NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
399049 | 1tv0 | 6264 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tv0 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 580 _Distance_constraint_stats_list.Viol_count 468 _Distance_constraint_stats_list.Viol_total 624.282 _Distance_constraint_stats_list.Viol_max 0.988 _Distance_constraint_stats_list.Viol_rms 0.0280 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0027 _Distance_constraint_stats_list.Viol_average_violations_only 0.0667 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLY 0.292 0.258 3 0 "[ . 1 . 2]" 1 2 LEU 0.327 0.258 3 0 "[ . 1 . 2]" 1 3 LEU 0.094 0.033 17 0 "[ . 1 . 2]" 1 4 CYS 2.626 0.519 2 1 "[ + . 1 . 2]" 1 5 TYR 0.214 0.020 4 0 "[ . 1 . 2]" 1 6 CYS 0.662 0.066 12 0 "[ . 1 . 2]" 1 7 ARG 0.999 0.117 6 0 "[ . 1 . 2]" 1 8 LYS 1.138 0.533 3 1 "[ + . 1 . 2]" 1 9 GLY 2.765 0.988 11 2 "[ . 1+ . - 2]" 1 10 HIS 5.420 0.988 11 4 "[ * - 1+ . * 2]" 1 11 CYS 3.678 0.937 7 1 "[ . + 1 . 2]" 1 12 LYS 2.208 0.191 19 0 "[ . 1 . 2]" 1 13 ARG 3.454 0.192 17 0 "[ . 1 . 2]" 1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 GLU 3.516 0.583 5 1 "[ + 1 . 2]" 1 16 ARG 0.617 0.099 15 0 "[ . 1 . 2]" 1 17 VAL 0.876 0.091 8 0 "[ . 1 . 2]" 1 18 ARG 1.146 0.106 19 0 "[ . 1 . 2]" 1 19 GLY 6.570 0.450 13 0 "[ . 1 . 2]" 1 20 THR 7.413 0.450 13 0 "[ . 1 . 2]" 1 21 CYS 0.095 0.042 16 0 "[ . 1 . 2]" 1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 ILE 0.123 0.014 14 0 "[ . 1 . 2]" 1 24 ARG 0.993 0.192 17 0 "[ . 1 . 2]" 1 25 PHE 0.720 0.533 3 1 "[ + . 1 . 2]" 1 26 LEU 4.628 0.937 7 1 "[ . + 1 . 2]" 1 27 TYR 3.533 0.082 18 0 "[ . 1 . 2]" 1 28 CYS 1.080 0.117 6 0 "[ . 1 . 2]" 1 29 CYS 2.619 0.519 2 1 "[ + . 1 . 2]" 1 30 PRO 1.486 0.220 6 0 "[ . 1 . 2]" 1 31 ARG 1.624 0.220 6 0 "[ . 1 . 2]" 1 32 ARG 1.396 0.192 17 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 GLY QA 1 2 LEU HB2 3.400 . 4.800 4.429 3.829 5.058 0.258 3 0 "[ . 1 . 2]" 1 2 1 1 GLY QA 1 2 LEU QB 5.100 . 6.000 3.957 3.372 4.326 . 0 0 "[ . 1 . 2]" 1 3 1 1 GLY QA 1 2 LEU H 2.900 . 3.900 2.418 2.108 2.917 . 0 0 "[ . 1 . 2]" 1 4 1 2 LEU H 1 2 LEU HA 2.500 . 3.300 2.759 2.569 2.807 . 0 0 "[ . 1 . 2]" 1 5 1 2 LEU H 1 2 LEU QB 2.800 . 3.800 2.305 1.896 2.744 . 0 0 "[ . 1 . 2]" 1 6 1 2 LEU HA 1 2 LEU QB 3.100 . 4.300 2.226 2.137 2.374 . 0 0 "[ . 1 . 2]" 1 7 1 2 LEU HA 1 2 LEU QD 3.500 . 5.000 2.542 1.971 3.418 0.029 2 0 "[ . 1 . 2]" 1 8 1 2 LEU HA 1 3 LEU H 2.400 . 3.100 2.457 2.144 3.106 0.006 16 0 "[ . 1 . 2]" 1 9 1 3 LEU H 1 3 LEU QB 2.600 . 3.500 2.365 1.874 2.905 . 0 0 "[ . 1 . 2]" 1 10 1 3 LEU H 1 3 LEU QD 3.800 . 5.600 3.275 1.997 4.086 0.003 15 0 "[ . 1 . 2]" 1 11 1 3 LEU H 1 4 CYS H 3.900 . 5.800 4.022 2.491 4.609 . 0 0 "[ . 1 . 2]" 1 12 1 3 LEU HA 1 3 LEU QB 2.600 . 3.400 2.274 2.144 2.383 . 0 0 "[ . 1 . 2]" 1 13 1 3 LEU HA 1 3 LEU QD 3.300 . 4.600 2.208 1.989 3.340 0.011 11 0 "[ . 1 . 2]" 1 14 1 3 LEU HA 1 4 CYS H 2.200 . 2.800 2.363 2.147 2.747 . 0 0 "[ . 1 . 2]" 1 15 1 3 LEU HA 1 4 CYS HB2 5.600 . 6.000 4.975 4.702 5.352 . 0 0 "[ . 1 . 2]" 1 16 1 3 LEU HA 1 5 TYR QE 5.000 . 6.000 5.387 4.129 5.928 . 0 0 "[ . 1 . 2]" 1 17 1 3 LEU HA 1 30 PRO HG2 3.900 . 5.800 5.506 4.505 5.833 0.033 17 0 "[ . 1 . 2]" 1 18 1 3 LEU QB 1 4 CYS H 3.600 . 5.200 3.316 1.993 4.034 0.007 9 0 "[ . 1 . 2]" 1 19 1 3 LEU QB 1 5 TYR QE 3.300 . 4.700 3.634 2.565 4.711 0.011 11 0 "[ . 1 . 2]" 1 20 1 3 LEU QD 1 4 CYS H 3.000 . 6.000 3.406 1.914 4.458 . 0 0 "[ . 1 . 2]" 1 21 1 3 LEU QD 1 5 TYR QD 3.500 . 6.000 5.011 3.656 5.949 . 0 0 "[ . 1 . 2]" 1 22 1 3 LEU QD 1 5 TYR QE 2.800 . 6.000 3.895 2.191 5.422 . 0 0 "[ . 1 . 2]" 1 23 1 4 CYS H 1 4 CYS HA 3.000 . 4.200 2.884 2.803 2.931 . 0 0 "[ . 1 . 2]" 1 24 1 4 CYS H 1 4 CYS HB2 2.600 . 3.400 2.655 2.536 2.836 . 0 0 "[ . 1 . 2]" 1 25 1 4 CYS H 1 4 CYS HB3 4.200 . 6.000 3.627 3.573 3.687 . 0 0 "[ . 1 . 2]" 1 26 1 4 CYS H 1 5 TYR H 5.500 . 6.000 4.568 4.501 4.642 . 0 0 "[ . 1 . 2]" 1 27 1 4 CYS H 1 27 TYR QD 5.200 . 6.000 5.848 5.160 6.041 0.041 7 0 "[ . 1 . 2]" 1 28 1 4 CYS H 1 27 TYR QE 6.000 . 6.000 4.488 4.036 4.815 . 0 0 "[ . 1 . 2]" 1 29 1 4 CYS H 1 29 CYS HA 5.900 . 6.000 4.696 4.031 5.079 . 0 0 "[ . 1 . 2]" 1 30 1 4 CYS HA 1 4 CYS HB2 3.000 . 4.100 3.016 2.989 3.027 . 0 0 "[ . 1 . 2]" 1 31 1 4 CYS HA 1 4 CYS HB3 2.300 . 2.900 2.386 2.309 2.435 . 0 0 "[ . 1 . 2]" 1 32 1 4 CYS HA 1 5 TYR H 2.200 . 2.800 2.401 2.220 2.646 . 0 0 "[ . 1 . 2]" 1 33 1 4 CYS HA 1 5 TYR QD 3.400 . 4.800 3.690 3.219 4.257 . 0 0 "[ . 1 . 2]" 1 34 1 4 CYS HA 1 5 TYR QE 4.900 . 6.000 4.659 4.162 5.181 . 0 0 "[ . 1 . 2]" 1 35 1 4 CYS HA 1 29 CYS HA 2.200 . 2.800 2.206 1.915 2.482 . 0 0 "[ . 1 . 2]" 1 36 1 4 CYS HA 1 29 CYS HB2 4.200 . 6.000 3.898 3.081 5.232 . 0 0 "[ . 1 . 2]" 1 37 1 4 CYS HA 1 30 PRO HD2 3.400 . 4.800 2.983 2.350 3.740 . 0 0 "[ . 1 . 2]" 1 38 1 4 CYS HB2 1 5 TYR H 3.800 . 5.600 3.467 2.862 3.915 . 0 0 "[ . 1 . 2]" 1 39 1 4 CYS HB2 1 27 TYR QE 2.700 . 3.600 2.364 1.943 2.820 . 0 0 "[ . 1 . 2]" 1 40 1 4 CYS HB2 1 29 CYS HA 5.300 . 6.000 4.492 3.782 5.138 . 0 0 "[ . 1 . 2]" 1 41 1 4 CYS HB3 1 5 TYR H 2.500 . 3.300 2.596 2.097 3.013 . 0 0 "[ . 1 . 2]" 1 42 1 4 CYS HB3 1 5 TYR QD 5.700 . 6.000 5.253 4.660 5.751 . 0 0 "[ . 1 . 2]" 1 43 1 4 CYS HB3 1 27 TYR QE 3.700 . 5.400 3.194 2.507 3.852 . 0 0 "[ . 1 . 2]" 1 44 1 4 CYS HB3 1 28 CYS H 3.500 . 5.100 3.893 3.199 4.499 . 0 0 "[ . 1 . 2]" 1 45 1 4 CYS HB3 1 29 CYS HA 3.300 . 4.600 3.142 2.319 3.985 . 0 0 "[ . 1 . 2]" 1 46 1 4 CYS HB3 1 29 CYS HB2 2.900 . 3.900 3.217 2.220 4.419 0.519 2 1 "[ + . 1 . 2]" 1 47 1 4 CYS HB3 1 29 CYS HB3 3.600 . 5.200 4.219 3.915 4.825 . 0 0 "[ . 1 . 2]" 1 48 1 4 CYS HB3 1 30 PRO HD2 5.100 . 6.000 4.797 3.940 5.558 . 0 0 "[ . 1 . 2]" 1 49 1 5 TYR H 1 5 TYR HA 3.000 . 4.100 2.932 2.910 2.948 . 0 0 "[ . 1 . 2]" 1 50 1 5 TYR H 1 5 TYR HB2 2.600 . 3.500 2.753 2.598 2.857 . 0 0 "[ . 1 . 2]" 1 51 1 5 TYR H 1 5 TYR HB3 3.700 . 5.400 3.841 3.746 3.902 . 0 0 "[ . 1 . 2]" 1 52 1 5 TYR H 1 5 TYR QD 3.300 . 4.600 3.286 2.936 3.575 . 0 0 "[ . 1 . 2]" 1 53 1 5 TYR H 1 5 TYR QE 6.000 . 6.000 5.100 4.838 5.346 . 0 0 "[ . 1 . 2]" 1 54 1 5 TYR H 1 6 CYS H 5.800 . 6.000 4.396 4.256 4.482 . 0 0 "[ . 1 . 2]" 1 55 1 5 TYR H 1 27 TYR QD 5.300 . 6.000 4.896 4.446 5.269 . 0 0 "[ . 1 . 2]" 1 56 1 5 TYR H 1 27 TYR QE 3.600 . 5.200 4.926 4.517 5.206 0.006 15 0 "[ . 1 . 2]" 1 57 1 5 TYR H 1 28 CYS H 2.800 . 3.800 3.281 2.632 3.816 0.016 15 0 "[ . 1 . 2]" 1 58 1 5 TYR H 1 28 CYS HB3 3.900 . 5.800 3.950 2.987 5.284 . 0 0 "[ . 1 . 2]" 1 59 1 5 TYR H 1 29 CYS HA 3.700 . 5.400 3.310 2.788 3.844 . 0 0 "[ . 1 . 2]" 1 60 1 5 TYR H 1 30 PRO HD2 5.700 . 6.000 4.866 3.582 5.723 . 0 0 "[ . 1 . 2]" 1 61 1 5 TYR HA 1 5 TYR HB3 2.500 . 3.300 2.472 2.406 2.509 . 0 0 "[ . 1 . 2]" 1 62 1 5 TYR HA 1 5 TYR QD 3.100 . 4.300 2.698 2.393 2.913 . 0 0 "[ . 1 . 2]" 1 63 1 5 TYR HA 1 5 TYR QE 3.400 . 4.800 4.590 4.484 4.676 . 0 0 "[ . 1 . 2]" 1 64 1 5 TYR HA 1 6 CYS H 2.200 . 2.800 2.310 2.166 2.592 . 0 0 "[ . 1 . 2]" 1 65 1 5 TYR HA 1 6 CYS HA 5.400 . 6.000 4.361 4.329 4.460 . 0 0 "[ . 1 . 2]" 1 66 1 5 TYR HA 1 6 CYS HB3 5.700 . 6.000 4.784 4.214 5.744 . 0 0 "[ . 1 . 2]" 1 67 1 5 TYR HA 1 27 TYR QE 3.300 . 6.000 4.944 4.366 5.462 . 0 0 "[ . 1 . 2]" 1 68 1 5 TYR HB2 1 5 TYR QD 2.500 . 3.300 2.328 2.279 2.388 . 0 0 "[ . 1 . 2]" 1 69 1 5 TYR HB2 1 6 CYS H 4.600 . 6.000 3.788 3.166 4.108 . 0 0 "[ . 1 . 2]" 1 70 1 5 TYR HB2 1 7 ARG HB2 4.100 . 6.000 5.767 5.175 6.020 0.020 4 0 "[ . 1 . 2]" 1 71 1 5 TYR HB2 1 7 ARG HE 3.700 . 5.400 3.724 2.965 5.072 . 0 0 "[ . 1 . 2]" 1 72 1 5 TYR HB2 1 7 ARG QG 3.300 . 4.700 3.551 3.211 4.382 . 0 0 "[ . 1 . 2]" 1 73 1 5 TYR HB2 1 7 ARG QH 4.200 . 6.000 3.749 2.252 4.896 . 0 0 "[ . 1 . 2]" 1 74 1 5 TYR HB2 1 28 CYS H 4.200 . 6.000 4.560 4.019 4.974 . 0 0 "[ . 1 . 2]" 1 75 1 5 TYR HB3 1 5 TYR QD 2.500 . 3.300 2.499 2.407 2.622 . 0 0 "[ . 1 . 2]" 1 76 1 5 TYR HB3 1 6 CYS H 2.600 . 3.500 2.426 2.031 3.074 . 0 0 "[ . 1 . 2]" 1 77 1 5 TYR HB3 1 7 ARG HE 3.600 . 5.200 4.459 3.694 5.216 0.016 11 0 "[ . 1 . 2]" 1 78 1 5 TYR HB3 1 7 ARG QG 3.000 . 4.100 3.818 3.141 4.106 0.006 1 0 "[ . 1 . 2]" 1 79 1 5 TYR HB3 1 7 ARG HG3 3.100 . 4.300 2.990 2.232 3.876 . 0 0 "[ . 1 . 2]" 1 80 1 5 TYR HB3 1 7 ARG QH 4.000 . 6.000 4.142 1.980 5.327 0.020 11 0 "[ . 1 . 2]" 1 81 1 5 TYR QD 1 6 CYS H 4.400 . 6.000 3.789 3.537 4.266 . 0 0 "[ . 1 . 2]" 1 82 1 5 TYR QD 1 7 ARG QD 5.200 . 6.000 5.654 4.635 6.019 0.019 6 0 "[ . 1 . 2]" 1 83 1 5 TYR QD 1 7 ARG HE 4.700 . 6.000 4.715 3.982 5.808 . 0 0 "[ . 1 . 2]" 1 84 1 5 TYR QD 1 7 ARG QG 4.900 . 6.000 5.023 4.778 5.591 . 0 0 "[ . 1 . 2]" 1 85 1 5 TYR QD 1 7 ARG QH 3.800 . 5.600 3.913 2.346 4.628 . 0 0 "[ . 1 . 2]" 1 86 1 5 TYR QD 1 7 ARG HH12 3.400 . 4.800 3.952 2.370 4.683 . 0 0 "[ . 1 . 2]" 1 87 1 5 TYR QD 1 29 CYS HA 4.800 . 6.000 4.330 3.828 4.896 . 0 0 "[ . 1 . 2]" 1 88 1 5 TYR QD 1 30 PRO HD2 4.400 . 6.000 4.638 2.785 5.611 . 0 0 "[ . 1 . 2]" 1 89 1 5 TYR QD 1 30 PRO HD3 4.100 . 6.000 3.449 2.449 4.179 . 0 0 "[ . 1 . 2]" 1 90 1 5 TYR QD 1 30 PRO HG3 4.700 . 6.000 4.194 2.996 5.448 . 0 0 "[ . 1 . 2]" 1 91 1 5 TYR QE 1 30 PRO HD2 4.600 . 6.000 4.813 3.801 5.790 . 0 0 "[ . 1 . 2]" 1 92 1 5 TYR QE 1 30 PRO HD3 4.400 . 6.000 4.046 3.357 4.953 . 0 0 "[ . 1 . 2]" 1 93 1 5 TYR QE 1 30 PRO HG2 4.700 . 6.000 4.549 3.258 5.837 . 0 0 "[ . 1 . 2]" 1 94 1 5 TYR QE 1 30 PRO HG3 3.900 . 5.800 3.531 2.035 4.888 . 0 0 "[ . 1 . 2]" 1 95 1 6 CYS H 1 6 CYS HB3 2.700 . 3.600 2.680 2.209 3.666 0.066 12 0 "[ . 1 . 2]" 1 96 1 6 CYS H 1 7 ARG H 5.400 . 6.000 4.467 4.257 4.548 . 0 0 "[ . 1 . 2]" 1 97 1 6 CYS H 1 27 TYR QD 5.100 . 6.000 5.425 4.523 5.875 . 0 0 "[ . 1 . 2]" 1 98 1 6 CYS H 1 27 TYR QE 3.600 . 5.200 4.865 4.076 5.231 0.031 15 0 "[ . 1 . 2]" 1 99 1 6 CYS HA 1 6 CYS HB2 2.700 . 3.600 2.531 2.266 3.028 . 0 0 "[ . 1 . 2]" 1 100 1 6 CYS HA 1 6 CYS HB3 3.000 . 4.100 2.842 2.428 3.026 . 0 0 "[ . 1 . 2]" 1 101 1 6 CYS HA 1 7 ARG H 2.100 . 2.700 2.163 2.129 2.215 . 0 0 "[ . 1 . 2]" 1 102 1 6 CYS HA 1 7 ARG HA 5.500 . 6.000 4.407 4.380 4.442 . 0 0 "[ . 1 . 2]" 1 103 1 6 CYS HA 1 7 ARG HB2 5.000 . 6.000 4.471 4.228 4.613 . 0 0 "[ . 1 . 2]" 1 104 1 6 CYS HA 1 7 ARG HD3 4.200 . 6.000 3.390 3.060 4.172 . 0 0 "[ . 1 . 2]" 1 105 1 6 CYS HA 1 7 ARG QG 5.200 . 6.000 3.951 3.787 4.616 . 0 0 "[ . 1 . 2]" 1 106 1 6 CYS HA 1 26 LEU H 5.000 . 6.000 4.718 4.264 5.570 . 0 0 "[ . 1 . 2]" 1 107 1 6 CYS HA 1 26 LEU QB 5.600 . 6.000 5.927 5.493 6.065 0.065 4 0 "[ . 1 . 2]" 1 108 1 6 CYS HA 1 27 TYR H 5.800 . 6.000 5.497 4.821 5.776 . 0 0 "[ . 1 . 2]" 1 109 1 6 CYS HA 1 27 TYR HA 2.600 . 3.500 2.995 2.387 3.281 . 0 0 "[ . 1 . 2]" 1 110 1 6 CYS HA 1 27 TYR HB2 6.000 . 6.000 5.417 4.945 5.740 . 0 0 "[ . 1 . 2]" 1 111 1 6 CYS HA 1 27 TYR QD 3.300 . 4.700 3.506 3.022 3.902 . 0 0 "[ . 1 . 2]" 1 112 1 6 CYS HA 1 28 CYS H 3.400 . 4.800 3.432 2.464 3.876 . 0 0 "[ . 1 . 2]" 1 113 1 6 CYS HB2 1 7 ARG H 4.500 . 6.000 4.079 3.321 4.403 . 0 0 "[ . 1 . 2]" 1 114 1 6 CYS HB2 1 21 CYS HB3 3.600 . 5.200 3.921 2.126 4.409 . 0 0 "[ . 1 . 2]" 1 115 1 6 CYS HB2 1 27 TYR QE 4.500 . 6.000 3.742 2.460 5.665 . 0 0 "[ . 1 . 2]" 1 116 1 6 CYS HB3 1 7 ARG H 3.700 . 5.400 4.079 3.151 4.475 . 0 0 "[ . 1 . 2]" 1 117 1 6 CYS HB3 1 21 CYS HB3 2.600 . 3.500 2.202 1.840 2.645 . 0 0 "[ . 1 . 2]" 1 118 1 6 CYS HB3 1 27 TYR QD 2.700 . 6.000 5.010 2.139 5.872 . 0 0 "[ . 1 . 2]" 1 119 1 6 CYS HB3 1 27 TYR QE 3.200 . 6.000 4.620 2.665 5.556 . 0 0 "[ . 1 . 2]" 1 120 1 7 ARG H 1 7 ARG HB2 2.500 . 3.300 2.655 2.455 2.828 . 0 0 "[ . 1 . 2]" 1 121 1 7 ARG H 1 7 ARG HB3 3.500 . 5.100 3.778 3.649 3.884 . 0 0 "[ . 1 . 2]" 1 122 1 7 ARG H 1 7 ARG QD 4.600 . 6.000 3.876 3.485 4.190 . 0 0 "[ . 1 . 2]" 1 123 1 7 ARG H 1 7 ARG QG 3.500 . 5.000 3.124 2.605 3.705 . 0 0 "[ . 1 . 2]" 1 124 1 7 ARG H 1 8 LYS H 5.400 . 6.000 4.425 4.250 4.557 . 0 0 "[ . 1 . 2]" 1 125 1 7 ARG H 1 25 PHE HA 5.000 . 6.000 5.146 4.727 5.608 . 0 0 "[ . 1 . 2]" 1 126 1 7 ARG H 1 25 PHE HB2 5.300 . 6.000 5.660 5.338 6.011 0.011 18 0 "[ . 1 . 2]" 1 127 1 7 ARG H 1 25 PHE QD 4.200 . 6.000 4.374 3.410 5.010 . 0 0 "[ . 1 . 2]" 1 128 1 7 ARG H 1 26 LEU H 2.900 . 3.900 3.301 2.922 3.822 . 0 0 "[ . 1 . 2]" 1 129 1 7 ARG H 1 26 LEU HA 5.500 . 6.000 5.201 5.040 5.398 . 0 0 "[ . 1 . 2]" 1 130 1 7 ARG H 1 27 TYR HA 3.700 . 5.400 3.614 3.053 3.877 . 0 0 "[ . 1 . 2]" 1 131 1 7 ARG H 1 27 TYR QD 5.700 . 6.000 4.756 4.334 5.267 . 0 0 "[ . 1 . 2]" 1 132 1 7 ARG H 1 28 CYS H 4.300 . 6.000 3.901 3.256 4.278 . 0 0 "[ . 1 . 2]" 1 133 1 7 ARG HA 1 7 ARG HB2 2.700 . 3.600 3.016 2.976 3.024 . 0 0 "[ . 1 . 2]" 1 134 1 7 ARG HA 1 7 ARG HB3 2.500 . 3.300 2.525 2.473 2.666 . 0 0 "[ . 1 . 2]" 1 135 1 7 ARG HA 1 7 ARG HE 6.000 . 6.000 5.114 4.561 5.676 . 0 0 "[ . 1 . 2]" 1 136 1 7 ARG HA 1 7 ARG QG 3.300 . 4.600 2.515 2.181 2.860 . 0 0 "[ . 1 . 2]" 1 137 1 7 ARG HA 1 8 LYS H 2.300 . 3.000 2.487 2.158 2.661 . 0 0 "[ . 1 . 2]" 1 138 1 7 ARG HB2 1 7 ARG QD 2.300 . 3.000 2.332 2.003 2.892 . 0 0 "[ . 1 . 2]" 1 139 1 7 ARG HB2 1 7 ARG QD 2.200 . 2.800 2.088 1.898 2.554 . 0 0 "[ . 1 . 2]" 1 140 1 7 ARG HB2 1 7 ARG HE 4.400 . 6.000 4.526 4.246 4.729 . 0 0 "[ . 1 . 2]" 1 141 1 7 ARG HB2 1 7 ARG QG 2.000 . 2.500 2.266 2.157 2.509 0.009 11 0 "[ . 1 . 2]" 1 142 1 7 ARG HB2 1 7 ARG HH11 3.600 . 5.200 4.741 3.771 5.315 0.115 18 0 "[ . 1 . 2]" 1 143 1 7 ARG HB2 1 8 LYS H 4.100 . 6.000 3.536 3.211 4.287 . 0 0 "[ . 1 . 2]" 1 144 1 7 ARG HB2 1 10 HIS H 5.100 . 6.000 5.551 4.956 6.018 0.018 20 0 "[ . 1 . 2]" 1 145 1 7 ARG HB2 1 11 CYS HA 3.200 . 4.500 4.070 3.557 4.518 0.018 8 0 "[ . 1 . 2]" 1 146 1 7 ARG HB2 1 26 LEU H 3.900 . 5.800 4.441 4.004 4.972 . 0 0 "[ . 1 . 2]" 1 147 1 7 ARG HB2 1 28 CYS HB2 2.800 . 3.800 3.420 2.693 3.917 0.117 6 0 "[ . 1 . 2]" 1 148 1 7 ARG HB3 1 7 ARG HE 4.800 . 6.000 4.489 4.292 4.738 . 0 0 "[ . 1 . 2]" 1 149 1 7 ARG HB3 1 7 ARG QG 1.900 . 2.300 2.132 2.020 2.180 . 0 0 "[ . 1 . 2]" 1 150 1 7 ARG HB3 1 7 ARG HH11 4.400 . 6.000 4.151 3.396 4.658 . 0 0 "[ . 1 . 2]" 1 151 1 7 ARG HB3 1 8 LYS H 2.600 . 3.400 2.272 1.937 3.304 . 0 0 "[ . 1 . 2]" 1 152 1 7 ARG HB3 1 10 HIS H 3.900 . 5.800 4.661 3.911 5.473 . 0 0 "[ . 1 . 2]" 1 153 1 7 ARG QD 1 7 ARG QH1 2.600 . 3.500 1.757 1.669 2.050 0.031 16 0 "[ . 1 . 2]" 1 154 1 7 ARG QD 1 8 LYS H 5.300 . 6.000 3.862 3.176 5.205 . 0 0 "[ . 1 . 2]" 1 155 1 7 ARG QD 1 11 CYS H 5.300 . 6.000 4.875 4.042 5.777 . 0 0 "[ . 1 . 2]" 1 156 1 7 ARG QD 1 11 CYS HA 2.500 . 3.300 2.656 1.921 3.306 0.006 18 0 "[ . 1 . 2]" 1 157 1 7 ARG QD 1 12 LYS H 3.300 . 4.600 3.565 2.842 4.180 . 0 0 "[ . 1 . 2]" 1 158 1 7 ARG QD 1 12 LYS QG 3.400 . 4.900 4.167 3.402 4.888 . 0 0 "[ . 1 . 2]" 1 159 1 7 ARG HE 1 7 ARG QG 3.100 . 4.300 2.467 2.269 2.859 . 0 0 "[ . 1 . 2]" 1 160 1 7 ARG HE 1 7 ARG HH12 2.800 . 3.800 2.239 2.236 2.246 . 0 0 "[ . 1 . 2]" 1 161 1 7 ARG HE 1 11 CYS HA 3.700 . 5.400 4.398 3.762 4.689 . 0 0 "[ . 1 . 2]" 1 162 1 7 ARG HE 1 11 CYS QB 4.800 . 6.000 4.343 3.832 5.071 . 0 0 "[ . 1 . 2]" 1 163 1 7 ARG HE 1 12 LYS H 3.100 . 4.300 4.168 3.813 4.328 0.028 15 0 "[ . 1 . 2]" 1 164 1 7 ARG HE 1 12 LYS QB 5.600 . 6.000 5.382 4.429 6.008 0.008 7 0 "[ . 1 . 2]" 1 165 1 7 ARG HE 1 12 LYS QD 4.600 . 6.000 4.861 3.571 5.855 . 0 0 "[ . 1 . 2]" 1 166 1 7 ARG HE 1 12 LYS QG 3.000 . 4.100 3.836 3.329 4.109 0.009 3 0 "[ . 1 . 2]" 1 167 1 7 ARG QG 1 7 ARG QH1 3.900 . 5.800 3.163 1.988 3.671 0.012 11 0 "[ . 1 . 2]" 1 168 1 7 ARG QG 1 11 CYS HA 4.300 . 6.000 3.900 2.662 4.675 . 0 0 "[ . 1 . 2]" 1 169 1 7 ARG QG 1 28 CYS H 4.400 . 6.000 4.207 3.426 5.454 . 0 0 "[ . 1 . 2]" 1 170 1 7 ARG QH1 1 11 CYS HA 5.500 . 6.000 4.192 2.011 5.617 . 0 0 "[ . 1 . 2]" 1 171 1 7 ARG HH11 1 12 LYS QG 3.500 . 5.100 3.623 2.712 4.477 . 0 0 "[ . 1 . 2]" 1 172 1 8 LYS H 1 8 LYS HA 2.900 . 4.000 2.939 2.907 2.950 . 0 0 "[ . 1 . 2]" 1 173 1 8 LYS H 1 8 LYS QB 2.500 . 3.300 2.487 2.237 2.675 . 0 0 "[ . 1 . 2]" 1 174 1 8 LYS H 1 8 LYS QD 3.700 . 5.400 4.720 4.413 5.178 . 0 0 "[ . 1 . 2]" 1 175 1 8 LYS H 1 8 LYS QG 4.400 . 6.000 4.055 3.886 4.151 . 0 0 "[ . 1 . 2]" 1 176 1 8 LYS H 1 9 GLY H 4.400 . 6.000 4.273 3.818 4.534 . 0 0 "[ . 1 . 2]" 1 177 1 8 LYS H 1 25 PHE QD 4.200 . 6.000 4.128 3.499 4.438 . 0 0 "[ . 1 . 2]" 1 178 1 8 LYS H 1 25 PHE QE 5.800 . 6.000 5.027 4.093 5.615 . 0 0 "[ . 1 . 2]" 1 179 1 8 LYS HA 1 8 LYS QB 2.500 . 3.300 2.360 2.321 2.517 . 0 0 "[ . 1 . 2]" 1 180 1 8 LYS HA 1 8 LYS QD 3.900 . 5.800 3.973 2.073 4.276 . 0 0 "[ . 1 . 2]" 1 181 1 8 LYS HA 1 8 LYS QG 2.700 . 3.600 2.500 2.246 3.092 . 0 0 "[ . 1 . 2]" 1 182 1 8 LYS HA 1 9 GLY H 2.100 . 2.600 2.198 2.138 2.729 0.129 14 0 "[ . 1 . 2]" 1 183 1 8 LYS HA 1 9 GLY HA3 5.100 . 6.000 4.429 4.368 4.811 . 0 0 "[ . 1 . 2]" 1 184 1 8 LYS HA 1 25 PHE QD 3.000 . 4.100 2.195 1.911 3.432 . 0 0 "[ . 1 . 2]" 1 185 1 8 LYS HA 1 25 PHE HA 2.600 . 3.500 2.418 1.865 3.005 . 0 0 "[ . 1 . 2]" 1 186 1 8 LYS HA 1 25 PHE QE 3.500 . 5.000 4.500 3.732 5.001 0.001 7 0 "[ . 1 . 2]" 1 187 1 8 LYS HA 1 26 LEU H 3.600 . 5.200 3.382 2.479 3.819 . 0 0 "[ . 1 . 2]" 1 188 1 8 LYS QB 1 8 LYS QD 2.200 . 2.800 2.197 2.116 2.401 . 0 0 "[ . 1 . 2]" 1 189 1 8 LYS QB 1 8 LYS QG 2.100 . 2.700 2.082 1.987 2.091 . 0 0 "[ . 1 . 2]" 1 190 1 8 LYS QB 1 9 GLY H 4.700 . 6.000 3.704 2.212 4.007 . 0 0 "[ . 1 . 2]" 1 191 1 8 LYS QB 1 25 PHE QD 3.500 . 5.000 2.585 2.042 3.738 . 0 0 "[ . 1 . 2]" 1 192 1 8 LYS QD 1 9 GLY H 5.300 . 6.000 4.657 2.025 5.429 . 0 0 "[ . 1 . 2]" 1 193 1 8 LYS QD 1 25 PHE QD 4.700 . 6.000 4.188 3.466 5.208 . 0 0 "[ . 1 . 2]" 1 194 1 8 LYS QD 1 25 PHE QE 3.300 . 4.600 3.257 2.242 4.606 0.006 3 0 "[ . 1 . 2]" 1 195 1 8 LYS QE 1 8 LYS QG 3.200 . 4.400 2.361 2.134 2.784 . 0 0 "[ . 1 . 2]" 1 196 1 8 LYS QE 1 24 ARG QG 3.000 . 4.100 3.297 1.890 4.110 0.010 12 0 "[ . 1 . 2]" 1 197 1 8 LYS QG 1 24 ARG HG3 2.200 . 2.800 2.642 2.153 2.830 0.030 3 0 "[ . 1 . 2]" 1 198 1 8 LYS QG 1 9 GLY H 3.100 . 4.300 2.852 1.851 3.520 0.049 14 0 "[ . 1 . 2]" 1 199 1 8 LYS QG 1 9 GLY HA2 4.100 . 6.000 3.850 3.409 4.287 . 0 0 "[ . 1 . 2]" 1 200 1 8 LYS QG 1 9 GLY HA3 4.200 . 6.000 3.547 3.236 3.902 . 0 0 "[ . 1 . 2]" 1 201 1 8 LYS QG 1 10 HIS H 5.400 . 6.000 4.960 4.281 5.453 . 0 0 "[ . 1 . 2]" 1 202 1 8 LYS HG2 1 9 GLY HA3 3.700 . 5.400 3.720 3.290 5.541 0.141 3 0 "[ . 1 . 2]" 1 203 1 8 LYS HG3 1 25 PHE QD 3.600 . 5.300 3.797 2.933 5.433 0.133 3 0 "[ . 1 . 2]" 1 204 1 8 LYS HG3 1 25 PHE QE 3.300 . 4.700 3.912 2.450 5.233 0.533 3 1 "[ + . 1 . 2]" 1 205 1 9 GLY H 1 9 GLY HA2 2.600 . 3.500 2.375 2.298 2.692 . 0 0 "[ . 1 . 2]" 1 206 1 9 GLY H 1 9 GLY HA3 2.700 . 3.600 2.881 2.312 2.954 . 0 0 "[ . 1 . 2]" 1 207 1 9 GLY H 1 10 HIS H 4.300 . 6.000 3.932 3.009 4.311 . 0 0 "[ . 1 . 2]" 1 208 1 9 GLY H 1 25 PHE HA 3.700 . 5.400 3.334 2.754 4.637 . 0 0 "[ . 1 . 2]" 1 209 1 9 GLY H 1 25 PHE QD 6.000 . 6.000 5.043 4.363 5.960 . 0 0 "[ . 1 . 2]" 1 210 1 9 GLY H 1 26 LEU H 4.800 . 6.000 4.324 3.571 4.984 . 0 0 "[ . 1 . 2]" 1 211 1 9 GLY H 1 26 LEU QB 4.700 . 6.000 4.571 3.827 5.817 . 0 0 "[ . 1 . 2]" 1 212 1 9 GLY H 1 26 LEU MD1 4.300 . 6.000 3.834 2.074 4.731 . 0 0 "[ . 1 . 2]" 1 213 1 9 GLY HA2 1 10 HIS H 3.600 . 5.200 3.496 3.346 3.569 . 0 0 "[ . 1 . 2]" 1 214 1 9 GLY HA2 1 10 HIS HD1 5.200 . 6.000 5.174 3.222 6.988 0.988 11 2 "[ . 1+ . - 2]" 1 215 1 9 GLY HA3 1 10 HIS H 2.800 . 3.800 2.285 2.084 2.753 . 0 0 "[ . 1 . 2]" 1 216 1 9 GLY HA3 1 26 LEU MD1 2.700 . 6.000 4.379 3.307 5.149 . 0 0 "[ . 1 . 2]" 1 217 1 10 HIS H 1 10 HIS HA 3.000 . 4.100 2.906 2.840 2.948 . 0 0 "[ . 1 . 2]" 1 218 1 10 HIS H 1 10 HIS HB2 3.700 . 5.400 3.369 2.186 4.024 . 0 0 "[ . 1 . 2]" 1 219 1 10 HIS H 1 10 HIS HD1 4.900 . 6.000 3.698 2.072 5.290 . 0 0 "[ . 1 . 2]" 1 220 1 10 HIS H 1 11 CYS H 5.000 . 6.000 4.311 3.930 4.572 . 0 0 "[ . 1 . 2]" 1 221 1 10 HIS H 1 26 LEU MD1 4.300 . 6.000 4.488 3.820 5.216 . 0 0 "[ . 1 . 2]" 1 222 1 10 HIS HA 1 10 HIS HB2 2.700 . 3.600 2.585 2.418 2.936 . 0 0 "[ . 1 . 2]" 1 223 1 10 HIS HA 1 10 HIS HB3 2.700 . 3.600 2.675 2.338 3.015 . 0 0 "[ . 1 . 2]" 1 224 1 10 HIS HA 1 10 HIS HE1 4.100 . 6.000 5.489 4.706 6.156 0.156 18 0 "[ . 1 . 2]" 1 225 1 10 HIS HA 1 11 CYS H 2.200 . 2.800 2.269 2.142 2.520 . 0 0 "[ . 1 . 2]" 1 226 1 10 HIS HA 1 11 CYS QB 5.400 . 6.000 4.142 3.944 4.609 . 0 0 "[ . 1 . 2]" 1 227 1 10 HIS HA 1 15 GLU HB2 4.600 . 6.000 5.646 5.009 6.583 0.583 5 1 "[ + 1 . 2]" 1 228 1 10 HIS HA 1 26 LEU MD1 2.700 . 6.000 3.148 1.884 4.309 . 0 0 "[ . 1 . 2]" 1 229 1 10 HIS HA 1 26 LEU MD2 3.500 . 5.100 3.518 2.721 4.405 . 0 0 "[ . 1 . 2]" 1 230 1 10 HIS HB2 1 11 CYS H 3.200 . 4.500 3.527 2.177 4.461 . 0 0 "[ . 1 . 2]" 1 231 1 10 HIS HB2 1 26 LEU MD1 5.500 . 6.000 5.147 3.665 6.219 0.219 5 0 "[ . 1 . 2]" 1 232 1 10 HIS HB3 1 11 CYS H 3.800 . 5.600 3.750 2.355 4.299 . 0 0 "[ . 1 . 2]" 1 233 1 10 HIS HB3 1 26 LEU MD1 4.700 . 6.000 5.202 3.811 6.520 0.520 7 1 "[ . + 1 . 2]" 1 234 1 10 HIS HD1 1 12 LYS HA 4.900 . 6.000 4.857 3.858 6.018 0.018 7 0 "[ . 1 . 2]" 1 235 1 11 CYS H 1 11 CYS QB 3.100 . 3.400 2.426 2.262 2.707 . 0 0 "[ . 1 . 2]" 1 236 1 11 CYS H 1 12 LYS H 4.300 . 6.000 4.511 4.337 4.608 . 0 0 "[ . 1 . 2]" 1 237 1 11 CYS H 1 15 GLU QG 4.500 . 6.000 2.191 1.595 3.769 0.405 4 0 "[ . 1 . 2]" 1 238 1 11 CYS H 1 26 LEU QD 3.500 . 5.000 3.426 2.439 4.452 . 0 0 "[ . 1 . 2]" 1 239 1 11 CYS HA 1 11 CYS QB 2.600 . 3.400 2.376 2.294 2.446 . 0 0 "[ . 1 . 2]" 1 240 1 11 CYS HA 1 12 LYS H 2.300 . 3.000 2.498 2.237 2.726 . 0 0 "[ . 1 . 2]" 1 241 1 11 CYS HA 1 12 LYS QG 5.000 . 6.000 4.035 3.516 4.389 . 0 0 "[ . 1 . 2]" 1 242 1 11 CYS HA 1 15 GLU QG 4.500 . 6.000 3.976 3.681 4.610 . 0 0 "[ . 1 . 2]" 1 243 1 11 CYS HA 1 26 LEU MD1 4.500 . 6.000 5.150 4.118 6.937 0.937 7 1 "[ . + 1 . 2]" 1 244 1 11 CYS QB 1 12 LYS H 2.900 . 3.900 2.858 1.886 3.348 0.014 16 0 "[ . 1 . 2]" 1 245 1 11 CYS QB 1 12 LYS QG 5.500 . 6.000 4.031 3.098 4.808 . 0 0 "[ . 1 . 2]" 1 246 1 11 CYS QB 1 15 GLU H 4.400 . 6.000 3.790 2.763 4.728 . 0 0 "[ . 1 . 2]" 1 247 1 11 CYS QB 1 15 GLU HB2 4.100 . 6.000 4.266 3.870 4.549 . 0 0 "[ . 1 . 2]" 1 248 1 11 CYS QB 1 15 GLU HB3 4.700 . 6.000 3.794 2.782 4.250 . 0 0 "[ . 1 . 2]" 1 249 1 11 CYS QB 1 15 GLU QG 2.600 . 2.800 1.768 1.632 1.887 0.068 14 0 "[ . 1 . 2]" 1 250 1 11 CYS QB 1 15 GLU QG 2.700 . 3.600 1.766 1.631 1.884 0.169 14 0 "[ . 1 . 2]" 1 251 1 11 CYS QB 1 28 CYS HB2 3.400 . 4.800 2.473 1.960 3.676 0.040 11 0 "[ . 1 . 2]" 1 252 1 11 CYS QB 1 28 CYS HB3 3.000 . 4.100 3.094 2.054 3.620 . 0 0 "[ . 1 . 2]" 1 253 1 12 LYS H 1 12 LYS HA 2.900 . 4.000 2.886 2.820 2.949 . 0 0 "[ . 1 . 2]" 1 254 1 12 LYS H 1 12 LYS QB 3.300 . 4.700 2.724 2.531 2.983 . 0 0 "[ . 1 . 2]" 1 255 1 12 LYS H 1 12 LYS QD 4.400 . 6.000 3.859 3.005 4.249 . 0 0 "[ . 1 . 2]" 1 256 1 12 LYS H 1 12 LYS QG 2.100 . 2.600 1.948 1.622 2.214 . 0 0 "[ . 1 . 2]" 1 257 1 12 LYS H 1 15 GLU QG 3.400 . 4.800 4.465 4.199 4.653 . 0 0 "[ . 1 . 2]" 1 258 1 12 LYS H 1 28 CYS HB2 5.000 . 6.000 5.111 4.425 5.995 . 0 0 "[ . 1 . 2]" 1 259 1 12 LYS HA 1 12 LYS QG 3.000 . 4.100 3.319 3.093 3.348 . 0 0 "[ . 1 . 2]" 1 260 1 12 LYS HA 1 13 ARG HB2 3.200 . 6.000 5.833 4.823 6.092 0.092 9 0 "[ . 1 . 2]" 1 261 1 12 LYS HA 1 13 ARG HB3 3.200 . 6.000 5.154 4.549 6.191 0.191 19 0 "[ . 1 . 2]" 1 262 1 12 LYS QB 1 12 LYS QE 4.600 . 6.000 3.060 1.989 3.824 0.011 12 0 "[ . 1 . 2]" 1 263 1 12 LYS QB 1 12 LYS QG 1.800 . 2.200 2.083 2.004 2.089 . 0 0 "[ . 1 . 2]" 1 264 1 12 LYS QD 1 12 LYS QG 2.000 . 2.500 2.063 2.014 2.093 . 0 0 "[ . 1 . 2]" 1 265 1 12 LYS QE 1 12 LYS QG 3.200 . 4.500 2.325 2.135 2.719 . 0 0 "[ . 1 . 2]" 1 266 1 12 LYS QG 1 13 ARG H 3.100 . 4.300 2.481 1.858 3.754 0.042 8 0 "[ . 1 . 2]" 1 267 1 12 LYS QG 1 15 GLU QG 3.000 . 6.000 5.445 5.069 5.726 . 0 0 "[ . 1 . 2]" 1 268 1 12 LYS HG3 1 13 ARG QD 2.600 . 3.400 3.262 1.707 3.484 0.093 17 0 "[ . 1 . 2]" 1 269 1 13 ARG H 1 13 ARG HA 2.600 . 3.400 2.850 2.797 2.940 . 0 0 "[ . 1 . 2]" 1 270 1 13 ARG H 1 13 ARG HB3 2.800 . 3.800 3.587 3.227 3.935 0.135 19 0 "[ . 1 . 2]" 1 271 1 13 ARG H 1 13 ARG QD 4.600 . 6.000 4.154 1.996 4.732 0.004 18 0 "[ . 1 . 2]" 1 272 1 13 ARG H 1 14 GLY H 4.000 . 6.000 3.773 2.522 4.317 . 0 0 "[ . 1 . 2]" 1 273 1 13 ARG HA 1 13 ARG HB2 2.600 . 3.400 2.612 2.391 3.017 . 0 0 "[ . 1 . 2]" 1 274 1 13 ARG HA 1 13 ARG HB3 2.500 . 3.300 2.487 2.295 2.965 . 0 0 "[ . 1 . 2]" 1 275 1 13 ARG HA 1 13 ARG QD 4.900 . 6.000 4.070 2.002 4.577 . 0 0 "[ . 1 . 2]" 1 276 1 13 ARG HA 1 14 GLY H 2.200 . 2.800 2.237 2.141 2.722 . 0 0 "[ . 1 . 2]" 1 277 1 13 ARG HA 1 15 GLU H 3.800 . 5.600 4.276 3.497 5.594 . 0 0 "[ . 1 . 2]" 1 278 1 13 ARG HB2 1 13 ARG QD 2.800 . 3.800 2.665 2.166 3.256 . 0 0 "[ . 1 . 2]" 1 279 1 13 ARG HB2 1 13 ARG HE 3.600 . 5.200 2.129 1.808 2.952 0.192 17 0 "[ . 1 . 2]" 1 280 1 13 ARG HB2 1 13 ARG HG2 2.200 . 2.800 2.010 1.921 2.067 . 0 0 "[ . 1 . 2]" 1 281 1 13 ARG HB2 1 14 GLY H 4.300 . 6.000 3.782 2.938 4.565 . 0 0 "[ . 1 . 2]" 1 282 1 13 ARG HB3 1 14 GLY H 4.000 . 6.000 4.112 2.940 4.645 . 0 0 "[ . 1 . 2]" 1 283 1 13 ARG HE 1 13 ARG QG 2.800 . 3.700 1.905 1.829 2.007 0.071 14 0 "[ . 1 . 2]" 1 284 1 14 GLY H 1 14 GLY HA2 2.600 . 3.500 2.403 2.292 2.798 . 0 0 "[ . 1 . 2]" 1 285 1 14 GLY H 1 14 GLY HA3 3.000 . 4.100 2.903 2.778 2.954 . 0 0 "[ . 1 . 2]" 1 286 1 14 GLY H 1 15 GLU H 2.700 . 3.600 2.490 1.893 3.332 . 0 0 "[ . 1 . 2]" 1 287 1 14 GLY HA2 1 15 GLU H 3.300 . 4.600 2.691 2.323 3.051 . 0 0 "[ . 1 . 2]" 1 288 1 14 GLY HA3 1 15 GLU H 3.700 . 5.400 3.110 2.938 3.262 . 0 0 "[ . 1 . 2]" 1 289 1 15 GLU H 1 15 GLU HA 2.900 . 4.000 2.859 2.791 2.935 . 0 0 "[ . 1 . 2]" 1 290 1 15 GLU H 1 15 GLU HB2 2.900 . 4.000 2.547 2.346 2.900 . 0 0 "[ . 1 . 2]" 1 291 1 15 GLU H 1 15 GLU HB3 3.800 . 5.600 3.610 3.562 3.695 . 0 0 "[ . 1 . 2]" 1 292 1 15 GLU H 1 15 GLU QG 2.500 . 3.300 2.631 2.108 3.125 . 0 0 "[ . 1 . 2]" 1 293 1 15 GLU H 1 16 ARG H 5.300 . 6.000 4.451 4.145 4.630 . 0 0 "[ . 1 . 2]" 1 294 1 15 GLU H 1 16 ARG QD 4.900 . 6.000 5.653 5.126 6.026 0.026 14 0 "[ . 1 . 2]" 1 295 1 15 GLU HA 1 15 GLU QG 3.000 . 4.200 2.486 2.378 2.769 . 0 0 "[ . 1 . 2]" 1 296 1 15 GLU HA 1 16 ARG H 2.100 . 2.700 2.128 2.088 2.256 . 0 0 "[ . 1 . 2]" 1 297 1 15 GLU HB2 1 15 GLU QG 2.200 . 4.300 2.402 2.264 2.456 . 0 0 "[ . 1 . 2]" 1 298 1 15 GLU HB2 1 16 ARG H 2.600 . 3.500 3.107 2.694 3.529 0.029 10 0 "[ . 1 . 2]" 1 299 1 15 GLU HB3 1 15 GLU QG . . 2.300 2.222 2.145 2.404 0.104 5 0 "[ . 1 . 2]" 1 300 1 15 GLU HB3 1 16 ARG H 4.100 . 6.000 3.428 2.613 3.958 . 0 0 "[ . 1 . 2]" 1 301 1 15 GLU QG 1 16 ARG H 3.200 . 6.000 4.272 4.008 4.536 . 0 0 "[ . 1 . 2]" 1 302 1 16 ARG H 1 16 ARG HE 5.800 . 6.000 5.341 4.069 5.933 . 0 0 "[ . 1 . 2]" 1 303 1 16 ARG H 1 17 VAL H 4.700 . 6.000 4.408 4.316 4.520 . 0 0 "[ . 1 . 2]" 1 304 1 16 ARG H 1 17 VAL HA 3.800 . 5.600 4.779 4.669 5.037 . 0 0 "[ . 1 . 2]" 1 305 1 16 ARG H 1 18 ARG H 4.100 . 6.000 5.216 4.967 5.449 . 0 0 "[ . 1 . 2]" 1 306 1 16 ARG H 1 27 TYR H 3.500 . 5.000 4.031 3.779 4.413 . 0 0 "[ . 1 . 2]" 1 307 1 16 ARG H 1 28 CYS HA 2.100 . 2.700 2.129 2.013 2.272 . 0 0 "[ . 1 . 2]" 1 308 1 16 ARG HA 1 16 ARG QB 2.400 . 3.100 2.385 2.339 2.453 . 0 0 "[ . 1 . 2]" 1 309 1 16 ARG HA 1 16 ARG QD 4.100 . 6.000 3.567 2.024 4.262 . 0 0 "[ . 1 . 2]" 1 310 1 16 ARG HA 1 16 ARG QG 2.900 . 4.000 2.533 2.389 2.817 . 0 0 "[ . 1 . 2]" 1 311 1 16 ARG HA 1 17 VAL H 2.200 . 2.800 2.418 2.266 2.669 . 0 0 "[ . 1 . 2]" 1 312 1 16 ARG HA 1 17 VAL QG 3.900 . 5.800 3.262 3.022 3.785 . 0 0 "[ . 1 . 2]" 1 313 1 16 ARG HB2 1 16 ARG HD2 2.600 . 3.500 2.093 1.901 2.506 . 0 0 "[ . 1 . 2]" 1 314 1 16 ARG QB 1 16 ARG HE 3.500 . 5.100 2.304 1.801 3.602 0.099 15 0 "[ . 1 . 2]" 1 315 1 16 ARG QB 1 17 VAL H 2.700 . 3.600 2.489 1.831 3.422 . 0 0 "[ . 1 . 2]" 1 316 1 16 ARG QD 1 17 VAL H 5.000 . 6.000 4.240 2.797 5.221 . 0 0 "[ . 1 . 2]" 1 317 1 17 VAL H 1 17 VAL HA 3.000 . 4.200 2.936 2.927 2.943 . 0 0 "[ . 1 . 2]" 1 318 1 17 VAL H 1 17 VAL HB 2.400 . 3.100 2.975 2.875 3.150 0.050 7 0 "[ . 1 . 2]" 1 319 1 17 VAL H 1 17 VAL QG 3.200 . 4.500 2.456 2.199 2.648 . 0 0 "[ . 1 . 2]" 1 320 1 17 VAL H 1 18 ARG H 3.800 . 5.700 2.726 2.496 2.882 . 0 0 "[ . 1 . 2]" 1 321 1 17 VAL HA 1 17 VAL QG 2.700 . 3.600 2.163 2.122 2.264 . 0 0 "[ . 1 . 2]" 1 322 1 17 VAL HA 1 18 ARG H 2.100 . 2.700 2.725 2.643 2.791 0.091 8 0 "[ . 1 . 2]" 1 323 1 17 VAL HA 1 19 GLY H 3.600 . 5.200 3.500 3.073 4.164 . 0 0 "[ . 1 . 2]" 1 324 1 17 VAL HA 1 20 THR HA 3.300 . 4.700 4.250 3.810 4.733 0.033 15 0 "[ . 1 . 2]" 1 325 1 17 VAL HA 1 26 LEU HA 4.300 . 6.000 4.228 3.920 4.539 . 0 0 "[ . 1 . 2]" 1 326 1 17 VAL HA 1 26 LEU QB 3.700 . 5.400 3.713 3.351 4.226 . 0 0 "[ . 1 . 2]" 1 327 1 17 VAL HA 1 26 LEU HB3 4.000 . 6.000 4.799 3.506 5.501 . 0 0 "[ . 1 . 2]" 1 328 1 17 VAL HA 1 26 LEU HG 5.100 . 6.000 5.668 4.364 6.022 0.022 9 0 "[ . 1 . 2]" 1 329 1 17 VAL HA 1 27 TYR H 4.000 . 6.000 2.983 2.451 3.274 . 0 0 "[ . 1 . 2]" 1 330 1 17 VAL HA 1 27 TYR HB3 4.200 . 6.000 4.023 3.689 4.204 . 0 0 "[ . 1 . 2]" 1 331 1 17 VAL QG 1 18 ARG H 3.800 . 5.600 3.674 3.483 3.753 . 0 0 "[ . 1 . 2]" 1 332 1 17 VAL QG 1 19 GLY H 2.800 . 6.000 4.107 3.467 4.660 . 0 0 "[ . 1 . 2]" 1 333 1 17 VAL QG 1 19 GLY HA2 5.300 . 6.000 4.871 4.259 5.203 . 0 0 "[ . 1 . 2]" 1 334 1 17 VAL QG 1 20 THR HA 4.600 . 6.000 3.586 2.974 4.279 . 0 0 "[ . 1 . 2]" 1 335 1 17 VAL QG 1 26 LEU HB2 2.300 . 6.000 3.511 2.224 5.503 . 0 0 "[ . 1 . 2]" 1 336 1 17 VAL QG 1 27 TYR H 4.100 . 6.000 3.572 2.968 4.117 . 0 0 "[ . 1 . 2]" 1 337 1 18 ARG H 1 18 ARG QB 2.900 . 3.900 2.294 2.207 2.577 . 0 0 "[ . 1 . 2]" 1 338 1 18 ARG H 1 18 ARG QD 5.300 . 6.000 4.441 3.538 4.756 . 0 0 "[ . 1 . 2]" 1 339 1 18 ARG H 1 18 ARG HG3 3.300 . 4.700 4.422 3.285 4.576 . 0 0 "[ . 1 . 2]" 1 340 1 18 ARG H 1 19 GLY H 2.400 . 3.100 2.422 2.160 2.709 . 0 0 "[ . 1 . 2]" 1 341 1 18 ARG H 1 19 GLY HA2 6.000 . 6.000 5.058 4.897 5.249 . 0 0 "[ . 1 . 2]" 1 342 1 18 ARG H 1 20 THR HA 4.100 . 6.000 5.787 5.469 6.076 0.076 19 0 "[ . 1 . 2]" 1 343 1 18 ARG H 1 27 TYR H 4.800 . 6.000 4.599 4.243 4.864 . 0 0 "[ . 1 . 2]" 1 344 1 18 ARG H 1 27 TYR HB3 4.000 . 6.000 3.453 3.102 3.742 . 0 0 "[ . 1 . 2]" 1 345 1 18 ARG H 1 27 TYR QD 3.300 . 4.700 4.642 4.512 4.729 0.029 16 0 "[ . 1 . 2]" 1 346 1 18 ARG HA 1 18 ARG QD 3.900 . 5.800 3.336 2.016 4.490 . 0 0 "[ . 1 . 2]" 1 347 1 18 ARG HA 1 19 GLY H 3.100 . 4.300 3.480 3.401 3.559 . 0 0 "[ . 1 . 2]" 1 348 1 18 ARG QB 1 18 ARG QD 3.800 . 5.600 2.347 2.115 2.802 . 0 0 "[ . 1 . 2]" 1 349 1 18 ARG QB 1 18 ARG HE 3.800 . 5.600 3.107 1.990 4.041 0.010 5 0 "[ . 1 . 2]" 1 350 1 18 ARG QB 1 18 ARG HG3 2.000 . 2.500 2.335 2.149 2.399 . 0 0 "[ . 1 . 2]" 1 351 1 18 ARG QB 1 19 GLY H 4.000 . 6.000 2.712 2.159 3.571 . 0 0 "[ . 1 . 2]" 1 352 1 18 ARG QB 1 27 TYR QE 3.000 . 6.000 5.451 4.926 5.847 . 0 0 "[ . 1 . 2]" 1 353 1 18 ARG QD 1 18 ARG HG3 2.300 . 3.000 2.278 2.172 2.374 . 0 0 "[ . 1 . 2]" 1 354 1 18 ARG HE 1 18 ARG HG2 3.900 . 5.800 2.686 2.450 3.640 . 0 0 "[ . 1 . 2]" 1 355 1 18 ARG HE 1 18 ARG HG3 3.300 . 4.700 3.010 2.465 3.690 . 0 0 "[ . 1 . 2]" 1 356 1 18 ARG HG3 1 19 GLY H 4.100 . 6.000 4.410 2.838 5.080 . 0 0 "[ . 1 . 2]" 1 357 1 18 ARG HG3 1 19 GLY HA2 2.500 . 6.000 5.079 4.148 6.106 0.106 19 0 "[ . 1 . 2]" 1 358 1 19 GLY H 1 19 GLY HA2 2.700 . 3.600 2.932 2.889 2.954 . 0 0 "[ . 1 . 2]" 1 359 1 19 GLY H 1 20 THR H 4.100 . 6.000 3.471 3.247 3.746 . 0 0 "[ . 1 . 2]" 1 360 1 19 GLY H 1 20 THR HA 4.500 . 6.000 4.361 4.216 4.635 . 0 0 "[ . 1 . 2]" 1 361 1 19 GLY H 1 27 TYR H 4.300 . 6.000 4.663 4.376 5.063 . 0 0 "[ . 1 . 2]" 1 362 1 19 GLY H 1 27 TYR HB2 3.900 . 5.800 2.900 2.688 3.122 . 0 0 "[ . 1 . 2]" 1 363 1 19 GLY H 1 27 TYR HB3 3.000 . 4.200 3.306 2.860 3.527 . 0 0 "[ . 1 . 2]" 1 364 1 19 GLY H 1 27 TYR QD 4.800 . 6.000 3.958 3.565 4.379 . 0 0 "[ . 1 . 2]" 1 365 1 19 GLY HA2 1 20 THR H 2.900 . 3.900 2.587 2.267 3.331 . 0 0 "[ . 1 . 2]" 1 366 1 19 GLY HA2 1 20 THR MG 4.700 . 6.000 3.675 3.423 4.084 . 0 0 "[ . 1 . 2]" 1 367 1 19 GLY HA2 1 27 TYR HB2 4.900 . 6.000 4.986 4.682 5.292 . 0 0 "[ . 1 . 2]" 1 368 1 19 GLY HA2 1 27 TYR HB3 4.500 . 6.000 5.906 5.466 6.027 0.027 10 0 "[ . 1 . 2]" 1 369 1 19 GLY HA2 1 27 TYR QD 4.800 . 6.000 5.507 5.218 5.961 . 0 0 "[ . 1 . 2]" 1 370 1 19 GLY HA3 1 20 THR H 2.400 . 3.100 3.177 2.140 3.550 0.450 13 0 "[ . 1 . 2]" 1 371 1 19 GLY HA3 1 27 TYR HB2 5.300 . 6.000 4.166 3.848 4.480 . 0 0 "[ . 1 . 2]" 1 372 1 19 GLY HA3 1 27 TYR HB3 4.400 . 6.000 4.881 4.413 5.255 . 0 0 "[ . 1 . 2]" 1 373 1 19 GLY HA3 1 27 TYR QD 3.000 . 6.000 4.325 4.003 4.760 . 0 0 "[ . 1 . 2]" 1 374 1 20 THR H 1 20 THR HA 3.000 . 4.200 2.735 2.700 2.786 . 0 0 "[ . 1 . 2]" 1 375 1 20 THR H 1 20 THR MG 3.100 . 4.300 2.195 1.935 2.736 . 0 0 "[ . 1 . 2]" 1 376 1 20 THR H 1 21 CYS H 5.800 . 6.000 4.499 4.292 4.626 . 0 0 "[ . 1 . 2]" 1 377 1 20 THR H 1 27 TYR HB2 5.500 . 6.000 4.283 3.455 4.609 . 0 0 "[ . 1 . 2]" 1 378 1 20 THR H 1 27 TYR HB3 4.100 . 6.000 5.669 4.792 6.010 0.010 6 0 "[ . 1 . 2]" 1 379 1 20 THR H 1 27 TYR QD 3.500 . 6.000 4.976 3.224 5.595 . 0 0 "[ . 1 . 2]" 1 380 1 20 THR HA 1 20 THR HB 2.700 . 3.600 2.418 2.372 2.494 . 0 0 "[ . 1 . 2]" 1 381 1 20 THR HA 1 20 THR MG 3.100 . 4.300 2.908 2.325 3.207 . 0 0 "[ . 1 . 2]" 1 382 1 20 THR HA 1 21 CYS H 2.100 . 2.600 2.222 2.127 2.484 . 0 0 "[ . 1 . 2]" 1 383 1 20 THR HA 1 22 GLY H 5.500 . 6.000 3.733 3.430 4.161 . 0 0 "[ . 1 . 2]" 1 384 1 20 THR HA 1 26 LEU HA 2.800 . 3.800 3.103 2.691 3.600 . 0 0 "[ . 1 . 2]" 1 385 1 20 THR HA 1 27 TYR H 2.800 . 6.000 3.927 3.701 4.101 . 0 0 "[ . 1 . 2]" 1 386 1 20 THR HA 1 27 TYR HB2 4.800 . 6.000 3.464 3.186 3.567 . 0 0 "[ . 1 . 2]" 1 387 1 20 THR HA 1 27 TYR HB2 4.800 . 6.000 3.435 3.169 3.534 . 0 0 "[ . 1 . 2]" 1 388 1 20 THR HA 1 27 TYR HB3 3.600 . 5.200 5.188 4.931 5.241 0.041 11 0 "[ . 1 . 2]" 1 389 1 20 THR HB 1 21 CYS H 3.000 . 4.200 3.628 2.659 4.135 . 0 0 "[ . 1 . 2]" 1 390 1 20 THR HB 1 22 GLY H 4.000 . 6.000 3.794 2.483 4.884 . 0 0 "[ . 1 . 2]" 1 391 1 20 THR HB 1 27 TYR H 3.200 . 6.000 5.901 5.424 6.079 0.079 16 0 "[ . 1 . 2]" 1 392 1 20 THR MG 1 21 CYS H 4.100 . 6.000 3.852 3.388 4.105 . 0 0 "[ . 1 . 2]" 1 393 1 20 THR MG 1 22 GLY H 3.100 . 6.000 3.895 3.003 4.337 . 0 0 "[ . 1 . 2]" 1 394 1 20 THR MG 1 26 LEU HA 3.800 . 6.000 4.934 3.327 6.019 0.019 10 0 "[ . 1 . 2]" 1 395 1 21 CYS H 1 21 CYS HB2 3.400 . 4.800 2.824 2.513 3.218 . 0 0 "[ . 1 . 2]" 1 396 1 21 CYS H 1 21 CYS HB3 3.100 . 4.300 2.555 2.364 2.784 . 0 0 "[ . 1 . 2]" 1 397 1 21 CYS H 1 22 GLY H 2.500 . 3.300 2.205 1.713 2.674 . 0 0 "[ . 1 . 2]" 1 398 1 21 CYS H 1 25 PHE H 4.300 . 6.000 5.047 4.021 5.500 . 0 0 "[ . 1 . 2]" 1 399 1 21 CYS H 1 25 PHE HB2 3.800 . 5.600 3.454 2.609 4.035 . 0 0 "[ . 1 . 2]" 1 400 1 21 CYS H 1 25 PHE HB3 4.700 . 6.000 3.956 3.371 4.500 . 0 0 "[ . 1 . 2]" 1 401 1 21 CYS H 1 25 PHE QD 6.000 . 6.000 5.253 4.611 5.672 . 0 0 "[ . 1 . 2]" 1 402 1 21 CYS H 1 26 LEU HA 3.200 . 4.500 3.244 2.756 4.348 . 0 0 "[ . 1 . 2]" 1 403 1 21 CYS H 1 27 TYR H 4.000 . 6.000 4.656 4.217 5.553 . 0 0 "[ . 1 . 2]" 1 404 1 21 CYS H 1 27 TYR HB2 6.000 . 6.000 4.408 3.857 5.129 . 0 0 "[ . 1 . 2]" 1 405 1 21 CYS HA 1 21 CYS HB2 2.400 . 3.100 2.467 2.379 2.551 . 0 0 "[ . 1 . 2]" 1 406 1 21 CYS HA 1 21 CYS HB3 3.000 . 4.100 3.023 3.015 3.028 . 0 0 "[ . 1 . 2]" 1 407 1 21 CYS HA 1 22 GLY H 3.000 . 4.100 3.359 3.098 3.517 . 0 0 "[ . 1 . 2]" 1 408 1 21 CYS HA 1 27 TYR HB2 6.000 . 6.000 5.765 5.424 6.042 0.042 16 0 "[ . 1 . 2]" 1 409 1 21 CYS HA 1 27 TYR QD 5.400 . 6.000 3.850 3.621 4.097 . 0 0 "[ . 1 . 2]" 1 410 1 21 CYS HB2 1 22 GLY H 4.600 . 6.000 4.216 4.050 4.449 . 0 0 "[ . 1 . 2]" 1 411 1 21 CYS HB2 1 25 PHE HB2 4.100 . 6.000 4.334 3.994 4.970 . 0 0 "[ . 1 . 2]" 1 412 1 21 CYS HB2 1 27 TYR H 5.600 . 6.000 5.310 5.036 5.609 . 0 0 "[ . 1 . 2]" 1 413 1 21 CYS HB2 1 27 TYR HB2 5.100 . 6.000 4.609 4.211 5.121 . 0 0 "[ . 1 . 2]" 1 414 1 21 CYS HB2 1 27 TYR QD 2.800 . 3.800 2.282 1.887 2.749 . 0 0 "[ . 1 . 2]" 1 415 1 21 CYS HB2 1 27 TYR QE 3.700 . 5.400 3.069 2.422 3.497 . 0 0 "[ . 1 . 2]" 1 416 1 21 CYS HB3 1 22 GLY H 3.300 . 4.700 3.281 2.776 3.876 . 0 0 "[ . 1 . 2]" 1 417 1 21 CYS HB3 1 25 PHE HB2 2.500 . 3.300 2.656 2.254 3.296 . 0 0 "[ . 1 . 2]" 1 418 1 21 CYS HB3 1 25 PHE HB3 2.600 . 3.400 2.331 1.840 3.145 . 0 0 "[ . 1 . 2]" 1 419 1 21 CYS HB3 1 25 PHE QD 4.900 . 6.000 3.972 3.204 4.570 . 0 0 "[ . 1 . 2]" 1 420 1 21 CYS HB3 1 27 TYR HB2 6.000 . 6.000 5.589 5.266 5.831 . 0 0 "[ . 1 . 2]" 1 421 1 21 CYS HB3 1 27 TYR QD 4.700 . 6.000 3.745 3.441 4.072 . 0 0 "[ . 1 . 2]" 1 422 1 22 GLY H 1 22 GLY HA2 2.700 . 3.600 2.815 2.708 2.889 . 0 0 "[ . 1 . 2]" 1 423 1 22 GLY H 1 22 GLY HA3 2.400 . 3.100 2.798 2.706 2.887 . 0 0 "[ . 1 . 2]" 1 424 1 22 GLY H 1 25 PHE H 3.900 . 5.800 3.088 2.916 3.366 . 0 0 "[ . 1 . 2]" 1 425 1 22 GLY H 1 25 PHE HB2 3.500 . 5.000 2.709 2.025 3.509 . 0 0 "[ . 1 . 2]" 1 426 1 22 GLY H 1 25 PHE HB3 5.500 . 6.000 4.083 3.449 4.903 . 0 0 "[ . 1 . 2]" 1 427 1 22 GLY H 1 25 PHE QD 6.000 . 6.000 4.103 3.475 5.078 . 0 0 "[ . 1 . 2]" 1 428 1 22 GLY HA2 1 23 ILE H 2.700 . 3.600 2.933 2.708 3.149 . 0 0 "[ . 1 . 2]" 1 429 1 22 GLY HA2 1 25 PHE H 3.200 . 4.500 3.144 2.813 3.326 . 0 0 "[ . 1 . 2]" 1 430 1 22 GLY HA2 1 25 PHE HB2 4.300 . 6.000 4.091 3.716 4.515 . 0 0 "[ . 1 . 2]" 1 431 1 22 GLY HA2 1 25 PHE HB3 6.000 . 6.000 5.687 5.329 5.959 . 0 0 "[ . 1 . 2]" 1 432 1 22 GLY HA2 1 25 PHE QD 5.000 . 6.000 3.942 3.609 5.376 . 0 0 "[ . 1 . 2]" 1 433 1 22 GLY HA3 1 23 ILE H 2.300 . 3.000 2.267 2.151 2.426 . 0 0 "[ . 1 . 2]" 1 434 1 22 GLY HA3 1 25 PHE HB2 3.300 . 4.700 2.736 2.380 3.041 . 0 0 "[ . 1 . 2]" 1 435 1 23 ILE H 1 23 ILE HA 2.800 . 3.800 2.878 2.802 2.926 . 0 0 "[ . 1 . 2]" 1 436 1 23 ILE H 1 23 ILE HB 2.300 . 3.000 2.564 2.437 2.657 . 0 0 "[ . 1 . 2]" 1 437 1 23 ILE H 1 23 ILE MD 3.500 . 5.000 3.301 1.986 3.710 0.014 14 0 "[ . 1 . 2]" 1 438 1 23 ILE H 1 23 ILE HG13 2.800 . 3.800 2.760 1.904 3.785 . 0 0 "[ . 1 . 2]" 1 439 1 23 ILE H 1 24 ARG H 2.600 . 3.500 2.671 2.239 3.093 . 0 0 "[ . 1 . 2]" 1 440 1 23 ILE H 1 25 PHE HB2 5.400 . 6.000 4.100 3.599 4.429 . 0 0 "[ . 1 . 2]" 1 441 1 23 ILE H 1 25 PHE QD 3.600 . 5.200 2.539 2.068 3.223 . 0 0 "[ . 1 . 2]" 1 442 1 23 ILE HA 1 23 ILE HB 2.900 . 3.900 3.021 3.018 3.023 . 0 0 "[ . 1 . 2]" 1 443 1 23 ILE HA 1 23 ILE MD 3.200 . 4.500 3.248 2.052 3.889 . 0 0 "[ . 1 . 2]" 1 444 1 23 ILE HA 1 23 ILE HG12 2.900 . 3.900 2.865 2.580 3.607 . 0 0 "[ . 1 . 2]" 1 445 1 23 ILE HA 1 23 ILE HG13 3.300 . 4.600 3.183 2.348 3.785 . 0 0 "[ . 1 . 2]" 1 446 1 23 ILE HA 1 23 ILE MG 3.200 . 4.500 2.367 2.316 2.455 . 0 0 "[ . 1 . 2]" 1 447 1 23 ILE HA 1 24 ARG H 2.200 . 2.800 2.802 2.786 2.813 0.013 7 0 "[ . 1 . 2]" 1 448 1 23 ILE HB 1 23 ILE MD 2.600 . 6.000 2.638 2.291 3.240 . 0 0 "[ . 1 . 2]" 1 449 1 23 ILE HB 1 23 ILE HG13 2.700 . 3.600 2.538 2.450 3.016 . 0 0 "[ . 1 . 2]" 1 450 1 23 ILE HB 1 24 ARG H 2.500 . 3.300 2.093 1.779 2.360 . 0 0 "[ . 1 . 2]" 1 451 1 23 ILE HB 1 25 PHE QE 3.000 . 6.000 4.476 3.642 5.352 . 0 0 "[ . 1 . 2]" 1 452 1 23 ILE MD 1 24 ARG H 2.600 . 6.000 4.224 3.691 4.562 . 0 0 "[ . 1 . 2]" 1 453 1 23 ILE MD 1 25 PHE H 3.900 . 6.000 5.573 4.631 6.008 0.008 15 0 "[ . 1 . 2]" 1 454 1 23 ILE HG13 1 23 ILE MG 2.700 . 6.000 2.885 2.340 3.206 . 0 0 "[ . 1 . 2]" 1 455 1 23 ILE HG13 1 24 ARG H 5.000 . 6.000 4.250 3.890 4.782 . 0 0 "[ . 1 . 2]" 1 456 1 23 ILE MG 1 24 ARG H 5.100 . 6.000 3.104 2.494 3.578 . 0 0 "[ . 1 . 2]" 1 457 1 23 ILE MG 1 24 ARG QD 3.300 . 6.000 4.337 2.944 5.288 . 0 0 "[ . 1 . 2]" 1 458 1 24 ARG H 1 24 ARG QG 2.400 . 3.100 2.154 1.885 2.842 . 0 0 "[ . 1 . 2]" 1 459 1 24 ARG H 1 25 PHE H 2.200 . 2.800 2.337 2.075 2.800 . 0 0 "[ . 1 . 2]" 1 460 1 24 ARG H 1 25 PHE HB2 5.600 . 6.000 4.437 4.247 4.620 . 0 0 "[ . 1 . 2]" 1 461 1 24 ARG H 1 25 PHE QD 3.900 . 5.800 2.778 2.468 3.174 . 0 0 "[ . 1 . 2]" 1 462 1 24 ARG HA 1 24 ARG QB 2.500 . 3.300 2.181 2.176 2.183 . 0 0 "[ . 1 . 2]" 1 463 1 24 ARG HA 1 24 ARG QG 3.400 . 4.700 3.368 3.336 3.448 . 0 0 "[ . 1 . 2]" 1 464 1 24 ARG QB 1 25 PHE QD 2.800 . 6.000 4.706 4.438 5.024 . 0 0 "[ . 1 . 2]" 1 465 1 24 ARG QG 1 25 PHE QE 3.200 . 4.500 3.302 2.625 3.809 . 0 0 "[ . 1 . 2]" 1 466 1 25 PHE H 1 25 PHE HA 2.900 . 3.900 2.902 2.815 2.948 . 0 0 "[ . 1 . 2]" 1 467 1 25 PHE H 1 25 PHE HB2 2.300 . 3.000 2.478 2.291 2.623 . 0 0 "[ . 1 . 2]" 1 468 1 25 PHE H 1 25 PHE HB3 4.000 . 6.000 3.641 3.556 3.752 . 0 0 "[ . 1 . 2]" 1 469 1 25 PHE H 1 25 PHE QD 3.000 . 4.200 2.280 1.909 2.680 . 0 0 "[ . 1 . 2]" 1 470 1 25 PHE H 1 26 LEU H 5.500 . 6.000 4.542 4.415 4.629 . 0 0 "[ . 1 . 2]" 1 471 1 25 PHE HA 1 25 PHE HB3 2.400 . 3.100 2.481 2.440 2.585 . 0 0 "[ . 1 . 2]" 1 472 1 25 PHE HA 1 25 PHE QD 3.000 . 4.100 3.013 2.861 3.125 . 0 0 "[ . 1 . 2]" 1 473 1 25 PHE HA 1 25 PHE QE 3.400 . 4.800 4.679 4.584 4.737 . 0 0 "[ . 1 . 2]" 1 474 1 25 PHE HA 1 26 LEU H 2.100 . 2.700 2.433 2.251 2.635 . 0 0 "[ . 1 . 2]" 1 475 1 25 PHE HA 1 26 LEU QB 3.500 . 5.100 4.221 4.063 4.499 . 0 0 "[ . 1 . 2]" 1 476 1 25 PHE HA 1 26 LEU MD2 3.700 . 5.400 3.375 2.505 5.366 . 0 0 "[ . 1 . 2]" 1 477 1 25 PHE HA 1 26 LEU HG 4.600 . 6.000 4.967 4.306 5.596 . 0 0 "[ . 1 . 2]" 1 478 1 25 PHE HB2 1 25 PHE QD 2.600 . 3.500 2.427 2.353 2.525 . 0 0 "[ . 1 . 2]" 1 479 1 25 PHE HB2 1 25 PHE QE 4.600 . 6.000 4.414 4.395 4.441 . 0 0 "[ . 1 . 2]" 1 480 1 25 PHE HB2 1 26 LEU H 3.800 . 5.600 3.554 3.104 3.977 . 0 0 "[ . 1 . 2]" 1 481 1 25 PHE HB3 1 25 PHE QD 2.500 . 3.300 2.351 2.288 2.418 . 0 0 "[ . 1 . 2]" 1 482 1 25 PHE HB3 1 26 LEU H 2.200 . 2.800 2.394 1.984 2.816 0.016 14 0 "[ . 1 . 2]" 1 483 1 25 PHE QD 1 26 LEU H 4.600 . 6.000 3.759 3.492 3.978 . 0 0 "[ . 1 . 2]" 1 484 1 26 LEU H 1 26 LEU HA 3.000 . 4.100 2.912 2.853 2.947 . 0 0 "[ . 1 . 2]" 1 485 1 26 LEU H 1 26 LEU QB 2.600 . 3.400 3.011 2.409 3.269 . 0 0 "[ . 1 . 2]" 1 486 1 26 LEU H 1 26 LEU MD1 4.500 . 6.000 3.768 2.019 4.411 . 0 0 "[ . 1 . 2]" 1 487 1 26 LEU H 1 26 LEU MD2 3.300 . 4.700 2.534 1.871 4.391 0.029 3 0 "[ . 1 . 2]" 1 488 1 26 LEU H 1 26 LEU HG 3.000 . 4.200 3.308 2.673 4.080 . 0 0 "[ . 1 . 2]" 1 489 1 26 LEU H 1 27 TYR H 5.100 . 6.000 4.410 4.366 4.512 . 0 0 "[ . 1 . 2]" 1 490 1 26 LEU HA 1 26 LEU QB 2.300 . 2.900 2.214 2.160 2.429 . 0 0 "[ . 1 . 2]" 1 491 1 26 LEU HA 1 26 LEU MD2 3.700 . 5.400 3.582 3.511 3.738 . 0 0 "[ . 1 . 2]" 1 492 1 26 LEU HA 1 26 LEU HG 3.100 . 4.300 3.414 2.445 3.737 . 0 0 "[ . 1 . 2]" 1 493 1 26 LEU HA 1 27 TYR H 2.200 . 2.800 2.532 2.387 2.669 . 0 0 "[ . 1 . 2]" 1 494 1 26 LEU HA 1 27 TYR HB2 5.300 . 6.000 4.059 4.006 4.110 . 0 0 "[ . 1 . 2]" 1 495 1 26 LEU HA 1 27 TYR HB3 4.400 . 6.000 5.350 5.270 5.411 . 0 0 "[ . 1 . 2]" 1 496 1 26 LEU HA 1 27 TYR QD 3.300 . 4.600 4.655 4.607 4.682 0.082 18 0 "[ . 1 . 2]" 1 497 1 26 LEU QB 1 26 LEU MD1 2.500 . 3.300 2.111 2.072 2.253 . 0 0 "[ . 1 . 2]" 1 498 1 26 LEU QB 1 26 LEU QD 2.300 . 3.000 1.906 1.886 1.925 . 0 0 "[ . 1 . 2]" 1 499 1 26 LEU QB 1 26 LEU HG 1.900 . 2.400 2.427 2.391 2.462 0.062 3 0 "[ . 1 . 2]" 1 500 1 26 LEU QB 1 27 TYR H 3.100 . 4.300 2.182 1.902 2.473 . 0 0 "[ . 1 . 2]" 1 501 1 26 LEU QB 1 27 TYR QD 2.300 . 6.000 5.367 5.152 5.560 . 0 0 "[ . 1 . 2]" 1 502 1 26 LEU MD2 1 26 LEU HG 2.300 . 2.900 2.128 2.119 2.130 . 0 0 "[ . 1 . 2]" 1 503 1 26 LEU MD2 1 27 TYR H 2.700 . 6.000 4.268 3.719 4.517 . 0 0 "[ . 1 . 2]" 1 504 1 26 LEU HG 1 27 TYR H 3.300 . 4.600 3.543 2.924 4.377 . 0 0 "[ . 1 . 2]" 1 505 1 27 TYR H 1 27 TYR HA 3.000 . 4.200 2.940 2.915 2.946 . 0 0 "[ . 1 . 2]" 1 506 1 27 TYR H 1 27 TYR HB2 3.000 . 4.100 2.457 2.292 2.583 . 0 0 "[ . 1 . 2]" 1 507 1 27 TYR H 1 27 TYR HB3 2.400 . 3.100 3.113 3.071 3.144 0.044 1 0 "[ . 1 . 2]" 1 508 1 27 TYR H 1 27 TYR QD 4.800 . 6.000 3.986 3.835 4.091 . 0 0 "[ . 1 . 2]" 1 509 1 27 TYR H 1 28 CYS H 4.800 . 6.000 4.363 4.276 4.438 . 0 0 "[ . 1 . 2]" 1 510 1 27 TYR HA 1 27 TYR HB2 2.800 . 3.800 2.764 2.745 2.777 . 0 0 "[ . 1 . 2]" 1 511 1 27 TYR HA 1 27 TYR QD 2.400 . 3.100 2.443 2.232 2.775 . 0 0 "[ . 1 . 2]" 1 512 1 27 TYR HA 1 27 TYR QE 4.600 . 6.000 4.233 4.148 4.337 . 0 0 "[ . 1 . 2]" 1 513 1 27 TYR HA 1 28 CYS H 2.000 . 2.500 2.126 2.101 2.153 . 0 0 "[ . 1 . 2]" 1 514 1 27 TYR HB2 1 27 TYR QD 2.400 . 3.100 2.614 2.478 2.689 . 0 0 "[ . 1 . 2]" 1 515 1 27 TYR HB2 1 28 CYS H 4.400 . 6.000 4.481 4.447 4.510 . 0 0 "[ . 1 . 2]" 1 516 1 27 TYR HB3 1 27 TYR QD 2.500 . 3.300 2.292 2.281 2.324 . 0 0 "[ . 1 . 2]" 1 517 1 27 TYR HB3 1 28 CYS H 5.000 . 6.000 3.800 3.705 3.900 . 0 0 "[ . 1 . 2]" 1 518 1 27 TYR QD 1 28 CYS H 4.300 . 6.000 3.865 3.811 3.906 . 0 0 "[ . 1 . 2]" 1 519 1 27 TYR QE 1 28 CYS H 3.500 . 5.000 5.041 5.015 5.064 0.064 5 0 "[ . 1 . 2]" 1 520 1 28 CYS H 1 28 CYS HA 2.900 . 3.900 2.945 2.937 2.949 . 0 0 "[ . 1 . 2]" 1 521 1 28 CYS H 1 28 CYS HB2 2.600 . 3.400 2.914 2.630 3.229 . 0 0 "[ . 1 . 2]" 1 522 1 28 CYS H 1 28 CYS HB3 3.000 . 4.200 2.940 2.470 3.820 . 0 0 "[ . 1 . 2]" 1 523 1 28 CYS HA 1 28 CYS HB2 2.800 . 3.800 2.622 2.370 3.025 . 0 0 "[ . 1 . 2]" 1 524 1 28 CYS HA 1 28 CYS HB3 2.900 . 3.900 2.852 2.400 3.028 . 0 0 "[ . 1 . 2]" 1 525 1 28 CYS HA 1 29 CYS HB3 5.900 . 6.000 5.196 4.774 5.781 . 0 0 "[ . 1 . 2]" 1 526 1 28 CYS HB2 1 29 CYS H 4.800 . 6.000 4.200 3.775 4.452 . 0 0 "[ . 1 . 2]" 1 527 1 28 CYS HB3 1 29 CYS H 3.600 . 5.300 3.892 2.715 4.498 . 0 0 "[ . 1 . 2]" 1 528 1 29 CYS H 1 29 CYS HA 3.000 . 4.100 2.917 2.856 2.947 . 0 0 "[ . 1 . 2]" 1 529 1 29 CYS H 1 29 CYS HB2 3.300 . 4.700 2.794 2.443 3.198 . 0 0 "[ . 1 . 2]" 1 530 1 29 CYS H 1 29 CYS HB3 2.900 . 3.900 3.291 2.840 3.693 . 0 0 "[ . 1 . 2]" 1 531 1 29 CYS H 1 30 PRO HD3 4.500 . 6.000 4.546 3.490 4.984 . 0 0 "[ . 1 . 2]" 1 532 1 29 CYS HA 1 29 CYS HB2 2.600 . 3.400 2.779 2.589 3.025 . 0 0 "[ . 1 . 2]" 1 533 1 29 CYS HA 1 29 CYS HB3 2.900 . 3.900 2.819 2.438 3.007 . 0 0 "[ . 1 . 2]" 1 534 1 29 CYS HA 1 30 PRO HD2 2.200 . 2.800 2.374 1.911 2.839 0.039 2 0 "[ . 1 . 2]" 1 535 1 29 CYS HA 1 30 PRO HD3 2.100 . 2.700 2.252 1.888 2.806 0.106 18 0 "[ . 1 . 2]" 1 536 1 29 CYS HA 1 30 PRO HG2 5.700 . 6.000 4.401 4.058 4.657 . 0 0 "[ . 1 . 2]" 1 537 1 29 CYS HA 1 30 PRO HG3 5.400 . 6.000 4.336 4.063 4.505 . 0 0 "[ . 1 . 2]" 1 538 1 29 CYS HB2 1 30 PRO HD2 4.300 . 6.000 4.228 3.725 4.555 . 0 0 "[ . 1 . 2]" 1 539 1 29 CYS HB2 1 30 PRO HD3 4.000 . 6.000 4.801 4.312 5.212 . 0 0 "[ . 1 . 2]" 1 540 1 30 PRO HA 1 30 PRO HB3 2.600 . 3.400 2.298 2.278 2.324 . 0 0 "[ . 1 . 2]" 1 541 1 30 PRO HA 1 30 PRO HD2 4.700 . 6.000 4.035 3.917 4.102 . 0 0 "[ . 1 . 2]" 1 542 1 30 PRO HA 1 30 PRO HD3 4.200 . 6.000 3.639 3.447 3.844 . 0 0 "[ . 1 . 2]" 1 543 1 30 PRO HA 1 31 ARG H 2.200 . 2.800 2.290 2.140 2.809 0.009 6 0 "[ . 1 . 2]" 1 544 1 30 PRO HA 1 31 ARG HA 6.000 . 6.000 4.385 4.312 4.517 . 0 0 "[ . 1 . 2]" 1 545 1 30 PRO HA 1 31 ARG HB3 5.500 . 6.000 5.286 4.586 6.220 0.220 6 0 "[ . 1 . 2]" 1 546 1 30 PRO HA 1 32 ARG H 5.800 . 6.000 4.374 3.258 5.514 . 0 0 "[ . 1 . 2]" 1 547 1 30 PRO HB2 1 30 PRO HD2 3.900 . 5.800 3.662 2.937 4.054 . 0 0 "[ . 1 . 2]" 1 548 1 30 PRO HB2 1 30 PRO HG3 2.900 . 3.900 2.781 2.660 2.998 . 0 0 "[ . 1 . 2]" 1 549 1 30 PRO HB2 1 31 ARG H 3.600 . 5.300 3.445 2.570 4.364 . 0 0 "[ . 1 . 2]" 1 550 1 30 PRO HB2 1 32 ARG H 4.100 . 6.000 3.697 2.090 5.617 . 0 0 "[ . 1 . 2]" 1 551 1 30 PRO HB3 1 30 PRO HD3 3.500 . 5.100 3.362 2.946 4.055 . 0 0 "[ . 1 . 2]" 1 552 1 30 PRO HB3 1 30 PRO HG2 2.600 . 3.400 2.878 2.658 2.995 . 0 0 "[ . 1 . 2]" 1 553 1 30 PRO HB3 1 30 PRO HG3 2.200 . 2.800 2.322 2.313 2.330 . 0 0 "[ . 1 . 2]" 1 554 1 30 PRO HB3 1 31 ARG H 4.000 . 6.000 3.668 2.464 4.671 . 0 0 "[ . 1 . 2]" 1 555 1 30 PRO HB3 1 32 ARG H 4.500 . 6.000 4.747 3.477 5.998 . 0 0 "[ . 1 . 2]" 1 556 1 30 PRO HD2 1 30 PRO HG2 2.600 . 3.400 2.305 2.273 2.319 . 0 0 "[ . 1 . 2]" 1 557 1 30 PRO HD2 1 30 PRO HG3 3.000 . 4.100 2.809 2.683 2.994 . 0 0 "[ . 1 . 2]" 1 558 1 30 PRO HD3 1 30 PRO HG2 3.000 . 4.100 2.881 2.678 2.994 . 0 0 "[ . 1 . 2]" 1 559 1 30 PRO HD3 1 30 PRO HG3 2.500 . 3.300 2.304 2.274 2.318 . 0 0 "[ . 1 . 2]" 1 560 1 31 ARG H 1 31 ARG HB2 3.000 . 4.100 2.706 2.393 3.701 . 0 0 "[ . 1 . 2]" 1 561 1 31 ARG H 1 31 ARG HB3 2.900 . 4.000 3.143 2.432 3.798 . 0 0 "[ . 1 . 2]" 1 562 1 31 ARG H 1 31 ARG QD 5.100 . 6.000 4.159 3.388 4.890 . 0 0 "[ . 1 . 2]" 1 563 1 31 ARG H 1 31 ARG QG 3.100 . 4.300 3.060 1.910 4.130 . 0 0 "[ . 1 . 2]" 1 564 1 31 ARG H 1 32 ARG H 3.200 . 4.500 2.970 1.995 4.179 . 0 0 "[ . 1 . 2]" 1 565 1 31 ARG HA 1 31 ARG HB2 2.600 . 3.400 2.745 2.427 3.026 . 0 0 "[ . 1 . 2]" 1 566 1 31 ARG HA 1 31 ARG HB3 3.000 . 4.100 2.692 2.420 3.026 . 0 0 "[ . 1 . 2]" 1 567 1 31 ARG HA 1 31 ARG QD 4.400 . 6.000 3.737 2.057 4.493 . 0 0 "[ . 1 . 2]" 1 568 1 31 ARG HA 1 31 ARG HE 5.300 . 6.000 4.648 3.741 5.992 . 0 0 "[ . 1 . 2]" 1 569 1 31 ARG HA 1 31 ARG QG 3.000 . 4.100 2.633 2.370 3.344 . 0 0 "[ . 1 . 2]" 1 570 1 31 ARG HA 1 32 ARG H 2.700 . 3.600 3.049 2.213 3.575 . 0 0 "[ . 1 . 2]" 1 571 1 31 ARG HB2 1 31 ARG QD 3.100 . 4.300 2.618 2.344 3.494 . 0 0 "[ . 1 . 2]" 1 572 1 31 ARG HB2 1 31 ARG QD 3.000 . 4.100 2.339 2.096 2.765 . 0 0 "[ . 1 . 2]" 1 573 1 31 ARG HB2 1 32 ARG H 3.300 . 4.600 2.812 1.860 3.603 0.140 2 0 "[ . 1 . 2]" 1 574 1 31 ARG HB3 1 32 ARG H 3.400 . 4.900 2.869 2.083 3.544 . 0 0 "[ . 1 . 2]" 1 575 1 31 ARG QD 1 31 ARG QG 2.100 . 2.700 1.854 1.826 1.881 . 0 0 "[ . 1 . 2]" 1 576 1 31 ARG HG3 1 32 ARG H 3.700 . 5.400 2.951 1.958 4.031 0.042 9 0 "[ . 1 . 2]" 1 577 1 32 ARG H 1 32 ARG HA 2.800 . 3.800 2.897 2.802 2.943 . 0 0 "[ . 1 . 2]" 1 578 1 32 ARG H 1 32 ARG QD 5.400 . 6.000 4.234 3.416 5.011 . 0 0 "[ . 1 . 2]" 1 579 1 32 ARG HA 1 32 ARG QD 4.700 . 6.000 3.232 2.034 4.558 . 0 0 "[ . 1 . 2]" 1 580 1 32 ARG HA 1 32 ARG QG 3.600 . 5.200 2.837 2.413 3.351 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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