]" 1 2 1 1 MET HA 1 35 LYS HE2 6.500 . 6.500 6.118 5.186 6.539 0.039 6 0 "[ . 1]" 1 3 1 1 MET HA 1 35 LYS HE3 6.500 . 6.500 5.214 4.270 6.565 0.065 8 0 "[ . 1]" 1 4 1 1 MET QB 1 105 MET QG 5.500 . 5.500 4.252 3.911 4.926 . 0 0 "[ . 1]" 1 5 1 1 MET QB 1 107 TYR QB 6.500 . 6.500 6.533 6.419 6.623 0.123 6 0 "[ . 1]" 1 6 1 1 MET HB2 1 2 ALA H 6.500 . 6.500 3.647 2.260 4.487 . 0 0 "[ . 1]" 1 7 1 1 MET HB2 1 105 MET HB2 6.500 . 6.500 5.991 5.447 6.538 0.038 8 0 "[ . 1]" 1 8 1 1 MET HB2 1 105 MET HB3 5.500 . 5.500 4.388 3.822 4.872 . 0 0 "[ . 1]" 1 9 1 1 MET HB3 1 2 ALA H 6.500 . 6.500 3.747 3.312 4.281 . 0 0 "[ . 1]" 1 10 1 1 MET HB3 1 105 MET HB2 6.500 . 6.500 5.963 5.014 6.587 0.087 9 0 "[ . 1]" 1 11 1 1 MET HB3 1 105 MET HB3 5.500 . 5.500 4.397 3.389 5.257 . 0 0 "[ . 1]" 1 12 1 1 MET QG 1 107 TYR QB 6.500 . 6.500 6.332 5.928 6.655 0.155 5 0 "[ . 1]" 1 13 1 1 MET HG2 1 2 ALA H 6.500 . 6.500 4.522 3.284 5.752 . 0 0 "[ . 1]" 1 14 1 1 MET HG3 1 2 ALA H 6.500 . 6.500 4.513 3.237 5.000 . 0 0 "[ . 1]" 1 15 1 2 ALA H 1 3 SER H 6.500 . 6.500 3.861 2.182 4.595 . 0 0 "[ . 1]" 1 16 1 2 ALA HA 1 3 SER H 5.500 . 5.500 2.706 2.144 3.555 . 0 0 "[ . 1]" 1 17 1 2 ALA MB 1 3 SER H 6.500 . 6.500 2.608 1.870 3.615 . 0 0 "[ . 1]" 1 18 1 3 SER H 1 4 GLY H 6.500 . 6.500 3.470 1.779 4.579 . 0 0 "[ . 1]" 1 19 1 3 SER HA 1 4 GLY H 6.500 . 6.500 2.582 2.151 3.519 . 0 0 "[ . 1]" 1 20 1 3 SER HA 1 5 VAL H 6.500 . 6.500 5.368 4.314 6.356 . 0 0 "[ . 1]" 1 21 1 3 SER QB 1 4 GLY H 5.000 . 5.000 3.329 2.319 3.833 . 0 0 "[ . 1]" 1 22 1 3 SER QB 1 109 SER QB 6.500 . 6.500 4.438 3.604 5.484 . 0 0 "[ . 1]" 1 23 1 3 SER HB2 1 4 GLY H 5.500 . 5.500 3.859 2.665 4.480 . 0 0 "[ . 1]" 1 24 1 3 SER HB3 1 4 GLY H 5.500 . 5.500 3.873 2.353 4.485 . 0 0 "[ . 1]" 1 25 1 4 GLY H 1 5 VAL H 6.500 . 6.500 3.762 2.361 4.502 . 0 0 "[ . 1]" 1 26 1 4 GLY QA 1 5 VAL H 5.500 . 5.500 2.184 2.098 2.456 . 0 0 "[ . 1]" 1 27 1 4 GLY QA 1 109 SER QB 6.500 . 6.500 4.450 2.550 5.540 . 0 0 "[ . 1]" 1 28 1 4 GLY QA 1 113 ALA H 6.500 . 6.500 6.491 6.342 6.588 0.088 1 0 "[ . 1]" 1 29 1 5 VAL H 1 6 THR H 6.500 . 6.500 4.479 4.370 4.580 . 0 0 "[ . 1]" 1 30 1 5 VAL H 1 110 SER HA 6.500 . 6.500 4.908 4.339 5.524 . 0 0 "[ . 1]" 1 31 1 5 VAL H 1 110 SER QB 6.500 . 6.500 5.978 5.393 6.537 0.037 8 0 "[ . 1]" 1 32 1 5 VAL H 1 113 ALA MB 6.500 . 6.500 2.973 2.439 3.631 . 0 0 "[ . 1]" 1 33 1 5 VAL HA 1 6 THR H 5.500 . 5.500 2.208 2.138 2.254 . 0 0 "[ . 1]" 1 34 1 5 VAL HA 1 36 GLN H 6.500 . 6.500 5.642 5.123 6.369 . 0 0 "[ . 1]" 1 35 1 5 VAL HA 1 36 GLN HA 6.500 . 6.500 3.571 2.918 3.976 . 0 0 "[ . 1]" 1 36 1 5 VAL HA 1 110 SER QB 6.500 . 6.500 5.397 4.809 6.056 . 0 0 "[ . 1]" 1 37 1 5 VAL HA 1 113 ALA MB 6.500 . 6.500 4.411 4.046 5.243 . 0 0 "[ . 1]" 1 38 1 5 VAL HB 1 6 THR H 6.500 . 6.500 3.958 3.858 4.087 . 0 0 "[ . 1]" 1 39 1 5 VAL HB 1 110 SER HA 6.500 . 6.500 3.063 2.603 3.474 . 0 0 "[ . 1]" 1 40 1 5 VAL HB 1 110 SER HB2 6.500 . 6.500 4.853 4.038 5.990 . 0 0 "[ . 1]" 1 41 1 5 VAL HB 1 110 SER QB 5.500 . 5.500 3.981 3.346 4.552 . 0 0 "[ . 1]" 1 42 1 5 VAL HB 1 110 SER HB3 6.500 . 6.500 4.343 3.487 5.303 . 0 0 "[ . 1]" 1 43 1 5 VAL QG 1 35 LYS H 6.500 . 6.500 4.536 4.090 4.853 . 0 0 "[ . 1]" 1 44 1 5 VAL QG 1 36 GLN QB 5.500 . 5.500 3.326 3.001 3.659 . 0 0 "[ . 1]" 1 45 1 5 VAL QG 1 110 SER QB 5.500 . 5.500 2.200 1.721 2.579 . 0 0 "[ . 1]" 1 46 1 5 VAL MG1 1 6 THR H 6.500 . 6.500 2.476 2.221 3.624 . 0 0 "[ . 1]" 1 47 1 5 VAL MG1 1 6 THR HA 6.500 . 6.500 3.876 3.723 3.998 . 0 0 "[ . 1]" 1 48 1 5 VAL MG1 1 6 THR HB 6.500 . 6.500 4.234 3.969 5.393 . 0 0 "[ . 1]" 1 49 1 5 VAL MG1 1 6 THR MG 6.500 . 6.500 4.689 4.497 5.267 . 0 0 "[ . 1]" 1 50 1 5 VAL MG1 1 35 LYS HA 6.500 . 6.500 4.092 3.298 5.815 . 0 0 "[ . 1]" 1 51 1 5 VAL MG1 1 36 GLN H 6.500 . 6.500 3.980 3.242 6.322 . 0 0 "[ . 1]" 1 52 1 5 VAL MG1 1 36 GLN HA 6.500 . 6.500 2.091 1.595 4.439 . 0 0 "[ . 1]" 1 53 1 5 VAL MG1 1 37 ILE HB 6.500 . 6.500 4.060 3.825 4.891 . 0 0 "[ . 1]" 1 54 1 5 VAL MG1 1 37 ILE MG 6.500 . 6.500 4.037 3.886 4.596 . 0 0 "[ . 1]" 1 55 1 5 VAL MG1 1 110 SER H 6.500 . 6.500 4.345 3.231 4.770 . 0 0 "[ . 1]" 1 56 1 5 VAL MG1 1 110 SER HA 5.500 . 5.500 2.690 1.286 3.237 . 0 0 "[ . 1]" 1 57 1 5 VAL MG1 1 110 SER HB2 6.500 . 6.500 3.295 2.539 4.180 . 0 0 "[ . 1]" 1 58 1 5 VAL MG1 1 110 SER HB3 6.500 . 6.500 2.702 2.029 3.929 . 0 0 "[ . 1]" 1 59 1 5 VAL MG1 1 113 ALA MB 6.500 . 6.500 2.851 2.029 3.167 . 0 0 "[ . 1]" 1 60 1 5 VAL MG2 1 6 THR H 6.500 . 6.500 3.764 2.212 4.110 . 0 0 "[ . 1]" 1 61 1 5 VAL MG2 1 6 THR HA 6.500 . 6.500 5.436 3.931 5.632 . 0 0 "[ . 1]" 1 62 1 5 VAL MG2 1 6 THR HB 6.500 . 6.500 5.795 3.945 6.192 . 0 0 "[ . 1]" 1 63 1 5 VAL MG2 1 6 THR MG 6.500 . 6.500 6.142 4.573 6.383 . 0 0 "[ . 1]" 1 64 1 5 VAL MG2 1 35 LYS HA 5.500 . 5.500 3.727 3.283 4.461 . 0 0 "[ . 1]" 1 65 1 5 VAL MG2 1 36 GLN H 6.500 . 6.500 4.982 3.698 5.630 . 0 0 "[ . 1]" 1 66 1 5 VAL MG2 1 36 GLN HA 6.500 . 6.500 3.774 2.248 4.305 . 0 0 "[ . 1]" 1 67 1 5 VAL MG2 1 36 GLN HB2 6.500 . 6.500 5.837 4.354 6.521 0.021 1 0 "[ . 1]" 1 68 1 5 VAL MG2 1 36 GLN HB3 6.500 . 6.500 5.472 4.032 6.284 . 0 0 "[ . 1]" 1 69 1 5 VAL MG2 1 37 ILE HB 6.500 . 6.500 6.202 4.161 6.528 0.028 10 0 "[ . 1]" 1 70 1 5 VAL MG2 1 37 ILE MG 6.500 . 6.500 5.462 4.087 5.728 . 0 0 "[ . 1]" 1 71 1 5 VAL MG2 1 110 SER H 6.500 . 6.500 3.086 2.441 3.652 . 0 0 "[ . 1]" 1 72 1 5 VAL MG2 1 110 SER HA 5.500 . 5.500 1.964 1.305 2.812 . 0 0 "[ . 1]" 1 73 1 5 VAL MG2 1 110 SER HB2 6.500 . 6.500 3.471 2.176 3.989 . 0 0 "[ . 1]" 1 74 1 5 VAL MG2 1 110 SER HB3 6.500 . 6.500 2.721 1.892 3.496 . 0 0 "[ . 1]" 1 75 1 5 VAL MG2 1 113 ALA MB 6.500 . 6.500 2.683 2.089 3.974 . 0 0 "[ . 1]" 1 76 1 6 THR H 1 7 VAL H 6.500 . 6.500 4.520 4.433 4.561 . 0 0 "[ . 1]" 1 77 1 6 THR H 1 36 GLN HA 6.500 . 6.500 2.443 2.120 2.959 . 0 0 "[ . 1]" 1 78 1 6 THR H 1 36 GLN HB2 6.500 . 6.500 3.754 2.766 4.836 . 0 0 "[ . 1]" 1 79 1 6 THR H 1 36 GLN QB 6.500 . 6.500 2.990 2.303 3.636 . 0 0 "[ . 1]" 1 80 1 6 THR H 1 36 GLN HB3 6.500 . 6.500 3.177 2.430 3.759 . 0 0 "[ . 1]" 1 81 1 6 THR H 1 36 GLN QG 6.500 . 6.500 4.382 2.474 5.268 . 0 0 "[ . 1]" 1 82 1 6 THR H 1 37 ILE H 6.500 . 6.500 3.741 3.437 3.989 . 0 0 "[ . 1]" 1 83 1 6 THR HA 1 7 VAL H 5.500 . 5.500 2.232 2.162 2.310 . 0 0 "[ . 1]" 1 84 1 6 THR HA 1 36 GLN HB2 6.500 . 6.500 5.236 4.357 6.608 0.108 1 0 "[ . 1]" 1 85 1 6 THR HA 1 36 GLN QB 6.500 . 6.500 4.484 4.009 4.854 . 0 0 "[ . 1]" 1 86 1 6 THR HA 1 36 GLN HB3 6.500 . 6.500 5.051 4.547 5.822 . 0 0 "[ . 1]" 1 87 1 6 THR HB 1 7 VAL H 6.500 . 6.500 4.021 3.731 4.287 . 0 0 "[ . 1]" 1 88 1 6 THR HB 1 36 GLN QB 5.000 . 5.000 2.376 1.802 2.960 . 0 0 "[ . 1]" 1 89 1 6 THR HB 1 37 ILE HB 6.500 . 6.500 6.275 6.013 6.487 . 0 0 "[ . 1]" 1 90 1 6 THR MG 1 7 VAL H 6.500 . 6.500 2.393 2.082 2.769 . 0 0 "[ . 1]" 1 91 1 6 THR MG 1 36 GLN HA 6.500 . 6.500 4.750 4.076 5.425 . 0 0 "[ . 1]" 1 92 1 6 THR MG 1 37 ILE HB 6.500 . 6.500 5.443 5.371 5.541 . 0 0 "[ . 1]" 1 93 1 6 THR MG 1 37 ILE HG12 6.500 . 6.500 6.597 6.567 6.634 0.134 7 0 "[ . 1]" 1 94 1 6 THR MG 1 37 ILE HG13 6.500 . 6.500 5.151 5.117 5.238 . 0 0 "[ . 1]" 1 95 1 6 THR MG 1 37 ILE MG 6.500 . 6.500 6.275 6.173 6.359 . 0 0 "[ . 1]" 1 96 1 6 THR O 1 37 ILE H 4.500 . 4.500 1.726 1.665 1.835 . 0 0 "[ . 1]" 1 97 1 6 THR O 1 37 ILE N 4.500 . 4.500 2.684 2.599 2.801 . 0 0 "[ . 1]" 1 98 1 7 VAL H 1 8 SER H 6.500 . 6.500 4.449 4.341 4.533 . 0 0 "[ . 1]" 1 99 1 7 VAL H 1 113 ALA MB 6.500 . 6.500 5.700 5.092 6.094 . 0 0 "[ . 1]" 1 100 1 7 VAL HA 1 8 SER H 5.500 . 5.500 2.181 2.166 2.209 . 0 0 "[ . 1]" 1 101 1 7 VAL HA 1 37 ILE H 6.500 . 6.500 2.886 2.510 3.200 . 0 0 "[ . 1]" 1 102 1 7 VAL HA 1 38 ASP H 6.500 . 6.500 5.682 5.433 5.929 . 0 0 "[ . 1]" 1 103 1 7 VAL HB 1 8 SER H 6.500 . 6.500 4.133 4.009 4.280 . 0 0 "[ . 1]" 1 104 1 7 VAL HB 1 37 ILE H 6.500 . 6.500 5.800 5.431 6.062 . 0 0 "[ . 1]" 1 105 1 7 VAL QG 1 8 SER H 6.500 . 6.500 2.716 2.499 2.969 . 0 0 "[ . 1]" 1 106 1 7 VAL QG 1 11 CYS H 6.500 . 6.500 3.683 3.456 3.871 . 0 0 "[ . 1]" 1 107 1 7 VAL QG 1 11 CYS HA 6.500 . 6.500 4.517 4.364 4.753 . 0 0 "[ . 1]" 1 108 1 7 VAL QG 1 11 CYS QB 6.500 . 6.500 2.103 1.917 2.302 . 0 0 "[ . 1]" 1 109 1 7 VAL QG 1 12 LYS H 6.500 . 6.500 3.604 3.113 4.078 . 0 0 "[ . 1]" 1 110 1 7 VAL QG 1 37 ILE H 6.500 . 6.500 3.876 3.579 4.101 . 0 0 "[ . 1]" 1 111 1 7 VAL QG 1 38 ASP H 6.500 . 6.500 5.243 4.788 5.639 . 0 0 "[ . 1]" 1 112 1 7 VAL QG 1 38 ASP HA 6.500 . 6.500 4.914 4.476 5.258 . 0 0 "[ . 1]" 1 113 1 7 VAL QG 1 38 ASP QB 6.500 . 6.500 5.836 5.432 6.103 . 0 0 "[ . 1]" 1 114 1 7 VAL QG 1 39 VAL H 6.500 . 6.500 6.181 5.898 6.510 0.010 3 0 "[ . 1]" 1 115 1 7 VAL QG 1 113 ALA MB 6.500 . 6.500 3.629 3.111 4.179 . 0 0 "[ . 1]" 1 116 1 7 VAL QG 1 114 LEU H 6.500 . 6.500 4.893 4.197 5.546 . 0 0 "[ . 1]" 1 117 1 7 VAL QG 1 114 LEU HA 5.500 . 5.500 3.356 2.680 3.796 . 0 0 "[ . 1]" 1 118 1 7 VAL QG 1 114 LEU QB 6.500 . 6.500 3.736 3.079 4.305 . 0 0 "[ . 1]" 1 119 1 7 VAL QG 1 114 LEU QD 6.500 . 6.500 4.505 3.898 4.991 . 0 0 "[ . 1]" 1 120 1 7 VAL QG 1 117 SER H 6.500 . 6.500 4.236 3.724 4.720 . 0 0 "[ . 1]" 1 121 1 7 VAL MG1 1 8 SER H 6.500 . 6.500 2.753 2.521 3.031 . 0 0 "[ . 1]" 1 122 1 7 VAL MG1 1 11 CYS HB2 6.500 . 6.500 3.057 2.814 3.263 . 0 0 "[ . 1]" 1 123 1 7 VAL MG1 1 11 CYS HB3 6.500 . 6.500 2.151 1.953 2.363 . 0 0 "[ . 1]" 1 124 1 7 VAL MG1 1 37 ILE H 6.500 . 6.500 4.525 4.210 4.875 . 0 0 "[ . 1]" 1 125 1 7 VAL MG1 1 114 LEU HA 6.500 . 6.500 4.372 3.663 4.841 . 0 0 "[ . 1]" 1 126 1 7 VAL MG1 1 114 LEU HB2 6.500 . 6.500 4.892 3.738 5.618 . 0 0 "[ . 1]" 1 127 1 7 VAL MG1 1 114 LEU HB3 6.500 . 6.500 4.923 4.029 5.602 . 0 0 "[ . 1]" 1 128 1 7 VAL MG1 1 114 LEU MD1 6.500 . 6.500 5.845 4.663 6.528 0.028 7 0 "[ . 1]" 1 129 1 7 VAL MG1 1 114 LEU MD2 6.500 . 6.500 5.826 4.732 6.541 0.041 5 0 "[ . 1]" 1 130 1 7 VAL MG2 1 8 SER H 6.500 . 6.500 4.187 4.097 4.256 . 0 0 "[ . 1]" 1 131 1 7 VAL MG2 1 11 CYS HB2 6.500 . 6.500 5.250 5.089 5.482 . 0 0 "[ . 1]" 1 132 1 7 VAL MG2 1 11 CYS HB3 6.500 . 6.500 4.593 4.475 4.778 . 0 0 "[ . 1]" 1 133 1 7 VAL MG2 1 37 ILE H 6.500 . 6.500 4.218 3.874 4.538 . 0 0 "[ . 1]" 1 134 1 7 VAL MG2 1 114 LEU HA 6.500 . 6.500 3.497 2.755 4.022 . 0 0 "[ . 1]" 1 135 1 7 VAL MG2 1 114 LEU HB2 6.500 . 6.500 4.848 3.859 5.573 . 0 0 "[ . 1]" 1 136 1 7 VAL MG2 1 114 LEU HB3 6.500 . 6.500 4.468 3.451 5.472 . 0 0 "[ . 1]" 1 137 1 7 VAL MG2 1 114 LEU MD1 6.500 . 6.500 5.797 4.973 6.391 . 0 0 "[ . 1]" 1 138 1 7 VAL MG2 1 114 LEU MD2 6.500 . 6.500 5.496 4.432 6.262 . 0 0 "[ . 1]" 1 139 1 8 SER H 1 9 ASP H 6.500 . 6.500 4.599 4.575 4.618 . 0 0 "[ . 1]" 1 140 1 8 SER H 1 11 CYS H 6.500 . 6.500 4.383 4.183 4.554 . 0 0 "[ . 1]" 1 141 1 8 SER H 1 11 CYS HB2 6.500 . 6.500 4.095 3.690 4.441 . 0 0 "[ . 1]" 1 142 1 8 SER H 1 11 CYS HB3 6.500 . 6.500 3.936 3.513 4.281 . 0 0 "[ . 1]" 1 143 1 8 SER H 1 37 ILE H 6.500 . 6.500 3.588 3.116 3.995 . 0 0 "[ . 1]" 1 144 1 8 SER H 1 37 ILE HB 6.500 . 6.500 2.686 2.478 2.973 . 0 0 "[ . 1]" 1 145 1 8 SER H 1 37 ILE HG12 6.500 . 6.500 5.496 5.318 5.670 . 0 0 "[ . 1]" 1 146 1 8 SER H 1 37 ILE HG13 6.500 . 6.500 4.401 4.112 4.633 . 0 0 "[ . 1]" 1 147 1 8 SER H 1 37 ILE O 4.500 . 4.500 2.315 1.822 2.614 . 0 0 "[ . 1]" 1 148 1 8 SER H 1 38 ASP HA 6.500 . 6.500 3.800 3.459 4.196 . 0 0 "[ . 1]" 1 149 1 8 SER H 1 38 ASP HB2 6.500 . 6.500 5.095 4.633 5.347 . 0 0 "[ . 1]" 1 150 1 8 SER H 1 38 ASP QB 6.500 . 6.500 4.889 4.482 5.109 . 0 0 "[ . 1]" 1 151 1 8 SER H 1 38 ASP HB3 6.500 . 6.500 6.302 5.963 6.512 0.012 8 0 "[ . 1]" 1 152 1 8 SER HA 1 38 ASP HA 6.500 . 6.500 5.373 5.084 5.878 . 0 0 "[ . 1]" 1 153 1 8 SER HA 1 38 ASP QB 6.500 . 6.500 6.095 5.738 6.504 0.004 8 0 "[ . 1]" 1 154 1 8 SER QB 1 9 ASP H 6.500 . 6.500 2.518 2.259 2.713 . 0 0 "[ . 1]" 1 155 1 8 SER QB 1 10 VAL H 6.500 . 6.500 2.719 2.475 3.008 . 0 0 "[ . 1]" 1 156 1 8 SER QB 1 10 VAL HA 6.500 . 6.500 5.016 4.657 5.392 . 0 0 "[ . 1]" 1 157 1 8 SER QB 1 10 VAL HB 5.500 . 5.500 3.484 2.979 4.004 . 0 0 "[ . 1]" 1 158 1 8 SER QB 1 10 VAL QG 5.500 . 5.500 2.695 2.220 3.143 . 0 0 "[ . 1]" 1 159 1 8 SER QB 1 11 CYS H 5.500 . 5.500 3.357 3.116 3.784 . 0 0 "[ . 1]" 1 160 1 8 SER QB 1 37 ILE MG 6.500 . 6.500 4.541 4.211 4.833 . 0 0 "[ . 1]" 1 161 1 8 SER QB 1 38 ASP QB 6.500 . 6.500 3.682 3.351 3.972 . 0 0 "[ . 1]" 1 162 1 8 SER HB2 1 9 ASP H 6.500 . 6.500 3.695 3.513 3.875 . 0 0 "[ . 1]" 1 163 1 8 SER HB2 1 10 VAL HA 6.500 . 6.500 5.691 5.330 6.094 . 0 0 "[ . 1]" 1 164 1 8 SER HB2 1 10 VAL HB 6.500 . 6.500 3.721 3.150 4.268 . 0 0 "[ . 1]" 1 165 1 8 SER HB2 1 10 VAL MG1 6.500 . 6.500 5.140 4.652 5.592 . 0 0 "[ . 1]" 1 166 1 8 SER HB2 1 10 VAL MG2 6.500 . 6.500 3.421 3.016 3.748 . 0 0 "[ . 1]" 1 167 1 8 SER HB2 1 37 ILE MG 6.500 . 6.500 4.675 4.319 4.995 . 0 0 "[ . 1]" 1 168 1 8 SER HB2 1 38 ASP HA 5.500 . 5.500 2.497 2.268 2.949 . 0 0 "[ . 1]" 1 169 1 8 SER HB3 1 9 ASP H 6.500 . 6.500 2.564 2.286 2.772 . 0 0 "[ . 1]" 1 170 1 8 SER HB3 1 10 VAL HA 6.500 . 6.500 5.578 5.137 6.012 . 0 0 "[ . 1]" 1 171 1 8 SER HB3 1 10 VAL HB 5.500 . 5.500 4.211 3.673 4.844 . 0 0 "[ . 1]" 1 172 1 8 SER HB3 1 10 VAL MG1 6.500 . 6.500 5.330 4.833 5.874 . 0 0 "[ . 1]" 1 173 1 8 SER HB3 1 10 VAL MG2 6.500 . 6.500 2.857 2.295 3.425 . 0 0 "[ . 1]" 1 174 1 8 SER HB3 1 37 ILE MG 6.500 . 6.500 6.166 5.838 6.464 . 0 0 "[ . 1]" 1 175 1 8 SER HB3 1 38 ASP HA 5.500 . 5.500 3.946 3.615 4.440 . 0 0 "[ . 1]" 1 176 1 8 SER N 1 37 ILE O 4.500 . 4.500 3.152 2.764 3.436 . 0 0 "[ . 1]" 1 177 1 9 ASP H 1 10 VAL H 6.500 . 6.500 2.644 2.525 2.862 . 0 0 "[ . 1]" 1 178 1 9 ASP H 1 11 CYS H 6.500 . 6.500 4.303 4.164 4.546 . 0 0 "[ . 1]" 1 179 1 9 ASP HA 1 10 VAL HA 6.500 . 6.500 4.825 4.777 4.886 . 0 0 "[ . 1]" 1 180 1 9 ASP HA 1 11 CYS H 6.500 . 6.500 3.814 3.478 4.030 . 0 0 "[ . 1]" 1 181 1 9 ASP HA 1 12 LYS H 6.500 . 6.500 3.119 2.835 3.309 . 0 0 "[ . 1]" 1 182 1 9 ASP HA 1 13 THR H 6.500 . 6.500 4.142 3.472 4.423 . 0 0 "[ . 1]" 1 183 1 9 ASP QB 1 10 VAL H 5.500 . 5.500 2.931 2.767 3.150 . 0 0 "[ . 1]" 1 184 1 9 ASP QB 1 10 VAL HA 6.500 . 6.500 3.991 3.797 4.246 . 0 0 "[ . 1]" 1 185 1 9 ASP QB 1 10 VAL HB 6.500 . 6.500 5.373 5.195 5.565 . 0 0 "[ . 1]" 1 186 1 9 ASP QB 1 10 VAL QG 5.500 . 5.500 3.441 3.265 3.633 . 0 0 "[ . 1]" 1 187 1 9 ASP QB 1 13 THR HA 6.500 . 6.500 6.178 5.561 6.572 0.072 6 0 "[ . 1]" 1 188 1 9 ASP QB 1 13 THR HB 6.500 . 6.500 5.685 5.009 6.282 . 0 0 "[ . 1]" 1 189 1 9 ASP QB 1 13 THR MG 6.500 . 6.500 4.796 2.912 5.776 . 0 0 "[ . 1]" 1 190 1 9 ASP HB2 1 10 VAL H 6.500 . 6.500 3.452 2.839 4.085 . 0 0 "[ . 1]" 1 191 1 9 ASP HB2 1 10 VAL HA 6.500 . 6.500 5.002 4.286 5.762 . 0 0 "[ . 1]" 1 192 1 9 ASP HB3 1 10 VAL H 6.500 . 6.500 3.449 2.861 3.929 . 0 0 "[ . 1]" 1 193 1 9 ASP HB3 1 10 VAL HA 6.500 . 6.500 4.269 4.086 4.503 . 0 0 "[ . 1]" 1 194 1 10 VAL H 1 11 CYS H 5.500 . 5.500 2.657 2.567 2.726 . 0 0 "[ . 1]" 1 195 1 10 VAL H 1 11 CYS HB2 6.500 . 6.500 5.092 4.994 5.215 . 0 0 "[ . 1]" 1 196 1 10 VAL H 1 11 CYS HB3 6.500 . 6.500 4.869 4.678 4.994 . 0 0 "[ . 1]" 1 197 1 10 VAL H 1 12 LYS H 6.500 . 6.500 4.200 3.959 4.480 . 0 0 "[ . 1]" 1 198 1 10 VAL HA 1 11 CYS H 6.500 . 6.500 3.477 3.421 3.512 . 0 0 "[ . 1]" 1 199 1 10 VAL HA 1 12 LYS H 6.500 . 6.500 4.334 4.036 4.815 . 0 0 "[ . 1]" 1 200 1 10 VAL HA 1 13 THR H 6.500 . 6.500 3.660 3.320 4.089 . 0 0 "[ . 1]" 1 201 1 10 VAL HA 1 13 THR HB 6.500 . 6.500 3.681 2.778 5.557 . 0 0 "[ . 1]" 1 202 1 10 VAL HA 1 13 THR MG 5.500 . 5.500 4.158 3.638 4.616 . 0 0 "[ . 1]" 1 203 1 10 VAL HA 1 14 THR H 6.500 . 6.500 4.342 4.097 4.769 . 0 0 "[ . 1]" 1 204 1 10 VAL HB 1 11 CYS H 6.500 . 6.500 2.957 2.740 3.140 . 0 0 "[ . 1]" 1 205 1 10 VAL HB 1 40 GLU HG2 6.500 . 6.500 6.529 6.310 6.634 0.134 2 0 "[ . 1]" 1 206 1 10 VAL HB 1 40 GLU HG3 6.500 . 6.500 6.627 6.597 6.659 0.159 8 0 "[ . 1]" 1 207 1 10 VAL QG 1 11 CYS H 6.500 . 6.500 3.373 3.295 3.417 . 0 0 "[ . 1]" 1 208 1 10 VAL QG 1 11 CYS HA 6.500 . 6.500 3.906 3.743 4.114 . 0 0 "[ . 1]" 1 209 1 10 VAL QG 1 11 CYS QB 6.500 . 6.500 4.295 4.172 4.371 . 0 0 "[ . 1]" 1 210 1 10 VAL QG 1 13 THR HA 6.500 . 6.500 6.003 5.534 6.676 0.176 5 0 "[ . 1]" 1 211 1 10 VAL QG 1 13 THR HB 6.500 . 6.500 4.187 3.354 5.928 . 0 0 "[ . 1]" 1 212 1 10 VAL QG 1 13 THR MG 6.500 . 6.500 4.303 3.731 4.818 . 0 0 "[ . 1]" 1 213 1 10 VAL QG 1 38 ASP HA 6.500 . 6.500 3.921 3.602 4.272 . 0 0 "[ . 1]" 1 214 1 10 VAL QG 1 38 ASP QB 6.500 . 6.500 4.486 4.052 4.920 . 0 0 "[ . 1]" 1 215 1 10 VAL QG 1 40 GLU H 6.500 . 6.500 4.679 4.470 4.928 . 0 0 "[ . 1]" 1 216 1 10 VAL QG 1 42 VAL QG 6.500 . 6.500 3.883 3.344 4.758 . 0 0 "[ . 1]" 1 217 1 10 VAL MG1 1 11 CYS H 6.500 . 6.500 3.942 3.813 4.099 . 0 0 "[ . 1]" 1 218 1 10 VAL MG1 1 40 GLU H 6.500 . 6.500 4.828 4.612 5.145 . 0 0 "[ . 1]" 1 219 1 10 VAL MG1 1 40 GLU HG2 6.500 . 6.500 5.300 4.952 5.611 . 0 0 "[ . 1]" 1 220 1 10 VAL MG1 1 40 GLU HG3 6.500 . 6.500 5.689 5.431 5.919 . 0 0 "[ . 1]" 1 221 1 10 VAL MG2 1 11 CYS H 6.500 . 6.500 3.669 3.590 3.730 . 0 0 "[ . 1]" 1 222 1 10 VAL MG2 1 40 GLU H 6.500 . 6.500 6.306 5.933 6.517 0.017 10 0 "[ . 1]" 1 223 1 10 VAL MG2 1 40 GLU HG2 6.500 . 6.500 5.697 5.431 5.986 . 0 0 "[ . 1]" 1 224 1 10 VAL MG2 1 40 GLU HG3 6.500 . 6.500 6.272 6.073 6.474 . 0 0 "[ . 1]" 1 225 1 11 CYS H 1 12 LYS H 5.500 . 5.500 2.490 2.362 2.655 . 0 0 "[ . 1]" 1 226 1 11 CYS H 1 12 LYS HB2 6.500 . 6.500 4.744 4.468 5.017 . 0 0 "[ . 1]" 1 227 1 11 CYS H 1 12 LYS HB3 6.500 . 6.500 4.863 4.727 5.117 . 0 0 "[ . 1]" 1 228 1 11 CYS H 1 13 THR H 6.500 . 6.500 4.133 3.849 4.321 . 0 0 "[ . 1]" 1 229 1 11 CYS H 1 39 VAL HB 6.500 . 6.500 4.325 3.715 4.821 . 0 0 "[ . 1]" 1 230 1 11 CYS H 1 39 VAL MG1 6.500 . 6.500 5.272 4.797 5.647 . 0 0 "[ . 1]" 1 231 1 11 CYS H 1 39 VAL QG 6.500 . 6.500 3.172 2.891 3.342 . 0 0 "[ . 1]" 1 232 1 11 CYS H 1 39 VAL MG2 6.500 . 6.500 3.200 2.912 3.373 . 0 0 "[ . 1]" 1 233 1 11 CYS HA 1 12 LYS H 6.500 . 6.500 3.520 3.481 3.570 . 0 0 "[ . 1]" 1 234 1 11 CYS HA 1 13 THR H 6.500 . 6.500 4.599 4.331 4.751 . 0 0 "[ . 1]" 1 235 1 11 CYS HA 1 14 THR H 6.500 . 6.500 3.845 3.489 4.139 . 0 0 "[ . 1]" 1 236 1 11 CYS HA 1 14 THR HB 6.500 . 6.500 3.394 2.569 4.201 . 0 0 "[ . 1]" 1 237 1 11 CYS HA 1 15 TYR H 6.500 . 6.500 4.293 4.005 4.582 . 0 0 "[ . 1]" 1 238 1 11 CYS QB 1 114 LEU QD 6.500 . 6.500 5.488 4.809 6.464 . 0 0 "[ . 1]" 1 239 1 11 CYS QB 1 118 LEU QB 6.500 . 6.500 6.221 5.648 6.565 0.065 6 0 "[ . 1]" 1 240 1 11 CYS HB2 1 12 LYS H 6.500 . 6.500 3.963 3.819 4.107 . 0 0 "[ . 1]" 1 241 1 11 CYS HB2 1 13 THR H 6.500 . 6.500 6.007 5.726 6.194 . 0 0 "[ . 1]" 1 242 1 11 CYS HB2 1 38 ASP HA 6.500 . 6.500 3.955 3.136 4.824 . 0 0 "[ . 1]" 1 243 1 11 CYS HB2 1 39 VAL H 6.500 . 6.500 4.644 4.106 5.177 . 0 0 "[ . 1]" 1 244 1 11 CYS HB3 1 12 LYS H 6.500 . 6.500 2.709 2.434 2.908 . 0 0 "[ . 1]" 1 245 1 11 CYS HB3 1 13 THR H 6.500 . 6.500 5.140 4.890 5.301 . 0 0 "[ . 1]" 1 246 1 11 CYS HB3 1 38 ASP HA 6.500 . 6.500 5.107 4.292 5.704 . 0 0 "[ . 1]" 1 247 1 11 CYS HB3 1 39 VAL H 6.500 . 6.500 5.972 5.459 6.392 . 0 0 "[ . 1]" 1 248 1 12 LYS H 1 12 LYS HD2 6.500 . 6.500 5.949 5.880 6.036 . 0 0 "[ . 1]" 1 249 1 12 LYS H 1 12 LYS HD3 6.500 . 6.500 4.879 4.704 5.103 . 0 0 "[ . 1]" 1 250 1 12 LYS H 1 12 LYS HE2 6.500 . 6.500 5.251 4.278 6.155 . 0 0 "[ . 1]" 1 251 1 12 LYS H 1 12 LYS HE3 6.500 . 6.500 4.951 4.217 5.533 . 0 0 "[ . 1]" 1 252 1 12 LYS H 1 13 THR H 5.500 . 5.500 2.581 2.450 2.720 . 0 0 "[ . 1]" 1 253 1 12 LYS H 1 14 THR H 6.500 . 6.500 4.183 3.956 4.647 . 0 0 "[ . 1]" 1 254 1 12 LYS H 1 39 VAL QG 6.500 . 6.500 4.469 4.287 4.617 . 0 0 "[ . 1]" 1 255 1 12 LYS HA 1 13 THR H 5.500 . 5.500 3.539 3.497 3.575 . 0 0 "[ . 1]" 1 256 1 12 LYS HA 1 14 THR H 6.500 . 6.500 4.421 4.100 4.817 . 0 0 "[ . 1]" 1 257 1 12 LYS HA 1 15 TYR H 6.500 . 6.500 3.510 3.103 3.752 . 0 0 "[ . 1]" 1 258 1 12 LYS HA 1 15 TYR HA 6.500 . 6.500 5.463 4.999 5.692 . 0 0 "[ . 1]" 1 259 1 12 LYS HA 1 15 TYR HB2 6.500 . 6.500 3.710 2.945 4.129 . 0 0 "[ . 1]" 1 260 1 12 LYS HA 1 15 TYR HB3 6.500 . 6.500 2.850 2.263 4.582 . 0 0 "[ . 1]" 1 261 1 12 LYS HA 1 16 GLU H 6.500 . 6.500 4.065 3.475 4.423 . 0 0 "[ . 1]" 1 262 1 12 LYS HB2 1 13 THR H 6.500 . 6.500 3.772 3.680 3.874 . 0 0 "[ . 1]" 1 263 1 12 LYS HB2 1 14 THR H 6.500 . 6.500 5.839 5.671 6.262 . 0 0 "[ . 1]" 1 264 1 12 LYS HB2 1 15 TYR H 6.500 . 6.500 5.795 5.573 6.001 . 0 0 "[ . 1]" 1 265 1 12 LYS HB3 1 13 THR H 6.500 . 6.500 2.551 2.365 2.869 . 0 0 "[ . 1]" 1 266 1 12 LYS HB3 1 14 THR H 6.500 . 6.500 5.045 4.849 5.390 . 0 0 "[ . 1]" 1 267 1 12 LYS HB3 1 15 TYR H 6.500 . 6.500 5.572 5.406 5.746 . 0 0 "[ . 1]" 1 268 1 12 LYS HD2 1 13 THR H 6.500 . 6.500 5.848 5.501 6.147 . 0 0 "[ . 1]" 1 269 1 12 LYS HD3 1 13 THR H 6.500 . 6.500 5.241 4.561 5.608 . 0 0 "[ . 1]" 1 270 1 12 LYS HE2 1 13 THR H 6.500 . 6.500 4.648 2.878 6.085 . 0 0 "[ . 1]" 1 271 1 12 LYS HE3 1 13 THR H 6.500 . 6.500 4.082 3.669 4.712 . 0 0 "[ . 1]" 1 272 1 12 LYS QG 1 13 THR H 6.500 . 6.500 3.839 3.673 4.322 . 0 0 "[ . 1]" 1 273 1 12 LYS QG 1 16 GLU H 6.500 . 6.500 4.079 3.410 4.512 . 0 0 "[ . 1]" 1 274 1 12 LYS HG2 1 16 GLU H 6.500 . 6.500 4.264 3.458 4.811 . 0 0 "[ . 1]" 1 275 1 12 LYS HG3 1 16 GLU H 6.500 . 6.500 5.316 4.957 6.184 . 0 0 "[ . 1]" 1 276 1 13 THR H 1 14 THR H 5.500 . 5.500 2.755 2.595 2.974 . 0 0 "[ . 1]" 1 277 1 13 THR H 1 14 THR MG 6.500 . 6.500 5.998 5.847 6.180 . 0 0 "[ . 1]" 1 278 1 13 THR H 1 15 TYR H 6.500 . 6.500 4.240 4.084 4.479 . 0 0 "[ . 1]" 1 279 1 13 THR HA 1 14 THR H 6.500 . 6.500 3.539 3.518 3.582 . 0 0 "[ . 1]" 1 280 1 13 THR HA 1 16 GLU HA 6.500 . 6.500 5.615 4.979 6.058 . 0 0 "[ . 1]" 1 281 1 13 THR HA 1 16 GLU HB2 6.500 . 6.500 3.650 2.574 5.113 . 0 0 "[ . 1]" 1 282 1 13 THR HA 1 16 GLU HB3 5.500 . 5.500 3.805 2.600 5.037 . 0 0 "[ . 1]" 1 283 1 13 THR HA 1 16 GLU HG2 6.500 . 6.500 3.799 1.926 5.359 . 0 0 "[ . 1]" 1 284 1 13 THR HA 1 16 GLU HG3 6.500 . 6.500 4.419 3.218 5.859 . 0 0 "[ . 1]" 1 285 1 13 THR HB 1 14 THR H 6.500 . 6.500 2.859 2.258 3.640 . 0 0 "[ . 1]" 1 286 1 13 THR HB 1 15 TYR H 6.500 . 6.500 5.203 4.703 5.663 . 0 0 "[ . 1]" 1 287 1 13 THR HB 1 16 GLU H 6.500 . 6.500 5.534 5.049 5.817 . 0 0 "[ . 1]" 1 288 1 13 THR HB 1 17 GLU H 6.500 . 6.500 5.881 4.913 6.520 0.020 2 0 "[ . 1]" 1 289 1 13 THR MG 1 14 THR H 6.500 . 6.500 3.765 3.422 4.061 . 0 0 "[ . 1]" 1 290 1 13 THR MG 1 16 GLU HB2 6.500 . 6.500 4.873 4.085 5.844 . 0 0 "[ . 1]" 1 291 1 13 THR MG 1 16 GLU QB 6.500 . 6.500 4.247 3.544 5.223 . 0 0 "[ . 1]" 1 292 1 13 THR MG 1 16 GLU HB3 6.500 . 6.500 4.826 3.771 5.903 . 0 0 "[ . 1]" 1 293 1 13 THR MG 1 16 GLU HG2 6.500 . 6.500 4.750 3.348 6.529 0.029 9 0 "[ . 1]" 1 294 1 13 THR MG 1 16 GLU HG3 6.500 . 6.500 5.145 3.589 6.485 . 0 0 "[ . 1]" 1 295 1 14 THR H 1 15 TYR H 6.500 . 6.500 2.630 2.521 2.833 . 0 0 "[ . 1]" 1 296 1 14 THR H 1 16 GLU H 6.500 . 6.500 4.070 3.802 4.306 . 0 0 "[ . 1]" 1 297 1 14 THR H 1 39 VAL QG 6.500 . 6.500 3.982 3.634 4.279 . 0 0 "[ . 1]" 1 298 1 14 THR HA 1 17 GLU HB2 6.500 . 6.500 3.162 2.670 3.875 . 0 0 "[ . 1]" 1 299 1 14 THR HA 1 17 GLU HB3 6.500 . 6.500 4.793 4.200 5.610 . 0 0 "[ . 1]" 1 300 1 14 THR HA 1 27 VAL MG1 6.500 . 6.500 5.297 4.403 5.984 . 0 0 "[ . 1]" 1 301 1 14 THR HA 1 27 VAL QG 6.500 . 6.500 4.442 3.679 4.746 . 0 0 "[ . 1]" 1 302 1 14 THR HA 1 27 VAL MG2 6.500 . 6.500 4.782 3.943 5.095 . 0 0 "[ . 1]" 1 303 1 14 THR HA 1 42 VAL MG1 6.500 . 6.500 4.806 4.088 6.499 . 0 0 "[ . 1]" 1 304 1 14 THR HA 1 42 VAL QG 6.500 . 6.500 4.398 3.953 4.991 . 0 0 "[ . 1]" 1 305 1 14 THR HA 1 42 VAL MG2 6.500 . 6.500 5.555 5.152 6.281 . 0 0 "[ . 1]" 1 306 1 14 THR HB 1 15 TYR H 5.500 . 5.500 2.608 2.304 2.859 . 0 0 "[ . 1]" 1 307 1 14 THR MG 1 15 TYR H 6.500 . 6.500 3.513 2.843 3.857 . 0 0 "[ . 1]" 1 308 1 14 THR MG 1 17 GLU HB2 6.500 . 6.500 3.932 3.223 4.465 . 0 0 "[ . 1]" 1 309 1 14 THR MG 1 17 GLU HB3 6.500 . 6.500 5.096 4.413 5.707 . 0 0 "[ . 1]" 1 310 1 14 THR MG 1 18 ILE HA 6.500 . 6.500 5.117 4.567 5.491 . 0 0 "[ . 1]" 1 311 1 14 THR MG 1 18 ILE HB 6.500 . 6.500 3.260 2.535 3.704 . 0 0 "[ . 1]" 1 312 1 14 THR MG 1 18 ILE MD 6.500 . 6.500 3.732 2.736 4.135 . 0 0 "[ . 1]" 1 313 1 14 THR MG 1 27 VAL HA 6.500 . 6.500 3.785 3.382 4.448 . 0 0 "[ . 1]" 1 314 1 14 THR MG 1 27 VAL HB 6.500 . 6.500 2.296 1.608 3.699 . 0 0 "[ . 1]" 1 315 1 14 THR MG 1 27 VAL MG1 6.500 . 6.500 2.469 1.887 2.976 . 0 0 "[ . 1]" 1 316 1 14 THR MG 1 27 VAL MG2 6.500 . 6.500 2.081 1.555 2.607 . 0 0 "[ . 1]" 1 317 1 14 THR MG 1 42 VAL HA 6.500 . 6.500 4.529 3.612 5.705 . 0 0 "[ . 1]" 1 318 1 15 TYR H 1 16 GLU H 6.500 . 6.500 2.684 2.556 2.968 . 0 0 "[ . 1]" 1 319 1 15 TYR H 1 17 GLU H 6.500 . 6.500 4.253 3.986 4.539 . 0 0 "[ . 1]" 1 320 1 15 TYR H 1 27 VAL HB 6.500 . 6.500 6.191 5.624 6.635 0.135 6 0 "[ . 1]" 1 321 1 15 TYR H 1 27 VAL QG 6.500 . 6.500 4.344 3.964 4.758 . 0 0 "[ . 1]" 1 322 1 15 TYR HA 1 17 GLU H 6.500 . 6.500 4.294 4.158 4.485 . 0 0 "[ . 1]" 1 323 1 15 TYR HA 1 18 ILE H 6.500 . 6.500 3.344 3.229 3.609 . 0 0 "[ . 1]" 1 324 1 15 TYR HA 1 18 ILE HA 6.500 . 6.500 5.436 5.262 5.650 . 0 0 "[ . 1]" 1 325 1 15 TYR HA 1 18 ILE HB 6.500 . 6.500 3.795 3.459 4.079 . 0 0 "[ . 1]" 1 326 1 15 TYR HA 1 18 ILE MD 6.500 . 6.500 4.170 3.980 4.406 . 0 0 "[ . 1]" 1 327 1 15 TYR HA 1 19 LYS H 6.500 . 6.500 4.027 3.790 4.369 . 0 0 "[ . 1]" 1 328 1 15 TYR HA 1 118 LEU QD 6.500 . 6.500 5.684 3.198 6.484 . 0 0 "[ . 1]" 1 329 1 15 TYR QB 1 118 LEU QD 6.500 . 6.500 4.445 1.983 5.323 . 0 0 "[ . 1]" 1 330 1 15 TYR HB2 1 16 GLU H 6.500 . 6.500 3.924 2.957 4.115 . 0 0 "[ . 1]" 1 331 1 15 TYR HB3 1 16 GLU H 6.500 . 6.500 2.845 2.662 3.556 . 0 0 "[ . 1]" 1 332 1 15 TYR HD1 1 121 VAL H 6.500 . 6.500 6.566 6.519 6.620 0.120 3 0 "[ . 1]" 1 333 1 15 TYR HE1 1 118 LEU H 6.500 . 6.500 5.736 5.462 5.928 . 0 0 "[ . 1]" 1 334 1 15 TYR HE1 1 119 VAL H 6.500 . 6.500 4.561 3.942 6.511 0.011 3 0 "[ . 1]" 1 335 1 15 TYR HE1 1 121 VAL H 6.500 . 6.500 4.971 4.565 5.789 . 0 0 "[ . 1]" 1 336 1 16 GLU H 1 17 GLU H 6.500 . 6.500 2.701 2.532 2.867 . 0 0 "[ . 1]" 1 337 1 16 GLU H 1 18 ILE H 6.500 . 6.500 4.182 4.062 4.315 . 0 0 "[ . 1]" 1 338 1 16 GLU HA 1 18 ILE H 6.500 . 6.500 4.599 4.373 4.793 . 0 0 "[ . 1]" 1 339 1 16 GLU HA 1 19 LYS H 6.500 . 6.500 3.980 3.444 4.854 . 0 0 "[ . 1]" 1 340 1 16 GLU HA 1 19 LYS HD2 6.500 . 6.500 3.608 2.320 4.712 . 0 0 "[ . 1]" 1 341 1 16 GLU HA 1 19 LYS HD3 6.500 . 6.500 3.622 2.332 4.985 . 0 0 "[ . 1]" 1 342 1 16 GLU HA 1 20 LYS H 6.500 . 6.500 4.734 4.092 5.463 . 0 0 "[ . 1]" 1 343 1 16 GLU HA 1 119 VAL QG 6.500 . 6.500 7.453 6.392 7.946 1.446 10 9 "[** *****-+]" 1 344 1 16 GLU QB 1 17 GLU H 6.500 . 6.500 2.829 2.365 3.550 . 0 0 "[ . 1]" 1 345 1 16 GLU HG2 1 17 GLU H 6.500 . 6.500 4.147 2.545 5.035 . 0 0 "[ . 1]" 1 346 1 16 GLU HG3 1 17 GLU H 6.500 . 6.500 3.650 2.557 4.380 . 0 0 "[ . 1]" 1 347 1 17 GLU H 1 18 ILE H 6.500 . 6.500 2.582 2.453 2.753 . 0 0 "[ . 1]" 1 348 1 17 GLU H 1 19 LYS H 6.500 . 6.500 4.168 3.949 4.518 . 0 0 "[ . 1]" 1 349 1 17 GLU HA 1 19 LYS H 6.500 . 6.500 4.321 4.161 4.472 . 0 0 "[ . 1]" 1 350 1 17 GLU HA 1 20 LYS H 6.500 . 6.500 3.612 3.331 3.762 . 0 0 "[ . 1]" 1 351 1 17 GLU HA 1 20 LYS HB2 6.500 . 6.500 3.317 2.904 3.674 . 0 0 "[ . 1]" 1 352 1 17 GLU HA 1 20 LYS HB3 6.500 . 6.500 4.749 2.726 5.407 . 0 0 "[ . 1]" 1 353 1 17 GLU HA 1 21 ASP H 6.500 . 6.500 3.326 3.179 3.562 . 0 0 "[ . 1]" 1 354 1 17 GLU HA 1 21 ASP HB2 5.500 . 5.500 4.430 3.838 4.753 . 0 0 "[ . 1]" 1 355 1 17 GLU HA 1 21 ASP HB3 6.500 . 6.500 3.710 3.256 4.283 . 0 0 "[ . 1]" 1 356 1 17 GLU HB2 1 18 ILE H 6.500 . 6.500 2.728 2.412 2.948 . 0 0 "[ . 1]" 1 357 1 17 GLU HB3 1 18 ILE H 6.500 . 6.500 3.561 3.008 3.827 . 0 0 "[ . 1]" 1 358 1 17 GLU HB3 1 21 ASP HA 6.500 . 6.500 6.297 5.591 6.565 0.065 7 0 "[ . 1]" 1 359 1 17 GLU QG 1 24 HIS H 6.500 . 6.500 5.872 4.545 6.560 0.060 3 0 "[ . 1]" 1 360 1 17 GLU HG2 1 18 ILE H 6.500 . 6.500 5.004 4.913 5.136 . 0 0 "[ . 1]" 1 361 1 17 GLU HG3 1 18 ILE H 6.500 . 6.500 4.507 4.173 4.930 . 0 0 "[ . 1]" 1 362 1 18 ILE H 1 19 LYS H 5.500 . 5.500 2.639 2.549 2.812 . 0 0 "[ . 1]" 1 363 1 18 ILE H 1 20 LYS H 6.500 . 6.500 4.108 3.868 4.277 . 0 0 "[ . 1]" 1 364 1 18 ILE H 1 23 LYS H 6.500 . 6.500 5.821 5.396 6.240 . 0 0 "[ . 1]" 1 365 1 18 ILE H 1 24 HIS H 6.500 . 6.500 5.158 4.803 5.502 . 0 0 "[ . 1]" 1 366 1 18 ILE H 1 24 HIS QB 6.500 . 6.500 3.933 3.695 4.147 . 0 0 "[ . 1]" 1 367 1 18 ILE HA 1 19 LYS H 6.500 . 6.500 3.504 3.460 3.550 . 0 0 "[ . 1]" 1 368 1 18 ILE HA 1 20 LYS H 6.500 . 6.500 4.155 3.968 4.244 . 0 0 "[ . 1]" 1 369 1 18 ILE HA 1 21 ASP H 6.500 . 6.500 4.019 3.792 4.187 . 0 0 "[ . 1]" 1 370 1 18 ILE HA 1 22 LYS H 6.500 . 6.500 2.525 2.279 2.735 . 0 0 "[ . 1]" 1 371 1 18 ILE HA 1 22 LYS HG2 6.500 . 6.500 5.300 5.001 5.609 . 0 0 "[ . 1]" 1 372 1 18 ILE HA 1 22 LYS HG3 6.500 . 6.500 5.281 5.026 5.680 . 0 0 "[ . 1]" 1 373 1 18 ILE HA 1 24 HIS HA 6.500 . 6.500 5.718 5.423 6.000 . 0 0 "[ . 1]" 1 374 1 18 ILE HB 1 19 LYS H 6.500 . 6.500 4.097 3.996 4.197 . 0 0 "[ . 1]" 1 375 1 18 ILE HB 1 24 HIS H 6.500 . 6.500 4.257 3.911 4.855 . 0 0 "[ . 1]" 1 376 1 18 ILE MD 1 19 LYS H 6.500 . 6.500 4.854 4.661 5.006 . 0 0 "[ . 1]" 1 377 1 18 ILE MD 1 24 HIS H 6.500 . 6.500 4.906 4.266 5.631 . 0 0 "[ . 1]" 1 378 1 18 ILE MD 1 25 ARG H 6.500 . 6.500 4.919 4.404 5.395 . 0 0 "[ . 1]" 1 379 1 18 ILE MD 1 26 TYR H 6.500 . 6.500 4.437 3.559 5.188 . 0 0 "[ . 1]" 1 380 1 18 ILE MD 1 27 VAL QG 6.500 . 6.500 2.868 2.274 3.768 . 0 0 "[ . 1]" 1 381 1 18 ILE MD 1 70 ASP H 6.500 . 6.500 2.611 2.223 3.301 . 0 0 "[ . 1]" 1 382 1 18 ILE MD 1 70 ASP HA 6.500 . 6.500 4.255 3.879 4.932 . 0 0 "[ . 1]" 1 383 1 18 ILE MD 1 70 ASP HB2 6.500 . 6.500 2.773 2.147 3.505 . 0 0 "[ . 1]" 1 384 1 18 ILE MD 1 70 ASP HB3 6.500 . 6.500 2.495 1.554 3.769 . 0 0 "[ . 1]" 1 385 1 18 ILE MD 1 89 LEU HA 6.500 . 6.500 5.024 4.373 5.710 . 0 0 "[ . 1]" 1 386 1 18 ILE MD 1 89 LEU MD1 6.500 . 6.500 4.995 4.505 6.016 . 0 0 "[ . 1]" 1 387 1 18 ILE MD 1 89 LEU MD2 6.500 . 6.500 3.277 2.642 4.451 . 0 0 "[ . 1]" 1 388 1 18 ILE QG 1 19 LYS H 6.500 . 6.500 3.967 3.792 4.070 . 0 0 "[ . 1]" 1 389 1 18 ILE QG 1 22 LYS QG 6.500 . 6.500 4.595 4.134 5.052 . 0 0 "[ . 1]" 1 390 1 18 ILE QG 1 24 HIS H 5.500 . 5.500 3.937 3.242 4.614 . 0 0 "[ . 1]" 1 391 1 18 ILE QG 1 24 HIS QB 5.000 . 5.000 3.493 2.730 4.137 . 0 0 "[ . 1]" 1 392 1 18 ILE QG 1 70 ASP H 6.500 . 6.500 4.184 3.774 4.868 . 0 0 "[ . 1]" 1 393 1 18 ILE QG 1 70 ASP HA 6.500 . 6.500 5.274 4.976 6.056 . 0 0 "[ . 1]" 1 394 1 18 ILE QG 1 70 ASP QB 5.500 . 5.500 2.669 2.303 3.393 . 0 0 "[ . 1]" 1 395 1 18 ILE HG12 1 19 LYS H 6.500 . 6.500 4.166 3.954 4.290 . 0 0 "[ . 1]" 1 396 1 18 ILE HG12 1 22 LYS HG2 6.500 . 6.500 6.117 5.618 6.528 0.028 3 0 "[ . 1]" 1 397 1 18 ILE HG12 1 22 LYS HG3 6.500 . 6.500 6.040 5.507 6.531 0.031 2 0 "[ . 1]" 1 398 1 18 ILE HG12 1 24 HIS H 6.500 . 6.500 5.584 4.941 6.228 . 0 0 "[ . 1]" 1 399 1 18 ILE HG12 1 24 HIS HB2 6.500 . 6.500 5.147 4.325 5.997 . 0 0 "[ . 1]" 1 400 1 18 ILE HG12 1 24 HIS HB3 6.500 . 6.500 6.137 5.332 6.520 0.020 9 0 "[ . 1]" 1 401 1 18 ILE HG13 1 19 LYS H 6.500 . 6.500 4.983 4.875 5.079 . 0 0 "[ . 1]" 1 402 1 18 ILE HG13 1 22 LYS HG3 6.500 . 6.500 5.381 4.750 6.074 . 0 0 "[ . 1]" 1 403 1 18 ILE HG13 1 24 HIS H 6.500 . 6.500 4.027 3.287 4.756 . 0 0 "[ . 1]" 1 404 1 18 ILE HG13 1 24 HIS HB2 5.500 . 5.500 3.735 2.835 4.616 . 0 0 "[ . 1]" 1 405 1 18 ILE HG13 1 24 HIS HB3 5.000 . 5.000 4.683 3.769 5.033 0.033 9 0 "[ . 1]" 1 406 1 18 ILE MG 1 19 LYS H 6.500 . 6.500 2.390 2.205 2.580 . 0 0 "[ . 1]" 1 407 1 18 ILE MG 1 24 HIS H 6.500 . 6.500 5.482 5.179 5.971 . 0 0 "[ . 1]" 1 408 1 18 ILE MG 1 24 HIS HA 6.500 . 6.500 6.523 6.383 6.580 0.080 5 0 "[ . 1]" 1 409 1 18 ILE MG 1 70 ASP H 6.500 . 6.500 5.451 4.954 6.180 . 0 0 "[ . 1]" 1 410 1 19 LYS H 1 19 LYS HD2 6.500 . 6.500 4.192 3.296 4.867 . 0 0 "[ . 1]" 1 411 1 19 LYS H 1 19 LYS HD3 6.500 . 6.500 4.595 4.209 4.900 . 0 0 "[ . 1]" 1 412 1 19 LYS H 1 19 LYS HE2 6.500 . 6.500 5.336 4.301 6.572 0.072 7 0 "[ . 1]" 1 413 1 19 LYS H 1 19 LYS HE3 6.500 . 6.500 4.966 3.919 6.588 0.088 7 0 "[ . 1]" 1 414 1 19 LYS H 1 19 LYS HG3 5.500 . 5.500 3.187 1.729 4.420 . 0 0 "[ . 1]" 1 415 1 19 LYS H 1 20 LYS H 6.500 . 6.500 2.468 2.407 2.551 . 0 0 "[ . 1]" 1 416 1 19 LYS H 1 21 ASP H 6.500 . 6.500 4.314 4.194 4.421 . 0 0 "[ . 1]" 1 417 1 19 LYS HA 1 20 LYS QG 6.500 . 6.500 4.996 4.694 6.345 . 0 0 "[ . 1]" 1 418 1 19 LYS HB2 1 20 LYS H 6.500 . 6.500 3.906 3.080 4.188 . 0 0 "[ . 1]" 1 419 1 19 LYS HB3 1 20 LYS H 6.500 . 6.500 3.952 2.744 4.389 . 0 0 "[ . 1]" 1 420 1 19 LYS HD2 1 20 LYS H 6.500 . 6.500 4.885 2.603 5.713 . 0 0 "[ . 1]" 1 421 1 19 LYS HD3 1 20 LYS H 6.500 . 6.500 4.933 4.030 6.010 . 0 0 "[ . 1]" 1 422 1 19 LYS QG 1 119 VAL QG 6.500 . 6.500 6.128 4.974 7.298 0.798 1 2 "[+ . -]" 1 423 1 19 LYS HG2 1 20 LYS H 6.500 . 6.500 3.347 2.542 5.181 . 0 0 "[ . 1]" 1 424 1 19 LYS HG3 1 20 LYS H 6.500 . 6.500 3.169 2.407 4.934 . 0 0 "[ . 1]" 1 425 1 20 LYS H 1 20 LYS HD2 6.500 . 6.500 4.932 4.004 6.027 . 0 0 "[ . 1]" 1 426 1 20 LYS H 1 20 LYS HD3 6.500 . 6.500 4.717 4.095 5.145 . 0 0 "[ . 1]" 1 427 1 20 LYS H 1 20 LYS QE 6.500 . 6.500 4.414 3.564 4.841 . 0 0 "[ . 1]" 1 428 1 20 LYS H 1 21 ASP H 5.500 . 5.500 2.389 2.271 2.487 . 0 0 "[ . 1]" 1 429 1 20 LYS H 1 21 ASP HA 6.500 . 6.500 5.019 4.955 5.057 . 0 0 "[ . 1]" 1 430 1 20 LYS H 1 21 ASP HB2 6.500 . 6.500 5.103 4.917 5.288 . 0 0 "[ . 1]" 1 431 1 20 LYS H 1 21 ASP HB3 6.500 . 6.500 4.755 4.563 4.988 . 0 0 "[ . 1]" 1 432 1 20 LYS H 1 22 LYS H 6.500 . 6.500 3.321 3.222 3.384 . 0 0 "[ . 1]" 1 433 1 20 LYS HA 1 22 LYS H 6.500 . 6.500 4.826 4.682 4.938 . 0 0 "[ . 1]" 1 434 1 20 LYS HB2 1 21 ASP H 6.500 . 6.500 2.514 2.292 3.655 . 0 0 "[ . 1]" 1 435 1 20 LYS HB3 1 21 ASP H 6.500 . 6.500 3.282 2.315 3.644 . 0 0 "[ . 1]" 1 436 1 20 LYS HD2 1 21 ASP H 6.500 . 6.500 5.521 4.543 6.160 . 0 0 "[ . 1]" 1 437 1 20 LYS HD3 1 21 ASP H 6.500 . 6.500 5.339 4.729 6.179 . 0 0 "[ . 1]" 1 438 1 20 LYS QE 1 21 ASP H 6.500 . 6.500 4.608 3.493 5.814 . 0 0 "[ . 1]" 1 439 1 20 LYS QG 1 21 ASP QB 6.500 . 6.500 4.920 3.422 5.235 . 0 0 "[ . 1]" 1 440 1 20 LYS HG2 1 21 ASP H 6.500 . 6.500 4.784 3.762 5.040 . 0 0 "[ . 1]" 1 441 1 20 LYS HG3 1 21 ASP H 6.500 . 6.500 4.311 4.100 4.745 . 0 0 "[ . 1]" 1 442 1 21 ASP H 1 22 LYS H 5.500 . 5.500 2.005 1.882 2.091 . 0 0 "[ . 1]" 1 443 1 21 ASP H 1 22 LYS HA 6.500 . 6.500 4.208 4.075 4.305 . 0 0 "[ . 1]" 1 444 1 21 ASP H 1 23 LYS H 6.500 . 6.500 4.309 4.028 4.497 . 0 0 "[ . 1]" 1 445 1 21 ASP HB2 1 22 LYS H 6.500 . 6.500 4.018 3.891 4.154 . 0 0 "[ . 1]" 1 446 1 21 ASP HB3 1 22 LYS H 6.500 . 6.500 2.929 2.774 3.186 . 0 0 "[ . 1]" 1 447 1 22 LYS H 1 22 LYS HD2 6.500 . 6.500 5.540 5.284 5.728 . 0 0 "[ . 1]" 1 448 1 22 LYS H 1 22 LYS HD3 6.500 . 6.500 5.622 5.036 6.069 . 0 0 "[ . 1]" 1 449 1 22 LYS H 1 22 LYS HE2 6.500 . 6.500 6.427 6.060 6.644 0.144 3 0 "[ . 1]" 1 450 1 22 LYS H 1 22 LYS HE3 6.500 . 6.500 6.171 5.491 6.615 0.115 3 0 "[ . 1]" 1 451 1 22 LYS H 1 23 LYS H 6.500 . 6.500 2.950 2.836 3.050 . 0 0 "[ . 1]" 1 452 1 22 LYS HA 1 23 LYS H 5.500 . 5.500 3.004 2.877 3.099 . 0 0 "[ . 1]" 1 453 1 22 LYS HB2 1 23 LYS H 6.500 . 6.500 4.533 4.501 4.578 . 0 0 "[ . 1]" 1 454 1 22 LYS HB3 1 23 LYS H 6.500 . 6.500 4.603 4.447 4.650 . 0 0 "[ . 1]" 1 455 1 22 LYS QD 1 71 PHE QB 6.500 . 6.500 6.375 5.987 6.589 0.089 7 0 "[ . 1]" 1 456 1 22 LYS HE2 1 23 LYS HD2 6.500 . 6.500 6.105 5.130 6.598 0.098 1 0 "[ . 1]" 1 457 1 22 LYS HE2 1 23 LYS HD3 6.500 . 6.500 5.749 3.876 6.403 . 0 0 "[ . 1]" 1 458 1 22 LYS HE3 1 23 LYS HD2 6.500 . 6.500 6.107 5.364 6.513 0.013 3 0 "[ . 1]" 1 459 1 22 LYS HE3 1 23 LYS HD3 6.500 . 6.500 5.627 4.484 6.548 0.048 10 0 "[ . 1]" 1 460 1 22 LYS HG2 1 23 LYS H 6.500 . 6.500 4.466 4.239 4.777 . 0 0 "[ . 1]" 1 461 1 22 LYS HG2 1 23 LYS HD2 6.500 . 6.500 5.832 4.794 6.565 0.065 7 0 "[ . 1]" 1 462 1 22 LYS HG2 1 23 LYS HD3 6.500 . 6.500 4.979 4.477 5.802 . 0 0 "[ . 1]" 1 463 1 22 LYS HG3 1 23 LYS H 6.500 . 6.500 3.987 3.698 4.348 . 0 0 "[ . 1]" 1 464 1 22 LYS HG3 1 23 LYS HD2 6.500 . 6.500 4.808 3.646 5.751 . 0 0 "[ . 1]" 1 465 1 22 LYS HG3 1 23 LYS HD3 6.500 . 6.500 4.111 3.659 5.458 . 0 0 "[ . 1]" 1 466 1 23 LYS H 1 23 LYS HD2 6.500 . 6.500 4.507 3.400 5.432 . 0 0 "[ . 1]" 1 467 1 23 LYS H 1 23 LYS HD3 6.500 . 6.500 3.451 2.461 5.207 . 0 0 "[ . 1]" 1 468 1 23 LYS H 1 23 LYS HE2 6.500 . 6.500 4.872 3.874 5.497 . 0 0 "[ . 1]" 1 469 1 23 LYS H 1 23 LYS HE3 6.500 . 6.500 4.056 2.578 6.217 . 0 0 "[ . 1]" 1 470 1 23 LYS H 1 24 HIS H 5.500 . 5.500 2.471 2.227 2.620 . 0 0 "[ . 1]" 1 471 1 23 LYS HA 1 24 HIS H 5.500 . 5.500 3.377 3.095 3.524 . 0 0 "[ . 1]" 1 472 1 23 LYS HB2 1 24 HIS H 6.500 . 6.500 3.473 2.933 3.997 . 0 0 "[ . 1]" 1 473 1 23 LYS HB3 1 24 HIS H 6.500 . 6.500 3.525 3.196 4.352 . 0 0 "[ . 1]" 1 474 1 23 LYS QD 1 24 HIS HA 6.500 . 6.500 6.045 5.660 6.484 . 0 0 "[ . 1]" 1 475 1 23 LYS HG2 1 24 HIS H 6.500 . 6.500 5.381 4.835 5.868 . 0 0 "[ . 1]" 1 476 1 23 LYS HG3 1 24 HIS H 6.500 . 6.500 5.114 4.948 5.354 . 0 0 "[ . 1]" 1 477 1 24 HIS H 1 24 HIS HD2 6.500 . 6.500 3.282 2.237 5.157 . 0 0 "[ . 1]" 1 478 1 24 HIS H 1 25 ARG H 6.500 . 6.500 3.976 3.477 4.547 . 0 0 "[ . 1]" 1 479 1 24 HIS H 1 25 ARG HA 6.500 . 6.500 4.785 4.144 5.188 . 0 0 "[ . 1]" 1 480 1 24 HIS QB 1 27 VAL QG 6.500 . 6.500 3.562 1.827 4.372 . 0 0 "[ . 1]" 1 481 1 24 HIS HB2 1 25 ARG H 6.500 . 6.500 4.401 4.240 4.484 . 0 0 "[ . 1]" 1 482 1 24 HIS HB2 1 26 TYR H 6.500 . 6.500 5.256 4.763 5.901 . 0 0 "[ . 1]" 1 483 1 24 HIS HB2 1 27 VAL MG1 6.500 . 6.500 5.360 5.029 5.845 . 0 0 "[ . 1]" 1 484 1 24 HIS HB2 1 27 VAL MG2 6.500 . 6.500 5.221 3.044 6.516 0.016 7 0 "[ . 1]" 1 485 1 24 HIS HB3 1 25 ARG H 6.500 . 6.500 3.904 3.193 4.318 . 0 0 "[ . 1]" 1 486 1 24 HIS HB3 1 26 TYR H 6.500 . 6.500 4.146 3.672 4.953 . 0 0 "[ . 1]" 1 487 1 24 HIS HB3 1 27 VAL MG1 6.500 . 6.500 4.640 3.925 5.188 . 0 0 "[ . 1]" 1 488 1 24 HIS HB3 1 27 VAL MG2 6.500 . 6.500 4.330 1.843 5.571 . 0 0 "[ . 1]" 1 489 1 25 ARG H 1 25 ARG HD2 6.500 . 6.500 4.692 3.515 5.368 . 0 0 "[ . 1]" 1 490 1 25 ARG H 1 25 ARG HD3 6.500 . 6.500 4.398 3.339 5.127 . 0 0 "[ . 1]" 1 491 1 25 ARG H 1 26 TYR H 6.500 . 6.500 2.695 2.159 3.053 . 0 0 "[ . 1]" 1 492 1 25 ARG H 1 45 ARG HA 6.500 . 6.500 4.978 4.101 5.926 . 0 0 "[ . 1]" 1 493 1 25 ARG HB2 1 26 TYR H 6.500 . 6.500 3.692 2.732 4.209 . 0 0 "[ . 1]" 1 494 1 25 ARG HB2 1 70 ASP H 6.500 . 6.500 5.799 2.917 6.524 0.024 3 0 "[ . 1]" 1 495 1 25 ARG HB3 1 26 TYR H 6.500 . 6.500 2.845 2.153 4.542 . 0 0 "[ . 1]" 1 496 1 25 ARG HB3 1 47 ALA MB 6.500 . 6.500 5.570 4.368 6.626 0.126 9 0 "[ . 1]" 1 497 1 25 ARG HB3 1 70 ASP H 6.500 . 6.500 5.501 4.357 6.249 . 0 0 "[ . 1]" 1 498 1 25 ARG QD 1 71 PHE QB 6.500 . 6.500 3.573 2.594 4.694 . 0 0 "[ . 1]" 1 499 1 25 ARG HD2 1 26 TYR H 6.500 . 6.500 5.280 4.061 6.140 . 0 0 "[ . 1]" 1 500 1 25 ARG HD3 1 26 TYR H 6.500 . 6.500 4.830 3.086 5.605 . 0 0 "[ . 1]" 1 501 1 25 ARG HG2 1 26 TYR H 6.500 . 6.500 4.369 3.456 5.049 . 0 0 "[ . 1]" 1 502 1 25 ARG HG2 1 45 ARG HA 6.500 . 6.500 3.643 2.138 5.305 . 0 0 "[ . 1]" 1 503 1 25 ARG HG2 1 70 ASP H 6.500 . 6.500 5.170 3.771 6.514 0.014 7 0 "[ . 1]" 1 504 1 25 ARG HG3 1 26 TYR H 6.500 . 6.500 4.509 3.592 5.075 . 0 0 "[ . 1]" 1 505 1 25 ARG HG3 1 45 ARG HA 6.500 . 6.500 4.007 1.994 5.177 . 0 0 "[ . 1]" 1 506 1 25 ARG HG3 1 70 ASP H 6.500 . 6.500 4.887 4.066 6.513 0.013 8 0 "[ . 1]" 1 507 1 26 TYR H 1 27 VAL H 6.500 . 6.500 4.250 4.021 4.360 . 0 0 "[ . 1]" 1 508 1 26 TYR H 1 42 VAL QG 6.500 . 6.500 4.974 3.853 5.531 . 0 0 "[ . 1]" 1 509 1 26 TYR H 1 43 ALA H 6.500 . 6.500 3.442 3.113 3.994 . 0 0 "[ . 1]" 1 510 1 26 TYR H 1 43 ALA HA 6.500 . 6.500 5.171 4.825 5.810 . 0 0 "[ . 1]" 1 511 1 26 TYR H 1 43 ALA MB 6.500 . 6.500 3.716 3.036 4.706 . 0 0 "[ . 1]" 1 512 1 26 TYR H 1 43 ALA O 4.500 . 4.500 2.371 1.929 3.139 . 0 0 "[ . 1]" 1 513 1 26 TYR H 1 44 ASP QB 6.500 . 6.500 5.315 4.668 5.603 . 0 0 "[ . 1]" 1 514 1 26 TYR HA 1 44 ASP HA 6.500 . 6.500 6.509 5.896 6.660 0.160 5 0 "[ . 1]" 1 515 1 26 TYR HA 1 68 LEU H 6.500 . 6.500 4.816 4.513 5.107 . 0 0 "[ . 1]" 1 516 1 26 TYR HA 1 69 PHE HA 6.500 . 6.500 2.616 2.319 2.866 . 0 0 "[ . 1]" 1 517 1 26 TYR HA 1 70 ASP H 6.500 . 6.500 3.636 3.332 3.913 . 0 0 "[ . 1]" 1 518 1 26 TYR QB 1 44 ASP HA 6.500 . 6.500 5.642 4.685 6.374 . 0 0 "[ . 1]" 1 519 1 26 TYR QB 1 70 ASP H 6.500 . 6.500 4.356 3.489 5.077 . 0 0 "[ . 1]" 1 520 1 26 TYR HB2 1 27 VAL H 6.500 . 6.500 3.544 2.547 4.382 . 0 0 "[ . 1]" 1 521 1 26 TYR HB2 1 70 ASP H 6.500 . 6.500 5.019 4.275 5.356 . 0 0 "[ . 1]" 1 522 1 26 TYR HB3 1 27 VAL H 6.500 . 6.500 4.029 3.819 4.304 . 0 0 "[ . 1]" 1 523 1 26 TYR HB3 1 70 ASP H 6.500 . 6.500 5.200 3.595 6.531 0.031 8 0 "[ . 1]" 1 524 1 26 TYR HD2 1 43 ALA H 6.500 . 6.500 4.661 3.672 5.822 . 0 0 "[ . 1]" 1 525 1 26 TYR N 1 43 ALA O 4.500 . 4.500 3.335 2.909 4.040 . 0 0 "[ . 1]" 1 526 1 26 TYR O 1 43 ALA H 4.000 . 4.000 2.040 1.678 2.541 . 0 0 "[ . 1]" 1 527 1 26 TYR O 1 43 ALA N 4.500 . 4.500 2.999 2.628 3.508 . 0 0 "[ . 1]" 1 528 1 27 VAL H 1 28 ILE H 6.500 . 6.500 4.309 4.118 4.464 . 0 0 "[ . 1]" 1 529 1 27 VAL H 1 68 LEU H 6.500 . 6.500 3.143 2.813 3.525 . 0 0 "[ . 1]" 1 530 1 27 VAL H 1 68 LEU O 4.500 . 4.500 2.237 1.930 2.625 . 0 0 "[ . 1]" 1 531 1 27 VAL H 1 69 PHE HA 6.500 . 6.500 3.871 3.514 4.146 . 0 0 "[ . 1]" 1 532 1 27 VAL H 1 69 PHE HB2 6.500 . 6.500 5.188 4.801 5.776 . 0 0 "[ . 1]" 1 533 1 27 VAL HA 1 28 ILE H 5.500 . 5.500 2.143 2.118 2.174 . 0 0 "[ . 1]" 1 534 1 27 VAL HA 1 42 VAL HA 5.500 . 5.500 2.466 2.169 2.714 . 0 0 "[ . 1]" 1 535 1 27 VAL HA 1 42 VAL HB 6.500 . 6.500 3.898 3.504 4.411 . 0 0 "[ . 1]" 1 536 1 27 VAL HA 1 42 VAL MG1 6.500 . 6.500 3.068 1.857 4.799 . 0 0 "[ . 1]" 1 537 1 27 VAL HA 1 42 VAL QG 6.500 . 6.500 2.620 1.856 3.323 . 0 0 "[ . 1]" 1 538 1 27 VAL HA 1 42 VAL MG2 6.500 . 6.500 4.413 2.594 5.209 . 0 0 "[ . 1]" 1 539 1 27 VAL HA 1 43 ALA H 6.500 . 6.500 3.390 2.855 4.061 . 0 0 "[ . 1]" 1 540 1 27 VAL HB 1 28 ILE H 6.500 . 6.500 4.123 4.000 4.226 . 0 0 "[ . 1]" 1 541 1 27 VAL HB 1 42 VAL HA 6.500 . 6.500 4.434 3.615 5.614 . 0 0 "[ . 1]" 1 542 1 27 VAL HB 1 42 VAL MG1 6.500 . 6.500 3.632 2.145 6.528 0.028 6 0 "[ . 1]" 1 543 1 27 VAL HB 1 42 VAL QG 6.500 . 6.500 3.177 2.142 4.418 . 0 0 "[ . 1]" 1 544 1 27 VAL HB 1 42 VAL MG2 6.500 . 6.500 5.220 4.240 6.618 0.118 4 0 "[ . 1]" 1 545 1 27 VAL HB 1 43 ALA H 6.500 . 6.500 5.170 4.352 6.510 0.010 10 0 "[ . 1]" 1 546 1 27 VAL HB 1 68 LEU H 6.500 . 6.500 4.530 3.226 5.155 . 0 0 "[ . 1]" 1 547 1 27 VAL HB 1 68 LEU HB2 6.500 . 6.500 5.787 4.227 6.528 0.028 5 0 "[ . 1]" 1 548 1 27 VAL HB 1 68 LEU HB3 6.500 . 6.500 4.314 2.935 5.049 . 0 0 "[ . 1]" 1 549 1 27 VAL QG 1 29 PHE HA 6.500 . 6.500 3.827 3.618 4.021 . 0 0 "[ . 1]" 1 550 1 27 VAL QG 1 41 THR H 6.500 . 6.500 4.242 3.879 4.618 . 0 0 "[ . 1]" 1 551 1 27 VAL QG 1 41 THR MG 6.500 . 6.500 5.146 4.923 5.595 . 0 0 "[ . 1]" 1 552 1 27 VAL QG 1 42 VAL QG 6.500 . 6.500 1.976 1.534 2.406 . 0 0 "[ . 1]" 1 553 1 27 VAL QG 1 43 ALA H 6.500 . 6.500 4.406 3.432 5.021 . 0 0 "[ . 1]" 1 554 1 27 VAL QG 1 68 LEU HA 6.500 . 6.500 4.558 4.016 5.787 . 0 0 "[ . 1]" 1 555 1 27 VAL QG 1 68 LEU QB 6.500 . 6.500 2.556 1.873 3.903 . 0 0 "[ . 1]" 1 556 1 27 VAL MG1 1 28 ILE H 6.500 . 6.500 3.688 2.619 4.214 . 0 0 "[ . 1]" 1 557 1 27 VAL MG1 1 43 ALA H 6.500 . 6.500 5.255 4.342 5.861 . 0 0 "[ . 1]" 1 558 1 27 VAL MG1 1 68 LEU H 6.500 . 6.500 2.913 1.841 4.499 . 0 0 "[ . 1]" 1 559 1 27 VAL MG2 1 28 ILE H 6.500 . 6.500 3.112 2.498 4.133 . 0 0 "[ . 1]" 1 560 1 27 VAL MG2 1 43 ALA H 6.500 . 6.500 4.738 3.596 5.497 . 0 0 "[ . 1]" 1 561 1 27 VAL MG2 1 68 LEU H 6.500 . 6.500 4.179 3.880 4.773 . 0 0 "[ . 1]" 1 562 1 27 VAL N 1 68 LEU O 4.500 . 4.500 3.176 2.910 3.601 . 0 0 "[ . 1]" 1 563 1 27 VAL O 1 68 LEU H 4.500 . 4.500 2.323 1.961 3.240 . 0 0 "[ . 1]" 1 564 1 27 VAL O 1 68 LEU N 4.500 . 4.500 3.167 2.889 3.783 . 0 0 "[ . 1]" 1 565 1 28 ILE H 1 29 PHE H 6.500 . 6.500 4.347 4.262 4.428 . 0 0 "[ . 1]" 1 566 1 28 ILE H 1 41 THR H 6.500 . 6.500 3.673 3.291 4.022 . 0 0 "[ . 1]" 1 567 1 28 ILE H 1 41 THR HA 6.500 . 6.500 4.925 4.747 5.059 . 0 0 "[ . 1]" 1 568 1 28 ILE H 1 41 THR HB 6.500 . 6.500 3.548 3.148 3.883 . 0 0 "[ . 1]" 1 569 1 28 ILE H 1 41 THR MG 6.500 . 6.500 4.047 3.801 4.421 . 0 0 "[ . 1]" 1 570 1 28 ILE H 1 41 THR O 4.000 . 4.000 1.788 1.670 1.853 . 0 0 "[ . 1]" 1 571 1 28 ILE H 1 42 VAL HA 6.500 . 6.500 3.034 2.588 3.523 . 0 0 "[ . 1]" 1 572 1 28 ILE H 1 42 VAL HB 6.500 . 6.500 4.962 3.773 5.623 . 0 0 "[ . 1]" 1 573 1 28 ILE H 1 43 ALA H 6.500 . 6.500 4.579 3.917 5.375 . 0 0 "[ . 1]" 1 574 1 28 ILE HA 1 29 PHE H 5.500 . 5.500 2.112 2.099 2.131 . 0 0 "[ . 1]" 1 575 1 28 ILE HA 1 41 THR HB 6.500 . 6.500 4.674 4.362 5.049 . 0 0 "[ . 1]" 1 576 1 28 ILE HA 1 41 THR MG 6.500 . 6.500 5.467 5.079 5.902 . 0 0 "[ . 1]" 1 577 1 28 ILE HA 1 42 VAL QG 6.500 . 6.500 5.628 5.000 6.053 . 0 0 "[ . 1]" 1 578 1 28 ILE HA 1 56 ILE MG 6.500 . 6.500 5.510 4.637 6.463 . 0 0 "[ . 1]" 1 579 1 28 ILE HA 1 67 GLY HA2 6.500 . 6.500 2.759 2.343 3.964 . 0 0 "[ . 1]" 1 580 1 28 ILE HA 1 67 GLY QA 5.500 . 5.500 2.569 2.167 3.015 . 0 0 "[ . 1]" 1 581 1 28 ILE HA 1 67 GLY HA3 6.500 . 6.500 3.355 2.488 4.046 . 0 0 "[ . 1]" 1 582 1 28 ILE HA 1 68 LEU H 6.500 . 6.500 4.201 3.682 5.196 . 0 0 "[ . 1]" 1 583 1 28 ILE HB 1 29 PHE H 6.500 . 6.500 4.316 4.203 4.392 . 0 0 "[ . 1]" 1 584 1 28 ILE HB 1 41 THR H 6.500 . 6.500 2.979 2.447 3.539 . 0 0 "[ . 1]" 1 585 1 28 ILE HB 1 56 ILE MG 6.500 . 6.500 4.977 3.852 6.387 . 0 0 "[ . 1]" 1 586 1 28 ILE MD 1 29 PHE H 6.500 . 6.500 4.523 3.334 4.923 . 0 0 "[ . 1]" 1 587 1 28 ILE MD 1 56 ILE H 6.500 . 6.500 5.902 5.418 6.265 . 0 0 "[ . 1]" 1 588 1 28 ILE QG 1 56 ILE QG 5.500 . 5.500 3.896 2.682 5.178 . 0 0 "[ . 1]" 1 589 1 28 ILE HG12 1 29 PHE H 6.500 . 6.500 5.241 4.912 5.426 . 0 0 "[ . 1]" 1 590 1 28 ILE HG12 1 56 ILE HB 6.500 . 6.500 5.205 3.944 5.944 . 0 0 "[ . 1]" 1 591 1 28 ILE HG12 1 56 ILE MG 6.500 . 6.500 3.559 2.138 4.937 . 0 0 "[ . 1]" 1 592 1 28 ILE HG13 1 29 PHE H 6.500 . 6.500 4.521 3.872 5.455 . 0 0 "[ . 1]" 1 593 1 28 ILE HG13 1 56 ILE HB 6.500 . 6.500 5.637 4.090 6.527 0.027 1 0 "[ . 1]" 1 594 1 28 ILE HG13 1 56 ILE MG 6.500 . 6.500 3.911 2.094 5.360 . 0 0 "[ . 1]" 1 595 1 28 ILE MG 1 29 PHE H 6.500 . 6.500 2.870 2.680 2.998 . 0 0 "[ . 1]" 1 596 1 28 ILE MG 1 30 TYR H 6.500 . 6.500 4.344 3.748 4.620 . 0 0 "[ . 1]" 1 597 1 28 ILE MG 1 41 THR H 6.500 . 6.500 3.557 3.207 3.902 . 0 0 "[ . 1]" 1 598 1 28 ILE MG 1 42 VAL QG 6.500 . 6.500 5.421 4.971 5.793 . 0 0 "[ . 1]" 1 599 1 28 ILE MG 1 56 ILE H 6.500 . 6.500 6.036 5.421 6.523 0.023 9 0 "[ . 1]" 1 600 1 28 ILE MG 1 56 ILE MG 6.500 . 6.500 3.237 2.257 3.792 . 0 0 "[ . 1]" 1 601 1 28 ILE MG 1 65 ARG H 6.500 . 6.500 5.276 4.193 5.904 . 0 0 "[ . 1]" 1 602 1 28 ILE MG 1 66 TYR H 6.500 . 6.500 3.646 3.258 4.022 . 0 0 "[ . 1]" 1 603 1 28 ILE N 1 41 THR O 4.500 . 4.500 2.720 2.648 2.793 . 0 0 "[ . 1]" 1 604 1 28 ILE O 1 41 THR H 4.500 . 4.500 2.580 2.257 2.767 . 0 0 "[ . 1]" 1 605 1 28 ILE O 1 41 THR N 4.500 . 4.500 3.513 3.117 3.714 . 0 0 "[ . 1]" 1 606 1 29 PHE H 1 29 PHE QE 6.500 . 6.500 4.345 4.170 4.601 . 0 0 "[ . 1]" 1 607 1 29 PHE H 1 66 TYR H 6.500 . 6.500 3.207 2.884 3.738 . 0 0 "[ . 1]" 1 608 1 29 PHE H 1 66 TYR HB2 6.500 . 6.500 4.029 2.864 5.286 . 0 0 "[ . 1]" 1 609 1 29 PHE H 1 66 TYR QB 6.500 . 6.500 3.874 2.831 4.897 . 0 0 "[ . 1]" 1 610 1 29 PHE H 1 66 TYR HB3 6.500 . 6.500 5.160 4.150 5.885 . 0 0 "[ . 1]" 1 611 1 29 PHE H 1 66 TYR O 4.000 . 4.000 1.723 1.645 1.876 . 0 0 "[ . 1]" 1 612 1 29 PHE H 1 67 GLY HA2 6.500 . 6.500 3.065 2.698 3.492 . 0 0 "[ . 1]" 1 613 1 29 PHE H 1 67 GLY QA 6.500 . 6.500 2.980 2.632 3.428 . 0 0 "[ . 1]" 1 614 1 29 PHE H 1 67 GLY HA3 6.500 . 6.500 4.188 3.505 4.987 . 0 0 "[ . 1]" 1 615 1 29 PHE HA 1 30 TYR H 5.500 . 5.500 2.201 2.115 2.277 . 0 0 "[ . 1]" 1 616 1 29 PHE HA 1 39 VAL H 6.500 . 6.500 4.770 4.642 4.946 . 0 0 "[ . 1]" 1 617 1 29 PHE HA 1 39 VAL HA 5.500 . 5.500 2.237 2.058 2.474 . 0 0 "[ . 1]" 1 618 1 29 PHE HA 1 39 VAL QG 6.500 . 6.500 2.823 2.585 3.016 . 0 0 "[ . 1]" 1 619 1 29 PHE HA 1 41 THR H 6.500 . 6.500 4.564 3.872 4.923 . 0 0 "[ . 1]" 1 620 1 29 PHE HA 1 114 LEU QD 6.500 . 6.500 5.618 5.128 6.516 0.016 7 0 "[ . 1]" 1 621 1 29 PHE QB 1 30 TYR H 6.500 . 6.500 2.948 2.706 3.237 . 0 0 "[ . 1]" 1 622 1 29 PHE QB 1 41 THR H 6.500 . 6.500 6.317 5.757 6.581 0.081 7 0 "[ . 1]" 1 623 1 29 PHE QB 1 66 TYR H 6.500 . 6.500 3.028 2.573 3.593 . 0 0 "[ . 1]" 1 624 1 29 PHE QB 1 114 LEU QD 6.500 . 6.500 3.288 2.747 4.000 . 0 0 "[ . 1]" 1 625 1 29 PHE HB2 1 30 TYR H 6.500 . 6.500 3.925 3.681 4.130 . 0 0 "[ . 1]" 1 626 1 29 PHE HB2 1 66 TYR H 6.500 . 6.500 3.075 2.606 3.660 . 0 0 "[ . 1]" 1 627 1 29 PHE HB3 1 30 TYR H 6.500 . 6.500 3.048 2.774 3.392 . 0 0 "[ . 1]" 1 628 1 29 PHE HB3 1 66 TYR H 6.500 . 6.500 4.531 3.983 5.233 . 0 0 "[ . 1]" 1 629 1 29 PHE QD 1 39 VAL H 6.500 . 6.500 4.806 4.417 5.040 . 0 0 "[ . 1]" 1 630 1 29 PHE QD 1 40 GLU H 6.500 . 6.500 5.310 5.031 5.539 . 0 0 "[ . 1]" 1 631 1 29 PHE QD 1 66 TYR H 6.500 . 6.500 4.055 3.873 4.267 . 0 0 "[ . 1]" 1 632 1 29 PHE QD 1 68 LEU H 6.500 . 6.500 3.529 3.263 4.039 . 0 0 "[ . 1]" 1 633 1 29 PHE QE 1 66 TYR H 6.500 . 6.500 6.259 6.111 6.387 . 0 0 "[ . 1]" 1 634 1 29 PHE QE 1 68 LEU H 6.500 . 6.500 2.239 1.726 2.490 . 0 0 "[ . 1]" 1 635 1 29 PHE N 1 66 TYR O 4.500 . 4.500 2.672 2.613 2.776 . 0 0 "[ . 1]" 1 636 1 29 PHE O 1 66 TYR H 4.000 . 4.000 2.147 1.798 2.871 . 0 0 "[ . 1]" 1 637 1 29 PHE O 1 66 TYR N 4.500 . 4.500 3.044 2.759 3.719 . 0 0 "[ . 1]" 1 638 1 30 TYR H 1 31 ILE H 6.500 . 6.500 4.456 4.430 4.481 . 0 0 "[ . 1]" 1 639 1 30 TYR H 1 38 ASP H 6.500 . 6.500 3.283 2.913 3.599 . 0 0 "[ . 1]" 1 640 1 30 TYR H 1 38 ASP HA 6.500 . 6.500 4.721 4.489 4.934 . 0 0 "[ . 1]" 1 641 1 30 TYR H 1 38 ASP QB 6.500 . 6.500 3.354 2.973 3.524 . 0 0 "[ . 1]" 1 642 1 30 TYR H 1 38 ASP O 4.000 . 4.000 1.886 1.736 2.105 . 0 0 "[ . 1]" 1 643 1 30 TYR H 1 39 VAL HA 6.500 . 6.500 2.969 2.756 3.311 . 0 0 "[ . 1]" 1 644 1 30 TYR H 1 39 VAL HB 6.500 . 6.500 5.769 5.615 5.990 . 0 0 "[ . 1]" 1 645 1 30 TYR H 1 39 VAL QG 6.500 . 6.500 3.968 3.817 4.144 . 0 0 "[ . 1]" 1 646 1 30 TYR H 1 40 GLU HA 6.500 . 6.500 5.859 5.368 6.286 . 0 0 "[ . 1]" 1 647 1 30 TYR H 1 40 GLU HB2 6.500 . 6.500 4.723 3.840 5.486 . 0 0 "[ . 1]" 1 648 1 30 TYR H 1 40 GLU HB3 6.500 . 6.500 6.072 5.402 6.518 0.018 2 0 "[ . 1]" 1 649 1 30 TYR H 1 40 GLU HG2 6.500 . 6.500 5.047 4.787 5.275 . 0 0 "[ . 1]" 1 650 1 30 TYR H 1 40 GLU HG3 6.500 . 6.500 3.444 3.165 3.695 . 0 0 "[ . 1]" 1 651 1 30 TYR HA 1 40 GLU HG2 6.500 . 6.500 6.527 6.231 6.639 0.139 10 0 "[ . 1]" 1 652 1 30 TYR HA 1 40 GLU HG3 6.500 . 6.500 4.888 4.841 4.974 . 0 0 "[ . 1]" 1 653 1 30 TYR HA 1 66 TYR H 6.500 . 6.500 3.876 3.470 4.803 . 0 0 "[ . 1]" 1 654 1 30 TYR HB2 1 31 ILE H 6.500 . 6.500 4.000 3.820 4.280 . 0 0 "[ . 1]" 1 655 1 30 TYR HB2 1 66 TYR H 6.500 . 6.500 5.640 5.044 6.604 0.104 3 0 "[ . 1]" 1 656 1 30 TYR HB3 1 31 ILE H 6.500 . 6.500 3.620 3.048 4.157 . 0 0 "[ . 1]" 1 657 1 30 TYR N 1 38 ASP O 4.500 . 4.500 2.759 2.664 2.910 . 0 0 "[ . 1]" 1 658 1 30 TYR O 1 38 ASP H 4.500 . 4.500 2.179 1.877 2.425 . 0 0 "[ . 1]" 1 659 1 30 TYR O 1 38 ASP N 4.500 . 4.500 2.915 2.725 3.082 . 0 0 "[ . 1]" 1 660 1 31 ILE H 1 32 ARG H 6.500 . 6.500 4.264 4.173 4.455 . 0 0 "[ . 1]" 1 661 1 31 ILE H 1 65 ARG HA 6.500 . 6.500 4.380 3.746 5.257 . 0 0 "[ . 1]" 1 662 1 31 ILE HA 1 37 ILE H 6.500 . 6.500 5.386 4.967 5.569 . 0 0 "[ . 1]" 1 663 1 31 ILE HA 1 38 ASP H 6.500 . 6.500 3.568 3.235 3.747 . 0 0 "[ . 1]" 1 664 1 31 ILE HA 1 106 LEU QD 6.500 . 6.500 5.135 4.568 6.503 0.003 3 0 "[ . 1]" 1 665 1 31 ILE HA 1 107 TYR HA 6.500 . 6.500 6.276 5.949 6.605 0.105 4 0 "[ . 1]" 1 666 1 31 ILE HB 1 32 ARG H 6.500 . 6.500 4.392 4.333 4.449 . 0 0 "[ . 1]" 1 667 1 31 ILE HB 1 38 ASP QB 6.500 . 6.500 6.167 6.118 6.261 . 0 0 "[ . 1]" 1 668 1 31 ILE HB 1 38 ASP HB3 6.500 . 6.500 6.623 6.537 6.715 0.215 10 0 "[ . 1]" 1 669 1 31 ILE MD 1 32 ARG H 6.500 . 6.500 2.989 2.653 4.450 . 0 0 "[ . 1]" 1 670 1 31 ILE MD 1 106 LEU H 6.500 . 6.500 6.128 4.303 6.534 0.034 7 0 "[ . 1]" 1 671 1 31 ILE MD 1 106 LEU MD1 6.500 . 6.500 3.628 2.684 5.019 . 0 0 "[ . 1]" 1 672 1 31 ILE MD 1 106 LEU QD 6.500 . 6.500 3.414 2.607 4.484 . 0 0 "[ . 1]" 1 673 1 31 ILE MD 1 106 LEU MD2 6.500 . 6.500 4.549 3.535 5.049 . 0 0 "[ . 1]" 1 674 1 31 ILE MD 1 107 TYR H 6.500 . 6.500 5.022 3.233 5.530 . 0 0 "[ . 1]" 1 675 1 31 ILE MD 1 108 SER H 6.500 . 6.500 6.012 4.562 6.500 . 0 0 "[ . 1]" 1 676 1 31 ILE MD 1 110 SER H 6.500 . 6.500 4.001 3.781 4.184 . 0 0 "[ . 1]" 1 677 1 31 ILE MD 1 110 SER QB 6.500 . 6.500 2.407 1.913 3.137 . 0 0 "[ . 1]" 1 678 1 31 ILE QG 1 37 ILE H 6.500 . 6.500 5.950 5.247 6.412 . 0 0 "[ . 1]" 1 679 1 31 ILE QG 1 38 ASP H 6.500 . 6.500 5.849 4.731 6.123 . 0 0 "[ . 1]" 1 680 1 31 ILE QG 1 106 LEU H 6.500 . 6.500 5.651 4.867 6.382 . 0 0 "[ . 1]" 1 681 1 31 ILE QG 1 106 LEU QD 6.500 . 6.500 2.453 1.752 3.654 . 0 0 "[ . 1]" 1 682 1 31 ILE QG 1 108 SER H 6.500 . 6.500 6.387 5.855 6.680 0.180 1 0 "[ . 1]" 1 683 1 31 ILE HG12 1 32 ARG H 6.500 . 6.500 4.785 3.126 5.077 . 0 0 "[ . 1]" 1 684 1 31 ILE HG12 1 106 LEU HA 6.500 . 6.500 4.927 3.853 5.920 . 0 0 "[ . 1]" 1 685 1 31 ILE HG12 1 106 LEU MD1 6.500 . 6.500 2.651 1.769 4.093 . 0 0 "[ . 1]" 1 686 1 31 ILE HG12 1 106 LEU MD2 6.500 . 6.500 4.010 3.548 4.783 . 0 0 "[ . 1]" 1 687 1 31 ILE HG12 1 107 TYR H 6.500 . 6.500 4.944 4.526 6.062 . 0 0 "[ . 1]" 1 688 1 31 ILE HG12 1 110 SER H 6.500 . 6.500 5.539 5.225 6.535 0.035 1 0 "[ . 1]" 1 689 1 31 ILE HG13 1 32 ARG H 6.500 . 6.500 3.552 3.108 3.745 . 0 0 "[ . 1]" 1 690 1 31 ILE HG13 1 106 LEU HA 6.500 . 6.500 6.085 5.095 6.573 0.073 6 0 "[ . 1]" 1 691 1 31 ILE HG13 1 106 LEU MD1 6.500 . 6.500 3.406 2.408 5.014 . 0 0 "[ . 1]" 1 692 1 31 ILE HG13 1 106 LEU MD2 6.500 . 6.500 4.516 3.932 5.754 . 0 0 "[ . 1]" 1 693 1 31 ILE HG13 1 110 SER H 6.500 . 6.500 6.555 5.752 6.718 0.218 8 0 "[ . 1]" 1 694 1 31 ILE MG 1 32 ARG H 6.500 . 6.500 4.072 3.686 4.194 . 0 0 "[ . 1]" 1 695 1 31 ILE MG 1 34 GLU H 6.500 . 6.500 3.203 2.396 3.738 . 0 0 "[ . 1]" 1 696 1 31 ILE MG 1 35 LYS H 6.500 . 6.500 4.612 4.063 5.241 . 0 0 "[ . 1]" 1 697 1 31 ILE MG 1 36 GLN H 6.500 . 6.500 5.085 4.709 5.382 . 0 0 "[ . 1]" 1 698 1 31 ILE MG 1 38 ASP H 6.500 . 6.500 5.961 5.687 6.129 . 0 0 "[ . 1]" 1 699 1 31 ILE MG 1 106 LEU QD 6.500 . 6.500 2.298 1.765 3.570 . 0 0 "[ . 1]" 1 700 1 32 ARG H 1 32 ARG HD2 6.500 . 6.500 4.806 4.144 5.186 . 0 0 "[ . 1]" 1 701 1 32 ARG H 1 32 ARG HD3 6.500 . 6.500 4.829 4.502 5.001 . 0 0 "[ . 1]" 1 702 1 32 ARG H 1 33 ASP H 6.500 . 6.500 4.475 4.346 4.544 . 0 0 "[ . 1]" 1 703 1 32 ARG H 1 35 LYS H 6.500 . 6.500 4.381 4.023 4.678 . 0 0 "[ . 1]" 1 704 1 32 ARG H 1 36 GLN H 6.500 . 6.500 3.540 3.204 3.804 . 0 0 "[ . 1]" 1 705 1 32 ARG H 1 36 GLN O 4.000 . 4.000 1.816 1.655 1.945 . 0 0 "[ . 1]" 1 706 1 32 ARG H 1 37 ILE HA 6.500 . 6.500 3.158 2.968 3.338 . 0 0 "[ . 1]" 1 707 1 32 ARG H 1 37 ILE HB 6.500 . 6.500 5.746 5.657 5.820 . 0 0 "[ . 1]" 1 708 1 32 ARG H 1 37 ILE MD 6.500 . 6.500 6.388 6.065 6.565 0.065 3 0 "[ . 1]" 1 709 1 32 ARG H 1 37 ILE HG12 6.500 . 6.500 5.467 4.927 5.754 . 0 0 "[ . 1]" 1 710 1 32 ARG H 1 37 ILE HG13 6.500 . 6.500 5.900 5.563 6.075 . 0 0 "[ . 1]" 1 711 1 32 ARG H 1 37 ILE MG 6.500 . 6.500 4.732 4.572 4.861 . 0 0 "[ . 1]" 1 712 1 32 ARG H 1 38 ASP H 6.500 . 6.500 3.443 3.280 3.674 . 0 0 "[ . 1]" 1 713 1 32 ARG H 1 38 ASP HA 6.500 . 6.500 5.117 4.935 5.467 . 0 0 "[ . 1]" 1 714 1 32 ARG H 1 38 ASP HB2 6.500 . 6.500 3.427 3.125 3.838 . 0 0 "[ . 1]" 1 715 1 32 ARG H 1 38 ASP QB 6.500 . 6.500 3.094 2.813 3.542 . 0 0 "[ . 1]" 1 716 1 32 ARG H 1 38 ASP HB3 6.500 . 6.500 3.533 3.191 4.157 . 0 0 "[ . 1]" 1 717 1 32 ARG HA 1 35 LYS H 6.500 . 6.500 5.018 4.890 5.202 . 0 0 "[ . 1]" 1 718 1 32 ARG QB 1 35 LYS H 6.500 . 6.500 4.537 4.317 5.361 . 0 0 "[ . 1]" 1 719 1 32 ARG HB2 1 33 ASP H 6.500 . 6.500 4.162 3.015 4.392 . 0 0 "[ . 1]" 1 720 1 32 ARG HB3 1 33 ASP H 6.500 . 6.500 4.174 4.076 4.279 . 0 0 "[ . 1]" 1 721 1 32 ARG HD2 1 37 ILE HB 6.500 . 6.500 6.560 6.492 6.596 0.096 6 0 "[ . 1]" 1 722 1 32 ARG HD2 1 37 ILE MG 6.500 . 6.500 6.191 5.842 6.499 . 0 0 "[ . 1]" 1 723 1 32 ARG HD3 1 37 ILE HB 6.500 . 6.500 6.342 5.708 6.591 0.091 10 0 "[ . 1]" 1 724 1 32 ARG HD3 1 37 ILE MG 6.500 . 6.500 6.409 6.015 6.589 0.089 9 0 "[ . 1]" 1 725 1 32 ARG QG 1 33 ASP H 6.500 . 6.500 3.010 2.712 3.947 . 0 0 "[ . 1]" 1 726 1 32 ARG QG 1 36 GLN H 6.500 . 6.500 4.495 3.260 4.853 . 0 0 "[ . 1]" 1 727 1 32 ARG HG2 1 33 ASP H 6.500 . 6.500 3.371 2.874 4.993 . 0 0 "[ . 1]" 1 728 1 32 ARG HG3 1 33 ASP H 6.500 . 6.500 3.435 3.168 4.135 . 0 0 "[ . 1]" 1 729 1 32 ARG N 1 36 GLN O 4.500 . 4.500 2.589 2.544 2.667 . 0 0 "[ . 1]" 1 730 1 32 ARG O 1 36 GLN H 4.000 . 4.000 1.991 1.869 2.088 . 0 0 "[ . 1]" 1 731 1 32 ARG O 1 36 GLN N 4.500 . 4.500 2.882 2.690 3.020 . 0 0 "[ . 1]" 1 732 1 33 ASP H 1 34 GLU H 6.500 . 6.500 2.675 2.612 2.776 . 0 0 "[ . 1]" 1 733 1 33 ASP HA 1 34 GLU H 6.500 . 6.500 3.140 3.084 3.259 . 0 0 "[ . 1]" 1 734 1 33 ASP HA 1 35 LYS H 6.500 . 6.500 4.569 4.415 4.687 . 0 0 "[ . 1]" 1 735 1 33 ASP HA 1 36 GLN H 6.500 . 6.500 5.554 5.427 5.673 . 0 0 "[ . 1]" 1 736 1 33 ASP QB 1 34 GLU H 6.500 . 6.500 3.520 3.353 3.620 . 0 0 "[ . 1]" 1 737 1 33 ASP QB 1 35 LYS H 6.500 . 6.500 3.140 2.903 3.302 . 0 0 "[ . 1]" 1 738 1 33 ASP QB 1 35 LYS QD 5.000 . 5.000 2.200 1.845 3.058 . 0 0 "[ . 1]" 1 739 1 33 ASP HB2 1 34 GLU H 6.500 . 6.500 3.849 3.557 4.334 . 0 0 "[ . 1]" 1 740 1 33 ASP HB2 1 35 LYS H 6.500 . 6.500 3.532 3.018 4.672 . 0 0 "[ . 1]" 1 741 1 33 ASP HB2 1 35 LYS HD2 5.500 . 5.500 3.178 2.112 4.763 . 0 0 "[ . 1]" 1 742 1 33 ASP HB2 1 35 LYS HD3 5.500 . 5.500 3.135 2.362 4.068 . 0 0 "[ . 1]" 1 743 1 33 ASP HB2 1 35 LYS HG2 6.500 . 6.500 3.839 2.498 5.412 . 0 0 "[ . 1]" 1 744 1 33 ASP HB2 1 35 LYS HG3 6.500 . 6.500 4.717 2.656 6.390 . 0 0 "[ . 1]" 1 745 1 33 ASP HB3 1 34 GLU H 6.500 . 6.500 4.182 3.733 4.375 . 0 0 "[ . 1]" 1 746 1 33 ASP HB3 1 35 LYS H 6.500 . 6.500 3.930 3.194 4.388 . 0 0 "[ . 1]" 1 747 1 33 ASP HB3 1 35 LYS HD2 5.500 . 5.500 2.809 2.077 4.374 . 0 0 "[ . 1]" 1 748 1 33 ASP HB3 1 35 LYS HD3 5.500 . 5.500 2.746 2.261 3.753 . 0 0 "[ . 1]" 1 749 1 33 ASP HB3 1 35 LYS HG2 6.500 . 6.500 3.958 2.626 4.873 . 0 0 "[ . 1]" 1 750 1 33 ASP HB3 1 35 LYS HG3 6.500 . 6.500 4.626 3.719 5.208 . 0 0 "[ . 1]" 1 751 1 34 GLU H 1 35 LYS H 6.500 . 6.500 2.660 2.507 2.720 . 0 0 "[ . 1]" 1 752 1 34 GLU H 1 36 GLN H 6.500 . 6.500 3.636 3.264 3.789 . 0 0 "[ . 1]" 1 753 1 34 GLU H 1 36 GLN QB 6.500 . 6.500 5.871 4.504 6.293 . 0 0 "[ . 1]" 1 754 1 34 GLU H 1 36 GLN HG2 6.500 . 6.500 5.146 4.559 6.615 0.115 2 0 "[ . 1]" 1 755 1 34 GLU H 1 36 GLN HG3 6.500 . 6.500 5.248 5.024 5.458 . 0 0 "[ . 1]" 1 756 1 34 GLU QB 1 35 LYS H 6.500 . 6.500 3.788 3.664 3.864 . 0 0 "[ . 1]" 1 757 1 34 GLU QB 1 35 LYS QB 6.500 . 6.500 4.040 3.919 4.140 . 0 0 "[ . 1]" 1 758 1 34 GLU QB 1 36 GLN H 6.500 . 6.500 5.228 5.049 5.341 . 0 0 "[ . 1]" 1 759 1 34 GLU HB2 1 35 LYS H 6.500 . 6.500 4.085 3.919 4.194 . 0 0 "[ . 1]" 1 760 1 34 GLU HB3 1 35 LYS H 6.500 . 6.500 4.484 4.404 4.523 . 0 0 "[ . 1]" 1 761 1 34 GLU HG2 1 35 LYS H 6.500 . 6.500 5.178 5.048 5.247 . 0 0 "[ . 1]" 1 762 1 34 GLU HG2 1 36 GLN H 6.500 . 6.500 6.478 6.267 6.566 0.066 6 0 "[ . 1]" 1 763 1 34 GLU HG3 1 35 LYS H 6.500 . 6.500 4.907 4.814 5.036 . 0 0 "[ . 1]" 1 764 1 34 GLU HG3 1 36 GLN H 6.500 . 6.500 6.311 6.210 6.525 0.025 7 0 "[ . 1]" 1 765 1 35 LYS H 1 35 LYS HD2 6.500 . 6.500 2.857 2.040 5.125 . 0 0 "[ . 1]" 1 766 1 35 LYS H 1 35 LYS HD3 6.500 . 6.500 4.087 3.649 4.947 . 0 0 "[ . 1]" 1 767 1 35 LYS H 1 35 LYS HE2 6.500 . 6.500 5.078 4.084 5.725 . 0 0 "[ . 1]" 1 768 1 35 LYS H 1 35 LYS HE3 6.500 . 6.500 4.364 3.995 5.441 . 0 0 "[ . 1]" 1 769 1 35 LYS H 1 36 GLN H 5.500 . 5.500 1.682 1.614 1.730 . 0 0 "[ . 1]" 1 770 1 35 LYS H 1 36 GLN HA 6.500 . 6.500 4.435 4.369 4.486 . 0 0 "[ . 1]" 1 771 1 35 LYS HE2 1 36 GLN H 6.500 . 6.500 5.802 4.108 6.325 . 0 0 "[ . 1]" 1 772 1 35 LYS HE3 1 36 GLN H 6.500 . 6.500 5.387 5.069 5.854 . 0 0 "[ . 1]" 1 773 1 35 LYS HG2 1 36 GLN H 6.500 . 6.500 3.225 2.908 3.644 . 0 0 "[ . 1]" 1 774 1 35 LYS HG3 1 36 GLN H 6.500 . 6.500 4.387 2.426 5.094 . 0 0 "[ . 1]" 1 775 1 36 GLN H 1 37 ILE H 6.500 . 6.500 4.448 4.412 4.464 . 0 0 "[ . 1]" 1 776 1 36 GLN HA 1 37 ILE MD 6.500 . 6.500 4.881 4.799 4.996 . 0 0 "[ . 1]" 1 777 1 36 GLN HA 1 37 ILE MG 6.500 . 6.500 5.393 5.344 5.443 . 0 0 "[ . 1]" 1 778 1 36 GLN QB 1 37 ILE H 6.500 . 6.500 2.458 2.391 2.528 . 0 0 "[ . 1]" 1 779 1 36 GLN QB 1 38 ASP HA 6.500 . 6.500 5.805 5.043 6.185 . 0 0 "[ . 1]" 1 780 1 36 GLN QB 1 38 ASP QB 6.500 . 6.500 4.852 3.876 5.269 . 0 0 "[ . 1]" 1 781 1 36 GLN HG2 1 37 ILE H 6.500 . 6.500 4.693 4.219 4.965 . 0 0 "[ . 1]" 1 782 1 36 GLN HG3 1 37 ILE H 6.500 . 6.500 4.135 3.663 5.054 . 0 0 "[ . 1]" 1 783 1 37 ILE H 1 38 ASP H 6.500 . 6.500 4.581 4.464 4.646 . 0 0 "[ . 1]" 1 784 1 37 ILE HA 1 38 ASP H 5.500 . 5.500 2.239 2.188 2.308 . 0 0 "[ . 1]" 1 785 1 37 ILE HB 1 38 ASP H 6.500 . 6.500 3.833 3.573 3.980 . 0 0 "[ . 1]" 1 786 1 37 ILE HB 1 39 VAL MG2 6.500 . 6.500 5.255 4.907 5.697 . 0 0 "[ . 1]" 1 787 1 37 ILE MD 1 38 ASP H 6.500 . 6.500 4.955 4.808 5.081 . 0 0 "[ . 1]" 1 788 1 37 ILE HG12 1 38 ASP H 6.500 . 6.500 4.590 4.498 4.689 . 0 0 "[ . 1]" 1 789 1 37 ILE HG13 1 38 ASP H 6.500 . 6.500 5.175 5.108 5.246 . 0 0 "[ . 1]" 1 790 1 37 ILE MG 1 38 ASP H 6.500 . 6.500 2.357 2.070 2.582 . 0 0 "[ . 1]" 1 791 1 38 ASP H 1 39 VAL H 6.500 . 6.500 4.402 4.356 4.442 . 0 0 "[ . 1]" 1 792 1 38 ASP HA 1 39 VAL H 5.500 . 5.500 2.389 2.324 2.467 . 0 0 "[ . 1]" 1 793 1 38 ASP QB 1 39 VAL H 6.500 . 6.500 3.308 3.219 3.378 . 0 0 "[ . 1]" 1 794 1 38 ASP HB2 1 39 VAL H 6.500 . 6.500 3.887 3.812 3.971 . 0 0 "[ . 1]" 1 795 1 38 ASP HB3 1 39 VAL H 6.500 . 6.500 3.583 3.452 3.680 . 0 0 "[ . 1]" 1 796 1 39 VAL H 1 40 GLU H 6.500 . 6.500 4.280 4.163 4.409 . 0 0 "[ . 1]" 1 797 1 39 VAL HA 1 41 THR H 6.500 . 6.500 3.798 3.496 4.117 . 0 0 "[ . 1]" 1 798 1 39 VAL HB 1 40 GLU H 6.500 . 6.500 4.250 4.110 4.365 . 0 0 "[ . 1]" 1 799 1 39 VAL HB 1 42 VAL MG1 6.500 . 6.500 4.590 4.133 6.301 . 0 0 "[ . 1]" 1 800 1 39 VAL HB 1 42 VAL QG 6.500 . 6.500 4.424 4.047 5.709 . 0 0 "[ . 1]" 1 801 1 39 VAL HB 1 42 VAL MG2 6.500 . 6.500 6.039 5.345 6.534 0.034 2 0 "[ . 1]" 1 802 1 39 VAL QG 1 40 GLU H 6.500 . 6.500 2.709 2.395 2.981 . 0 0 "[ . 1]" 1 803 1 39 VAL QG 1 41 THR H 6.500 . 6.500 2.917 2.598 3.241 . 0 0 "[ . 1]" 1 804 1 39 VAL QG 1 42 VAL H 6.500 . 6.500 4.494 4.290 4.801 . 0 0 "[ . 1]" 1 805 1 39 VAL QG 1 42 VAL QG 6.500 . 6.500 2.376 2.030 3.514 . 0 0 "[ . 1]" 1 806 1 39 VAL MG1 1 40 GLU H 6.500 . 6.500 2.757 2.421 3.050 . 0 0 "[ . 1]" 1 807 1 39 VAL MG1 1 42 VAL HB 6.500 . 6.500 4.271 2.642 4.901 . 0 0 "[ . 1]" 1 808 1 39 VAL MG1 1 42 VAL MG1 6.500 . 6.500 2.475 2.061 4.036 . 0 0 "[ . 1]" 1 809 1 39 VAL MG1 1 42 VAL MG2 6.500 . 6.500 3.783 3.304 4.085 . 0 0 "[ . 1]" 1 810 1 39 VAL MG2 1 40 GLU H 6.500 . 6.500 4.001 3.770 4.197 . 0 0 "[ . 1]" 1 811 1 39 VAL MG2 1 42 VAL HB 6.500 . 6.500 6.229 4.809 6.559 0.059 2 0 "[ . 1]" 1 812 1 39 VAL MG2 1 42 VAL MG1 6.500 . 6.500 4.220 3.655 6.096 . 0 0 "[ . 1]" 1 813 1 39 VAL MG2 1 42 VAL MG2 6.500 . 6.500 5.654 4.982 6.021 . 0 0 "[ . 1]" 1 814 1 40 GLU H 1 41 THR H 6.500 . 6.500 2.012 1.873 2.128 . 0 0 "[ . 1]" 1 815 1 40 GLU HA 1 41 THR HA 6.500 . 6.500 4.495 4.399 4.534 . 0 0 "[ . 1]" 1 816 1 40 GLU HA 1 41 THR HB 6.500 . 6.500 5.833 5.699 6.016 . 0 0 "[ . 1]" 1 817 1 40 GLU QB 1 41 THR HA 6.500 . 6.500 4.191 4.025 4.493 . 0 0 "[ . 1]" 1 818 1 40 GLU HB2 1 41 THR H 6.500 . 6.500 2.981 2.422 3.617 . 0 0 "[ . 1]" 1 819 1 40 GLU HB2 1 41 THR HB 6.500 . 6.500 4.399 3.770 4.817 . 0 0 "[ . 1]" 1 820 1 40 GLU HB3 1 41 THR H 6.500 . 6.500 3.962 3.657 4.310 . 0 0 "[ . 1]" 1 821 1 40 GLU HB3 1 41 THR HB 6.500 . 6.500 5.406 4.920 5.786 . 0 0 "[ . 1]" 1 822 1 40 GLU HG2 1 41 THR H 6.500 . 6.500 4.983 4.805 5.077 . 0 0 "[ . 1]" 1 823 1 40 GLU HG3 1 41 THR H 6.500 . 6.500 4.376 3.946 4.744 . 0 0 "[ . 1]" 1 824 1 41 THR H 1 42 VAL H 6.500 . 6.500 4.255 4.108 4.371 . 0 0 "[ . 1]" 1 825 1 41 THR HA 1 42 VAL H 5.500 . 5.500 2.154 2.128 2.198 . 0 0 "[ . 1]" 1 826 1 41 THR HB 1 42 VAL H 6.500 . 6.500 4.160 3.946 4.235 . 0 0 "[ . 1]" 1 827 1 41 THR MG 1 43 ALA HA 6.500 . 6.500 4.814 4.149 5.450 . 0 0 "[ . 1]" 1 828 1 41 THR MG 1 55 ASP H 6.500 . 6.500 6.416 5.993 6.612 0.112 3 0 "[ . 1]" 1 829 1 41 THR MG 1 56 ILE MD 6.500 . 6.500 4.927 2.302 6.490 . 0 0 "[ . 1]" 1 830 1 41 THR MG 1 56 ILE QG 6.500 . 6.500 5.226 3.962 6.535 0.035 2 0 "[ . 1]" 1 831 1 42 VAL H 1 43 ALA H 6.500 . 6.500 4.330 4.225 4.402 . 0 0 "[ . 1]" 1 832 1 42 VAL HA 1 43 ALA H 5.500 . 5.500 2.190 2.124 2.282 . 0 0 "[ . 1]" 1 833 1 42 VAL HB 1 43 ALA H 6.500 . 6.500 3.263 2.661 4.191 . 0 0 "[ . 1]" 1 834 1 42 VAL QG 1 43 ALA H 6.500 . 6.500 3.256 2.441 3.526 . 0 0 "[ . 1]" 1 835 1 42 VAL MG1 1 43 ALA H 6.500 . 6.500 3.838 3.719 3.996 . 0 0 "[ . 1]" 1 836 1 42 VAL MG2 1 43 ALA H 6.500 . 6.500 3.646 2.467 4.050 . 0 0 "[ . 1]" 1 837 1 43 ALA H 1 44 ASP H 6.500 . 6.500 4.404 4.351 4.458 . 0 0 "[ . 1]" 1 838 1 43 ALA HA 1 44 ASP H 5.500 . 5.500 2.384 2.151 2.606 . 0 0 "[ . 1]" 1 839 1 43 ALA HA 1 47 ALA MB 6.500 . 6.500 4.607 4.004 5.228 . 0 0 "[ . 1]" 1 840 1 43 ALA MB 1 44 ASP H 6.500 . 6.500 2.439 2.000 3.042 . 0 0 "[ . 1]" 1 841 1 43 ALA MB 1 47 ALA MB 6.500 . 6.500 2.704 2.336 2.954 . 0 0 "[ . 1]" 1 842 1 43 ALA MB 1 48 GLU H 6.500 . 6.500 6.124 5.794 6.482 . 0 0 "[ . 1]" 1 843 1 44 ASP H 1 45 ARG H 6.500 . 6.500 4.335 4.229 4.496 . 0 0 "[ . 1]" 1 844 1 44 ASP H 1 46 ASN HB2 6.500 . 6.500 5.571 4.774 6.291 . 0 0 "[ . 1]" 1 845 1 44 ASP H 1 46 ASN HB3 6.500 . 6.500 4.444 4.045 4.938 . 0 0 "[ . 1]" 1 846 1 44 ASP HA 1 45 ARG H 5.500 . 5.500 2.740 2.498 2.917 . 0 0 "[ . 1]" 1 847 1 44 ASP HA 1 46 ASN H 6.500 . 6.500 4.301 4.216 4.424 . 0 0 "[ . 1]" 1 848 1 44 ASP QB 1 45 ARG H 5.500 . 5.500 2.359 1.849 3.233 . 0 0 "[ . 1]" 1 849 1 44 ASP QB 1 46 ASN H 6.500 . 6.500 3.291 2.874 3.752 . 0 0 "[ . 1]" 1 850 1 44 ASP HB2 1 45 ARG H 6.500 . 6.500 2.602 1.856 3.711 . 0 0 "[ . 1]" 1 851 1 44 ASP HB3 1 45 ARG H 6.500 . 6.500 3.390 2.656 3.557 . 0 0 "[ . 1]" 1 852 1 45 ARG H 1 45 ARG HD2 6.500 . 6.500 3.909 1.676 4.778 . 0 0 "[ . 1]" 1 853 1 45 ARG H 1 45 ARG HD3 6.500 . 6.500 4.089 3.272 5.027 . 0 0 "[ . 1]" 1 854 1 45 ARG H 1 46 ASN H 6.500 . 6.500 2.694 2.480 2.994 . 0 0 "[ . 1]" 1 855 1 45 ARG QB 1 46 ASN H 6.500 . 6.500 3.716 2.944 3.987 . 0 0 "[ . 1]" 1 856 1 45 ARG HB2 1 46 ASN H 6.500 . 6.500 4.147 3.853 4.356 . 0 0 "[ . 1]" 1 857 1 45 ARG HB3 1 46 ASN H 6.500 . 6.500 4.263 3.031 4.653 . 0 0 "[ . 1]" 1 858 1 45 ARG HD2 1 46 ASN H 6.500 . 6.500 4.752 2.759 6.209 . 0 0 "[ . 1]" 1 859 1 45 ARG HD3 1 46 ASN H 6.500 . 6.500 4.734 2.765 6.259 . 0 0 "[ . 1]" 1 860 1 46 ASN H 1 47 ALA H 5.500 . 5.500 2.538 2.178 2.766 . 0 0 "[ . 1]" 1 861 1 46 ASN HA 1 47 ALA H 6.500 . 6.500 3.484 3.423 3.564 . 0 0 "[ . 1]" 1 862 1 46 ASN HB2 1 47 ALA H 6.500 . 6.500 4.029 3.917 4.147 . 0 0 "[ . 1]" 1 863 1 46 ASN HB3 1 47 ALA H 6.500 . 6.500 2.886 2.540 3.095 . 0 0 "[ . 1]" 1 864 1 47 ALA H 1 48 GLU H 6.500 . 6.500 4.543 4.456 4.623 . 0 0 "[ . 1]" 1 865 1 47 ALA HA 1 48 GLU H 5.500 . 5.500 2.247 2.106 2.438 . 0 0 "[ . 1]" 1 866 1 47 ALA MB 1 48 GLU H 6.500 . 6.500 2.757 2.405 3.197 . 0 0 "[ . 1]" 1 867 1 47 ALA MB 1 51 GLN HA 6.500 . 6.500 5.307 4.996 6.099 . 0 0 "[ . 1]" 1 868 1 47 ALA MB 1 51 GLN HG2 6.500 . 6.500 4.951 4.475 6.160 . 0 0 "[ . 1]" 1 869 1 47 ALA MB 1 51 GLN QG 6.500 . 6.500 4.288 3.752 5.193 . 0 0 "[ . 1]" 1 870 1 47 ALA MB 1 51 GLN HG3 6.500 . 6.500 4.707 4.029 5.592 . 0 0 "[ . 1]" 1 871 1 47 ALA MB 1 52 PHE HA 6.500 . 6.500 4.472 3.632 5.107 . 0 0 "[ . 1]" 1 872 1 47 ALA MB 1 52 PHE HB2 6.500 . 6.500 4.838 3.275 5.858 . 0 0 "[ . 1]" 1 873 1 47 ALA MB 1 52 PHE HB3 6.500 . 6.500 4.916 2.745 5.931 . 0 0 "[ . 1]" 1 874 1 48 GLU H 1 48 GLU HG2 5.500 . 5.500 2.278 1.833 4.450 . 0 0 "[ . 1]" 1 875 1 48 GLU H 1 48 GLU HG3 5.500 . 5.500 3.200 2.416 4.531 . 0 0 "[ . 1]" 1 876 1 48 GLU H 1 49 TYR H 6.500 . 6.500 4.498 4.431 4.568 . 0 0 "[ . 1]" 1 877 1 48 GLU H 1 51 GLN H 6.500 . 6.500 3.827 3.626 4.086 . 0 0 "[ . 1]" 1 878 1 48 GLU HA 1 49 TYR H 5.500 . 5.500 2.601 2.462 2.713 . 0 0 "[ . 1]" 1 879 1 48 GLU HA 1 50 ASP H 6.500 . 6.500 4.617 4.342 4.907 . 0 0 "[ . 1]" 1 880 1 48 GLU HA 1 51 GLN H 6.500 . 6.500 4.888 4.577 5.068 . 0 0 "[ . 1]" 1 881 1 48 GLU HA 1 52 PHE H 6.500 . 6.500 5.415 4.949 5.816 . 0 0 "[ . 1]" 1 882 1 48 GLU HB2 1 49 TYR H 6.500 . 6.500 2.279 1.956 3.896 . 0 0 "[ . 1]" 1 883 1 48 GLU HB2 1 51 GLN H 6.500 . 6.500 4.345 4.021 4.541 . 0 0 "[ . 1]" 1 884 1 48 GLU HB3 1 49 TYR H 6.500 . 6.500 3.574 3.488 3.711 . 0 0 "[ . 1]" 1 885 1 48 GLU HB3 1 51 GLN H 6.500 . 6.500 4.813 2.795 5.327 . 0 0 "[ . 1]" 1 886 1 48 GLU QG 1 49 TYR H 5.500 . 5.500 3.145 1.990 3.605 . 0 0 "[ . 1]" 1 887 1 48 GLU QG 1 50 ASP H 5.500 . 5.500 2.584 2.183 2.990 . 0 0 "[ . 1]" 1 888 1 48 GLU QG 1 51 GLN H 5.500 . 5.500 2.444 1.964 3.393 . 0 0 "[ . 1]" 1 889 1 48 GLU QG 1 52 PHE QB 6.500 . 6.500 5.736 4.858 6.521 0.021 9 0 "[ . 1]" 1 890 1 48 GLU HG2 1 49 TYR H 6.500 . 6.500 4.154 2.112 4.617 . 0 0 "[ . 1]" 1 891 1 48 GLU HG2 1 50 ASP H 6.500 . 6.500 4.064 2.337 4.551 . 0 0 "[ . 1]" 1 892 1 48 GLU HG2 1 51 GLN H 6.500 . 6.500 3.391 2.715 3.860 . 0 0 "[ . 1]" 1 893 1 48 GLU HG3 1 49 TYR H 6.500 . 6.500 3.287 2.429 3.763 . 0 0 "[ . 1]" 1 894 1 48 GLU HG3 1 50 ASP H 6.500 . 6.500 2.776 2.194 4.005 . 0 0 "[ . 1]" 1 895 1 48 GLU HG3 1 51 GLN H 6.500 . 6.500 2.653 1.973 4.893 . 0 0 "[ . 1]" 1 896 1 49 TYR H 1 49 TYR HE1 6.500 . 6.500 5.455 4.809 5.760 . 0 0 "[ . 1]" 1 897 1 49 TYR H 1 49 TYR HE2 6.500 . 6.500 4.329 4.135 4.501 . 0 0 "[ . 1]" 1 898 1 49 TYR H 1 50 ASP H 6.500 . 6.500 2.629 2.403 2.809 . 0 0 "[ . 1]" 1 899 1 49 TYR H 1 51 GLN H 6.500 . 6.500 4.181 3.964 4.315 . 0 0 "[ . 1]" 1 900 1 49 TYR H 1 52 PHE H 6.500 . 6.500 4.989 4.664 5.578 . 0 0 "[ . 1]" 1 901 1 49 TYR H 1 135 ARG HB2 6.500 . 6.500 5.709 4.719 6.584 0.084 10 0 "[ . 1]" 1 902 1 49 TYR H 1 135 ARG QB 6.500 . 6.500 4.876 3.931 5.543 . 0 0 "[ . 1]" 1 903 1 49 TYR H 1 135 ARG HB3 6.500 . 6.500 5.453 4.159 6.662 0.162 1 0 "[ . 1]" 1 904 1 49 TYR H 1 135 ARG HD2 6.500 . 6.500 4.976 4.557 6.142 . 0 0 "[ . 1]" 1 905 1 49 TYR H 1 135 ARG HD3 6.500 . 6.500 6.139 4.420 6.564 0.064 6 0 "[ . 1]" 1 906 1 49 TYR H 1 135 ARG HG3 6.500 . 6.500 5.948 4.439 6.649 0.149 4 0 "[ . 1]" 1 907 1 49 TYR HA 1 51 GLN H 6.500 . 6.500 4.244 4.066 4.630 . 0 0 "[ . 1]" 1 908 1 49 TYR HA 1 52 PHE H 6.500 . 6.500 3.539 3.267 4.086 . 0 0 "[ . 1]" 1 909 1 49 TYR HA 1 53 LEU H 6.500 . 6.500 4.288 3.786 4.651 . 0 0 "[ . 1]" 1 910 1 49 TYR HB2 1 50 ASP H 6.500 . 6.500 2.697 2.414 3.090 . 0 0 "[ . 1]" 1 911 1 49 TYR HB2 1 52 PHE H 6.500 . 6.500 5.658 5.355 6.482 . 0 0 "[ . 1]" 1 912 1 49 TYR HB2 1 135 ARG H 6.500 . 6.500 5.113 3.415 6.348 . 0 0 "[ . 1]" 1 913 1 49 TYR HB3 1 50 ASP H 6.500 . 6.500 3.795 3.590 4.068 . 0 0 "[ . 1]" 1 914 1 49 TYR HB3 1 52 PHE H 6.500 . 6.500 5.410 5.030 6.132 . 0 0 "[ . 1]" 1 915 1 49 TYR HB3 1 135 ARG H 6.500 . 6.500 4.679 3.922 5.734 . 0 0 "[ . 1]" 1 916 1 50 ASP H 1 51 GLN H 5.500 . 5.500 2.655 2.483 2.728 . 0 0 "[ . 1]" 1 917 1 50 ASP H 1 52 PHE H 6.500 . 6.500 4.237 3.918 4.687 . 0 0 "[ . 1]" 1 918 1 50 ASP H 1 135 ARG HD2 6.500 . 6.500 4.002 3.409 4.741 . 0 0 "[ . 1]" 1 919 1 50 ASP H 1 135 ARG HD3 6.500 . 6.500 4.769 3.664 5.427 . 0 0 "[ . 1]" 1 920 1 50 ASP HA 1 51 GLN H 6.500 . 6.500 3.507 3.437 3.544 . 0 0 "[ . 1]" 1 921 1 50 ASP HA 1 52 PHE H 6.500 . 6.500 4.486 4.064 5.219 . 0 0 "[ . 1]" 1 922 1 50 ASP HA 1 53 LEU H 6.500 . 6.500 3.820 3.457 4.365 . 0 0 "[ . 1]" 1 923 1 50 ASP HA 1 53 LEU QB 6.500 . 6.500 3.119 2.526 3.740 . 0 0 "[ . 1]" 1 924 1 50 ASP HA 1 54 GLU H 6.500 . 6.500 4.168 3.775 4.472 . 0 0 "[ . 1]" 1 925 1 50 ASP QB 1 51 GLN H 5.500 . 5.500 2.649 2.397 2.993 . 0 0 "[ . 1]" 1 926 1 50 ASP QB 1 54 GLU H 6.500 . 6.500 4.829 4.504 5.542 . 0 0 "[ . 1]" 1 927 1 50 ASP HB2 1 51 GLN H 6.500 . 6.500 2.840 2.445 3.907 . 0 0 "[ . 1]" 1 928 1 50 ASP HB2 1 54 GLU H 6.500 . 6.500 5.878 5.520 6.500 . 0 0 "[ . 1]" 1 929 1 50 ASP HB3 1 51 GLN H 6.500 . 6.500 3.572 2.667 4.077 . 0 0 "[ . 1]" 1 930 1 50 ASP HB3 1 54 GLU H 6.500 . 6.500 5.139 4.774 6.008 . 0 0 "[ . 1]" 1 931 1 51 GLN H 1 52 PHE H 6.500 . 6.500 2.586 2.449 2.795 . 0 0 "[ . 1]" 1 932 1 51 GLN H 1 52 PHE HA 6.500 . 6.500 5.191 5.076 5.343 . 0 0 "[ . 1]" 1 933 1 51 GLN H 1 53 LEU H 6.500 . 6.500 4.249 3.836 4.621 . 0 0 "[ . 1]" 1 934 1 51 GLN HA 1 53 LEU H 6.500 . 6.500 4.555 4.331 4.792 . 0 0 "[ . 1]" 1 935 1 51 GLN HA 1 54 GLU H 6.500 . 6.500 3.508 3.215 3.719 . 0 0 "[ . 1]" 1 936 1 51 GLN HA 1 54 GLU HA 6.500 . 6.500 5.347 4.845 5.742 . 0 0 "[ . 1]" 1 937 1 51 GLN HA 1 54 GLU HB2 6.500 . 6.500 3.443 2.892 3.895 . 0 0 "[ . 1]" 1 938 1 51 GLN HA 1 54 GLU HB3 5.500 . 5.500 2.634 2.133 3.122 . 0 0 "[ . 1]" 1 939 1 51 GLN HA 1 54 GLU HG2 6.500 . 6.500 4.202 3.531 4.857 . 0 0 "[ . 1]" 1 940 1 51 GLN HA 1 54 GLU HG3 6.500 . 6.500 4.855 4.291 5.450 . 0 0 "[ . 1]" 1 941 1 51 GLN HA 1 55 ASP H 6.500 . 6.500 4.056 3.816 4.494 . 0 0 "[ . 1]" 1 942 1 51 GLN HB2 1 52 PHE H 6.500 . 6.500 2.746 2.524 3.039 . 0 0 "[ . 1]" 1 943 1 51 GLN HB3 1 52 PHE H 6.500 . 6.500 3.663 3.192 3.925 . 0 0 "[ . 1]" 1 944 1 51 GLN QG 1 52 PHE H 6.500 . 6.500 4.157 4.021 4.280 . 0 0 "[ . 1]" 1 945 1 51 GLN QG 1 54 GLU QB 6.500 . 6.500 4.204 3.681 4.603 . 0 0 "[ . 1]" 1 946 1 51 GLN HG2 1 52 PHE H 6.500 . 6.500 5.078 4.977 5.210 . 0 0 "[ . 1]" 1 947 1 51 GLN HG2 1 54 GLU HB2 6.500 . 6.500 5.544 4.791 6.189 . 0 0 "[ . 1]" 1 948 1 51 GLN HG2 1 54 GLU HB3 6.500 . 6.500 4.781 4.134 5.253 . 0 0 "[ . 1]" 1 949 1 51 GLN HG3 1 52 PHE H 6.500 . 6.500 4.415 4.209 4.635 . 0 0 "[ . 1]" 1 950 1 51 GLN HG3 1 54 GLU HB2 6.500 . 6.500 5.909 5.258 6.498 . 0 0 "[ . 1]" 1 951 1 51 GLN HG3 1 54 GLU HB3 6.500 . 6.500 5.462 4.905 6.141 . 0 0 "[ . 1]" 1 952 1 52 PHE H 1 53 LEU H 6.500 . 6.500 2.702 2.494 2.838 . 0 0 "[ . 1]" 1 953 1 52 PHE H 1 54 GLU H 6.500 . 6.500 4.085 3.811 4.389 . 0 0 "[ . 1]" 1 954 1 52 PHE H 1 55 ASP H 6.500 . 6.500 4.774 4.686 4.906 . 0 0 "[ . 1]" 1 955 1 52 PHE HA 1 54 GLU H 6.500 . 6.500 4.506 4.212 4.799 . 0 0 "[ . 1]" 1 956 1 52 PHE HA 1 55 ASP H 6.500 . 6.500 3.640 3.334 3.889 . 0 0 "[ . 1]" 1 957 1 52 PHE HA 1 55 ASP QB 6.500 . 6.500 3.098 2.644 3.460 . 0 0 "[ . 1]" 1 958 1 52 PHE HA 1 56 ILE H 6.500 . 6.500 4.380 4.089 4.795 . 0 0 "[ . 1]" 1 959 1 52 PHE HB2 1 53 LEU H 6.500 . 6.500 3.137 2.234 4.088 . 0 0 "[ . 1]" 1 960 1 52 PHE HB2 1 55 ASP HB2 6.500 . 6.500 6.230 5.626 6.580 0.080 6 0 "[ . 1]" 1 961 1 52 PHE HB2 1 55 ASP HB3 6.500 . 6.500 5.704 4.547 6.527 0.027 3 0 "[ . 1]" 1 962 1 52 PHE HB3 1 53 LEU H 6.500 . 6.500 3.247 2.402 4.016 . 0 0 "[ . 1]" 1 963 1 52 PHE HB3 1 55 ASP HB2 6.500 . 6.500 6.148 5.759 6.560 0.060 2 0 "[ . 1]" 1 964 1 52 PHE HB3 1 55 ASP HB3 6.500 . 6.500 5.553 4.822 6.228 . 0 0 "[ . 1]" 1 965 1 53 LEU H 1 54 GLU H 6.500 . 6.500 2.655 2.498 2.903 . 0 0 "[ . 1]" 1 966 1 53 LEU H 1 55 ASP H 6.500 . 6.500 4.177 4.014 4.284 . 0 0 "[ . 1]" 1 967 1 53 LEU HA 1 55 ASP H 6.500 . 6.500 4.388 4.025 4.588 . 0 0 "[ . 1]" 1 968 1 53 LEU HA 1 56 ILE H 6.500 . 6.500 3.753 3.263 4.143 . 0 0 "[ . 1]" 1 969 1 53 LEU HA 1 56 ILE HB 6.500 . 6.500 4.382 2.898 5.415 . 0 0 "[ . 1]" 1 970 1 53 LEU HA 1 57 GLN H 6.500 . 6.500 4.291 3.936 4.828 . 0 0 "[ . 1]" 1 971 1 53 LEU HA 1 134 SER HA 6.500 . 6.500 6.280 5.405 6.559 0.059 9 0 "[ . 1]" 1 972 1 53 LEU HB2 1 54 GLU H 6.500 . 6.500 3.201 2.566 3.818 . 0 0 "[ . 1]" 1 973 1 53 LEU HB2 1 134 SER HA 6.500 . 6.500 4.693 4.057 5.360 . 0 0 "[ . 1]" 1 974 1 53 LEU HB3 1 54 GLU H 6.500 . 6.500 2.952 2.414 3.744 . 0 0 "[ . 1]" 1 975 1 53 LEU HB3 1 134 SER HA 6.500 . 6.500 5.016 4.460 5.824 . 0 0 "[ . 1]" 1 976 1 53 LEU QD 1 56 ILE MG 6.500 . 6.500 4.274 2.873 4.843 . 0 0 "[ . 1]" 1 977 1 53 LEU QD 1 133 ALA H 6.500 . 6.500 4.279 3.835 4.749 . 0 0 "[ . 1]" 1 978 1 53 LEU QD 1 133 ALA HA 6.500 . 6.500 3.878 3.189 4.239 . 0 0 "[ . 1]" 1 979 1 53 LEU QD 1 133 ALA MB 6.500 . 6.500 2.268 1.837 2.971 . 0 0 "[ . 1]" 1 980 1 53 LEU QD 1 134 SER H 6.500 . 6.500 3.779 3.218 4.480 . 0 0 "[ . 1]" 1 981 1 53 LEU QD 1 135 ARG H 6.500 . 6.500 3.429 2.574 5.088 . 0 0 "[ . 1]" 1 982 1 53 LEU MD1 1 54 GLU H 6.500 . 6.500 4.272 3.681 4.570 . 0 0 "[ . 1]" 1 983 1 53 LEU MD1 1 133 ALA H 6.500 . 6.500 4.733 4.067 5.575 . 0 0 "[ . 1]" 1 984 1 53 LEU MD1 1 133 ALA HA 6.500 . 6.500 4.341 3.462 6.149 . 0 0 "[ . 1]" 1 985 1 53 LEU MD1 1 133 ALA MB 6.500 . 6.500 2.631 1.904 3.699 . 0 0 "[ . 1]" 1 986 1 53 LEU MD1 1 134 SER H 6.500 . 6.500 4.376 3.372 5.127 . 0 0 "[ . 1]" 1 987 1 53 LEU MD1 1 134 SER HA 6.500 . 6.500 3.279 1.992 4.473 . 0 0 "[ . 1]" 1 988 1 53 LEU MD1 1 135 ARG H 6.500 . 6.500 4.528 2.878 6.433 . 0 0 "[ . 1]" 1 989 1 53 LEU MD2 1 54 GLU H 6.500 . 6.500 4.321 3.747 4.683 . 0 0 "[ . 1]" 1 990 1 53 LEU MD2 1 133 ALA H 6.500 . 6.500 5.207 3.984 6.213 . 0 0 "[ . 1]" 1 991 1 53 LEU MD2 1 133 ALA HA 6.500 . 6.500 4.680 3.478 5.766 . 0 0 "[ . 1]" 1 992 1 53 LEU MD2 1 133 ALA MB 6.500 . 6.500 3.167 1.853 4.249 . 0 0 "[ . 1]" 1 993 1 53 LEU MD2 1 134 SER H 6.500 . 6.500 4.299 3.276 4.942 . 0 0 "[ . 1]" 1 994 1 53 LEU MD2 1 134 SER HA 6.500 . 6.500 2.971 1.238 4.508 . 0 0 "[ . 1]" 1 995 1 53 LEU MD2 1 135 ARG H 6.500 . 6.500 3.908 2.609 5.677 . 0 0 "[ . 1]" 1 996 1 53 LEU HG 1 54 GLU H 6.500 . 6.500 4.589 3.723 5.197 . 0 0 "[ . 1]" 1 997 1 54 GLU H 1 55 ASP H 6.500 . 6.500 2.709 2.477 2.867 . 0 0 "[ . 1]" 1 998 1 54 GLU H 1 56 ILE H 6.500 . 6.500 4.338 4.095 4.451 . 0 0 "[ . 1]" 1 999 1 54 GLU H 1 57 GLN H 6.500 . 6.500 4.993 4.834 5.165 . 0 0 "[ . 1]" 1 1000 1 54 GLU HA 1 55 ASP H 5.500 . 5.500 3.538 3.479 3.563 . 0 0 "[ . 1]" 1 1001 1 54 GLU HA 1 56 ILE H 6.500 . 6.500 4.563 4.262 4.847 . 0 0 "[ . 1]" 1 1002 1 54 GLU HA 1 57 GLN H 6.500 . 6.500 3.838 3.555 4.052 . 0 0 "[ . 1]" 1 1003 1 54 GLU HA 1 57 GLN HA 6.500 . 6.500 5.998 5.688 6.236 . 0 0 "[ . 1]" 1 1004 1 54 GLU HA 1 58 LYS H 6.500 . 6.500 4.397 3.857 5.050 . 0 0 "[ . 1]" 1 1005 1 54 GLU HB2 1 55 ASP H 6.500 . 6.500 3.895 3.812 4.087 . 0 0 "[ . 1]" 1 1006 1 54 GLU HB3 1 55 ASP H 6.500 . 6.500 2.647 2.430 2.997 . 0 0 "[ . 1]" 1 1007 1 54 GLU HG2 1 55 ASP H 6.500 . 6.500 4.749 4.458 5.128 . 0 0 "[ . 1]" 1 1008 1 54 GLU HG3 1 55 ASP H 6.500 . 6.500 3.846 3.487 4.160 . 0 0 "[ . 1]" 1 1009 1 55 ASP H 1 56 ILE H 6.500 . 6.500 2.634 2.464 2.768 . 0 0 "[ . 1]" 1 1010 1 55 ASP H 1 57 GLN H 6.500 . 6.500 4.170 3.862 4.400 . 0 0 "[ . 1]" 1 1011 1 55 ASP HA 1 57 GLN H 6.500 . 6.500 4.501 4.221 4.798 . 0 0 "[ . 1]" 1 1012 1 55 ASP HA 1 58 LYS H 6.500 . 6.500 3.854 3.522 4.073 . 0 0 "[ . 1]" 1 1013 1 55 ASP HA 1 58 LYS HB2 6.500 . 6.500 4.806 3.509 5.493 . 0 0 "[ . 1]" 1 1014 1 55 ASP HA 1 58 LYS HB3 6.500 . 6.500 4.092 2.318 5.179 . 0 0 "[ . 1]" 1 1015 1 55 ASP HA 1 59 CYS H 6.500 . 6.500 4.930 4.249 5.601 . 0 0 "[ . 1]" 1 1016 1 55 ASP QB 1 56 ILE H 6.500 . 6.500 2.602 2.438 2.881 . 0 0 "[ . 1]" 1 1017 1 56 ILE H 1 57 GLN H 6.500 . 6.500 2.586 2.442 2.693 . 0 0 "[ . 1]" 1 1018 1 56 ILE H 1 58 LYS H 6.500 . 6.500 4.080 3.792 4.444 . 0 0 "[ . 1]" 1 1019 1 56 ILE HA 1 58 LYS H 6.500 . 6.500 4.219 3.739 4.441 . 0 0 "[ . 1]" 1 1020 1 56 ILE HA 1 59 CYS H 6.500 . 6.500 3.623 3.280 3.967 . 0 0 "[ . 1]" 1 1021 1 56 ILE HA 1 60 GLY H 6.500 . 6.500 4.762 4.408 5.304 . 0 0 "[ . 1]" 1 1022 1 56 ILE HB 1 57 GLN H 6.500 . 6.500 3.420 2.512 4.078 . 0 0 "[ . 1]" 1 1023 1 56 ILE HB 1 59 CYS HB2 6.500 . 6.500 5.826 4.639 6.538 0.038 4 0 "[ . 1]" 1 1024 1 56 ILE HB 1 59 CYS HB3 6.500 . 6.500 5.297 4.103 6.224 . 0 0 "[ . 1]" 1 1025 1 56 ILE MD 1 57 GLN H 6.500 . 6.500 4.162 2.585 4.636 . 0 0 "[ . 1]" 1 1026 1 56 ILE HG12 1 57 GLN H 6.500 . 6.500 3.933 2.846 5.024 . 0 0 "[ . 1]" 1 1027 1 56 ILE HG13 1 57 GLN H 6.500 . 6.500 3.480 2.215 5.076 . 0 0 "[ . 1]" 1 1028 1 56 ILE MG 1 57 GLN H 6.500 . 6.500 3.674 2.308 4.155 . 0 0 "[ . 1]" 1 1029 1 57 GLN H 1 58 LYS H 5.500 . 5.500 2.512 2.360 2.660 . 0 0 "[ . 1]" 1 1030 1 57 GLN H 1 58 LYS HA 6.500 . 6.500 5.121 4.987 5.258 . 0 0 "[ . 1]" 1 1031 1 57 GLN H 1 59 CYS H 6.500 . 6.500 3.976 3.662 4.217 . 0 0 "[ . 1]" 1 1032 1 57 GLN H 1 60 GLY H 6.500 . 6.500 5.069 4.747 5.444 . 0 0 "[ . 1]" 1 1033 1 57 GLN H 1 130 LEU MD1 6.500 . 6.500 5.213 4.595 6.428 . 0 0 "[ . 1]" 1 1034 1 57 GLN H 1 130 LEU QD 6.500 . 6.500 4.555 3.967 4.904 . 0 0 "[ . 1]" 1 1035 1 57 GLN H 1 130 LEU MD2 6.500 . 6.500 5.570 4.125 6.542 0.042 4 0 "[ . 1]" 1 1036 1 57 GLN HA 1 58 LYS H 6.500 . 6.500 3.474 3.392 3.540 . 0 0 "[ . 1]" 1 1037 1 57 GLN HA 1 59 CYS H 6.500 . 6.500 3.841 3.609 4.127 . 0 0 "[ . 1]" 1 1038 1 57 GLN HA 1 60 GLY H 6.500 . 6.500 3.410 2.989 3.730 . 0 0 "[ . 1]" 1 1039 1 57 GLN HB2 1 58 LYS H 6.500 . 6.500 4.039 3.880 4.197 . 0 0 "[ . 1]" 1 1040 1 57 GLN HB2 1 130 LEU HA 6.500 . 6.500 5.837 4.713 6.508 0.008 3 0 "[ . 1]" 1 1041 1 57 GLN HB3 1 58 LYS H 6.500 . 6.500 4.101 3.960 4.313 . 0 0 "[ . 1]" 1 1042 1 57 GLN HB3 1 130 LEU HA 6.500 . 6.500 5.214 4.764 5.724 . 0 0 "[ . 1]" 1 1043 1 57 GLN QG 1 130 LEU QD 6.500 . 6.500 3.073 2.450 3.717 . 0 0 "[ . 1]" 1 1044 1 57 GLN HG2 1 58 LYS H 6.500 . 6.500 3.647 2.685 4.558 . 0 0 "[ . 1]" 1 1045 1 57 GLN HG3 1 58 LYS H 5.500 . 5.500 2.627 2.269 3.109 . 0 0 "[ . 1]" 1 1046 1 58 LYS H 1 58 LYS HD2 6.500 . 6.500 4.311 3.225 4.945 . 0 0 "[ . 1]" 1 1047 1 58 LYS H 1 58 LYS HD3 6.500 . 6.500 4.365 3.919 5.641 . 0 0 "[ . 1]" 1 1048 1 58 LYS H 1 58 LYS HE2 6.500 . 6.500 5.195 3.605 6.537 0.037 1 0 "[ . 1]" 1 1049 1 58 LYS H 1 58 LYS HE3 6.500 . 6.500 5.165 4.103 6.628 0.128 1 0 "[ . 1]" 1 1050 1 58 LYS H 1 59 CYS H 5.500 . 5.500 2.467 2.386 2.593 . 0 0 "[ . 1]" 1 1051 1 58 LYS H 1 60 GLY H 6.500 . 6.500 4.194 3.940 4.421 . 0 0 "[ . 1]" 1 1052 1 58 LYS HA 1 59 CYS H 5.500 . 5.500 3.405 3.283 3.498 . 0 0 "[ . 1]" 1 1053 1 58 LYS HA 1 60 GLY H 6.500 . 6.500 4.301 3.825 4.681 . 0 0 "[ . 1]" 1 1054 1 58 LYS HB2 1 59 CYS H 6.500 . 6.500 4.126 3.939 4.256 . 0 0 "[ . 1]" 1 1055 1 58 LYS HB3 1 59 CYS H 6.500 . 6.500 3.961 2.877 4.422 . 0 0 "[ . 1]" 1 1056 1 58 LYS HD2 1 59 CYS H 6.500 . 6.500 4.404 2.707 5.606 . 0 0 "[ . 1]" 1 1057 1 58 LYS HD3 1 59 CYS H 6.500 . 6.500 4.837 4.191 5.630 . 0 0 "[ . 1]" 1 1058 1 58 LYS HG2 1 59 CYS H 6.500 . 6.500 3.664 2.571 4.835 . 0 0 "[ . 1]" 1 1059 1 58 LYS HG3 1 59 CYS H 6.500 . 6.500 3.415 2.514 5.348 . 0 0 "[ . 1]" 1 1060 1 59 CYS H 1 60 GLY H 5.500 . 5.500 2.421 2.263 2.560 . 0 0 "[ . 1]" 1 1061 1 59 CYS HA 1 60 GLY H 6.500 . 6.500 3.521 3.470 3.547 . 0 0 "[ . 1]" 1 1062 1 59 CYS HB2 1 60 GLY H 6.500 . 6.500 3.779 2.595 3.990 . 0 0 "[ . 1]" 1 1063 1 59 CYS HB3 1 60 GLY H 6.500 . 6.500 2.803 2.564 3.608 . 0 0 "[ . 1]" 1 1064 1 60 GLY QA 1 61 PRO HA 6.500 . 6.500 4.149 4.099 4.199 . 0 0 "[ . 1]" 1 1065 1 60 GLY QA 1 61 PRO QG 6.500 . 6.500 3.686 3.541 3.834 . 0 0 "[ . 1]" 1 1066 1 61 PRO HA 1 62 GLY QA 6.500 . 6.500 4.278 4.028 4.369 . 0 0 "[ . 1]" 1 1067 1 61 PRO QG 1 62 GLY QA 6.500 . 6.500 4.513 3.650 4.870 . 0 0 "[ . 1]" 1 1068 1 61 PRO HG2 1 62 GLY H 5.500 . 5.500 3.677 2.814 4.430 . 0 0 "[ . 1]" 1 1069 1 61 PRO HG3 1 62 GLY H 5.500 . 5.500 4.480 4.141 5.350 . 0 0 "[ . 1]" 1 1070 1 62 GLY H 1 63 GLU H 6.500 . 6.500 2.793 2.151 3.531 . 0 0 "[ . 1]" 1 1071 1 62 GLY QA 1 63 GLU QG 6.500 . 6.500 3.903 3.680 4.336 . 0 0 "[ . 1]" 1 1072 1 63 GLU H 1 64 CYS H 6.500 . 6.500 4.344 4.117 4.482 . 0 0 "[ . 1]" 1 1073 1 63 GLU H 1 95 CYS QB 6.500 . 6.500 6.038 4.962 6.626 0.126 5 0 "[ . 1]" 1 1074 1 63 GLU H 1 96 PRO HB2 6.500 . 6.500 5.688 5.183 6.330 . 0 0 "[ . 1]" 1 1075 1 63 GLU H 1 96 PRO HB3 6.500 . 6.500 6.323 5.490 6.608 0.108 6 0 "[ . 1]" 1 1076 1 63 GLU H 1 99 ALA MB 6.500 . 6.500 4.920 4.320 5.791 . 0 0 "[ . 1]" 1 1077 1 63 GLU HB2 1 64 CYS H 6.500 . 6.500 3.091 2.098 3.930 . 0 0 "[ . 1]" 1 1078 1 63 GLU HB3 1 64 CYS H 6.500 . 6.500 2.831 1.962 4.072 . 0 0 "[ . 1]" 1 1079 1 63 GLU HG2 1 64 CYS H 6.500 . 6.500 4.320 3.708 5.125 . 0 0 "[ . 1]" 1 1080 1 63 GLU HG3 1 64 CYS H 6.500 . 6.500 4.331 3.361 4.986 . 0 0 "[ . 1]" 1 1081 1 64 CYS H 1 65 ARG H 6.500 . 6.500 4.413 4.366 4.481 . 0 0 "[ . 1]" 1 1082 1 64 CYS HA 1 65 ARG H 6.500 . 6.500 2.229 2.119 2.609 . 0 0 "[ . 1]" 1 1083 1 64 CYS HA 1 95 CYS HA 6.500 . 6.500 3.050 2.339 4.694 . 0 0 "[ . 1]" 1 1084 1 64 CYS QB 1 94 TRP H 6.500 . 6.500 5.400 4.451 5.763 . 0 0 "[ . 1]" 1 1085 1 64 CYS QB 1 95 CYS H 6.500 . 6.500 5.023 3.522 6.285 . 0 0 "[ . 1]" 1 1086 1 64 CYS QB 1 95 CYS HA 5.500 . 5.500 3.328 1.750 4.997 . 0 0 "[ . 1]" 1 1087 1 64 CYS HB2 1 65 ARG H 6.500 . 6.500 3.441 3.191 4.098 . 0 0 "[ . 1]" 1 1088 1 64 CYS HB2 1 95 CYS HA 6.500 . 6.500 4.132 1.754 6.088 . 0 0 "[ . 1]" 1 1089 1 64 CYS HB3 1 65 ARG H 6.500 . 6.500 3.524 2.081 4.151 . 0 0 "[ . 1]" 1 1090 1 64 CYS HB3 1 95 CYS HA 6.500 . 6.500 3.817 3.259 5.310 . 0 0 "[ . 1]" 1 1091 1 65 ARG H 1 65 ARG HD2 6.500 . 6.500 4.058 2.232 5.508 . 0 0 "[ . 1]" 1 1092 1 65 ARG H 1 65 ARG HD3 6.500 . 6.500 4.230 3.066 5.400 . 0 0 "[ . 1]" 1 1093 1 65 ARG H 1 66 TYR H 6.500 . 6.500 4.289 4.111 4.498 . 0 0 "[ . 1]" 1 1094 1 65 ARG H 1 94 TRP H 6.500 . 6.500 3.968 3.394 5.659 . 0 0 "[ . 1]" 1 1095 1 65 ARG H 1 94 TRP HA 6.500 . 6.500 4.966 4.573 6.110 . 0 0 "[ . 1]" 1 1096 1 65 ARG H 1 94 TRP HB2 6.500 . 6.500 4.652 3.619 5.619 . 0 0 "[ . 1]" 1 1097 1 65 ARG H 1 94 TRP HB3 6.500 . 6.500 3.195 2.525 4.022 . 0 0 "[ . 1]" 1 1098 1 65 ARG H 1 95 CYS HA 6.500 . 6.500 4.121 3.552 5.377 . 0 0 "[ . 1]" 1 1099 1 65 ARG H 1 95 CYS QB 6.500 . 6.500 3.605 2.472 5.384 . 0 0 "[ . 1]" 1 1100 1 65 ARG HA 1 94 TRP HB2 6.500 . 6.500 6.222 4.856 6.575 0.075 7 0 "[ . 1]" 1 1101 1 65 ARG HA 1 94 TRP HB3 6.500 . 6.500 4.923 4.538 5.424 . 0 0 "[ . 1]" 1 1102 1 65 ARG HB2 1 66 TYR H 6.500 . 6.500 3.418 2.509 4.346 . 0 0 "[ . 1]" 1 1103 1 65 ARG HB2 1 94 TRP H 6.500 . 6.500 5.240 3.354 6.608 0.108 3 0 "[ . 1]" 1 1104 1 65 ARG HB3 1 66 TYR H 6.500 . 6.500 3.369 2.519 4.128 . 0 0 "[ . 1]" 1 1105 1 65 ARG HB3 1 94 TRP H 6.500 . 6.500 5.727 3.758 6.503 0.003 6 0 "[ . 1]" 1 1106 1 65 ARG HG2 1 66 TYR H 6.500 . 6.500 4.531 3.795 5.189 . 0 0 "[ . 1]" 1 1107 1 65 ARG HG3 1 66 TYR H 6.500 . 6.500 4.511 3.687 5.174 . 0 0 "[ . 1]" 1 1108 1 66 TYR H 1 66 TYR HE2 6.500 . 6.500 4.866 4.146 5.942 . 0 0 "[ . 1]" 1 1109 1 66 TYR H 1 67 GLY H 6.500 . 6.500 4.499 4.411 4.546 . 0 0 "[ . 1]" 1 1110 1 66 TYR H 1 114 LEU QD 6.500 . 6.500 4.893 4.134 5.764 . 0 0 "[ . 1]" 1 1111 1 66 TYR HA 1 67 GLY H 6.500 . 6.500 2.387 2.256 2.561 . 0 0 "[ . 1]" 1 1112 1 66 TYR HA 1 91 LEU QD 6.500 . 6.500 4.314 3.552 5.709 . 0 0 "[ . 1]" 1 1113 1 66 TYR HA 1 93 SER HA 6.500 . 6.500 2.516 2.119 3.545 . 0 0 "[ . 1]" 1 1114 1 66 TYR HA 1 94 TRP H 6.500 . 6.500 2.480 2.109 3.075 . 0 0 "[ . 1]" 1 1115 1 66 TYR QB 1 67 GLY H 6.500 . 6.500 2.612 2.209 2.945 . 0 0 "[ . 1]" 1 1116 1 66 TYR QB 1 93 SER QB 6.500 . 6.500 3.616 2.642 5.130 . 0 0 "[ . 1]" 1 1117 1 66 TYR QB 1 94 TRP H 6.500 . 6.500 3.806 1.851 4.927 . 0 0 "[ . 1]" 1 1118 1 66 TYR HB2 1 67 GLY H 6.500 . 6.500 3.124 2.228 3.690 . 0 0 "[ . 1]" 1 1119 1 66 TYR HB2 1 94 TRP H 6.500 . 6.500 4.917 2.574 6.047 . 0 0 "[ . 1]" 1 1120 1 66 TYR HB3 1 67 GLY H 6.500 . 6.500 3.108 2.426 3.711 . 0 0 "[ . 1]" 1 1121 1 66 TYR HB3 1 94 TRP H 6.500 . 6.500 3.984 1.898 5.270 . 0 0 "[ . 1]" 1 1122 1 67 GLY H 1 68 LEU H 6.500 . 6.500 4.247 4.035 4.395 . 0 0 "[ . 1]" 1 1123 1 67 GLY H 1 91 LEU HA 6.500 . 6.500 4.546 3.878 5.370 . 0 0 "[ . 1]" 1 1124 1 67 GLY H 1 91 LEU MD1 6.500 . 6.500 2.978 2.313 3.838 . 0 0 "[ . 1]" 1 1125 1 67 GLY H 1 91 LEU QD 6.500 . 6.500 2.960 2.309 3.797 . 0 0 "[ . 1]" 1 1126 1 67 GLY H 1 91 LEU MD2 6.500 . 6.500 5.275 4.619 6.026 . 0 0 "[ . 1]" 1 1127 1 67 GLY H 1 92 MET H 6.500 . 6.500 3.106 2.558 3.610 . 0 0 "[ . 1]" 1 1128 1 67 GLY H 1 92 MET HB2 6.500 . 6.500 5.139 4.791 5.723 . 0 0 "[ . 1]" 1 1129 1 67 GLY H 1 92 MET HB3 6.500 . 6.500 5.548 5.029 6.287 . 0 0 "[ . 1]" 1 1130 1 67 GLY H 1 92 MET HG2 6.500 . 6.500 3.865 3.136 4.472 . 0 0 "[ . 1]" 1 1131 1 67 GLY H 1 92 MET HG3 6.500 . 6.500 3.654 2.888 5.667 . 0 0 "[ . 1]" 1 1132 1 67 GLY H 1 92 MET O 4.000 . 4.000 2.198 1.838 2.808 . 0 0 "[ . 1]" 1 1133 1 67 GLY H 1 93 SER HA 6.500 . 6.500 3.555 2.978 3.965 . 0 0 "[ . 1]" 1 1134 1 67 GLY H 1 93 SER HB2 6.500 . 6.500 5.511 4.593 6.547 0.047 4 0 "[ . 1]" 1 1135 1 67 GLY H 1 93 SER QB 6.500 . 6.500 5.100 4.412 5.514 . 0 0 "[ . 1]" 1 1136 1 67 GLY H 1 93 SER HB3 6.500 . 6.500 6.188 5.599 6.550 0.050 1 0 "[ . 1]" 1 1137 1 67 GLY H 1 94 TRP H 6.500 . 6.500 4.112 3.546 4.776 . 0 0 "[ . 1]" 1 1138 1 67 GLY QA 1 92 MET H 6.500 . 6.500 3.997 3.339 4.632 . 0 0 "[ . 1]" 1 1139 1 67 GLY N 1 92 MET O 4.500 . 4.500 3.039 2.789 3.526 . 0 0 "[ . 1]" 1 1140 1 67 GLY O 1 92 MET H 4.000 . 4.000 2.108 1.837 2.387 . 0 0 "[ . 1]" 1 1141 1 67 GLY O 1 92 MET N 4.500 . 4.500 3.061 2.816 3.346 . 0 0 "[ . 1]" 1 1142 1 68 LEU H 1 69 PHE H 6.500 . 6.500 4.408 4.334 4.488 . 0 0 "[ . 1]" 1 1143 1 68 LEU HA 1 90 PHE H 6.500 . 6.500 4.736 4.222 5.270 . 0 0 "[ . 1]" 1 1144 1 68 LEU HA 1 91 LEU HA 5.500 . 5.500 2.584 2.442 2.811 . 0 0 "[ . 1]" 1 1145 1 68 LEU HA 1 91 LEU MD1 6.500 . 6.500 2.818 2.306 3.171 . 0 0 "[ . 1]" 1 1146 1 68 LEU HA 1 91 LEU QD 6.500 . 6.500 2.803 2.302 3.146 . 0 0 "[ . 1]" 1 1147 1 68 LEU HA 1 91 LEU MD2 6.500 . 6.500 5.059 4.801 5.277 . 0 0 "[ . 1]" 1 1148 1 68 LEU HA 1 92 MET H 5.500 . 5.500 3.777 3.306 4.174 . 0 0 "[ . 1]" 1 1149 1 68 LEU QB 1 91 LEU QD 6.500 . 6.500 2.799 2.468 3.173 . 0 0 "[ . 1]" 1 1150 1 68 LEU QB 1 118 LEU QD 6.500 . 6.500 2.277 1.923 2.734 . 0 0 "[ . 1]" 1 1151 1 68 LEU HB2 1 69 PHE H 6.500 . 6.500 4.248 4.095 4.419 . 0 0 "[ . 1]" 1 1152 1 68 LEU HB2 1 91 LEU MD1 6.500 . 6.500 2.867 2.508 3.275 . 0 0 "[ . 1]" 1 1153 1 68 LEU HB2 1 91 LEU MD2 6.500 . 6.500 4.839 4.490 5.147 . 0 0 "[ . 1]" 1 1154 1 68 LEU HB2 1 118 LEU HA 6.500 . 6.500 6.097 5.830 6.511 0.011 4 0 "[ . 1]" 1 1155 1 68 LEU HB2 1 118 LEU HB2 6.500 . 6.500 4.044 3.607 4.842 . 0 0 "[ . 1]" 1 1156 1 68 LEU HB2 1 118 LEU HB3 6.500 . 6.500 4.142 3.819 4.867 . 0 0 "[ . 1]" 1 1157 1 68 LEU HB3 1 69 PHE H 6.500 . 6.500 4.195 4.069 4.337 . 0 0 "[ . 1]" 1 1158 1 68 LEU HB3 1 91 LEU MD1 6.500 . 6.500 4.230 3.900 4.619 . 0 0 "[ . 1]" 1 1159 1 68 LEU HB3 1 91 LEU MD2 6.500 . 6.500 6.284 5.914 6.513 0.013 6 0 "[ . 1]" 1 1160 1 68 LEU HB3 1 118 LEU HA 6.500 . 6.500 6.596 6.544 6.666 0.166 2 0 "[ . 1]" 1 1161 1 68 LEU HB3 1 118 LEU HB2 6.500 . 6.500 4.896 4.213 6.123 . 0 0 "[ . 1]" 1 1162 1 68 LEU HB3 1 118 LEU HB3 6.500 . 6.500 4.846 4.628 5.079 . 0 0 "[ . 1]" 1 1163 1 68 LEU QD 1 92 MET H 6.500 . 6.500 4.793 3.970 5.564 . 0 0 "[ . 1]" 1 1164 1 68 LEU MD1 1 69 PHE H 6.500 . 6.500 2.840 2.053 4.696 . 0 0 "[ . 1]" 1 1165 1 68 LEU MD2 1 69 PHE H 6.500 . 6.500 3.620 1.881 4.720 . 0 0 "[ . 1]" 1 1166 1 68 LEU HG 1 69 PHE H 6.500 . 6.500 3.495 2.831 4.819 . 0 0 "[ . 1]" 1 1167 1 69 PHE H 1 70 ASP H 6.500 . 6.500 4.163 3.981 4.361 . 0 0 "[ . 1]" 1 1168 1 69 PHE H 1 90 PHE H 6.500 . 6.500 2.954 2.581 3.422 . 0 0 "[ . 1]" 1 1169 1 69 PHE H 1 90 PHE QB 6.500 . 6.500 4.066 3.466 5.125 . 0 0 "[ . 1]" 1 1170 1 69 PHE H 1 90 PHE O 4.000 . 4.000 1.953 1.757 2.446 . 0 0 "[ . 1]" 1 1171 1 69 PHE H 1 91 LEU HA 6.500 . 6.500 3.482 2.937 3.881 . 0 0 "[ . 1]" 1 1172 1 69 PHE H 1 91 LEU HB2 6.500 . 6.500 4.951 4.684 5.268 . 0 0 "[ . 1]" 1 1173 1 69 PHE H 1 91 LEU HB3 6.500 . 6.500 6.052 5.770 6.380 . 0 0 "[ . 1]" 1 1174 1 69 PHE H 1 91 LEU QD 6.500 . 6.500 4.361 3.810 4.705 . 0 0 "[ . 1]" 1 1175 1 69 PHE HB2 1 70 ASP H 6.500 . 6.500 4.549 4.426 4.649 . 0 0 "[ . 1]" 1 1176 1 69 PHE HB2 1 89 LEU HB3 6.500 . 6.500 6.599 6.550 6.645 0.145 2 0 "[ . 1]" 1 1177 1 69 PHE HB2 1 90 PHE H 6.500 . 6.500 4.320 3.878 4.906 . 0 0 "[ . 1]" 1 1178 1 69 PHE HB3 1 70 ASP H 6.500 . 6.500 4.106 3.954 4.273 . 0 0 "[ . 1]" 1 1179 1 69 PHE HB3 1 89 LEU HB3 6.500 . 6.500 5.880 5.711 6.105 . 0 0 "[ . 1]" 1 1180 1 69 PHE HB3 1 90 PHE H 6.500 . 6.500 3.192 2.891 3.651 . 0 0 "[ . 1]" 1 1181 1 69 PHE HD1 1 72 GLU H 6.500 . 6.500 6.405 6.192 6.511 0.011 6 0 "[ . 1]" 1 1182 1 69 PHE HE1 1 72 GLU H 6.500 . 6.500 5.927 5.411 6.529 0.029 2 0 "[ . 1]" 1 1183 1 69 PHE N 1 90 PHE O 4.500 . 4.500 2.880 2.731 3.337 . 0 0 "[ . 1]" 1 1184 1 69 PHE O 1 90 PHE H 4.000 . 4.000 1.847 1.645 2.338 . 0 0 "[ . 1]" 1 1185 1 69 PHE O 1 90 PHE N 4.500 . 4.500 2.789 2.624 3.223 . 0 0 "[ . 1]" 1 1186 1 70 ASP H 1 71 PHE H 6.500 . 6.500 4.166 3.980 4.358 . 0 0 "[ . 1]" 1 1187 1 70 ASP H 1 89 LEU QD 6.500 . 6.500 4.622 4.129 5.227 . 0 0 "[ . 1]" 1 1188 1 70 ASP HA 1 71 PHE H 6.500 . 6.500 2.151 2.116 2.180 . 0 0 "[ . 1]" 1 1189 1 70 ASP HA 1 88 LYS H 6.500 . 6.500 4.175 3.913 4.496 . 0 0 "[ . 1]" 1 1190 1 70 ASP HA 1 89 LEU HA 5.500 . 5.500 2.207 1.953 2.610 . 0 0 "[ . 1]" 1 1191 1 70 ASP HA 1 89 LEU HB2 6.500 . 6.500 4.855 4.721 4.962 . 0 0 "[ . 1]" 1 1192 1 70 ASP HA 1 89 LEU HB3 6.500 . 6.500 4.042 3.799 4.260 . 0 0 "[ . 1]" 1 1193 1 70 ASP HA 1 89 LEU MD1 6.500 . 6.500 3.942 3.566 4.226 . 0 0 "[ . 1]" 1 1194 1 70 ASP HA 1 89 LEU MD2 6.500 . 6.500 4.269 3.890 4.589 . 0 0 "[ . 1]" 1 1195 1 70 ASP HA 1 90 PHE H 6.500 . 6.500 3.570 3.119 4.181 . 0 0 "[ . 1]" 1 1196 1 70 ASP HB2 1 71 PHE H 6.500 . 6.500 4.371 4.300 4.460 . 0 0 "[ . 1]" 1 1197 1 70 ASP HB2 1 89 LEU HB2 6.500 . 6.500 4.748 4.118 6.663 0.163 2 0 "[ . 1]" 1 1198 1 70 ASP HB2 1 89 LEU HB3 6.500 . 6.500 3.754 3.049 5.292 . 0 0 "[ . 1]" 1 1199 1 70 ASP HB2 1 89 LEU MD1 6.500 . 6.500 3.570 2.784 5.429 . 0 0 "[ . 1]" 1 1200 1 70 ASP HB2 1 89 LEU MD2 6.500 . 6.500 2.882 2.311 4.534 . 0 0 "[ . 1]" 1 1201 1 70 ASP HB2 1 90 PHE H 6.500 . 6.500 4.995 4.512 5.846 . 0 0 "[ . 1]" 1 1202 1 70 ASP HB3 1 71 PHE H 6.500 . 6.500 4.349 3.788 4.487 . 0 0 "[ . 1]" 1 1203 1 70 ASP HB3 1 89 LEU HB2 6.500 . 6.500 6.220 5.770 6.556 0.056 1 0 "[ . 1]" 1 1204 1 70 ASP HB3 1 89 LEU HB3 6.500 . 6.500 5.179 4.654 5.454 . 0 0 "[ . 1]" 1 1205 1 70 ASP HB3 1 89 LEU MD1 6.500 . 6.500 4.540 4.107 4.961 . 0 0 "[ . 1]" 1 1206 1 70 ASP HB3 1 89 LEU MD2 6.500 . 6.500 3.911 3.346 4.305 . 0 0 "[ . 1]" 1 1207 1 70 ASP HB3 1 90 PHE H 6.500 . 6.500 5.986 5.675 6.535 0.035 4 0 "[ . 1]" 1 1208 1 71 PHE H 1 71 PHE HE1 6.500 . 6.500 4.985 4.203 5.694 . 0 0 "[ . 1]" 1 1209 1 71 PHE H 1 71 PHE HE2 6.500 . 6.500 5.290 4.585 6.251 . 0 0 "[ . 1]" 1 1210 1 71 PHE H 1 72 GLU H 6.500 . 6.500 4.379 4.332 4.422 . 0 0 "[ . 1]" 1 1211 1 71 PHE H 1 87 GLN HA 6.500 . 6.500 4.372 3.993 4.745 . 0 0 "[ . 1]" 1 1212 1 71 PHE H 1 87 GLN HB2 6.500 . 6.500 4.811 4.008 5.960 . 0 0 "[ . 1]" 1 1213 1 71 PHE H 1 88 LYS H 6.500 . 6.500 3.111 2.744 3.812 . 0 0 "[ . 1]" 1 1214 1 71 PHE H 1 88 LYS O 4.000 . 4.000 2.505 2.135 3.316 . 0 0 "[ . 1]" 1 1215 1 71 PHE H 1 89 LEU H 6.500 . 6.500 5.233 4.954 5.702 . 0 0 "[ . 1]" 1 1216 1 71 PHE H 1 89 LEU HA 6.500 . 6.500 3.738 3.447 4.147 . 0 0 "[ . 1]" 1 1217 1 71 PHE H 1 89 LEU HB2 6.500 . 6.500 6.502 6.279 6.677 0.177 4 0 "[ . 1]" 1 1218 1 71 PHE H 1 89 LEU HB3 6.500 . 6.500 5.974 5.666 6.245 . 0 0 "[ . 1]" 1 1219 1 71 PHE H 1 89 LEU QD 6.500 . 6.500 4.761 4.472 5.004 . 0 0 "[ . 1]" 1 1220 1 71 PHE H 1 89 LEU HG 6.500 . 6.500 4.786 4.308 5.213 . 0 0 "[ . 1]" 1 1221 1 71 PHE HA 1 72 GLU H 6.500 . 6.500 2.242 2.113 2.310 . 0 0 "[ . 1]" 1 1222 1 71 PHE QB 1 72 GLU H 6.500 . 6.500 2.633 2.386 2.845 . 0 0 "[ . 1]" 1 1223 1 71 PHE QB 1 88 LYS H 6.500 . 6.500 5.159 4.788 5.873 . 0 0 "[ . 1]" 1 1224 1 71 PHE QB 1 88 LYS QD 6.500 . 6.500 6.272 5.645 6.589 0.089 9 0 "[ . 1]" 1 1225 1 71 PHE HB2 1 72 GLU H 6.500 . 6.500 2.679 2.415 2.914 . 0 0 "[ . 1]" 1 1226 1 71 PHE HB3 1 72 GLU H 6.500 . 6.500 3.889 3.722 4.064 . 0 0 "[ . 1]" 1 1227 1 71 PHE HD2 1 88 LYS H 6.500 . 6.500 5.712 5.011 6.723 0.223 5 0 "[ . 1]" 1 1228 1 71 PHE N 1 88 LYS O 4.500 . 4.500 3.433 3.095 4.203 . 0 0 "[ . 1]" 1 1229 1 71 PHE O 1 88 LYS H 4.500 . 4.500 2.161 1.713 2.890 . 0 0 "[ . 1]" 1 1230 1 71 PHE O 1 88 LYS N 4.500 . 4.500 3.104 2.696 3.864 . 0 0 "[ . 1]" 1 1231 1 72 GLU H 1 73 TYR H 6.500 . 6.500 4.307 4.214 4.429 . 0 0 "[ . 1]" 1 1232 1 72 GLU H 1 85 LYS HG2 6.500 . 6.500 5.569 4.556 6.042 . 0 0 "[ . 1]" 1 1233 1 72 GLU H 1 85 LYS HG3 6.500 . 6.500 5.839 5.395 6.552 0.052 2 0 "[ . 1]" 1 1234 1 72 GLU HA 1 73 TYR H 5.500 . 5.500 2.126 2.081 2.175 . 0 0 "[ . 1]" 1 1235 1 72 GLU HA 1 86 LYS H 6.500 . 6.500 4.340 3.985 4.679 . 0 0 "[ . 1]" 1 1236 1 72 GLU HA 1 88 LYS H 5.500 . 5.500 3.388 2.618 4.098 . 0 0 "[ . 1]" 1 1237 1 72 GLU QB 1 73 TYR H 5.500 . 5.500 3.436 3.305 3.505 . 0 0 "[ . 1]" 1 1238 1 72 GLU QB 1 86 LYS H 6.500 . 6.500 4.243 3.727 4.821 . 0 0 "[ . 1]" 1 1239 1 72 GLU QB 1 88 LYS H 6.500 . 6.500 4.888 4.072 5.518 . 0 0 "[ . 1]" 1 1240 1 73 TYR H 1 74 MET H 6.500 . 6.500 4.398 4.276 4.446 . 0 0 "[ . 1]" 1 1241 1 73 TYR H 1 85 LYS HA 6.500 . 6.500 4.328 3.868 4.711 . 0 0 "[ . 1]" 1 1242 1 73 TYR H 1 85 LYS HG2 6.500 . 6.500 4.212 3.691 5.240 . 0 0 "[ . 1]" 1 1243 1 73 TYR H 1 85 LYS HG3 6.500 . 6.500 4.489 3.635 5.519 . 0 0 "[ . 1]" 1 1244 1 73 TYR H 1 86 LYS H 6.500 . 6.500 3.354 3.044 4.319 . 0 0 "[ . 1]" 1 1245 1 73 TYR H 1 87 GLN HA 6.500 . 6.500 3.340 2.914 3.913 . 0 0 "[ . 1]" 1 1246 1 73 TYR HA 1 74 MET H 5.500 . 5.500 2.169 2.132 2.232 . 0 0 "[ . 1]" 1 1247 1 73 TYR QB 1 143 ARG QB 6.500 . 6.500 5.963 4.978 6.551 0.051 3 0 "[ . 1]" 1 1248 1 73 TYR HB2 1 74 MET H 6.500 . 6.500 4.318 4.142 4.438 . 0 0 "[ . 1]" 1 1249 1 73 TYR HB3 1 74 MET H 6.500 . 6.500 3.962 3.741 4.136 . 0 0 "[ . 1]" 1 1250 1 73 TYR HD1 1 74 MET H 6.500 . 6.500 3.164 2.292 4.277 . 0 0 "[ . 1]" 1 1251 1 73 TYR HD2 1 74 MET H 6.500 . 6.500 4.803 4.274 5.294 . 0 0 "[ . 1]" 1 1252 1 73 TYR HE1 1 74 MET H 6.500 . 6.500 4.555 3.830 5.567 . 0 0 "[ . 1]" 1 1253 1 73 TYR HE2 1 139 GLU H 6.500 . 6.500 6.217 5.138 6.577 0.077 2 0 "[ . 1]" 1 1254 1 73 TYR O 1 86 LYS H 4.500 . 4.500 2.217 1.756 3.006 . 0 0 "[ . 1]" 1 1255 1 73 TYR O 1 86 LYS N 4.500 . 4.500 3.114 2.737 3.707 . 0 0 "[ . 1]" 1 1256 1 74 MET H 1 75 HIS H 6.500 . 6.500 4.434 4.266 4.590 . 0 0 "[ . 1]" 1 1257 1 74 MET HA 1 75 HIS H 5.000 . 5.000 2.166 2.120 2.254 . 0 0 "[ . 1]" 1 1258 1 74 MET HA 1 83 SER HB2 6.500 . 6.500 5.804 5.260 6.557 0.057 3 0 "[ . 1]" 1 1259 1 74 MET HA 1 83 SER HB3 6.500 . 6.500 4.617 3.913 5.588 . 0 0 "[ . 1]" 1 1260 1 74 MET HA 1 84 SER H 6.500 . 6.500 4.514 4.138 4.903 . 0 0 "[ . 1]" 1 1261 1 74 MET HA 1 85 LYS HA 6.500 . 6.500 2.025 1.765 2.192 . 0 0 "[ . 1]" 1 1262 1 74 MET HA 1 85 LYS HD2 6.500 . 6.500 5.892 4.208 6.541 0.041 8 0 "[ . 1]" 1 1263 1 74 MET HA 1 85 LYS HD3 6.500 . 6.500 6.081 5.286 6.535 0.035 8 0 "[ . 1]" 1 1264 1 74 MET HA 1 85 LYS HG2 6.500 . 6.500 4.570 3.371 5.254 . 0 0 "[ . 1]" 1 1265 1 74 MET HA 1 85 LYS HG3 6.500 . 6.500 4.011 3.065 5.319 . 0 0 "[ . 1]" 1 1266 1 74 MET HA 1 86 LYS H 6.500 . 6.500 3.267 2.843 3.926 . 0 0 "[ . 1]" 1 1267 1 74 MET QB 1 85 LYS H 6.500 . 6.500 3.814 3.262 4.362 . 0 0 "[ . 1]" 1 1268 1 74 MET HB2 1 75 HIS H 6.500 . 6.500 3.261 2.850 3.714 . 0 0 "[ . 1]" 1 1269 1 74 MET HB2 1 83 SER HB2 6.500 . 6.500 3.738 3.282 4.537 . 0 0 "[ . 1]" 1 1270 1 74 MET HB2 1 83 SER HB3 6.500 . 6.500 2.362 1.670 3.267 . 0 0 "[ . 1]" 1 1271 1 74 MET HB2 1 84 SER H 6.500 . 6.500 4.321 3.725 4.988 . 0 0 "[ . 1]" 1 1272 1 74 MET HB2 1 85 LYS HA 6.500 . 6.500 3.646 2.922 4.026 . 0 0 "[ . 1]" 1 1273 1 74 MET HB2 1 85 LYS HB2 6.500 . 6.500 3.589 2.801 4.632 . 0 0 "[ . 1]" 1 1274 1 74 MET HB2 1 85 LYS HB3 6.500 . 6.500 5.153 4.490 6.040 . 0 0 "[ . 1]" 1 1275 1 74 MET HB2 1 86 LYS H 6.500 . 6.500 5.477 4.792 6.103 . 0 0 "[ . 1]" 1 1276 1 74 MET HB3 1 75 HIS H 6.500 . 6.500 4.177 4.020 4.356 . 0 0 "[ . 1]" 1 1277 1 74 MET HB3 1 83 SER HB2 6.500 . 6.500 4.962 4.435 5.865 . 0 0 "[ . 1]" 1 1278 1 74 MET HB3 1 83 SER HB3 6.500 . 6.500 3.760 3.158 4.612 . 0 0 "[ . 1]" 1 1279 1 74 MET HB3 1 84 SER H 6.500 . 6.500 5.658 5.083 6.165 . 0 0 "[ . 1]" 1 1280 1 74 MET HB3 1 85 LYS HA 6.500 . 6.500 2.872 2.177 3.388 . 0 0 "[ . 1]" 1 1281 1 74 MET HB3 1 85 LYS HB2 6.500 . 6.500 2.576 1.884 3.725 . 0 0 "[ . 1]" 1 1282 1 74 MET HB3 1 85 LYS HB3 6.500 . 6.500 4.200 3.523 5.320 . 0 0 "[ . 1]" 1 1283 1 74 MET HB3 1 86 LYS H 6.500 . 6.500 4.801 3.963 5.424 . 0 0 "[ . 1]" 1 1284 1 74 MET HG2 1 75 HIS H 6.500 . 6.500 5.062 4.909 5.240 . 0 0 "[ . 1]" 1 1285 1 74 MET HG3 1 75 HIS H 6.500 . 6.500 4.381 3.972 4.745 . 0 0 "[ . 1]" 1 1286 1 75 HIS H 1 75 HIS HD2 6.500 . 6.500 4.387 2.921 5.305 . 0 0 "[ . 1]" 1 1287 1 75 HIS H 1 76 GLN H 6.500 . 6.500 4.332 4.163 4.472 . 0 0 "[ . 1]" 1 1288 1 75 HIS H 1 83 SER HB2 6.500 . 6.500 5.770 5.546 6.195 . 0 0 "[ . 1]" 1 1289 1 75 HIS H 1 83 SER HB3 6.500 . 6.500 4.698 4.209 5.397 . 0 0 "[ . 1]" 1 1290 1 75 HIS H 1 84 SER H 6.500 . 6.500 3.194 2.717 3.511 . 0 0 "[ . 1]" 1 1291 1 75 HIS H 1 84 SER HA 6.500 . 6.500 4.535 4.372 4.694 . 0 0 "[ . 1]" 1 1292 1 75 HIS H 1 84 SER QB 6.500 . 6.500 3.305 3.014 3.543 . 0 0 "[ . 1]" 1 1293 1 75 HIS H 1 84 SER O 4.500 . 4.500 2.163 1.803 2.593 . 0 0 "[ . 1]" 1 1294 1 75 HIS H 1 85 LYS HA 6.500 . 6.500 3.743 3.263 4.060 . 0 0 "[ . 1]" 1 1295 1 75 HIS HA 1 76 GLN H 5.500 . 5.500 2.171 2.110 2.211 . 0 0 "[ . 1]" 1 1296 1 75 HIS HA 1 83 SER H 6.500 . 6.500 5.751 4.924 6.559 0.059 2 0 "[ . 1]" 1 1297 1 75 HIS HB2 1 76 GLN H 6.500 . 6.500 4.106 3.217 4.544 . 0 0 "[ . 1]" 1 1298 1 75 HIS HB2 1 84 SER H 6.500 . 6.500 5.044 4.511 5.801 . 0 0 "[ . 1]" 1 1299 1 75 HIS HB3 1 76 GLN H 6.500 . 6.500 3.650 3.025 4.267 . 0 0 "[ . 1]" 1 1300 1 75 HIS HB3 1 84 SER H 6.500 . 6.500 4.989 3.979 5.749 . 0 0 "[ . 1]" 1 1301 1 75 HIS N 1 84 SER O 4.500 . 4.500 3.079 2.744 3.459 . 0 0 "[ . 1]" 1 1302 1 75 HIS O 1 84 SER H 4.500 . 4.500 2.140 1.860 2.556 . 0 0 "[ . 1]" 1 1303 1 75 HIS O 1 84 SER N 4.500 . 4.500 2.926 2.750 3.358 . 0 0 "[ . 1]" 1 1304 1 76 GLN H 1 77 CYS H 6.500 . 6.500 4.449 4.354 4.618 . 0 0 "[ . 1]" 1 1305 1 76 GLN H 1 83 SER HA 6.500 . 6.500 3.784 3.660 4.119 . 0 0 "[ . 1]" 1 1306 1 76 GLN H 1 83 SER HB2 6.500 . 6.500 6.484 5.978 6.580 0.080 5 0 "[ . 1]" 1 1307 1 76 GLN H 1 83 SER HB3 6.500 . 6.500 5.479 4.647 6.007 . 0 0 "[ . 1]" 1 1308 1 76 GLN HA 1 77 CYS H 5.500 . 5.500 2.212 2.139 2.369 . 0 0 "[ . 1]" 1 1309 1 76 GLN HA 1 83 SER H 5.500 . 5.500 2.501 1.785 3.521 . 0 0 "[ . 1]" 1 1310 1 76 GLN HA 1 83 SER HA 6.500 . 6.500 2.968 2.339 3.733 . 0 0 "[ . 1]" 1 1311 1 76 GLN HA 1 84 SER H 6.500 . 6.500 3.427 2.985 3.999 . 0 0 "[ . 1]" 1 1312 1 76 GLN QB 1 77 CYS H 6.500 . 6.500 3.109 2.535 3.400 . 0 0 "[ . 1]" 1 1313 1 76 GLN QB 1 83 SER H 6.500 . 6.500 3.155 1.758 4.554 . 0 0 "[ . 1]" 1 1314 1 76 GLN QB 1 84 SER H 6.500 . 6.500 4.872 3.603 5.786 . 0 0 "[ . 1]" 1 1315 1 76 GLN HB2 1 77 CYS H 6.500 . 6.500 3.612 2.572 4.380 . 0 0 "[ . 1]" 1 1316 1 76 GLN HB3 1 77 CYS H 6.500 . 6.500 3.763 3.513 4.291 . 0 0 "[ . 1]" 1 1317 1 76 GLN QG 1 77 CYS H 6.500 . 6.500 4.223 3.732 4.508 . 0 0 "[ . 1]" 1 1318 1 76 GLN QG 1 83 SER H 6.500 . 6.500 3.599 2.400 5.125 . 0 0 "[ . 1]" 1 1319 1 76 GLN QG 1 83 SER QB 6.500 . 6.500 4.356 3.652 5.850 . 0 0 "[ . 1]" 1 1320 1 76 GLN QG 1 84 SER H 6.500 . 6.500 5.217 4.478 6.041 . 0 0 "[ . 1]" 1 1321 1 77 CYS H 1 78 GLN H 6.500 . 6.500 4.410 4.059 4.556 . 0 0 "[ . 1]" 1 1322 1 77 CYS H 1 78 GLN HA 6.500 . 6.500 6.080 5.767 6.264 . 0 0 "[ . 1]" 1 1323 1 77 CYS QB 1 78 GLN H 6.500 . 6.500 3.357 2.828 3.961 . 0 0 "[ . 1]" 1 1324 1 77 CYS HB2 1 78 GLN H 6.500 . 6.500 3.947 2.980 4.453 . 0 0 "[ . 1]" 1 1325 1 77 CYS HB3 1 78 GLN H 6.500 . 6.500 3.757 2.903 4.439 . 0 0 "[ . 1]" 1 1326 1 78 GLN H 1 79 GLY H 6.500 . 6.500 2.696 2.522 2.975 . 0 0 "[ . 1]" 1 1327 1 78 GLN H 1 80 THR H 6.500 . 6.500 4.424 4.139 4.843 . 0 0 "[ . 1]" 1 1328 1 78 GLN HB2 1 79 GLY H 6.500 . 6.500 4.110 3.760 4.536 . 0 0 "[ . 1]" 1 1329 1 78 GLN HB2 1 80 THR H 6.500 . 6.500 3.738 2.807 4.859 . 0 0 "[ . 1]" 1 1330 1 78 GLN HB3 1 79 GLY H 6.500 . 6.500 4.114 3.205 4.445 . 0 0 "[ . 1]" 1 1331 1 78 GLN HB3 1 80 THR H 6.500 . 6.500 3.710 2.869 4.611 . 0 0 "[ . 1]" 1 1332 1 78 GLN HG2 1 79 GLY H 6.500 . 6.500 4.978 4.216 5.340 . 0 0 "[ . 1]" 1 1333 1 78 GLN HG3 1 79 GLY H 6.500 . 6.500 4.933 4.629 5.169 . 0 0 "[ . 1]" 1 1334 1 79 GLY H 1 80 THR H 6.500 . 6.500 2.603 2.134 3.154 . 0 0 "[ . 1]" 1 1335 1 79 GLY QA 1 80 THR HA 6.500 . 6.500 4.057 3.978 4.137 . 0 0 "[ . 1]" 1 1336 1 79 GLY QA 1 80 THR HB 6.500 . 6.500 5.073 5.013 5.161 . 0 0 "[ . 1]" 1 1337 1 79 GLY HA2 1 80 THR HB 6.500 . 6.500 5.773 5.540 6.014 . 0 0 "[ . 1]" 1 1338 1 79 GLY HA3 1 80 THR HB 6.500 . 6.500 5.637 5.421 5.792 . 0 0 "[ . 1]" 1 1339 1 80 THR H 1 81 SER H 6.500 . 6.500 4.502 4.334 4.606 . 0 0 "[ . 1]" 1 1340 1 80 THR HB 1 81 SER H 6.500 . 6.500 4.056 3.722 4.262 . 0 0 "[ . 1]" 1 1341 1 80 THR HB 1 82 GLU QB 6.500 . 6.500 4.172 3.129 4.987 . 0 0 "[ . 1]" 1 1342 1 80 THR HB 1 82 GLU HG2 6.500 . 6.500 3.546 2.702 6.163 . 0 0 "[ . 1]" 1 1343 1 80 THR HB 1 82 GLU HG3 6.500 . 6.500 4.359 3.701 5.378 . 0 0 "[ . 1]" 1 1344 1 80 THR MG 1 81 SER H 6.500 . 6.500 2.630 2.221 3.006 . 0 0 "[ . 1]" 1 1345 1 80 THR MG 1 82 GLU H 6.500 . 6.500 3.036 1.877 4.023 . 0 0 "[ . 1]" 1 1346 1 81 SER H 1 82 GLU H 6.500 . 6.500 3.477 2.917 3.865 . 0 0 "[ . 1]" 1 1347 1 81 SER HB2 1 82 GLU H 6.500 . 6.500 4.409 4.021 4.634 . 0 0 "[ . 1]" 1 1348 1 81 SER HB3 1 82 GLU H 6.500 . 6.500 4.408 4.246 4.625 . 0 0 "[ . 1]" 1 1349 1 82 GLU H 1 83 SER H 6.500 . 6.500 2.394 2.139 2.588 . 0 0 "[ . 1]" 1 1350 1 82 GLU HA 1 83 SER H 6.500 . 6.500 3.496 3.461 3.534 . 0 0 "[ . 1]" 1 1351 1 82 GLU QB 1 83 SER H 6.500 . 6.500 2.590 2.379 2.860 . 0 0 "[ . 1]" 1 1352 1 82 GLU QB 1 84 SER QB 6.500 . 6.500 4.261 3.683 5.099 . 0 0 "[ . 1]" 1 1353 1 82 GLU HB2 1 83 SER H 6.500 . 6.500 2.767 2.432 3.763 . 0 0 "[ . 1]" 1 1354 1 82 GLU HB3 1 83 SER H 6.500 . 6.500 3.503 2.790 3.747 . 0 0 "[ . 1]" 1 1355 1 82 GLU HG2 1 83 SER H 6.500 . 6.500 4.389 4.071 4.970 . 0 0 "[ . 1]" 1 1356 1 82 GLU HG3 1 83 SER H 6.500 . 6.500 4.963 4.802 5.296 . 0 0 "[ . 1]" 1 1357 1 83 SER H 1 84 SER H 6.500 . 6.500 3.057 2.758 3.438 . 0 0 "[ . 1]" 1 1358 1 83 SER HA 1 85 LYS HA 6.500 . 6.500 5.860 5.535 6.346 . 0 0 "[ . 1]" 1 1359 1 83 SER HB2 1 84 SER H 6.500 . 6.500 4.383 4.128 4.491 . 0 0 "[ . 1]" 1 1360 1 83 SER HB3 1 84 SER H 6.500 . 6.500 4.290 3.976 4.493 . 0 0 "[ . 1]" 1 1361 1 84 SER H 1 85 LYS H 6.500 . 6.500 4.318 4.137 4.552 . 0 0 "[ . 1]" 1 1362 1 84 SER QB 1 85 LYS H 6.500 . 6.500 3.579 3.135 3.946 . 0 0 "[ . 1]" 1 1363 1 84 SER HB2 1 85 LYS H 6.500 . 6.500 4.362 4.055 4.479 . 0 0 "[ . 1]" 1 1364 1 84 SER HB3 1 85 LYS H 6.500 . 6.500 3.813 3.263 4.382 . 0 0 "[ . 1]" 1 1365 1 85 LYS H 1 85 LYS HD2 6.500 . 6.500 4.914 4.303 6.013 . 0 0 "[ . 1]" 1 1366 1 85 LYS H 1 85 LYS HD3 6.500 . 6.500 5.314 4.440 5.972 . 0 0 "[ . 1]" 1 1367 1 85 LYS H 1 85 LYS HE2 6.500 . 6.500 6.002 4.547 6.636 0.136 10 0 "[ . 1]" 1 1368 1 85 LYS H 1 85 LYS HE3 6.500 . 6.500 5.635 4.301 6.605 0.105 10 0 "[ . 1]" 1 1369 1 85 LYS H 1 86 LYS H 6.500 . 6.500 4.210 3.831 4.479 . 0 0 "[ . 1]" 1 1370 1 85 LYS HB2 1 86 LYS H 6.500 . 6.500 4.435 4.227 4.656 . 0 0 "[ . 1]" 1 1371 1 85 LYS HB3 1 86 LYS H 6.500 . 6.500 4.349 4.100 4.457 . 0 0 "[ . 1]" 1 1372 1 85 LYS HD2 1 86 LYS H 6.500 . 6.500 5.590 3.950 6.478 . 0 0 "[ . 1]" 1 1373 1 85 LYS HD3 1 86 LYS H 6.500 . 6.500 5.537 3.860 6.161 . 0 0 "[ . 1]" 1 1374 1 85 LYS HG2 1 86 LYS H 6.500 . 6.500 3.574 2.912 4.088 . 0 0 "[ . 1]" 1 1375 1 85 LYS HG3 1 86 LYS H 6.500 . 6.500 4.092 3.204 5.090 . 0 0 "[ . 1]" 1 1376 1 86 LYS H 1 86 LYS HE2 6.500 . 6.500 5.208 4.295 6.178 . 0 0 "[ . 1]" 1 1377 1 86 LYS H 1 86 LYS HE3 6.500 . 6.500 5.150 4.018 5.968 . 0 0 "[ . 1]" 1 1378 1 86 LYS H 1 87 GLN H 6.500 . 6.500 4.365 4.178 4.528 . 0 0 "[ . 1]" 1 1379 1 86 LYS HA 1 87 GLN H 5.500 . 5.500 2.189 2.143 2.260 . 0 0 "[ . 1]" 1 1380 1 86 LYS HA 1 88 LYS QD 6.500 . 6.500 4.814 3.682 5.993 . 0 0 "[ . 1]" 1 1381 1 86 LYS HA 1 88 LYS HG2 6.500 . 6.500 6.177 5.144 6.649 0.149 7 0 "[ . 1]" 1 1382 1 86 LYS HA 1 88 LYS HG3 6.500 . 6.500 5.106 4.613 5.429 . 0 0 "[ . 1]" 1 1383 1 86 LYS HB2 1 87 GLN H 6.500 . 6.500 4.219 3.932 4.477 . 0 0 "[ . 1]" 1 1384 1 86 LYS HB3 1 87 GLN H 6.500 . 6.500 3.822 2.884 4.316 . 0 0 "[ . 1]" 1 1385 1 86 LYS QD 1 87 GLN H 6.500 . 6.500 4.108 2.675 5.333 . 0 0 "[ . 1]" 1 1386 1 86 LYS QD 1 88 LYS QG 5.500 . 5.500 3.988 2.051 5.066 . 0 0 "[ . 1]" 1 1387 1 86 LYS HD2 1 87 GLN H 6.500 . 6.500 4.895 3.477 6.257 . 0 0 "[ . 1]" 1 1388 1 86 LYS HD3 1 87 GLN H 6.500 . 6.500 4.607 2.730 5.781 . 0 0 "[ . 1]" 1 1389 1 86 LYS HG2 1 87 GLN H 6.500 . 6.500 4.086 3.010 4.847 . 0 0 "[ . 1]" 1 1390 1 86 LYS HG3 1 87 GLN H 6.500 . 6.500 3.648 2.164 5.393 . 0 0 "[ . 1]" 1 1391 1 87 GLN H 1 88 LYS H 6.500 . 6.500 4.468 4.415 4.551 . 0 0 "[ . 1]" 1 1392 1 87 GLN H 1 88 LYS HG2 6.500 . 6.500 5.783 4.932 6.163 . 0 0 "[ . 1]" 1 1393 1 87 GLN H 1 88 LYS HG3 6.500 . 6.500 4.476 4.129 4.718 . 0 0 "[ . 1]" 1 1394 1 87 GLN HB2 1 88 LYS H 6.500 . 6.500 3.432 3.145 4.230 . 0 0 "[ . 1]" 1 1395 1 87 GLN HB3 1 88 LYS H 6.500 . 6.500 4.125 3.328 4.445 . 0 0 "[ . 1]" 1 1396 1 87 GLN HG2 1 88 LYS H 6.500 . 6.500 4.593 4.034 5.408 . 0 0 "[ . 1]" 1 1397 1 87 GLN HG3 1 88 LYS H 6.500 . 6.500 4.925 3.473 5.421 . 0 0 "[ . 1]" 1 1398 1 88 LYS H 1 88 LYS QD 5.500 . 5.500 3.078 1.910 4.280 . 0 0 "[ . 1]" 1 1399 1 88 LYS H 1 89 LEU H 6.500 . 6.500 4.261 4.154 4.370 . 0 0 "[ . 1]" 1 1400 1 88 LYS HA 1 89 LEU H 5.500 . 5.500 2.159 2.107 2.260 . 0 0 "[ . 1]" 1 1401 1 88 LYS HB2 1 89 LEU H 6.500 . 6.500 4.014 3.464 4.275 . 0 0 "[ . 1]" 1 1402 1 88 LYS HB3 1 89 LEU H 6.500 . 6.500 3.260 2.753 3.722 . 0 0 "[ . 1]" 1 1403 1 88 LYS HG2 1 89 LEU H 6.500 . 6.500 4.940 4.489 5.624 . 0 0 "[ . 1]" 1 1404 1 88 LYS HG3 1 89 LEU H 6.500 . 6.500 4.787 4.327 5.255 . 0 0 "[ . 1]" 1 1405 1 89 LEU H 1 90 PHE H 6.500 . 6.500 4.414 4.296 4.512 . 0 0 "[ . 1]" 1 1406 1 89 LEU H 1 121 VAL MG1 6.500 . 6.500 5.751 4.647 6.523 0.023 5 0 "[ . 1]" 1 1407 1 89 LEU H 1 121 VAL MG2 6.500 . 6.500 5.099 4.241 6.438 . 0 0 "[ . 1]" 1 1408 1 89 LEU HA 1 90 PHE H 5.500 . 5.500 2.130 2.100 2.173 . 0 0 "[ . 1]" 1 1409 1 89 LEU HB2 1 90 PHE H 6.500 . 6.500 4.118 3.936 4.287 . 0 0 "[ . 1]" 1 1410 1 89 LEU HB2 1 121 VAL HA 5.500 . 5.500 2.196 1.613 3.249 . 0 0 "[ . 1]" 1 1411 1 89 LEU HB2 1 121 VAL MG1 6.500 . 6.500 4.244 2.992 4.946 . 0 0 "[ . 1]" 1 1412 1 89 LEU HB2 1 121 VAL MG2 6.500 . 6.500 3.185 2.587 4.543 . 0 0 "[ . 1]" 1 1413 1 89 LEU HB2 1 123 LYS H 6.500 . 6.500 4.950 4.544 5.348 . 0 0 "[ . 1]" 1 1414 1 89 LEU HB3 1 90 PHE H 6.500 . 6.500 3.296 3.098 3.642 . 0 0 "[ . 1]" 1 1415 1 89 LEU HB3 1 121 VAL HA 5.500 . 5.500 3.066 2.501 3.528 . 0 0 "[ . 1]" 1 1416 1 89 LEU HB3 1 121 VAL MG1 6.500 . 6.500 4.427 3.064 5.353 . 0 0 "[ . 1]" 1 1417 1 89 LEU HB3 1 121 VAL MG2 6.500 . 6.500 2.834 2.055 3.977 . 0 0 "[ . 1]" 1 1418 1 89 LEU HB3 1 123 LYS H 6.500 . 6.500 5.735 5.181 6.073 . 0 0 "[ . 1]" 1 1419 1 89 LEU QD 1 122 GLN QB 6.500 . 6.500 4.404 3.939 4.727 . 0 0 "[ . 1]" 1 1420 1 89 LEU MD1 1 90 PHE H 6.500 . 6.500 4.909 4.814 4.965 . 0 0 "[ . 1]" 1 1421 1 89 LEU MD1 1 122 GLN HB2 6.500 . 6.500 4.755 4.190 5.192 . 0 0 "[ . 1]" 1 1422 1 89 LEU MD1 1 122 GLN HB3 6.500 . 6.500 5.776 5.336 6.084 . 0 0 "[ . 1]" 1 1423 1 89 LEU MD1 1 122 GLN HG2 6.500 . 6.500 4.311 3.534 4.990 . 0 0 "[ . 1]" 1 1424 1 89 LEU MD1 1 122 GLN HG3 6.500 . 6.500 3.736 2.853 4.607 . 0 0 "[ . 1]" 1 1425 1 89 LEU MD2 1 90 PHE H 6.500 . 6.500 4.853 4.710 5.145 . 0 0 "[ . 1]" 1 1426 1 89 LEU MD2 1 122 GLN HB2 6.500 . 6.500 6.287 5.522 6.525 0.025 3 0 "[ . 1]" 1 1427 1 89 LEU MD2 1 122 GLN HG2 6.500 . 6.500 5.943 5.280 6.551 0.051 6 0 "[ . 1]" 1 1428 1 89 LEU MD2 1 122 GLN HG3 6.500 . 6.500 5.467 4.653 6.566 0.066 5 0 "[ . 1]" 1 1429 1 89 LEU HG 1 90 PHE H 6.500 . 6.500 4.567 4.353 4.729 . 0 0 "[ . 1]" 1 1430 1 89 LEU O 1 123 LYS H 4.500 . 4.500 2.856 2.215 3.226 . 0 0 "[ . 1]" 1 1431 1 89 LEU O 1 123 LYS N 4.500 . 4.500 3.681 3.172 3.898 . 0 0 "[ . 1]" 1 1432 1 90 PHE H 1 90 PHE HE1 6.500 . 6.500 5.866 4.369 6.553 0.053 2 0 "[ . 1]" 1 1433 1 90 PHE H 1 91 LEU H 6.500 . 6.500 4.386 4.299 4.498 . 0 0 "[ . 1]" 1 1434 1 90 PHE HA 1 91 LEU H 5.500 . 5.500 2.186 2.128 2.295 . 0 0 "[ . 1]" 1 1435 1 90 PHE HA 1 121 VAL MG1 6.500 . 6.500 3.384 2.087 4.660 . 0 0 "[ . 1]" 1 1436 1 90 PHE HA 1 121 VAL MG2 6.500 . 6.500 3.470 2.207 4.677 . 0 0 "[ . 1]" 1 1437 1 90 PHE HA 1 123 LYS H 6.500 . 6.500 2.833 2.547 3.044 . 0 0 "[ . 1]" 1 1438 1 90 PHE HA 1 123 LYS HA 6.500 . 6.500 4.930 4.677 5.161 . 0 0 "[ . 1]" 1 1439 1 90 PHE HA 1 123 LYS HB2 6.500 . 6.500 4.839 4.219 5.498 . 0 0 "[ . 1]" 1 1440 1 90 PHE HA 1 123 LYS HB3 6.500 . 6.500 3.246 2.483 3.994 . 0 0 "[ . 1]" 1 1441 1 90 PHE HA 1 123 LYS HD2 6.500 . 6.500 5.755 5.316 6.375 . 0 0 "[ . 1]" 1 1442 1 90 PHE HA 1 123 LYS HD3 6.500 . 6.500 6.404 5.539 6.600 0.100 4 0 "[ . 1]" 1 1443 1 90 PHE HA 1 123 LYS HG2 6.500 . 6.500 4.510 3.716 4.825 . 0 0 "[ . 1]" 1 1444 1 90 PHE HA 1 123 LYS HG3 6.500 . 6.500 5.163 3.777 6.136 . 0 0 "[ . 1]" 1 1445 1 90 PHE HA 1 142 LEU HA 6.500 . 6.500 6.460 6.059 6.648 0.148 9 0 "[ . 1]" 1 1446 1 90 PHE QB 1 91 LEU H 6.500 . 6.500 2.930 2.717 3.090 . 0 0 "[ . 1]" 1 1447 1 90 PHE QB 1 121 VAL QG 6.500 . 6.500 3.941 3.702 4.499 . 0 0 "[ . 1]" 1 1448 1 90 PHE QB 1 123 LYS H 6.500 . 6.500 4.381 3.359 4.789 . 0 0 "[ . 1]" 1 1449 1 90 PHE QB 1 123 LYS QD 5.500 . 5.500 4.319 3.323 5.210 . 0 0 "[ . 1]" 1 1450 1 90 PHE QB 1 123 LYS QG 5.500 . 5.500 3.483 2.840 4.144 . 0 0 "[ . 1]" 1 1451 1 90 PHE QB 1 142 LEU QD 6.500 . 6.500 4.598 2.998 5.515 . 0 0 "[ . 1]" 1 1452 1 90 PHE HB2 1 91 LEU H 6.500 . 6.500 3.791 2.887 4.175 . 0 0 "[ . 1]" 1 1453 1 90 PHE HB2 1 121 VAL MG1 6.500 . 6.500 5.640 4.447 6.661 0.161 10 0 "[ . 1]" 1 1454 1 90 PHE HB2 1 121 VAL MG2 6.500 . 6.500 5.364 4.226 6.308 . 0 0 "[ . 1]" 1 1455 1 90 PHE HB2 1 123 LYS H 6.500 . 6.500 5.490 4.492 5.942 . 0 0 "[ . 1]" 1 1456 1 90 PHE HB3 1 91 LEU H 6.500 . 6.500 3.187 2.793 3.859 . 0 0 "[ . 1]" 1 1457 1 90 PHE HB3 1 121 VAL MG1 6.500 . 6.500 5.219 4.125 6.548 0.048 5 0 "[ . 1]" 1 1458 1 90 PHE HB3 1 121 VAL MG2 6.500 . 6.500 5.292 4.118 6.390 . 0 0 "[ . 1]" 1 1459 1 90 PHE HB3 1 123 LYS H 6.500 . 6.500 4.610 3.469 5.052 . 0 0 "[ . 1]" 1 1460 1 91 LEU H 1 92 MET H 6.500 . 6.500 4.356 4.166 4.514 . 0 0 "[ . 1]" 1 1461 1 91 LEU H 1 123 LYS H 6.500 . 6.500 3.718 3.585 3.875 . 0 0 "[ . 1]" 1 1462 1 91 LEU H 1 123 LYS HB2 6.500 . 6.500 5.557 4.945 5.885 . 0 0 "[ . 1]" 1 1463 1 91 LEU H 1 123 LYS HB3 5.500 . 5.500 4.159 3.444 4.659 . 0 0 "[ . 1]" 1 1464 1 91 LEU H 1 123 LYS HG2 5.500 . 5.500 4.456 3.840 5.339 . 0 0 "[ . 1]" 1 1465 1 91 LEU H 1 123 LYS HG3 6.500 . 6.500 4.883 3.618 5.700 . 0 0 "[ . 1]" 1 1466 1 91 LEU H 1 123 LYS O 4.000 . 4.000 1.740 1.663 1.843 . 0 0 "[ . 1]" 1 1467 1 91 LEU H 1 124 TYR HA 6.500 . 6.500 2.681 2.489 3.088 . 0 0 "[ . 1]" 1 1468 1 91 LEU H 1 124 TYR HB2 6.500 . 6.500 4.961 4.532 5.410 . 0 0 "[ . 1]" 1 1469 1 91 LEU H 1 124 TYR HB3 6.500 . 6.500 4.027 3.675 4.469 . 0 0 "[ . 1]" 1 1470 1 91 LEU H 1 125 ILE H 6.500 . 6.500 3.998 3.885 4.186 . 0 0 "[ . 1]" 1 1471 1 91 LEU HA 1 92 MET H 5.500 . 5.500 2.165 2.135 2.216 . 0 0 "[ . 1]" 1 1472 1 91 LEU QB 1 124 TYR QB 6.500 . 6.500 2.264 1.994 2.598 . 0 0 "[ . 1]" 1 1473 1 91 LEU HB2 1 92 MET H 6.500 . 6.500 4.241 4.070 4.342 . 0 0 "[ . 1]" 1 1474 1 91 LEU HB2 1 124 TYR HA 6.500 . 6.500 3.910 3.735 4.081 . 0 0 "[ . 1]" 1 1475 1 91 LEU HB2 1 125 ILE H 6.500 . 6.500 5.281 5.076 5.499 . 0 0 "[ . 1]" 1 1476 1 91 LEU HB3 1 92 MET H 6.500 . 6.500 4.249 4.014 4.390 . 0 0 "[ . 1]" 1 1477 1 91 LEU HB3 1 124 TYR HA 6.500 . 6.500 2.262 2.015 2.465 . 0 0 "[ . 1]" 1 1478 1 91 LEU HB3 1 125 ILE H 6.500 . 6.500 3.713 3.460 3.951 . 0 0 "[ . 1]" 1 1479 1 91 LEU QD 1 92 MET H 6.500 . 6.500 2.471 2.218 2.742 . 0 0 "[ . 1]" 1 1480 1 91 LEU QD 1 114 LEU H 6.500 . 6.500 5.011 4.570 5.358 . 0 0 "[ . 1]" 1 1481 1 91 LEU QD 1 115 LYS H 6.500 . 6.500 4.169 3.821 4.619 . 0 0 "[ . 1]" 1 1482 1 91 LEU MD1 1 92 MET H 6.500 . 6.500 2.482 2.225 2.760 . 0 0 "[ . 1]" 1 1483 1 91 LEU MD1 1 114 LEU H 6.500 . 6.500 6.245 5.929 6.541 0.041 7 0 "[ . 1]" 1 1484 1 91 LEU MD1 1 115 LYS H 6.500 . 6.500 5.731 5.415 6.190 . 0 0 "[ . 1]" 1 1485 1 91 LEU MD2 1 92 MET H 6.500 . 6.500 4.583 4.188 4.782 . 0 0 "[ . 1]" 1 1486 1 91 LEU MD2 1 114 LEU H 6.500 . 6.500 5.281 4.752 5.689 . 0 0 "[ . 1]" 1 1487 1 91 LEU MD2 1 115 LYS H 6.500 . 6.500 4.285 3.892 4.767 . 0 0 "[ . 1]" 1 1488 1 91 LEU HG 1 92 MET H 6.500 . 6.500 3.189 2.609 3.451 . 0 0 "[ . 1]" 1 1489 1 91 LEU N 1 123 LYS O 4.500 . 4.500 2.709 2.618 2.804 . 0 0 "[ . 1]" 1 1490 1 91 LEU O 1 125 ILE H 4.000 . 4.000 1.816 1.711 1.999 . 0 0 "[ . 1]" 1 1491 1 91 LEU O 1 125 ILE N 4.500 . 4.500 2.769 2.685 2.906 . 0 0 "[ . 1]" 1 1492 1 92 MET H 1 93 SER H 6.500 . 6.500 4.228 4.056 4.433 . 0 0 "[ . 1]" 1 1493 1 92 MET HA 1 93 SER H 6.500 . 6.500 2.102 2.058 2.159 . 0 0 "[ . 1]" 1 1494 1 92 MET HA 1 125 ILE H 6.500 . 6.500 2.758 2.602 2.918 . 0 0 "[ . 1]" 1 1495 1 92 MET HA 1 125 ILE HB 6.500 . 6.500 5.145 4.873 5.407 . 0 0 "[ . 1]" 1 1496 1 92 MET HA 1 125 ILE MD 6.500 . 6.500 5.431 5.109 5.992 . 0 0 "[ . 1]" 1 1497 1 92 MET HA 1 125 ILE QG 6.500 . 6.500 4.626 4.357 5.006 . 0 0 "[ . 1]" 1 1498 1 92 MET HA 1 125 ILE MG 6.500 . 6.500 2.771 2.485 3.253 . 0 0 "[ . 1]" 1 1499 1 92 MET QB 1 125 ILE QG 6.500 . 6.500 4.560 4.255 5.004 . 0 0 "[ . 1]" 1 1500 1 92 MET HB2 1 93 SER H 6.500 . 6.500 3.346 3.118 3.636 . 0 0 "[ . 1]" 1 1501 1 92 MET HB2 1 125 ILE H 6.500 . 6.500 4.965 4.639 5.259 . 0 0 "[ . 1]" 1 1502 1 92 MET HB2 1 125 ILE HB 6.500 . 6.500 6.385 5.651 6.523 0.023 6 0 "[ . 1]" 1 1503 1 92 MET HB2 1 125 ILE MD 6.500 . 6.500 5.613 5.287 6.246 . 0 0 "[ . 1]" 1 1504 1 92 MET HB2 1 125 ILE MG 6.500 . 6.500 3.310 2.720 3.542 . 0 0 "[ . 1]" 1 1505 1 92 MET HB3 1 93 SER H 6.500 . 6.500 4.144 4.046 4.225 . 0 0 "[ . 1]" 1 1506 1 92 MET HB3 1 125 ILE H 6.500 . 6.500 4.250 3.858 4.657 . 0 0 "[ . 1]" 1 1507 1 92 MET HB3 1 125 ILE HB 6.500 . 6.500 5.684 4.859 6.223 . 0 0 "[ . 1]" 1 1508 1 92 MET HB3 1 125 ILE MD 6.500 . 6.500 5.344 4.700 6.210 . 0 0 "[ . 1]" 1 1509 1 92 MET HB3 1 125 ILE MG 6.500 . 6.500 2.789 2.277 3.313 . 0 0 "[ . 1]" 1 1510 1 92 MET HG2 1 93 SER H 6.500 . 6.500 5.073 4.696 5.180 . 0 0 "[ . 1]" 1 1511 1 92 MET HG2 1 125 ILE H 6.500 . 6.500 5.894 5.630 6.266 . 0 0 "[ . 1]" 1 1512 1 92 MET HG2 1 125 ILE MG 6.500 . 6.500 4.818 4.358 5.339 . 0 0 "[ . 1]" 1 1513 1 92 MET HG2 1 127 ALA MB 6.500 . 6.500 5.483 4.644 6.516 0.016 2 0 "[ . 1]" 1 1514 1 92 MET HG3 1 93 SER H 6.500 . 6.500 4.623 4.212 5.386 . 0 0 "[ . 1]" 1 1515 1 92 MET HG3 1 125 ILE H 6.500 . 6.500 6.438 6.262 6.542 0.042 4 0 "[ . 1]" 1 1516 1 92 MET HG3 1 125 ILE MG 6.500 . 6.500 5.083 4.539 5.518 . 0 0 "[ . 1]" 1 1517 1 92 MET HG3 1 127 ALA MB 6.500 . 6.500 4.522 3.635 5.596 . 0 0 "[ . 1]" 1 1518 1 93 SER H 1 94 TRP H 6.500 . 6.500 4.210 4.020 4.520 . 0 0 "[ . 1]" 1 1519 1 93 SER H 1 125 ILE H 6.500 . 6.500 3.889 3.680 4.124 . 0 0 "[ . 1]" 1 1520 1 93 SER H 1 125 ILE HA 6.500 . 6.500 4.930 4.780 5.111 . 0 0 "[ . 1]" 1 1521 1 93 SER H 1 125 ILE HB 6.500 . 6.500 6.086 5.904 6.507 0.007 3 0 "[ . 1]" 1 1522 1 93 SER H 1 125 ILE QG 6.500 . 6.500 4.787 4.530 5.098 . 0 0 "[ . 1]" 1 1523 1 93 SER H 1 125 ILE MG 6.500 . 6.500 3.875 3.592 4.466 . 0 0 "[ . 1]" 1 1524 1 93 SER H 1 125 ILE O 4.000 . 4.000 2.023 1.811 2.662 . 0 0 "[ . 1]" 1 1525 1 93 SER H 1 126 GLN HA 6.500 . 6.500 2.046 1.859 2.360 . 0 0 "[ . 1]" 1 1526 1 93 SER H 1 126 GLN HB2 6.500 . 6.500 3.904 3.510 4.249 . 0 0 "[ . 1]" 1 1527 1 93 SER H 1 126 GLN HB3 6.500 . 6.500 4.901 4.661 5.030 . 0 0 "[ . 1]" 1 1528 1 93 SER H 1 126 GLN HG2 6.500 . 6.500 5.041 4.754 5.277 . 0 0 "[ . 1]" 1 1529 1 93 SER H 1 126 GLN HG3 6.500 . 6.500 4.396 3.686 5.376 . 0 0 "[ . 1]" 1 1530 1 93 SER H 1 127 ALA H 6.500 . 6.500 3.163 2.891 3.627 . 0 0 "[ . 1]" 1 1531 1 93 SER HA 1 94 TRP H 5.500 . 5.500 2.197 2.153 2.232 . 0 0 "[ . 1]" 1 1532 1 93 SER HA 1 126 GLN HB2 6.500 . 6.500 5.266 4.993 5.397 . 0 0 "[ . 1]" 1 1533 1 93 SER HA 1 126 GLN HB3 6.500 . 6.500 6.675 6.580 6.770 0.270 4 0 "[ . 1]" 1 1534 1 93 SER HA 1 127 ALA H 6.500 . 6.500 4.402 4.210 4.764 . 0 0 "[ . 1]" 1 1535 1 93 SER QB 1 94 TRP H 6.500 . 6.500 3.881 3.585 4.009 . 0 0 "[ . 1]" 1 1536 1 93 SER QB 1 111 PHE HA 6.500 . 6.500 4.702 4.417 4.991 . 0 0 "[ . 1]" 1 1537 1 93 SER QB 1 111 PHE QB 6.500 . 6.500 4.209 3.262 4.785 . 0 0 "[ . 1]" 1 1538 1 93 SER QB 1 125 ILE QG 6.500 . 6.500 5.456 5.115 5.817 . 0 0 "[ . 1]" 1 1539 1 93 SER QB 1 126 GLN QB 5.500 . 5.500 2.247 1.951 2.378 . 0 0 "[ . 1]" 1 1540 1 93 SER HB2 1 94 TRP H 6.500 . 6.500 4.469 4.197 4.563 . 0 0 "[ . 1]" 1 1541 1 93 SER HB2 1 111 PHE HA 6.500 . 6.500 5.077 4.550 6.113 . 0 0 "[ . 1]" 1 1542 1 93 SER HB2 1 126 GLN HB2 6.500 . 6.500 3.345 2.383 3.795 . 0 0 "[ . 1]" 1 1543 1 93 SER HB2 1 126 GLN HB3 6.500 . 6.500 4.963 3.887 5.369 . 0 0 "[ . 1]" 1 1544 1 93 SER HB2 1 126 GLN HG2 6.500 . 6.500 5.209 3.850 5.936 . 0 0 "[ . 1]" 1 1545 1 93 SER HB2 1 126 GLN HG3 6.500 . 6.500 3.900 2.547 4.678 . 0 0 "[ . 1]" 1 1546 1 93 SER HB2 1 127 ALA H 6.500 . 6.500 4.489 3.177 5.124 . 0 0 "[ . 1]" 1 1547 1 93 SER HB3 1 94 TRP H 6.500 . 6.500 4.276 3.794 4.486 . 0 0 "[ . 1]" 1 1548 1 93 SER HB3 1 111 PHE HA 6.500 . 6.500 5.944 5.131 6.492 . 0 0 "[ . 1]" 1 1549 1 93 SER HB3 1 126 GLN HB2 6.500 . 6.500 2.585 1.973 3.930 . 0 0 "[ . 1]" 1 1550 1 93 SER HB3 1 126 GLN HB3 6.500 . 6.500 4.117 3.619 5.513 . 0 0 "[ . 1]" 1 1551 1 93 SER HB3 1 126 GLN HG2 6.500 . 6.500 4.055 3.238 5.183 . 0 0 "[ . 1]" 1 1552 1 93 SER HB3 1 126 GLN HG3 6.500 . 6.500 2.741 1.783 3.522 . 0 0 "[ . 1]" 1 1553 1 93 SER HB3 1 127 ALA H 6.500 . 6.500 3.580 3.052 4.473 . 0 0 "[ . 1]" 1 1554 1 93 SER N 1 125 ILE O 4.500 . 4.500 2.917 2.744 3.423 . 0 0 "[ . 1]" 1 1555 1 93 SER O 1 127 ALA H 4.000 . 4.000 1.717 1.646 1.941 . 0 0 "[ . 1]" 1 1556 1 93 SER O 1 127 ALA N 4.500 . 4.500 2.637 2.597 2.763 . 0 0 "[ . 1]" 1 1557 1 94 TRP H 1 95 CYS H 6.500 . 6.500 4.249 4.108 4.354 . 0 0 "[ . 1]" 1 1558 1 94 TRP H 1 95 CYS QB 6.500 . 6.500 4.630 4.072 5.367 . 0 0 "[ . 1]" 1 1559 1 94 TRP H 1 126 GLN HG2 6.500 . 6.500 6.310 5.231 6.539 0.039 7 0 "[ . 1]" 1 1560 1 94 TRP H 1 126 GLN HG3 6.500 . 6.500 5.323 5.041 5.779 . 0 0 "[ . 1]" 1 1561 1 94 TRP HA 1 95 CYS H 5.500 . 5.500 2.148 2.119 2.199 . 0 0 "[ . 1]" 1 1562 1 94 TRP HA 1 126 GLN HA 6.500 . 6.500 4.807 4.575 5.094 . 0 0 "[ . 1]" 1 1563 1 94 TRP HA 1 127 ALA H 6.500 . 6.500 3.007 2.799 3.294 . 0 0 "[ . 1]" 1 1564 1 94 TRP HA 1 127 ALA MB 6.500 . 6.500 2.434 2.019 2.918 . 0 0 "[ . 1]" 1 1565 1 94 TRP HB2 1 95 CYS H 6.500 . 6.500 4.482 4.362 4.562 . 0 0 "[ . 1]" 1 1566 1 94 TRP HB2 1 127 ALA H 6.500 . 6.500 4.867 4.592 5.346 . 0 0 "[ . 1]" 1 1567 1 94 TRP HB3 1 95 CYS H 6.500 . 6.500 4.296 3.768 4.473 . 0 0 "[ . 1]" 1 1568 1 94 TRP HB3 1 127 ALA H 6.500 . 6.500 5.713 5.539 5.955 . 0 0 "[ . 1]" 1 1569 1 95 CYS H 1 127 ALA H 6.500 . 6.500 3.667 3.470 3.906 . 0 0 "[ . 1]" 1 1570 1 95 CYS H 1 127 ALA MB 6.500 . 6.500 3.770 3.447 4.095 . 0 0 "[ . 1]" 1 1571 1 95 CYS H 1 128 THR HA 6.500 . 6.500 3.115 2.809 3.320 . 0 0 "[ . 1]" 1 1572 1 95 CYS H 1 128 THR HB 6.500 . 6.500 5.589 5.213 5.738 . 0 0 "[ . 1]" 1 1573 1 95 CYS H 1 128 THR MG 6.500 . 6.500 4.581 4.281 4.953 . 0 0 "[ . 1]" 1 1574 1 95 CYS QB 1 127 ALA H 6.500 . 6.500 5.505 5.111 5.885 . 0 0 "[ . 1]" 1 1575 1 96 PRO HA 1 97 ASP H 5.500 . 5.500 2.165 2.111 2.236 . 0 0 "[ . 1]" 1 1576 1 96 PRO HA 1 98 THR H 6.500 . 6.500 3.517 3.243 3.748 . 0 0 "[ . 1]" 1 1577 1 96 PRO HA 1 99 ALA H 6.500 . 6.500 4.597 4.190 5.102 . 0 0 "[ . 1]" 1 1578 1 96 PRO HA 1 128 THR HA 5.500 . 5.500 2.724 2.558 2.890 . 0 0 "[ . 1]" 1 1579 1 96 PRO HA 1 128 THR HB 5.500 . 5.500 2.854 2.037 3.863 . 0 0 "[ . 1]" 1 1580 1 96 PRO QB 1 129 ASP QB 5.500 . 5.500 4.021 3.354 4.660 . 0 0 "[ . 1]" 1 1581 1 96 PRO HB2 1 98 THR H 6.500 . 6.500 3.676 3.326 4.002 . 0 0 "[ . 1]" 1 1582 1 96 PRO HB2 1 99 ALA H 6.500 . 6.500 3.042 2.651 3.686 . 0 0 "[ . 1]" 1 1583 1 96 PRO HB2 1 99 ALA MB 6.500 . 6.500 1.916 1.501 2.508 . 0 0 "[ . 1]" 1 1584 1 96 PRO HB2 1 128 THR HA 6.500 . 6.500 5.543 5.347 5.703 . 0 0 "[ . 1]" 1 1585 1 96 PRO HB2 1 128 THR HB 6.500 . 6.500 5.503 4.749 6.493 . 0 0 "[ . 1]" 1 1586 1 96 PRO HB2 1 129 ASP HA 6.500 . 6.500 5.853 5.073 6.587 0.087 6 0 "[ . 1]" 1 1587 1 96 PRO HB3 1 98 THR H 6.500 . 6.500 3.746 3.346 4.606 . 0 0 "[ . 1]" 1 1588 1 96 PRO HB3 1 99 ALA H 6.500 . 6.500 4.187 3.494 4.730 . 0 0 "[ . 1]" 1 1589 1 96 PRO HB3 1 99 ALA MB 6.500 . 6.500 3.234 2.573 4.066 . 0 0 "[ . 1]" 1 1590 1 96 PRO HB3 1 128 THR HA 6.500 . 6.500 4.809 4.578 5.043 . 0 0 "[ . 1]" 1 1591 1 96 PRO HB3 1 128 THR HB 6.500 . 6.500 4.413 3.728 5.031 . 0 0 "[ . 1]" 1 1592 1 96 PRO HB3 1 129 ASP HA 6.500 . 6.500 4.388 3.359 5.359 . 0 0 "[ . 1]" 1 1593 1 96 PRO QG 1 129 ASP QB 6.500 . 6.500 4.223 3.655 5.037 . 0 0 "[ . 1]" 1 1594 1 96 PRO HG2 1 97 ASP H 6.500 . 6.500 5.652 5.087 5.816 . 0 0 "[ . 1]" 1 1595 1 96 PRO HG2 1 98 THR H 6.500 . 6.500 5.798 5.384 6.127 . 0 0 "[ . 1]" 1 1596 1 96 PRO HG2 1 128 THR HB 6.500 . 6.500 6.509 5.905 6.648 0.148 7 0 "[ . 1]" 1 1597 1 96 PRO HG3 1 97 ASP H 6.500 . 6.500 5.183 4.894 5.807 . 0 0 "[ . 1]" 1 1598 1 96 PRO HG3 1 98 THR H 6.500 . 6.500 5.787 5.533 6.194 . 0 0 "[ . 1]" 1 1599 1 96 PRO HG3 1 128 THR HB 6.500 . 6.500 5.349 4.790 6.515 0.015 2 0 "[ . 1]" 1 1600 1 97 ASP H 1 98 THR H 6.500 . 6.500 2.509 2.309 2.667 . 0 0 "[ . 1]" 1 1601 1 97 ASP H 1 128 THR HA 6.500 . 6.500 3.319 2.948 4.087 . 0 0 "[ . 1]" 1 1602 1 97 ASP H 1 128 THR HB 6.500 . 6.500 2.909 2.049 4.581 . 0 0 "[ . 1]" 1 1603 1 97 ASP H 1 128 THR MG 6.500 . 6.500 2.582 1.611 3.330 . 0 0 "[ . 1]" 1 1604 1 97 ASP H 1 129 ASP QB 6.500 . 6.500 5.593 4.641 6.366 . 0 0 "[ . 1]" 1 1605 1 97 ASP HA 1 98 THR H 6.500 . 6.500 3.441 3.391 3.478 . 0 0 "[ . 1]" 1 1606 1 97 ASP HA 1 99 ALA H 6.500 . 6.500 3.618 3.363 4.034 . 0 0 "[ . 1]" 1 1607 1 97 ASP QB 1 98 THR HA 6.500 . 6.500 4.236 4.163 4.304 . 0 0 "[ . 1]" 1 1608 1 97 ASP QB 1 128 THR HA 6.500 . 6.500 4.315 3.680 5.075 . 0 0 "[ . 1]" 1 1609 1 97 ASP QB 1 128 THR HB 6.500 . 6.500 3.829 2.684 5.325 . 0 0 "[ . 1]" 1 1610 1 97 ASP QB 1 128 THR MG 6.500 . 6.500 2.490 1.731 3.346 . 0 0 "[ . 1]" 1 1611 1 97 ASP HB2 1 98 THR H 6.500 . 6.500 4.037 3.943 4.125 . 0 0 "[ . 1]" 1 1612 1 97 ASP HB2 1 99 ALA H 6.500 . 6.500 5.487 5.388 5.640 . 0 0 "[ . 1]" 1 1613 1 97 ASP HB2 1 99 ALA MB 6.500 . 6.500 6.263 5.891 6.509 0.009 2 0 "[ . 1]" 1 1614 1 97 ASP HB3 1 98 THR H 6.500 . 6.500 2.966 2.779 3.122 . 0 0 "[ . 1]" 1 1615 1 97 ASP HB3 1 99 ALA H 6.500 . 6.500 4.939 4.860 5.079 . 0 0 "[ . 1]" 1 1616 1 97 ASP HB3 1 99 ALA MB 6.500 . 6.500 6.088 5.882 6.190 . 0 0 "[ . 1]" 1 1617 1 98 THR H 1 99 ALA H 5.500 . 5.500 2.622 2.449 2.978 . 0 0 "[ . 1]" 1 1618 1 98 THR H 1 99 ALA MB 6.500 . 6.500 4.030 3.850 4.259 . 0 0 "[ . 1]" 1 1619 1 98 THR HA 1 99 ALA H 5.500 . 5.500 3.201 3.063 3.372 . 0 0 "[ . 1]" 1 1620 1 98 THR HB 1 99 ALA H 6.500 . 6.500 4.003 3.386 4.447 . 0 0 "[ . 1]" 1 1621 1 98 THR MG 1 99 ALA H 6.500 . 6.500 4.209 3.192 4.423 . 0 0 "[ . 1]" 1 1622 1 99 ALA H 1 100 LYS H 6.500 . 6.500 3.960 2.732 4.473 . 0 0 "[ . 1]" 1 1623 1 99 ALA H 1 104 LYS HG2 6.500 . 6.500 4.490 3.700 5.198 . 0 0 "[ . 1]" 1 1624 1 99 ALA H 1 104 LYS HG3 6.500 . 6.500 5.865 5.227 6.691 0.191 7 0 "[ . 1]" 1 1625 1 99 ALA MB 1 100 LYS H 6.500 . 6.500 2.018 1.734 3.507 . 0 0 "[ . 1]" 1 1626 1 100 LYS H 1 100 LYS HD2 6.500 . 6.500 5.732 4.851 6.314 . 0 0 "[ . 1]" 1 1627 1 100 LYS H 1 100 LYS HD3 6.500 . 6.500 5.005 4.110 6.494 . 0 0 "[ . 1]" 1 1628 1 100 LYS H 1 100 LYS HE2 6.500 . 6.500 4.503 3.340 6.072 . 0 0 "[ . 1]" 1 1629 1 100 LYS H 1 100 LYS HE3 6.500 . 6.500 5.366 4.162 6.479 . 0 0 "[ . 1]" 1 1630 1 100 LYS H 1 101 VAL H 6.500 . 6.500 4.348 3.594 4.585 . 0 0 "[ . 1]" 1 1631 1 100 LYS HA 1 101 VAL H 5.500 . 5.500 2.152 2.098 2.260 . 0 0 "[ . 1]" 1 1632 1 100 LYS HA 1 103 LYS HB2 6.500 . 6.500 5.558 5.049 6.250 . 0 0 "[ . 1]" 1 1633 1 100 LYS HA 1 103 LYS HB3 6.500 . 6.500 5.018 4.233 6.324 . 0 0 "[ . 1]" 1 1634 1 100 LYS HB2 1 101 VAL H 6.500 . 6.500 4.301 3.936 4.606 . 0 0 "[ . 1]" 1 1635 1 100 LYS HB3 1 101 VAL H 6.500 . 6.500 4.214 3.986 4.391 . 0 0 "[ . 1]" 1 1636 1 100 LYS HD2 1 101 VAL H 6.500 . 6.500 5.159 4.089 5.839 . 0 0 "[ . 1]" 1 1637 1 100 LYS HD3 1 101 VAL H 6.500 . 6.500 4.654 2.572 5.522 . 0 0 "[ . 1]" 1 1638 1 100 LYS QG 1 101 VAL H 6.500 . 6.500 2.961 2.131 3.428 . 0 0 "[ . 1]" 1 1639 1 100 LYS QG 1 102 LYS H 5.500 . 5.500 2.452 1.868 3.378 . 0 0 "[ . 1]" 1 1640 1 100 LYS QG 1 103 LYS H 6.500 . 6.500 2.511 1.539 3.619 . 0 0 "[ . 1]" 1 1641 1 100 LYS QG 1 104 LYS H 6.500 . 6.500 4.388 3.481 5.173 . 0 0 "[ . 1]" 1 1642 1 100 LYS QG 1 105 MET H 6.500 . 6.500 5.771 4.966 6.313 . 0 0 "[ . 1]" 1 1643 1 100 LYS HG2 1 101 VAL H 6.500 . 6.500 3.941 3.055 5.018 . 0 0 "[ . 1]" 1 1644 1 100 LYS HG2 1 104 LYS H 6.500 . 6.500 4.814 4.249 5.546 . 0 0 "[ . 1]" 1 1645 1 100 LYS HG3 1 101 VAL H 6.500 . 6.500 3.084 2.175 3.507 . 0 0 "[ . 1]" 1 1646 1 100 LYS HG3 1 104 LYS H 6.500 . 6.500 5.428 3.563 6.407 . 0 0 "[ . 1]" 1 1647 1 101 VAL H 1 102 LYS H 6.500 . 6.500 2.777 2.597 2.899 . 0 0 "[ . 1]" 1 1648 1 101 VAL H 1 103 LYS H 6.500 . 6.500 4.249 4.030 4.650 . 0 0 "[ . 1]" 1 1649 1 101 VAL HA 1 102 LYS H 6.500 . 6.500 3.523 3.489 3.560 . 0 0 "[ . 1]" 1 1650 1 101 VAL HA 1 103 LYS H 6.500 . 6.500 4.219 3.673 4.695 . 0 0 "[ . 1]" 1 1651 1 101 VAL HA 1 104 LYS H 6.500 . 6.500 3.545 3.145 4.035 . 0 0 "[ . 1]" 1 1652 1 101 VAL HA 1 105 MET H 6.500 . 6.500 4.309 3.890 5.174 . 0 0 "[ . 1]" 1 1653 1 101 VAL HB 1 102 LYS H 6.500 . 6.500 3.847 3.703 4.030 . 0 0 "[ . 1]" 1 1654 1 101 VAL HB 1 104 LYS HG2 6.500 . 6.500 4.752 4.231 5.083 . 0 0 "[ . 1]" 1 1655 1 101 VAL HB 1 104 LYS HG3 6.500 . 6.500 4.399 4.079 5.096 . 0 0 "[ . 1]" 1 1656 1 101 VAL QG 1 104 LYS QG 6.500 . 6.500 3.402 2.775 3.918 . 0 0 "[ . 1]" 1 1657 1 101 VAL QG 1 105 MET H 6.500 . 6.500 4.752 3.710 5.575 . 0 0 "[ . 1]" 1 1658 1 102 LYS H 1 102 LYS HD2 5.500 . 5.500 3.985 2.417 5.687 0.187 3 0 "[ . 1]" 1 1659 1 102 LYS H 1 102 LYS HD3 5.500 . 5.500 4.307 2.616 4.996 . 0 0 "[ . 1]" 1 1660 1 102 LYS H 1 102 LYS HE2 6.500 . 6.500 5.271 4.514 6.069 . 0 0 "[ . 1]" 1 1661 1 102 LYS H 1 102 LYS HE3 6.500 . 6.500 5.371 4.836 6.244 . 0 0 "[ . 1]" 1 1662 1 102 LYS H 1 103 LYS H 5.500 . 5.500 2.559 2.374 2.885 . 0 0 "[ . 1]" 1 1663 1 102 LYS H 1 104 LYS H 6.500 . 6.500 4.174 3.820 4.391 . 0 0 "[ . 1]" 1 1664 1 102 LYS HA 1 104 LYS H 6.500 . 6.500 4.545 4.295 4.815 . 0 0 "[ . 1]" 1 1665 1 102 LYS HA 1 105 MET H 6.500 . 6.500 3.613 3.041 4.052 . 0 0 "[ . 1]" 1 1666 1 102 LYS HA 1 105 MET HA 6.500 . 6.500 5.472 4.705 6.033 . 0 0 "[ . 1]" 1 1667 1 102 LYS HA 1 105 MET HB2 5.500 . 5.500 3.140 2.071 3.855 . 0 0 "[ . 1]" 1 1668 1 102 LYS HA 1 105 MET HB3 6.500 . 6.500 3.213 2.473 3.782 . 0 0 "[ . 1]" 1 1669 1 102 LYS HA 1 105 MET HG2 6.500 . 6.500 5.405 4.223 6.119 . 0 0 "[ . 1]" 1 1670 1 102 LYS HA 1 105 MET HG3 6.500 . 6.500 4.379 3.379 5.071 . 0 0 "[ . 1]" 1 1671 1 102 LYS HA 1 106 LEU H 6.500 . 6.500 4.626 3.984 5.288 . 0 0 "[ . 1]" 1 1672 1 102 LYS HB2 1 103 LYS H 6.500 . 6.500 3.045 2.592 3.880 . 0 0 "[ . 1]" 1 1673 1 102 LYS HB2 1 105 MET HB2 6.500 . 6.500 5.913 5.020 6.517 0.017 4 0 "[ . 1]" 1 1674 1 102 LYS HB2 1 105 MET HB3 6.500 . 6.500 5.852 5.218 6.526 0.026 8 0 "[ . 1]" 1 1675 1 102 LYS HB3 1 103 LYS H 6.500 . 6.500 3.562 2.639 4.015 . 0 0 "[ . 1]" 1 1676 1 102 LYS HB3 1 105 MET HB2 6.500 . 6.500 5.527 4.367 6.399 . 0 0 "[ . 1]" 1 1677 1 102 LYS HB3 1 105 MET HB3 6.500 . 6.500 5.031 4.342 5.928 . 0 0 "[ . 1]" 1 1678 1 102 LYS HG2 1 103 LYS H 6.500 . 6.500 4.893 4.280 5.414 . 0 0 "[ . 1]" 1 1679 1 102 LYS HG3 1 103 LYS H 6.500 . 6.500 4.825 3.849 5.307 . 0 0 "[ . 1]" 1 1680 1 103 LYS H 1 103 LYS HD2 6.500 . 6.500 4.809 4.481 5.113 . 0 0 "[ . 1]" 1 1681 1 103 LYS H 1 103 LYS HD3 6.500 . 6.500 5.881 5.670 6.088 . 0 0 "[ . 1]" 1 1682 1 103 LYS H 1 103 LYS HE2 6.500 . 6.500 5.390 4.873 5.903 . 0 0 "[ . 1]" 1 1683 1 103 LYS H 1 103 LYS HE3 6.500 . 6.500 4.171 3.578 4.705 . 0 0 "[ . 1]" 1 1684 1 103 LYS H 1 104 LYS H 6.500 . 6.500 2.493 2.324 2.760 . 0 0 "[ . 1]" 1 1685 1 103 LYS H 1 105 MET H 6.500 . 6.500 3.771 3.429 4.130 . 0 0 "[ . 1]" 1 1686 1 103 LYS HA 1 105 MET H 6.500 . 6.500 3.985 3.738 4.263 . 0 0 "[ . 1]" 1 1687 1 103 LYS HA 1 106 LEU H 5.500 . 5.500 3.701 3.174 4.220 . 0 0 "[ . 1]" 1 1688 1 103 LYS HA 1 106 LEU HA 6.500 . 6.500 5.880 5.223 6.565 0.065 10 0 "[ . 1]" 1 1689 1 103 LYS HA 1 106 LEU HB2 6.500 . 6.500 4.594 3.267 5.656 . 0 0 "[ . 1]" 1 1690 1 103 LYS HA 1 106 LEU HB3 6.500 . 6.500 4.888 4.043 5.699 . 0 0 "[ . 1]" 1 1691 1 103 LYS HA 1 106 LEU MD1 6.500 . 6.500 2.647 2.060 3.108 . 0 0 "[ . 1]" 1 1692 1 103 LYS HA 1 106 LEU MD2 6.500 . 6.500 3.000 1.841 4.005 . 0 0 "[ . 1]" 1 1693 1 103 LYS HA 1 106 LEU HG 5.500 . 5.500 2.519 2.015 2.982 . 0 0 "[ . 1]" 1 1694 1 103 LYS HA 1 107 TYR H 6.500 . 6.500 4.792 3.862 5.777 . 0 0 "[ . 1]" 1 1695 1 103 LYS QB 1 106 LEU QD 6.500 . 6.500 3.575 2.802 4.167 . 0 0 "[ . 1]" 1 1696 1 103 LYS HB2 1 104 LYS H 6.500 . 6.500 3.865 3.685 4.171 . 0 0 "[ . 1]" 1 1697 1 103 LYS HB2 1 106 LEU MD1 6.500 . 6.500 4.281 3.064 4.963 . 0 0 "[ . 1]" 1 1698 1 103 LYS HB2 1 106 LEU MD2 6.500 . 6.500 4.802 2.979 5.924 . 0 0 "[ . 1]" 1 1699 1 103 LYS HB2 1 106 LEU HG 6.500 . 6.500 4.956 4.238 5.363 . 0 0 "[ . 1]" 1 1700 1 103 LYS HB3 1 104 LYS H 6.500 . 6.500 2.671 2.471 2.944 . 0 0 "[ . 1]" 1 1701 1 103 LYS HB3 1 106 LEU MD1 6.500 . 6.500 4.742 4.178 5.334 . 0 0 "[ . 1]" 1 1702 1 103 LYS HB3 1 106 LEU MD2 6.500 . 6.500 5.495 4.097 6.425 . 0 0 "[ . 1]" 1 1703 1 103 LYS HB3 1 106 LEU HG 6.500 . 6.500 5.175 4.624 5.467 . 0 0 "[ . 1]" 1 1704 1 103 LYS HE2 1 106 LEU HG 6.500 . 6.500 4.199 3.294 5.581 . 0 0 "[ . 1]" 1 1705 1 103 LYS HE3 1 106 LEU HG 6.500 . 6.500 4.360 3.531 5.615 . 0 0 "[ . 1]" 1 1706 1 103 LYS HG2 1 104 LYS H 6.500 . 6.500 4.290 3.652 5.035 . 0 0 "[ . 1]" 1 1707 1 103 LYS HG2 1 106 LEU HG 6.500 . 6.500 5.577 4.351 6.220 . 0 0 "[ . 1]" 1 1708 1 103 LYS HG3 1 104 LYS H 6.500 . 6.500 4.204 3.628 4.591 . 0 0 "[ . 1]" 1 1709 1 103 LYS HG3 1 106 LEU HG 5.500 . 5.500 4.115 2.895 4.665 . 0 0 "[ . 1]" 1 1710 1 104 LYS H 1 104 LYS HD2 6.500 . 6.500 4.412 3.668 4.780 . 0 0 "[ . 1]" 1 1711 1 104 LYS H 1 104 LYS HD3 6.500 . 6.500 4.257 3.552 5.104 . 0 0 "[ . 1]" 1 1712 1 104 LYS H 1 104 LYS HE2 6.500 . 6.500 5.144 4.436 6.582 0.082 9 0 "[ . 1]" 1 1713 1 104 LYS H 1 104 LYS HE3 6.500 . 6.500 5.345 4.351 6.371 . 0 0 "[ . 1]" 1 1714 1 104 LYS H 1 105 MET H 6.500 . 6.500 2.528 2.396 2.639 . 0 0 "[ . 1]" 1 1715 1 104 LYS H 1 106 LEU H 6.500 . 6.500 4.380 4.138 4.675 . 0 0 "[ . 1]" 1 1716 1 104 LYS HA 1 106 LEU H 6.500 . 6.500 4.315 3.702 4.912 . 0 0 "[ . 1]" 1 1717 1 104 LYS HA 1 107 TYR H 6.500 . 6.500 3.493 3.161 3.953 . 0 0 "[ . 1]" 1 1718 1 104 LYS HA 1 108 SER H 6.500 . 6.500 4.503 3.895 5.491 . 0 0 "[ . 1]" 1 1719 1 104 LYS QB 1 107 TYR QB 6.500 . 6.500 4.136 3.300 5.879 . 0 0 "[ . 1]" 1 1720 1 104 LYS QD 1 105 MET H 5.500 . 5.500 3.319 2.495 4.390 . 0 0 "[ . 1]" 1 1721 1 104 LYS HD2 1 105 MET H 6.500 . 6.500 4.139 2.814 4.965 . 0 0 "[ . 1]" 1 1722 1 104 LYS HD3 1 105 MET H 6.500 . 6.500 3.741 2.520 5.566 . 0 0 "[ . 1]" 1 1723 1 104 LYS HG2 1 105 MET H 6.500 . 6.500 4.249 3.608 4.557 . 0 0 "[ . 1]" 1 1724 1 104 LYS HG3 1 105 MET H 6.500 . 6.500 2.791 2.294 3.338 . 0 0 "[ . 1]" 1 1725 1 105 MET H 1 106 LEU H 6.500 . 6.500 2.567 2.362 2.849 . 0 0 "[ . 1]" 1 1726 1 105 MET H 1 107 TYR H 6.500 . 6.500 3.997 3.626 4.791 . 0 0 "[ . 1]" 1 1727 1 105 MET HA 1 106 LEU H 6.500 . 6.500 3.522 3.441 3.577 . 0 0 "[ . 1]" 1 1728 1 105 MET HA 1 107 TYR H 6.500 . 6.500 4.291 3.817 4.785 . 0 0 "[ . 1]" 1 1729 1 105 MET HA 1 108 SER H 6.500 . 6.500 3.436 3.077 4.006 . 0 0 "[ . 1]" 1 1730 1 105 MET HA 1 109 SER H 6.500 . 6.500 4.977 4.184 5.997 . 0 0 "[ . 1]" 1 1731 1 105 MET QB 1 109 SER H 6.500 . 6.500 5.866 5.140 6.565 0.065 8 0 "[ . 1]" 1 1732 1 105 MET HB2 1 106 LEU H 6.500 . 6.500 3.704 3.516 3.972 . 0 0 "[ . 1]" 1 1733 1 105 MET HB2 1 108 SER H 6.500 . 6.500 5.692 5.463 6.251 . 0 0 "[ . 1]" 1 1734 1 105 MET HB3 1 106 LEU H 6.500 . 6.500 2.604 2.243 3.013 . 0 0 "[ . 1]" 1 1735 1 105 MET HB3 1 108 SER H 6.500 . 6.500 5.337 5.089 5.638 . 0 0 "[ . 1]" 1 1736 1 105 MET HG2 1 106 LEU H 6.500 . 6.500 4.811 4.421 5.068 . 0 0 "[ . 1]" 1 1737 1 105 MET HG3 1 106 LEU H 6.500 . 6.500 4.975 4.584 5.382 . 0 0 "[ . 1]" 1 1738 1 106 LEU H 1 107 TYR H 6.500 . 6.500 2.628 2.505 2.867 . 0 0 "[ . 1]" 1 1739 1 106 LEU H 1 108 SER H 6.500 . 6.500 4.046 3.696 4.264 . 0 0 "[ . 1]" 1 1740 1 106 LEU HA 1 107 TYR H 6.500 . 6.500 3.492 3.416 3.580 . 0 0 "[ . 1]" 1 1741 1 106 LEU HA 1 108 SER H 6.500 . 6.500 4.138 3.938 4.393 . 0 0 "[ . 1]" 1 1742 1 106 LEU HA 1 109 SER H 6.500 . 6.500 3.803 3.236 4.693 . 0 0 "[ . 1]" 1 1743 1 106 LEU HA 1 110 SER H 6.500 . 6.500 4.666 4.118 5.415 . 0 0 "[ . 1]" 1 1744 1 106 LEU QB 1 108 SER H 6.500 . 6.500 4.763 4.188 5.241 . 0 0 "[ . 1]" 1 1745 1 106 LEU QB 1 110 SER H 6.500 . 6.500 5.020 4.715 5.372 . 0 0 "[ . 1]" 1 1746 1 106 LEU HB2 1 107 TYR H 6.500 . 6.500 3.142 2.301 3.870 . 0 0 "[ . 1]" 1 1747 1 106 LEU HB2 1 108 SER H 6.500 . 6.500 5.161 4.434 5.784 . 0 0 "[ . 1]" 1 1748 1 106 LEU HB2 1 110 SER H 6.500 . 6.500 5.564 4.911 6.298 . 0 0 "[ . 1]" 1 1749 1 106 LEU HB3 1 107 TYR H 6.500 . 6.500 3.910 3.495 4.163 . 0 0 "[ . 1]" 1 1750 1 106 LEU HB3 1 108 SER H 6.500 . 6.500 5.614 5.144 5.995 . 0 0 "[ . 1]" 1 1751 1 106 LEU QD 1 107 TYR H 6.500 . 6.500 3.157 2.189 4.059 . 0 0 "[ . 1]" 1 1752 1 106 LEU QD 1 108 SER H 6.500 . 6.500 4.772 4.291 5.253 . 0 0 "[ . 1]" 1 1753 1 106 LEU MD1 1 107 TYR H 6.500 . 6.500 3.354 2.197 4.500 . 0 0 "[ . 1]" 1 1754 1 106 LEU MD1 1 108 SER H 6.500 . 6.500 5.355 4.386 6.389 . 0 0 "[ . 1]" 1 1755 1 106 LEU MD2 1 107 TYR H 6.500 . 6.500 4.319 3.953 4.618 . 0 0 "[ . 1]" 1 1756 1 106 LEU MD2 1 108 SER H 6.500 . 6.500 5.775 5.275 6.089 . 0 0 "[ . 1]" 1 1757 1 106 LEU HG 1 107 TYR H 6.500 . 6.500 3.234 2.274 4.073 . 0 0 "[ . 1]" 1 1758 1 107 TYR H 1 108 SER H 6.500 . 6.500 2.570 2.430 2.737 . 0 0 "[ . 1]" 1 1759 1 107 TYR H 1 109 SER H 6.500 . 6.500 4.291 3.825 4.970 . 0 0 "[ . 1]" 1 1760 1 107 TYR HA 1 108 SER H 5.500 . 5.500 3.479 3.356 3.559 . 0 0 "[ . 1]" 1 1761 1 107 TYR HA 1 109 SER H 6.500 . 6.500 4.097 3.792 4.361 . 0 0 "[ . 1]" 1 1762 1 107 TYR HA 1 110 SER H 6.500 . 6.500 3.320 3.066 3.656 . 0 0 "[ . 1]" 1 1763 1 107 TYR HA 1 111 PHE H 6.500 . 6.500 3.929 3.413 4.386 . 0 0 "[ . 1]" 1 1764 1 107 TYR QB 1 109 SER H 6.500 . 6.500 4.879 4.496 5.250 . 0 0 "[ . 1]" 1 1765 1 107 TYR HB2 1 108 SER H 6.500 . 6.500 3.930 2.883 4.361 . 0 0 "[ . 1]" 1 1766 1 107 TYR HB3 1 108 SER H 6.500 . 6.500 3.297 2.712 4.271 . 0 0 "[ . 1]" 1 1767 1 108 SER H 1 109 SER H 6.500 . 6.500 2.668 2.444 2.962 . 0 0 "[ . 1]" 1 1768 1 108 SER H 1 110 SER H 6.500 . 6.500 4.214 3.938 4.332 . 0 0 "[ . 1]" 1 1769 1 108 SER H 1 111 PHE H 6.500 . 6.500 4.813 4.576 4.931 . 0 0 "[ . 1]" 1 1770 1 108 SER HA 1 110 SER H 6.500 . 6.500 4.690 4.394 4.930 . 0 0 "[ . 1]" 1 1771 1 108 SER HA 1 111 PHE H 6.500 . 6.500 3.862 3.219 4.339 . 0 0 "[ . 1]" 1 1772 1 108 SER HB2 1 109 SER H 6.500 . 6.500 3.209 2.467 3.982 . 0 0 "[ . 1]" 1 1773 1 108 SER HB3 1 109 SER H 6.500 . 6.500 3.438 2.592 4.020 . 0 0 "[ . 1]" 1 1774 1 109 SER H 1 110 SER H 6.500 . 6.500 2.480 2.378 2.692 . 0 0 "[ . 1]" 1 1775 1 109 SER H 1 111 PHE H 6.500 . 6.500 3.901 3.657 4.155 . 0 0 "[ . 1]" 1 1776 1 109 SER QB 1 110 SER H 6.500 . 6.500 2.681 2.409 3.289 . 0 0 "[ . 1]" 1 1777 1 109 SER QB 1 111 PHE H 6.500 . 6.500 4.650 4.381 5.121 . 0 0 "[ . 1]" 1 1778 1 109 SER QB 1 112 ASP H 6.500 . 6.500 5.341 4.878 5.795 . 0 0 "[ . 1]" 1 1779 1 110 SER H 1 111 PHE H 5.500 . 5.500 2.626 2.501 2.854 . 0 0 "[ . 1]" 1 1780 1 110 SER H 1 111 PHE HB2 6.500 . 6.500 4.899 4.730 5.110 . 0 0 "[ . 1]" 1 1781 1 110 SER H 1 111 PHE HB3 6.500 . 6.500 4.896 4.773 5.162 . 0 0 "[ . 1]" 1 1782 1 110 SER H 1 112 ASP H 6.500 . 6.500 4.688 4.422 4.932 . 0 0 "[ . 1]" 1 1783 1 110 SER HA 1 112 ASP H 6.500 . 6.500 4.297 3.874 4.561 . 0 0 "[ . 1]" 1 1784 1 110 SER HA 1 113 ALA H 6.500 . 6.500 3.272 2.955 3.693 . 0 0 "[ . 1]" 1 1785 1 110 SER HA 1 113 ALA MB 6.500 . 6.500 2.294 1.805 2.820 . 0 0 "[ . 1]" 1 1786 1 110 SER HA 1 114 LEU H 6.500 . 6.500 3.943 3.693 4.413 . 0 0 "[ . 1]" 1 1787 1 110 SER QB 1 113 ALA MB 6.500 . 6.500 3.593 3.003 4.281 . 0 0 "[ . 1]" 1 1788 1 110 SER HB2 1 111 PHE H 6.500 . 6.500 3.551 2.592 4.032 . 0 0 "[ . 1]" 1 1789 1 110 SER HB2 1 113 ALA MB 6.500 . 6.500 4.138 3.249 5.234 . 0 0 "[ . 1]" 1 1790 1 110 SER HB3 1 111 PHE H 6.500 . 6.500 4.025 2.721 4.470 . 0 0 "[ . 1]" 1 1791 1 110 SER HB3 1 113 ALA MB 6.500 . 6.500 4.040 3.493 4.906 . 0 0 "[ . 1]" 1 1792 1 111 PHE H 1 112 ASP H 5.500 . 5.500 2.901 2.722 3.013 . 0 0 "[ . 1]" 1 1793 1 111 PHE H 1 112 ASP HB2 6.500 . 6.500 5.419 5.229 5.647 . 0 0 "[ . 1]" 1 1794 1 111 PHE H 1 112 ASP QB 6.500 . 6.500 4.762 4.538 4.897 . 0 0 "[ . 1]" 1 1795 1 111 PHE H 1 112 ASP HB3 6.500 . 6.500 5.283 4.979 5.464 . 0 0 "[ . 1]" 1 1796 1 111 PHE H 1 113 ALA H 6.500 . 6.500 4.049 3.739 4.444 . 0 0 "[ . 1]" 1 1797 1 111 PHE H 1 114 LEU QD 6.500 . 6.500 4.078 3.744 4.440 . 0 0 "[ . 1]" 1 1798 1 111 PHE HA 1 113 ALA H 6.500 . 6.500 4.505 4.153 4.851 . 0 0 "[ . 1]" 1 1799 1 111 PHE HA 1 114 LEU H 6.500 . 6.500 4.218 3.983 4.518 . 0 0 "[ . 1]" 1 1800 1 111 PHE HA 1 115 LYS H 6.500 . 6.500 5.088 4.821 5.355 . 0 0 "[ . 1]" 1 1801 1 111 PHE QB 1 112 ASP H 5.500 . 5.500 2.545 2.339 2.759 . 0 0 "[ . 1]" 1 1802 1 111 PHE HB2 1 112 ASP H 6.500 . 6.500 3.908 3.805 4.021 . 0 0 "[ . 1]" 1 1803 1 111 PHE HB3 1 112 ASP H 6.500 . 6.500 2.579 2.361 2.810 . 0 0 "[ . 1]" 1 1804 1 111 PHE QD 1 126 GLN H 6.500 . 6.500 6.065 5.702 6.318 . 0 0 "[ . 1]" 1 1805 1 111 PHE QD 1 127 ALA H 6.500 . 6.500 6.516 6.416 6.590 0.090 4 0 "[ . 1]" 1 1806 1 111 PHE QE 1 126 GLN H 6.500 . 6.500 4.214 3.714 4.663 . 0 0 "[ . 1]" 1 1807 1 111 PHE QE 1 127 ALA H 6.500 . 6.500 5.639 5.444 6.091 . 0 0 "[ . 1]" 1 1808 1 112 ASP H 1 113 ALA H 5.500 . 5.500 2.364 2.316 2.465 . 0 0 "[ . 1]" 1 1809 1 112 ASP H 1 114 LEU H 6.500 . 6.500 4.290 3.996 4.660 . 0 0 "[ . 1]" 1 1810 1 112 ASP H 1 115 LYS HD2 6.500 . 6.500 5.173 5.040 5.442 . 0 0 "[ . 1]" 1 1811 1 112 ASP H 1 115 LYS HD3 6.500 . 6.500 4.329 4.137 4.887 . 0 0 "[ . 1]" 1 1812 1 112 ASP H 1 115 LYS HG2 6.500 . 6.500 6.518 6.441 6.569 0.069 5 0 "[ . 1]" 1 1813 1 112 ASP H 1 115 LYS HG3 6.500 . 6.500 4.960 4.865 5.032 . 0 0 "[ . 1]" 1 1814 1 112 ASP HA 1 114 LEU H 6.500 . 6.500 4.372 4.122 4.593 . 0 0 "[ . 1]" 1 1815 1 112 ASP HA 1 115 LYS H 6.500 . 6.500 3.461 3.177 3.838 . 0 0 "[ . 1]" 1 1816 1 112 ASP HA 1 115 LYS HA 6.500 . 6.500 5.225 4.928 5.729 . 0 0 "[ . 1]" 1 1817 1 112 ASP HA 1 115 LYS HB2 6.500 . 6.500 2.933 2.530 3.344 . 0 0 "[ . 1]" 1 1818 1 112 ASP HA 1 115 LYS HB3 6.500 . 6.500 4.275 3.962 4.710 . 0 0 "[ . 1]" 1 1819 1 112 ASP HA 1 115 LYS QG 5.500 . 5.500 2.804 2.616 3.095 . 0 0 "[ . 1]" 1 1820 1 112 ASP HA 1 116 LYS H 6.500 . 6.500 5.110 4.749 5.487 . 0 0 "[ . 1]" 1 1821 1 112 ASP HB2 1 113 ALA H 6.500 . 6.500 4.030 3.902 4.148 . 0 0 "[ . 1]" 1 1822 1 112 ASP HB3 1 113 ALA H 6.500 . 6.500 2.926 2.651 3.193 . 0 0 "[ . 1]" 1 1823 1 113 ALA H 1 114 LEU H 6.500 . 6.500 2.739 2.684 2.848 . 0 0 "[ . 1]" 1 1824 1 113 ALA H 1 114 LEU QD 6.500 . 6.500 4.086 3.401 4.523 . 0 0 "[ . 1]" 1 1825 1 113 ALA H 1 115 LYS H 6.500 . 6.500 3.983 3.851 4.075 . 0 0 "[ . 1]" 1 1826 1 113 ALA H 1 116 LYS H 6.500 . 6.500 5.281 4.862 5.517 . 0 0 "[ . 1]" 1 1827 1 113 ALA HA 1 115 LYS H 6.500 . 6.500 4.111 3.934 4.263 . 0 0 "[ . 1]" 1 1828 1 113 ALA HA 1 116 LYS H 6.500 . 6.500 3.801 3.468 3.974 . 0 0 "[ . 1]" 1 1829 1 113 ALA HA 1 116 LYS HB2 6.500 . 6.500 4.075 3.396 4.704 . 0 0 "[ . 1]" 1 1830 1 113 ALA HA 1 116 LYS HB3 5.500 . 5.500 3.735 3.036 4.007 . 0 0 "[ . 1]" 1 1831 1 113 ALA HA 1 116 LYS HE2 5.500 . 5.500 4.266 3.521 5.516 0.016 4 0 "[ . 1]" 1 1832 1 113 ALA HA 1 116 LYS HE3 5.500 . 5.500 5.115 3.491 5.564 0.064 8 0 "[ . 1]" 1 1833 1 113 ALA HA 1 117 SER H 6.500 . 6.500 5.405 4.906 5.722 . 0 0 "[ . 1]" 1 1834 1 113 ALA MB 1 114 LEU H 6.500 . 6.500 2.570 2.435 2.699 . 0 0 "[ . 1]" 1 1835 1 113 ALA MB 1 116 LYS HB2 6.500 . 6.500 5.224 4.692 5.810 . 0 0 "[ . 1]" 1 1836 1 113 ALA MB 1 116 LYS HB3 6.500 . 6.500 4.496 3.993 4.810 . 0 0 "[ . 1]" 1 1837 1 113 ALA MB 1 116 LYS HE2 5.500 . 5.500 4.375 3.567 5.550 0.050 6 0 "[ . 1]" 1 1838 1 113 ALA MB 1 116 LYS HE3 5.500 . 5.500 4.770 4.187 5.518 0.018 4 0 "[ . 1]" 1 1839 1 114 LEU H 1 115 LYS H 6.500 . 6.500 2.500 2.415 2.598 . 0 0 "[ . 1]" 1 1840 1 114 LEU H 1 116 LYS H 6.500 . 6.500 4.155 3.888 4.336 . 0 0 "[ . 1]" 1 1841 1 114 LEU H 1 117 SER H 6.500 . 6.500 5.056 4.814 5.202 . 0 0 "[ . 1]" 1 1842 1 114 LEU HA 1 115 LYS H 5.500 . 5.500 3.435 3.409 3.455 . 0 0 "[ . 1]" 1 1843 1 114 LEU HA 1 116 LYS H 6.500 . 6.500 3.648 3.451 3.959 . 0 0 "[ . 1]" 1 1844 1 114 LEU HA 1 117 SER H 6.500 . 6.500 3.013 2.790 3.215 . 0 0 "[ . 1]" 1 1845 1 114 LEU HA 1 118 LEU H 6.500 . 6.500 3.931 3.772 4.116 . 0 0 "[ . 1]" 1 1846 1 114 LEU HB2 1 115 LYS H 6.500 . 6.500 4.090 3.933 4.334 . 0 0 "[ . 1]" 1 1847 1 114 LEU HB3 1 115 LYS H 6.500 . 6.500 4.141 3.907 4.304 . 0 0 "[ . 1]" 1 1848 1 114 LEU QD 1 118 LEU QD 6.500 . 6.500 1.763 1.520 2.004 . 0 0 "[ . 1]" 1 1849 1 114 LEU HG 1 115 LYS H 6.500 . 6.500 2.935 2.650 3.225 . 0 0 "[ . 1]" 1 1850 1 114 LEU HG 1 118 LEU QD 6.500 . 6.500 3.290 2.095 4.246 . 0 0 "[ . 1]" 1 1851 1 115 LYS H 1 115 LYS HD2 6.500 . 6.500 4.578 4.491 4.733 . 0 0 "[ . 1]" 1 1852 1 115 LYS H 1 115 LYS HD3 6.500 . 6.500 3.759 3.609 3.946 . 0 0 "[ . 1]" 1 1853 1 115 LYS H 1 115 LYS HE2 6.500 . 6.500 5.287 5.106 5.431 . 0 0 "[ . 1]" 1 1854 1 115 LYS H 1 115 LYS HE3 6.500 . 6.500 5.984 5.868 6.089 . 0 0 "[ . 1]" 1 1855 1 115 LYS H 1 116 LYS H 6.500 . 6.500 2.606 2.503 2.737 . 0 0 "[ . 1]" 1 1856 1 115 LYS H 1 117 SER H 6.500 . 6.500 4.050 3.844 4.283 . 0 0 "[ . 1]" 1 1857 1 115 LYS HA 1 117 SER H 6.500 . 6.500 4.062 3.687 4.404 . 0 0 "[ . 1]" 1 1858 1 115 LYS HA 1 118 LEU H 6.500 . 6.500 3.695 3.475 3.882 . 0 0 "[ . 1]" 1 1859 1 115 LYS HA 1 118 LEU MD1 6.500 . 6.500 2.444 1.860 4.023 . 0 0 "[ . 1]" 1 1860 1 115 LYS HA 1 118 LEU MD2 6.500 . 6.500 3.924 2.236 5.514 . 0 0 "[ . 1]" 1 1861 1 115 LYS HA 1 118 LEU HG 6.500 . 6.500 3.264 2.412 4.649 . 0 0 "[ . 1]" 1 1862 1 115 LYS HA 1 121 VAL QG 6.500 . 6.500 3.927 3.075 4.852 . 0 0 "[ . 1]" 1 1863 1 115 LYS HD2 1 116 LYS H 6.500 . 6.500 6.389 6.288 6.473 . 0 0 "[ . 1]" 1 1864 1 115 LYS HD3 1 116 LYS H 6.500 . 6.500 5.236 5.075 5.328 . 0 0 "[ . 1]" 1 1865 1 115 LYS QE 1 124 TYR QB 5.000 . 5.000 3.792 3.355 4.266 . 0 0 "[ . 1]" 1 1866 1 115 LYS HE2 1 124 TYR HB2 5.500 . 5.500 4.914 4.189 5.319 . 0 0 "[ . 1]" 1 1867 1 115 LYS HE2 1 124 TYR HB3 5.500 . 5.500 4.439 3.834 5.191 . 0 0 "[ . 1]" 1 1868 1 115 LYS HE3 1 124 TYR HB2 5.500 . 5.500 4.980 4.435 5.417 . 0 0 "[ . 1]" 1 1869 1 115 LYS HE3 1 124 TYR HB3 6.500 . 6.500 5.077 4.470 5.938 . 0 0 "[ . 1]" 1 1870 1 115 LYS HG2 1 116 LYS H 6.500 . 6.500 5.165 5.085 5.234 . 0 0 "[ . 1]" 1 1871 1 115 LYS HG3 1 116 LYS H 6.500 . 6.500 4.476 4.364 4.607 . 0 0 "[ . 1]" 1 1872 1 116 LYS H 1 116 LYS HD2 6.500 . 6.500 4.558 4.345 5.017 . 0 0 "[ . 1]" 1 1873 1 116 LYS H 1 116 LYS HD3 6.500 . 6.500 5.707 5.570 5.938 . 0 0 "[ . 1]" 1 1874 1 116 LYS H 1 116 LYS HE2 6.500 . 6.500 4.113 3.497 5.371 . 0 0 "[ . 1]" 1 1875 1 116 LYS H 1 116 LYS HE3 6.500 . 6.500 4.953 3.829 5.469 . 0 0 "[ . 1]" 1 1876 1 116 LYS H 1 118 LEU H 6.500 . 6.500 4.235 3.870 4.451 . 0 0 "[ . 1]" 1 1877 1 116 LYS HA 1 118 LEU H 6.500 . 6.500 4.941 4.360 5.344 . 0 0 "[ . 1]" 1 1878 1 116 LYS HB2 1 117 SER H 6.500 . 6.500 4.086 3.762 4.241 . 0 0 "[ . 1]" 1 1879 1 116 LYS HB3 1 117 SER H 6.500 . 6.500 2.946 2.539 3.163 . 0 0 "[ . 1]" 1 1880 1 116 LYS HD2 1 117 SER H 6.500 . 6.500 3.675 3.301 4.388 . 0 0 "[ . 1]" 1 1881 1 116 LYS HD3 1 117 SER H 6.500 . 6.500 5.287 4.964 5.740 . 0 0 "[ . 1]" 1 1882 1 116 LYS HG2 1 117 SER H 6.500 . 6.500 4.502 3.973 4.905 . 0 0 "[ . 1]" 1 1883 1 116 LYS HG3 1 117 SER H 6.500 . 6.500 5.178 4.956 5.314 . 0 0 "[ . 1]" 1 1884 1 117 SER H 1 118 LEU H 5.500 . 5.500 2.452 2.360 2.586 . 0 0 "[ . 1]" 1 1885 1 117 SER H 1 118 LEU HB2 6.500 . 6.500 5.879 4.647 6.100 . 0 0 "[ . 1]" 1 1886 1 117 SER H 1 118 LEU HB3 6.500 . 6.500 5.449 5.072 5.986 . 0 0 "[ . 1]" 1 1887 1 117 SER H 1 118 LEU HG 6.500 . 6.500 3.782 3.586 4.210 . 0 0 "[ . 1]" 1 1888 1 117 SER H 1 119 VAL H 6.500 . 6.500 4.112 3.779 4.570 . 0 0 "[ . 1]" 1 1889 1 117 SER HA 1 118 LEU H 6.500 . 6.500 3.561 3.489 3.592 . 0 0 "[ . 1]" 1 1890 1 117 SER HB2 1 118 LEU H 6.500 . 6.500 2.749 2.261 3.716 . 0 0 "[ . 1]" 1 1891 1 117 SER HB3 1 118 LEU H 6.500 . 6.500 3.405 2.290 3.970 . 0 0 "[ . 1]" 1 1892 1 118 LEU H 1 118 LEU HG 5.500 . 5.500 1.939 1.753 2.563 . 0 0 "[ . 1]" 1 1893 1 118 LEU H 1 119 VAL H 6.500 . 6.500 3.017 2.587 3.473 . 0 0 "[ . 1]" 1 1894 1 118 LEU HA 1 119 VAL H 6.500 . 6.500 2.840 2.512 3.217 . 0 0 "[ . 1]" 1 1895 1 118 LEU HA 1 121 VAL MG2 6.500 . 6.500 5.409 4.014 6.556 0.056 5 0 "[ . 1]" 1 1896 1 118 LEU HB2 1 119 VAL H 6.500 . 6.500 4.332 4.073 4.394 . 0 0 "[ . 1]" 1 1897 1 118 LEU HB3 1 119 VAL H 6.500 . 6.500 4.585 4.447 4.654 . 0 0 "[ . 1]" 1 1898 1 118 LEU QD 1 119 VAL H 6.500 . 6.500 3.668 2.824 4.474 . 0 0 "[ . 1]" 1 1899 1 118 LEU MD1 1 119 VAL H 6.500 . 6.500 3.910 2.842 5.542 . 0 0 "[ . 1]" 1 1900 1 118 LEU MD2 1 119 VAL H 6.500 . 6.500 5.209 4.463 5.570 . 0 0 "[ . 1]" 1 1901 1 118 LEU HG 1 119 VAL H 5.500 . 5.500 4.411 3.625 4.891 . 0 0 "[ . 1]" 1 1902 1 119 VAL H 1 120 GLY H 6.500 . 6.500 4.501 3.823 4.633 . 0 0 "[ . 1]" 1 1903 1 119 VAL HB 1 120 GLY H 6.500 . 6.500 4.136 4.016 4.422 . 0 0 "[ . 1]" 1 1904 1 119 VAL QG 1 120 GLY QA 5.500 . 5.500 3.045 2.944 3.300 . 0 0 "[ . 1]" 1 1905 1 119 VAL MG1 1 120 GLY H 6.500 . 6.500 3.952 3.647 4.279 . 0 0 "[ . 1]" 1 1906 1 119 VAL MG1 1 120 GLY HA2 6.500 . 6.500 4.500 4.215 4.782 . 0 0 "[ . 1]" 1 1907 1 119 VAL MG1 1 120 GLY HA3 6.500 . 6.500 4.170 3.984 4.457 . 0 0 "[ . 1]" 1 1908 1 119 VAL MG2 1 120 GLY H 6.500 . 6.500 2.575 2.185 3.375 . 0 0 "[ . 1]" 1 1909 1 119 VAL MG2 1 120 GLY HA2 6.500 . 6.500 3.385 3.282 3.700 . 0 0 "[ . 1]" 1 1910 1 119 VAL MG2 1 120 GLY HA3 6.500 . 6.500 3.920 3.753 4.233 . 0 0 "[ . 1]" 1 1911 1 120 GLY H 1 121 VAL H 6.500 . 6.500 2.457 2.005 4.137 . 0 0 "[ . 1]" 1 1912 1 121 VAL H 1 122 GLN H 6.500 . 6.500 4.506 3.876 4.649 . 0 0 "[ . 1]" 1 1913 1 121 VAL HA 1 122 GLN H 6.500 . 6.500 2.223 2.127 2.308 . 0 0 "[ . 1]" 1 1914 1 121 VAL HA 1 122 GLN HG2 6.500 . 6.500 4.705 3.561 5.678 . 0 0 "[ . 1]" 1 1915 1 121 VAL HA 1 122 GLN HG3 6.500 . 6.500 4.341 3.481 5.727 . 0 0 "[ . 1]" 1 1916 1 121 VAL HA 1 123 LYS H 6.500 . 6.500 3.971 3.305 4.766 . 0 0 "[ . 1]" 1 1917 1 121 VAL HB 1 122 GLN H 6.500 . 6.500 4.168 3.978 4.395 . 0 0 "[ . 1]" 1 1918 1 121 VAL QG 1 123 LYS H 6.500 . 6.500 2.250 1.776 2.687 . 0 0 "[ . 1]" 1 1919 1 121 VAL MG1 1 122 GLN H 6.500 . 6.500 3.028 2.299 3.712 . 0 0 "[ . 1]" 1 1920 1 121 VAL MG2 1 122 GLN H 6.500 . 6.500 3.268 2.048 4.235 . 0 0 "[ . 1]" 1 1921 1 122 GLN H 1 123 LYS H 6.500 . 6.500 2.334 2.086 2.720 . 0 0 "[ . 1]" 1 1922 1 122 GLN QB 1 123 LYS H 5.500 . 5.500 2.876 2.135 3.502 . 0 0 "[ . 1]" 1 1923 1 122 GLN QB 1 145 THR MG 6.500 . 6.500 3.435 2.037 5.872 . 0 0 "[ . 1]" 1 1924 1 122 GLN HB2 1 123 LYS H 6.500 . 6.500 2.986 2.166 3.698 . 0 0 "[ . 1]" 1 1925 1 122 GLN HB3 1 123 LYS H 6.500 . 6.500 3.817 3.225 4.331 . 0 0 "[ . 1]" 1 1926 1 122 GLN HG2 1 123 LYS H 6.500 . 6.500 4.879 4.474 5.198 . 0 0 "[ . 1]" 1 1927 1 122 GLN HG3 1 123 LYS H 6.500 . 6.500 4.706 4.088 5.706 . 0 0 "[ . 1]" 1 1928 1 123 LYS H 1 123 LYS HD2 6.500 . 6.500 5.416 4.808 6.174 . 0 0 "[ . 1]" 1 1929 1 123 LYS H 1 123 LYS HD3 6.500 . 6.500 6.100 4.984 6.520 0.020 10 0 "[ . 1]" 1 1930 1 123 LYS H 1 123 LYS HE2 6.500 . 6.500 5.516 4.627 6.454 . 0 0 "[ . 1]" 1 1931 1 123 LYS H 1 123 LYS HE3 6.500 . 6.500 5.746 4.599 6.610 0.110 4 0 "[ . 1]" 1 1932 1 123 LYS H 1 124 TYR H 6.500 . 6.500 4.211 3.832 4.413 . 0 0 "[ . 1]" 1 1933 1 123 LYS HA 1 124 TYR H 5.500 . 5.500 2.166 2.130 2.236 . 0 0 "[ . 1]" 1 1934 1 123 LYS HA 1 125 ILE MG 6.500 . 6.500 5.699 4.984 6.297 . 0 0 "[ . 1]" 1 1935 1 123 LYS HB2 1 124 TYR H 6.500 . 6.500 4.055 3.842 4.329 . 0 0 "[ . 1]" 1 1936 1 123 LYS HB3 1 124 TYR H 6.500 . 6.500 4.239 3.994 4.480 . 0 0 "[ . 1]" 1 1937 1 123 LYS HD2 1 124 TYR H 6.500 . 6.500 5.038 4.329 5.348 . 0 0 "[ . 1]" 1 1938 1 123 LYS HD2 1 141 LYS H 6.500 . 6.500 6.000 4.906 6.509 0.009 6 0 "[ . 1]" 1 1939 1 123 LYS HD2 1 141 LYS HD2 5.500 . 5.500 4.479 3.577 5.439 . 0 0 "[ . 1]" 1 1940 1 123 LYS HD2 1 141 LYS HD3 5.500 . 5.500 4.888 3.448 5.649 0.149 10 0 "[ . 1]" 1 1941 1 123 LYS HD2 1 145 THR HB 6.500 . 6.500 4.632 3.582 6.523 0.023 9 0 "[ . 1]" 1 1942 1 123 LYS HD3 1 124 TYR H 6.500 . 6.500 4.596 2.597 5.056 . 0 0 "[ . 1]" 1 1943 1 123 LYS HD3 1 141 LYS H 6.500 . 6.500 6.016 5.396 6.609 0.109 9 0 "[ . 1]" 1 1944 1 123 LYS HD3 1 141 LYS HD2 5.500 . 5.500 4.500 3.326 5.581 0.081 9 0 "[ . 1]" 1 1945 1 123 LYS HD3 1 141 LYS HD3 5.500 . 5.500 4.452 3.402 5.520 0.020 9 0 "[ . 1]" 1 1946 1 123 LYS HD3 1 145 THR HB 6.500 . 6.500 5.837 4.402 6.547 0.047 9 0 "[ . 1]" 1 1947 1 123 LYS HE2 1 142 LEU HA 6.500 . 6.500 5.442 3.393 6.534 0.034 8 0 "[ . 1]" 1 1948 1 123 LYS HE3 1 142 LEU HA 6.500 . 6.500 4.661 1.990 6.391 . 0 0 "[ . 1]" 1 1949 1 123 LYS HG2 1 124 TYR H 6.500 . 6.500 3.739 2.796 4.949 . 0 0 "[ . 1]" 1 1950 1 123 LYS HG3 1 124 TYR H 5.000 . 5.000 2.848 2.403 3.912 . 0 0 "[ . 1]" 1 1951 1 124 TYR H 1 124 TYR HE1 6.500 . 6.500 4.380 4.026 4.966 . 0 0 "[ . 1]" 1 1952 1 124 TYR H 1 124 TYR HE2 6.500 . 6.500 4.943 4.214 5.398 . 0 0 "[ . 1]" 1 1953 1 124 TYR H 1 125 ILE H 6.500 . 6.500 4.289 4.151 4.410 . 0 0 "[ . 1]" 1 1954 1 124 TYR HA 1 125 ILE H 5.500 . 5.500 2.143 2.109 2.188 . 0 0 "[ . 1]" 1 1955 1 124 TYR QB 1 125 ILE H 6.500 . 6.500 3.211 3.000 3.435 . 0 0 "[ . 1]" 1 1956 1 124 TYR HB2 1 125 ILE H 6.500 . 6.500 3.364 3.107 3.637 . 0 0 "[ . 1]" 1 1957 1 124 TYR HB3 1 125 ILE H 6.500 . 6.500 4.081 3.785 4.222 . 0 0 "[ . 1]" 1 1958 1 124 TYR HD1 1 125 ILE H 6.500 . 6.500 5.503 4.377 5.895 . 0 0 "[ . 1]" 1 1959 1 124 TYR HD2 1 125 ILE H 6.500 . 6.500 5.131 4.477 5.951 . 0 0 "[ . 1]" 1 1960 1 125 ILE H 1 126 GLN H 6.500 . 6.500 4.265 4.077 4.433 . 0 0 "[ . 1]" 1 1961 1 125 ILE HA 1 126 GLN H 5.500 . 5.500 2.224 2.130 2.407 . 0 0 "[ . 1]" 1 1962 1 125 ILE HA 1 141 LYS HB2 6.500 . 6.500 6.320 5.999 6.697 0.197 10 0 "[ . 1]" 1 1963 1 125 ILE HA 1 141 LYS HB3 6.500 . 6.500 6.524 6.051 6.646 0.146 1 0 "[ . 1]" 1 1964 1 125 ILE HB 1 126 GLN H 6.500 . 6.500 4.142 3.996 4.263 . 0 0 "[ . 1]" 1 1965 1 125 ILE HB 1 138 VAL QG 6.500 . 6.500 6.698 6.098 7.315 0.815 3 3 "[ -+ . *]" 1 1966 1 125 ILE HB 1 141 LYS HB2 5.500 . 5.500 3.954 3.574 4.463 . 0 0 "[ . 1]" 1 1967 1 125 ILE HB 1 141 LYS HB3 6.500 . 6.500 4.300 3.616 4.555 . 0 0 "[ . 1]" 1 1968 1 125 ILE MD 1 126 GLN H 6.500 . 6.500 4.069 2.630 4.591 . 0 0 "[ . 1]" 1 1969 1 125 ILE MD 1 127 ALA H 6.500 . 6.500 5.812 5.360 6.199 . 0 0 "[ . 1]" 1 1970 1 125 ILE MD 1 127 ALA MB 6.500 . 6.500 4.632 4.155 5.698 . 0 0 "[ . 1]" 1 1971 1 125 ILE MD 1 141 LYS H 6.500 . 6.500 4.904 4.471 6.531 0.031 8 0 "[ . 1]" 1 1972 1 125 ILE MD 1 141 LYS HB2 6.500 . 6.500 3.125 2.488 4.265 . 0 0 "[ . 1]" 1 1973 1 125 ILE MD 1 141 LYS HB3 6.500 . 6.500 2.552 1.925 4.030 . 0 0 "[ . 1]" 1 1974 1 125 ILE QG 1 138 VAL QG 6.500 . 6.500 6.029 5.586 6.406 . 0 0 "[ . 1]" 1 1975 1 125 ILE HG12 1 126 GLN H 6.500 . 6.500 3.017 2.434 3.674 . 0 0 "[ . 1]" 1 1976 1 125 ILE HG12 1 127 ALA H 6.500 . 6.500 4.865 4.316 6.238 . 0 0 "[ . 1]" 1 1977 1 125 ILE HG12 1 127 ALA MB 6.500 . 6.500 4.312 3.989 5.189 . 0 0 "[ . 1]" 1 1978 1 125 ILE HG12 1 141 LYS HB2 6.500 . 6.500 5.297 4.414 6.126 . 0 0 "[ . 1]" 1 1979 1 125 ILE HG12 1 141 LYS HB3 6.500 . 6.500 4.888 3.771 5.561 . 0 0 "[ . 1]" 1 1980 1 125 ILE HG13 1 126 GLN H 6.500 . 6.500 2.728 1.955 3.205 . 0 0 "[ . 1]" 1 1981 1 125 ILE HG13 1 127 ALA H 6.500 . 6.500 5.949 4.988 6.359 . 0 0 "[ . 1]" 1 1982 1 125 ILE HG13 1 127 ALA MB 6.500 . 6.500 5.585 4.789 6.165 . 0 0 "[ . 1]" 1 1983 1 125 ILE HG13 1 141 LYS HB2 6.500 . 6.500 5.528 4.973 6.232 . 0 0 "[ . 1]" 1 1984 1 125 ILE HG13 1 141 LYS HB3 6.500 . 6.500 5.122 4.700 5.520 . 0 0 "[ . 1]" 1 1985 1 125 ILE MG 1 126 GLN H 6.500 . 6.500 3.889 3.310 4.195 . 0 0 "[ . 1]" 1 1986 1 125 ILE MG 1 127 ALA H 6.500 . 6.500 4.724 4.161 4.970 . 0 0 "[ . 1]" 1 1987 1 125 ILE MG 1 127 ALA MB 6.500 . 6.500 3.924 3.534 4.174 . 0 0 "[ . 1]" 1 1988 1 125 ILE MG 1 141 LYS HB2 6.500 . 6.500 2.958 2.537 3.817 . 0 0 "[ . 1]" 1 1989 1 125 ILE MG 1 141 LYS HB3 6.500 . 6.500 3.303 2.763 3.854 . 0 0 "[ . 1]" 1 1990 1 126 GLN H 1 127 ALA H 6.500 . 6.500 4.507 4.388 4.584 . 0 0 "[ . 1]" 1 1991 1 126 GLN HA 1 127 ALA H 5.500 . 5.500 2.151 2.079 2.200 . 0 0 "[ . 1]" 1 1992 1 126 GLN HB2 1 127 ALA H 6.500 . 6.500 3.939 3.802 4.084 . 0 0 "[ . 1]" 1 1993 1 126 GLN HB2 1 128 THR HA 6.500 . 6.500 6.524 6.466 6.575 0.075 10 0 "[ . 1]" 1 1994 1 126 GLN HB3 1 127 ALA H 6.500 . 6.500 4.160 4.028 4.277 . 0 0 "[ . 1]" 1 1995 1 126 GLN HB3 1 128 THR HA 6.500 . 6.500 6.106 5.925 6.256 . 0 0 "[ . 1]" 1 1996 1 126 GLN HG2 1 127 ALA H 6.500 . 6.500 2.877 2.541 3.172 . 0 0 "[ . 1]" 1 1997 1 126 GLN HG2 1 128 THR H 6.500 . 6.500 3.849 3.531 4.746 . 0 0 "[ . 1]" 1 1998 1 126 GLN HG2 1 128 THR HA 6.500 . 6.500 3.689 3.577 3.922 . 0 0 "[ . 1]" 1 1999 1 126 GLN HG2 1 128 THR HB 6.500 . 6.500 5.417 5.170 6.001 . 0 0 "[ . 1]" 1 2000 1 126 GLN HG2 1 128 THR MG 6.500 . 6.500 3.130 2.639 4.470 . 0 0 "[ . 1]" 1 2001 1 126 GLN HG3 1 127 ALA H 6.500 . 6.500 2.977 2.648 4.163 . 0 0 "[ . 1]" 1 2002 1 126 GLN HG3 1 128 THR H 6.500 . 6.500 5.248 4.793 6.202 . 0 0 "[ . 1]" 1 2003 1 126 GLN HG3 1 128 THR HA 6.500 . 6.500 4.472 4.225 4.875 . 0 0 "[ . 1]" 1 2004 1 126 GLN HG3 1 128 THR HB 6.500 . 6.500 6.537 6.353 6.705 0.205 2 0 "[ . 1]" 1 2005 1 126 GLN HG3 1 128 THR MG 6.500 . 6.500 4.233 3.862 5.067 . 0 0 "[ . 1]" 1 2006 1 127 ALA H 1 128 THR H 6.500 . 6.500 4.273 4.174 4.503 . 0 0 "[ . 1]" 1 2007 1 127 ALA HA 1 128 THR H 6.500 . 6.500 2.165 2.143 2.248 . 0 0 "[ . 1]" 1 2008 1 127 ALA HA 1 128 THR MG 6.500 . 6.500 3.907 3.360 5.370 . 0 0 "[ . 1]" 1 2009 1 127 ALA HA 1 129 ASP H 6.500 . 6.500 4.115 3.549 4.886 . 0 0 "[ . 1]" 1 2010 1 127 ALA HA 1 132 GLU HA 6.500 . 6.500 5.106 4.706 5.766 . 0 0 "[ . 1]" 1 2011 1 127 ALA HA 1 132 GLU HB2 5.500 . 5.500 2.832 2.397 3.223 . 0 0 "[ . 1]" 1 2012 1 127 ALA HA 1 132 GLU HB3 5.500 . 5.500 2.832 2.364 3.848 . 0 0 "[ . 1]" 1 2013 1 127 ALA HA 1 132 GLU HG2 6.500 . 6.500 4.729 4.129 5.232 . 0 0 "[ . 1]" 1 2014 1 127 ALA HA 1 132 GLU HG3 5.500 . 5.500 3.649 2.778 4.382 . 0 0 "[ . 1]" 1 2015 1 127 ALA HA 1 133 ALA H 6.500 . 6.500 5.469 4.637 6.244 . 0 0 "[ . 1]" 1 2016 1 127 ALA HA 1 133 ALA HA 6.500 . 6.500 5.399 4.926 6.407 . 0 0 "[ . 1]" 1 2017 1 127 ALA HA 1 133 ALA MB 6.500 . 6.500 4.523 3.686 5.330 . 0 0 "[ . 1]" 1 2018 1 127 ALA HA 1 138 VAL QG 6.500 . 6.500 6.744 6.217 7.512 1.012 2 1 "[ + . 1]" 1 2019 1 127 ALA MB 1 128 THR H 6.500 . 6.500 3.251 2.906 3.321 . 0 0 "[ . 1]" 1 2020 1 127 ALA MB 1 129 ASP H 6.500 . 6.500 3.673 2.817 4.682 . 0 0 "[ . 1]" 1 2021 1 127 ALA MB 1 132 GLU H 6.500 . 6.500 4.119 3.718 4.517 . 0 0 "[ . 1]" 1 2022 1 127 ALA MB 1 132 GLU HA 6.500 . 6.500 4.398 4.066 5.365 . 0 0 "[ . 1]" 1 2023 1 127 ALA MB 1 132 GLU HB2 6.500 . 6.500 2.525 2.096 3.280 . 0 0 "[ . 1]" 1 2024 1 127 ALA MB 1 132 GLU HB3 6.500 . 6.500 3.111 2.471 4.384 . 0 0 "[ . 1]" 1 2025 1 127 ALA MB 1 133 ALA H 6.500 . 6.500 3.532 3.023 4.259 . 0 0 "[ . 1]" 1 2026 1 127 ALA MB 1 133 ALA HA 6.500 . 6.500 3.132 2.651 3.933 . 0 0 "[ . 1]" 1 2027 1 127 ALA MB 1 133 ALA MB 6.500 . 6.500 2.205 1.749 2.923 . 0 0 "[ . 1]" 1 2028 1 128 THR H 1 129 ASP H 6.500 . 6.500 2.643 2.377 2.987 . 0 0 "[ . 1]" 1 2029 1 128 THR H 1 132 GLU HB2 6.500 . 6.500 2.673 2.220 2.969 . 0 0 "[ . 1]" 1 2030 1 128 THR H 1 132 GLU HB3 6.500 . 6.500 3.369 2.880 3.920 . 0 0 "[ . 1]" 1 2031 1 128 THR H 1 132 GLU HG2 6.500 . 6.500 3.685 3.234 3.955 . 0 0 "[ . 1]" 1 2032 1 128 THR H 1 132 GLU HG3 6.500 . 6.500 2.596 2.071 3.228 . 0 0 "[ . 1]" 1 2033 1 128 THR HB 1 129 ASP H 6.500 . 6.500 3.460 1.751 4.198 . 0 0 "[ . 1]" 1 2034 1 128 THR MG 1 129 ASP H 6.500 . 6.500 3.896 3.190 4.219 . 0 0 "[ . 1]" 1 2035 1 128 THR MG 1 131 SER QB 6.500 . 6.500 6.548 6.407 6.650 0.150 10 0 "[ . 1]" 1 2036 1 129 ASP H 1 130 LEU H 6.500 . 6.500 4.392 4.307 4.579 . 0 0 "[ . 1]" 1 2037 1 129 ASP H 1 132 GLU HB2 6.500 . 6.500 2.803 2.293 3.281 . 0 0 "[ . 1]" 1 2038 1 129 ASP H 1 132 GLU HB3 6.500 . 6.500 4.345 3.936 4.674 . 0 0 "[ . 1]" 1 2039 1 129 ASP H 1 132 GLU HG2 6.500 . 6.500 3.157 2.227 3.858 . 0 0 "[ . 1]" 1 2040 1 129 ASP H 1 132 GLU HG3 6.500 . 6.500 3.370 2.399 4.418 . 0 0 "[ . 1]" 1 2041 1 129 ASP HA 1 130 LEU H 5.500 . 5.500 2.600 2.424 2.705 . 0 0 "[ . 1]" 1 2042 1 129 ASP HA 1 131 SER H 6.500 . 6.500 4.373 4.072 4.581 . 0 0 "[ . 1]" 1 2043 1 129 ASP QB 1 130 LEU H 5.500 . 5.500 2.465 1.890 3.256 . 0 0 "[ . 1]" 1 2044 1 129 ASP QB 1 131 SER H 6.500 . 6.500 3.103 2.605 3.392 . 0 0 "[ . 1]" 1 2045 1 129 ASP HB2 1 130 LEU H 6.500 . 6.500 2.706 1.898 3.855 . 0 0 "[ . 1]" 1 2046 1 129 ASP HB2 1 131 SER H 6.500 . 6.500 3.732 3.313 4.274 . 0 0 "[ . 1]" 1 2047 1 129 ASP HB3 1 130 LEU H 6.500 . 6.500 3.494 3.396 3.564 . 0 0 "[ . 1]" 1 2048 1 129 ASP HB3 1 131 SER H 6.500 . 6.500 3.797 2.635 4.523 . 0 0 "[ . 1]" 1 2049 1 130 LEU H 1 131 SER H 6.500 . 6.500 2.663 2.571 2.718 . 0 0 "[ . 1]" 1 2050 1 130 LEU H 1 132 GLU H 6.500 . 6.500 4.260 4.152 4.433 . 0 0 "[ . 1]" 1 2051 1 130 LEU HA 1 132 GLU H 6.500 . 6.500 3.995 3.645 4.346 . 0 0 "[ . 1]" 1 2052 1 130 LEU HA 1 133 ALA H 6.500 . 6.500 3.332 3.049 3.580 . 0 0 "[ . 1]" 1 2053 1 130 LEU HA 1 133 ALA MB 6.500 . 6.500 2.754 2.408 2.960 . 0 0 "[ . 1]" 1 2054 1 130 LEU HB2 1 131 SER H 6.500 . 6.500 3.551 2.716 4.047 . 0 0 "[ . 1]" 1 2055 1 130 LEU HB3 1 131 SER H 6.500 . 6.500 3.273 2.763 4.034 . 0 0 "[ . 1]" 1 2056 1 130 LEU QD 1 131 SER H 6.500 . 6.500 4.108 4.018 4.245 . 0 0 "[ . 1]" 1 2057 1 130 LEU QD 1 133 ALA H 6.500 . 6.500 4.326 3.992 4.666 . 0 0 "[ . 1]" 1 2058 1 130 LEU QD 1 133 ALA HA 6.500 . 6.500 5.583 5.098 6.124 . 0 0 "[ . 1]" 1 2059 1 130 LEU QD 1 133 ALA MB 6.500 . 6.500 3.173 2.491 3.524 . 0 0 "[ . 1]" 1 2060 1 130 LEU MD1 1 131 SER H 6.500 . 6.500 4.665 4.566 4.917 . 0 0 "[ . 1]" 1 2061 1 130 LEU MD1 1 133 ALA H 6.500 . 6.500 5.083 4.058 6.422 . 0 0 "[ . 1]" 1 2062 1 130 LEU MD1 1 133 ALA MB 6.500 . 6.500 3.992 2.499 5.530 . 0 0 "[ . 1]" 1 2063 1 130 LEU MD2 1 131 SER H 6.500 . 6.500 4.566 4.453 4.674 . 0 0 "[ . 1]" 1 2064 1 130 LEU MD2 1 133 ALA H 6.500 . 6.500 5.466 4.532 6.170 . 0 0 "[ . 1]" 1 2065 1 130 LEU MD2 1 133 ALA MB 6.500 . 6.500 4.536 3.285 5.610 . 0 0 "[ . 1]" 1 2066 1 130 LEU HG 1 131 SER H 6.500 . 6.500 4.172 3.957 4.458 . 0 0 "[ . 1]" 1 2067 1 131 SER H 1 132 GLU H 6.500 . 6.500 2.636 2.542 2.790 . 0 0 "[ . 1]" 1 2068 1 131 SER H 1 133 ALA H 6.500 . 6.500 3.993 3.813 4.165 . 0 0 "[ . 1]" 1 2069 1 131 SER HA 1 133 ALA H 6.500 . 6.500 4.092 3.713 4.666 . 0 0 "[ . 1]" 1 2070 1 131 SER HA 1 134 SER H 6.500 . 6.500 4.843 3.548 6.529 0.029 1 0 "[ . 1]" 1 2071 1 131 SER QB 1 133 ALA MB 6.500 . 6.500 5.818 5.564 6.054 . 0 0 "[ . 1]" 1 2072 1 131 SER HB2 1 132 GLU H 6.500 . 6.500 3.334 2.719 4.017 . 0 0 "[ . 1]" 1 2073 1 131 SER HB3 1 132 GLU H 6.500 . 6.500 3.495 2.661 4.194 . 0 0 "[ . 1]" 1 2074 1 132 GLU H 1 133 ALA H 5.500 . 5.500 2.335 2.105 2.471 . 0 0 "[ . 1]" 1 2075 1 132 GLU H 1 133 ALA MB 6.500 . 6.500 4.011 3.809 4.270 . 0 0 "[ . 1]" 1 2076 1 132 GLU H 1 134 SER H 6.500 . 6.500 4.698 3.785 5.910 . 0 0 "[ . 1]" 1 2077 1 132 GLU HA 1 133 ALA H 5.500 . 5.500 3.358 3.206 3.528 . 0 0 "[ . 1]" 1 2078 1 132 GLU HA 1 134 SER H 6.500 . 6.500 4.241 3.575 5.285 . 0 0 "[ . 1]" 1 2079 1 132 GLU HA 1 137 ALA MB 6.500 . 6.500 3.030 2.404 3.585 . 0 0 "[ . 1]" 1 2080 1 132 GLU HB2 1 133 ALA H 6.500 . 6.500 3.284 2.730 3.667 . 0 0 "[ . 1]" 1 2081 1 132 GLU HB2 1 134 SER H 6.500 . 6.500 5.555 4.803 6.463 . 0 0 "[ . 1]" 1 2082 1 132 GLU HB3 1 133 ALA H 6.500 . 6.500 4.160 3.755 4.419 . 0 0 "[ . 1]" 1 2083 1 132 GLU HB3 1 134 SER H 6.500 . 6.500 5.682 5.249 6.270 . 0 0 "[ . 1]" 1 2084 1 132 GLU HG2 1 133 ALA H 6.500 . 6.500 4.438 4.188 4.722 . 0 0 "[ . 1]" 1 2085 1 132 GLU HG3 1 133 ALA H 6.500 . 6.500 5.378 4.982 5.609 . 0 0 "[ . 1]" 1 2086 1 133 ALA H 1 134 SER H 6.500 . 6.500 2.868 2.023 4.036 . 0 0 "[ . 1]" 1 2087 1 133 ALA H 1 137 ALA MB 6.500 . 6.500 4.195 3.693 4.534 . 0 0 "[ . 1]" 1 2088 1 133 ALA MB 1 134 SER H 6.500 . 6.500 3.412 3.201 3.591 . 0 0 "[ . 1]" 1 2089 1 133 ALA MB 1 138 VAL HA 6.500 . 6.500 6.206 5.652 6.509 0.009 8 0 "[ . 1]" 1 2090 1 133 ALA MB 1 138 VAL HB 6.500 . 6.500 6.569 6.516 6.628 0.128 3 0 "[ . 1]" 1 2091 1 134 SER H 1 135 ARG H 6.500 . 6.500 4.523 4.333 4.658 . 0 0 "[ . 1]" 1 2092 1 134 SER H 1 136 GLU H 6.500 . 6.500 5.038 4.391 5.316 . 0 0 "[ . 1]" 1 2093 1 134 SER H 1 137 ALA H 6.500 . 6.500 3.901 3.156 4.442 . 0 0 "[ . 1]" 1 2094 1 134 SER H 1 137 ALA MB 6.500 . 6.500 2.647 1.885 3.409 . 0 0 "[ . 1]" 1 2095 1 134 SER H 1 138 VAL HB 6.500 . 6.500 5.865 4.773 6.539 0.039 6 0 "[ . 1]" 1 2096 1 134 SER H 1 138 VAL QG 6.500 . 6.500 3.585 2.636 4.214 . 0 0 "[ . 1]" 1 2097 1 134 SER HA 1 135 ARG H 5.500 . 5.500 2.357 2.217 2.505 . 0 0 "[ . 1]" 1 2098 1 134 SER HA 1 136 GLU H 6.500 . 6.500 4.191 3.844 4.737 . 0 0 "[ . 1]" 1 2099 1 134 SER HA 1 137 ALA H 6.500 . 6.500 4.628 4.441 5.073 . 0 0 "[ . 1]" 1 2100 1 134 SER QB 1 136 GLU QB 5.500 . 5.500 3.302 2.866 4.036 . 0 0 "[ . 1]" 1 2101 1 135 ARG H 1 135 ARG HD2 6.500 . 6.500 3.849 2.638 5.945 . 0 0 "[ . 1]" 1 2102 1 135 ARG H 1 135 ARG HD3 6.500 . 6.500 2.672 1.232 4.869 . 0 0 "[ . 1]" 1 2103 1 135 ARG H 1 136 GLU H 6.500 . 6.500 2.701 2.602 2.838 . 0 0 "[ . 1]" 1 2104 1 135 ARG H 1 136 GLU HA 6.500 . 6.500 5.296 5.226 5.414 . 0 0 "[ . 1]" 1 2105 1 135 ARG H 1 136 GLU HB2 6.500 . 6.500 4.986 4.586 5.282 . 0 0 "[ . 1]" 1 2106 1 135 ARG H 1 136 GLU HB3 6.500 . 6.500 5.128 4.798 6.262 . 0 0 "[ . 1]" 1 2107 1 135 ARG H 1 137 ALA H 6.500 . 6.500 4.278 3.892 4.720 . 0 0 "[ . 1]" 1 2108 1 135 ARG H 1 138 VAL QG 6.500 . 6.500 4.046 3.744 4.412 . 0 0 "[ . 1]" 1 2109 1 135 ARG HA 1 137 ALA H 6.500 . 6.500 4.361 4.108 4.708 . 0 0 "[ . 1]" 1 2110 1 135 ARG HA 1 138 VAL H 6.500 . 6.500 3.345 2.857 4.119 . 0 0 "[ . 1]" 1 2111 1 135 ARG HA 1 138 VAL HA 6.500 . 6.500 5.107 4.397 6.163 . 0 0 "[ . 1]" 1 2112 1 135 ARG HA 1 139 GLU H 6.500 . 6.500 4.539 3.765 5.740 . 0 0 "[ . 1]" 1 2113 1 135 ARG HB2 1 136 GLU H 6.500 . 6.500 3.903 2.604 4.261 . 0 0 "[ . 1]" 1 2114 1 135 ARG HB3 1 136 GLU H 6.500 . 6.500 3.926 2.573 4.368 . 0 0 "[ . 1]" 1 2115 1 135 ARG HD2 1 136 GLU H 6.500 . 6.500 5.023 3.949 5.637 . 0 0 "[ . 1]" 1 2116 1 135 ARG HD3 1 136 GLU H 6.500 . 6.500 4.072 2.363 5.248 . 0 0 "[ . 1]" 1 2117 1 135 ARG HG2 1 136 GLU H 6.500 . 6.500 2.713 2.317 3.624 . 0 0 "[ . 1]" 1 2118 1 135 ARG HG3 1 136 GLU H 6.500 . 6.500 3.988 2.999 4.748 . 0 0 "[ . 1]" 1 2119 1 136 GLU H 1 137 ALA H 6.500 . 6.500 2.546 2.367 2.687 . 0 0 "[ . 1]" 1 2120 1 136 GLU H 1 138 VAL H 6.500 . 6.500 3.785 3.580 4.086 . 0 0 "[ . 1]" 1 2121 1 136 GLU HA 1 138 VAL H 6.500 . 6.500 4.127 3.910 4.290 . 0 0 "[ . 1]" 1 2122 1 136 GLU HA 1 139 GLU H 6.500 . 6.500 3.691 3.272 4.288 . 0 0 "[ . 1]" 1 2123 1 136 GLU HA 1 140 GLU H 6.500 . 6.500 5.137 4.285 5.742 . 0 0 "[ . 1]" 1 2124 1 136 GLU QB 1 137 ALA H 5.500 . 5.500 2.566 2.330 2.838 . 0 0 "[ . 1]" 1 2125 1 136 GLU QB 1 139 GLU H 6.500 . 6.500 5.142 4.874 5.532 . 0 0 "[ . 1]" 1 2126 1 136 GLU HB2 1 137 ALA H 6.500 . 6.500 3.724 2.799 4.023 . 0 0 "[ . 1]" 1 2127 1 136 GLU HB3 1 137 ALA H 6.500 . 6.500 2.706 2.355 3.764 . 0 0 "[ . 1]" 1 2128 1 136 GLU QG 1 137 ALA H 6.500 . 6.500 3.755 3.398 4.129 . 0 0 "[ . 1]" 1 2129 1 136 GLU HG2 1 137 ALA H 6.500 . 6.500 3.993 3.499 5.079 . 0 0 "[ . 1]" 1 2130 1 136 GLU HG3 1 137 ALA H 6.500 . 6.500 4.751 4.371 4.981 . 0 0 "[ . 1]" 1 2131 1 137 ALA H 1 138 VAL H 5.500 . 5.500 2.459 2.310 2.605 . 0 0 "[ . 1]" 1 2132 1 137 ALA H 1 139 GLU H 6.500 . 6.500 4.227 3.843 4.630 . 0 0 "[ . 1]" 1 2133 1 137 ALA H 1 140 GLU H 6.500 . 6.500 5.253 4.700 5.515 . 0 0 "[ . 1]" 1 2134 1 137 ALA HA 1 139 GLU H 6.500 . 6.500 4.147 3.785 4.462 . 0 0 "[ . 1]" 1 2135 1 137 ALA HA 1 140 GLU H 5.500 . 5.500 3.492 3.138 3.776 . 0 0 "[ . 1]" 1 2136 1 137 ALA HA 1 141 LYS H 6.500 . 6.500 4.771 4.133 5.310 . 0 0 "[ . 1]" 1 2137 1 137 ALA MB 1 138 VAL H 6.500 . 6.500 2.872 2.678 2.999 . 0 0 "[ . 1]" 1 2138 1 137 ALA MB 1 140 GLU H 6.500 . 6.500 4.647 4.406 4.845 . 0 0 "[ . 1]" 1 2139 1 137 ALA MB 1 140 GLU HB2 6.500 . 6.500 5.655 4.114 6.082 . 0 0 "[ . 1]" 1 2140 1 137 ALA MB 1 140 GLU HB3 6.500 . 6.500 5.396 4.908 5.645 . 0 0 "[ . 1]" 1 2141 1 137 ALA MB 1 140 GLU HG2 6.500 . 6.500 3.762 3.121 5.694 . 0 0 "[ . 1]" 1 2142 1 137 ALA MB 1 140 GLU HG3 6.500 . 6.500 4.162 3.826 4.650 . 0 0 "[ . 1]" 1 2143 1 137 ALA MB 1 141 LYS H 6.500 . 6.500 4.994 4.632 5.538 . 0 0 "[ . 1]" 1 2144 1 138 VAL H 1 139 GLU H 6.500 . 6.500 2.634 2.561 2.706 . 0 0 "[ . 1]" 1 2145 1 138 VAL H 1 140 GLU H 6.500 . 6.500 4.295 3.878 4.661 . 0 0 "[ . 1]" 1 2146 1 138 VAL HA 1 140 GLU H 6.500 . 6.500 4.394 4.207 4.620 . 0 0 "[ . 1]" 1 2147 1 138 VAL HA 1 141 LYS H 6.500 . 6.500 3.810 3.574 4.429 . 0 0 "[ . 1]" 1 2148 1 138 VAL HA 1 142 LEU H 6.500 . 6.500 4.625 4.174 5.462 . 0 0 "[ . 1]" 1 2149 1 138 VAL HA 1 142 LEU QD 6.500 . 6.500 4.183 3.959 4.492 . 0 0 "[ . 1]" 1 2150 1 138 VAL HB 1 139 GLU H 6.500 . 6.500 2.833 2.716 2.964 . 0 0 "[ . 1]" 1 2151 1 138 VAL HB 1 141 LYS H 6.500 . 6.500 5.948 5.755 6.269 . 0 0 "[ . 1]" 1 2152 1 138 VAL QG 1 139 GLU H 6.500 . 6.500 3.204 3.104 3.296 . 0 0 "[ . 1]" 1 2153 1 138 VAL QG 1 142 LEU QB 6.500 . 6.500 3.443 2.624 4.363 . 0 0 "[ . 1]" 1 2154 1 138 VAL MG1 1 142 LEU HG 6.500 . 6.500 3.985 3.743 4.542 . 0 0 "[ . 1]" 1 2155 1 138 VAL MG2 1 142 LEU HG 6.500 . 6.500 6.263 6.075 6.562 0.062 3 0 "[ . 1]" 1 2156 1 139 GLU H 1 140 GLU H 6.500 . 6.500 2.727 2.451 3.000 . 0 0 "[ . 1]" 1 2157 1 139 GLU H 1 141 LYS H 6.500 . 6.500 4.350 4.158 4.523 . 0 0 "[ . 1]" 1 2158 1 139 GLU HA 1 140 GLU H 5.500 . 5.500 3.534 3.476 3.588 . 0 0 "[ . 1]" 1 2159 1 139 GLU HA 1 141 LYS H 6.500 . 6.500 4.359 4.030 4.618 . 0 0 "[ . 1]" 1 2160 1 139 GLU HA 1 142 LEU H 6.500 . 6.500 3.526 3.332 3.741 . 0 0 "[ . 1]" 1 2161 1 139 GLU HA 1 143 ARG H 6.500 . 6.500 3.990 3.840 4.277 . 0 0 "[ . 1]" 1 2162 1 139 GLU HB2 1 140 GLU H 6.500 . 6.500 3.949 3.744 4.229 . 0 0 "[ . 1]" 1 2163 1 139 GLU HB3 1 140 GLU H 6.500 . 6.500 3.431 2.308 4.204 . 0 0 "[ . 1]" 1 2164 1 139 GLU HG2 1 140 GLU H 6.500 . 6.500 3.650 2.999 4.256 . 0 0 "[ . 1]" 1 2165 1 139 GLU HG3 1 140 GLU H 6.500 . 6.500 2.782 2.309 3.376 . 0 0 "[ . 1]" 1 2166 1 140 GLU H 1 141 LYS H 5.500 . 5.500 2.669 2.562 2.834 . 0 0 "[ . 1]" 1 2167 1 140 GLU H 1 142 LEU H 6.500 . 6.500 4.069 3.866 4.248 . 0 0 "[ . 1]" 1 2168 1 140 GLU HA 1 142 LEU H 6.500 . 6.500 4.205 4.005 4.398 . 0 0 "[ . 1]" 1 2169 1 140 GLU HA 1 143 ARG H 6.500 . 6.500 3.520 3.202 3.892 . 0 0 "[ . 1]" 1 2170 1 140 GLU HA 1 143 ARG HD2 6.500 . 6.500 3.318 2.854 4.376 . 0 0 "[ . 1]" 1 2171 1 140 GLU HA 1 143 ARG HD3 6.500 . 6.500 2.992 1.860 3.941 . 0 0 "[ . 1]" 1 2172 1 140 GLU HA 1 144 ALA H 6.500 . 6.500 4.210 3.755 4.434 . 0 0 "[ . 1]" 1 2173 1 140 GLU HB2 1 141 LYS H 6.500 . 6.500 3.763 2.619 4.108 . 0 0 "[ . 1]" 1 2174 1 140 GLU HB2 1 142 LEU H 6.500 . 6.500 5.531 4.855 5.825 . 0 0 "[ . 1]" 1 2175 1 140 GLU HB2 1 143 ARG H 6.500 . 6.500 5.565 5.284 6.021 . 0 0 "[ . 1]" 1 2176 1 140 GLU HB2 1 144 ALA H 6.500 . 6.500 5.493 4.888 6.009 . 0 0 "[ . 1]" 1 2177 1 140 GLU HB3 1 141 LYS H 6.500 . 6.500 4.130 3.673 4.337 . 0 0 "[ . 1]" 1 2178 1 140 GLU HB3 1 142 LEU H 6.500 . 6.500 5.804 5.394 6.004 . 0 0 "[ . 1]" 1 2179 1 140 GLU HB3 1 143 ARG H 6.500 . 6.500 5.751 5.556 6.134 . 0 0 "[ . 1]" 1 2180 1 140 GLU HB3 1 144 ALA H 6.500 . 6.500 6.244 5.414 6.554 0.054 9 0 "[ . 1]" 1 2181 1 140 GLU HG2 1 141 LYS H 6.500 . 6.500 3.215 2.706 4.947 . 0 0 "[ . 1]" 1 2182 1 140 GLU HG2 1 143 ARG H 6.500 . 6.500 6.176 6.006 6.466 . 0 0 "[ . 1]" 1 2183 1 140 GLU HG3 1 141 LYS H 6.500 . 6.500 2.788 2.310 4.277 . 0 0 "[ . 1]" 1 2184 1 140 GLU HG3 1 143 ARG H 6.500 . 6.500 6.027 5.665 6.526 0.026 8 0 "[ . 1]" 1 2185 1 141 LYS H 1 141 LYS HD2 6.500 . 6.500 4.194 3.433 4.781 . 0 0 "[ . 1]" 1 2186 1 141 LYS H 1 141 LYS HD3 6.500 . 6.500 4.478 4.081 4.823 . 0 0 "[ . 1]" 1 2187 1 141 LYS H 1 141 LYS HE2 6.500 . 6.500 4.706 4.080 5.161 . 0 0 "[ . 1]" 1 2188 1 141 LYS H 1 141 LYS HE3 6.500 . 6.500 4.540 4.062 4.966 . 0 0 "[ . 1]" 1 2189 1 141 LYS H 1 141 LYS HG2 5.500 . 5.500 2.702 1.885 3.324 . 0 0 "[ . 1]" 1 2190 1 141 LYS H 1 141 LYS HG3 5.500 . 5.500 2.255 1.677 3.002 . 0 0 "[ . 1]" 1 2191 1 141 LYS H 1 142 LEU H 5.500 . 5.500 2.476 2.311 2.583 . 0 0 "[ . 1]" 1 2192 1 141 LYS H 1 143 ARG H 6.500 . 6.500 4.079 3.817 4.270 . 0 0 "[ . 1]" 1 2193 1 141 LYS HA 1 143 ARG H 6.500 . 6.500 4.476 4.232 4.719 . 0 0 "[ . 1]" 1 2194 1 141 LYS HA 1 144 ALA H 5.500 . 5.500 3.639 3.312 4.044 . 0 0 "[ . 1]" 1 2195 1 141 LYS HA 1 144 ALA MB 5.500 . 5.500 2.815 2.471 3.353 . 0 0 "[ . 1]" 1 2196 1 141 LYS HA 1 145 THR H 6.500 . 6.500 5.243 4.728 6.301 . 0 0 "[ . 1]" 1 2197 1 141 LYS HB2 1 144 ALA MB 6.500 . 6.500 4.573 4.124 5.280 . 0 0 "[ . 1]" 1 2198 1 141 LYS HB3 1 144 ALA MB 6.500 . 6.500 4.660 4.273 5.087 . 0 0 "[ . 1]" 1 2199 1 141 LYS HD2 1 142 LEU H 6.500 . 6.500 3.988 2.582 4.929 . 0 0 "[ . 1]" 1 2200 1 141 LYS HD3 1 142 LEU H 6.500 . 6.500 4.948 4.147 5.689 . 0 0 "[ . 1]" 1 2201 1 141 LYS HE2 1 142 LEU H 6.500 . 6.500 5.492 4.815 6.592 0.092 9 0 "[ . 1]" 1 2202 1 141 LYS HE3 1 142 LEU H 6.500 . 6.500 4.751 4.077 6.152 . 0 0 "[ . 1]" 1 2203 1 142 LEU H 1 143 ARG H 6.500 . 6.500 2.449 2.365 2.588 . 0 0 "[ . 1]" 1 2204 1 142 LEU H 1 144 ALA H 6.500 . 6.500 3.792 3.648 3.966 . 0 0 "[ . 1]" 1 2205 1 142 LEU HA 1 144 ALA H 6.500 . 6.500 3.980 3.824 4.315 . 0 0 "[ . 1]" 1 2206 1 142 LEU HA 1 145 THR H 6.500 . 6.500 3.774 3.381 4.207 . 0 0 "[ . 1]" 1 2207 1 142 LEU QB 1 143 ARG H 6.500 . 6.500 3.531 3.441 3.620 . 0 0 "[ . 1]" 1 2208 1 142 LEU HB2 1 143 ARG H 6.500 . 6.500 3.918 3.818 4.101 . 0 0 "[ . 1]" 1 2209 1 142 LEU HB3 1 143 ARG H 6.500 . 6.500 4.019 3.872 4.134 . 0 0 "[ . 1]" 1 2210 1 142 LEU MD1 1 143 ARG H 6.500 . 6.500 2.519 2.306 2.771 . 0 0 "[ . 1]" 1 2211 1 142 LEU MD2 1 143 ARG H 6.500 . 6.500 4.029 3.792 4.240 . 0 0 "[ . 1]" 1 2212 1 142 LEU HG 1 143 ARG H 6.500 . 6.500 2.377 2.062 2.661 . 0 0 "[ . 1]" 1 2213 1 143 ARG H 1 143 ARG HD2 6.500 . 6.500 4.175 3.094 4.802 . 0 0 "[ . 1]" 1 2214 1 143 ARG H 1 143 ARG HD3 6.500 . 6.500 4.318 3.870 4.744 . 0 0 "[ . 1]" 1 2215 1 143 ARG H 1 144 ALA H 5.500 . 5.500 2.471 2.315 2.579 . 0 0 "[ . 1]" 1 2216 1 143 ARG H 1 145 THR H 6.500 . 6.500 4.084 3.919 4.275 . 0 0 "[ . 1]" 1 2217 1 143 ARG HB2 1 144 ALA H 6.500 . 6.500 4.110 3.942 4.259 . 0 0 "[ . 1]" 1 2218 1 143 ARG HB2 1 146 ASP H 6.500 . 6.500 4.754 4.514 5.125 . 0 0 "[ . 1]" 1 2219 1 143 ARG HB3 1 144 ALA H 6.500 . 6.500 4.162 3.971 4.399 . 0 0 "[ . 1]" 1 2220 1 143 ARG HB3 1 146 ASP H 6.500 . 6.500 5.428 4.947 5.753 . 0 0 "[ . 1]" 1 2221 1 143 ARG HD2 1 144 ALA H 6.500 . 6.500 4.564 2.489 5.437 . 0 0 "[ . 1]" 1 2222 1 143 ARG HD3 1 144 ALA H 6.500 . 6.500 4.610 2.781 5.361 . 0 0 "[ . 1]" 1 2223 1 143 ARG HG2 1 144 ALA H 6.500 . 6.500 3.449 2.758 4.648 . 0 0 "[ . 1]" 1 2224 1 143 ARG HG3 1 144 ALA H 6.500 . 6.500 2.995 2.221 3.348 . 0 0 "[ . 1]" 1 2225 1 144 ALA H 1 145 THR H 6.500 . 6.500 2.550 2.381 2.718 . 0 0 "[ . 1]" 1 2226 1 144 ALA H 1 146 ASP H 6.500 . 6.500 4.023 3.898 4.186 . 0 0 "[ . 1]" 1 2227 1 144 ALA HA 1 145 THR H 5.500 . 5.500 3.392 3.311 3.476 . 0 0 "[ . 1]" 1 2228 1 144 ALA HA 1 145 THR HA 6.500 . 6.500 4.582 4.496 4.716 . 0 0 "[ . 1]" 1 2229 1 144 ALA HA 1 145 THR HB 6.500 . 6.500 5.983 5.569 6.535 0.035 9 0 "[ . 1]" 1 2230 1 144 ALA HA 1 145 THR MG 6.500 . 6.500 5.577 4.657 6.119 . 0 0 "[ . 1]" 1 2231 1 144 ALA HA 1 146 ASP H 6.500 . 6.500 3.963 3.475 4.529 . 0 0 "[ . 1]" 1 2232 1 144 ALA MB 1 145 THR H 6.500 . 6.500 3.019 2.778 3.239 . 0 0 "[ . 1]" 1 2233 1 144 ALA MB 1 145 THR HA 6.500 . 6.500 4.070 3.951 4.164 . 0 0 "[ . 1]" 1 2234 1 144 ALA MB 1 145 THR HB 6.500 . 6.500 4.787 3.792 5.332 . 0 0 "[ . 1]" 1 2235 1 144 ALA MB 1 146 ASP H 6.500 . 6.500 4.497 4.277 4.741 . 0 0 "[ . 1]" 1 2236 1 145 THR H 1 146 ASP H 6.500 . 6.500 2.245 1.994 2.498 . 0 0 "[ . 1]" 1 2237 1 145 THR H 1 146 ASP HB2 6.500 . 6.500 4.078 3.642 4.665 . 0 0 "[ . 1]" 1 2238 1 145 THR H 1 146 ASP HB3 6.500 . 6.500 5.268 4.333 5.960 . 0 0 "[ . 1]" 1 2239 1 145 THR HA 1 146 ASP HA 6.500 . 6.500 4.619 4.438 4.759 . 0 0 "[ . 1]" 1 2240 1 145 THR HB 1 146 ASP H 6.500 . 6.500 3.672 2.718 4.491 . 0 0 "[ . 1]" 1 2241 1 145 THR MG 1 146 ASP H 6.500 . 6.500 3.957 3.122 4.406 . 0 0 "[ . 1]" 1 2242 1 145 THR MG 1 146 ASP HA 6.500 . 6.500 4.301 3.610 5.505 . 0 0 "[ . 1]" 1 2243 1 146 ASP H 1 147 ARG H 6.500 . 6.500 4.030 2.365 4.621 . 0 0 "[ . 1]" 1 2244 1 146 ASP HA 1 147 ARG H 5.500 . 5.500 2.682 2.095 3.524 . 0 0 "[ . 1]" 1 2245 1 146 ASP HB2 1 147 ARG H 6.500 . 6.500 3.670 2.552 4.475 . 0 0 "[ . 1]" 1 2246 1 146 ASP HB2 1 148 GLN H 6.500 . 6.500 6.122 4.788 6.583 0.083 6 0 "[ . 1]" 1 2247 1 146 ASP HB3 1 147 ARG H 6.500 . 6.500 2.952 2.309 3.771 . 0 0 "[ . 1]" 1 2248 1 146 ASP HB3 1 148 GLN H 6.500 . 6.500 5.186 3.880 6.120 . 0 0 "[ . 1]" 1 2249 1 147 ARG H 1 147 ARG HD2 6.500 . 6.500 4.647 4.079 5.021 . 0 0 "[ . 1]" 1 2250 1 147 ARG H 1 147 ARG HD3 6.500 . 6.500 5.036 4.420 5.575 . 0 0 "[ . 1]" 1 2251 1 147 ARG H 1 148 GLN H 6.500 . 6.500 4.222 3.756 4.527 . 0 0 "[ . 1]" 1 2252 1 147 ARG HA 1 148 GLN H 5.000 . 5.000 2.144 2.098 2.214 . 0 0 "[ . 1]" 1 2253 1 147 ARG QB 1 148 GLN H 6.500 . 6.500 3.451 2.875 3.770 . 0 0 "[ . 1]" 1 2254 1 147 ARG HB2 1 148 GLN H 6.500 . 6.500 4.118 2.941 4.474 . 0 0 "[ . 1]" 1 2255 1 147 ARG HB3 1 148 GLN H 6.500 . 6.500 3.854 3.173 4.380 . 0 0 "[ . 1]" 1 2256 1 147 ARG HG2 1 148 GLN H 6.500 . 6.500 4.253 2.698 5.194 . 0 0 "[ . 1]" 1 2257 1 147 ARG HG3 1 148 GLN H 6.500 . 6.500 4.698 3.168 5.210 . 0 0 "[ . 1]" 1 stop_ save_
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