NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
511209 | 2ktl | 16832 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ktl 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 1338 _Distance_constraint_stats_list.Viol_count 1907 _Distance_constraint_stats_list.Viol_total 3721.004 _Distance_constraint_stats_list.Viol_max 1.449 _Distance_constraint_stats_list.Viol_rms 0.0747 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0193 _Distance_constraint_stats_list.Viol_average_violations_only 0.1626 _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 5 ALA 0.000 0.000 . 0 "[ . 1 ]" 1 6 SER 0.000 0.000 . 0 "[ . 1 ]" 1 7 PRO 0.000 0.000 . 0 "[ . 1 ]" 1 12 SER 0.115 0.030 2 0 "[ . 1 ]" 1 14 LEU 0.424 0.172 7 0 "[ . 1 ]" 1 15 SER 0.000 0.000 . 0 "[ . 1 ]" 1 16 GLY 0.648 0.160 7 0 "[ . 1 ]" 1 17 PHE 0.792 0.172 7 0 "[ . 1 ]" 1 18 VAL 1.854 0.160 7 0 "[ . 1 ]" 1 19 ASN 1.628 0.104 4 0 "[ . 1 ]" 1 21 GLN 0.256 0.066 7 0 "[ . 1 ]" 1 22 SER 0.000 0.000 . 0 "[ . 1 ]" 1 23 GLY 0.170 0.056 4 0 "[ . 1 ]" 1 26 HIS 0.000 0.000 . 0 "[ . 1 ]" 1 27 ALA 0.000 0.000 . 0 "[ . 1 ]" 1 28 PRO 1.094 0.236 4 0 "[ . 1 ]" 1 29 GLN 1.095 0.192 10 0 "[ . 1 ]" 1 30 THR 0.213 0.135 10 0 "[ . 1 ]" 1 31 ASN 3.523 0.387 8 0 "[ . 1 ]" 1 32 PHE 0.327 0.135 10 0 "[ . 1 ]" 1 33 ALA 1.140 0.192 10 0 "[ . 1 ]" 1 34 ASN 0.161 0.161 1 0 "[ . 1 ]" 1 35 MET 0.000 0.000 . 0 "[ . 1 ]" 1 36 PRO 2.198 0.387 8 0 "[ . 1 ]" 1 37 SER 1.317 0.169 11 0 "[ . 1 ]" 1 38 ALA 1.317 0.169 11 0 "[ . 1 ]" 1 39 ARG 5.317 0.388 10 0 "[ . 1 ]" 1 40 VAL 6.290 0.388 10 0 "[ . 1 ]" 1 41 THR 1.153 0.291 7 0 "[ . 1 ]" 1 42 LEU 0.198 0.164 11 0 "[ . 1 ]" 1 43 PRO 0.000 0.000 . 0 "[ . 1 ]" 1 44 LYS 0.348 0.098 8 0 "[ . 1 ]" 1 45 SER 2.005 0.173 7 0 "[ . 1 ]" 1 46 LEU 5.155 0.260 6 0 "[ . 1 ]" 1 47 VAL 4.501 0.336 6 0 "[ . 1 ]" 1 48 TYR 2.674 0.336 6 0 "[ . 1 ]" 1 49 ASP 1.671 0.260 6 0 "[ . 1 ]" 1 50 LYS 9.422 0.405 10 0 "[ . 1 ]" 1 51 THR 9.001 0.334 11 0 "[ . 1 ]" 1 52 PHE 1.660 0.157 3 0 "[ . 1 ]" 1 53 SER 6.002 0.322 9 0 "[ . 1 ]" 1 54 LYS 17.082 0.405 10 0 "[ . 1 ]" 1 55 VAL 4.792 0.309 6 0 "[ . 1 ]" 1 56 LEU 8.213 0.246 9 0 "[ . 1 ]" 1 57 TRP 6.123 0.306 3 0 "[ . 1 ]" 1 58 SER 5.231 0.309 6 0 "[ . 1 ]" 1 59 ALA 10.456 0.356 7 0 "[ . 1 ]" 1 60 GLY 12.869 0.345 1 0 "[ . 1 ]" 1 61 LEU 8.402 0.425 10 0 "[ . 1 ]" 1 62 VAL 11.429 0.425 10 0 "[ . 1 ]" 1 63 ALA 8.915 0.417 7 0 "[ . 1 ]" 1 64 SER 4.565 0.498 5 0 "[ . 1 ]" 1 65 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 66 SER 0.481 0.134 9 0 "[ . 1 ]" 1 67 GLU 11.285 0.498 5 0 "[ . 1 ]" 1 68 GLY 4.157 0.277 9 0 "[ . 1 ]" 1 69 GLN 3.764 0.277 9 0 "[ . 1 ]" 1 70 ARG 6.397 0.224 2 0 "[ . 1 ]" 1 71 ILE 3.894 0.173 1 0 "[ . 1 ]" 1 72 ILE 5.957 0.179 5 0 "[ . 1 ]" 1 73 ASN 13.559 0.410 11 0 "[ . 1 ]" 1 74 ASN 6.944 0.224 2 0 "[ . 1 ]" 1 75 ASN 0.000 0.000 . 0 "[ . 1 ]" 1 76 GLY 13.243 0.410 11 0 "[ . 1 ]" 1 77 ALA 5.587 0.366 5 0 "[ . 1 ]" 1 78 TYR 6.000 0.406 2 0 "[ . 1 ]" 1 79 VAL 2.940 0.308 9 0 "[ . 1 ]" 1 80 GLY 0.117 0.076 3 0 "[ . 1 ]" 1 81 SER 9.347 0.406 2 0 "[ . 1 ]" 1 82 ARG 2.267 0.295 6 0 "[ . 1 ]" 1 85 VAL 12.799 0.860 4 12 [***+*-******] 1 86 LYS 12.763 0.860 4 12 [***+*-******] 1 87 LYS 4.040 0.337 5 0 "[ . 1 ]" 1 88 ASN 4.231 0.439 8 0 "[ . 1 ]" 1 89 GLU 5.054 0.439 8 0 "[ . 1 ]" 1 95 PRO 0.329 0.136 8 0 "[ . 1 ]" 1 96 ASP 3.793 0.274 8 0 "[ . 1 ]" 1 97 ASP 3.341 0.274 8 0 "[ . 1 ]" 1 98 LEU 2.458 0.233 3 0 "[ . 1 ]" 1 99 THR 1.559 0.220 4 0 "[ . 1 ]" 1 100 PHE 0.721 0.135 9 0 "[ . 1 ]" 1 101 THR 0.572 0.220 4 0 "[ . 1 ]" 1 102 PRO 0.275 0.130 4 0 "[ . 1 ]" 1 103 ILE 5.697 0.474 3 0 "[ . 1 ]" 1 104 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 105 THR 10.735 0.591 2 12 [*+-*********] 1 106 TRP 9.571 0.591 2 12 [*+-*********] 1 107 ASN 0.557 0.226 12 0 "[ . 1 ]" 1 108 ALA 6.928 0.339 2 0 "[ . 1 ]" 1 109 SER 2.563 0.197 7 0 "[ . 1 ]" 1 110 LYS 5.499 0.326 7 0 "[ . 1 ]" 1 111 THR 15.241 0.392 3 0 "[ . 1 ]" 1 112 GLN 0.000 0.000 . 0 "[ . 1 ]" 1 113 GLU 8.331 0.351 8 0 "[ . 1 ]" 1 114 PHE 12.642 0.592 8 1 "[ . + 1 ]" 1 115 ILE 15.879 0.890 2 3 "[ +* . - 1 ]" 1 116 ILE 23.546 1.449 9 12 [**-*****+***] 1 117 ASP 3.310 0.498 9 0 "[ . 1 ]" 1 118 GLY 2.552 0.890 2 2 "[ +- . 1 ]" 1 119 ASP 2.673 0.277 5 0 "[ . 1 ]" 1 120 LEU 20.790 1.449 9 12 [**-*****+***] 1 121 LEU 2.842 0.277 5 0 "[ . 1 ]" 1 122 ILE 11.892 0.444 9 0 "[ . 1 ]" 1 123 LEU 0.177 0.118 6 0 "[ . 1 ]" 1 124 LYS 6.768 0.329 7 0 "[ . 1 ]" 1 125 LEU 3.900 0.323 8 0 "[ . 1 ]" 1 126 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 127 LYS 4.983 0.313 6 0 "[ . 1 ]" 1 128 TRP 4.349 0.294 4 0 "[ . 1 ]" 1 129 LYS 13.252 0.491 6 0 "[ . 1 ]" 1 130 MET 10.853 0.387 9 0 "[ . 1 ]" 1 131 LYS 12.567 0.491 6 0 "[ . 1 ]" 1 132 LEU 3.976 0.313 10 0 "[ . 1 ]" 1 133 VAL 4.452 0.387 9 0 "[ . 1 ]" 1 134 SER 0.016 0.016 12 0 "[ . 1 ]" 1 135 ILE 0.591 0.233 3 0 "[ . 1 ]" 1 136 VAL 0.606 0.125 7 0 "[ . 1 ]" 1 137 SER 0.545 0.122 11 0 "[ . 1 ]" 1 138 ASP 3.018 0.345 4 0 "[ . 1 ]" 1 139 GLU 0.017 0.012 4 0 "[ . 1 ]" 1 140 LYS 4.309 0.345 4 0 "[ . 1 ]" 1 141 PHE 1.575 0.172 9 0 "[ . 1 ]" 1 142 LYS 3.187 0.381 5 0 "[ . 1 ]" 1 143 GLU 0.993 0.220 12 0 "[ . 1 ]" 1 144 LEU 2.435 0.381 5 0 "[ . 1 ]" 1 145 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 146 LEU 2.985 0.186 7 0 "[ . 1 ]" 1 147 THR 5.514 0.448 1 0 "[ . 1 ]" 1 148 ALA 1.031 0.242 9 0 "[ . 1 ]" 1 149 PRO 0.685 0.117 1 0 "[ . 1 ]" 1 150 GLY 1.074 0.279 4 0 "[ . 1 ]" 1 151 TRP 11.928 0.448 1 0 "[ . 1 ]" 1 152 ASP 10.415 0.321 9 0 "[ . 1 ]" 1 153 GLU 2.600 0.236 1 0 "[ . 1 ]" 1 154 VAL 5.411 0.359 4 0 "[ . 1 ]" 1 155 VAL 8.864 0.359 4 0 "[ . 1 ]" 1 156 GLY 1.979 0.236 5 0 "[ . 1 ]" 1 157 LYS 2.693 0.222 2 0 "[ . 1 ]" 1 158 GLY 0.088 0.051 3 0 "[ . 1 ]" 1 159 LYS 0.017 0.017 1 0 "[ . 1 ]" 1 160 GLU 0.039 0.021 8 0 "[ . 1 ]" 1 163 SER 0.039 0.021 8 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 5 ALA MB 1 6 SER H 5.200 . 5.200 3.113 2.344 3.558 . 0 0 "[ . 1 ]" 1 2 1 6 SER H 1 7 PRO QG 6.500 . 6.500 5.956 5.182 6.183 . 0 0 "[ . 1 ]" 1 3 1 6 SER H 1 7 PRO QB 6.500 . 6.500 6.309 5.947 6.441 . 0 0 "[ . 1 ]" 1 4 1 6 SER H 1 7 PRO QD 6.500 . 6.500 4.264 3.717 4.416 . 0 0 "[ . 1 ]" 1 5 1 12 SER HA 1 14 LEU H 4.500 . 4.500 3.871 3.179 4.514 0.014 11 0 "[ . 1 ]" 1 6 1 12 SER QB 1 14 LEU H 4.500 . 4.500 4.377 3.854 4.530 0.030 2 0 "[ . 1 ]" 1 7 1 14 LEU H 1 17 PHE QB 7.000 . 7.000 6.934 6.627 7.172 0.172 7 0 "[ . 1 ]" 1 8 1 15 SER QB 1 16 GLY H 4.500 . 4.500 3.943 3.838 4.073 . 0 0 "[ . 1 ]" 1 9 1 16 GLY H 1 17 PHE H 4.500 . 4.500 2.585 2.360 2.645 . 0 0 "[ . 1 ]" 1 10 1 16 GLY H 1 18 VAL HB 5.000 . 5.000 5.054 5.028 5.160 0.160 7 0 "[ . 1 ]" 1 11 1 16 GLY QA 1 17 PHE H 4.500 . 4.500 2.755 2.742 2.831 . 0 0 "[ . 1 ]" 1 12 1 17 PHE HA 1 18 VAL H 4.200 . 4.200 2.136 2.131 2.141 . 0 0 "[ . 1 ]" 1 13 1 18 VAL H 1 18 VAL HB 4.200 . 4.200 3.004 2.993 3.009 . 0 0 "[ . 1 ]" 1 14 1 18 VAL H 1 18 VAL QG 4.200 . 4.200 1.939 1.924 1.951 . 0 0 "[ . 1 ]" 1 15 1 18 VAL H 1 19 ASN H . . 4.300 4.170 4.162 4.188 . 0 0 "[ . 1 ]" 1 16 1 17 PHE QB 1 18 VAL H 5.500 . 5.500 3.482 3.356 3.768 . 0 0 "[ . 1 ]" 1 17 1 16 GLY QA 1 18 VAL H 6.500 . 6.500 5.267 5.181 5.436 . 0 0 "[ . 1 ]" 1 18 1 14 LEU QB 1 18 VAL HB 5.500 . 5.500 3.681 1.971 5.144 . 0 0 "[ . 1 ]" 1 19 1 14 LEU HA 1 18 VAL HB 5.500 . 5.500 4.562 3.886 5.521 0.021 7 0 "[ . 1 ]" 1 20 1 17 PHE HA 1 19 ASN H 5.500 . 5.500 5.542 5.528 5.573 0.073 10 0 "[ . 1 ]" 1 21 1 18 VAL HA 1 19 ASN H 4.300 . 4.300 2.136 2.130 2.145 . 0 0 "[ . 1 ]" 1 22 1 18 VAL HB 1 19 ASN H 4.300 . 4.300 4.393 4.384 4.404 0.104 4 0 "[ . 1 ]" 1 23 1 18 VAL QG 1 19 ASN H 4.300 . 4.300 2.934 2.824 3.018 . 0 0 "[ . 1 ]" 1 24 1 21 GLN H 1 21 GLN QG 4.300 . 4.300 3.316 1.976 4.169 . 0 0 "[ . 1 ]" 1 25 1 21 GLN H 1 21 GLN QE 6.500 . 6.500 4.672 2.394 6.282 . 0 0 "[ . 1 ]" 1 26 1 18 VAL QG 1 21 GLN H 7.500 . 7.500 6.351 4.891 7.566 0.066 7 0 "[ . 1 ]" 1 27 1 19 ASN QD 1 21 GLN H 6.500 . 6.500 5.894 4.664 6.509 0.009 8 0 "[ . 1 ]" 1 28 1 21 GLN QB 1 22 SER H 5.500 . 5.500 3.360 2.105 4.048 . 0 0 "[ . 1 ]" 1 29 1 21 GLN QG 1 22 SER H 5.500 . 5.500 3.987 1.942 4.561 . 0 0 "[ . 1 ]" 1 30 1 21 GLN HA 1 22 SER H 5.500 . 5.500 3.144 2.843 3.561 . 0 0 "[ . 1 ]" 1 31 1 21 GLN QG 1 23 GLY H 5.500 . 5.500 5.090 3.140 5.537 0.037 4 0 "[ . 1 ]" 1 32 1 21 GLN HA 1 23 GLY H 5.500 . 5.500 4.323 3.296 5.556 0.056 4 0 "[ . 1 ]" 1 33 1 26 HIS H 1 27 ALA MB 6.000 . 6.000 5.092 3.941 5.888 . 0 0 "[ . 1 ]" 1 34 1 26 HIS H 1 27 ALA H 6.000 . 6.000 4.270 3.714 4.627 . 0 0 "[ . 1 ]" 1 35 1 26 HIS QB 1 27 ALA H 5.500 . 5.500 3.495 2.233 4.020 . 0 0 "[ . 1 ]" 1 36 1 27 ALA HA 1 28 PRO QD 5.500 . 5.500 1.999 1.848 2.303 . 0 0 "[ . 1 ]" 1 37 1 29 GLN H 1 30 THR H 4.300 . 4.300 2.490 1.974 3.049 . 0 0 "[ . 1 ]" 1 38 1 29 GLN H 1 29 GLN QG 4.800 . 4.800 3.605 1.982 4.294 . 0 0 "[ . 1 ]" 1 39 1 29 GLN H 1 30 THR HG1 4.800 . 4.800 4.238 2.944 4.800 . 0 0 "[ . 1 ]" 1 40 1 29 GLN H 1 33 ALA MB 5.800 . 5.800 5.421 3.275 5.992 0.192 10 0 "[ . 1 ]" 1 41 1 30 THR H 1 31 ASN H 5.500 . 5.500 4.116 3.125 4.633 . 0 0 "[ . 1 ]" 1 42 1 29 GLN QG 1 30 THR H 5.500 . 5.500 4.016 1.927 4.546 . 0 0 "[ . 1 ]" 1 43 1 29 GLN HA 1 30 THR H 4.300 . 4.300 3.442 2.942 3.579 . 0 0 "[ . 1 ]" 1 44 1 29 GLN QB 1 30 THR H 5.500 . 5.500 2.596 1.960 3.777 . 0 0 "[ . 1 ]" 1 45 1 28 PRO QB 1 30 THR H 5.500 . 5.500 3.956 3.121 5.505 0.005 10 0 "[ . 1 ]" 1 46 1 30 THR HA 1 31 ASN H 3.800 . 3.800 2.426 2.197 2.500 . 0 0 "[ . 1 ]" 1 47 1 30 THR HG1 1 31 ASN H 5.500 . 5.500 3.166 1.922 3.794 . 0 0 "[ . 1 ]" 1 48 1 28 PRO QB 1 31 ASN H 6.500 . 6.500 6.296 4.716 6.736 0.236 4 0 "[ . 1 ]" 1 49 1 31 ASN H 1 36 PRO QB 7.000 . 7.000 7.183 7.023 7.387 0.387 8 0 "[ . 1 ]" 1 50 1 29 GLN QB 1 31 ASN H 6.000 . 6.000 5.412 3.810 6.082 0.082 9 0 "[ . 1 ]" 1 51 1 32 PHE H 1 33 ALA MB 4.500 . 4.500 4.403 4.071 4.588 0.088 7 0 "[ . 1 ]" 1 52 1 31 ASN HA 1 32 PHE H 3.800 . 3.800 3.436 3.085 3.568 . 0 0 "[ . 1 ]" 1 53 1 31 ASN QB 1 32 PHE H 4.500 . 4.500 2.700 1.955 3.684 . 0 0 "[ . 1 ]" 1 54 1 30 THR HG1 1 32 PHE H 5.500 . 5.500 3.906 1.868 5.635 0.135 10 0 "[ . 1 ]" 1 55 1 32 PHE QB 1 33 ALA H . . 4.500 2.588 2.151 3.241 . 0 0 "[ . 1 ]" 1 56 1 32 PHE HA 1 33 ALA H 3.800 . 3.800 3.544 3.519 3.565 . 0 0 "[ . 1 ]" 1 57 1 29 GLN QB 1 33 ALA H 6.500 . 6.500 5.985 4.670 6.651 0.151 6 0 "[ . 1 ]" 1 58 1 32 PHE QD 1 33 ALA H 6.900 . 6.900 3.936 2.700 4.509 . 0 0 "[ . 1 ]" 1 59 1 32 PHE QE 1 33 ALA H 6.900 . 6.900 5.787 3.556 6.566 . 0 0 "[ . 1 ]" 1 60 1 33 ALA H 1 34 ASN HA 5.500 . 5.500 5.318 5.129 5.661 0.161 1 0 "[ . 1 ]" 1 61 1 33 ALA HA 1 34 ASN H 3.800 . 3.800 3.578 3.529 3.622 . 0 0 "[ . 1 ]" 1 62 1 34 ASN H 1 34 ASN QB 3.800 . 3.800 2.231 2.061 2.788 . 0 0 "[ . 1 ]" 1 63 1 33 ALA MB 1 34 ASN H 4.500 . 4.500 2.486 2.253 2.587 . 0 0 "[ . 1 ]" 1 64 1 32 PHE HA 1 34 ASN H 5.500 . 5.500 4.915 4.600 5.306 . 0 0 "[ . 1 ]" 1 65 1 32 PHE QB 1 34 ASN H 5.500 . 5.500 4.888 4.399 5.331 . 0 0 "[ . 1 ]" 1 66 1 32 PHE QD 1 34 ASN H 7.500 . 7.500 5.949 4.708 6.624 . 0 0 "[ . 1 ]" 1 67 1 34 ASN H 1 35 MET H 4.500 . 4.500 3.058 2.661 3.224 . 0 0 "[ . 1 ]" 1 68 1 34 ASN H 1 35 MET QB 5.500 . 5.500 4.985 4.710 5.339 . 0 0 "[ . 1 ]" 1 69 1 36 PRO HA 1 37 SER H 4.800 . 4.800 3.040 2.833 3.604 . 0 0 "[ . 1 ]" 1 70 1 37 SER H 1 38 ALA MB 5.800 . 5.800 4.759 3.769 5.190 . 0 0 "[ . 1 ]" 1 71 1 35 MET QB 1 37 SER H 5.500 . 5.500 4.366 3.868 4.650 . 0 0 "[ . 1 ]" 1 72 1 37 SER HA 1 38 ALA H 3.800 . 3.800 3.490 2.814 3.605 . 0 0 "[ . 1 ]" 1 73 1 37 SER QB 1 38 ALA H 3.800 . 3.800 2.785 1.984 3.953 0.153 1 0 "[ . 1 ]" 1 74 1 38 ALA H 1 39 ARG QB 5.500 . 5.500 4.858 4.667 5.164 . 0 0 "[ . 1 ]" 1 75 1 37 SER H 1 38 ALA H 6.000 . 6.000 2.877 2.484 3.360 . 0 0 "[ . 1 ]" 1 76 1 37 SER HA 1 38 ALA MB 4.500 . 4.500 4.590 4.446 4.669 0.169 11 0 "[ . 1 ]" 1 77 1 38 ALA MB 1 39 ARG HA 6.500 . 6.500 3.984 3.917 4.039 . 0 0 "[ . 1 ]" 1 78 1 37 SER QB 1 38 ALA MB 7.000 . 7.000 3.410 3.057 4.722 . 0 0 "[ . 1 ]" 1 79 1 39 ARG H 1 39 ARG QD 4.800 . 4.800 4.618 4.415 4.885 0.085 1 0 "[ . 1 ]" 1 80 1 38 ALA MB 1 39 ARG H 4.800 . 4.800 2.970 2.845 3.018 . 0 0 "[ . 1 ]" 1 81 1 38 ALA HA 1 39 ARG H 4.500 . 4.500 2.198 2.164 2.239 . 0 0 "[ . 1 ]" 1 82 1 39 ARG H 1 40 VAL H 4.500 . 4.500 4.271 4.199 4.315 . 0 0 "[ . 1 ]" 1 83 1 39 ARG H 1 40 VAL HA 4.500 . 4.500 4.820 4.771 4.879 0.379 6 0 "[ . 1 ]" 1 84 1 39 ARG H 1 40 VAL HB 6.000 . 6.000 6.022 5.538 6.388 0.388 10 0 "[ . 1 ]" 1 85 1 39 ARG H 1 40 VAL QG 5.500 . 5.500 3.611 3.490 3.713 . 0 0 "[ . 1 ]" 1 86 1 39 ARG HA 1 40 VAL H . . 3.800 2.164 2.145 2.180 . 0 0 "[ . 1 ]" 1 87 1 39 ARG HA 1 40 VAL HA 5.200 . 5.200 4.399 4.384 4.410 . 0 0 "[ . 1 ]" 1 88 1 39 ARG QB 1 40 VAL H 5.500 . 5.500 3.531 3.176 3.694 . 0 0 "[ . 1 ]" 1 89 1 39 ARG QD 1 40 VAL H 5.200 . 5.200 2.636 2.040 3.528 . 0 0 "[ . 1 ]" 1 90 1 39 ARG QD 1 40 VAL HA 5.200 . 5.200 4.409 3.475 5.253 0.053 1 0 "[ . 1 ]" 1 91 1 40 VAL HA 1 41 THR H . . 3.800 2.458 2.439 2.478 . 0 0 "[ . 1 ]" 1 92 1 40 VAL HB 1 41 THR H . . 4.500 3.204 2.369 3.765 . 0 0 "[ . 1 ]" 1 93 1 40 VAL QG 1 41 THR H . . 4.500 2.269 1.804 3.192 . 0 0 "[ . 1 ]" 1 94 1 39 ARG HA 1 40 VAL QG 7.000 . 7.000 3.507 3.253 3.913 . 0 0 "[ . 1 ]" 1 95 1 40 VAL QG 1 42 LEU H . . 6.000 4.308 3.892 4.836 . 0 0 "[ . 1 ]" 1 96 1 41 THR H 1 41 THR HG1 3.800 . 3.800 2.732 2.063 3.315 . 0 0 "[ . 1 ]" 1 97 1 41 THR H 1 41 THR HB 3.800 . 3.800 3.226 2.527 3.841 0.041 12 0 "[ . 1 ]" 1 98 1 40 VAL H 1 41 THR H 5.500 . 5.500 4.467 4.460 4.483 . 0 0 "[ . 1 ]" 1 99 1 41 THR H 1 42 LEU H . . 4.500 4.367 4.319 4.417 . 0 0 "[ . 1 ]" 1 100 1 41 THR HA 1 42 LEU H 3.800 . 3.800 2.151 2.127 2.170 . 0 0 "[ . 1 ]" 1 101 1 40 VAL HB 1 41 THR HA 4.500 . 4.500 4.546 4.219 4.791 0.291 7 0 "[ . 1 ]" 1 102 1 41 THR HA 1 42 LEU HA 6.000 . 6.000 4.417 4.401 4.424 . 0 0 "[ . 1 ]" 1 103 1 41 THR HA 1 42 LEU QD 8.500 . 8.500 4.195 3.696 4.717 . 0 0 "[ . 1 ]" 1 104 1 40 VAL HA 1 41 THR HA 6.000 . 6.000 4.455 4.414 4.491 . 0 0 "[ . 1 ]" 1 105 1 41 THR HG1 1 42 LEU H 3.800 . 3.800 3.185 2.317 3.797 . 0 0 "[ . 1 ]" 1 106 1 42 LEU H 1 42 LEU HG 3.800 . 3.800 3.260 2.464 3.964 0.164 11 0 "[ . 1 ]" 1 107 1 44 LYS H 1 45 SER H 3.800 . 3.800 2.825 2.689 2.894 . 0 0 "[ . 1 ]" 1 108 1 44 LYS H 1 45 SER QB 4.500 . 4.500 4.525 4.455 4.598 0.098 8 0 "[ . 1 ]" 1 109 1 43 PRO QD 1 44 LYS H 6.500 . 6.500 4.869 4.776 4.925 . 0 0 "[ . 1 ]" 1 110 1 42 LEU HG 1 44 LYS HA 7.000 . 7.000 4.128 3.755 4.547 . 0 0 "[ . 1 ]" 1 111 1 44 LYS HA 1 45 SER H . . 5.500 3.491 3.481 3.508 . 0 0 "[ . 1 ]" 1 112 1 44 LYS HA 1 48 TYR QD 9.500 . 9.500 6.185 4.758 7.329 . 0 0 "[ . 1 ]" 1 113 1 44 LYS HA 1 48 TYR QE 9.500 . 9.500 7.256 4.501 9.295 . 0 0 "[ . 1 ]" 1 114 1 44 LYS HA 1 48 TYR H 6.000 . 6.000 5.260 5.101 5.490 . 0 0 "[ . 1 ]" 1 115 1 44 LYS QB 1 45 SER H . . 4.800 2.797 2.771 2.827 . 0 0 "[ . 1 ]" 1 116 1 44 LYS QG 1 48 TYR QD 9.500 . 9.500 5.302 3.437 6.709 . 0 0 "[ . 1 ]" 1 117 1 44 LYS QG 1 48 TYR QE 9.500 . 9.500 5.917 1.973 8.514 . 0 0 "[ . 1 ]" 1 118 1 44 LYS QD 1 48 TYR QD 10.000 . 10.000 5.974 3.356 8.030 . 0 0 "[ . 1 ]" 1 119 1 44 LYS QD 1 48 TYR QE 10.000 . 10.000 6.288 2.423 9.640 . 0 0 "[ . 1 ]" 1 120 1 45 SER H 1 48 TYR QE 8.700 . 8.700 6.798 4.678 8.024 . 0 0 "[ . 1 ]" 1 121 1 45 SER H 1 48 TYR QD 8.500 . 8.500 6.064 5.180 6.429 . 0 0 "[ . 1 ]" 1 122 1 45 SER H 1 48 TYR QB 8.000 . 8.000 6.181 5.796 6.774 . 0 0 "[ . 1 ]" 1 123 1 45 SER H 1 48 TYR H 6.500 . 6.500 5.598 5.478 5.833 . 0 0 "[ . 1 ]" 1 124 1 45 SER H 1 46 LEU QB 5.200 . 5.200 5.120 5.028 5.227 0.027 6 0 "[ . 1 ]" 1 125 1 45 SER H 1 46 LEU HG 4.500 . 4.500 4.630 4.487 4.673 0.173 7 0 "[ . 1 ]" 1 126 1 45 SER QB 1 47 VAL QG 6.000 . 6.000 4.957 4.748 5.146 . 0 0 "[ . 1 ]" 1 127 1 45 SER H 1 46 LEU H 4.500 . 4.500 2.948 2.900 2.984 . 0 0 "[ . 1 ]" 1 128 1 46 LEU H 1 48 TYR H 5.000 . 5.000 4.454 4.421 4.495 . 0 0 "[ . 1 ]" 1 129 1 46 LEU H 1 46 LEU QB 3.800 . 3.800 2.488 2.423 2.662 . 0 0 "[ . 1 ]" 1 130 1 46 LEU H 1 46 LEU HG 4.500 . 4.500 2.342 1.980 2.437 . 0 0 "[ . 1 ]" 1 131 1 46 LEU H 1 47 VAL QG 5.500 . 5.500 3.896 3.403 4.481 . 0 0 "[ . 1 ]" 1 132 1 45 SER HA 1 46 LEU H 4.500 . 4.500 3.581 3.568 3.593 . 0 0 "[ . 1 ]" 1 133 1 46 LEU H 1 49 ASP QB 7.000 . 7.000 6.679 6.485 7.049 0.049 8 0 "[ . 1 ]" 1 134 1 46 LEU H 1 47 VAL HA 5.000 . 5.000 5.093 5.009 5.120 0.120 11 0 "[ . 1 ]" 1 135 1 46 LEU H 1 48 TYR QD 7.500 . 7.500 5.066 4.527 6.000 . 0 0 "[ . 1 ]" 1 136 1 46 LEU H 1 47 VAL HB 5.000 . 5.000 4.850 4.344 5.139 0.139 10 0 "[ . 1 ]" 1 137 1 45 SER H 1 46 LEU HA 5.500 . 5.500 5.488 5.455 5.515 0.015 6 0 "[ . 1 ]" 1 138 1 46 LEU QB 1 47 VAL HA 7.000 . 7.000 4.503 3.984 4.620 . 0 0 "[ . 1 ]" 1 139 1 47 VAL H 1 48 TYR HA 4.800 . 4.800 4.987 4.955 5.136 0.336 6 0 "[ . 1 ]" 1 140 1 47 VAL H 1 48 TYR QD 6.500 . 6.500 3.825 3.454 4.404 . 0 0 "[ . 1 ]" 1 141 1 47 VAL H 1 48 TYR QE 6.500 . 6.500 5.514 4.653 6.380 . 0 0 "[ . 1 ]" 1 142 1 47 VAL H 1 47 VAL HB 3.800 . 3.800 2.483 2.130 2.643 . 0 0 "[ . 1 ]" 1 143 1 44 LYS HA 1 47 VAL H 5.200 . 5.200 3.611 3.399 3.697 . 0 0 "[ . 1 ]" 1 144 1 47 VAL H 1 48 TYR QB 5.200 . 5.200 4.243 4.155 4.640 . 0 0 "[ . 1 ]" 1 145 1 46 LEU HA 1 47 VAL H 5.200 . 5.200 3.353 3.329 3.376 . 0 0 "[ . 1 ]" 1 146 1 45 SER HA 1 47 VAL H 5.200 . 5.200 3.913 3.836 3.973 . 0 0 "[ . 1 ]" 1 147 1 46 LEU QD 1 47 VAL H 6.500 . 6.500 3.429 3.087 3.977 . 0 0 "[ . 1 ]" 1 148 1 47 VAL HB 1 48 TYR H 3.800 . 3.800 3.299 2.899 3.883 0.083 11 0 "[ . 1 ]" 1 149 1 47 VAL HB 1 48 TYR QD 6.000 . 6.000 4.624 2.948 6.029 0.029 6 0 "[ . 1 ]" 1 150 1 47 VAL HB 1 48 TYR QE 8.000 . 8.000 6.323 4.313 8.080 0.080 6 0 "[ . 1 ]" 1 151 1 44 LYS HA 1 47 VAL HB 6.500 . 6.500 3.046 2.256 3.311 . 0 0 "[ . 1 ]" 1 152 1 46 LEU HG 1 47 VAL HB 6.000 . 6.000 4.591 3.671 6.183 0.183 6 0 "[ . 1 ]" 1 153 1 47 VAL QG 1 48 TYR H 4.800 . 4.800 2.871 2.076 3.397 . 0 0 "[ . 1 ]" 1 154 1 47 VAL QG 1 48 TYR QE 6.000 . 6.000 5.089 2.638 6.051 0.051 3 0 "[ . 1 ]" 1 155 1 47 VAL QG 1 48 TYR QD 6.000 . 6.000 3.801 1.952 4.629 . 0 0 "[ . 1 ]" 1 156 1 47 VAL QG 1 48 TYR QB 6.500 . 6.500 4.007 2.937 4.650 . 0 0 "[ . 1 ]" 1 157 1 47 VAL H 1 48 TYR H 3.800 . 3.800 2.444 2.412 2.586 . 0 0 "[ . 1 ]" 1 158 1 48 TYR H 1 48 TYR QE 6.000 . 6.000 4.549 4.021 4.978 . 0 0 "[ . 1 ]" 1 159 1 48 TYR H 1 49 ASP H 4.500 . 4.500 2.914 2.778 2.972 . 0 0 "[ . 1 ]" 1 160 1 46 LEU HG 1 48 TYR H 6.500 . 6.500 5.043 4.885 5.701 . 0 0 "[ . 1 ]" 1 161 1 46 LEU QD 1 48 TYR H 7.500 . 7.500 4.802 4.423 5.256 . 0 0 "[ . 1 ]" 1 162 1 48 TYR QB 1 49 ASP H 5.500 . 5.500 3.310 2.852 3.601 . 0 0 "[ . 1 ]" 1 163 1 47 VAL HB 1 48 TYR QB 6.000 . 6.000 4.960 4.293 6.037 0.037 8 0 "[ . 1 ]" 1 164 1 49 ASP H 1 50 LYS H 3.800 . 3.800 2.912 2.867 2.964 . 0 0 "[ . 1 ]" 1 165 1 47 VAL H 1 49 ASP H 5.500 . 5.500 4.509 4.463 4.537 . 0 0 "[ . 1 ]" 1 166 1 48 TYR QE 1 49 ASP H 8.000 . 8.000 4.838 3.408 6.748 . 0 0 "[ . 1 ]" 1 167 1 48 TYR QD 1 49 ASP H 8.500 . 8.500 3.202 2.021 4.626 . 0 0 "[ . 1 ]" 1 168 1 49 ASP H 1 50 LYS QB 6.000 . 6.000 4.932 4.892 5.015 . 0 0 "[ . 1 ]" 1 169 1 46 LEU HG 1 49 ASP H 6.000 . 6.000 6.134 6.080 6.260 0.260 6 0 "[ . 1 ]" 1 170 1 48 TYR HA 1 49 ASP H 4.500 . 4.500 3.523 3.511 3.548 . 0 0 "[ . 1 ]" 1 171 1 49 ASP HA 1 50 LYS H . . 3.800 3.638 3.625 3.654 . 0 0 "[ . 1 ]" 1 172 1 48 TYR HA 1 49 ASP QB 5.500 . 5.500 5.274 5.175 5.510 0.010 6 0 "[ . 1 ]" 1 173 1 49 ASP H 1 50 LYS QD 8.500 . 8.500 6.083 4.985 7.131 . 0 0 "[ . 1 ]" 1 174 1 50 LYS H 1 51 THR H 4.200 . 4.200 4.379 4.350 4.406 0.206 5 0 "[ . 1 ]" 1 175 1 49 ASP QB 1 50 LYS H 4.500 . 4.500 2.583 2.442 3.347 . 0 0 "[ . 1 ]" 1 176 1 50 LYS H 1 53 SER QB 5.500 . 5.500 5.763 5.537 5.822 0.322 9 0 "[ . 1 ]" 1 177 1 50 LYS H 1 50 LYS QE 6.000 . 6.000 5.293 3.744 5.905 . 0 0 "[ . 1 ]" 1 178 1 50 LYS HA 1 51 THR H 3.800 . 3.800 2.139 2.111 2.153 . 0 0 "[ . 1 ]" 1 179 1 51 THR H 1 54 LYS QD 4.800 . 4.800 5.081 4.991 5.134 0.334 11 0 "[ . 1 ]" 1 180 1 50 LYS QG 1 51 THR H 4.800 . 4.800 3.198 3.103 3.289 . 0 0 "[ . 1 ]" 1 181 1 50 LYS QE 1 51 THR H 6.000 . 6.000 5.302 4.352 5.732 . 0 0 "[ . 1 ]" 1 182 1 51 THR H 1 54 LYS QB 6.000 . 6.000 5.540 5.461 5.725 . 0 0 "[ . 1 ]" 1 183 1 51 THR H 1 55 VAL QG 6.500 . 6.500 4.854 4.667 5.100 . 0 0 "[ . 1 ]" 1 184 1 50 LYS QD 1 51 THR H 5.500 . 5.500 4.630 2.371 5.082 . 0 0 "[ . 1 ]" 1 185 1 51 THR HA 1 54 LYS QD 6.000 . 6.000 4.327 3.935 6.081 0.081 3 0 "[ . 1 ]" 1 186 1 51 THR HA 1 54 LYS QG 6.500 . 6.500 4.059 3.982 4.360 . 0 0 "[ . 1 ]" 1 187 1 51 THR HA 1 55 VAL QG 6.500 . 6.500 3.315 3.157 3.693 . 0 0 "[ . 1 ]" 1 188 1 50 LYS QB 1 51 THR HA 6.500 . 6.500 4.522 4.505 4.595 . 0 0 "[ . 1 ]" 1 189 1 51 THR HA 1 53 SER H 5.500 . 5.500 5.568 5.518 5.604 0.104 8 0 "[ . 1 ]" 1 190 1 52 PHE H 1 53 SER HA 5.200 . 5.200 5.304 5.274 5.349 0.149 3 0 "[ . 1 ]" 1 191 1 52 PHE H 1 53 SER QB 5.200 . 5.200 4.423 4.301 4.627 . 0 0 "[ . 1 ]" 1 192 1 52 PHE H 1 54 LYS QG 5.200 . 5.200 4.779 4.684 4.985 . 0 0 "[ . 1 ]" 1 193 1 51 THR H 1 52 PHE H 6.000 . 6.000 3.055 3.012 3.094 . 0 0 "[ . 1 ]" 1 194 1 52 PHE H 1 55 VAL QG 7.000 . 7.000 4.519 4.184 4.685 . 0 0 "[ . 1 ]" 1 195 1 52 PHE HA 1 55 VAL H 4.500 . 4.500 4.480 4.358 4.615 0.115 12 0 "[ . 1 ]" 1 196 1 52 PHE HA 1 56 LEU H 4.500 . 4.500 4.118 3.969 4.235 . 0 0 "[ . 1 ]" 1 197 1 52 PHE HA 1 54 LYS QG 5.500 . 5.500 5.217 5.040 5.657 0.157 3 0 "[ . 1 ]" 1 198 1 52 PHE QB 1 53 SER H 5.200 . 5.200 2.384 2.252 2.956 . 0 0 "[ . 1 ]" 1 199 1 53 SER H 1 53 SER QB 3.800 . 3.800 2.232 2.069 2.504 . 0 0 "[ . 1 ]" 1 200 1 51 THR H 1 53 SER H 4.500 . 4.500 4.481 4.432 4.583 0.083 3 0 "[ . 1 ]" 1 201 1 52 PHE HA 1 53 SER H 4.500 . 4.500 3.541 3.521 3.566 . 0 0 "[ . 1 ]" 1 202 1 53 SER H 1 54 LYS QG 5.200 . 5.200 4.416 4.259 4.489 . 0 0 "[ . 1 ]" 1 203 1 50 LYS QG 1 53 SER H 5.000 . 5.000 3.863 3.611 4.474 . 0 0 "[ . 1 ]" 1 204 1 53 SER H 1 54 LYS QB 7.000 . 7.000 5.465 5.414 5.562 . 0 0 "[ . 1 ]" 1 205 1 53 SER H 1 55 VAL QG 8.500 . 8.500 4.929 4.251 5.134 . 0 0 "[ . 1 ]" 1 206 1 53 SER H 1 54 LYS QE 7.000 . 7.000 6.955 6.141 7.136 0.136 6 0 "[ . 1 ]" 1 207 1 53 SER H 1 56 LEU HG 6.000 . 6.000 5.000 4.883 5.134 . 0 0 "[ . 1 ]" 1 208 1 53 SER H 1 56 LEU QD . . 6.500 3.566 3.378 3.816 . 0 0 "[ . 1 ]" 1 209 1 53 SER H 1 55 VAL H 6.000 . 6.000 4.652 4.578 4.814 . 0 0 "[ . 1 ]" 1 210 1 53 SER H 1 54 LYS H 4.200 . 4.200 3.325 3.256 3.356 . 0 0 "[ . 1 ]" 1 211 1 54 LYS H 1 55 VAL H 4.200 . 4.200 3.024 2.980 3.111 . 0 0 "[ . 1 ]" 1 212 1 53 SER HA 1 54 LYS H 4.200 . 4.200 3.561 3.550 3.579 . 0 0 "[ . 1 ]" 1 213 1 54 LYS H 1 54 LYS QG . . 4.200 2.236 1.843 2.349 . 0 0 "[ . 1 ]" 1 214 1 51 THR H 1 54 LYS H 5.500 . 5.500 4.838 4.788 5.017 . 0 0 "[ . 1 ]" 1 215 1 53 SER QB 1 54 LYS H 5.500 . 5.500 1.924 1.833 2.146 . 0 0 "[ . 1 ]" 1 216 1 54 LYS H 1 56 LEU H . . 4.800 4.812 4.680 4.853 0.053 8 0 "[ . 1 ]" 1 217 1 54 LYS H 1 54 LYS QD . . 4.200 3.798 2.092 4.017 . 0 0 "[ . 1 ]" 1 218 1 54 LYS H 1 54 LYS QE . . 6.000 4.416 3.914 4.672 . 0 0 "[ . 1 ]" 1 219 1 50 LYS QG 1 54 LYS H 6.000 . 6.000 3.110 2.702 4.133 . 0 0 "[ . 1 ]" 1 220 1 54 LYS H 1 55 VAL QG . . 6.000 4.274 3.955 4.499 . 0 0 "[ . 1 ]" 1 221 1 54 LYS H 1 55 VAL HA 6.000 . 6.000 5.530 5.501 5.580 . 0 0 "[ . 1 ]" 1 222 1 52 PHE HA 1 54 LYS H 8.000 . 8.000 5.442 5.204 5.501 . 0 0 "[ . 1 ]" 1 223 1 51 THR HB 1 54 LYS H 6.000 . 6.000 6.209 6.142 6.264 0.264 4 0 "[ . 1 ]" 1 224 1 50 LYS H 1 54 LYS HA 5.500 . 5.500 5.843 5.794 5.905 0.405 10 0 "[ . 1 ]" 1 225 1 54 LYS HA 1 57 TRP HZ3 7.000 . 7.000 5.194 3.336 5.584 . 0 0 "[ . 1 ]" 1 226 1 54 LYS HA 1 55 VAL HA 5.500 . 5.500 4.790 4.679 4.821 . 0 0 "[ . 1 ]" 1 227 1 54 LYS QB 1 55 VAL H 5.500 . 5.500 3.228 2.234 3.348 . 0 0 "[ . 1 ]" 1 228 1 54 LYS QB 1 56 LEU QD 7.500 . 7.500 5.628 5.529 5.694 . 0 0 "[ . 1 ]" 1 229 1 54 LYS QB 1 55 VAL QG 7.500 . 7.500 3.949 2.952 4.149 . 0 0 "[ . 1 ]" 1 230 1 53 SER HA 1 54 LYS QG 5.500 . 5.500 5.186 5.028 5.248 . 0 0 "[ . 1 ]" 1 231 1 54 LYS HA 1 55 VAL H 3.800 . 3.800 3.552 3.539 3.563 . 0 0 "[ . 1 ]" 1 232 1 54 LYS QD 1 55 VAL H 5.500 . 5.500 2.071 1.710 4.281 . 0 0 "[ . 1 ]" 1 233 1 54 LYS QG 1 55 VAL H 5.500 . 5.500 2.136 1.947 3.197 . 0 0 "[ . 1 ]" 1 234 1 55 VAL H 1 57 TRP HE1 9.500 . 9.500 5.102 4.931 5.811 . 0 0 "[ . 1 ]" 1 235 1 55 VAL H 1 56 LEU H . . 3.800 2.989 2.798 3.072 . 0 0 "[ . 1 ]" 1 236 1 55 VAL HA 1 58 SER H 5.500 . 5.500 4.877 4.501 5.041 . 0 0 "[ . 1 ]" 1 237 1 55 VAL HA 1 59 ALA H . . 4.500 3.514 3.278 3.593 . 0 0 "[ . 1 ]" 1 238 1 55 VAL HA 1 56 LEU H . . 4.800 3.558 3.541 3.574 . 0 0 "[ . 1 ]" 1 239 1 54 LYS QB 1 55 VAL HB 5.500 . 5.500 5.423 4.647 5.611 0.111 7 0 "[ . 1 ]" 1 240 1 55 VAL HB 1 56 LEU H 6.000 . 6.000 2.356 2.071 4.042 . 0 0 "[ . 1 ]" 1 241 1 54 LYS H 1 55 VAL HB 6.000 . 6.000 5.273 5.055 6.040 0.040 12 0 "[ . 1 ]" 1 242 1 52 PHE HA 1 55 VAL QG 5.500 . 5.500 3.546 2.741 3.732 . 0 0 "[ . 1 ]" 1 243 1 54 LYS QD 1 55 VAL QG 5.500 . 5.500 2.044 1.745 4.961 . 0 0 "[ . 1 ]" 1 244 1 54 LYS QG 1 55 VAL QG 5.500 . 5.500 2.801 2.508 3.704 . 0 0 "[ . 1 ]" 1 245 1 55 VAL QG 1 58 SER QB 6.500 . 6.500 4.724 4.612 4.828 . 0 0 "[ . 1 ]" 1 246 1 55 VAL QG 1 58 SER H 7.000 . 7.000 5.257 4.961 5.355 . 0 0 "[ . 1 ]" 1 247 1 55 VAL QG 1 58 SER HA 6.500 . 6.500 6.714 6.563 6.809 0.309 6 0 "[ . 1 ]" 1 248 1 55 VAL QG 1 56 LEU H . . 6.000 2.798 1.915 2.970 . 0 0 "[ . 1 ]" 1 249 1 56 LEU H 1 57 TRP H 3.800 . 3.800 3.160 3.111 3.258 . 0 0 "[ . 1 ]" 1 250 1 56 LEU H 1 58 SER H 4.800 . 4.800 4.686 4.601 4.756 . 0 0 "[ . 1 ]" 1 251 1 56 LEU H 1 59 ALA H 4.800 . 4.800 4.805 4.687 4.904 0.104 8 0 "[ . 1 ]" 1 252 1 53 SER QB 1 56 LEU H 5.500 . 5.500 5.346 5.277 5.446 . 0 0 "[ . 1 ]" 1 253 1 56 LEU H 1 57 TRP HA 6.000 . 6.000 5.578 5.542 5.652 . 0 0 "[ . 1 ]" 1 254 1 56 LEU QD 1 58 SER H . . 6.000 4.034 3.898 4.113 . 0 0 "[ . 1 ]" 1 255 1 54 LYS HA 1 56 LEU H 6.000 . 6.000 4.893 4.811 5.000 . 0 0 "[ . 1 ]" 1 256 1 56 LEU HA 1 59 ALA H . . 4.500 4.623 4.566 4.687 0.187 6 0 "[ . 1 ]" 1 257 1 56 LEU HA 1 57 TRP H 5.500 . 5.500 3.606 3.593 3.623 . 0 0 "[ . 1 ]" 1 258 1 56 LEU QB 1 57 TRP H . . 5.500 3.206 3.143 3.232 . 0 0 "[ . 1 ]" 1 259 1 56 LEU HA 1 56 LEU HG 3.800 . 3.800 3.685 3.659 3.707 . 0 0 "[ . 1 ]" 1 260 1 54 LYS HA 1 56 LEU HG 5.500 . 5.500 4.821 4.738 4.931 . 0 0 "[ . 1 ]" 1 261 1 56 LEU H 1 56 LEU HG 4.500 . 4.500 2.664 2.528 2.812 . 0 0 "[ . 1 ]" 1 262 1 55 VAL H 1 56 LEU HG 5.500 . 5.500 4.724 4.639 4.816 . 0 0 "[ . 1 ]" 1 263 1 53 SER QB 1 56 LEU HG 5.500 . 5.500 4.618 4.358 4.736 . 0 0 "[ . 1 ]" 1 264 1 54 LYS QB 1 56 LEU HG 6.000 . 6.000 5.991 5.824 6.051 0.051 6 0 "[ . 1 ]" 1 265 1 54 LYS QD 1 56 LEU HG 6.000 . 6.000 6.151 5.792 6.246 0.246 9 0 "[ . 1 ]" 1 266 1 54 LYS QG 1 56 LEU HG 6.000 . 6.000 5.953 5.795 6.234 0.234 3 0 "[ . 1 ]" 1 267 1 56 LEU HG 1 58 SER H 6.500 . 6.500 4.160 3.975 4.236 . 0 0 "[ . 1 ]" 1 268 1 56 LEU QD 1 59 ALA H 5.000 . 5.000 5.171 5.148 5.195 0.195 1 0 "[ . 1 ]" 1 269 1 56 LEU QD 1 57 TRP HA 5.000 . 5.000 2.470 2.401 2.714 . 0 0 "[ . 1 ]" 1 270 1 56 LEU QD 1 59 ALA HA 7.000 . 7.000 7.135 7.106 7.180 0.180 7 0 "[ . 1 ]" 1 271 1 56 LEU QD 1 57 TRP QB . . 6.000 1.821 1.735 1.981 . 0 0 "[ . 1 ]" 1 272 1 55 VAL QG 1 56 LEU QD 7.000 . 7.000 4.175 3.625 4.307 . 0 0 "[ . 1 ]" 1 273 1 56 LEU QD 1 58 SER HA 6.500 . 6.500 5.789 5.742 5.824 . 0 0 "[ . 1 ]" 1 274 1 53 SER HA 1 56 LEU QD 6.500 . 6.500 2.113 1.934 2.244 . 0 0 "[ . 1 ]" 1 275 1 56 LEU QD 1 61 LEU QB 6.500 . 6.500 3.869 3.391 5.334 . 0 0 "[ . 1 ]" 1 276 1 55 VAL H 1 56 LEU QD 7.000 . 7.000 4.681 4.520 4.806 . 0 0 "[ . 1 ]" 1 277 1 57 TRP H 1 58 SER H 3.800 . 3.800 2.709 2.648 2.736 . 0 0 "[ . 1 ]" 1 278 1 54 LYS HA 1 57 TRP H 4.500 . 4.500 4.303 4.214 4.411 . 0 0 "[ . 1 ]" 1 279 1 57 TRP H 1 57 TRP QB . . 3.800 2.598 2.518 2.871 . 0 0 "[ . 1 ]" 1 280 1 56 LEU QD 1 57 TRP H 5.500 . 5.500 2.112 1.919 2.208 . 0 0 "[ . 1 ]" 1 281 1 54 LYS QB 1 57 TRP H 5.500 . 5.500 5.688 5.638 5.739 0.239 7 0 "[ . 1 ]" 1 282 1 57 TRP H 1 59 ALA H 4.500 . 4.500 4.290 4.231 4.331 . 0 0 "[ . 1 ]" 1 283 1 54 LYS HA 1 57 TRP QB 5.000 . 5.000 5.066 4.932 5.201 0.201 3 0 "[ . 1 ]" 1 284 1 57 TRP QB 1 58 SER H 4.700 . 4.700 3.188 3.012 3.230 . 0 0 "[ . 1 ]" 1 285 1 58 SER H 1 59 ALA H 3.800 . 3.800 2.734 2.702 2.767 . 0 0 "[ . 1 ]" 1 286 1 57 TRP HA 1 58 SER H 3.800 . 3.800 3.501 3.469 3.511 . 0 0 "[ . 1 ]" 1 287 1 58 SER H 1 59 ALA MB 4.500 . 4.500 4.363 4.316 4.425 . 0 0 "[ . 1 ]" 1 288 1 58 SER H 1 60 GLY H 5.000 . 5.000 5.188 5.116 5.245 0.245 7 0 "[ . 1 ]" 1 289 1 58 SER H 1 59 ALA HA 5.500 . 5.500 5.255 5.235 5.285 . 0 0 "[ . 1 ]" 1 290 1 54 LYS HA 1 58 SER H 4.500 . 4.500 3.274 3.056 3.525 . 0 0 "[ . 1 ]" 1 291 1 53 SER HA 1 58 SER H 5.800 . 5.800 5.749 5.503 5.885 0.085 1 0 "[ . 1 ]" 1 292 1 55 VAL HB 1 58 SER H 6.500 . 6.500 6.297 6.193 6.586 0.086 12 0 "[ . 1 ]" 1 293 1 57 TRP H 1 58 SER QB 4.500 . 4.500 4.383 4.287 4.443 . 0 0 "[ . 1 ]" 1 294 1 57 TRP QB 1 58 SER QB 5.500 . 5.500 4.416 4.332 4.476 . 0 0 "[ . 1 ]" 1 295 1 54 LYS HA 1 58 SER QB 5.200 . 5.200 2.619 2.109 2.935 . 0 0 "[ . 1 ]" 1 296 1 57 TRP HA 1 58 SER QB 6.000 . 6.000 5.165 5.142 5.189 . 0 0 "[ . 1 ]" 1 297 1 59 ALA H 1 60 GLY H 3.800 . 3.800 3.145 3.118 3.164 . 0 0 "[ . 1 ]" 1 298 1 59 ALA H 1 61 LEU H . . 4.500 4.746 4.678 4.856 0.356 7 0 "[ . 1 ]" 1 299 1 55 VAL HB 1 59 ALA H 6.000 . 6.000 5.713 5.432 5.798 . 0 0 "[ . 1 ]" 1 300 1 57 TRP HD1 1 59 ALA H 8.400 . 8.400 6.256 6.124 6.940 . 0 0 "[ . 1 ]" 1 301 1 57 TRP QB 1 59 ALA H 6.500 . 6.500 5.203 5.107 5.239 . 0 0 "[ . 1 ]" 1 302 1 57 TRP HA 1 59 ALA H 5.500 . 5.500 4.731 4.652 4.780 . 0 0 "[ . 1 ]" 1 303 1 59 ALA H 1 61 LEU QB 7.000 . 7.000 6.333 5.921 7.262 0.262 7 0 "[ . 1 ]" 1 304 1 59 ALA HA 1 60 GLY H . . 3.800 3.562 3.545 3.578 . 0 0 "[ . 1 ]" 1 305 1 59 ALA MB 1 61 LEU H 5.500 . 5.500 4.069 3.931 4.147 . 0 0 "[ . 1 ]" 1 306 1 59 ALA MB 1 60 GLY H . . 4.800 1.906 1.869 1.955 . 0 0 "[ . 1 ]" 1 307 1 56 LEU QD 1 59 ALA MB 6.500 . 6.500 5.269 5.241 5.294 . 0 0 "[ . 1 ]" 1 308 1 60 GLY H 1 61 LEU H 3.800 . 3.800 2.426 2.316 2.478 . 0 0 "[ . 1 ]" 1 309 1 60 GLY H 1 62 VAL H . . 4.300 4.565 4.438 4.645 0.345 1 0 "[ . 1 ]" 1 310 1 57 TRP HA 1 60 GLY H 4.800 . 4.800 5.050 4.979 5.106 0.306 3 0 "[ . 1 ]" 1 311 1 60 GLY H 1 61 LEU HA 5.500 . 5.500 5.013 4.922 5.045 . 0 0 "[ . 1 ]" 1 312 1 60 GLY H 1 61 LEU QB 5.500 . 5.500 4.314 4.004 4.973 . 0 0 "[ . 1 ]" 1 313 1 60 GLY H 1 61 LEU HG 5.500 . 5.500 5.471 3.966 5.771 0.271 10 0 "[ . 1 ]" 1 314 1 58 SER QB 1 60 GLY H 6.000 . 6.000 5.278 5.256 5.324 . 0 0 "[ . 1 ]" 1 315 1 58 SER HA 1 60 GLY H 6.000 . 6.000 5.739 5.709 5.783 . 0 0 "[ . 1 ]" 1 316 1 55 VAL HB 1 60 GLY H 6.500 . 6.500 6.593 6.266 6.701 0.201 7 0 "[ . 1 ]" 1 317 1 55 VAL QG 1 60 GLY H 6.000 . 6.000 4.331 4.108 4.553 . 0 0 "[ . 1 ]" 1 318 1 60 GLY H 1 61 LEU QD 6.500 . 6.500 4.636 3.390 5.271 . 0 0 "[ . 1 ]" 1 319 1 56 LEU QD 1 60 GLY H 8.500 . 8.500 5.383 5.292 5.667 . 0 0 "[ . 1 ]" 1 320 1 60 GLY QA 1 62 VAL H 6.000 . 6.000 4.973 4.909 5.025 . 0 0 "[ . 1 ]" 1 321 1 61 LEU H 1 62 VAL H 4.300 . 4.300 2.706 2.605 2.817 . 0 0 "[ . 1 ]" 1 322 1 61 LEU H 1 62 VAL HA 5.000 . 5.000 5.121 5.078 5.216 0.216 10 0 "[ . 1 ]" 1 323 1 59 ALA HA 1 61 LEU H 5.500 . 5.500 5.650 5.606 5.774 0.274 7 0 "[ . 1 ]" 1 324 1 58 SER HA 1 61 LEU H 6.500 . 6.500 6.374 6.277 6.542 0.042 7 0 "[ . 1 ]" 1 325 1 61 LEU H 1 61 LEU HG . . 4.800 3.621 2.015 3.959 . 0 0 "[ . 1 ]" 1 326 1 61 LEU H 1 62 VAL QG 6.500 . 6.500 4.064 3.969 4.296 . 0 0 "[ . 1 ]" 1 327 1 57 TRP QB 1 61 LEU H 7.500 . 7.500 5.620 5.471 5.746 . 0 0 "[ . 1 ]" 1 328 1 61 LEU HA 1 61 LEU HG 4.500 . 4.500 3.216 2.283 3.653 . 0 0 "[ . 1 ]" 1 329 1 61 LEU HA 1 62 VAL HB 5.000 . 5.000 4.598 4.369 5.425 0.425 10 0 "[ . 1 ]" 1 330 1 61 LEU HA 1 62 VAL H . . 4.300 3.642 3.600 3.661 . 0 0 "[ . 1 ]" 1 331 1 61 LEU QB 1 62 VAL H 5.200 . 5.200 2.892 2.679 3.612 . 0 0 "[ . 1 ]" 1 332 1 61 LEU QB 1 62 VAL QG 6.500 . 6.500 2.499 1.608 3.952 . 0 0 "[ . 1 ]" 1 333 1 57 TRP HA 1 61 LEU QB 6.500 . 6.500 4.261 3.841 5.375 . 0 0 "[ . 1 ]" 1 334 1 61 LEU HG 1 62 VAL H 6.000 . 6.000 4.758 2.201 5.326 . 0 0 "[ . 1 ]" 1 335 1 61 LEU QD 1 63 ALA H 6.500 . 6.500 5.900 4.608 6.282 . 0 0 "[ . 1 ]" 1 336 1 61 LEU QD 1 62 VAL H 6.500 . 6.500 3.793 1.969 4.177 . 0 0 "[ . 1 ]" 1 337 1 62 VAL H 1 63 ALA HA 5.000 . 5.000 5.348 5.281 5.417 0.417 7 0 "[ . 1 ]" 1 338 1 58 SER H 1 62 VAL H 6.000 . 6.000 5.115 4.962 5.226 . 0 0 "[ . 1 ]" 1 339 1 59 ALA H 1 62 VAL H 6.000 . 6.000 5.447 5.348 5.562 . 0 0 "[ . 1 ]" 1 340 1 62 VAL H 1 64 SER H 6.000 . 6.000 4.144 3.995 4.578 . 0 0 "[ . 1 ]" 1 341 1 61 LEU QB 1 62 VAL HB 4.500 . 4.500 3.151 2.725 3.584 . 0 0 "[ . 1 ]" 1 342 1 60 GLY QA 1 62 VAL HB 7.000 . 7.000 7.159 7.054 7.334 0.334 1 0 "[ . 1 ]" 1 343 1 57 TRP HA 1 62 VAL QG 6.000 . 6.000 2.394 1.739 3.846 . 0 0 "[ . 1 ]" 1 344 1 57 TRP QB 1 62 VAL QG . . 6.500 2.766 1.788 3.791 . 0 0 "[ . 1 ]" 1 345 1 57 TRP H 1 62 VAL QG 6.500 . 6.500 4.131 3.057 5.619 . 0 0 "[ . 1 ]" 1 346 1 62 VAL QG 1 65 LYS QB 7.500 . 7.500 5.593 4.864 6.315 . 0 0 "[ . 1 ]" 1 347 1 61 LEU HG 1 62 VAL QG 7.500 . 7.500 4.292 1.760 5.121 . 0 0 "[ . 1 ]" 1 348 1 62 VAL QG 1 63 ALA H . . 5.700 1.677 1.646 1.770 . 0 0 "[ . 1 ]" 1 349 1 62 VAL QG 1 63 ALA HA 6.500 . 6.500 3.593 3.548 3.705 . 0 0 "[ . 1 ]" 1 350 1 62 VAL QG 1 66 SER H 7.000 . 7.000 5.341 5.038 5.614 . 0 0 "[ . 1 ]" 1 351 1 58 SER H 1 62 VAL QG 7.000 . 7.000 5.191 4.295 6.304 . 0 0 "[ . 1 ]" 1 352 1 59 ALA MB 1 62 VAL QG 7.500 . 7.500 6.118 5.572 6.730 . 0 0 "[ . 1 ]" 1 353 1 62 VAL QG 1 64 SER H 7.000 . 7.000 1.690 1.502 1.877 . 0 0 "[ . 1 ]" 1 354 1 62 VAL QG 1 67 GLU H . . 6.500 4.539 4.404 4.689 . 0 0 "[ . 1 ]" 1 355 1 62 VAL QG 1 64 SER HA 6.500 . 6.500 3.011 2.947 3.103 . 0 0 "[ . 1 ]" 1 356 1 58 SER QB 1 62 VAL QG 7.000 . 7.000 6.207 5.501 7.007 0.007 1 0 "[ . 1 ]" 1 357 1 63 ALA H 1 64 SER H 4.200 . 4.200 2.491 2.225 2.620 . 0 0 "[ . 1 ]" 1 358 1 62 VAL HA 1 63 ALA H 3.800 . 3.800 2.361 2.278 2.394 . 0 0 "[ . 1 ]" 1 359 1 62 VAL HB 1 63 ALA H 4.800 . 4.800 3.498 3.333 3.680 . 0 0 "[ . 1 ]" 1 360 1 62 VAL H 1 63 ALA H 4.500 . 4.500 4.453 4.436 4.490 . 0 0 "[ . 1 ]" 1 361 1 63 ALA H 1 64 SER QB 6.000 . 6.000 4.022 3.598 4.350 . 0 0 "[ . 1 ]" 1 362 1 63 ALA H 1 67 GLU H 6.000 . 6.000 6.302 6.260 6.320 0.320 3 0 "[ . 1 ]" 1 363 1 63 ALA HA 1 64 SER H . . 4.500 3.149 3.127 3.181 . 0 0 "[ . 1 ]" 1 364 1 62 VAL HA 1 63 ALA HA 5.500 . 5.500 4.334 4.305 4.371 . 0 0 "[ . 1 ]" 1 365 1 63 ALA MB 1 64 SER H . . 5.500 3.311 3.274 3.339 . 0 0 "[ . 1 ]" 1 366 1 62 VAL HA 1 63 ALA MB 5.500 . 5.500 3.975 3.808 4.039 . 0 0 "[ . 1 ]" 1 367 1 63 ALA MB 1 64 SER QB 7.000 . 7.000 4.604 4.405 4.725 . 0 0 "[ . 1 ]" 1 368 1 62 VAL HB 1 63 ALA MB 6.500 . 6.500 5.036 4.784 5.334 . 0 0 "[ . 1 ]" 1 369 1 64 SER H 1 67 GLU HA 6.000 . 6.000 6.380 6.318 6.498 0.498 5 0 "[ . 1 ]" 1 370 1 64 SER H 1 65 LYS H . . 5.000 3.250 3.212 3.275 . 0 0 "[ . 1 ]" 1 371 1 64 SER H 1 66 SER H 6.000 . 6.000 5.049 4.941 5.130 . 0 0 "[ . 1 ]" 1 372 1 64 SER H 1 67 GLU H 6.000 . 6.000 4.611 4.540 4.691 . 0 0 "[ . 1 ]" 1 373 1 64 SER H 1 67 GLU QB 6.500 . 6.500 3.526 3.462 3.698 . 0 0 "[ . 1 ]" 1 374 1 64 SER HA 1 65 LYS H . . 3.800 3.296 3.243 3.313 . 0 0 "[ . 1 ]" 1 375 1 62 VAL QG 1 64 SER QB 7.000 . 7.000 1.784 1.516 2.459 . 0 0 "[ . 1 ]" 1 376 1 65 LYS H 1 66 SER QB 6.500 . 6.500 4.783 4.420 5.207 . 0 0 "[ . 1 ]" 1 377 1 65 LYS HA 1 66 SER H 4.300 . 4.300 3.515 3.501 3.525 . 0 0 "[ . 1 ]" 1 378 1 64 SER HA 1 66 SER H 6.000 . 6.000 3.481 3.262 3.657 . 0 0 "[ . 1 ]" 1 379 1 63 ALA HA 1 66 SER H 5.500 . 5.500 5.387 5.224 5.634 0.134 9 0 "[ . 1 ]" 1 380 1 66 SER H 1 67 GLU QB 6.000 . 6.000 4.252 4.135 4.357 . 0 0 "[ . 1 ]" 1 381 1 66 SER H 1 69 GLN QG 6.500 . 6.500 5.499 5.082 6.540 0.040 6 0 "[ . 1 ]" 1 382 1 65 LYS H 1 66 SER H 6.500 . 6.500 2.691 2.638 2.743 . 0 0 "[ . 1 ]" 1 383 1 66 SER H 1 69 GLN QB 6.500 . 6.500 5.227 4.803 5.498 . 0 0 "[ . 1 ]" 1 384 1 66 SER HA 1 67 GLU H 5.500 . 5.500 3.587 3.577 3.598 . 0 0 "[ . 1 ]" 1 385 1 66 SER HA 1 67 GLU QB 6.500 . 6.500 5.340 5.249 5.450 . 0 0 "[ . 1 ]" 1 386 1 66 SER HA 1 67 GLU QG 6.500 . 6.500 6.047 5.403 6.615 0.115 3 0 "[ . 1 ]" 1 387 1 66 SER QB 1 67 GLU H 5.500 . 5.500 2.687 2.220 3.171 . 0 0 "[ . 1 ]" 1 388 1 66 SER QB 1 67 GLU QB 6.500 . 6.500 4.197 3.730 4.832 . 0 0 "[ . 1 ]" 1 389 1 66 SER QB 1 67 GLU QG 6.500 . 6.500 4.505 3.273 6.057 . 0 0 "[ . 1 ]" 1 390 1 67 GLU H 1 68 GLY H 4.500 . 4.500 2.763 2.681 2.795 . 0 0 "[ . 1 ]" 1 391 1 67 GLU H 1 68 GLY QA 4.500 . 4.500 4.575 4.500 4.602 0.102 10 0 "[ . 1 ]" 1 392 1 67 GLU H 1 67 GLU QG . . 4.500 3.319 2.654 3.978 . 0 0 "[ . 1 ]" 1 393 1 67 GLU H 1 69 GLN H 5.500 . 5.500 4.524 4.312 4.662 . 0 0 "[ . 1 ]" 1 394 1 67 GLU H 1 70 ARG QB 6.500 . 6.500 4.869 4.805 4.984 . 0 0 "[ . 1 ]" 1 395 1 67 GLU H 1 70 ARG QG 6.500 . 6.500 6.533 6.374 6.567 0.067 4 0 "[ . 1 ]" 1 396 1 62 VAL QG 1 67 GLU HA 6.500 . 6.500 5.308 5.165 5.584 . 0 0 "[ . 1 ]" 1 397 1 67 GLU HA 1 67 GLU QG . . 3.800 2.536 2.301 2.816 . 0 0 "[ . 1 ]" 1 398 1 67 GLU HA 1 70 ARG QB 4.800 . 4.800 2.612 2.529 2.777 . 0 0 "[ . 1 ]" 1 399 1 67 GLU HA 1 68 GLY H . . 4.500 3.491 3.478 3.524 . 0 0 "[ . 1 ]" 1 400 1 66 SER H 1 67 GLU HA 5.200 . 5.200 5.131 5.076 5.159 . 0 0 "[ . 1 ]" 1 401 1 67 GLU HA 1 68 GLY QA 6.000 . 6.000 4.503 4.482 4.509 . 0 0 "[ . 1 ]" 1 402 1 67 GLU HA 1 70 ARG QG . . 5.500 4.192 3.916 4.336 . 0 0 "[ . 1 ]" 1 403 1 62 VAL QG 1 67 GLU QB 6.500 . 6.500 2.992 2.859 3.228 . 0 0 "[ . 1 ]" 1 404 1 63 ALA H 1 67 GLU QG 5.500 . 5.500 5.582 5.515 5.667 0.167 9 0 "[ . 1 ]" 1 405 1 64 SER H 1 67 GLU QG 5.500 . 5.500 4.824 4.384 5.038 . 0 0 "[ . 1 ]" 1 406 1 68 GLY H 1 70 ARG H 4.500 . 4.500 4.206 4.174 4.259 . 0 0 "[ . 1 ]" 1 407 1 64 SER QB 1 68 GLY H 5.500 . 5.500 1.906 1.819 1.997 . 0 0 "[ . 1 ]" 1 408 1 67 GLU QB 1 68 GLY H 3.800 . 3.800 2.607 2.546 2.702 . 0 0 "[ . 1 ]" 1 409 1 68 GLY H 1 69 GLN HA 5.200 . 5.200 5.441 5.396 5.477 0.277 9 0 "[ . 1 ]" 1 410 1 66 SER HA 1 68 GLY H 5.000 . 5.000 4.762 4.690 4.867 . 0 0 "[ . 1 ]" 1 411 1 62 VAL QG 1 68 GLY H 5.000 . 5.000 3.913 3.540 4.409 . 0 0 "[ . 1 ]" 1 412 1 65 LYS QE 1 68 GLY H 6.500 . 6.500 5.954 5.468 6.498 . 0 0 "[ . 1 ]" 1 413 1 63 ALA H 1 68 GLY H 7.000 . 7.000 6.411 6.169 6.491 . 0 0 "[ . 1 ]" 1 414 1 64 SER H 1 68 GLY H 6.500 . 6.500 4.079 4.043 4.195 . 0 0 "[ . 1 ]" 1 415 1 63 ALA MB 1 68 GLY H 6.500 . 6.500 5.793 5.575 6.148 . 0 0 "[ . 1 ]" 1 416 1 68 GLY H 1 69 GLN H 3.800 . 3.800 2.937 2.869 2.995 . 0 0 "[ . 1 ]" 1 417 1 69 GLN H 1 70 ARG H 3.800 . 3.800 2.866 2.834 2.911 . 0 0 "[ . 1 ]" 1 418 1 68 GLY QA 1 69 GLN H 4.800 . 4.800 2.559 2.516 2.587 . 0 0 "[ . 1 ]" 1 419 1 66 SER HA 1 69 GLN H 5.500 . 5.500 4.077 4.001 4.238 . 0 0 "[ . 1 ]" 1 420 1 69 GLN H 1 72 ILE HB 6.000 . 6.000 5.727 5.522 5.905 . 0 0 "[ . 1 ]" 1 421 1 69 GLN H 1 72 ILE MD 8.000 . 8.000 4.341 4.178 4.684 . 0 0 "[ . 1 ]" 1 422 1 69 GLN H 1 72 ILE MG 6.000 . 6.000 6.065 5.949 6.151 0.151 10 0 "[ . 1 ]" 1 423 1 69 GLN HA 1 72 ILE H 4.500 . 4.500 3.526 3.472 3.572 . 0 0 "[ . 1 ]" 1 424 1 69 GLN HA 1 70 ARG H 4.500 . 4.500 3.553 3.545 3.568 . 0 0 "[ . 1 ]" 1 425 1 69 GLN HA 1 72 ILE MG 5.500 . 5.500 4.068 3.909 4.139 . 0 0 "[ . 1 ]" 1 426 1 69 GLN HA 1 72 ILE MD 6.500 . 6.500 3.488 3.272 3.741 . 0 0 "[ . 1 ]" 1 427 1 69 GLN HA 1 73 ASN H 6.500 . 6.500 3.835 3.770 3.945 . 0 0 "[ . 1 ]" 1 428 1 69 GLN QB 1 70 ARG H 5.200 . 5.200 2.526 2.446 2.595 . 0 0 "[ . 1 ]" 1 429 1 69 GLN QB 1 72 ILE MG 6.500 . 6.500 5.414 5.283 5.566 . 0 0 "[ . 1 ]" 1 430 1 70 ARG H 1 71 ILE H 3.800 . 3.800 2.894 2.850 2.911 . 0 0 "[ . 1 ]" 1 431 1 67 GLU HA 1 70 ARG H 3.800 . 3.800 3.455 3.325 3.630 . 0 0 "[ . 1 ]" 1 432 1 67 GLU QB 1 70 ARG H 5.000 . 5.000 4.873 4.717 5.048 0.048 2 0 "[ . 1 ]" 1 433 1 70 ARG H 1 73 ASN H 4.500 . 4.500 4.527 4.502 4.547 0.047 9 0 "[ . 1 ]" 1 434 1 70 ARG H 1 73 ASN QB 5.200 . 5.200 4.287 4.133 4.368 . 0 0 "[ . 1 ]" 1 435 1 70 ARG H 1 74 ASN H 5.500 . 5.500 5.690 5.661 5.724 0.224 2 0 "[ . 1 ]" 1 436 1 70 ARG H 1 72 ILE HB 6.500 . 6.500 5.659 5.452 5.792 . 0 0 "[ . 1 ]" 1 437 1 70 ARG H 1 70 ARG QD 6.000 . 6.000 4.410 3.846 4.731 . 0 0 "[ . 1 ]" 1 438 1 69 GLN QG 1 70 ARG H 6.000 . 6.000 4.252 4.069 4.417 . 0 0 "[ . 1 ]" 1 439 1 70 ARG H 1 72 ILE MG 8.000 . 8.000 6.511 6.397 6.561 . 0 0 "[ . 1 ]" 1 440 1 70 ARG H 1 72 ILE MD . . 7.500 5.042 4.926 5.265 . 0 0 "[ . 1 ]" 1 441 1 70 ARG H 1 71 ILE QG 8.000 . 8.000 4.321 3.890 5.440 . 0 0 "[ . 1 ]" 1 442 1 70 ARG QG 1 74 ASN H 6.500 . 6.500 4.274 4.175 4.349 . 0 0 "[ . 1 ]" 1 443 1 70 ARG QG 1 73 ASN QD . . 5.500 4.307 3.564 4.865 . 0 0 "[ . 1 ]" 1 444 1 68 GLY QA 1 70 ARG QD 6.500 . 6.500 6.244 5.997 6.624 0.124 7 0 "[ . 1 ]" 1 445 1 70 ARG QD 1 74 ASN H 6.500 . 6.500 4.757 3.175 5.568 . 0 0 "[ . 1 ]" 1 446 1 67 GLU HA 1 70 ARG QD 6.500 . 6.500 4.403 3.777 5.640 . 0 0 "[ . 1 ]" 1 447 1 70 ARG QD 1 73 ASN QD . . 6.500 4.839 2.723 6.097 . 0 0 "[ . 1 ]" 1 448 1 71 ILE H 1 73 ASN H . . 3.800 3.954 3.936 3.973 0.173 1 0 "[ . 1 ]" 1 449 1 68 GLY QA 1 71 ILE H 4.800 . 4.800 3.276 3.215 3.393 . 0 0 "[ . 1 ]" 1 450 1 71 ILE H 1 72 ILE MG 6.000 . 6.000 5.855 5.809 5.911 . 0 0 "[ . 1 ]" 1 451 1 70 ARG QG 1 71 ILE H 4.500 . 4.500 3.901 3.195 4.195 . 0 0 "[ . 1 ]" 1 452 1 71 ILE H 1 72 ILE QG 5.000 . 5.000 3.735 3.625 3.894 . 0 0 "[ . 1 ]" 1 453 1 71 ILE H 1 72 ILE H . . 3.800 2.775 2.712 2.810 . 0 0 "[ . 1 ]" 1 454 1 67 GLU HA 1 71 ILE H 4.500 . 4.500 4.491 4.365 4.534 0.034 3 0 "[ . 1 ]" 1 455 1 70 ARG HA 1 71 ILE H 4.500 . 4.500 3.560 3.551 3.566 . 0 0 "[ . 1 ]" 1 456 1 71 ILE H 1 73 ASN QB 5.500 . 5.500 4.435 4.360 4.519 . 0 0 "[ . 1 ]" 1 457 1 71 ILE H 1 74 ASN H 4.500 . 4.500 4.289 4.263 4.308 . 0 0 "[ . 1 ]" 1 458 1 71 ILE H 1 71 ILE QG . . 5.000 2.019 1.758 2.960 . 0 0 "[ . 1 ]" 1 459 1 71 ILE HA 1 72 ILE H 5.000 . 5.000 3.521 3.511 3.532 . 0 0 "[ . 1 ]" 1 460 1 71 ILE HA 1 74 ASN H . . 3.800 3.157 3.119 3.217 . 0 0 "[ . 1 ]" 1 461 1 71 ILE HA 1 72 ILE HB 6.000 . 6.000 6.091 6.024 6.152 0.152 3 0 "[ . 1 ]" 1 462 1 71 ILE HB 1 72 ILE H . . 4.800 2.236 2.183 2.377 . 0 0 "[ . 1 ]" 1 463 1 70 ARG H 1 71 ILE HB 6.000 . 6.000 5.197 5.016 5.506 . 0 0 "[ . 1 ]" 1 464 1 71 ILE HB 1 72 ILE MG . . 6.000 4.885 4.686 5.147 . 0 0 "[ . 1 ]" 1 465 1 71 ILE MG 1 73 ASN H 6.000 . 6.000 4.961 4.775 5.179 . 0 0 "[ . 1 ]" 1 466 1 71 ILE MG 1 72 ILE H . . 5.500 3.315 3.068 3.610 . 0 0 "[ . 1 ]" 1 467 1 68 GLY QA 1 71 ILE MG 6.000 . 6.000 4.194 4.057 4.273 . 0 0 "[ . 1 ]" 1 468 1 71 ILE MG 1 72 ILE MG 7.000 . 7.000 4.681 4.463 5.029 . 0 0 "[ . 1 ]" 1 469 1 71 ILE QG 1 73 ASN H 6.000 . 6.000 5.406 5.044 5.783 . 0 0 "[ . 1 ]" 1 470 1 71 ILE QG 1 72 ILE H 6.000 . 6.000 3.722 3.255 4.266 . 0 0 "[ . 1 ]" 1 471 1 68 GLY QA 1 71 ILE QG 6.000 . 6.000 2.674 2.029 3.836 . 0 0 "[ . 1 ]" 1 472 1 71 ILE QG 1 72 ILE MG 7.000 . 7.000 6.122 5.801 6.477 . 0 0 "[ . 1 ]" 1 473 1 71 ILE H 1 71 ILE MD 5.000 . 5.000 2.908 1.953 3.551 . 0 0 "[ . 1 ]" 1 474 1 70 ARG H 1 71 ILE MD 6.000 . 6.000 4.845 3.727 5.417 . 0 0 "[ . 1 ]" 1 475 1 71 ILE MD 1 72 ILE H . . 5.500 4.188 3.576 4.440 . 0 0 "[ . 1 ]" 1 476 1 68 GLY QA 1 71 ILE MD 6.000 . 6.000 3.031 1.805 4.217 . 0 0 "[ . 1 ]" 1 477 1 71 ILE QG 1 74 ASN H 7.000 . 7.000 5.269 5.023 5.487 . 0 0 "[ . 1 ]" 1 478 1 72 ILE H 1 73 ASN H 3.800 . 3.800 2.691 2.659 2.725 . 0 0 "[ . 1 ]" 1 479 1 72 ILE H 1 72 ILE QG . . 5.000 1.880 1.796 1.965 . 0 0 "[ . 1 ]" 1 480 1 72 ILE H 1 72 ILE MD 5.500 . 5.500 1.976 1.917 2.081 . 0 0 "[ . 1 ]" 1 481 1 72 ILE H 1 73 ASN QD 6.500 . 6.500 5.987 4.729 6.608 0.108 4 0 "[ . 1 ]" 1 482 1 72 ILE H 1 73 ASN QB . . 5.500 4.370 4.256 4.455 . 0 0 "[ . 1 ]" 1 483 1 69 GLN QB 1 72 ILE H 6.500 . 6.500 4.989 4.923 5.044 . 0 0 "[ . 1 ]" 1 484 1 69 GLN QG 1 72 ILE H 6.500 . 6.500 5.456 5.315 5.594 . 0 0 "[ . 1 ]" 1 485 1 72 ILE H 1 74 ASN H 4.500 . 4.500 3.980 3.962 4.016 . 0 0 "[ . 1 ]" 1 486 1 71 ILE H 1 72 ILE HA 6.000 . 6.000 5.353 5.308 5.391 . 0 0 "[ . 1 ]" 1 487 1 72 ILE HA 1 74 ASN QB 6.000 . 6.000 4.956 4.937 4.982 . 0 0 "[ . 1 ]" 1 488 1 72 ILE HA 1 76 GLY H . . 4.500 4.006 3.923 4.093 . 0 0 "[ . 1 ]" 1 489 1 71 ILE QG 1 72 ILE HA 6.000 . 6.000 5.659 5.435 5.777 . 0 0 "[ . 1 ]" 1 490 1 71 ILE MG 1 72 ILE HA 7.000 . 7.000 3.568 3.220 4.035 . 0 0 "[ . 1 ]" 1 491 1 71 ILE H 1 72 ILE HB 6.000 . 6.000 5.348 5.220 5.455 . 0 0 "[ . 1 ]" 1 492 1 69 GLN QB 1 72 ILE HB 7.000 . 7.000 4.588 4.366 4.852 . 0 0 "[ . 1 ]" 1 493 1 72 ILE MG 1 73 ASN H 5.000 . 5.000 3.869 3.779 3.931 . 0 0 "[ . 1 ]" 1 494 1 72 ILE MG 1 73 ASN HA 6.000 . 6.000 4.458 4.224 4.602 . 0 0 "[ . 1 ]" 1 495 1 71 ILE HA 1 72 ILE MG 6.000 . 6.000 6.069 6.034 6.107 0.107 10 0 "[ . 1 ]" 1 496 1 70 ARG QG 1 72 ILE MG 7.500 . 7.500 7.561 7.489 7.625 0.125 4 0 "[ . 1 ]" 1 497 1 72 ILE MG 1 74 ASN H 6.000 . 6.000 5.364 5.303 5.403 . 0 0 "[ . 1 ]" 1 498 1 72 ILE QG 1 73 ASN H 5.000 . 5.000 3.135 2.959 3.372 . 0 0 "[ . 1 ]" 1 499 1 68 GLY QA 1 72 ILE QG . . 6.000 3.588 3.520 3.708 . 0 0 "[ . 1 ]" 1 500 1 72 ILE QG 1 73 ASN HA 6.000 . 6.000 5.289 5.142 5.475 . 0 0 "[ . 1 ]" 1 501 1 71 ILE HA 1 72 ILE QG 6.000 . 6.000 5.145 5.048 5.256 . 0 0 "[ . 1 ]" 1 502 1 71 ILE HB 1 72 ILE QG 6.000 . 6.000 3.521 3.456 3.605 . 0 0 "[ . 1 ]" 1 503 1 70 ARG QG 1 72 ILE QG 7.500 . 7.500 6.281 6.038 6.543 . 0 0 "[ . 1 ]" 1 504 1 68 GLY QA 1 72 ILE MD 5.500 . 5.500 3.015 2.898 3.279 . 0 0 "[ . 1 ]" 1 505 1 71 ILE HA 1 72 ILE MD 5.500 . 5.500 4.487 4.423 4.563 . 0 0 "[ . 1 ]" 1 506 1 71 ILE HB 1 72 ILE MD 6.500 . 6.500 2.207 2.068 2.498 . 0 0 "[ . 1 ]" 1 507 1 67 GLU QB 1 72 ILE MD 6.500 . 6.500 6.257 6.064 6.679 0.179 5 0 "[ . 1 ]" 1 508 1 71 ILE MG 1 72 ILE MD 6.500 . 6.500 3.047 2.650 3.387 . 0 0 "[ . 1 ]" 1 509 1 72 ILE MD 1 73 ASN H 6.000 . 6.000 4.034 3.997 4.077 . 0 0 "[ . 1 ]" 1 510 1 72 ILE MD 1 74 ASN H 6.000 . 6.000 5.231 5.177 5.295 . 0 0 "[ . 1 ]" 1 511 1 72 ILE MD 1 73 ASN HA 6.000 . 6.000 5.922 5.896 5.946 . 0 0 "[ . 1 ]" 1 512 1 69 GLN QB 1 72 ILE MD 7.500 . 7.500 5.006 4.837 5.232 . 0 0 "[ . 1 ]" 1 513 1 73 ASN H 1 74 ASN H 3.800 . 3.800 2.598 2.573 2.623 . 0 0 "[ . 1 ]" 1 514 1 70 ARG HA 1 73 ASN H 4.500 . 4.500 3.486 3.415 3.581 . 0 0 "[ . 1 ]" 1 515 1 72 ILE HA 1 73 ASN H 4.500 . 4.500 3.513 3.499 3.526 . 0 0 "[ . 1 ]" 1 516 1 73 ASN H 1 74 ASN QB . . 4.800 4.185 4.160 4.230 . 0 0 "[ . 1 ]" 1 517 1 69 GLN QB 1 73 ASN H 5.800 . 5.800 4.432 4.357 4.540 . 0 0 "[ . 1 ]" 1 518 1 69 GLN QG 1 73 ASN H 6.500 . 6.500 5.458 4.953 5.814 . 0 0 "[ . 1 ]" 1 519 1 72 ILE HB 1 73 ASN H 6.500 . 6.500 2.490 2.446 2.536 . 0 0 "[ . 1 ]" 1 520 1 71 ILE HB 1 73 ASN H 6.500 . 6.500 4.709 4.667 4.815 . 0 0 "[ . 1 ]" 1 521 1 73 ASN H 1 77 ALA MB 6.500 . 6.500 6.118 5.927 6.265 . 0 0 "[ . 1 ]" 1 522 1 73 ASN HA 1 74 ASN H . . 3.800 3.494 3.489 3.498 . 0 0 "[ . 1 ]" 1 523 1 73 ASN QB 1 74 ASN H 4.800 . 4.800 2.320 2.269 2.400 . 0 0 "[ . 1 ]" 1 524 1 73 ASN QB 1 75 ASN H 6.000 . 6.000 4.369 4.341 4.392 . 0 0 "[ . 1 ]" 1 525 1 73 ASN QB 1 74 ASN QD 6.000 . 6.000 5.255 5.188 5.285 . 0 0 "[ . 1 ]" 1 526 1 70 ARG HA 1 73 ASN QB 5.800 . 5.800 2.255 2.124 2.378 . 0 0 "[ . 1 ]" 1 527 1 70 ARG QG 1 73 ASN QB 6.300 . 6.300 3.562 3.217 4.273 . 0 0 "[ . 1 ]" 1 528 1 70 ARG HA 1 73 ASN QD 5.500 . 5.500 3.239 1.985 4.421 . 0 0 "[ . 1 ]" 1 529 1 73 ASN QD 1 74 ASN QB 5.500 . 5.500 4.979 4.144 5.553 0.053 1 0 "[ . 1 ]" 1 530 1 70 ARG QB 1 73 ASN QD 6.500 . 6.500 4.796 3.761 5.808 . 0 0 "[ . 1 ]" 1 531 1 72 ILE MD 1 73 ASN QD 7.500 . 7.500 6.663 5.438 7.268 . 0 0 "[ . 1 ]" 1 532 1 71 ILE HA 1 73 ASN QD 7.000 . 7.000 6.147 5.882 6.720 . 0 0 "[ . 1 ]" 1 533 1 71 ILE H 1 73 ASN QD 7.000 . 7.000 5.847 4.607 6.645 . 0 0 "[ . 1 ]" 1 534 1 74 ASN H 1 75 ASN H . . 4.200 2.678 2.653 2.700 . 0 0 "[ . 1 ]" 1 535 1 70 ARG HA 1 74 ASN H 5.500 . 5.500 3.818 3.766 3.859 . 0 0 "[ . 1 ]" 1 536 1 74 ASN H 1 76 GLY QA 6.500 . 6.500 6.080 6.046 6.125 . 0 0 "[ . 1 ]" 1 537 1 74 ASN H 1 75 ASN QB 6.500 . 6.500 4.743 4.706 4.772 . 0 0 "[ . 1 ]" 1 538 1 72 ILE HB 1 74 ASN H 6.500 . 6.500 4.870 4.842 4.893 . 0 0 "[ . 1 ]" 1 539 1 71 ILE MD 1 74 ASN H 7.000 . 7.000 5.352 4.569 6.291 . 0 0 "[ . 1 ]" 1 540 1 71 ILE HA 1 74 ASN QB 5.200 . 5.200 1.926 1.840 1.968 . 0 0 "[ . 1 ]" 1 541 1 74 ASN QB 1 75 ASN H . . 4.800 3.085 3.061 3.117 . 0 0 "[ . 1 ]" 1 542 1 71 ILE HA 1 74 ASN QD 5.000 . 5.000 1.968 1.945 1.999 . 0 0 "[ . 1 ]" 1 543 1 70 ARG HA 1 74 ASN QD 6.000 . 6.000 6.161 6.131 6.184 0.184 2 0 "[ . 1 ]" 1 544 1 73 ASN H 1 74 ASN QD 6.000 . 6.000 4.857 4.826 4.871 . 0 0 "[ . 1 ]" 1 545 1 71 ILE H 1 74 ASN QD 6.000 . 6.000 4.454 4.434 4.471 . 0 0 "[ . 1 ]" 1 546 1 73 ASN HA 1 74 ASN QD 6.000 . 6.000 6.189 6.171 6.210 0.210 4 0 "[ . 1 ]" 1 547 1 70 ARG QD 1 74 ASN QD 6.000 . 6.000 5.695 4.955 6.023 0.023 7 0 "[ . 1 ]" 1 548 1 70 ARG QB 1 74 ASN QD 6.000 . 6.000 5.568 5.414 5.889 . 0 0 "[ . 1 ]" 1 549 1 70 ARG QG 1 74 ASN QD 6.000 . 6.000 5.672 4.889 6.033 0.033 5 0 "[ . 1 ]" 1 550 1 72 ILE MD 1 74 ASN QD 6.500 . 6.500 4.458 4.356 4.585 . 0 0 "[ . 1 ]" 1 551 1 75 ASN H 1 76 GLY QA . . 4.500 4.378 4.351 4.408 . 0 0 "[ . 1 ]" 1 552 1 73 ASN H 1 75 ASN H 5.500 . 5.500 3.826 3.787 3.862 . 0 0 "[ . 1 ]" 1 553 1 75 ASN H 1 76 GLY H . . 3.800 2.454 2.417 2.496 . 0 0 "[ . 1 ]" 1 554 1 70 ARG QG 1 75 ASN H 7.000 . 7.000 6.656 6.398 6.807 . 0 0 "[ . 1 ]" 1 555 1 72 ILE MG 1 75 ASN H 7.000 . 7.000 4.484 4.419 4.558 . 0 0 "[ . 1 ]" 1 556 1 76 GLY H 1 77 ALA H 3.800 . 3.800 2.600 2.413 2.737 . 0 0 "[ . 1 ]" 1 557 1 71 ILE MG 1 76 GLY H 5.500 . 5.500 3.383 3.191 3.543 . 0 0 "[ . 1 ]" 1 558 1 76 GLY H 1 77 ALA HA 4.500 . 4.500 4.817 4.777 4.866 0.366 5 0 "[ . 1 ]" 1 559 1 73 ASN QB 1 76 GLY H 6.000 . 6.000 6.360 6.301 6.410 0.410 11 0 "[ . 1 ]" 1 560 1 72 ILE HB 1 76 GLY H 6.500 . 6.500 6.613 6.563 6.670 0.170 9 0 "[ . 1 ]" 1 561 1 76 GLY H 1 77 ALA MB . . 3.800 3.530 3.461 3.614 . 0 0 "[ . 1 ]" 1 562 1 71 ILE HB 1 76 GLY H 6.500 . 6.500 5.561 5.228 5.738 . 0 0 "[ . 1 ]" 1 563 1 74 ASN QB 1 76 GLY H 5.200 . 5.200 3.730 3.692 3.766 . 0 0 "[ . 1 ]" 1 564 1 73 ASN H 1 76 GLY H 5.500 . 5.500 5.813 5.761 5.868 0.368 2 0 "[ . 1 ]" 1 565 1 72 ILE MG 1 76 GLY H 7.000 . 7.000 5.305 5.241 5.417 . 0 0 "[ . 1 ]" 1 566 1 74 ASN QD 1 76 GLY H 6.500 . 6.500 2.055 2.029 2.079 . 0 0 "[ . 1 ]" 1 567 1 75 ASN HA 1 76 GLY QA 4.500 . 4.500 4.116 4.101 4.128 . 0 0 "[ . 1 ]" 1 568 1 77 ALA H 1 78 TYR H 4.300 . 4.300 4.435 4.406 4.450 0.150 11 0 "[ . 1 ]" 1 569 1 76 GLY QA 1 77 ALA H 4.500 . 4.500 2.822 2.746 2.887 . 0 0 "[ . 1 ]" 1 570 1 72 ILE HA 1 77 ALA H 4.500 . 4.500 4.394 4.093 4.551 0.051 1 0 "[ . 1 ]" 1 571 1 75 ASN H 1 77 ALA H 5.200 . 5.200 4.396 4.159 4.546 . 0 0 "[ . 1 ]" 1 572 1 75 ASN QD 1 77 ALA H 6.500 . 6.500 5.040 3.992 5.675 . 0 0 "[ . 1 ]" 1 573 1 74 ASN QD 1 77 ALA H 7.500 . 7.500 3.860 3.639 3.985 . 0 0 "[ . 1 ]" 1 574 1 74 ASN QB 1 77 ALA H 6.500 . 6.500 6.000 5.764 6.126 . 0 0 "[ . 1 ]" 1 575 1 71 ILE HB 1 77 ALA H 8.500 . 8.500 6.600 5.985 6.876 . 0 0 "[ . 1 ]" 1 576 1 72 ILE HB 1 77 ALA H 8.500 . 8.500 7.271 7.020 7.411 . 0 0 "[ . 1 ]" 1 577 1 77 ALA HA 1 78 TYR H . . 3.800 2.374 2.338 2.399 . 0 0 "[ . 1 ]" 1 578 1 76 GLY QA 1 77 ALA MB 4.500 . 4.500 3.981 3.959 4.005 . 0 0 "[ . 1 ]" 1 579 1 77 ALA MB 1 78 TYR H . . 4.500 2.475 2.367 2.534 . 0 0 "[ . 1 ]" 1 580 1 75 ASN QD 1 77 ALA MB 6.500 . 6.500 5.978 5.453 6.367 . 0 0 "[ . 1 ]" 1 581 1 78 TYR H 1 79 VAL H 4.500 . 4.500 4.440 4.412 4.456 . 0 0 "[ . 1 ]" 1 582 1 78 TYR HA 1 79 VAL H 3.800 . 3.800 2.431 2.373 2.472 . 0 0 "[ . 1 ]" 1 583 1 78 TYR HA 1 78 TYR QE 5.500 . 5.500 5.227 4.505 5.504 0.004 9 0 "[ . 1 ]" 1 584 1 78 TYR QB 1 79 VAL H . . 5.200 3.200 2.963 3.442 . 0 0 "[ . 1 ]" 1 585 1 77 ALA MB 1 78 TYR QB 6.000 . 6.000 4.335 4.222 4.437 . 0 0 "[ . 1 ]" 1 586 1 78 TYR QD 1 80 GLY QA 8.000 . 8.000 4.344 4.043 4.479 . 0 0 "[ . 1 ]" 1 587 1 78 TYR QE 1 80 GLY QA 8.000 . 8.000 3.326 2.932 4.482 . 0 0 "[ . 1 ]" 1 588 1 78 TYR HH 1 80 GLY QA 8.000 . 8.000 3.554 2.014 7.316 . 0 0 "[ . 1 ]" 1 589 1 79 VAL H 1 80 GLY QA 5.500 . 5.500 4.580 4.508 4.644 . 0 0 "[ . 1 ]" 1 590 1 79 VAL HA 1 80 GLY H 3.800 . 3.800 2.102 2.085 2.110 . 0 0 "[ . 1 ]" 1 591 1 78 TYR HA 1 79 VAL QG 4.500 . 4.500 4.332 4.103 4.381 . 0 0 "[ . 1 ]" 1 592 1 78 TYR QE 1 79 VAL QG 5.200 . 5.200 4.639 4.384 5.259 0.059 4 0 "[ . 1 ]" 1 593 1 79 VAL QG 1 80 GLY QA 6.000 . 6.000 3.111 3.056 3.160 . 0 0 "[ . 1 ]" 1 594 1 79 VAL HB 1 80 GLY H 5.000 . 5.000 4.333 4.295 4.366 . 0 0 "[ . 1 ]" 1 595 1 78 TYR QD 1 80 GLY H 7.000 . 7.000 4.791 4.550 4.896 . 0 0 "[ . 1 ]" 1 596 1 78 TYR QE 1 80 GLY H 7.000 . 7.000 4.546 3.904 6.092 . 0 0 "[ . 1 ]" 1 597 1 80 GLY H 1 81 SER HA 5.500 . 5.500 4.956 4.907 5.011 . 0 0 "[ . 1 ]" 1 598 1 79 VAL QG 1 80 GLY H 4.500 . 4.500 2.587 2.502 2.649 . 0 0 "[ . 1 ]" 1 599 1 79 VAL HA 1 80 GLY QA 5.500 . 5.500 3.831 3.817 3.842 . 0 0 "[ . 1 ]" 1 600 1 80 GLY QA 1 81 SER HA 6.000 . 6.000 3.931 3.916 3.947 . 0 0 "[ . 1 ]" 1 601 1 81 SER H 1 82 ARG H 4.300 . 4.300 4.388 4.362 4.424 0.124 3 0 "[ . 1 ]" 1 602 1 80 GLY QA 1 81 SER H 4.800 . 4.800 2.148 2.127 2.183 . 0 0 "[ . 1 ]" 1 603 1 80 GLY H 1 81 SER H . . 4.500 4.427 4.402 4.456 . 0 0 "[ . 1 ]" 1 604 1 78 TYR QE 1 81 SER H 6.500 . 6.500 5.459 5.136 6.700 0.200 4 0 "[ . 1 ]" 1 605 1 78 TYR QD 1 81 SER H 6.500 . 6.500 6.831 6.660 6.906 0.406 2 0 "[ . 1 ]" 1 606 1 79 VAL HA 1 81 SER H 6.000 . 6.000 6.240 6.184 6.308 0.308 9 0 "[ . 1 ]" 1 607 1 79 VAL QG 1 81 SER H 6.000 . 6.000 4.390 4.215 4.558 . 0 0 "[ . 1 ]" 1 608 1 81 SER H 1 82 ARG QB 6.500 . 6.500 4.364 4.161 4.899 . 0 0 "[ . 1 ]" 1 609 1 81 SER QB 1 82 ARG H . . 4.500 3.239 2.868 3.651 . 0 0 "[ . 1 ]" 1 610 1 79 VAL QG 1 81 SER QB 7.000 . 7.000 4.178 3.721 4.697 . 0 0 "[ . 1 ]" 1 611 1 81 SER HA 1 82 ARG H 3.800 . 3.800 2.239 2.210 2.283 . 0 0 "[ . 1 ]" 1 612 1 80 GLY QA 1 82 ARG H 5.500 . 5.500 5.481 5.429 5.576 0.076 3 0 "[ . 1 ]" 1 613 1 82 ARG H 1 82 ARG QG 4.500 . 4.500 4.005 2.389 4.496 . 0 0 "[ . 1 ]" 1 614 1 81 SER QB 1 82 ARG QB 4.500 . 4.500 4.589 4.473 4.795 0.295 6 0 "[ . 1 ]" 1 615 1 85 VAL H 1 86 LYS H 3.800 . 3.800 2.273 2.068 2.886 . 0 0 "[ . 1 ]" 1 616 1 85 VAL H 1 86 LYS QE 5.500 . 5.500 5.112 4.309 5.556 0.056 1 0 "[ . 1 ]" 1 617 1 85 VAL HA 1 86 LYS H 3.800 . 3.800 3.294 3.058 3.524 . 0 0 "[ . 1 ]" 1 618 1 85 VAL HA 1 86 LYS QB 4.500 . 4.500 5.194 5.018 5.360 0.860 4 12 [***+*-******] 1 619 1 85 VAL HA 1 86 LYS QG 4.500 . 4.500 4.645 4.506 4.762 0.262 7 0 "[ . 1 ]" 1 620 1 85 VAL HB 1 86 LYS H 3.800 . 3.800 3.876 3.790 4.062 0.262 8 0 "[ . 1 ]" 1 621 1 86 LYS H 1 86 LYS QG 4.500 . 4.500 2.833 2.327 3.166 . 0 0 "[ . 1 ]" 1 622 1 85 VAL QG 1 86 LYS H 4.500 . 4.500 2.788 1.862 3.738 . 0 0 "[ . 1 ]" 1 623 1 86 LYS H 1 87 LYS QE 6.500 . 6.500 5.933 4.826 6.500 0.000 8 0 "[ . 1 ]" 1 624 1 85 VAL QG 1 86 LYS HA 7.000 . 7.000 3.569 2.930 4.345 . 0 0 "[ . 1 ]" 1 625 1 86 LYS HA 1 87 LYS H 3.800 . 3.800 2.200 2.082 2.343 . 0 0 "[ . 1 ]" 1 626 1 86 LYS QB 1 87 LYS H 4.500 . 4.500 3.032 2.430 3.668 . 0 0 "[ . 1 ]" 1 627 1 86 LYS QG 1 87 LYS H 3.800 . 3.800 3.892 3.526 4.137 0.337 5 0 "[ . 1 ]" 1 628 1 85 VAL QG 1 87 LYS H 4.500 . 4.500 4.584 3.916 4.806 0.306 9 0 "[ . 1 ]" 1 629 1 87 LYS H 1 87 LYS QE 5.500 . 5.500 4.381 2.616 5.369 . 0 0 "[ . 1 ]" 1 630 1 87 LYS HA 1 88 ASN H 3.800 . 3.800 3.115 2.900 3.567 . 0 0 "[ . 1 ]" 1 631 1 88 ASN H 1 89 GLU H . . 3.800 4.153 4.095 4.239 0.439 8 0 "[ . 1 ]" 1 632 1 88 ASN HA 1 89 GLU H 3.800 . 3.800 2.144 2.122 2.158 . 0 0 "[ . 1 ]" 1 633 1 87 LYS HA 1 89 GLU H 5.000 . 5.000 5.058 4.951 5.299 0.299 6 0 "[ . 1 ]" 1 634 1 88 ASN QB 1 89 GLU H 5.500 . 5.500 3.734 3.623 3.959 . 0 0 "[ . 1 ]" 1 635 1 96 ASP H 1 97 ASP H 4.200 . 4.200 1.743 1.704 1.815 . 0 0 "[ . 1 ]" 1 636 1 96 ASP H 1 97 ASP HA 4.200 . 4.200 4.397 4.337 4.474 0.274 8 0 "[ . 1 ]" 1 637 1 96 ASP H 1 97 ASP QB . . 4.500 3.737 3.449 4.174 . 0 0 "[ . 1 ]" 1 638 1 95 PRO QG 1 96 ASP H 5.500 . 5.500 4.426 4.159 4.965 . 0 0 "[ . 1 ]" 1 639 1 95 PRO QD 1 96 ASP H 6.500 . 6.500 4.912 4.671 4.992 . 0 0 "[ . 1 ]" 1 640 1 95 PRO QB 1 96 ASP H 5.500 . 5.500 2.827 2.544 3.488 . 0 0 "[ . 1 ]" 1 641 1 97 ASP H 1 98 LEU H 3.800 . 3.800 2.600 2.403 2.690 . 0 0 "[ . 1 ]" 1 642 1 97 ASP H 1 99 THR HA 6.500 . 6.500 6.578 6.539 6.617 0.117 11 0 "[ . 1 ]" 1 643 1 98 LEU H 1 98 LEU HG . . 4.800 4.164 4.059 4.283 . 0 0 "[ . 1 ]" 1 644 1 98 LEU H 1 98 LEU QD . . 4.800 3.915 3.877 3.945 . 0 0 "[ . 1 ]" 1 645 1 95 PRO QB 1 98 LEU H 6.500 . 6.500 3.017 2.503 3.764 . 0 0 "[ . 1 ]" 1 646 1 97 ASP HA 1 98 LEU H . . 3.800 3.500 3.465 3.523 . 0 0 "[ . 1 ]" 1 647 1 97 ASP QB 1 98 LEU H . . 4.800 2.760 2.427 3.398 . 0 0 "[ . 1 ]" 1 648 1 98 LEU H 1 98 LEU QB . . 3.800 2.495 2.397 2.521 . 0 0 "[ . 1 ]" 1 649 1 98 LEU H 1 99 THR H 4.500 . 4.500 4.363 4.327 4.410 . 0 0 "[ . 1 ]" 1 650 1 96 ASP H 1 98 LEU H 5.500 . 5.500 3.531 2.955 3.796 . 0 0 "[ . 1 ]" 1 651 1 95 PRO QD 1 98 LEU H 6.500 . 6.500 5.858 5.330 6.330 . 0 0 "[ . 1 ]" 1 652 1 95 PRO QG 1 98 LEU H 6.500 . 6.500 4.568 3.539 5.729 . 0 0 "[ . 1 ]" 1 653 1 98 LEU HA 1 98 LEU HG . . 4.500 3.245 3.133 3.422 . 0 0 "[ . 1 ]" 1 654 1 97 ASP QB 1 98 LEU HA 6.000 . 6.000 4.306 4.190 4.656 . 0 0 "[ . 1 ]" 1 655 1 97 ASP H 1 98 LEU HA 5.500 . 5.500 5.173 5.031 5.253 . 0 0 "[ . 1 ]" 1 656 1 98 LEU QB 1 99 THR H 4.500 . 4.500 3.613 3.565 3.646 . 0 0 "[ . 1 ]" 1 657 1 96 ASP H 1 98 LEU QB 5.500 . 5.500 5.511 4.946 5.733 0.233 3 0 "[ . 1 ]" 1 658 1 98 LEU HG 1 100 PHE H 4.500 . 4.500 4.554 4.442 4.635 0.135 9 0 "[ . 1 ]" 1 659 1 98 LEU HG 1 99 THR H 4.500 . 4.500 2.847 2.629 3.129 . 0 0 "[ . 1 ]" 1 660 1 98 LEU HG 1 99 THR HB 5.500 . 5.500 5.227 5.048 5.469 . 0 0 "[ . 1 ]" 1 661 1 95 PRO QD 1 98 LEU HG 7.000 . 7.000 6.659 5.743 7.136 0.136 8 0 "[ . 1 ]" 1 662 1 97 ASP QB 1 98 LEU HG 6.500 . 6.500 5.916 5.674 6.536 0.036 5 0 "[ . 1 ]" 1 663 1 95 PRO QG 1 98 LEU HG 7.000 . 7.000 5.281 4.158 6.436 . 0 0 "[ . 1 ]" 1 664 1 95 PRO QB 1 98 LEU HG 7.000 . 7.000 4.893 3.976 5.848 . 0 0 "[ . 1 ]" 1 665 1 97 ASP H 1 98 LEU QD 6.200 . 6.200 5.765 5.576 5.841 . 0 0 "[ . 1 ]" 1 666 1 98 LEU QD 1 99 THR H 5.700 . 5.700 2.320 1.921 2.561 . 0 0 "[ . 1 ]" 1 667 1 99 THR H 1 99 THR HG1 4.500 . 4.500 2.822 2.537 3.503 . 0 0 "[ . 1 ]" 1 668 1 99 THR H 1 100 PHE HA 7.000 . 7.000 4.937 4.893 4.975 . 0 0 "[ . 1 ]" 1 669 1 99 THR H 1 100 PHE QD 8.000 . 8.000 4.352 3.965 4.809 . 0 0 "[ . 1 ]" 1 670 1 99 THR H 1 100 PHE QE 8.000 . 8.000 5.251 4.478 6.677 . 0 0 "[ . 1 ]" 1 671 1 99 THR H 1 100 PHE HZ 9.000 . 9.000 7.149 6.229 9.013 0.013 3 0 "[ . 1 ]" 1 672 1 99 THR H 1 100 PHE QB 7.000 . 7.000 5.421 5.120 5.629 . 0 0 "[ . 1 ]" 1 673 1 99 THR HA 1 100 PHE QB 6.500 . 6.500 4.003 3.841 4.149 . 0 0 "[ . 1 ]" 1 674 1 95 PRO QB 1 99 THR HA . . 6.000 4.472 2.602 6.038 0.038 5 0 "[ . 1 ]" 1 675 1 98 LEU H 1 99 THR HA 5.500 . 5.500 4.709 4.647 4.783 . 0 0 "[ . 1 ]" 1 676 1 99 THR HA 1 100 PHE H . . 3.800 2.186 2.159 2.208 . 0 0 "[ . 1 ]" 1 677 1 99 THR HB 1 100 PHE H . . 3.800 3.652 3.270 3.774 . 0 0 "[ . 1 ]" 1 678 1 99 THR HB 1 101 THR HB 6.000 . 6.000 5.836 5.318 6.220 0.220 4 0 "[ . 1 ]" 1 679 1 98 LEU H 1 99 THR HG1 5.000 . 5.000 4.065 3.838 4.532 . 0 0 "[ . 1 ]" 1 680 1 98 LEU HA 1 99 THR HG1 5.000 . 5.000 3.610 3.325 4.532 . 0 0 "[ . 1 ]" 1 681 1 99 THR HG1 1 100 PHE HA 5.000 . 5.000 3.706 3.444 4.222 . 0 0 "[ . 1 ]" 1 682 1 99 THR HG1 1 101 THR HA 6.500 . 6.500 4.369 4.225 4.647 . 0 0 "[ . 1 ]" 1 683 1 97 ASP QB 1 99 THR HG1 6.500 . 6.500 5.806 5.557 6.118 . 0 0 "[ . 1 ]" 1 684 1 95 PRO QB 1 99 THR HG1 6.500 . 6.500 4.381 2.797 5.557 . 0 0 "[ . 1 ]" 1 685 1 100 PHE H 1 100 PHE QB 3.800 . 3.800 2.570 2.532 2.615 . 0 0 "[ . 1 ]" 1 686 1 100 PHE H 1 101 THR H 4.500 . 4.500 4.267 4.232 4.333 . 0 0 "[ . 1 ]" 1 687 1 99 THR H 1 100 PHE H 5.500 . 5.500 4.373 4.363 4.382 . 0 0 "[ . 1 ]" 1 688 1 99 THR HG1 1 100 PHE H 5.500 . 5.500 1.972 1.868 2.121 . 0 0 "[ . 1 ]" 1 689 1 100 PHE H 1 101 THR HG1 6.500 . 6.500 4.827 3.937 5.180 . 0 0 "[ . 1 ]" 1 690 1 100 PHE HA 1 101 THR H 3.800 . 3.800 2.252 2.223 2.303 . 0 0 "[ . 1 ]" 1 691 1 99 THR HA 1 100 PHE HA 5.500 . 5.500 4.405 4.391 4.415 . 0 0 "[ . 1 ]" 1 692 1 100 PHE QB 1 101 THR HA 5.500 . 5.500 3.994 3.929 4.071 . 0 0 "[ . 1 ]" 1 693 1 98 LEU QB 1 100 PHE QB 6.500 . 6.500 6.183 5.858 6.436 . 0 0 "[ . 1 ]" 1 694 1 100 PHE QB 1 101 THR H 6.500 . 6.500 3.162 3.073 3.420 . 0 0 "[ . 1 ]" 1 695 1 101 THR HG1 1 106 TRP HZ3 6.500 . 6.500 3.962 2.108 5.274 . 0 0 "[ . 1 ]" 1 696 1 101 THR HG1 1 106 TRP HE3 6.500 . 6.500 4.475 2.850 5.672 . 0 0 "[ . 1 ]" 1 697 1 101 THR HG1 1 103 ILE MD 6.000 . 6.000 3.093 2.607 3.804 . 0 0 "[ . 1 ]" 1 698 1 101 THR HG1 1 103 ILE QG 7.000 . 7.000 4.417 3.916 5.031 . 0 0 "[ . 1 ]" 1 699 1 101 THR HG1 1 106 TRP HH2 7.500 . 7.500 3.263 1.829 3.901 . 0 0 "[ . 1 ]" 1 700 1 101 THR HG1 1 106 TRP HD1 7.500 . 7.500 5.104 3.749 6.206 . 0 0 "[ . 1 ]" 1 701 1 101 THR HG1 1 103 ILE HA 5.500 . 5.500 2.396 2.139 2.919 . 0 0 "[ . 1 ]" 1 702 1 99 THR HB 1 101 THR HG1 5.500 . 5.500 5.204 4.135 5.571 0.071 12 0 "[ . 1 ]" 1 703 1 102 PRO QB 1 103 ILE H . . 5.500 3.879 3.728 3.948 . 0 0 "[ . 1 ]" 1 704 1 103 ILE H 1 103 ILE MD 5.500 . 5.500 3.505 3.191 3.693 . 0 0 "[ . 1 ]" 1 705 1 103 ILE H 1 104 LYS HA 5.500 . 5.500 5.365 5.332 5.418 . 0 0 "[ . 1 ]" 1 706 1 103 ILE H 1 106 TRP HH2 8.000 . 8.000 4.725 3.455 5.428 . 0 0 "[ . 1 ]" 1 707 1 101 THR HB 1 103 ILE H 5.000 . 5.000 3.500 2.718 4.038 . 0 0 "[ . 1 ]" 1 708 1 103 ILE HA 1 106 TRP HE1 7.500 . 7.500 5.681 3.717 7.569 0.069 11 0 "[ . 1 ]" 1 709 1 103 ILE HA 1 106 TRP HZ3 7.500 . 7.500 6.790 4.637 7.640 0.140 7 0 "[ . 1 ]" 1 710 1 103 ILE HA 1 106 TRP HH2 7.500 . 7.500 5.683 2.626 6.921 . 0 0 "[ . 1 ]" 1 711 1 103 ILE HA 1 104 LYS QB 6.000 . 6.000 4.849 4.763 5.153 . 0 0 "[ . 1 ]" 1 712 1 103 ILE MG 1 106 TRP HZ3 8.000 . 8.000 7.485 6.908 8.067 0.067 10 0 "[ . 1 ]" 1 713 1 103 ILE MG 1 106 TRP HD1 8.000 . 8.000 7.983 7.538 8.253 0.253 5 0 "[ . 1 ]" 1 714 1 103 ILE MG 1 105 THR HA . . 6.000 6.292 6.050 6.474 0.474 3 0 "[ . 1 ]" 1 715 1 103 ILE MD 1 106 TRP HE1 8.000 . 8.000 6.097 4.172 8.080 0.080 10 0 "[ . 1 ]" 1 716 1 103 ILE MD 1 106 TRP HZ3 8.000 . 8.000 7.057 3.802 8.184 0.184 6 0 "[ . 1 ]" 1 717 1 103 ILE MD 1 105 THR HA 7.000 . 7.000 4.909 4.258 5.872 . 0 0 "[ . 1 ]" 1 718 1 104 LYS HA 1 105 THR H 3.800 . 3.800 2.151 2.081 2.291 . 0 0 "[ . 1 ]" 1 719 1 105 THR H 1 106 TRP H . . 3.800 4.360 4.318 4.391 0.591 2 12 [*+-*********] 1 720 1 105 THR H 1 105 THR HB 4.000 . 4.000 2.594 2.482 2.697 . 0 0 "[ . 1 ]" 1 721 1 104 LYS QB 1 105 THR H 4.800 . 4.800 3.393 2.986 3.756 . 0 0 "[ . 1 ]" 1 722 1 104 LYS QG 1 105 THR H 4.800 . 4.800 3.459 3.001 4.400 . 0 0 "[ . 1 ]" 1 723 1 103 ILE MD 1 105 THR H 6.800 . 6.800 5.301 4.641 6.422 . 0 0 "[ . 1 ]" 1 724 1 103 ILE QG 1 105 THR H 6.800 . 6.800 5.280 4.851 6.197 . 0 0 "[ . 1 ]" 1 725 1 103 ILE HA 1 105 THR H 6.800 . 6.800 5.587 5.270 6.102 . 0 0 "[ . 1 ]" 1 726 1 102 PRO QD 1 105 THR H 7.000 . 7.000 6.894 6.583 7.130 0.130 4 0 "[ . 1 ]" 1 727 1 103 ILE MG 1 105 THR H 6.800 . 6.800 5.154 4.774 5.509 . 0 0 "[ . 1 ]" 1 728 1 105 THR HA 1 106 TRP H 4.300 . 4.300 1.984 1.964 2.010 . 0 0 "[ . 1 ]" 1 729 1 105 THR HA 1 106 TRP HZ3 7.500 . 7.500 6.965 5.202 7.576 0.076 5 0 "[ . 1 ]" 1 730 1 105 THR HB 1 106 TRP H 4.500 . 4.500 4.093 4.047 4.149 . 0 0 "[ . 1 ]" 1 731 1 104 LYS HA 1 105 THR HB 4.800 . 4.800 4.580 4.445 4.736 . 0 0 "[ . 1 ]" 1 732 1 106 TRP H 1 107 ASN HA 4.500 . 4.500 4.171 4.081 4.271 . 0 0 "[ . 1 ]" 1 733 1 105 THR HG1 1 106 TRP H 3.800 . 3.800 3.411 2.799 3.800 0.000 9 0 "[ . 1 ]" 1 734 1 106 TRP H 1 107 ASN H 4.500 . 4.500 3.981 3.880 4.199 . 0 0 "[ . 1 ]" 1 735 1 106 TRP H 1 106 TRP HH2 7.500 . 7.500 6.998 5.547 7.538 0.038 5 0 "[ . 1 ]" 1 736 1 103 ILE QG 1 106 TRP H 8.500 . 8.500 7.144 6.808 7.435 . 0 0 "[ . 1 ]" 1 737 1 106 TRP H 1 110 LYS QG 7.000 . 7.000 4.627 4.251 4.984 . 0 0 "[ . 1 ]" 1 738 1 106 TRP H 1 110 LYS QD 7.000 . 7.000 5.744 4.745 6.597 . 0 0 "[ . 1 ]" 1 739 1 101 THR HG1 1 106 TRP H 7.000 . 7.000 5.150 4.540 6.063 . 0 0 "[ . 1 ]" 1 740 1 106 TRP H 1 111 THR HG1 7.000 . 7.000 6.531 6.349 6.807 . 0 0 "[ . 1 ]" 1 741 1 106 TRP H 1 107 ASN QB 7.000 . 7.000 5.456 5.104 5.639 . 0 0 "[ . 1 ]" 1 742 1 106 TRP H 1 110 LYS QB 7.000 . 7.000 4.123 3.746 4.673 . 0 0 "[ . 1 ]" 1 743 1 106 TRP HA 1 107 ASN HA 6.500 . 6.500 4.382 4.349 4.407 . 0 0 "[ . 1 ]" 1 744 1 106 TRP HA 1 107 ASN QB 7.000 . 7.000 4.496 4.372 4.687 . 0 0 "[ . 1 ]" 1 745 1 106 TRP HA 1 107 ASN H 4.500 . 4.500 2.260 2.225 2.309 . 0 0 "[ . 1 ]" 1 746 1 106 TRP QB 1 107 ASN H 5.200 . 5.200 3.486 3.241 3.562 . 0 0 "[ . 1 ]" 1 747 1 107 ASN QB 1 108 ALA H 5.500 . 5.500 2.014 1.919 2.490 . 0 0 "[ . 1 ]" 1 748 1 107 ASN QB 1 110 LYS H 5.500 . 5.500 5.543 5.465 5.726 0.226 12 0 "[ . 1 ]" 1 749 1 107 ASN QB 1 108 ALA MB 6.000 . 6.000 3.311 3.255 3.564 . 0 0 "[ . 1 ]" 1 750 1 108 ALA H 1 109 SER H 4.500 . 4.500 2.839 2.725 2.958 . 0 0 "[ . 1 ]" 1 751 1 108 ALA H 1 111 THR HB 5.500 . 5.500 5.402 5.119 5.613 0.113 1 0 "[ . 1 ]" 1 752 1 108 ALA H 1 110 LYS H 5.500 . 5.500 4.586 4.438 4.694 . 0 0 "[ . 1 ]" 1 753 1 107 ASN HA 1 108 ALA H 5.500 . 5.500 3.547 3.542 3.556 . 0 0 "[ . 1 ]" 1 754 1 106 TRP HA 1 108 ALA H 6.000 . 6.000 4.988 4.905 5.106 . 0 0 "[ . 1 ]" 1 755 1 108 ALA MB 1 111 THR HB 5.000 . 5.000 5.281 5.231 5.339 0.339 2 0 "[ . 1 ]" 1 756 1 108 ALA MB 1 109 SER H 5.200 . 5.200 2.464 2.216 2.623 . 0 0 "[ . 1 ]" 1 757 1 108 ALA MB 1 110 LYS H 6.000 . 6.000 4.706 4.576 4.843 . 0 0 "[ . 1 ]" 1 758 1 109 SER H 1 110 LYS H . . 4.200 3.054 3.009 3.094 . 0 0 "[ . 1 ]" 1 759 1 108 ALA HA 1 109 SER H 3.800 . 3.800 3.556 3.545 3.571 . 0 0 "[ . 1 ]" 1 760 1 109 SER H 1 110 LYS QG 6.500 . 6.500 6.099 4.801 6.697 0.197 7 0 "[ . 1 ]" 1 761 1 107 ASN QB 1 109 SER H 6.500 . 6.500 4.486 4.302 5.116 . 0 0 "[ . 1 ]" 1 762 1 109 SER H 1 110 LYS QB 6.500 . 6.500 4.873 4.764 5.039 . 0 0 "[ . 1 ]" 1 763 1 109 SER HA 1 113 GLU H 5.500 . 5.500 4.269 4.192 4.371 . 0 0 "[ . 1 ]" 1 764 1 109 SER HA 1 110 LYS QB 6.500 . 6.500 5.308 5.185 5.478 . 0 0 "[ . 1 ]" 1 765 1 109 SER HA 1 110 LYS QE 6.500 . 6.500 5.507 4.160 6.662 0.162 3 0 "[ . 1 ]" 1 766 1 109 SER HA 1 112 GLN QG 6.500 . 6.500 5.550 5.188 5.941 . 0 0 "[ . 1 ]" 1 767 1 109 SER HA 1 110 LYS QD 7.000 . 7.000 6.108 4.736 7.106 0.106 3 0 "[ . 1 ]" 1 768 1 106 TRP HA 1 109 SER QB 8.500 . 8.500 4.989 4.388 6.019 . 0 0 "[ . 1 ]" 1 769 1 110 LYS H 1 110 LYS QG 4.500 . 4.500 3.508 2.345 4.053 . 0 0 "[ . 1 ]" 1 770 1 108 ALA HA 1 110 LYS H 4.500 . 4.500 4.762 4.708 4.826 0.326 7 0 "[ . 1 ]" 1 771 1 109 SER HA 1 110 LYS H 4.500 . 4.500 3.558 3.544 3.568 . 0 0 "[ . 1 ]" 1 772 1 109 SER QB 1 110 LYS H 4.500 . 4.500 2.464 2.230 3.248 . 0 0 "[ . 1 ]" 1 773 1 110 LYS H 1 111 THR HB 5.000 . 5.000 4.999 4.820 5.138 0.138 9 0 "[ . 1 ]" 1 774 1 106 TRP QB 1 110 LYS H 6.000 . 6.000 2.572 2.259 3.062 . 0 0 "[ . 1 ]" 1 775 1 110 LYS H 1 110 LYS QE 5.800 . 5.800 3.997 2.832 4.919 . 0 0 "[ . 1 ]" 1 776 1 110 LYS H 1 110 LYS QD 5.800 . 5.800 3.780 2.077 4.522 . 0 0 "[ . 1 ]" 1 777 1 110 LYS HA 1 113 GLU H 4.200 . 4.200 3.726 3.561 3.845 . 0 0 "[ . 1 ]" 1 778 1 110 LYS QG 1 114 PHE QD 10.000 . 10.000 3.987 2.854 5.310 . 0 0 "[ . 1 ]" 1 779 1 110 LYS QG 1 114 PHE QE 10.000 . 10.000 3.471 1.911 5.753 . 0 0 "[ . 1 ]" 1 780 1 110 LYS QD 1 113 GLU H 9.000 . 9.000 5.546 4.191 6.888 . 0 0 "[ . 1 ]" 1 781 1 106 TRP H 1 110 LYS QE 7.000 . 7.000 6.894 6.265 7.169 0.169 8 0 "[ . 1 ]" 1 782 1 110 LYS QE 1 114 PHE QD 9.000 . 9.000 4.159 2.446 5.653 . 0 0 "[ . 1 ]" 1 783 1 110 LYS QE 1 114 PHE QE 9.000 . 9.000 4.333 2.059 6.886 . 0 0 "[ . 1 ]" 1 784 1 110 LYS QE 1 114 PHE HZ 9.000 . 9.000 4.932 1.829 8.723 . 0 0 "[ . 1 ]" 1 785 1 106 TRP HE1 1 110 LYS QE 10.500 . 10.500 6.469 4.591 8.623 . 0 0 "[ . 1 ]" 1 786 1 106 TRP HH2 1 110 LYS QE 10.500 . 10.500 6.059 4.471 7.362 . 0 0 "[ . 1 ]" 1 787 1 111 THR H 1 112 GLN H 4.300 . 4.300 3.161 3.081 3.235 . 0 0 "[ . 1 ]" 1 788 1 108 ALA HA 1 111 THR H 4.300 . 4.300 3.921 3.787 4.088 . 0 0 "[ . 1 ]" 1 789 1 110 LYS HA 1 111 THR H 6.000 . 6.000 3.552 3.544 3.565 . 0 0 "[ . 1 ]" 1 790 1 109 SER QB 1 111 THR H 5.500 . 5.500 4.793 4.657 5.322 . 0 0 "[ . 1 ]" 1 791 1 111 THR H 1 111 THR HB 4.300 . 4.300 2.440 2.270 2.576 . 0 0 "[ . 1 ]" 1 792 1 111 THR H 1 111 THR HG1 4.300 . 4.300 2.234 1.950 2.609 . 0 0 "[ . 1 ]" 1 793 1 109 SER HA 1 111 THR H 4.800 . 4.800 4.944 4.928 4.972 0.172 8 0 "[ . 1 ]" 1 794 1 110 LYS QB 1 111 THR H 5.500 . 5.500 2.538 2.432 2.658 . 0 0 "[ . 1 ]" 1 795 1 111 THR H 1 114 PHE QB 6.000 . 6.000 6.240 6.127 6.392 0.392 3 0 "[ . 1 ]" 1 796 1 110 LYS QE 1 111 THR H 6.000 . 6.000 4.973 4.324 5.935 . 0 0 "[ . 1 ]" 1 797 1 110 LYS QG 1 111 THR H 6.000 . 6.000 4.052 3.367 4.487 . 0 0 "[ . 1 ]" 1 798 1 109 SER H 1 111 THR H 6.000 . 6.000 4.532 4.481 4.598 . 0 0 "[ . 1 ]" 1 799 1 111 THR HA 1 114 PHE QD 8.000 . 8.000 3.253 2.380 4.479 . 0 0 "[ . 1 ]" 1 800 1 111 THR HB 1 112 GLN H . . 5.500 3.608 3.549 3.665 . 0 0 "[ . 1 ]" 1 801 1 111 THR HG1 1 112 GLN H 5.500 . 5.500 1.611 1.514 1.728 . 0 0 "[ . 1 ]" 1 802 1 111 THR HG1 1 113 GLU H 6.500 . 6.500 3.878 3.741 4.049 . 0 0 "[ . 1 ]" 1 803 1 106 TRP HH2 1 111 THR HG1 11.000 . 11.000 9.792 7.992 10.406 . 0 0 "[ . 1 ]" 1 804 1 112 GLN H 1 113 GLU H . . 3.800 2.911 2.880 2.933 . 0 0 "[ . 1 ]" 1 805 1 111 THR HA 1 112 GLN H 5.500 . 5.500 3.573 3.560 3.582 . 0 0 "[ . 1 ]" 1 806 1 109 SER HA 1 112 GLN H 6.000 . 6.000 4.655 4.518 4.816 . 0 0 "[ . 1 ]" 1 807 1 112 GLN H 1 113 GLU HA . . 5.500 5.442 5.421 5.458 . 0 0 "[ . 1 ]" 1 808 1 112 GLN H 1 114 PHE QD 8.000 . 8.000 5.652 4.978 6.605 . 0 0 "[ . 1 ]" 1 809 1 112 GLN H 1 115 ILE H 6.000 . 6.000 4.883 4.705 5.108 . 0 0 "[ . 1 ]" 1 810 1 112 GLN H 1 115 ILE MD 9.000 . 9.000 6.002 4.994 6.418 . 0 0 "[ . 1 ]" 1 811 1 112 GLN H 1 113 GLU QB 6.000 . 6.000 4.592 4.545 4.662 . 0 0 "[ . 1 ]" 1 812 1 112 GLN H 1 112 GLN QE 6.000 . 6.000 4.268 4.063 4.390 . 0 0 "[ . 1 ]" 1 813 1 112 GLN HA 1 113 GLU QB 6.000 . 6.000 5.188 5.169 5.204 . 0 0 "[ . 1 ]" 1 814 1 113 GLU H 1 114 PHE H . . 3.800 3.114 3.046 3.190 . 0 0 "[ . 1 ]" 1 815 1 113 GLU H 1 115 ILE H 5.200 . 5.200 4.370 4.132 4.514 . 0 0 "[ . 1 ]" 1 816 1 113 GLU H 1 114 PHE HA 5.200 . 5.200 5.521 5.489 5.551 0.351 8 0 "[ . 1 ]" 1 817 1 113 GLU H 1 113 GLU QG 4.500 . 4.500 3.966 3.939 4.075 . 0 0 "[ . 1 ]" 1 818 1 111 THR HA 1 113 GLU H 4.500 . 4.500 4.589 4.538 4.670 0.170 3 0 "[ . 1 ]" 1 819 1 111 THR HB 1 113 GLU H 5.500 . 5.500 5.747 5.687 5.801 0.301 4 0 "[ . 1 ]" 1 820 1 113 GLU H 1 114 PHE QB 6.500 . 6.500 5.325 5.084 5.641 . 0 0 "[ . 1 ]" 1 821 1 111 THR HG1 1 113 GLU H 6.500 . 6.500 5.429 5.032 6.040 . 0 0 "[ . 1 ]" 1 822 1 114 PHE H 1 115 ILE H 3.800 . 3.800 2.314 2.262 2.407 . 0 0 "[ . 1 ]" 1 823 1 114 PHE H 1 115 ILE HA 5.700 . 5.700 4.961 4.923 5.059 . 0 0 "[ . 1 ]" 1 824 1 113 GLU HA 1 114 PHE H 4.500 . 4.500 3.571 3.559 3.584 . 0 0 "[ . 1 ]" 1 825 1 111 THR HG1 1 114 PHE H 5.200 . 5.200 4.945 4.768 5.060 . 0 0 "[ . 1 ]" 1 826 1 112 GLN H 1 114 PHE H 5.500 . 5.500 4.920 4.733 5.039 . 0 0 "[ . 1 ]" 1 827 1 111 THR HG1 1 114 PHE H 6.500 . 6.500 5.773 5.426 5.946 . 0 0 "[ . 1 ]" 1 828 1 114 PHE H 1 116 ILE MD 6.500 . 6.500 5.059 3.734 6.545 0.045 9 0 "[ . 1 ]" 1 829 1 114 PHE H 1 116 ILE MG 6.500 . 6.500 4.590 4.295 4.818 . 0 0 "[ . 1 ]" 1 830 1 113 GLU QB 1 114 PHE H 4.500 . 4.500 2.191 1.991 2.425 . 0 0 "[ . 1 ]" 1 831 1 114 PHE HA 1 115 ILE H . . 3.800 3.489 3.453 3.503 . 0 0 "[ . 1 ]" 1 832 1 111 THR HG1 1 114 PHE HA 7.500 . 7.500 7.670 7.378 7.836 0.336 9 0 "[ . 1 ]" 1 833 1 114 PHE QD 1 115 ILE QG 8.000 . 8.000 4.235 2.666 4.749 . 0 0 "[ . 1 ]" 1 834 1 114 PHE QE 1 115 ILE QG 8.000 . 8.000 4.282 3.280 6.019 . 0 0 "[ . 1 ]" 1 835 1 114 PHE HZ 1 115 ILE QG 8.000 . 8.000 5.352 3.887 8.029 0.029 8 0 "[ . 1 ]" 1 836 1 114 PHE QD 1 116 ILE MD 8.000 . 8.000 5.330 4.516 6.165 . 0 0 "[ . 1 ]" 1 837 1 114 PHE QE 1 116 ILE MD 8.000 . 8.000 6.774 5.934 7.169 . 0 0 "[ . 1 ]" 1 838 1 114 PHE HZ 1 116 ILE MD 8.500 . 8.500 8.383 7.340 8.606 0.106 3 0 "[ . 1 ]" 1 839 1 114 PHE QD 1 115 ILE HA 8.000 . 8.000 4.332 3.787 5.048 . 0 0 "[ . 1 ]" 1 840 1 114 PHE QE 1 115 ILE HA 8.000 . 8.000 5.270 3.955 7.153 . 0 0 "[ . 1 ]" 1 841 1 114 PHE HZ 1 115 ILE HA 8.500 . 8.500 6.415 4.501 9.092 0.592 8 1 "[ . + 1 ]" 1 842 1 113 GLU QG 1 114 PHE QD 8.000 . 8.000 3.478 2.054 4.520 . 0 0 "[ . 1 ]" 1 843 1 113 GLU QG 1 114 PHE QE 8.000 . 8.000 4.622 1.916 6.401 . 0 0 "[ . 1 ]" 1 844 1 113 GLU QG 1 114 PHE HZ 8.000 . 8.000 6.359 3.563 8.120 0.120 1 0 "[ . 1 ]" 1 845 1 114 PHE QB 1 116 ILE QG 8.500 . 8.500 4.577 4.174 5.181 . 0 0 "[ . 1 ]" 1 846 1 114 PHE QB 1 116 ILE MD 8.500 . 8.500 4.766 3.696 5.721 . 0 0 "[ . 1 ]" 1 847 1 115 ILE H 1 116 ILE H 3.800 . 3.800 2.988 2.833 3.078 . 0 0 "[ . 1 ]" 1 848 1 115 ILE H 1 115 ILE HB 3.800 . 3.800 2.298 2.139 2.773 . 0 0 "[ . 1 ]" 1 849 1 115 ILE H 1 115 ILE MG 3.800 . 3.800 3.291 2.918 3.753 . 0 0 "[ . 1 ]" 1 850 1 113 GLU QB 1 115 ILE H 5.200 . 5.200 4.263 4.113 4.446 . 0 0 "[ . 1 ]" 1 851 1 114 PHE QB 1 115 ILE H 6.000 . 6.000 2.893 2.279 3.414 . 0 0 "[ . 1 ]" 1 852 1 112 GLN QE 1 115 ILE H 6.000 . 6.000 5.392 5.096 5.753 . 0 0 "[ . 1 ]" 1 853 1 115 ILE H 1 115 ILE QG . . 4.500 3.476 1.848 4.040 . 0 0 "[ . 1 ]" 1 854 1 115 ILE H 1 116 ILE MG . . 6.500 4.611 4.169 4.960 . 0 0 "[ . 1 ]" 1 855 1 115 ILE H 1 116 ILE MD 7.000 . 7.000 5.154 3.760 5.898 . 0 0 "[ . 1 ]" 1 856 1 115 ILE HA 1 116 ILE H 3.800 . 3.800 3.115 3.077 3.156 . 0 0 "[ . 1 ]" 1 857 1 115 ILE HA 1 115 ILE MD 4.500 . 4.500 1.975 1.779 2.547 . 0 0 "[ . 1 ]" 1 858 1 115 ILE HB 1 116 ILE H . . 5.200 4.127 3.903 4.322 . 0 0 "[ . 1 ]" 1 859 1 115 ILE QG 1 116 ILE H 4.500 . 4.500 4.735 4.428 4.850 0.350 9 0 "[ . 1 ]" 1 860 1 115 ILE QG 1 117 ASP H 6.000 . 6.000 5.084 4.833 5.665 . 0 0 "[ . 1 ]" 1 861 1 115 ILE MG 1 116 ILE H 5.500 . 5.500 3.649 3.263 4.202 . 0 0 "[ . 1 ]" 1 862 1 116 ILE H 1 117 ASP H 4.500 . 4.500 2.446 2.340 2.486 . 0 0 "[ . 1 ]" 1 863 1 116 ILE H 1 120 LEU H 6.000 . 6.000 7.249 6.746 7.449 1.449 9 12 [**-*****+***] 1 864 1 116 ILE HA 1 117 ASP H 4.800 . 4.800 3.470 3.440 3.501 . 0 0 "[ . 1 ]" 1 865 1 115 ILE MD 1 116 ILE HA 5.500 . 5.500 5.782 5.646 5.909 0.409 2 0 "[ . 1 ]" 1 866 1 116 ILE HB 1 117 ASP H 4.500 . 4.500 3.489 3.331 3.641 . 0 0 "[ . 1 ]" 1 867 1 115 ILE HA 1 116 ILE HB 6.000 . 6.000 6.114 6.040 6.174 0.174 12 0 "[ . 1 ]" 1 868 1 116 ILE QG 1 117 ASP H . . 4.500 1.878 1.654 2.119 . 0 0 "[ . 1 ]" 1 869 1 116 ILE QG 1 118 GLY H . . 5.200 3.137 2.808 3.880 . 0 0 "[ . 1 ]" 1 870 1 115 ILE H 1 116 ILE QG 6.500 . 6.500 4.408 4.111 5.030 . 0 0 "[ . 1 ]" 1 871 1 115 ILE HA 1 116 ILE QG 6.500 . 6.500 4.182 4.096 4.434 . 0 0 "[ . 1 ]" 1 872 1 116 ILE MG 1 117 ASP H 5.500 . 5.500 3.927 3.745 4.066 . 0 0 "[ . 1 ]" 1 873 1 112 GLN H 1 116 ILE MG 7.500 . 7.500 5.414 4.994 5.791 . 0 0 "[ . 1 ]" 1 874 1 115 ILE HA 1 116 ILE MG 6.500 . 6.500 5.206 4.961 5.384 . 0 0 "[ . 1 ]" 1 875 1 116 ILE QG 1 117 ASP QB 7.500 . 7.500 4.290 4.019 4.506 . 0 0 "[ . 1 ]" 1 876 1 117 ASP H 1 118 GLY H 3.800 . 3.800 3.336 3.047 3.457 . 0 0 "[ . 1 ]" 1 877 1 117 ASP H 1 118 GLY QA 5.200 . 5.200 4.883 4.745 4.963 . 0 0 "[ . 1 ]" 1 878 1 115 ILE HB 1 117 ASP H 5.200 . 5.200 5.467 5.096 5.698 0.498 9 0 "[ . 1 ]" 1 879 1 117 ASP HA 1 118 GLY H 3.800 . 3.800 2.666 2.610 2.740 . 0 0 "[ . 1 ]" 1 880 1 116 ILE MD 1 117 ASP HA 6.000 . 6.000 4.387 2.354 4.906 . 0 0 "[ . 1 ]" 1 881 1 117 ASP QB 1 118 GLY H . . 5.200 3.998 3.896 4.122 . 0 0 "[ . 1 ]" 1 882 1 116 ILE MG 1 117 ASP QB 6.500 . 6.500 5.592 5.187 5.744 . 0 0 "[ . 1 ]" 1 883 1 115 ILE QG 1 118 GLY H 7.500 . 7.500 7.622 7.170 8.390 0.890 2 2 "[ +- . 1 ]" 1 884 1 116 ILE HB 1 118 GLY H 6.500 . 6.500 3.492 2.895 3.849 . 0 0 "[ . 1 ]" 1 885 1 118 GLY H 1 120 LEU QB 6.500 . 6.500 5.480 5.371 5.688 . 0 0 "[ . 1 ]" 1 886 1 116 ILE H 1 118 GLY H 5.500 . 5.500 5.329 4.792 5.530 0.030 9 0 "[ . 1 ]" 1 887 1 118 GLY H 1 119 ASP H 6.000 . 6.000 2.747 2.675 2.806 . 0 0 "[ . 1 ]" 1 888 1 118 GLY H 1 119 ASP QB 6.000 . 6.000 4.994 4.809 5.176 . 0 0 "[ . 1 ]" 1 889 1 118 GLY QA 1 121 LEU QD 8.000 . 8.000 6.674 6.118 7.045 . 0 0 "[ . 1 ]" 1 890 1 118 GLY QA 1 119 ASP H 6.000 . 6.000 2.654 2.631 2.678 . 0 0 "[ . 1 ]" 1 891 1 119 ASP H 1 121 LEU H 6.000 . 6.000 6.223 6.192 6.277 0.277 5 0 "[ . 1 ]" 1 892 1 117 ASP H 1 119 ASP H 6.000 . 6.000 5.326 4.964 5.480 . 0 0 "[ . 1 ]" 1 893 1 119 ASP H 1 120 LEU HA 6.000 . 6.000 4.677 4.654 4.704 . 0 0 "[ . 1 ]" 1 894 1 118 GLY QA 1 120 LEU H 5.500 . 5.500 4.129 4.109 4.151 . 0 0 "[ . 1 ]" 1 895 1 120 LEU H 1 121 LEU QB 5.500 . 5.500 4.883 4.768 5.010 . 0 0 "[ . 1 ]" 1 896 1 120 LEU H 1 120 LEU QD . . 4.500 4.022 3.995 4.049 . 0 0 "[ . 1 ]" 1 897 1 120 LEU H 1 122 ILE QG 6.500 . 6.500 6.285 6.214 6.460 . 0 0 "[ . 1 ]" 1 898 1 117 ASP QB 1 120 LEU H 6.500 . 6.500 3.130 2.951 3.903 . 0 0 "[ . 1 ]" 1 899 1 120 LEU HA 1 121 LEU H 3.800 . 3.800 2.035 2.018 2.051 . 0 0 "[ . 1 ]" 1 900 1 120 LEU HA 1 120 LEU HG . . 4.500 2.451 2.326 2.510 . 0 0 "[ . 1 ]" 1 901 1 120 LEU QB 1 122 ILE H 5.500 . 5.500 5.413 5.302 5.523 0.023 9 0 "[ . 1 ]" 1 902 1 120 LEU QB 1 121 LEU H 4.500 . 4.500 3.495 3.446 3.527 . 0 0 "[ . 1 ]" 1 903 1 120 LEU HG 1 122 ILE H 4.500 . 4.500 4.562 4.510 4.720 0.220 2 0 "[ . 1 ]" 1 904 1 120 LEU HG 1 121 LEU H 4.500 . 4.500 2.163 2.047 2.265 . 0 0 "[ . 1 ]" 1 905 1 120 LEU QD 1 122 ILE H 5.500 . 5.500 4.028 3.779 4.239 . 0 0 "[ . 1 ]" 1 906 1 121 LEU H 1 121 LEU HG 4.500 . 4.500 4.014 3.579 4.524 0.024 3 0 "[ . 1 ]" 1 907 1 121 LEU HA 1 121 LEU HG 4.500 . 4.500 3.649 3.361 3.780 . 0 0 "[ . 1 ]" 1 908 1 121 LEU HA 1 122 ILE H 5.500 . 5.500 2.274 2.237 2.292 . 0 0 "[ . 1 ]" 1 909 1 121 LEU QB 1 122 ILE H 5.500 . 5.500 3.692 3.588 3.783 . 0 0 "[ . 1 ]" 1 910 1 121 LEU HG 1 122 ILE H 5.500 . 5.500 3.773 3.316 4.029 . 0 0 "[ . 1 ]" 1 911 1 121 LEU HG 1 123 LEU H 5.500 . 5.500 4.809 4.658 4.991 . 0 0 "[ . 1 ]" 1 912 1 121 LEU QD 1 122 ILE H 5.500 . 5.500 2.005 1.882 2.098 . 0 0 "[ . 1 ]" 1 913 1 120 LEU HA 1 122 ILE H 5.500 . 5.500 5.919 5.900 5.944 0.444 9 0 "[ . 1 ]" 1 914 1 122 ILE H 1 122 ILE MG 4.500 . 4.500 3.825 3.734 3.884 . 0 0 "[ . 1 ]" 1 915 1 122 ILE H 1 123 LEU H 4.500 . 4.500 4.349 4.324 4.366 . 0 0 "[ . 1 ]" 1 916 1 122 ILE H 1 124 LYS QD 8.500 . 8.500 7.041 6.426 8.574 0.074 8 0 "[ . 1 ]" 1 917 1 121 LEU QD 1 122 ILE HB 6.500 . 6.500 4.425 4.282 4.715 . 0 0 "[ . 1 ]" 1 918 1 122 ILE HB 1 123 LEU H 5.500 . 5.500 3.222 3.057 3.302 . 0 0 "[ . 1 ]" 1 919 1 122 ILE HA 1 123 LEU H 5.500 . 5.500 2.124 2.108 2.149 . 0 0 "[ . 1 ]" 1 920 1 122 ILE MG 1 123 LEU H 5.500 . 5.500 2.747 2.641 3.098 . 0 0 "[ . 1 ]" 1 921 1 122 ILE MG 1 123 LEU HA 7.000 . 7.000 4.723 4.621 4.953 . 0 0 "[ . 1 ]" 1 922 1 122 ILE MG 1 124 LYS QD 7.000 . 7.000 4.009 3.244 5.517 . 0 0 "[ . 1 ]" 1 923 1 120 LEU HG 1 122 ILE QG 5.000 . 5.000 2.962 2.719 3.278 . 0 0 "[ . 1 ]" 1 924 1 121 LEU H 1 122 ILE QG 5.500 . 5.500 3.928 3.819 4.092 . 0 0 "[ . 1 ]" 1 925 1 122 ILE QG 1 123 LEU H 5.500 . 5.500 4.483 4.426 4.503 . 0 0 "[ . 1 ]" 1 926 1 122 ILE QG 1 124 LYS QB 6.500 . 6.500 6.586 6.013 6.775 0.275 3 0 "[ . 1 ]" 1 927 1 120 LEU QB 1 122 ILE QG 6.500 . 6.500 3.992 3.872 4.153 . 0 0 "[ . 1 ]" 1 928 1 121 LEU HA 1 122 ILE QG 6.500 . 6.500 3.354 3.287 3.401 . 0 0 "[ . 1 ]" 1 929 1 122 ILE QG 1 124 LYS QG 7.500 . 7.500 5.964 4.838 7.720 0.220 8 0 "[ . 1 ]" 1 930 1 122 ILE H 1 122 ILE MD 5.500 . 5.500 3.935 3.677 3.987 . 0 0 "[ . 1 ]" 1 931 1 121 LEU H 1 122 ILE MD 5.500 . 5.500 5.247 5.144 5.645 0.145 2 0 "[ . 1 ]" 1 932 1 122 ILE MD 1 123 LEU H 5.500 . 5.500 5.008 4.869 5.043 . 0 0 "[ . 1 ]" 1 933 1 123 LEU H 1 123 LEU HG 4.500 . 4.500 3.571 3.516 3.658 . 0 0 "[ . 1 ]" 1 934 1 123 LEU H 1 124 LYS H 6.000 . 6.000 4.272 4.258 4.286 . 0 0 "[ . 1 ]" 1 935 1 123 LEU HA 1 124 LYS H . . 3.800 2.217 2.193 2.235 . 0 0 "[ . 1 ]" 1 936 1 122 ILE QG 1 123 LEU HA 5.500 . 5.500 5.152 4.911 5.286 . 0 0 "[ . 1 ]" 1 937 1 123 LEU QB 1 124 LYS QB 5.500 . 5.500 5.339 5.076 5.520 0.020 1 0 "[ . 1 ]" 1 938 1 122 ILE H 1 123 LEU QB 6.000 . 6.000 4.834 4.776 4.885 . 0 0 "[ . 1 ]" 1 939 1 123 LEU QB 1 124 LYS H 6.000 . 6.000 3.485 3.430 3.531 . 0 0 "[ . 1 ]" 1 940 1 122 ILE HA 1 123 LEU QB 6.000 . 6.000 3.876 3.841 3.909 . 0 0 "[ . 1 ]" 1 941 1 123 LEU HG 1 124 LYS H 6.000 . 6.000 3.514 3.339 3.590 . 0 0 "[ . 1 ]" 1 942 1 123 LEU QD 1 124 LYS H 7.500 . 7.500 2.561 2.237 2.863 . 0 0 "[ . 1 ]" 1 943 1 122 ILE H 1 123 LEU QD 8.000 . 8.000 5.920 5.859 5.988 . 0 0 "[ . 1 ]" 1 944 1 123 LEU QD 1 130 MET HA 6.000 . 6.000 3.876 3.826 3.932 . 0 0 "[ . 1 ]" 1 945 1 122 ILE HB 1 124 LYS H 4.800 . 4.800 5.098 5.077 5.129 0.329 7 0 "[ . 1 ]" 1 946 1 124 LYS H 1 124 LYS QE 5.800 . 5.800 4.865 2.379 5.623 . 0 0 "[ . 1 ]" 1 947 1 122 ILE MG 1 124 LYS H 6.500 . 6.500 5.538 5.408 5.813 . 0 0 "[ . 1 ]" 1 948 1 121 LEU QD 1 124 LYS H 6.500 . 6.500 5.835 5.652 6.270 . 0 0 "[ . 1 ]" 1 949 1 124 LYS HA 1 125 LEU H 3.800 . 3.800 2.176 2.156 2.219 . 0 0 "[ . 1 ]" 1 950 1 124 LYS QB 1 125 LEU H . . 5.200 3.088 3.007 3.339 . 0 0 "[ . 1 ]" 1 951 1 124 LYS QG 1 125 LEU H . . 4.500 3.826 3.133 4.316 . 0 0 "[ . 1 ]" 1 952 1 123 LEU HA 1 124 LYS QG 5.000 . 5.000 4.250 3.329 5.118 0.118 6 0 "[ . 1 ]" 1 953 1 124 LYS QD 1 125 LEU H 6.500 . 6.500 5.373 5.127 5.597 . 0 0 "[ . 1 ]" 1 954 1 124 LYS HA 1 124 LYS QE 5.000 . 5.000 4.156 3.617 4.580 . 0 0 "[ . 1 ]" 1 955 1 125 LEU H 1 130 MET HA 4.500 . 4.500 2.100 1.981 2.216 . 0 0 "[ . 1 ]" 1 956 1 125 LEU H 1 125 LEU HG 5.200 . 5.200 2.728 2.636 2.870 . 0 0 "[ . 1 ]" 1 957 1 125 LEU H 1 126 GLY H . . 4.500 4.295 4.280 4.307 . 0 0 "[ . 1 ]" 1 958 1 125 LEU H 1 130 MET H 5.500 . 5.500 4.294 4.163 4.398 . 0 0 "[ . 1 ]" 1 959 1 125 LEU H 1 129 LYS H 5.500 . 5.500 4.713 4.655 4.791 . 0 0 "[ . 1 ]" 1 960 1 125 LEU H 1 129 LYS HA 5.500 . 5.500 4.902 4.813 4.974 . 0 0 "[ . 1 ]" 1 961 1 125 LEU H 1 127 LYS QE 6.500 . 6.500 5.749 4.601 6.575 0.075 6 0 "[ . 1 ]" 1 962 1 125 LEU HA 1 126 GLY H . . 3.800 2.136 2.117 2.149 . 0 0 "[ . 1 ]" 1 963 1 124 LYS QB 1 125 LEU HA 7.000 . 7.000 4.199 4.037 4.819 . 0 0 "[ . 1 ]" 1 964 1 125 LEU QB 1 126 GLY H . . 4.500 3.108 3.069 3.137 . 0 0 "[ . 1 ]" 1 965 1 124 LYS QG 1 125 LEU QB 6.000 . 6.000 5.804 4.688 6.245 0.245 1 0 "[ . 1 ]" 1 966 1 125 LEU QD 1 126 GLY H 6.000 . 6.000 4.201 4.058 4.297 . 0 0 "[ . 1 ]" 1 967 1 77 ALA MB 1 126 GLY H 4.500 . 4.500 3.375 3.077 3.858 . 0 0 "[ . 1 ]" 1 968 1 126 GLY H 1 127 LYS H 4.500 . 4.500 2.515 2.494 2.553 . 0 0 "[ . 1 ]" 1 969 1 126 GLY H 1 127 LYS QG 5.500 . 5.500 3.841 3.454 4.100 . 0 0 "[ . 1 ]" 1 970 1 126 GLY H 1 127 LYS QD 7.000 . 7.000 5.855 5.283 6.197 . 0 0 "[ . 1 ]" 1 971 1 126 GLY QA 1 127 LYS H 4.500 . 4.500 2.945 2.939 2.954 . 0 0 "[ . 1 ]" 1 972 1 127 LYS H 1 127 LYS QG 4.500 . 4.500 1.916 1.524 2.207 . 0 0 "[ . 1 ]" 1 973 1 127 LYS H 1 127 LYS QD . . 4.200 3.872 3.399 4.112 . 0 0 "[ . 1 ]" 1 974 1 127 LYS H 1 129 LYS QG 6.000 . 6.000 5.972 5.834 6.087 0.087 10 0 "[ . 1 ]" 1 975 1 127 LYS H 1 128 TRP H 5.500 . 5.500 2.568 2.531 2.623 . 0 0 "[ . 1 ]" 1 976 1 127 LYS H 1 129 LYS H 5.500 . 5.500 4.364 4.341 4.384 . 0 0 "[ . 1 ]" 1 977 1 127 LYS H 1 128 TRP HA 6.000 . 6.000 4.991 4.942 5.016 . 0 0 "[ . 1 ]" 1 978 1 125 LEU HA 1 127 LYS H 6.000 . 6.000 3.702 3.665 3.788 . 0 0 "[ . 1 ]" 1 979 1 127 LYS HA 1 127 LYS QD . . 4.200 4.037 3.777 4.272 0.072 8 0 "[ . 1 ]" 1 980 1 127 LYS HA 1 127 LYS QE 6.000 . 6.000 5.101 4.633 5.570 . 0 0 "[ . 1 ]" 1 981 1 125 LEU QD 1 127 LYS HA 7.000 . 7.000 6.028 5.878 6.180 . 0 0 "[ . 1 ]" 1 982 1 127 LYS QB 1 127 LYS QE . . 3.800 3.455 3.071 3.767 . 0 0 "[ . 1 ]" 1 983 1 127 LYS QB 1 128 TRP H 5.500 . 5.500 3.244 3.049 3.363 . 0 0 "[ . 1 ]" 1 984 1 127 LYS QE 1 128 TRP HE1 5.500 . 5.500 4.729 1.941 5.703 0.203 10 0 "[ . 1 ]" 1 985 1 127 LYS QE 1 128 TRP HD1 5.500 . 5.500 4.366 2.899 5.390 . 0 0 "[ . 1 ]" 1 986 1 127 LYS QE 1 128 TRP HH2 5.500 . 5.500 5.324 4.803 5.604 0.104 5 0 "[ . 1 ]" 1 987 1 127 LYS QD 1 128 TRP HE1 5.500 . 5.500 4.289 2.833 5.523 0.023 12 0 "[ . 1 ]" 1 988 1 127 LYS QD 1 128 TRP HD1 5.500 . 5.500 4.138 2.768 5.428 . 0 0 "[ . 1 ]" 1 989 1 127 LYS QD 1 128 TRP HZ3 5.500 . 5.500 4.167 3.591 5.531 0.031 6 0 "[ . 1 ]" 1 990 1 127 LYS QD 1 128 TRP HZ2 5.500 . 5.500 4.460 2.519 5.490 . 0 0 "[ . 1 ]" 1 991 1 125 LEU QB 1 127 LYS QD 7.000 . 7.000 3.801 3.235 4.321 . 0 0 "[ . 1 ]" 1 992 1 127 LYS QD 1 128 TRP HA 6.000 . 6.000 4.469 3.495 5.915 . 0 0 "[ . 1 ]" 1 993 1 128 TRP H 1 129 LYS H 3.800 . 3.800 2.233 2.170 2.271 . 0 0 "[ . 1 ]" 1 994 1 126 GLY QA 1 128 TRP H 4.500 . 4.500 4.080 4.023 4.103 . 0 0 "[ . 1 ]" 1 995 1 127 LYS QG 1 128 TRP H 4.500 . 4.500 1.909 1.714 2.594 . 0 0 "[ . 1 ]" 1 996 1 127 LYS HA 1 128 TRP H 4.500 . 4.500 3.566 3.559 3.572 . 0 0 "[ . 1 ]" 1 997 1 128 TRP H 1 129 LYS QB 5.200 . 5.200 5.019 4.812 5.133 . 0 0 "[ . 1 ]" 1 998 1 128 TRP H 1 129 LYS QG 5.200 . 5.200 4.038 3.904 4.263 . 0 0 "[ . 1 ]" 1 999 1 128 TRP H 1 129 LYS HA 5.500 . 5.500 4.521 4.453 4.572 . 0 0 "[ . 1 ]" 1 1000 1 125 LEU H 1 128 TRP H 6.000 . 6.000 5.387 5.336 5.458 . 0 0 "[ . 1 ]" 1 1001 1 127 LYS QD 1 128 TRP H 6.000 . 6.000 3.011 2.160 3.909 . 0 0 "[ . 1 ]" 1 1002 1 128 TRP H 1 128 TRP HZ3 7.500 . 7.500 6.892 6.346 7.690 0.190 6 0 "[ . 1 ]" 1 1003 1 127 LYS HA 1 128 TRP HA 5.000 . 5.000 4.458 4.421 4.484 . 0 0 "[ . 1 ]" 1 1004 1 125 LEU HA 1 129 LYS H 5.500 . 5.500 5.707 5.654 5.823 0.323 8 0 "[ . 1 ]" 1 1005 1 129 LYS H 1 129 LYS QB 3.800 . 3.800 3.151 3.008 3.211 . 0 0 "[ . 1 ]" 1 1006 1 129 LYS H 1 129 LYS QG 4.500 . 4.500 2.144 1.988 2.303 . 0 0 "[ . 1 ]" 1 1007 1 126 GLY QA 1 129 LYS H 5.200 . 5.200 5.086 5.042 5.127 . 0 0 "[ . 1 ]" 1 1008 1 127 LYS QG 1 129 LYS H 5.200 . 5.200 3.382 2.945 4.084 . 0 0 "[ . 1 ]" 1 1009 1 128 TRP QB 1 129 LYS H 5.200 . 5.200 2.591 2.354 3.282 . 0 0 "[ . 1 ]" 1 1010 1 125 LEU HG 1 129 LYS H 5.500 . 5.500 5.547 5.505 5.615 0.115 8 0 "[ . 1 ]" 1 1011 1 129 LYS H 1 130 MET HA 5.500 . 5.500 4.941 4.910 4.969 . 0 0 "[ . 1 ]" 1 1012 1 127 LYS HA 1 129 LYS H 5.500 . 5.500 5.786 5.726 5.813 0.313 6 0 "[ . 1 ]" 1 1013 1 129 LYS H 1 131 LYS H 6.000 . 6.000 6.439 6.370 6.491 0.491 6 0 "[ . 1 ]" 1 1014 1 129 LYS H 1 129 LYS QE 6.500 . 6.500 4.083 2.966 5.040 . 0 0 "[ . 1 ]" 1 1015 1 129 LYS HA 1 130 MET H . . 4.300 2.315 2.307 2.330 . 0 0 "[ . 1 ]" 1 1016 1 130 MET H 1 131 LYS H 4.300 . 4.300 4.281 4.245 4.318 0.018 5 0 "[ . 1 ]" 1 1017 1 129 LYS H 1 130 MET H 4.300 . 4.300 4.408 4.394 4.417 0.117 5 0 "[ . 1 ]" 1 1018 1 130 MET H 1 130 MET QG . . 5.000 3.512 3.391 3.863 . 0 0 "[ . 1 ]" 1 1019 1 129 LYS QB 1 130 MET H 5.500 . 5.500 2.302 2.246 2.439 . 0 0 "[ . 1 ]" 1 1020 1 128 TRP HA 1 130 MET H 6.500 . 6.500 6.768 6.744 6.794 0.294 4 0 "[ . 1 ]" 1 1021 1 128 TRP QB 1 130 MET H 6.500 . 6.500 5.945 5.822 6.360 . 0 0 "[ . 1 ]" 1 1022 1 130 MET HA 1 131 LYS H . . 3.800 2.123 2.096 2.149 . 0 0 "[ . 1 ]" 1 1023 1 125 LEU HG 1 130 MET HA 6.000 . 6.000 3.712 3.390 3.926 . 0 0 "[ . 1 ]" 1 1024 1 130 MET HA 1 131 LYS QD 6.000 . 6.000 6.137 6.026 6.302 0.302 12 0 "[ . 1 ]" 1 1025 1 130 MET QB 1 131 LYS H 5.000 . 5.000 3.512 3.471 3.627 . 0 0 "[ . 1 ]" 1 1026 1 129 LYS HA 1 130 MET QB 5.000 . 5.000 3.959 3.927 4.008 . 0 0 "[ . 1 ]" 1 1027 1 130 MET QG 1 131 LYS H 4.800 . 4.800 2.747 2.573 2.847 . 0 0 "[ . 1 ]" 1 1028 1 130 MET QG 1 133 VAL HA 7.500 . 7.500 7.816 7.741 7.887 0.387 9 0 "[ . 1 ]" 1 1029 1 124 LYS HA 1 131 LYS H 3.800 . 3.800 2.878 2.794 2.942 . 0 0 "[ . 1 ]" 1 1030 1 131 LYS H 1 132 LEU QB 4.800 . 4.800 4.977 4.912 5.028 0.228 1 0 "[ . 1 ]" 1 1031 1 131 LYS H 1 132 LEU H . . 4.500 4.305 4.238 4.351 . 0 0 "[ . 1 ]" 1 1032 1 131 LYS H 1 131 LYS QE 6.500 . 6.500 4.907 4.465 5.443 . 0 0 "[ . 1 ]" 1 1033 1 131 LYS HA 1 132 LEU H . . 3.800 2.131 2.100 2.152 . 0 0 "[ . 1 ]" 1 1034 1 131 LYS HA 1 132 LEU QB 6.000 . 6.000 3.982 3.869 4.579 . 0 0 "[ . 1 ]" 1 1035 1 131 LYS HA 1 133 VAL H 6.000 . 6.000 6.055 6.004 6.095 0.095 12 0 "[ . 1 ]" 1 1036 1 131 LYS QB 1 132 LEU H 5.000 . 5.000 3.661 3.628 3.686 . 0 0 "[ . 1 ]" 1 1037 1 131 LYS QG 1 132 LEU H 5.500 . 5.500 3.136 2.724 3.525 . 0 0 "[ . 1 ]" 1 1038 1 131 LYS QG 1 132 LEU HA 5.500 . 5.500 4.315 3.682 5.034 . 0 0 "[ . 1 ]" 1 1039 1 130 MET HA 1 131 LYS QG 6.500 . 6.500 5.652 5.551 5.776 . 0 0 "[ . 1 ]" 1 1040 1 131 LYS H 1 131 LYS QD 5.500 . 5.500 4.332 4.194 4.460 . 0 0 "[ . 1 ]" 1 1041 1 131 LYS HA 1 131 LYS QE 5.500 . 5.500 3.897 2.798 4.580 . 0 0 "[ . 1 ]" 1 1042 1 131 LYS QE 1 132 LEU HA 5.500 . 5.500 5.508 4.952 5.813 0.313 10 0 "[ . 1 ]" 1 1043 1 130 MET HA 1 131 LYS QE 6.500 . 6.500 6.451 6.149 6.867 0.367 6 0 "[ . 1 ]" 1 1044 1 132 LEU H 1 133 VAL H 4.500 . 4.500 4.347 4.317 4.369 . 0 0 "[ . 1 ]" 1 1045 1 130 MET QG 1 132 LEU H 6.500 . 6.500 3.969 3.905 4.030 . 0 0 "[ . 1 ]" 1 1046 1 131 LYS QE 1 132 LEU H 7.000 . 7.000 4.369 3.589 5.004 . 0 0 "[ . 1 ]" 1 1047 1 132 LEU QB 1 133 VAL H . . 4.500 3.563 3.009 3.674 . 0 0 "[ . 1 ]" 1 1048 1 132 LEU H 1 132 LEU HG 4.500 . 4.500 4.133 1.989 4.609 0.109 3 0 "[ . 1 ]" 1 1049 1 132 LEU HG 1 133 VAL H 5.500 . 5.500 3.225 2.811 4.797 . 0 0 "[ . 1 ]" 1 1050 1 132 LEU QD 1 133 VAL H 5.500 . 5.500 2.557 1.928 4.302 . 0 0 "[ . 1 ]" 1 1051 1 132 LEU QD 1 134 SER HA 6.500 . 6.500 4.084 3.639 6.297 . 0 0 "[ . 1 ]" 1 1052 1 131 LYS HA 1 132 LEU QD 5.500 . 5.500 4.998 3.088 5.199 . 0 0 "[ . 1 ]" 1 1053 1 130 MET QB 1 132 LEU QD 6.500 . 6.500 5.512 3.543 5.988 . 0 0 "[ . 1 ]" 1 1054 1 132 LEU HA 1 133 VAL H 3.800 . 3.800 2.170 2.152 2.191 . 0 0 "[ . 1 ]" 1 1055 1 133 VAL H 1 133 VAL QG . . 4.200 2.963 2.800 3.090 . 0 0 "[ . 1 ]" 1 1056 1 133 VAL H 1 134 SER H 4.500 . 4.500 4.371 4.354 4.410 . 0 0 "[ . 1 ]" 1 1057 1 133 VAL H 1 133 VAL HB . . 4.200 2.587 2.514 2.657 . 0 0 "[ . 1 ]" 1 1058 1 133 VAL QG 1 134 SER H 5.000 . 5.000 2.204 1.969 2.473 . 0 0 "[ . 1 ]" 1 1059 1 132 LEU H 1 133 VAL QG 6.000 . 6.000 3.802 3.566 3.978 . 0 0 "[ . 1 ]" 1 1060 1 134 SER H 1 135 ILE H 4.500 . 4.500 4.450 4.411 4.476 . 0 0 "[ . 1 ]" 1 1061 1 133 VAL HA 1 134 SER H 3.800 . 3.800 2.188 2.167 2.207 . 0 0 "[ . 1 ]" 1 1062 1 133 VAL HB 1 134 SER H 6.000 . 6.000 4.157 4.047 4.266 . 0 0 "[ . 1 ]" 1 1063 1 132 LEU QD 1 134 SER H 7.000 . 7.000 4.068 3.671 5.738 . 0 0 "[ . 1 ]" 1 1064 1 133 VAL H 1 134 SER HA 5.000 . 5.000 4.833 4.779 4.889 . 0 0 "[ . 1 ]" 1 1065 1 134 SER QB 1 135 ILE HB 6.000 . 6.000 5.937 5.869 6.016 0.016 12 0 "[ . 1 ]" 1 1066 1 134 SER HA 1 135 ILE H 3.800 . 3.800 2.258 2.241 2.300 . 0 0 "[ . 1 ]" 1 1067 1 134 SER QB 1 135 ILE H 5.200 . 5.200 3.171 3.087 3.403 . 0 0 "[ . 1 ]" 1 1068 1 135 ILE H 1 136 VAL H 6.000 . 6.000 4.355 4.320 4.408 . 0 0 "[ . 1 ]" 1 1069 1 134 SER H 1 135 ILE HA 5.200 . 5.200 4.875 4.810 4.932 . 0 0 "[ . 1 ]" 1 1070 1 135 ILE HB 1 136 VAL H 6.000 . 6.000 2.993 2.540 3.436 . 0 0 "[ . 1 ]" 1 1071 1 134 SER HA 1 135 ILE HB 6.000 . 6.000 5.587 5.314 5.701 . 0 0 "[ . 1 ]" 1 1072 1 131 LYS QG 1 135 ILE MG 8.000 . 8.000 7.661 6.950 8.233 0.233 3 0 "[ . 1 ]" 1 1073 1 134 SER HA 1 135 ILE MG 6.000 . 6.000 4.173 3.447 4.910 . 0 0 "[ . 1 ]" 1 1074 1 133 VAL HA 1 135 ILE MG 6.000 . 6.000 5.116 4.629 5.823 . 0 0 "[ . 1 ]" 1 1075 1 135 ILE HA 1 136 VAL H 3.800 . 3.800 2.098 2.065 2.178 . 0 0 "[ . 1 ]" 1 1076 1 136 VAL H 1 136 VAL HB 3.800 . 3.800 3.551 2.845 3.803 0.003 5 0 "[ . 1 ]" 1 1077 1 136 VAL H 1 137 SER H 5.500 . 5.500 4.369 4.330 4.446 . 0 0 "[ . 1 ]" 1 1078 1 135 ILE HA 1 136 VAL QG 4.500 . 4.500 3.256 3.079 3.529 . 0 0 "[ . 1 ]" 1 1079 1 136 VAL HB 1 137 SER H . . 3.800 3.298 2.779 3.922 0.122 11 0 "[ . 1 ]" 1 1080 1 136 VAL HA 1 137 SER H 3.800 . 3.800 2.199 2.175 2.265 . 0 0 "[ . 1 ]" 1 1081 1 136 VAL QG 1 137 SER H 4.500 . 4.500 3.002 1.961 3.431 . 0 0 "[ . 1 ]" 1 1082 1 137 SER H 1 138 ASP H 5.200 . 5.200 4.588 4.493 4.631 . 0 0 "[ . 1 ]" 1 1083 1 137 SER H 1 140 LYS H 4.500 . 4.500 4.389 3.890 4.591 0.091 10 0 "[ . 1 ]" 1 1084 1 137 SER H 1 140 LYS QB 6.000 . 6.000 3.025 2.638 3.256 . 0 0 "[ . 1 ]" 1 1085 1 137 SER H 1 140 LYS QG 6.500 . 6.500 3.601 2.757 4.340 . 0 0 "[ . 1 ]" 1 1086 1 137 SER H 1 140 LYS QD 7.000 . 7.000 4.325 2.127 5.581 . 0 0 "[ . 1 ]" 1 1087 1 137 SER HA 1 138 ASP H . . 3.800 2.248 2.152 2.393 . 0 0 "[ . 1 ]" 1 1088 1 137 SER HA 1 140 LYS H 5.500 . 5.500 4.707 4.470 5.011 . 0 0 "[ . 1 ]" 1 1089 1 136 VAL HA 1 137 SER HA 5.500 . 5.500 4.317 4.281 4.341 . 0 0 "[ . 1 ]" 1 1090 1 137 SER HA 1 139 GLU H . . 5.500 4.349 4.102 4.574 . 0 0 "[ . 1 ]" 1 1091 1 137 SER HA 1 138 ASP QB 7.000 . 7.000 4.188 4.051 4.439 . 0 0 "[ . 1 ]" 1 1092 1 138 ASP H 1 139 GLU H 3.800 . 3.800 2.875 2.846 2.915 . 0 0 "[ . 1 ]" 1 1093 1 137 SER QB 1 138 ASP H 5.500 . 5.500 3.225 2.546 3.678 . 0 0 "[ . 1 ]" 1 1094 1 44 LYS QE 1 138 ASP H 8.000 . 8.000 5.912 4.076 7.291 . 0 0 "[ . 1 ]" 1 1095 1 136 VAL HA 1 138 ASP H 6.800 . 6.800 6.167 5.921 6.365 . 0 0 "[ . 1 ]" 1 1096 1 138 ASP H 1 140 LYS QG 6.500 . 6.500 6.027 5.260 6.567 0.067 12 0 "[ . 1 ]" 1 1097 1 138 ASP HA 1 141 PHE H 5.500 . 5.500 3.715 3.538 4.158 . 0 0 "[ . 1 ]" 1 1098 1 138 ASP HA 1 151 TRP HH2 10.800 . 10.800 4.908 4.768 5.430 . 0 0 "[ . 1 ]" 1 1099 1 138 ASP QB 1 139 GLU H 4.500 . 4.500 2.359 2.323 2.398 . 0 0 "[ . 1 ]" 1 1100 1 138 ASP QB 1 140 LYS H 4.500 . 4.500 4.744 4.705 4.845 0.345 4 0 "[ . 1 ]" 1 1101 1 139 GLU H 1 140 LYS H . . 3.800 2.897 2.857 2.927 . 0 0 "[ . 1 ]" 1 1102 1 138 ASP HA 1 139 GLU H 5.500 . 5.500 3.538 3.524 3.561 . 0 0 "[ . 1 ]" 1 1103 1 136 VAL QG 1 139 GLU H 7.500 . 7.500 5.983 4.952 6.474 . 0 0 "[ . 1 ]" 1 1104 1 139 GLU HA 1 140 LYS H 4.500 . 4.500 3.564 3.551 3.580 . 0 0 "[ . 1 ]" 1 1105 1 139 GLU QG 1 140 LYS H . . 5.200 3.819 1.901 4.419 . 0 0 "[ . 1 ]" 1 1106 1 140 LYS H 1 141 PHE H 4.500 . 4.500 2.808 2.767 2.924 . 0 0 "[ . 1 ]" 1 1107 1 140 LYS H 1 140 LYS QD 5.200 . 5.200 3.864 2.133 4.499 . 0 0 "[ . 1 ]" 1 1108 1 139 GLU QB 1 140 LYS H 5.200 . 5.200 2.584 2.356 3.227 . 0 0 "[ . 1 ]" 1 1109 1 138 ASP H 1 140 LYS H 5.500 . 5.500 4.456 4.379 4.640 . 0 0 "[ . 1 ]" 1 1110 1 138 ASP HA 1 140 LYS H 5.500 . 5.500 4.649 4.556 4.964 . 0 0 "[ . 1 ]" 1 1111 1 136 VAL HA 1 140 LYS H 6.500 . 6.500 6.311 5.702 6.625 0.125 7 0 "[ . 1 ]" 1 1112 1 136 VAL QG 1 140 LYS H 7.500 . 7.500 4.882 3.364 5.976 . 0 0 "[ . 1 ]" 1 1113 1 140 LYS HA 1 144 LEU H 4.500 . 4.500 4.548 4.401 4.611 0.111 10 0 "[ . 1 ]" 1 1114 1 140 LYS HA 1 143 GLU QG 6.000 . 6.000 4.365 3.650 5.087 . 0 0 "[ . 1 ]" 1 1115 1 140 LYS HA 1 141 PHE H . . 4.500 3.526 3.513 3.577 . 0 0 "[ . 1 ]" 1 1116 1 141 PHE H 1 142 LYS H 3.800 . 3.800 2.861 2.841 2.943 . 0 0 "[ . 1 ]" 1 1117 1 139 GLU QG 1 141 PHE H 6.500 . 6.500 5.626 4.255 6.140 . 0 0 "[ . 1 ]" 1 1118 1 140 LYS QD 1 141 PHE H 6.500 . 6.500 4.599 4.121 4.932 . 0 0 "[ . 1 ]" 1 1119 1 140 LYS QG 1 141 PHE H 6.500 . 6.500 4.091 3.224 4.389 . 0 0 "[ . 1 ]" 1 1120 1 139 GLU HA 1 141 PHE H 6.000 . 6.000 4.572 4.412 5.100 . 0 0 "[ . 1 ]" 1 1121 1 141 PHE H 1 142 LYS QG 6.500 . 6.500 5.340 4.031 6.462 . 0 0 "[ . 1 ]" 1 1122 1 141 PHE H 1 142 LYS QB 6.500 . 6.500 4.693 4.433 5.055 . 0 0 "[ . 1 ]" 1 1123 1 138 ASP H 1 141 PHE H 6.000 . 6.000 4.975 4.907 5.140 . 0 0 "[ . 1 ]" 1 1124 1 136 VAL QG 1 141 PHE H 8.000 . 8.000 3.719 2.132 5.029 . 0 0 "[ . 1 ]" 1 1125 1 139 GLU H 1 141 PHE H 6.000 . 6.000 4.363 4.259 4.719 . 0 0 "[ . 1 ]" 1 1126 1 141 PHE HA 1 142 LYS H . . 3.800 3.553 3.529 3.562 . 0 0 "[ . 1 ]" 1 1127 1 141 PHE HA 1 144 LEU HG 5.500 . 5.500 2.284 2.165 2.416 . 0 0 "[ . 1 ]" 1 1128 1 141 PHE HA 1 142 LYS QD 7.000 . 7.000 6.889 6.477 7.069 0.069 1 0 "[ . 1 ]" 1 1129 1 141 PHE HA 1 146 LEU QD 9.000 . 9.000 7.002 6.837 7.129 . 0 0 "[ . 1 ]" 1 1130 1 141 PHE QB 1 142 LYS H 6.500 . 6.500 2.418 2.400 2.460 . 0 0 "[ . 1 ]" 1 1131 1 139 GLU H 1 142 LYS H 5.500 . 5.500 4.810 4.753 5.010 . 0 0 "[ . 1 ]" 1 1132 1 142 LYS H 1 142 LYS QG . . 4.800 3.018 1.910 4.015 . 0 0 "[ . 1 ]" 1 1133 1 142 LYS H 1 142 LYS QE 5.500 . 5.500 3.937 2.553 5.350 . 0 0 "[ . 1 ]" 1 1134 1 142 LYS H 1 151 TRP HZ2 . . 7.000 4.008 3.323 5.603 . 0 0 "[ . 1 ]" 1 1135 1 142 LYS H 1 151 TRP HH2 . . 7.500 4.259 3.993 4.958 . 0 0 "[ . 1 ]" 1 1136 1 142 LYS HA 1 151 TRP HE1 . . 7.000 3.081 2.200 5.357 . 0 0 "[ . 1 ]" 1 1137 1 142 LYS HA 1 145 GLY H . . 4.500 4.259 4.120 4.399 . 0 0 "[ . 1 ]" 1 1138 1 142 LYS HA 1 146 LEU H . . 4.500 4.311 4.131 4.491 . 0 0 "[ . 1 ]" 1 1139 1 142 LYS HA 1 144 LEU QD 7.500 . 7.500 4.650 4.350 4.784 . 0 0 "[ . 1 ]" 1 1140 1 142 LYS QB 1 146 LEU HA 5.500 . 5.500 4.355 3.913 4.844 . 0 0 "[ . 1 ]" 1 1141 1 142 LYS QG 1 146 LEU HA 6.500 . 6.500 4.560 2.990 5.737 . 0 0 "[ . 1 ]" 1 1142 1 142 LYS QD 1 146 LEU HA 7.000 . 7.000 4.550 3.282 6.273 . 0 0 "[ . 1 ]" 1 1143 1 142 LYS QD 1 143 GLU HA 7.000 . 7.000 5.397 2.209 6.415 . 0 0 "[ . 1 ]" 1 1144 1 142 LYS QE 1 146 LEU HA 6.500 . 6.500 3.959 2.257 5.268 . 0 0 "[ . 1 ]" 1 1145 1 143 GLU H 1 143 GLU QG 4.500 . 4.500 3.621 3.089 4.044 . 0 0 "[ . 1 ]" 1 1146 1 140 LYS HA 1 143 GLU H 4.500 . 4.500 3.473 3.402 3.604 . 0 0 "[ . 1 ]" 1 1147 1 139 GLU QB 1 143 GLU H 5.200 . 5.200 4.990 4.881 5.212 0.012 4 0 "[ . 1 ]" 1 1148 1 141 PHE HA 1 143 GLU H 6.500 . 6.500 4.398 4.364 4.493 . 0 0 "[ . 1 ]" 1 1149 1 141 PHE H 1 143 GLU H 6.500 . 6.500 4.321 4.282 4.373 . 0 0 "[ . 1 ]" 1 1150 1 143 GLU H 1 144 LEU QD 6.500 . 6.500 4.374 4.313 4.540 . 0 0 "[ . 1 ]" 1 1151 1 143 GLU HA 1 145 GLY H 5.500 . 5.500 5.137 4.726 5.325 . 0 0 "[ . 1 ]" 1 1152 1 142 LYS HA 1 143 GLU HA 5.500 . 5.500 4.840 4.806 4.871 . 0 0 "[ . 1 ]" 1 1153 1 142 LYS QE 1 143 GLU HA 6.000 . 6.000 5.718 3.914 6.220 0.220 12 0 "[ . 1 ]" 1 1154 1 143 GLU QB 1 144 LEU HA 6.000 . 6.000 3.794 3.670 4.059 . 0 0 "[ . 1 ]" 1 1155 1 143 GLU QG 1 144 LEU HA 6.000 . 6.000 4.654 3.432 5.652 . 0 0 "[ . 1 ]" 1 1156 1 144 LEU H 1 145 GLY H 3.800 . 3.800 2.910 2.784 2.955 . 0 0 "[ . 1 ]" 1 1157 1 144 LEU H 1 146 LEU H 4.500 . 4.500 3.931 3.815 3.983 . 0 0 "[ . 1 ]" 1 1158 1 143 GLU QB 1 144 LEU H 4.500 . 4.500 2.274 2.047 2.505 . 0 0 "[ . 1 ]" 1 1159 1 144 LEU H 1 144 LEU HG 4.500 . 4.500 1.995 1.941 2.065 . 0 0 "[ . 1 ]" 1 1160 1 143 GLU HA 1 144 LEU H 4.500 . 4.500 3.599 3.577 3.606 . 0 0 "[ . 1 ]" 1 1161 1 141 PHE HA 1 144 LEU H 4.500 . 4.500 3.615 3.500 3.777 . 0 0 "[ . 1 ]" 1 1162 1 144 LEU H 1 146 LEU HG 5.500 . 5.500 5.127 4.594 5.526 0.026 3 0 "[ . 1 ]" 1 1163 1 144 LEU H 1 146 LEU QB 6.500 . 6.500 4.766 4.535 4.870 . 0 0 "[ . 1 ]" 1 1164 1 144 LEU H 1 146 LEU QD . . 6.000 4.550 4.330 4.652 . 0 0 "[ . 1 ]" 1 1165 1 142 LYS QE 1 144 LEU H 6.500 . 6.500 6.557 6.339 6.881 0.381 5 0 "[ . 1 ]" 1 1166 1 144 LEU HA 1 145 GLY H . . 4.200 3.527 3.522 3.542 . 0 0 "[ . 1 ]" 1 1167 1 144 LEU HA 1 146 LEU QD 8.500 . 8.500 3.969 3.824 4.096 . 0 0 "[ . 1 ]" 1 1168 1 144 LEU QB 1 145 GLY H . . 5.200 2.978 2.877 3.144 . 0 0 "[ . 1 ]" 1 1169 1 144 LEU QB 1 146 LEU QD 6.500 . 6.500 5.041 4.975 5.154 . 0 0 "[ . 1 ]" 1 1170 1 144 LEU HG 1 146 LEU QD 6.500 . 6.500 5.629 5.525 5.681 . 0 0 "[ . 1 ]" 1 1171 1 143 GLU H 1 144 LEU HG 6.000 . 6.000 4.159 3.971 4.332 . 0 0 "[ . 1 ]" 1 1172 1 143 GLU HA 1 144 LEU HG 6.000 . 6.000 5.276 5.179 5.419 . 0 0 "[ . 1 ]" 1 1173 1 143 GLU QB 1 144 LEU HG 6.500 . 6.500 3.984 3.770 4.207 . 0 0 "[ . 1 ]" 1 1174 1 145 GLY H 1 146 LEU H . . 3.800 2.782 2.580 2.888 . 0 0 "[ . 1 ]" 1 1175 1 143 GLU QB 1 145 GLY H 5.200 . 5.200 4.788 4.612 4.929 . 0 0 "[ . 1 ]" 1 1176 1 145 GLY H 1 146 LEU HA 5.200 . 5.200 4.769 4.613 4.856 . 0 0 "[ . 1 ]" 1 1177 1 144 LEU HG 1 145 GLY H 5.200 . 5.200 1.985 1.908 2.253 . 0 0 "[ . 1 ]" 1 1178 1 145 GLY H 1 146 LEU HG 5.200 . 5.200 4.717 4.373 5.115 . 0 0 "[ . 1 ]" 1 1179 1 141 PHE HA 1 145 GLY H 5.500 . 5.500 3.778 3.670 3.938 . 0 0 "[ . 1 ]" 1 1180 1 145 GLY H 1 146 LEU QD 7.500 . 7.500 4.866 4.712 4.995 . 0 0 "[ . 1 ]" 1 1181 1 144 LEU QD 1 145 GLY H 7.500 . 7.500 1.860 1.818 1.985 . 0 0 "[ . 1 ]" 1 1182 1 145 GLY QA 1 146 LEU H . . 3.800 2.918 2.908 2.927 . 0 0 "[ . 1 ]" 1 1183 1 146 LEU H 1 147 THR H 3.800 . 3.800 3.023 2.990 3.112 . 0 0 "[ . 1 ]" 1 1184 1 144 LEU QB 1 146 LEU H 4.500 . 4.500 4.554 4.496 4.658 0.158 9 0 "[ . 1 ]" 1 1185 1 146 LEU H 1 146 LEU HG 4.500 . 4.500 2.195 1.970 2.532 . 0 0 "[ . 1 ]" 1 1186 1 141 PHE HA 1 146 LEU H 6.000 . 6.000 6.110 6.056 6.172 0.172 9 0 "[ . 1 ]" 1 1187 1 142 LYS QB 1 146 LEU H 5.200 . 5.200 5.230 4.923 5.386 0.186 7 0 "[ . 1 ]" 1 1188 1 144 LEU QD 1 146 LEU H 7.200 . 7.200 4.113 3.923 4.205 . 0 0 "[ . 1 ]" 1 1189 1 146 LEU HA 1 147 THR H 3.800 . 3.800 3.415 3.306 3.450 . 0 0 "[ . 1 ]" 1 1190 1 142 LYS HA 1 146 LEU HA 6.000 . 6.000 3.592 3.415 3.944 . 0 0 "[ . 1 ]" 1 1191 1 146 LEU QB 1 147 THR H . . 4.500 3.786 3.717 3.953 . 0 0 "[ . 1 ]" 1 1192 1 146 LEU HG 1 147 THR H . . 4.500 3.185 2.868 3.362 . 0 0 "[ . 1 ]" 1 1193 1 146 LEU QD 1 147 THR H 5.500 . 5.500 2.562 2.240 3.270 . 0 0 "[ . 1 ]" 1 1194 1 145 GLY QA 1 146 LEU QD 6.000 . 6.000 4.312 4.130 4.600 . 0 0 "[ . 1 ]" 1 1195 1 147 THR H 1 147 THR MG 4.500 . 4.500 2.838 1.973 3.900 . 0 0 "[ . 1 ]" 1 1196 1 147 THR H 1 148 ALA H 4.500 . 4.500 3.216 3.046 3.495 . 0 0 "[ . 1 ]" 1 1197 1 147 THR H 1 148 ALA HA 5.500 . 5.500 4.783 4.670 5.024 . 0 0 "[ . 1 ]" 1 1198 1 147 THR H 1 147 THR HG1 5.000 . 5.000 3.813 2.007 4.333 . 0 0 "[ . 1 ]" 1 1199 1 147 THR HA 1 148 ALA H 3.800 . 3.800 2.423 2.375 2.509 . 0 0 "[ . 1 ]" 1 1200 1 147 THR HB 1 151 TRP HD1 8.500 . 8.500 5.701 5.543 5.956 . 0 0 "[ . 1 ]" 1 1201 1 147 THR MG 1 148 ALA H 4.500 . 4.500 3.995 3.784 4.340 . 0 0 "[ . 1 ]" 1 1202 1 147 THR MG 1 148 ALA HA 5.500 . 5.500 4.186 3.880 5.571 0.071 5 0 "[ . 1 ]" 1 1203 1 148 ALA H 1 151 TRP H 4.500 . 4.500 3.639 3.458 3.727 . 0 0 "[ . 1 ]" 1 1204 1 148 ALA H 1 149 PRO HA 5.500 . 5.500 5.153 5.047 5.324 . 0 0 "[ . 1 ]" 1 1205 1 148 ALA H 1 151 TRP QB 5.500 . 5.500 3.098 1.896 3.750 . 0 0 "[ . 1 ]" 1 1206 1 148 ALA H 1 151 TRP HD1 9.000 . 9.000 2.823 1.784 3.405 . 0 0 "[ . 1 ]" 1 1207 1 146 LEU HG 1 148 ALA H 6.500 . 6.500 6.079 5.840 6.208 . 0 0 "[ . 1 ]" 1 1208 1 147 THR HG1 1 148 ALA H 5.500 . 5.500 4.051 3.853 4.376 . 0 0 "[ . 1 ]" 1 1209 1 148 ALA MB 1 151 TRP H 4.800 . 4.800 3.090 2.528 3.395 . 0 0 "[ . 1 ]" 1 1210 1 147 THR HA 1 148 ALA MB 5.500 . 5.500 4.329 4.272 4.398 . 0 0 "[ . 1 ]" 1 1211 1 147 THR HG1 1 148 ALA MB 5.500 . 5.500 5.191 4.009 5.742 0.242 9 0 "[ . 1 ]" 1 1212 1 150 GLY H 1 151 TRP H 3.800 . 3.800 2.725 2.647 2.827 . 0 0 "[ . 1 ]" 1 1213 1 150 GLY H 1 153 GLU H 6.500 . 6.500 5.027 4.880 5.139 . 0 0 "[ . 1 ]" 1 1214 1 150 GLY H 1 151 TRP HA 6.000 . 6.000 5.310 5.252 5.389 . 0 0 "[ . 1 ]" 1 1215 1 150 GLY H 1 151 TRP QB 6.500 . 6.500 4.853 4.696 5.029 . 0 0 "[ . 1 ]" 1 1216 1 149 PRO HA 1 150 GLY H 4.500 . 4.500 3.464 3.382 3.562 . 0 0 "[ . 1 ]" 1 1217 1 150 GLY H 1 154 VAL QG 8.500 . 8.500 5.361 5.218 5.602 . 0 0 "[ . 1 ]" 1 1218 1 150 GLY H 1 154 VAL H 6.500 . 6.500 6.074 5.983 6.159 . 0 0 "[ . 1 ]" 1 1219 1 150 GLY H 1 151 TRP HH2 7.500 . 7.500 7.578 7.370 7.779 0.279 4 0 "[ . 1 ]" 1 1220 1 149 PRO QB 1 150 GLY H 7.500 . 7.500 3.212 2.435 3.626 . 0 0 "[ . 1 ]" 1 1221 1 150 GLY QA 1 153 GLU H 5.500 . 5.500 4.010 3.847 4.179 . 0 0 "[ . 1 ]" 1 1222 1 150 GLY QA 1 151 TRP H 4.500 . 4.500 2.645 2.621 2.663 . 0 0 "[ . 1 ]" 1 1223 1 151 TRP H 1 153 GLU H 5.500 . 5.500 4.497 4.383 4.639 . 0 0 "[ . 1 ]" 1 1224 1 151 TRP H 1 152 ASP QB 6.000 . 6.000 4.375 4.276 4.624 . 0 0 "[ . 1 ]" 1 1225 1 151 TRP H 1 154 VAL HB 6.000 . 6.000 5.186 4.914 5.435 . 0 0 "[ . 1 ]" 1 1226 1 151 TRP H 1 152 ASP HA 5.000 . 5.000 5.216 5.169 5.261 0.261 10 0 "[ . 1 ]" 1 1227 1 151 TRP H 1 151 TRP HZ3 7.500 . 7.500 5.460 5.070 6.128 . 0 0 "[ . 1 ]" 1 1228 1 147 THR HA 1 151 TRP H 6.000 . 6.000 5.763 5.566 6.002 0.002 5 0 "[ . 1 ]" 1 1229 1 151 TRP H 1 154 VAL QG 6.500 . 6.500 4.541 4.379 4.819 . 0 0 "[ . 1 ]" 1 1230 1 151 TRP H 1 155 VAL QG 7.500 . 7.500 5.189 4.712 5.375 . 0 0 "[ . 1 ]" 1 1231 1 149 PRO QB 1 151 TRP H 6.000 . 6.000 5.259 4.801 5.521 . 0 0 "[ . 1 ]" 1 1232 1 147 THR HG1 1 151 TRP H 7.000 . 7.000 7.321 7.217 7.448 0.448 1 0 "[ . 1 ]" 1 1233 1 147 THR HG1 1 151 TRP QB 6.000 . 6.000 5.718 4.711 6.118 0.118 11 0 "[ . 1 ]" 1 1234 1 149 PRO QG 1 151 TRP QB 7.000 . 7.000 6.830 6.596 7.043 0.043 5 0 "[ . 1 ]" 1 1235 1 152 ASP H 1 153 GLU H 3.800 . 3.800 2.962 2.865 3.028 . 0 0 "[ . 1 ]" 1 1236 1 151 TRP QB 1 152 ASP H 4.500 . 4.500 2.467 2.397 2.497 . 0 0 "[ . 1 ]" 1 1237 1 152 ASP H 1 154 VAL H 4.500 . 4.500 4.625 4.575 4.655 0.155 6 0 "[ . 1 ]" 1 1238 1 151 TRP HA 1 152 ASP H 4.500 . 4.500 3.522 3.511 3.530 . 0 0 "[ . 1 ]" 1 1239 1 152 ASP H 1 155 VAL QG 5.200 . 5.200 5.123 4.763 5.231 0.031 7 0 "[ . 1 ]" 1 1240 1 152 ASP H 1 157 LYS H 6.000 . 6.000 6.205 6.184 6.222 0.222 2 0 "[ . 1 ]" 1 1241 1 152 ASP H 1 153 GLU QG 6.000 . 6.000 4.911 3.874 6.236 0.236 1 0 "[ . 1 ]" 1 1242 1 152 ASP H 1 154 VAL HB 6.000 . 6.000 5.513 5.354 5.805 . 0 0 "[ . 1 ]" 1 1243 1 151 TRP HE1 1 152 ASP H 8.000 . 8.000 6.669 5.733 7.105 . 0 0 "[ . 1 ]" 1 1244 1 151 TRP HH2 1 152 ASP H 8.500 . 8.500 8.670 8.585 8.821 0.321 9 0 "[ . 1 ]" 1 1245 1 149 PRO QG 1 152 ASP H 6.000 . 6.000 6.013 5.787 6.117 0.117 1 0 "[ . 1 ]" 1 1246 1 151 TRP HZ3 1 152 ASP H 8.000 . 8.000 7.475 7.185 8.050 0.050 4 0 "[ . 1 ]" 1 1247 1 152 ASP HA 1 155 VAL QG 5.500 . 5.500 4.666 4.522 4.726 . 0 0 "[ . 1 ]" 1 1248 1 152 ASP HA 1 153 GLU H 5.500 . 5.500 3.552 3.530 3.565 . 0 0 "[ . 1 ]" 1 1249 1 152 ASP HA 1 154 VAL H 6.000 . 6.000 5.151 5.076 5.220 . 0 0 "[ . 1 ]" 1 1250 1 152 ASP HA 1 155 VAL HB 6.000 . 6.000 4.365 4.156 4.443 . 0 0 "[ . 1 ]" 1 1251 1 152 ASP QB 1 153 GLU H . . 5.200 2.235 2.136 2.321 . 0 0 "[ . 1 ]" 1 1252 1 152 ASP QB 1 155 VAL QG 7.000 . 7.000 5.708 5.583 5.762 . 0 0 "[ . 1 ]" 1 1253 1 153 GLU H 1 154 VAL H 3.800 . 3.800 2.940 2.860 3.023 . 0 0 "[ . 1 ]" 1 1254 1 153 GLU H 1 155 VAL H 5.700 . 5.700 4.984 4.910 5.041 . 0 0 "[ . 1 ]" 1 1255 1 153 GLU H 1 154 VAL HA 6.500 . 6.500 5.464 5.408 5.517 . 0 0 "[ . 1 ]" 1 1256 1 153 GLU H 1 156 GLY QA 5.500 . 5.500 5.454 5.349 5.492 . 0 0 "[ . 1 ]" 1 1257 1 153 GLU H 1 155 VAL HB 6.000 . 6.000 6.044 5.859 6.112 0.112 8 0 "[ . 1 ]" 1 1258 1 153 GLU H 1 155 VAL QG 6.500 . 6.500 5.741 5.545 5.837 . 0 0 "[ . 1 ]" 1 1259 1 153 GLU H 1 154 VAL QG 6.500 . 6.500 4.237 4.133 4.473 . 0 0 "[ . 1 ]" 1 1260 1 153 GLU HA 1 155 VAL H 5.500 . 5.500 5.464 5.376 5.629 0.129 5 0 "[ . 1 ]" 1 1261 1 153 GLU QB 1 154 VAL H 5.200 . 5.200 2.641 2.069 3.137 . 0 0 "[ . 1 ]" 1 1262 1 150 GLY QA 1 153 GLU QB 5.800 . 5.800 3.912 3.248 4.471 . 0 0 "[ . 1 ]" 1 1263 1 152 ASP H 1 153 GLU QB 6.000 . 6.000 4.973 4.516 5.409 . 0 0 "[ . 1 ]" 1 1264 1 153 GLU QB 1 154 VAL QG 6.500 . 6.500 3.232 2.648 3.623 . 0 0 "[ . 1 ]" 1 1265 1 153 GLU QG 1 155 VAL H . . 6.000 5.213 4.530 6.198 0.198 1 0 "[ . 1 ]" 1 1266 1 154 VAL H 1 155 VAL H 3.800 . 3.800 3.172 3.069 3.215 . 0 0 "[ . 1 ]" 1 1267 1 153 GLU HA 1 154 VAL H 3.800 . 3.800 3.571 3.553 3.586 . 0 0 "[ . 1 ]" 1 1268 1 154 VAL H 1 154 VAL HB 3.800 . 3.800 2.595 2.432 2.661 . 0 0 "[ . 1 ]" 1 1269 1 154 VAL H 1 155 VAL QG 5.500 . 5.500 4.579 4.386 4.694 . 0 0 "[ . 1 ]" 1 1270 1 153 GLU QG 1 154 VAL H 5.200 . 5.200 2.633 1.861 3.891 . 0 0 "[ . 1 ]" 1 1271 1 154 VAL H 1 155 VAL HB 5.500 . 5.500 5.213 5.064 5.276 . 0 0 "[ . 1 ]" 1 1272 1 151 TRP HA 1 154 VAL H 4.500 . 4.500 3.873 3.683 3.983 . 0 0 "[ . 1 ]" 1 1273 1 151 TRP HZ3 1 154 VAL H 8.500 . 8.500 6.860 6.024 8.516 0.016 4 0 "[ . 1 ]" 1 1274 1 154 VAL H 1 158 GLY QA 6.500 . 6.500 5.838 5.424 6.513 0.013 3 0 "[ . 1 ]" 1 1275 1 154 VAL HA 1 155 VAL HB 5.500 . 5.500 5.812 5.786 5.859 0.359 4 0 "[ . 1 ]" 1 1276 1 154 VAL HA 1 155 VAL H 5.500 . 5.500 3.517 3.507 3.525 . 0 0 "[ . 1 ]" 1 1277 1 154 VAL HB 1 155 VAL HB 4.800 . 4.800 4.138 4.033 4.342 . 0 0 "[ . 1 ]" 1 1278 1 154 VAL HB 1 155 VAL QG 5.800 . 5.800 2.856 2.628 2.982 . 0 0 "[ . 1 ]" 1 1279 1 154 VAL HB 1 155 VAL H . . 4.500 1.957 1.920 2.042 . 0 0 "[ . 1 ]" 1 1280 1 153 GLU H 1 154 VAL HB 5.500 . 5.500 5.087 4.938 5.299 . 0 0 "[ . 1 ]" 1 1281 1 151 TRP HZ3 1 154 VAL HB 8.500 . 8.500 5.059 4.335 6.732 . 0 0 "[ . 1 ]" 1 1282 1 154 VAL QG 1 155 VAL HB 5.800 . 5.800 4.242 4.077 4.478 . 0 0 "[ . 1 ]" 1 1283 1 154 VAL QG 1 155 VAL H . . 5.500 2.704 2.473 2.815 . 0 0 "[ . 1 ]" 1 1284 1 151 TRP HE1 1 154 VAL QG 8.500 . 8.500 7.063 6.793 7.438 . 0 0 "[ . 1 ]" 1 1285 1 151 TRP HA 1 154 VAL QG 6.000 . 6.000 3.376 3.141 3.701 . 0 0 "[ . 1 ]" 1 1286 1 152 ASP H 1 154 VAL QG 6.000 . 6.000 5.125 5.017 5.359 . 0 0 "[ . 1 ]" 1 1287 1 151 TRP HZ3 1 154 VAL QG 8.500 . 8.500 3.918 3.149 5.803 . 0 0 "[ . 1 ]" 1 1288 1 151 TRP HD1 1 154 VAL QG 8.500 . 8.500 6.698 6.489 6.939 . 0 0 "[ . 1 ]" 1 1289 1 154 VAL QG 1 155 VAL QG . . 7.000 2.482 2.048 2.723 . 0 0 "[ . 1 ]" 1 1290 1 155 VAL H 1 156 GLY H 3.800 . 3.800 2.864 2.825 2.952 . 0 0 "[ . 1 ]" 1 1291 1 152 ASP H 1 155 VAL H 5.500 . 5.500 5.184 5.103 5.223 . 0 0 "[ . 1 ]" 1 1292 1 152 ASP QB 1 155 VAL H 6.000 . 6.000 5.916 5.859 5.987 . 0 0 "[ . 1 ]" 1 1293 1 155 VAL H 1 156 GLY QA 4.500 . 4.500 4.653 4.617 4.736 0.236 5 0 "[ . 1 ]" 1 1294 1 155 VAL HA 1 156 GLY H . . 3.800 3.579 3.571 3.586 . 0 0 "[ . 1 ]" 1 1295 1 154 VAL QG 1 155 VAL HA 6.500 . 6.500 3.216 3.021 3.342 . 0 0 "[ . 1 ]" 1 1296 1 155 VAL HB 1 156 GLY H . . 5.000 2.225 2.169 2.324 . 0 0 "[ . 1 ]" 1 1297 1 151 TRP HE1 1 155 VAL QG 6.500 . 6.500 6.371 6.188 6.620 0.120 9 0 "[ . 1 ]" 1 1298 1 155 VAL QG 1 156 GLY H 5.500 . 5.500 2.879 2.808 3.068 . 0 0 "[ . 1 ]" 1 1299 1 151 TRP HA 1 155 VAL QG 6.500 . 6.500 2.874 2.373 3.135 . 0 0 "[ . 1 ]" 1 1300 1 154 VAL HA 1 155 VAL QG 6.000 . 6.000 4.586 4.489 4.652 . 0 0 "[ . 1 ]" 1 1301 1 153 GLU QB 1 155 VAL QG 8.000 . 8.000 6.037 5.729 6.330 . 0 0 "[ . 1 ]" 1 1302 1 151 TRP HH2 1 155 VAL QG 6.000 . 6.000 6.098 6.040 6.205 0.205 5 0 "[ . 1 ]" 1 1303 1 152 ASP HA 1 156 GLY H 4.500 . 4.500 3.248 3.166 3.300 . 0 0 "[ . 1 ]" 1 1304 1 153 GLU HA 1 156 GLY H 5.000 . 5.000 4.974 4.862 5.022 0.022 5 0 "[ . 1 ]" 1 1305 1 154 VAL HB 1 156 GLY H 5.500 . 5.500 4.704 4.630 4.765 . 0 0 "[ . 1 ]" 1 1306 1 154 VAL QG 1 156 GLY H 7.000 . 7.000 4.697 4.543 4.786 . 0 0 "[ . 1 ]" 1 1307 1 152 ASP H 1 156 GLY H 6.000 . 6.000 5.009 4.832 5.090 . 0 0 "[ . 1 ]" 1 1308 1 154 VAL H 1 156 GLY H 6.000 . 6.000 4.664 4.487 4.791 . 0 0 "[ . 1 ]" 1 1309 1 152 ASP QB 1 156 GLY H . . 6.000 5.023 4.848 5.115 . 0 0 "[ . 1 ]" 1 1310 1 155 VAL QG 1 156 GLY QA 6.000 . 6.000 3.072 2.987 3.301 . 0 0 "[ . 1 ]" 1 1311 1 155 VAL HB 1 156 GLY QA 5.200 . 5.200 3.802 3.725 3.864 . 0 0 "[ . 1 ]" 1 1312 1 153 GLU QB 1 156 GLY H 6.000 . 6.000 5.860 5.697 6.026 0.026 8 0 "[ . 1 ]" 1 1313 1 156 GLY QA 1 157 LYS H 4.500 . 4.500 2.488 2.476 2.514 . 0 0 "[ . 1 ]" 1 1314 1 157 LYS H 1 158 GLY QA 4.500 . 4.500 4.486 4.431 4.551 0.051 3 0 "[ . 1 ]" 1 1315 1 157 LYS H 1 157 LYS QG 3.800 . 3.800 3.405 1.937 3.812 0.012 8 0 "[ . 1 ]" 1 1316 1 155 VAL QG 1 157 LYS H 5.500 . 5.500 4.872 4.829 4.978 . 0 0 "[ . 1 ]" 1 1317 1 157 LYS H 1 158 GLY H . . 3.800 2.815 2.721 2.951 . 0 0 "[ . 1 ]" 1 1318 1 155 VAL HB 1 157 LYS H 5.200 . 5.200 5.130 5.088 5.189 . 0 0 "[ . 1 ]" 1 1319 1 154 VAL HB 1 157 LYS H 6.000 . 6.000 6.000 5.959 6.039 0.039 4 0 "[ . 1 ]" 1 1320 1 155 VAL H 1 157 LYS H 6.000 . 6.000 4.668 4.601 4.774 . 0 0 "[ . 1 ]" 1 1321 1 157 LYS H 1 157 LYS QE 7.000 . 7.000 5.184 3.872 6.011 . 0 0 "[ . 1 ]" 1 1322 1 157 LYS HA 1 158 GLY H 3.800 . 3.800 3.567 3.561 3.578 . 0 0 "[ . 1 ]" 1 1323 1 157 LYS QB 1 158 GLY H 5.200 . 5.200 2.300 1.977 2.437 . 0 0 "[ . 1 ]" 1 1324 1 157 LYS QG 1 158 GLY H 5.200 . 5.200 4.082 3.722 4.351 . 0 0 "[ . 1 ]" 1 1325 1 158 GLY H 1 159 LYS H . . 4.500 2.505 2.271 2.728 . 0 0 "[ . 1 ]" 1 1326 1 155 VAL QG 1 158 GLY H 7.200 . 7.200 5.103 4.862 5.499 . 0 0 "[ . 1 ]" 1 1327 1 158 GLY QA 1 159 LYS H . . 4.500 2.593 2.558 2.809 . 0 0 "[ . 1 ]" 1 1328 1 157 LYS QB 1 158 GLY QA 6.500 . 6.500 3.773 3.680 3.848 . 0 0 "[ . 1 ]" 1 1329 1 155 VAL QG 1 158 GLY QA 7.000 . 7.000 4.728 4.577 4.923 . 0 0 "[ . 1 ]" 1 1330 1 154 VAL QG 1 158 GLY QA 6.000 . 6.000 3.975 3.621 4.441 . 0 0 "[ . 1 ]" 1 1331 1 157 LYS HA 1 158 GLY QA 5.500 . 5.500 4.330 4.255 4.462 . 0 0 "[ . 1 ]" 1 1332 1 159 LYS H 1 159 LYS QG 4.500 . 4.500 3.357 1.974 4.041 . 0 0 "[ . 1 ]" 1 1333 1 159 LYS H 1 160 GLU H 4.500 . 4.500 2.791 2.289 3.069 . 0 0 "[ . 1 ]" 1 1334 1 155 VAL QG 1 159 LYS H 7.000 . 7.000 6.132 5.163 7.017 0.017 1 0 "[ . 1 ]" 1 1335 1 158 GLY QA 1 160 GLU H 4.500 . 4.500 3.198 3.055 3.494 . 0 0 "[ . 1 ]" 1 1336 1 159 LYS QB 1 160 GLU H 5.200 . 5.200 3.471 2.846 4.047 . 0 0 "[ . 1 ]" 1 1337 1 159 LYS QG 1 160 GLU H 5.200 . 5.200 4.316 3.815 4.592 . 0 0 "[ . 1 ]" 1 1338 1 160 GLU H 1 163 SER HA 5.500 . 5.500 5.332 4.571 5.521 0.021 8 0 "[ . 1 ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 217 _Distance_constraint_stats_list.Viol_count 204 _Distance_constraint_stats_list.Viol_total 679.788 _Distance_constraint_stats_list.Viol_max 1.030 _Distance_constraint_stats_list.Viol_rms 0.0945 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0218 _Distance_constraint_stats_list.Viol_average_violations_only 0.2777 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 32 PHE 0.000 0.000 . 0 "[ . 1 ]" 1 37 SER 0.000 0.000 . 0 "[ . 1 ]" 1 39 ARG 0.000 0.000 . 0 "[ . 1 ]" 1 40 VAL 1.540 0.235 1 0 "[ . 1 ]" 1 41 THR 1.259 0.205 5 0 "[ . 1 ]" 1 42 LEU 4.285 0.419 2 0 "[ . 1 ]" 1 44 LYS 1.539 0.176 4 0 "[ . 1 ]" 1 45 SER 2.485 0.287 11 0 "[ . 1 ]" 1 48 TYR 0.000 0.000 . 0 "[ . 1 ]" 1 49 ASP 4.027 0.415 10 0 "[ . 1 ]" 1 50 LYS 3.506 0.461 8 0 "[ . 1 ]" 1 51 THR 0.169 0.098 5 0 "[ . 1 ]" 1 52 PHE 0.000 0.000 . 0 "[ . 1 ]" 1 53 SER 4.971 0.479 2 0 "[ . 1 ]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 55 VAL 0.000 0.000 . 0 "[ . 1 ]" 1 56 LEU 2.323 0.305 9 0 "[ . 1 ]" 1 57 TRP 1.328 0.164 6 0 "[ . 1 ]" 1 59 ALA 0.000 0.000 . 0 "[ . 1 ]" 1 60 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 62 VAL 0.000 0.000 . 0 "[ . 1 ]" 1 64 SER 2.323 0.305 9 0 "[ . 1 ]" 1 67 GLU 0.000 0.000 . 0 "[ . 1 ]" 1 68 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 69 GLN 4.971 0.479 2 0 "[ . 1 ]" 1 70 ARG 0.000 0.000 . 0 "[ . 1 ]" 1 71 ILE 0.000 0.000 . 0 "[ . 1 ]" 1 72 ILE 1.328 0.164 6 0 "[ . 1 ]" 1 73 ASN 0.000 0.000 . 0 "[ . 1 ]" 1 74 ASN 0.000 0.000 . 0 "[ . 1 ]" 1 76 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 77 ALA 0.816 0.187 9 0 "[ . 1 ]" 1 78 TYR 9.581 0.937 12 9 "[* *-.* ****+]" 1 79 VAL 0.000 0.000 . 0 "[ . 1 ]" 1 80 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 81 SER 0.000 0.000 . 0 "[ . 1 ]" 1 82 ARG 0.000 0.000 . 0 "[ . 1 ]" 1 96 ASP 0.000 0.000 . 0 "[ . 1 ]" 1 98 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 99 THR 0.000 0.000 . 0 "[ . 1 ]" 1 100 PHE 0.000 0.000 . 0 "[ . 1 ]" 1 101 THR 5.563 0.937 12 7 "[ * .* **-*+]" 1 102 PRO 0.816 0.187 9 0 "[ . 1 ]" 1 103 ILE 2.873 0.428 1 0 "[ . 1 ]" 1 104 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 105 THR 0.000 0.000 . 0 "[ . 1 ]" 1 106 TRP 0.000 0.000 . 0 "[ . 1 ]" 1 108 ALA 0.000 0.000 . 0 "[ . 1 ]" 1 110 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 111 THR 3.506 0.461 8 0 "[ . 1 ]" 1 112 GLN 4.027 0.415 10 0 "[ . 1 ]" 1 113 GLU 0.000 0.000 . 0 "[ . 1 ]" 1 114 PHE 0.000 0.000 . 0 "[ . 1 ]" 1 115 ILE 9.693 1.030 9 11 "[** -****+***]" 1 116 ILE 4.410 0.449 8 0 "[ . 1 ]" 1 118 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 119 ASP 0.000 0.000 . 0 "[ . 1 ]" 1 120 LEU 9.693 1.030 9 11 "[** -****+***]" 1 121 LEU 4.410 0.449 8 0 "[ . 1 ]" 1 123 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 124 LYS 1.314 0.809 1 2 "[+ -. 1 ]" 1 125 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 126 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 127 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 128 TRP 0.000 0.000 . 0 "[ . 1 ]" 1 130 MET 0.000 0.000 . 0 "[ . 1 ]" 1 131 LYS 0.129 0.090 5 0 "[ . 1 ]" 1 132 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 133 VAL 0.000 0.000 . 0 "[ . 1 ]" 1 134 SER 1.410 0.235 1 0 "[ . 1 ]" 1 135 ILE 1.479 0.176 4 0 "[ . 1 ]" 1 136 VAL 8.030 0.419 2 0 "[ . 1 ]" 1 137 SER 0.000 0.000 . 0 "[ . 1 ]" 1 138 ASP 1.328 0.284 4 0 "[ . 1 ]" 1 139 GLU 3.449 0.428 8 0 "[ . 1 ]" 1 141 PHE 0.000 0.000 . 0 "[ . 1 ]" 1 142 LYS 0.000 0.000 . 0 "[ . 1 ]" 1 144 LEU 0.000 0.000 . 0 "[ . 1 ]" 1 151 TRP 4.717 0.428 8 0 "[ . 1 ]" 1 154 VAL 0.000 0.000 . 0 "[ . 1 ]" 1 155 VAL 0.000 0.000 . 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 32 PHE QB 1 132 LEU QD 7.500 . 7.500 4.610 2.443 5.011 . 0 0 "[ . 1 ]" 2 2 1 40 VAL QG 1 59 ALA HA . . 5.500 3.809 3.476 4.093 . 0 0 "[ . 1 ]" 2 3 1 40 VAL QG 1 134 SER H . . 4.700 4.503 3.548 4.935 0.235 1 0 "[ . 1 ]" 2 4 1 40 VAL QG 1 133 VAL H . . 7.000 5.580 4.333 6.385 . 0 0 "[ . 1 ]" 2 5 1 40 VAL H 1 131 LYS QE 7.000 . 7.000 4.693 3.192 5.910 . 0 0 "[ . 1 ]" 2 6 1 44 LYS H 1 138 ASP H . . 5.500 4.914 4.424 5.560 0.060 5 0 "[ . 1 ]" 2 7 1 44 LYS H 1 136 VAL H . . 5.500 2.722 2.575 2.901 . 0 0 "[ . 1 ]" 2 8 1 44 LYS H 1 136 VAL HA 6.000 . 6.000 4.378 4.274 4.500 . 0 0 "[ . 1 ]" 2 9 1 44 LYS H 1 135 ILE H 6.000 . 6.000 6.123 6.083 6.176 0.176 4 0 "[ . 1 ]" 2 10 1 44 LYS QB 1 136 VAL HA 7.000 . 7.000 2.761 2.575 3.014 . 0 0 "[ . 1 ]" 2 11 1 44 LYS QB 1 137 SER HA 7.000 . 7.000 2.386 2.101 2.758 . 0 0 "[ . 1 ]" 2 12 1 44 LYS QB 1 138 ASP H . . 6.500 4.321 3.984 4.633 . 0 0 "[ . 1 ]" 2 13 1 44 LYS QD 1 138 ASP H 7.000 . 7.000 5.374 4.179 6.242 . 0 0 "[ . 1 ]" 2 14 1 44 LYS QG 1 137 SER HA 7.000 . 7.000 4.378 4.043 4.946 . 0 0 "[ . 1 ]" 2 15 1 44 LYS QD 1 137 SER HA 6.000 . 6.000 3.466 2.652 4.296 . 0 0 "[ . 1 ]" 2 16 1 45 SER H 1 136 VAL HA 6.000 . 6.000 6.207 6.149 6.287 0.287 11 0 "[ . 1 ]" 2 17 1 45 SER H 1 138 ASP H 6.000 . 6.000 4.163 3.425 4.925 . 0 0 "[ . 1 ]" 2 18 1 45 SER H 1 138 ASP QB 7.000 . 7.000 5.192 3.946 6.065 . 0 0 "[ . 1 ]" 2 19 1 48 TYR QE 1 111 THR HG1 8.000 . 8.000 7.037 5.933 7.210 . 0 0 "[ . 1 ]" 2 20 1 48 TYR QD 1 111 THR HG1 8.000 . 8.000 5.360 4.679 5.755 . 0 0 "[ . 1 ]" 2 21 1 49 ASP H 1 112 GLN H . . 6.000 6.336 6.248 6.415 0.415 10 0 "[ . 1 ]" 2 22 1 49 ASP H 1 111 THR MG 7.000 . 7.000 3.840 3.501 4.129 . 0 0 "[ . 1 ]" 2 23 1 49 ASP H 1 111 THR HB 7.000 . 7.000 5.680 5.404 5.984 . 0 0 "[ . 1 ]" 2 24 1 50 LYS H 1 111 THR HB 7.500 . 7.500 4.277 4.120 4.536 . 0 0 "[ . 1 ]" 2 25 1 50 LYS H 1 111 THR MG 7.500 . 7.500 3.516 3.170 3.819 . 0 0 "[ . 1 ]" 2 26 1 50 LYS H 1 111 THR HA . . 6.000 6.292 6.156 6.461 0.461 8 0 "[ . 1 ]" 2 27 1 51 THR HA 1 101 THR HG1 7.500 . 7.500 7.224 6.458 7.598 0.098 5 0 "[ . 1 ]" 2 28 1 51 THR H 1 111 THR HB 7.000 . 7.000 2.626 2.474 2.922 . 0 0 "[ . 1 ]" 2 29 1 52 PHE QB 1 103 ILE HB 7.000 . 7.000 5.911 5.671 6.330 . 0 0 "[ . 1 ]" 2 30 1 52 PHE QB 1 103 ILE QG 7.500 . 7.500 4.441 4.282 4.678 . 0 0 "[ . 1 ]" 2 31 1 52 PHE QB 1 103 ILE MG 7.500 . 7.500 5.810 5.685 5.898 . 0 0 "[ . 1 ]" 2 32 1 53 SER H 1 69 GLN H 6.000 . 6.000 6.414 6.317 6.479 0.479 2 0 "[ . 1 ]" 2 33 1 53 SER H 1 72 ILE QG 7.500 . 7.500 3.532 3.195 3.926 . 0 0 "[ . 1 ]" 2 34 1 54 LYS H 1 72 ILE QG . . 7.500 6.082 5.757 6.495 . 0 0 "[ . 1 ]" 2 35 1 55 VAL QG 1 134 SER H 8.500 . 8.500 5.762 5.321 6.151 . 0 0 "[ . 1 ]" 2 36 1 55 VAL QG 1 133 VAL HA 8.000 . 8.000 4.844 4.406 5.243 . 0 0 "[ . 1 ]" 2 37 1 55 VAL QG 1 59 ALA HA 8.500 . 8.500 5.135 5.035 5.256 . 0 0 "[ . 1 ]" 2 38 1 56 LEU HG 1 123 LEU QB 7.500 . 7.500 5.806 5.475 5.975 . 0 0 "[ . 1 ]" 2 39 1 56 LEU HG 1 64 SER H 6.000 . 6.000 6.194 6.119 6.305 0.305 9 0 "[ . 1 ]" 2 40 1 56 LEU HG 1 72 ILE MG 8.500 . 8.500 6.578 6.266 7.027 . 0 0 "[ . 1 ]" 2 41 1 56 LEU QD 1 72 ILE MG 8.500 . 8.500 4.030 3.745 4.402 . 0 0 "[ . 1 ]" 2 42 1 56 LEU QD 1 123 LEU QB 7.500 . 7.500 4.255 3.888 4.493 . 0 0 "[ . 1 ]" 2 43 1 56 LEU QD 1 72 ILE H 7.500 . 7.500 4.013 3.777 4.178 . 0 0 "[ . 1 ]" 2 44 1 56 LEU QD 1 71 ILE H 7.500 . 7.500 4.581 4.355 4.742 . 0 0 "[ . 1 ]" 2 45 1 57 TRP H 1 72 ILE MD 7.500 . 7.500 5.542 5.314 5.859 . 0 0 "[ . 1 ]" 2 46 1 40 VAL QG 1 60 GLY H 8.500 . 8.500 3.313 2.382 3.881 . 0 0 "[ . 1 ]" 2 47 1 60 GLY H 1 131 LYS QE 7.500 . 7.500 2.335 1.446 3.494 . 0 0 "[ . 1 ]" 2 48 1 61 LEU H 1 125 LEU QD 8.000 . 8.000 5.718 5.583 6.016 . 0 0 "[ . 1 ]" 2 49 1 61 LEU QB 1 125 LEU QD 8.000 . 8.000 4.044 3.767 5.321 . 0 0 "[ . 1 ]" 2 50 1 40 VAL H 1 61 LEU QD 7.500 . 7.500 5.575 4.945 5.736 . 0 0 "[ . 1 ]" 2 51 1 61 LEU QD 1 130 MET HA 7.000 . 7.000 4.548 3.990 5.203 . 0 0 "[ . 1 ]" 2 52 1 61 LEU QD 1 131 LYS H 6.500 . 6.500 4.112 3.682 4.836 . 0 0 "[ . 1 ]" 2 53 1 61 LEU QD 1 132 LEU H 6.500 . 6.500 4.498 4.041 4.857 . 0 0 "[ . 1 ]" 2 54 1 39 ARG HA 1 61 LEU QD 7.500 . 7.500 5.131 4.682 5.416 . 0 0 "[ . 1 ]" 2 55 1 61 LEU QD 1 131 LYS QE 8.000 . 8.000 2.871 1.799 3.864 . 0 0 "[ . 1 ]" 2 56 1 62 VAL H 1 125 LEU QD 7.500 . 7.500 5.662 5.625 5.688 . 0 0 "[ . 1 ]" 2 57 1 62 VAL QG 1 128 TRP HZ3 10.500 . 10.500 4.975 3.779 7.282 . 0 0 "[ . 1 ]" 2 58 1 57 TRP HA 1 64 SER H 6.000 . 6.000 3.417 3.265 3.792 . 0 0 "[ . 1 ]" 2 59 1 57 TRP HD1 1 64 SER HA 8.000 . 8.000 5.509 5.026 6.221 . 0 0 "[ . 1 ]" 2 60 1 57 TRP HE1 1 64 SER HA 8.000 . 8.000 7.342 6.794 7.987 . 0 0 "[ . 1 ]" 2 61 1 57 TRP QB 1 68 GLY H 6.500 . 6.500 3.545 3.377 3.885 . 0 0 "[ . 1 ]" 2 62 1 71 ILE H 1 127 LYS QD 6.500 . 6.500 5.314 4.637 5.848 . 0 0 "[ . 1 ]" 2 63 1 71 ILE HB 1 127 LYS QD 6.500 . 6.500 4.644 3.650 5.552 . 0 0 "[ . 1 ]" 2 64 1 71 ILE HB 1 77 ALA MB 6.500 . 6.500 4.255 3.820 4.545 . 0 0 "[ . 1 ]" 2 65 1 71 ILE MG 1 125 LEU HA 6.000 . 6.000 3.841 3.532 4.061 . 0 0 "[ . 1 ]" 2 66 1 71 ILE MG 1 77 ALA HA 6.000 . 6.000 4.518 4.291 4.759 . 0 0 "[ . 1 ]" 2 67 1 71 ILE QG 1 125 LEU QD 7.000 . 7.000 3.212 2.739 3.769 . 0 0 "[ . 1 ]" 2 68 1 72 ILE H 1 77 ALA MB 6.000 . 6.000 4.659 4.449 4.812 . 0 0 "[ . 1 ]" 2 69 1 57 TRP HE1 1 72 ILE HB 9.000 . 9.000 8.720 7.335 9.032 0.032 5 0 "[ . 1 ]" 2 70 1 57 TRP HD1 1 72 ILE HB 8.000 . 8.000 8.108 7.996 8.164 0.164 6 0 "[ . 1 ]" 2 71 1 53 SER QB 1 72 ILE HB 7.000 . 7.000 5.627 5.005 6.318 . 0 0 "[ . 1 ]" 2 72 1 72 ILE HB 1 105 THR HB 6.000 . 6.000 4.071 3.308 5.046 . 0 0 "[ . 1 ]" 2 73 1 72 ILE MG 1 105 THR HB 7.000 . 7.000 3.284 2.435 4.196 . 0 0 "[ . 1 ]" 2 74 1 72 ILE MG 1 104 LYS HA 6.000 . 6.000 3.669 3.486 3.986 . 0 0 "[ . 1 ]" 2 75 1 72 ILE MG 1 77 ALA MB 7.000 . 7.000 3.694 3.548 3.819 . 0 0 "[ . 1 ]" 2 76 1 72 ILE MG 1 125 LEU QD 7.000 . 7.000 4.437 4.409 4.466 . 0 0 "[ . 1 ]" 2 77 1 72 ILE MG 1 103 ILE MD 7.500 . 7.500 1.740 1.626 1.978 . 0 0 "[ . 1 ]" 2 78 1 72 ILE MG 1 103 ILE HA 7.500 . 7.500 3.082 2.891 3.265 . 0 0 "[ . 1 ]" 2 79 1 72 ILE MG 1 101 THR HB 8.500 . 8.500 6.406 5.668 6.937 . 0 0 "[ . 1 ]" 2 80 1 72 ILE MG 1 104 LYS QB 8.500 . 8.500 5.005 4.839 5.256 . 0 0 "[ . 1 ]" 2 81 1 72 ILE QG 1 105 THR HB 7.000 . 7.000 4.786 3.782 5.723 . 0 0 "[ . 1 ]" 2 82 1 72 ILE QG 1 125 LEU QD 8.400 . 8.400 4.406 4.065 4.652 . 0 0 "[ . 1 ]" 2 83 1 53 SER QB 1 72 ILE QG 7.000 . 7.000 3.597 2.970 4.271 . 0 0 "[ . 1 ]" 2 84 1 57 TRP HE1 1 72 ILE QG 8.400 . 8.400 6.043 4.773 6.411 . 0 0 "[ . 1 ]" 2 85 1 57 TRP H 1 72 ILE QG 8.500 . 8.500 6.622 6.473 6.756 . 0 0 "[ . 1 ]" 2 86 1 72 ILE MD 1 77 ALA MB 6.500 . 6.500 3.117 2.742 3.398 . 0 0 "[ . 1 ]" 2 87 1 72 ILE MD 1 103 ILE HB 6.500 . 6.500 5.207 5.068 5.297 . 0 0 "[ . 1 ]" 2 88 1 67 GLU HA 1 72 ILE MD 8.500 . 8.500 6.852 6.771 7.070 . 0 0 "[ . 1 ]" 2 89 1 53 SER QB 1 72 ILE MD 7.500 . 7.500 4.270 3.794 4.899 . 0 0 "[ . 1 ]" 2 90 1 70 ARG HD3 1 73 ASN H 7.500 . 7.500 6.275 4.846 7.108 . 0 0 "[ . 1 ]" 2 91 1 76 GLY QA 1 127 LYS QG 6.500 . 6.500 4.642 4.187 5.216 . 0 0 "[ . 1 ]" 2 92 1 77 ALA H 1 102 PRO HA 6.000 . 6.000 6.014 5.754 6.187 0.187 9 0 "[ . 1 ]" 2 93 1 78 TYR H 1 103 ILE HA 6.000 . 6.000 5.664 5.543 5.789 . 0 0 "[ . 1 ]" 2 94 1 78 TYR H 1 103 ILE H . . 5.500 5.739 5.607 5.928 0.428 1 0 "[ . 1 ]" 2 95 1 78 TYR H 1 101 THR HB 6.000 . 6.000 5.738 5.348 6.026 0.026 9 0 "[ . 1 ]" 2 96 1 78 TYR H 1 126 GLY H . . 5.200 4.767 4.674 4.881 . 0 0 "[ . 1 ]" 2 97 1 78 TYR HA 1 103 ILE H . . 5.500 3.323 2.986 3.856 . 0 0 "[ . 1 ]" 2 98 1 78 TYR QD 1 100 PHE HZ 8.000 . 8.000 5.505 4.308 6.615 . 0 0 "[ . 1 ]" 2 99 1 78 TYR QE 1 100 PHE HZ 8.000 . 8.000 4.375 4.042 4.929 . 0 0 "[ . 1 ]" 2 100 1 78 TYR HH 1 100 PHE HZ 8.000 . 8.000 4.855 3.417 6.933 . 0 0 "[ . 1 ]" 2 101 1 78 TYR QD 1 101 THR HA 8.000 . 8.000 4.689 4.366 5.412 . 0 0 "[ . 1 ]" 2 102 1 78 TYR QE 1 101 THR HA 8.000 . 8.000 5.843 5.121 6.091 . 0 0 "[ . 1 ]" 2 103 1 78 TYR HH 1 101 THR HA 8.000 . 8.000 8.037 5.524 8.937 0.937 12 7 "[ * .* **-*+]" 2 104 1 78 TYR QD 1 99 THR HA 8.000 . 8.000 6.601 6.451 6.884 . 0 0 "[ . 1 ]" 2 105 1 78 TYR QE 1 99 THR HA 8.000 . 8.000 5.291 5.049 5.796 . 0 0 "[ . 1 ]" 2 106 1 78 TYR HH 1 99 THR HA 8.000 . 8.000 6.637 5.594 7.670 . 0 0 "[ . 1 ]" 2 107 1 78 TYR QD 1 124 LYS QB 8.000 . 8.000 2.541 1.894 4.516 . 0 0 "[ . 1 ]" 2 108 1 78 TYR QE 1 124 LYS QB 8.000 . 8.000 3.486 2.276 6.343 . 0 0 "[ . 1 ]" 2 109 1 78 TYR HH 1 124 LYS QB 8.000 . 8.000 6.118 5.172 8.809 0.809 1 2 "[+ -. 1 ]" 2 110 1 78 TYR QD 1 125 LEU HA 8.000 . 8.000 5.948 5.391 6.971 . 0 0 "[ . 1 ]" 2 111 1 78 TYR QD 1 124 LYS HA 8.000 . 8.000 5.333 4.500 7.094 . 0 0 "[ . 1 ]" 2 112 1 78 TYR QD 1 99 THR HB 9.000 . 9.000 6.212 5.967 6.361 . 0 0 "[ . 1 ]" 2 113 1 78 TYR QD 1 101 THR HB 9.000 . 9.000 4.210 3.757 4.687 . 0 0 "[ . 1 ]" 2 114 1 78 TYR QD 1 124 LYS QG . . 7.500 3.784 1.907 5.253 . 0 0 "[ . 1 ]" 2 115 1 78 TYR QD 1 124 LYS QE 8.000 . 8.000 4.415 3.391 5.089 . 0 0 "[ . 1 ]" 2 116 1 78 TYR QD 1 98 LEU QD 8.000 . 8.000 5.327 5.210 5.375 . 0 0 "[ . 1 ]" 2 117 1 79 VAL H 1 103 ILE HA 6.000 . 6.000 5.221 4.952 5.652 . 0 0 "[ . 1 ]" 2 118 1 79 VAL H 1 103 ILE MG 7.500 . 7.500 6.250 6.032 6.472 . 0 0 "[ . 1 ]" 2 119 1 79 VAL H 1 103 ILE MD . . 7.000 4.823 4.074 5.243 . 0 0 "[ . 1 ]" 2 120 1 79 VAL H 1 102 PRO HA 6.000 . 6.000 5.324 5.061 5.830 . 0 0 "[ . 1 ]" 2 121 1 79 VAL HB 1 103 ILE MD 7.000 . 7.000 4.088 3.720 4.458 . 0 0 "[ . 1 ]" 2 122 1 79 VAL HB 1 103 ILE MG 7.500 . 7.500 6.526 6.437 6.649 . 0 0 "[ . 1 ]" 2 123 1 81 SER H 1 120 LEU QD 7.500 . 7.500 4.913 4.794 5.109 . 0 0 "[ . 1 ]" 2 124 1 81 SER QB 1 120 LEU QD 7.000 . 7.000 4.675 4.639 4.743 . 0 0 "[ . 1 ]" 2 125 1 96 ASP H 1 113 GLU QG 7.000 . 7.000 6.217 5.755 6.303 . 0 0 "[ . 1 ]" 2 126 1 81 SER QB 1 96 ASP H 6.500 . 6.500 5.918 5.819 6.025 . 0 0 "[ . 1 ]" 2 127 1 81 SER QB 1 98 LEU H 6.000 . 6.000 5.030 4.690 5.226 . 0 0 "[ . 1 ]" 2 128 1 82 ARG QB 1 99 THR H 7.000 . 7.000 4.389 4.145 4.718 . 0 0 "[ . 1 ]" 2 129 1 80 GLY QA 1 99 THR H 7.000 . 7.000 2.789 2.675 2.945 . 0 0 "[ . 1 ]" 2 130 1 82 ARG HA 1 99 THR H 6.000 . 6.000 5.295 5.024 5.455 . 0 0 "[ . 1 ]" 2 131 1 81 SER QB 1 99 THR H 6.500 . 6.500 3.909 3.622 4.093 . 0 0 "[ . 1 ]" 2 132 1 81 SER H 1 99 THR H 4.500 . 4.500 1.942 1.837 2.011 . 0 0 "[ . 1 ]" 2 133 1 99 THR MG 1 110 LYS QE 7.500 . 7.500 4.269 2.771 5.625 . 0 0 "[ . 1 ]" 2 134 1 81 SER QB 1 99 THR MG 7.500 . 7.500 3.157 2.817 3.536 . 0 0 "[ . 1 ]" 2 135 1 81 SER QB 1 99 THR HA 6.500 . 6.500 4.465 4.343 4.726 . 0 0 "[ . 1 ]" 2 136 1 100 PHE QD 1 124 LYS QD 8.000 . 8.000 6.062 5.275 6.399 . 0 0 "[ . 1 ]" 2 137 1 100 PHE QE 1 124 LYS QD 8.000 . 8.000 5.570 4.694 5.957 . 0 0 "[ . 1 ]" 2 138 1 100 PHE HZ 1 124 LYS QD 8.000 . 8.000 6.638 5.810 7.299 . 0 0 "[ . 1 ]" 2 139 1 101 THR HA 1 106 TRP HZ2 7.500 . 7.500 4.443 2.944 6.108 . 0 0 "[ . 1 ]" 2 140 1 78 TYR QD 1 101 THR MG 8.500 . 8.500 4.763 3.738 5.532 . 0 0 "[ . 1 ]" 2 141 1 78 TYR QD 1 102 PRO QB 7.500 . 7.500 6.182 5.835 6.348 . 0 0 "[ . 1 ]" 2 142 1 79 VAL QG 1 103 ILE MD 7.000 . 7.000 3.760 3.076 4.116 . 0 0 "[ . 1 ]" 2 143 1 49 ASP HA 1 108 ALA H 6.000 . 6.000 5.174 4.909 5.431 . 0 0 "[ . 1 ]" 2 144 1 50 LYS QG 1 108 ALA H 7.000 . 7.000 5.135 4.571 5.803 . 0 0 "[ . 1 ]" 2 145 1 51 THR H 1 108 ALA MB 7.000 . 7.000 6.005 5.943 6.078 . 0 0 "[ . 1 ]" 2 146 1 50 LYS HA 1 108 ALA MB 7.000 . 7.000 5.161 4.973 5.376 . 0 0 "[ . 1 ]" 2 147 1 49 ASP H 1 108 ALA MB 7.000 . 7.000 5.749 5.641 5.877 . 0 0 "[ . 1 ]" 2 148 1 49 ASP HA 1 108 ALA MB 7.000 . 7.000 3.439 3.316 3.567 . 0 0 "[ . 1 ]" 2 149 1 50 LYS H 1 108 ALA MB 7.000 . 7.000 5.943 5.875 6.043 . 0 0 "[ . 1 ]" 2 150 1 112 GLN H 1 115 ILE MG 8.000 . 8.000 4.012 3.193 5.312 . 0 0 "[ . 1 ]" 2 151 1 48 TYR QD 1 112 GLN H 8.500 . 8.500 5.596 4.815 5.944 . 0 0 "[ . 1 ]" 2 152 1 48 TYR QE 1 112 GLN H 8.500 . 8.500 7.108 6.318 7.608 . 0 0 "[ . 1 ]" 2 153 1 79 VAL QG 1 114 PHE QD 8.000 . 8.000 2.734 2.257 3.126 . 0 0 "[ . 1 ]" 2 154 1 79 VAL QG 1 114 PHE QE 8.000 . 8.000 2.703 2.018 3.718 . 0 0 "[ . 1 ]" 2 155 1 79 VAL QG 1 114 PHE HZ 8.000 . 8.000 3.390 1.926 5.540 . 0 0 "[ . 1 ]" 2 156 1 79 VAL HB 1 114 PHE QD 8.500 . 8.500 5.424 4.712 5.934 . 0 0 "[ . 1 ]" 2 157 1 79 VAL HB 1 114 PHE QE 8.500 . 8.500 5.041 4.489 6.150 . 0 0 "[ . 1 ]" 2 158 1 79 VAL HB 1 114 PHE HZ 8.500 . 8.500 5.992 4.516 8.220 . 0 0 "[ . 1 ]" 2 159 1 81 SER HA 1 115 ILE MD 7.000 . 7.000 4.487 4.053 4.736 . 0 0 "[ . 1 ]" 2 160 1 82 ARG H 1 115 ILE MD 7.000 . 7.000 5.855 5.535 5.947 . 0 0 "[ . 1 ]" 2 161 1 81 SER H 1 115 ILE MD 7.500 . 7.500 5.695 4.770 6.346 . 0 0 "[ . 1 ]" 2 162 1 112 GLN QE 1 115 ILE HA 6.500 . 6.500 5.901 5.787 6.057 . 0 0 "[ . 1 ]" 2 163 1 115 ILE HA 1 120 LEU H 6.000 . 6.000 6.808 6.456 7.030 1.030 9 11 "[** -****+***]" 2 164 1 116 ILE H 1 121 LEU HA 6.000 . 6.000 6.367 6.217 6.449 0.449 8 0 "[ . 1 ]" 2 165 1 82 ARG QD 1 116 ILE QG 8.500 . 8.500 6.826 6.745 6.972 . 0 0 "[ . 1 ]" 2 166 1 82 ARG QB 1 116 ILE QG 8.500 . 8.500 6.948 6.866 7.028 . 0 0 "[ . 1 ]" 2 167 1 72 ILE HA 1 123 LEU QD 7.500 . 7.500 5.813 5.765 5.868 . 0 0 "[ . 1 ]" 2 168 1 78 TYR QD 1 124 LYS QD 8.500 . 8.500 2.700 2.096 3.509 . 0 0 "[ . 1 ]" 2 169 1 74 ASN QD 1 125 LEU HA 7.000 . 7.000 5.035 4.841 5.265 . 0 0 "[ . 1 ]" 2 170 1 78 TYR QD 1 126 GLY H 8.500 . 8.500 6.633 6.202 7.147 . 0 0 "[ . 1 ]" 2 171 1 67 GLU QG 1 127 LYS QD 8.500 . 8.500 5.881 4.546 6.755 . 0 0 "[ . 1 ]" 2 172 1 37 SER QB 1 130 MET QB 7.000 . 7.000 4.320 3.521 5.605 . 0 0 "[ . 1 ]" 2 173 1 37 SER HA 1 130 MET QG 6.500 . 6.500 5.724 4.682 5.886 . 0 0 "[ . 1 ]" 2 174 1 59 ALA HA 1 131 LYS QG 7.000 . 7.000 6.482 6.175 6.895 . 0 0 "[ . 1 ]" 2 175 1 62 VAL HB 1 131 LYS QG 7.000 . 7.000 6.324 6.225 6.437 . 0 0 "[ . 1 ]" 2 176 1 62 VAL QG 1 131 LYS QG 7.000 . 7.000 4.758 4.704 4.817 . 0 0 "[ . 1 ]" 2 177 1 40 VAL HB 1 131 LYS QG . . 6.000 4.912 4.080 6.090 0.090 5 0 "[ . 1 ]" 2 178 1 40 VAL QG 1 131 LYS QG 7.500 . 7.500 3.538 2.834 4.568 . 0 0 "[ . 1 ]" 2 179 1 40 VAL HB 1 131 LYS QE 6.500 . 6.500 4.137 2.643 5.809 . 0 0 "[ . 1 ]" 2 180 1 40 VAL QG 1 131 LYS QE 8.000 . 8.000 3.022 1.814 4.174 . 0 0 "[ . 1 ]" 2 181 1 62 VAL HA 1 131 LYS QE 7.000 . 7.000 6.465 6.274 6.644 . 0 0 "[ . 1 ]" 2 182 1 61 LEU HA 1 131 LYS QE 7.000 . 7.000 3.787 2.624 4.655 . 0 0 "[ . 1 ]" 2 183 1 59 ALA HA 1 131 LYS QE 7.000 . 7.000 5.479 4.660 6.354 . 0 0 "[ . 1 ]" 2 184 1 61 LEU H 1 131 LYS QE 7.500 . 7.500 2.264 1.881 2.563 . 0 0 "[ . 1 ]" 2 185 1 32 PHE QD 1 132 LEU QD 7.500 . 7.500 4.279 3.390 4.975 . 0 0 "[ . 1 ]" 2 186 1 119 ASP QB 1 135 ILE H 6.500 . 6.500 5.562 5.384 5.763 . 0 0 "[ . 1 ]" 2 187 1 44 LYS QG 1 136 VAL H 7.000 . 7.000 4.488 4.150 4.948 . 0 0 "[ . 1 ]" 2 188 1 42 LEU H 1 136 VAL H . . 4.500 4.857 4.793 4.919 0.419 2 0 "[ . 1 ]" 2 189 1 44 LYS HA 1 136 VAL H 6.000 . 6.000 4.239 3.982 4.428 . 0 0 "[ . 1 ]" 2 190 1 45 SER H 1 136 VAL H 6.000 . 6.000 5.449 5.205 5.600 . 0 0 "[ . 1 ]" 2 191 1 41 THR HA 1 136 VAL H 6.000 . 6.000 6.105 6.046 6.205 0.205 5 0 "[ . 1 ]" 2 192 1 42 LEU HG 1 136 VAL H 6.000 . 6.000 5.548 5.124 5.941 . 0 0 "[ . 1 ]" 2 193 1 118 GLY QA 1 136 VAL H 7.000 . 7.000 6.318 6.105 6.429 . 0 0 "[ . 1 ]" 2 194 1 138 ASP H 1 151 TRP HH2 7.500 . 7.500 7.606 7.514 7.784 0.284 4 0 "[ . 1 ]" 2 195 1 139 GLU H 1 151 TRP HZ3 8.000 . 8.000 8.023 6.742 8.428 0.428 8 0 "[ . 1 ]" 2 196 1 139 GLU H 1 151 TRP HH2 7.500 . 7.500 7.337 6.882 7.647 0.147 9 0 "[ . 1 ]" 2 197 1 44 LYS QB 1 139 GLU H 7.000 . 7.000 6.334 6.258 6.420 . 0 0 "[ . 1 ]" 2 198 1 142 LYS H 1 151 TRP HZ3 7.500 . 7.500 5.463 3.535 6.291 . 0 0 "[ . 1 ]" 2 199 1 142 LYS HA 1 151 TRP HZ2 7.000 . 7.000 2.951 2.343 4.292 . 0 0 "[ . 1 ]" 2 200 1 142 LYS QB 1 151 TRP HH2 7.000 . 7.000 4.943 2.776 5.622 . 0 0 "[ . 1 ]" 2 201 1 142 LYS QG 1 151 TRP HH2 7.000 . 7.000 4.668 3.562 6.069 . 0 0 "[ . 1 ]" 2 202 1 142 LYS QG 1 151 TRP HZ2 7.000 . 7.000 4.611 3.678 5.371 . 0 0 "[ . 1 ]" 2 203 1 142 LYS QG 1 151 TRP NE1 7.000 . 7.000 4.620 3.330 6.198 . 0 0 "[ . 1 ]" 2 204 1 142 LYS QG 1 155 VAL QG 7.000 . 7.000 4.162 3.070 4.665 . 0 0 "[ . 1 ]" 2 205 1 142 LYS QD 1 155 VAL QG 7.000 . 7.000 2.994 2.571 3.222 . 0 0 "[ . 1 ]" 2 206 1 142 LYS QD 1 151 TRP HH2 8.000 . 8.000 5.257 4.645 5.934 . 0 0 "[ . 1 ]" 2 207 1 142 LYS QD 1 151 TRP HZ2 8.000 . 8.000 5.306 3.780 6.989 . 0 0 "[ . 1 ]" 2 208 1 142 LYS QD 1 151 TRP NE1 8.000 . 8.000 4.788 2.353 7.341 . 0 0 "[ . 1 ]" 2 209 1 142 LYS QE 1 155 VAL QG 6.500 . 6.500 2.761 1.806 3.297 . 0 0 "[ . 1 ]" 2 210 1 142 LYS QE 1 151 TRP HH2 7.000 . 7.000 4.068 3.222 5.300 . 0 0 "[ . 1 ]" 2 211 1 142 LYS QE 1 151 TRP HZ2 7.000 . 7.000 4.103 2.988 6.267 . 0 0 "[ . 1 ]" 2 212 1 142 LYS QE 1 151 TRP NE1 8.000 . 8.000 3.624 2.400 6.302 . 0 0 "[ . 1 ]" 2 213 1 141 PHE QD 1 144 LEU QD 5.000 . 5.000 1.864 1.691 2.609 . 0 0 "[ . 1 ]" 2 214 1 141 PHE QE 1 144 LEU QD 5.000 . 5.000 2.144 1.883 3.032 . 0 0 "[ . 1 ]" 2 215 1 141 PHE HZ 1 144 LEU QD 5.000 . 5.000 3.864 3.788 3.888 . 0 0 "[ . 1 ]" 2 216 1 142 LYS QE 1 154 VAL QG 6.500 . 6.500 4.340 4.313 4.360 . 0 0 "[ . 1 ]" 2 217 1 142 LYS QB 1 155 VAL QG 7.500 . 7.500 4.693 3.140 5.040 . 0 0 "[ . 1 ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 190 _Distance_constraint_stats_list.Viol_count 383 _Distance_constraint_stats_list.Viol_total 783.639 _Distance_constraint_stats_list.Viol_max 0.617 _Distance_constraint_stats_list.Viol_rms 0.0861 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0286 _Distance_constraint_stats_list.Viol_average_violations_only 0.1705 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 38 ALA 1.904 0.283 8 0 "[ . 1 ]" 1 39 ARG 8.371 0.585 10 5 "[ .-* *+* ]" 1 40 VAL 2.028 0.199 11 0 "[ . 1 ]" 1 41 THR 1.553 0.162 6 0 "[ . 1 ]" 1 42 LEU 5.368 0.510 11 1 "[ . 1+ ]" 1 76 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 77 ALA 5.267 0.342 7 0 "[ . 1 ]" 1 78 TYR 0.178 0.088 4 0 "[ . 1 ]" 1 79 VAL 2.083 0.213 8 0 "[ . 1 ]" 1 80 GLY 1.732 0.141 1 0 "[ . 1 ]" 1 81 SER 8.664 0.617 2 12 [*+********-*] 1 82 ARG 0.022 0.022 12 0 "[ . 1 ]" 1 98 LEU 1.587 0.237 6 0 "[ . 1 ]" 1 99 THR 0.000 0.000 . 0 "[ . 1 ]" 1 100 PHE 0.059 0.037 3 0 "[ . 1 ]" 1 101 THR 0.428 0.178 1 0 "[ . 1 ]" 1 103 ILE 0.000 0.000 . 0 "[ . 1 ]" 1 120 LEU 3.409 0.382 3 0 "[ . 1 ]" 1 121 LEU 9.140 0.617 2 12 [*+********-*] 1 122 ILE 8.282 0.325 7 0 "[ . 1 ]" 1 123 LEU 12.757 0.378 12 0 "[ . 1 ]" 1 124 LYS 7.698 0.312 2 0 "[ . 1 ]" 1 125 LEU 5.257 0.342 7 0 "[ . 1 ]" 1 126 GLY 0.000 0.000 . 0 "[ . 1 ]" 1 130 MET 9.518 0.378 12 0 "[ . 1 ]" 1 131 LYS 9.281 0.585 10 5 "[ .-* *+* ]" 1 132 LEU 7.131 0.325 7 0 "[ . 1 ]" 1 133 VAL 8.027 0.351 8 0 "[ . 1 ]" 1 134 SER 5.477 0.382 3 0 "[ . 1 ]" 1 135 ILE 5.384 0.510 11 1 "[ . 1+ ]" 1 136 VAL 0.000 0.000 . 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 38 ALA H 1 131 LYS HA . 3.800 4.000 3.641 3.517 3.795 0.283 8 0 "[ . 1 ]" 3 2 1 38 ALA H 1 132 LEU H . . 5.200 4.285 4.113 4.571 . 0 0 "[ . 1 ]" 3 3 1 38 ALA MB 1 131 LYS HA 5.500 . 5.500 2.936 2.008 3.787 . 0 0 "[ . 1 ]" 3 4 1 39 ARG H 1 131 LYS HA 5.000 . 5.000 5.504 5.439 5.585 0.585 10 5 "[ .-* *+* ]" 3 5 1 39 ARG HA 1 132 LEU H . 2.800 3.000 2.798 2.556 3.136 0.244 4 0 "[ . 1 ]" 3 6 1 39 ARG HA 1 133 VAL HA 6.000 . 6.000 4.031 3.862 4.172 . 0 0 "[ . 1 ]" 3 7 1 39 ARG QD 1 133 VAL HA 6.000 . 6.000 2.634 2.052 3.666 . 0 0 "[ . 1 ]" 3 8 1 39 ARG QD 1 132 LEU H 6.500 . 6.500 3.944 3.408 4.228 . 0 0 "[ . 1 ]" 3 9 1 39 ARG QD 1 122 ILE HA 5.500 . 5.500 5.539 4.712 5.777 0.277 12 0 "[ . 1 ]" 3 10 1 39 ARG QD 1 132 LEU QD 6.500 . 6.500 1.997 1.698 2.809 . 0 0 "[ . 1 ]" 3 11 1 40 VAL H 1 133 VAL HA . 2.800 3.000 2.684 2.634 2.727 0.166 1 0 "[ . 1 ]" 3 12 1 40 VAL H 1 134 SER H 6.000 . 6.000 4.126 3.910 4.259 . 0 0 "[ . 1 ]" 3 13 1 40 VAL H 1 132 LEU H . . 4.200 4.108 3.996 4.259 0.059 5 0 "[ . 1 ]" 3 14 1 40 VAL HB 1 131 LYS QD 6.000 . 6.000 3.685 2.942 4.767 . 0 0 "[ . 1 ]" 3 15 1 40 VAL HB 1 133 VAL QG 5.500 . 5.500 2.818 2.229 3.686 . 0 0 "[ . 1 ]" 3 16 1 40 VAL HB 1 133 VAL HA 5.500 . 5.500 4.518 4.173 5.041 . 0 0 "[ . 1 ]" 3 17 1 40 VAL QG 1 132 LEU H 7.000 . 7.000 4.629 3.703 5.339 . 0 0 "[ . 1 ]" 3 18 1 40 VAL QG 1 131 LYS HA 7.000 . 7.000 5.116 4.418 5.827 . 0 0 "[ . 1 ]" 3 19 1 41 THR H 1 134 SER H 6.000 . 6.000 4.940 4.796 5.083 . 0 0 "[ . 1 ]" 3 20 1 41 THR HA 1 134 SER H . 2.800 3.000 2.719 2.638 2.908 0.162 6 0 "[ . 1 ]" 3 21 1 41 THR HA 1 134 SER QB 5.000 . 5.000 3.713 3.473 3.903 . 0 0 "[ . 1 ]" 3 22 1 41 THR HA 1 133 VAL QG 6.000 . 6.000 2.554 1.949 3.115 . 0 0 "[ . 1 ]" 3 23 1 41 THR HA 1 134 SER HA 6.000 . 6.000 5.070 4.926 5.241 . 0 0 "[ . 1 ]" 3 24 1 41 THR HA 1 135 ILE HA 6.000 . 6.000 4.422 4.223 4.660 . 0 0 "[ . 1 ]" 3 25 1 41 THR HA 1 132 LEU QD 7.500 . 7.500 6.112 5.790 7.403 . 0 0 "[ . 1 ]" 3 26 1 42 LEU H 1 135 ILE HA . 3.800 4.000 3.360 3.290 3.406 0.510 11 1 "[ . 1+ ]" 3 27 1 42 LEU H 1 134 SER QB 5.000 . 5.000 4.847 4.459 5.053 0.053 2 0 "[ . 1 ]" 3 28 1 42 LEU H 1 135 ILE HB 6.000 . 6.000 4.866 4.245 5.519 . 0 0 "[ . 1 ]" 3 29 1 76 GLY H 1 123 LEU QD 7.500 . 7.500 7.113 6.951 7.263 . 0 0 "[ . 1 ]" 3 30 1 77 ALA H 1 125 LEU HA 6.000 . 6.000 4.777 4.566 5.030 . 0 0 "[ . 1 ]" 3 31 1 77 ALA H 1 103 ILE QG 7.000 . 7.000 2.229 2.038 2.423 . 0 0 "[ . 1 ]" 3 32 1 77 ALA H 1 103 ILE MG 7.000 . 7.000 2.270 1.776 3.115 . 0 0 "[ . 1 ]" 3 33 1 77 ALA H 1 123 LEU QD 7.500 . 7.500 6.218 6.011 6.376 . 0 0 "[ . 1 ]" 3 34 1 77 ALA HA 1 126 GLY H 5.500 . 5.500 2.752 2.677 2.924 . 0 0 "[ . 1 ]" 3 35 1 77 ALA HA 1 125 LEU HA . . 2.100 2.373 2.311 2.442 0.342 7 0 "[ . 1 ]" 3 36 1 77 ALA MB 1 125 LEU HA 5.200 . 5.200 2.095 1.849 2.558 . 0 0 "[ . 1 ]" 3 37 1 77 ALA MB 1 103 ILE MD 7.000 . 7.000 1.766 1.683 1.834 . 0 0 "[ . 1 ]" 3 38 1 78 TYR H 1 124 LYS H . . 4.200 3.396 3.298 3.461 . 0 0 "[ . 1 ]" 3 39 1 78 TYR H 1 125 LEU HA 4.500 . 4.500 3.618 3.500 3.748 . 0 0 "[ . 1 ]" 3 40 1 78 TYR H 1 124 LYS QG 5.500 . 5.500 4.771 2.227 5.526 0.026 3 0 "[ . 1 ]" 3 41 1 78 TYR H 1 122 ILE MD 8.500 . 8.500 8.386 7.688 8.588 0.088 4 0 "[ . 1 ]" 3 42 1 78 TYR H 1 123 LEU HA 6.000 . 6.000 5.296 5.184 5.405 . 0 0 "[ . 1 ]" 3 43 1 78 TYR H 1 124 LYS QE 7.000 . 7.000 6.085 4.187 6.997 . 0 0 "[ . 1 ]" 3 44 1 78 TYR H 1 125 LEU HG 6.000 . 6.000 4.854 4.507 5.054 . 0 0 "[ . 1 ]" 3 45 1 78 TYR QB 1 124 LYS QB 6.000 . 6.000 3.685 2.443 4.702 . 0 0 "[ . 1 ]" 3 46 1 79 VAL H 1 124 LYS H 5.500 . 5.500 5.283 5.211 5.320 . 0 0 "[ . 1 ]" 3 47 1 79 VAL HA 1 123 LEU HA . . 2.700 2.850 2.817 2.913 0.213 8 0 "[ . 1 ]" 3 48 1 79 VAL HA 1 122 ILE MG 6.000 . 6.000 5.951 5.715 6.107 0.107 4 0 "[ . 1 ]" 3 49 1 79 VAL QG 1 103 ILE MG 7.000 . 7.000 5.963 5.775 6.074 . 0 0 "[ . 1 ]" 3 50 1 79 VAL QG 1 103 ILE QG 7.000 . 7.000 5.512 4.877 5.854 . 0 0 "[ . 1 ]" 3 51 1 79 VAL QG 1 100 PHE HA 5.500 . 5.500 3.960 3.721 4.462 . 0 0 "[ . 1 ]" 3 52 1 79 VAL QG 1 101 THR HB 6.000 . 6.000 2.146 1.777 2.992 . 0 0 "[ . 1 ]" 3 53 1 79 VAL QG 1 103 ILE HA 6.000 . 6.000 4.652 4.310 4.882 . 0 0 "[ . 1 ]" 3 54 1 79 VAL QG 1 101 THR HG1 6.500 . 6.500 1.853 1.778 2.086 . 0 0 "[ . 1 ]" 3 55 1 80 GLY H 1 124 LYS H 4.500 . 4.500 4.591 4.561 4.641 0.141 1 0 "[ . 1 ]" 3 56 1 80 GLY H 1 122 ILE HB . . 4.500 3.389 3.063 3.592 . 0 0 "[ . 1 ]" 3 57 1 80 GLY H 1 123 LEU HA . . 5.000 3.419 3.362 3.465 . 0 0 "[ . 1 ]" 3 58 1 80 GLY H 1 122 ILE MG 6.500 . 6.500 4.866 4.611 5.001 . 0 0 "[ . 1 ]" 3 59 1 80 GLY H 1 122 ILE QG 5.500 . 5.500 3.441 2.990 3.628 . 0 0 "[ . 1 ]" 3 60 1 80 GLY H 1 122 ILE H . . 4.500 3.976 3.877 4.059 . 0 0 "[ . 1 ]" 3 61 1 80 GLY H 1 100 PHE HA 6.500 . 6.500 5.005 4.809 5.226 . 0 0 "[ . 1 ]" 3 62 1 80 GLY QA 1 124 LYS H 6.000 . 6.000 6.046 5.910 6.118 0.118 5 0 "[ . 1 ]" 3 63 1 80 GLY QA 1 100 PHE HA 6.000 . 6.000 3.340 3.121 3.555 . 0 0 "[ . 1 ]" 3 64 1 80 GLY QA 1 122 ILE HB . . 5.000 3.693 3.357 3.874 . 0 0 "[ . 1 ]" 3 65 1 80 GLY QA 1 122 ILE QG 7.000 . 7.000 3.019 2.585 3.311 . 0 0 "[ . 1 ]" 3 66 1 80 GLY QA 1 122 ILE MG 6.800 . 6.800 4.696 4.382 4.814 . 0 0 "[ . 1 ]" 3 67 1 81 SER H 1 100 PHE HA 5.500 . 5.500 5.378 5.180 5.537 0.037 3 0 "[ . 1 ]" 3 68 1 81 SER H 1 99 THR HA 5.500 . 5.500 3.772 3.718 3.822 . 0 0 "[ . 1 ]" 3 69 1 81 SER H 1 99 THR HB 5.500 . 5.500 1.912 1.814 2.261 . 0 0 "[ . 1 ]" 3 70 1 81 SER H 1 98 LEU QB 5.500 . 5.500 5.087 5.038 5.150 . 0 0 "[ . 1 ]" 3 71 1 81 SER H 1 98 LEU QD . . 6.500 3.667 3.248 3.882 . 0 0 "[ . 1 ]" 3 72 1 81 SER H 1 101 THR H 7.000 . 7.000 7.000 6.847 7.178 0.178 1 0 "[ . 1 ]" 3 73 1 81 SER H 1 98 LEU H 6.500 . 6.500 5.428 5.289 5.584 . 0 0 "[ . 1 ]" 3 74 1 81 SER H 1 122 ILE HB 6.000 . 6.000 5.754 5.516 6.061 0.061 1 0 "[ . 1 ]" 3 75 1 81 SER QB 1 98 LEU HG 6.000 . 6.000 6.132 6.009 6.237 0.237 6 0 "[ . 1 ]" 3 76 1 81 SER QB 1 98 LEU QD 7.500 . 7.500 5.089 4.613 5.307 . 0 0 "[ . 1 ]" 3 77 1 81 SER QB 1 123 LEU QD 9.500 . 9.500 8.229 7.945 8.449 . 0 0 "[ . 1 ]" 3 78 1 82 ARG HA 1 98 LEU H 5.500 . 5.500 4.768 4.489 4.970 . 0 0 "[ . 1 ]" 3 79 1 82 ARG QB 1 98 LEU QD 6.000 . 6.000 3.661 3.333 4.174 . 0 0 "[ . 1 ]" 3 80 1 82 ARG HA 1 98 LEU QD 6.500 . 6.500 5.070 4.619 5.311 . 0 0 "[ . 1 ]" 3 81 1 79 VAL QG 1 98 LEU QD 7.500 . 7.500 5.585 5.483 5.808 . 0 0 "[ . 1 ]" 3 82 1 82 ARG QB 1 100 PHE QB 9.000 . 9.000 8.765 8.201 9.022 0.022 12 0 "[ . 1 ]" 3 83 1 100 PHE QB 1 122 ILE QG 8.500 . 8.500 8.222 7.828 8.501 0.001 2 0 "[ . 1 ]" 3 84 1 78 TYR QD 1 100 PHE HA 7.000 . 7.000 2.353 2.142 2.881 . 0 0 "[ . 1 ]" 3 85 1 78 TYR QE 1 100 PHE QB 7.000 . 7.000 3.244 2.261 3.640 . 0 0 "[ . 1 ]" 3 86 1 80 GLY QA 1 101 THR H 5.500 . 5.500 4.596 4.352 4.804 . 0 0 "[ . 1 ]" 3 87 1 79 VAL H 1 103 ILE H 6.000 . 6.000 4.096 3.752 4.617 . 0 0 "[ . 1 ]" 3 88 1 79 VAL HB 1 103 ILE H 6.000 . 6.000 4.346 4.240 4.610 . 0 0 "[ . 1 ]" 3 89 1 79 VAL QG 1 103 ILE H 6.000 . 6.000 4.628 4.521 4.764 . 0 0 "[ . 1 ]" 3 90 1 77 ALA MB 1 103 ILE H 6.000 . 6.000 4.938 4.691 5.338 . 0 0 "[ . 1 ]" 3 91 1 78 TYR HA 1 103 ILE QG 7.000 . 7.000 4.935 4.424 5.288 . 0 0 "[ . 1 ]" 3 92 1 77 ALA MB 1 103 ILE QG 7.000 . 7.000 1.947 1.768 2.183 . 0 0 "[ . 1 ]" 3 93 1 78 TYR H 1 103 ILE MD 7.000 . 7.000 3.819 3.235 4.213 . 0 0 "[ . 1 ]" 3 94 1 79 VAL HA 1 103 ILE MD 7.000 . 7.000 5.257 4.691 5.677 . 0 0 "[ . 1 ]" 3 95 1 78 TYR HA 1 103 ILE MD 7.000 . 7.000 3.726 2.740 4.383 . 0 0 "[ . 1 ]" 3 96 1 120 LEU HA 1 134 SER HA . 2.400 2.600 2.882 2.815 2.982 0.382 3 0 "[ . 1 ]" 3 97 1 120 LEU HA 1 135 ILE H 5.500 . 5.500 3.849 3.601 4.172 . 0 0 "[ . 1 ]" 3 98 1 120 LEU QD 1 134 SER HA 4.500 . 4.500 4.138 3.854 4.529 0.029 10 0 "[ . 1 ]" 3 99 1 121 LEU H 1 133 VAL HB . . 5.000 5.072 4.964 5.252 0.252 1 0 "[ . 1 ]" 3 100 1 121 LEU H 1 133 VAL QG . . 5.000 4.528 4.178 4.750 . 0 0 "[ . 1 ]" 3 101 1 121 LEU H 1 133 VAL H 6.000 . 6.000 4.039 3.910 4.170 . 0 0 "[ . 1 ]" 3 102 1 121 LEU H 1 135 ILE H 5.500 . 5.500 4.253 3.985 4.508 . 0 0 "[ . 1 ]" 3 103 1 121 LEU H 1 134 SER HA 5.500 . 5.500 2.879 2.712 3.022 . 0 0 "[ . 1 ]" 3 104 1 81 SER HA 1 121 LEU H 5.500 . 5.500 5.357 5.232 5.478 . 0 0 "[ . 1 ]" 3 105 1 81 SER HA 1 121 LEU HA . . 2.700 3.242 3.201 3.317 0.617 2 12 [*+********-*] 3 106 1 121 LEU QB 1 133 VAL HB 4.500 . 4.500 3.367 3.013 3.731 . 0 0 "[ . 1 ]" 3 107 1 121 LEU QB 1 133 VAL HA 5.500 . 5.500 4.856 4.619 5.065 . 0 0 "[ . 1 ]" 3 108 1 121 LEU QB 1 135 ILE H 5.500 . 5.500 3.676 3.370 3.925 . 0 0 "[ . 1 ]" 3 109 1 81 SER HA 1 121 LEU QB 5.500 . 5.500 5.067 4.903 5.237 . 0 0 "[ . 1 ]" 3 110 1 121 LEU HG 1 133 VAL HB . . 5.000 2.336 1.886 3.223 . 0 0 "[ . 1 ]" 3 111 1 121 LEU HG 1 133 VAL H 5.500 . 5.500 2.878 2.126 3.792 . 0 0 "[ . 1 ]" 3 112 1 121 LEU HG 1 135 ILE H 6.500 . 6.500 6.022 5.536 6.571 0.071 8 0 "[ . 1 ]" 3 113 1 121 LEU QD 1 133 VAL HB . . 4.500 2.451 1.816 3.285 . 0 0 "[ . 1 ]" 3 114 1 81 SER HA 1 121 LEU QD 5.500 . 5.500 4.074 3.612 4.477 . 0 0 "[ . 1 ]" 3 115 1 121 LEU QD 1 131 LYS QB 7.500 . 7.500 5.711 5.205 6.315 . 0 0 "[ . 1 ]" 3 116 1 121 LEU QD 1 131 LYS QG 7.500 . 7.500 5.398 4.212 6.636 . 0 0 "[ . 1 ]" 3 117 1 81 SER HA 1 122 ILE H 4.500 . 4.500 3.241 3.154 3.380 . 0 0 "[ . 1 ]" 3 118 1 122 ILE HA 1 132 LEU HA . . 2.200 2.468 2.352 2.525 0.325 7 0 "[ . 1 ]" 3 119 1 81 SER HA 1 122 ILE MG 6.500 . 6.500 5.232 5.146 5.315 . 0 0 "[ . 1 ]" 3 120 1 122 ILE MG 1 130 MET HA 7.000 . 7.000 6.415 6.256 6.698 . 0 0 "[ . 1 ]" 3 121 1 122 ILE MG 1 130 MET QG 7.000 . 7.000 3.856 3.708 4.028 . 0 0 "[ . 1 ]" 3 122 1 78 TYR QD 1 122 ILE MG 9.000 . 9.000 6.364 5.876 7.207 . 0 0 "[ . 1 ]" 3 123 1 78 TYR QE 1 122 ILE MG 9.000 . 9.000 5.390 4.246 8.341 . 0 0 "[ . 1 ]" 3 124 1 122 ILE MG 1 131 LYS HA 7.000 . 7.000 5.772 5.686 5.855 . 0 0 "[ . 1 ]" 3 125 1 122 ILE QG 1 124 LYS H 6.500 . 6.500 6.528 6.235 6.706 0.206 3 0 "[ . 1 ]" 3 126 1 122 ILE QG 1 134 SER HA 6.500 . 6.500 6.497 6.270 6.592 0.092 9 0 "[ . 1 ]" 3 127 1 81 SER HA 1 122 ILE QG 6.500 . 6.500 2.702 2.581 2.826 . 0 0 "[ . 1 ]" 3 128 1 80 GLY H 1 122 ILE MD 5.500 . 5.500 4.100 3.194 4.427 . 0 0 "[ . 1 ]" 3 129 1 122 ILE MD 1 124 LYS H 6.500 . 6.500 6.461 5.851 6.571 0.071 5 0 "[ . 1 ]" 3 130 1 123 LEU H 1 133 VAL H 4.200 . 4.200 3.943 3.820 4.075 . 0 0 "[ . 1 ]" 3 131 1 123 LEU H 1 131 LYS H 4.800 . 4.800 4.198 4.169 4.233 . 0 0 "[ . 1 ]" 3 132 1 123 LEU H 1 132 LEU QB 4.500 . 4.500 3.794 2.926 4.150 . 0 0 "[ . 1 ]" 3 133 1 123 LEU H 1 130 MET HA 5.500 . 5.500 5.726 5.688 5.770 0.270 4 0 "[ . 1 ]" 3 134 1 123 LEU H 1 132 LEU HA 4.500 . 4.500 2.551 2.289 2.687 . 0 0 "[ . 1 ]" 3 135 1 123 LEU H 1 131 LYS QB 6.000 . 6.000 4.728 4.544 4.934 . 0 0 "[ . 1 ]" 3 136 1 123 LEU H 1 130 MET QG 6.000 . 6.000 3.973 3.825 4.150 . 0 0 "[ . 1 ]" 3 137 1 123 LEU HG 1 130 MET H 6.000 . 6.000 6.345 6.300 6.378 0.378 12 0 "[ . 1 ]" 3 138 1 123 LEU HG 1 131 LYS H 6.000 . 6.000 2.314 2.239 2.360 . 0 0 "[ . 1 ]" 3 139 1 123 LEU QB 1 133 VAL HB 4.500 . 4.500 4.781 4.649 4.851 0.351 8 0 "[ . 1 ]" 3 140 1 123 LEU HG 1 133 VAL H 6.500 . 6.500 6.495 6.387 6.571 0.071 6 0 "[ . 1 ]" 3 141 1 79 VAL HA 1 124 LYS H 5.000 . 5.000 3.347 3.289 3.452 . 0 0 "[ . 1 ]" 3 142 1 77 ALA HA 1 124 LYS H 5.000 . 5.000 5.166 5.054 5.235 0.235 1 0 "[ . 1 ]" 3 143 1 103 ILE MD 1 124 LYS H 6.500 . 6.500 5.140 4.729 5.450 . 0 0 "[ . 1 ]" 3 144 1 78 TYR QB 1 124 LYS H 6.500 . 6.500 4.767 3.904 5.259 . 0 0 "[ . 1 ]" 3 145 1 78 TYR QD 1 124 LYS H 8.500 . 8.500 4.108 3.026 5.376 . 0 0 "[ . 1 ]" 3 146 1 124 LYS HA 1 130 MET H 5.000 . 5.000 4.907 4.779 4.994 . 0 0 "[ . 1 ]" 3 147 1 124 LYS QB 1 130 MET HA . . 5.000 3.858 3.672 4.013 . 0 0 "[ . 1 ]" 3 148 1 124 LYS H 1 130 MET QB 6.500 . 6.500 4.937 4.637 5.288 . 0 0 "[ . 1 ]" 3 149 1 124 LYS QG 1 130 MET HA . . 5.000 3.820 3.429 4.486 . 0 0 "[ . 1 ]" 3 150 1 124 LYS QD 1 130 MET QB 5.500 . 5.500 4.121 3.792 4.795 . 0 0 "[ . 1 ]" 3 151 1 78 TYR QE 1 124 LYS QD 8.500 . 8.500 2.423 1.771 5.124 . 0 0 "[ . 1 ]" 3 152 1 124 LYS QE 1 130 MET HA 5.500 . 5.500 5.257 4.333 5.550 0.050 2 0 "[ . 1 ]" 3 153 1 78 TYR H 1 125 LEU H 6.000 . 6.000 5.111 5.038 5.148 . 0 0 "[ . 1 ]" 3 154 1 125 LEU H 1 131 LYS H 5.500 . 5.500 3.782 3.709 3.893 . 0 0 "[ . 1 ]" 3 155 1 76 GLY QA 1 125 LEU HA 6.000 . 6.000 5.027 4.867 5.163 . 0 0 "[ . 1 ]" 3 156 1 125 LEU HG 1 131 LYS H . . 5.500 4.127 3.751 4.428 . 0 0 "[ . 1 ]" 3 157 1 78 TYR H 1 125 LEU QD 6.000 . 6.000 4.536 4.190 4.751 . 0 0 "[ . 1 ]" 3 158 1 125 LEU QD 1 132 LEU H 6.000 . 6.000 6.166 6.114 6.201 0.201 12 0 "[ . 1 ]" 3 159 1 77 ALA HA 1 125 LEU QD 6.000 . 6.000 4.060 3.828 4.247 . 0 0 "[ . 1 ]" 3 160 1 76 GLY QA 1 126 GLY H 6.500 . 6.500 3.807 3.580 4.090 . 0 0 "[ . 1 ]" 3 161 1 124 LYS QB 1 130 MET H 5.500 . 5.500 5.641 5.227 5.812 0.312 2 0 "[ . 1 ]" 3 162 1 124 LYS QG 1 130 MET H 6.000 . 6.000 5.437 4.983 6.151 0.151 6 0 "[ . 1 ]" 3 163 1 124 LYS HA 1 130 MET HA . . 2.200 2.216 2.167 2.261 0.061 9 0 "[ . 1 ]" 3 164 1 124 LYS HA 1 130 MET QB 5.000 . 5.000 2.300 1.990 2.635 . 0 0 "[ . 1 ]" 3 165 1 125 LEU H 1 130 MET QB 6.000 . 6.000 2.817 2.660 2.997 . 0 0 "[ . 1 ]" 3 166 1 122 ILE MG 1 130 MET QB 6.000 . 6.000 5.379 5.123 5.756 . 0 0 "[ . 1 ]" 3 167 1 124 LYS HA 1 130 MET QG 6.000 . 6.000 2.836 2.167 3.130 . 0 0 "[ . 1 ]" 3 168 1 124 LYS QB 1 130 MET QG 6.000 . 6.000 3.695 2.895 4.040 . 0 0 "[ . 1 ]" 3 169 1 122 ILE HA 1 131 LYS H 6.000 . 6.000 6.111 6.059 6.154 0.154 3 0 "[ . 1 ]" 3 170 1 123 LEU QD 1 131 LYS H 6.500 . 6.500 2.990 2.770 3.131 . 0 0 "[ . 1 ]" 3 171 1 121 LEU QD 1 131 LYS H 7.500 . 7.500 6.550 6.120 7.298 . 0 0 "[ . 1 ]" 3 172 1 123 LEU QD 1 131 LYS QE 6.500 . 6.500 2.997 1.837 4.083 . 0 0 "[ . 1 ]" 3 173 1 38 ALA HA 1 132 LEU H 5.500 . 5.500 5.294 5.024 5.412 . 0 0 "[ . 1 ]" 3 174 1 39 ARG QB 1 132 LEU H 6.500 . 6.500 4.198 2.855 5.128 . 0 0 "[ . 1 ]" 3 175 1 40 VAL H 1 132 LEU QB 5.500 . 5.500 4.545 4.055 5.160 . 0 0 "[ . 1 ]" 3 176 1 39 ARG HA 1 132 LEU QB 5.500 . 5.500 3.255 2.758 4.329 . 0 0 "[ . 1 ]" 3 177 1 122 ILE HA 1 132 LEU HG 5.000 . 5.000 3.569 2.211 5.267 0.267 1 0 "[ . 1 ]" 3 178 1 40 VAL H 1 132 LEU HG 6.500 . 6.500 5.427 3.996 6.560 0.060 7 0 "[ . 1 ]" 3 179 1 41 THR HB 1 132 LEU QD 7.500 . 7.500 7.329 6.372 7.639 0.139 8 0 "[ . 1 ]" 3 180 1 122 ILE H 1 133 VAL H 5.200 . 5.200 4.780 4.677 4.842 . 0 0 "[ . 1 ]" 3 181 1 120 LEU HA 1 133 VAL H 6.500 . 6.500 5.829 5.668 6.009 . 0 0 "[ . 1 ]" 3 182 1 121 LEU HA 1 133 VAL H 5.000 . 5.000 5.135 5.071 5.214 0.214 4 0 "[ . 1 ]" 3 183 1 121 LEU QB 1 133 VAL H 6.500 . 6.500 3.791 3.369 4.037 . 0 0 "[ . 1 ]" 3 184 1 121 LEU QB 1 133 VAL QG 5.200 . 5.200 3.007 2.435 3.440 . 0 0 "[ . 1 ]" 3 185 1 123 LEU H 1 133 VAL QG 5.000 . 5.000 4.970 4.639 5.140 0.140 2 0 "[ . 1 ]" 3 186 1 40 VAL HB 1 134 SER H 5.500 . 5.500 5.497 5.324 5.699 0.199 11 0 "[ . 1 ]" 3 187 1 120 LEU HA 1 134 SER H 6.000 . 6.000 5.605 5.509 5.802 . 0 0 "[ . 1 ]" 3 188 1 121 LEU QD 1 134 SER HA 6.000 . 6.000 4.562 4.060 4.971 . 0 0 "[ . 1 ]" 3 189 1 42 LEU QD 1 135 ILE H 6.000 . 6.000 5.225 4.583 5.618 . 0 0 "[ . 1 ]" 3 190 1 135 ILE HB 1 136 VAL QG 5.000 . 5.000 4.353 4.130 4.639 . 0 0 "[ . 1 ]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 159 _Distance_constraint_stats_list.Viol_count 1756 _Distance_constraint_stats_list.Viol_total 2752.499 _Distance_constraint_stats_list.Viol_max 0.921 _Distance_constraint_stats_list.Viol_rms 0.1207 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1202 _Distance_constraint_stats_list.Viol_average_violations_only 0.1306 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 38 ALA 9.260 0.342 4 0 "[ . 1 ]" 1 40 VAL 4.920 0.208 1 0 "[ . 1 ]" 1 43 PRO 0.826 0.137 2 0 "[ . 1 ]" 1 52 PHE 1.376 0.115 8 0 "[ . 1 ]" 1 53 SER 2.677 0.135 7 0 "[ . 1 ]" 1 54 LYS 6.827 0.334 7 0 "[ . 1 ]" 1 55 VAL 8.732 0.329 6 0 "[ . 1 ]" 1 56 LEU 1.376 0.115 8 0 "[ . 1 ]" 1 57 TRP 2.677 0.135 7 0 "[ . 1 ]" 1 58 SER 6.827 0.334 7 0 "[ . 1 ]" 1 59 ALA 8.732 0.329 6 0 "[ . 1 ]" 1 66 SER 7.071 0.279 7 0 "[ . 1 ]" 1 67 GLU 2.407 0.134 11 0 "[ . 1 ]" 1 68 GLY 8.075 0.212 5 0 "[ . 1 ]" 1 70 ARG 7.071 0.279 7 0 "[ . 1 ]" 1 71 ILE 2.407 0.134 11 0 "[ . 1 ]" 1 72 ILE 8.075 0.212 5 0 "[ . 1 ]" 1 78 TYR 10.767 0.422 4 0 "[ . 1 ]" 1 79 VAL 19.919 0.485 8 0 "[ . 1 ]" 1 80 GLY 14.647 0.638 8 12 [****-**+****] 1 81 SER 14.621 0.921 9 12 [**-*****+***] 1 82 ARG 14.007 0.269 9 0 "[ . 1 ]" 1 98 LEU 14.621 0.921 9 12 [**-*****+***] 1 99 THR 6.977 0.638 8 12 [****-**+****] 1 100 PHE 19.919 0.485 8 0 "[ . 1 ]" 1 101 THR 3.462 0.422 4 0 "[ . 1 ]" 1 108 ALA 2.031 0.112 1 0 "[ . 1 ]" 1 109 SER 4.117 0.218 10 0 "[ . 1 ]" 1 110 LYS 2.852 0.149 9 0 "[ . 1 ]" 1 112 GLN 2.031 0.112 1 0 "[ . 1 ]" 1 113 GLU 4.117 0.218 10 0 "[ . 1 ]" 1 114 PHE 2.852 0.149 9 0 "[ . 1 ]" 1 120 LEU 14.007 0.269 9 0 "[ . 1 ]" 1 121 LEU 12.996 0.323 1 0 "[ . 1 ]" 1 122 ILE 7.670 0.144 3 0 "[ . 1 ]" 1 123 LEU 10.219 0.254 7 0 "[ . 1 ]" 1 124 LYS 7.305 0.208 4 0 "[ . 1 ]" 1 125 LEU 21.591 0.446 6 0 "[ . 1 ]" 1 129 LYS 21.591 0.446 6 0 "[ . 1 ]" 1 130 MET 6.676 0.342 4 0 "[ . 1 ]" 1 131 LYS 10.219 0.254 7 0 "[ . 1 ]" 1 132 LEU 5.179 0.188 5 0 "[ . 1 ]" 1 133 VAL 12.996 0.323 1 0 "[ . 1 ]" 1 134 SER 2.324 0.208 1 0 "[ . 1 ]" 1 136 VAL 0.826 0.137 2 0 "[ . 1 ]" 1 137 SER 1.308 0.082 4 0 "[ . 1 ]" 1 138 ASP 3.791 0.176 9 0 "[ . 1 ]" 1 139 GLU 1.331 0.110 8 0 "[ . 1 ]" 1 140 LYS 3.805 0.148 2 0 "[ . 1 ]" 1 141 PHE 6.311 0.201 2 0 "[ . 1 ]" 1 142 LYS 3.791 0.176 9 0 "[ . 1 ]" 1 143 GLU 1.331 0.110 8 0 "[ . 1 ]" 1 144 LEU 3.805 0.148 2 0 "[ . 1 ]" 1 145 GLY 5.003 0.201 2 0 "[ . 1 ]" 1 150 GLY 2.263 0.121 1 0 "[ . 1 ]" 1 151 TRP 7.637 0.372 5 0 "[ . 1 ]" 1 152 ASP 11.433 0.425 4 0 "[ . 1 ]" 1 153 GLU 12.865 0.470 7 0 "[ . 1 ]" 1 154 VAL 2.263 0.121 1 0 "[ . 1 ]" 1 155 VAL 7.637 0.372 5 0 "[ . 1 ]" 1 156 GLY 11.433 0.425 4 0 "[ . 1 ]" 1 157 LYS 12.865 0.470 7 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 38 ALA H 1 130 MET O 3.150 3.130 3.170 3.015 2.910 3.167 0.220 8 0 "[ . 1 ]" 4 2 1 38 ALA N 1 130 MET C 4.850 4.830 4.870 5.019 4.894 5.099 0.229 4 0 "[ . 1 ]" 4 3 1 38 ALA N 1 130 MET O 3.540 3.520 3.560 3.825 3.699 3.902 0.342 4 0 "[ . 1 ]" 4 4 1 38 ALA H 1 130 MET C 4.180 4.160 4.200 4.188 4.122 4.300 0.100 5 0 "[ . 1 ]" 4 5 1 38 ALA O 1 132 LEU H 2.150 2.130 2.170 2.176 2.114 2.234 0.064 5 0 "[ . 1 ]" 4 6 1 38 ALA C 1 132 LEU N 4.350 4.330 4.370 4.239 4.142 4.301 0.188 5 0 "[ . 1 ]" 4 7 1 38 ALA O 1 132 LEU N 3.140 3.120 3.160 3.104 3.051 3.160 0.069 11 0 "[ . 1 ]" 4 8 1 38 ALA C 1 132 LEU H 3.380 3.360 3.400 3.276 3.193 3.326 0.167 5 0 "[ . 1 ]" 4 9 1 40 VAL H 1 132 LEU O 2.150 2.130 2.170 2.171 2.081 2.283 0.113 1 0 "[ . 1 ]" 4 10 1 40 VAL N 1 132 LEU C 4.350 4.330 4.370 4.248 4.212 4.295 0.118 10 0 "[ . 1 ]" 4 11 1 40 VAL N 1 132 LEU O 3.140 3.120 3.160 3.064 3.015 3.106 0.105 10 0 "[ . 1 ]" 4 12 1 40 VAL H 1 132 LEU C 3.380 3.360 3.400 3.318 3.258 3.400 0.102 10 0 "[ . 1 ]" 4 13 1 40 VAL O 1 134 SER H 2.150 2.130 2.170 2.294 2.199 2.378 0.208 1 0 "[ . 1 ]" 4 14 1 40 VAL C 1 134 SER N 4.350 4.330 4.370 4.347 4.285 4.405 0.045 1 0 "[ . 1 ]" 4 15 1 40 VAL O 1 134 SER N 3.140 3.120 3.160 3.195 3.148 3.230 0.070 3 0 "[ . 1 ]" 4 16 1 40 VAL C 1 134 SER H 3.380 3.360 3.400 3.400 3.347 3.457 0.057 3 0 "[ . 1 ]" 4 17 1 43 PRO HA 1 136 VAL H 3.900 3.800 4.000 3.738 3.663 3.883 0.137 2 0 "[ . 1 ]" 4 18 1 79 VAL O 1 100 PHE H 3.150 3.130 3.170 3.621 3.599 3.655 0.485 8 0 "[ . 1 ]" 4 19 1 79 VAL C 1 100 PHE N 4.350 4.330 4.370 4.179 4.157 4.209 0.173 11 0 "[ . 1 ]" 4 20 1 79 VAL O 1 100 PHE N 3.140 3.120 3.160 3.006 2.982 3.080 0.138 12 0 "[ . 1 ]" 4 21 1 79 VAL C 1 100 PHE H 4.380 4.360 4.400 4.809 4.775 4.837 0.437 8 0 "[ . 1 ]" 4 22 1 79 VAL H 1 100 PHE O 4.150 4.130 4.170 4.455 4.329 4.502 0.332 8 0 "[ . 1 ]" 4 23 1 79 VAL N 1 100 PHE C 4.350 4.330 4.370 4.346 4.311 4.389 0.019 8 0 "[ . 1 ]" 4 24 1 79 VAL N 1 100 PHE O 5.140 5.120 5.160 5.296 5.168 5.351 0.191 12 0 "[ . 1 ]" 4 25 1 79 VAL H 1 100 PHE C 3.380 3.360 3.400 3.508 3.435 3.571 0.171 9 0 "[ . 1 ]" 4 26 1 81 SER O 1 98 LEU H 4.150 4.130 4.170 4.029 3.899 4.218 0.231 3 0 "[ . 1 ]" 4 27 1 81 SER C 1 98 LEU N 4.350 4.330 4.370 4.394 4.296 4.430 0.060 9 0 "[ . 1 ]" 4 28 1 81 SER O 1 98 LEU N 3.140 3.120 3.160 3.218 3.141 3.304 0.144 9 0 "[ . 1 ]" 4 29 1 81 SER C 1 98 LEU H 4.380 4.360 4.400 5.174 4.996 5.321 0.921 9 12 [**-*****+***] 4 30 1 81 SER H 1 98 LEU O 4.150 4.130 4.170 4.324 4.261 4.359 0.189 8 0 "[ . 1 ]" 4 31 1 81 SER N 1 98 LEU C 4.350 4.330 4.370 4.331 4.291 4.367 0.039 3 0 "[ . 1 ]" 4 32 1 81 SER N 1 98 LEU O 5.140 5.120 5.160 5.221 5.152 5.259 0.099 8 0 "[ . 1 ]" 4 33 1 81 SER H 1 98 LEU C 3.380 3.360 3.400 3.412 3.367 3.455 0.055 8 0 "[ . 1 ]" 4 34 1 78 TYR HA 1 101 THR HA 4.500 4.400 4.600 4.887 4.586 5.022 0.422 4 0 "[ . 1 ]" 4 35 1 80 GLY QA 1 99 THR HA 3.100 3.000 3.200 3.781 3.718 3.838 0.638 8 12 [****-**+****] 4 36 1 78 TYR O 1 124 LYS H 2.150 2.130 2.170 2.242 2.169 2.288 0.118 8 0 "[ . 1 ]" 4 37 1 78 TYR C 1 124 LYS N 4.350 4.330 4.370 4.390 4.289 4.436 0.066 6 0 "[ . 1 ]" 4 38 1 78 TYR O 1 124 LYS N 3.140 3.120 3.160 3.186 3.106 3.255 0.095 8 0 "[ . 1 ]" 4 39 1 78 TYR C 1 124 LYS H 3.380 3.360 3.400 3.464 3.383 3.497 0.097 9 0 "[ . 1 ]" 4 40 1 78 TYR H 1 124 LYS O 2.150 2.130 2.170 2.096 2.045 2.156 0.085 1 0 "[ . 1 ]" 4 41 1 78 TYR N 1 124 LYS C 4.350 4.330 4.370 4.187 4.122 4.204 0.208 4 0 "[ . 1 ]" 4 42 1 78 TYR N 1 124 LYS O 3.140 3.120 3.160 3.025 3.005 3.051 0.115 1 0 "[ . 1 ]" 4 43 1 78 TYR H 1 124 LYS C 3.380 3.360 3.400 3.232 3.163 3.264 0.197 4 0 "[ . 1 ]" 4 44 1 80 GLY O 1 122 ILE H 2.150 2.130 2.170 2.285 2.271 2.305 0.135 9 0 "[ . 1 ]" 4 45 1 80 GLY C 1 122 ILE N 4.350 4.330 4.370 4.247 4.197 4.284 0.133 3 0 "[ . 1 ]" 4 46 1 80 GLY O 1 122 ILE N 3.140 3.120 3.160 3.074 3.014 3.127 0.106 3 0 "[ . 1 ]" 4 47 1 80 GLY C 1 122 ILE H 3.380 3.360 3.400 3.495 3.479 3.530 0.130 2 0 "[ . 1 ]" 4 48 1 80 GLY H 1 122 ILE O 2.150 2.130 2.170 2.258 2.231 2.290 0.120 4 0 "[ . 1 ]" 4 49 1 80 GLY N 1 122 ILE C 4.350 4.330 4.370 4.234 4.186 4.255 0.144 3 0 "[ . 1 ]" 4 50 1 80 GLY N 1 122 ILE O 3.140 3.120 3.160 3.200 3.177 3.241 0.081 4 0 "[ . 1 ]" 4 51 1 80 GLY H 1 122 ILE C 3.380 3.360 3.400 3.285 3.235 3.305 0.125 3 0 "[ . 1 ]" 4 52 1 82 ARG O 1 120 LEU H 4.150 4.130 4.170 4.050 3.915 4.145 0.215 4 0 "[ . 1 ]" 4 53 1 82 ARG C 1 120 LEU N 4.350 4.330 4.370 4.588 4.548 4.639 0.269 9 0 "[ . 1 ]" 4 54 1 82 ARG O 1 120 LEU N 4.140 4.120 4.160 4.113 3.981 4.186 0.139 3 0 "[ . 1 ]" 4 55 1 82 ARG C 1 120 LEU H 4.380 4.360 4.400 4.274 4.213 4.328 0.147 2 0 "[ . 1 ]" 4 56 1 82 ARG H 1 120 LEU O 3.150 3.130 3.170 2.964 2.923 2.999 0.207 4 0 "[ . 1 ]" 4 57 1 82 ARG N 1 120 LEU C 4.350 4.330 4.370 4.556 4.515 4.609 0.239 2 0 "[ . 1 ]" 4 58 1 82 ARG N 1 120 LEU O 4.140 4.120 4.160 3.911 3.877 3.967 0.243 9 0 "[ . 1 ]" 4 59 1 82 ARG H 1 120 LEU C 3.380 3.360 3.400 3.588 3.541 3.643 0.243 8 0 "[ . 1 ]" 4 60 1 125 LEU O 1 129 LYS H 3.150 3.130 3.170 3.531 3.518 3.545 0.375 1 0 "[ . 1 ]" 4 61 1 125 LEU C 1 129 LYS N 4.350 4.330 4.370 4.521 4.501 4.538 0.168 12 0 "[ . 1 ]" 4 62 1 125 LEU O 1 129 LYS N 3.140 3.120 3.160 3.565 3.500 3.606 0.446 6 0 "[ . 1 ]" 4 63 1 125 LEU C 1 129 LYS H 4.380 4.360 4.400 4.268 4.231 4.311 0.129 6 0 "[ . 1 ]" 4 64 1 125 LEU H 1 129 LYS O 2.150 2.130 2.170 2.417 2.365 2.496 0.326 4 0 "[ . 1 ]" 4 65 1 125 LEU N 1 129 LYS C 4.350 4.330 4.370 4.008 3.968 4.041 0.362 4 0 "[ . 1 ]" 4 66 1 125 LEU N 1 129 LYS O 3.140 3.120 3.160 3.124 3.091 3.187 0.029 6 0 "[ . 1 ]" 4 67 1 125 LEU H 1 129 LYS C 3.380 3.360 3.400 3.150 3.125 3.177 0.235 8 0 "[ . 1 ]" 4 68 1 123 LEU O 1 131 LYS H 2.150 2.130 2.170 2.290 2.256 2.333 0.163 8 0 "[ . 1 ]" 4 69 1 123 LEU C 1 131 LYS N 4.350 4.330 4.370 4.114 4.076 4.159 0.254 7 0 "[ . 1 ]" 4 70 1 123 LEU O 1 131 LYS N 3.140 3.120 3.160 2.998 2.961 3.029 0.159 7 0 "[ . 1 ]" 4 71 1 123 LEU C 1 131 LYS H 3.380 3.360 3.400 3.288 3.251 3.309 0.109 7 0 "[ . 1 ]" 4 72 1 123 LEU H 1 131 LYS O 2.150 2.130 2.170 2.239 2.199 2.286 0.116 1 0 "[ . 1 ]" 4 73 1 123 LEU N 1 131 LYS C 4.350 4.330 4.370 4.198 4.120 4.229 0.210 1 0 "[ . 1 ]" 4 74 1 123 LEU N 1 131 LYS O 3.140 3.120 3.160 3.022 3.005 3.047 0.115 7 0 "[ . 1 ]" 4 75 1 123 LEU H 1 131 LYS C 3.380 3.360 3.400 3.337 3.271 3.358 0.089 1 0 "[ . 1 ]" 4 76 1 121 LEU O 1 133 VAL H 2.150 2.130 2.170 2.188 2.129 2.251 0.081 1 0 "[ . 1 ]" 4 77 1 121 LEU C 1 133 VAL N 4.350 4.330 4.370 4.098 4.007 4.131 0.323 1 0 "[ . 1 ]" 4 78 1 121 LEU O 1 133 VAL N 3.140 3.120 3.160 3.030 2.964 3.067 0.156 1 0 "[ . 1 ]" 4 79 1 121 LEU C 1 133 VAL H 3.380 3.360 3.400 3.193 3.168 3.216 0.192 1 0 "[ . 1 ]" 4 80 1 121 LEU H 1 133 VAL O 2.150 2.130 2.170 2.338 2.270 2.404 0.234 10 0 "[ . 1 ]" 4 81 1 121 LEU N 1 133 VAL C 4.350 4.330 4.370 4.137 4.070 4.213 0.260 1 0 "[ . 1 ]" 4 82 1 121 LEU N 1 133 VAL O 3.140 3.120 3.160 2.947 2.912 3.003 0.208 12 0 "[ . 1 ]" 4 83 1 121 LEU H 1 133 VAL C 3.380 3.360 3.400 3.436 3.388 3.499 0.099 3 0 "[ . 1 ]" 4 84 1 52 PHE O 1 56 LEU H 2.150 2.130 2.170 2.149 2.089 2.208 0.041 1 0 "[ . 1 ]" 4 85 1 52 PHE C 1 56 LEU N 4.350 4.330 4.370 4.306 4.215 4.370 0.115 8 0 "[ . 1 ]" 4 86 1 52 PHE O 1 56 LEU N 3.140 3.120 3.160 3.114 3.028 3.182 0.092 8 0 "[ . 1 ]" 4 87 1 52 PHE C 1 56 LEU H 3.380 3.360 3.400 3.337 3.267 3.396 0.093 8 0 "[ . 1 ]" 4 88 1 53 SER O 1 57 TRP H 2.150 2.130 2.170 2.261 2.230 2.305 0.135 7 0 "[ . 1 ]" 4 89 1 53 SER C 1 57 TRP N 4.350 4.330 4.370 4.401 4.343 4.431 0.061 8 0 "[ . 1 ]" 4 90 1 53 SER O 1 57 TRP N 3.140 3.120 3.160 3.173 3.115 3.204 0.044 8 0 "[ . 1 ]" 4 91 1 53 SER C 1 57 TRP H 3.380 3.360 3.400 3.480 3.444 3.519 0.119 7 0 "[ . 1 ]" 4 92 1 54 LYS O 1 58 SER H 2.150 2.130 2.170 2.374 2.316 2.440 0.270 6 0 "[ . 1 ]" 4 93 1 54 LYS C 1 58 SER N 4.350 4.330 4.370 4.107 3.996 4.192 0.334 7 0 "[ . 1 ]" 4 94 1 54 LYS O 1 58 SER N 3.140 3.120 3.160 3.043 2.976 3.101 0.144 7 0 "[ . 1 ]" 4 95 1 54 LYS C 1 58 SER H 3.380 3.360 3.400 3.295 3.252 3.342 0.108 5 0 "[ . 1 ]" 4 96 1 55 VAL O 1 59 ALA H 2.150 2.130 2.170 2.366 2.183 2.499 0.329 6 0 "[ . 1 ]" 4 97 1 55 VAL C 1 59 ALA N 4.350 4.330 4.370 4.045 4.001 4.067 0.329 6 0 "[ . 1 ]" 4 98 1 55 VAL O 1 59 ALA N 3.140 3.120 3.160 3.128 3.015 3.200 0.105 8 0 "[ . 1 ]" 4 99 1 55 VAL C 1 59 ALA H 3.380 3.360 3.400 3.141 3.106 3.162 0.254 7 0 "[ . 1 ]" 4 100 1 66 SER O 1 70 ARG H 2.150 2.130 2.170 2.410 2.372 2.449 0.279 7 0 "[ . 1 ]" 4 101 1 66 SER C 1 70 ARG N 4.350 4.330 4.370 4.450 4.382 4.476 0.106 4 0 "[ . 1 ]" 4 102 1 66 SER O 1 70 ARG N 3.140 3.120 3.160 3.350 3.313 3.382 0.222 7 0 "[ . 1 ]" 4 103 1 66 SER C 1 70 ARG H 3.380 3.360 3.400 3.479 3.418 3.504 0.104 4 0 "[ . 1 ]" 4 104 1 67 GLU O 1 71 ILE H 2.150 2.130 2.170 2.142 2.085 2.194 0.045 9 0 "[ . 1 ]" 4 105 1 67 GLU C 1 71 ILE N 4.350 4.330 4.370 4.221 4.196 4.276 0.134 11 0 "[ . 1 ]" 4 106 1 67 GLU O 1 71 ILE N 3.140 2.120 3.160 3.048 3.005 3.117 . 0 0 "[ . 1 ]" 4 107 1 67 GLU C 1 71 ILE H 3.380 3.360 3.400 3.277 3.250 3.333 0.110 9 0 "[ . 1 ]" 4 108 1 68 GLY O 1 72 ILE H 2.150 2.130 2.170 1.995 1.968 2.022 0.162 4 0 "[ . 1 ]" 4 109 1 68 GLY C 1 72 ILE N 4.350 4.330 4.370 4.141 4.118 4.170 0.212 5 0 "[ . 1 ]" 4 110 1 68 GLY O 1 72 ILE N 3.140 3.120 3.160 2.950 2.922 2.978 0.198 4 0 "[ . 1 ]" 4 111 1 68 GLY C 1 72 ILE H 3.380 3.360 3.400 3.182 3.154 3.212 0.206 5 0 "[ . 1 ]" 4 112 1 108 ALA O 1 112 GLN H 2.150 2.130 2.170 2.214 2.147 2.282 0.112 1 0 "[ . 1 ]" 4 113 1 108 ALA C 1 112 GLN N 4.350 4.330 4.370 4.263 4.228 4.326 0.102 6 0 "[ . 1 ]" 4 114 1 108 ALA O 1 112 GLN N 3.140 3.120 3.160 3.091 3.051 3.156 0.069 12 0 "[ . 1 ]" 4 115 1 108 ALA C 1 112 GLN H 3.380 3.360 3.400 3.353 3.314 3.410 0.046 8 0 "[ . 1 ]" 4 116 1 109 SER O 1 113 GLU H 2.150 2.130 2.170 2.371 2.323 2.388 0.218 10 0 "[ . 1 ]" 4 117 1 109 SER C 1 113 GLU N 4.350 4.330 4.370 4.302 4.252 4.327 0.078 8 0 "[ . 1 ]" 4 118 1 109 SER O 1 113 GLU N 3.140 3.120 3.160 3.260 3.213 3.280 0.120 5 0 "[ . 1 ]" 4 119 1 109 SER C 1 113 GLU H 3.380 3.360 3.400 3.347 3.296 3.369 0.064 8 0 "[ . 1 ]" 4 120 1 110 LYS O 1 114 PHE H 2.150 2.130 2.170 2.094 2.031 2.128 0.099 9 0 "[ . 1 ]" 4 121 1 110 LYS C 1 114 PHE N 4.350 4.330 4.370 4.254 4.185 4.290 0.145 9 0 "[ . 1 ]" 4 122 1 110 LYS O 1 114 PHE N 3.140 3.120 3.160 3.054 2.971 3.086 0.149 9 0 "[ . 1 ]" 4 123 1 110 LYS C 1 114 PHE H 3.380 3.360 3.400 3.300 3.248 3.348 0.112 9 0 "[ . 1 ]" 4 124 1 137 SER O 1 141 PHE H 2.150 2.130 2.170 2.141 2.078 2.186 0.052 4 0 "[ . 1 ]" 4 125 1 137 SER C 1 141 PHE N 4.350 4.330 4.370 4.292 4.248 4.312 0.082 4 0 "[ . 1 ]" 4 126 1 137 SER O 1 141 PHE N 3.140 3.120 3.160 3.101 3.041 3.143 0.079 4 0 "[ . 1 ]" 4 127 1 137 SER C 1 141 PHE H 3.380 3.360 3.400 3.322 3.283 3.361 0.077 4 0 "[ . 1 ]" 4 128 1 138 ASP O 1 142 LYS H 2.150 2.130 2.170 2.132 2.086 2.157 0.044 3 0 "[ . 1 ]" 4 129 1 138 ASP C 1 142 LYS N 4.350 4.330 4.370 4.204 4.154 4.243 0.176 9 0 "[ . 1 ]" 4 130 1 138 ASP O 1 142 LYS N 3.140 3.120 3.160 3.047 3.029 3.059 0.091 9 0 "[ . 1 ]" 4 131 1 138 ASP C 1 142 LYS H 3.380 3.360 3.400 3.251 3.191 3.280 0.169 9 0 "[ . 1 ]" 4 132 1 139 GLU O 1 143 GLU H 2.150 2.130 2.170 2.252 2.232 2.280 0.110 8 0 "[ . 1 ]" 4 133 1 139 GLU C 1 143 GLU N 4.350 4.330 4.370 4.343 4.285 4.373 0.045 3 0 "[ . 1 ]" 4 134 1 139 GLU O 1 143 GLU N 3.140 3.120 3.160 3.178 3.155 3.217 0.057 5 0 "[ . 1 ]" 4 135 1 139 GLU C 1 143 GLU H 3.380 3.360 3.400 3.388 3.315 3.425 0.045 3 0 "[ . 1 ]" 4 136 1 140 LYS O 1 144 LEU H 2.150 2.130 2.170 2.294 2.253 2.318 0.148 2 0 "[ . 1 ]" 4 137 1 140 LYS C 1 144 LEU N 4.350 4.330 4.370 4.421 4.372 4.439 0.069 3 0 "[ . 1 ]" 4 138 1 140 LYS O 1 144 LEU N 3.140 3.120 3.160 3.224 3.179 3.246 0.086 10 0 "[ . 1 ]" 4 139 1 140 LYS C 1 144 LEU H 3.380 3.360 3.400 3.478 3.417 3.509 0.109 3 0 "[ . 1 ]" 4 140 1 141 PHE O 1 145 GLY H 2.150 2.130 2.170 2.085 2.073 2.093 0.057 9 0 "[ . 1 ]" 4 141 1 141 PHE C 1 145 GLY N 4.350 4.330 4.370 4.185 4.142 4.250 0.188 2 0 "[ . 1 ]" 4 142 1 141 PHE O 1 145 GLY N 3.140 3.120 3.160 2.966 2.919 3.040 0.201 2 0 "[ . 1 ]" 4 143 1 141 PHE C 1 145 GLY H 3.380 3.360 3.400 3.288 3.281 3.301 0.079 7 0 "[ . 1 ]" 4 144 1 150 GLY O 1 154 VAL H 2.150 2.130 2.170 2.184 2.115 2.238 0.068 9 0 "[ . 1 ]" 4 145 1 150 GLY C 1 154 VAL N 4.350 4.330 4.370 4.237 4.209 4.289 0.121 1 0 "[ . 1 ]" 4 146 1 150 GLY O 1 154 VAL N 3.140 3.120 3.160 3.110 3.068 3.166 0.052 10 0 "[ . 1 ]" 4 147 1 150 GLY C 1 154 VAL H 3.380 3.360 3.400 3.303 3.282 3.336 0.078 1 0 "[ . 1 ]" 4 148 1 151 TRP O 1 155 VAL H 2.150 2.130 2.170 2.253 2.227 2.315 0.145 5 0 "[ . 1 ]" 4 149 1 151 TRP C 1 155 VAL N 4.350 4.330 4.370 4.060 3.958 4.120 0.372 5 0 "[ . 1 ]" 4 150 1 151 TRP O 1 155 VAL N 3.140 3.120 3.160 2.940 2.856 2.984 0.264 5 0 "[ . 1 ]" 4 151 1 151 TRP C 1 155 VAL H 3.380 3.360 3.400 3.256 3.189 3.289 0.171 9 0 "[ . 1 ]" 4 152 1 152 ASP O 1 156 GLY H 2.150 2.130 2.170 2.566 2.544 2.595 0.425 4 0 "[ . 1 ]" 4 153 1 152 ASP C 1 156 GLY N 4.350 4.330 4.370 3.957 3.932 3.981 0.398 4 0 "[ . 1 ]" 4 154 1 152 ASP O 1 156 GLY N 3.140 3.120 3.160 3.026 2.972 3.080 0.148 2 0 "[ . 1 ]" 4 155 1 152 ASP C 1 156 GLY H 3.380 3.360 3.400 3.271 3.204 3.311 0.156 5 0 "[ . 1 ]" 4 156 1 153 GLU O 1 157 LYS H 2.150 2.130 2.170 2.567 2.529 2.600 0.430 3 0 "[ . 1 ]" 4 157 1 153 GLU C 1 157 LYS N 4.350 4.330 4.370 3.905 3.860 3.959 0.470 7 0 "[ . 1 ]" 4 158 1 153 GLU O 1 157 LYS N 3.140 3.120 3.160 3.101 3.065 3.164 0.055 10 0 "[ . 1 ]" 4 159 1 153 GLU C 1 157 LYS H 3.380 3.360 3.400 3.134 3.112 3.150 0.248 7 0 "[ . 1 ]" 4 stop_ save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 1:30:59 PM GMT (wattos1)