NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
407596 | 1yfb | 6478 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yfb 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 325 _Distance_constraint_stats_list.Viol_count 63 _Distance_constraint_stats_list.Viol_total 249.981 _Distance_constraint_stats_list.Viol_max 18.374 _Distance_constraint_stats_list.Viol_rms 2.9620 _Distance_constraint_stats_list.Viol_average_all_restraints 0.7692 _Distance_constraint_stats_list.Viol_average_violations_only 3.9680 _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 11 SER 0.332 0.332 1 0 "[ ]" 1 12 THR 0.668 0.332 1 0 "[ ]" 1 13 GLY 0.024 0.019 1 0 "[ ]" 1 14 ILE 0.132 0.113 1 0 "[ ]" 1 15 VAL 101.168 15.541 1 1 [+] 1 16 ARG 7.284 7.222 1 1 [+] 1 17 LYS 17.427 17.427 1 1 [+] 1 18 VAL 76.129 18.374 1 1 [+] 1 19 ASP 15.241 15.241 1 1 [+] 1 20 GLU 0.000 0.000 . 0 "[ ]" 1 21 LEU 7.288 6.103 1 1 [+] 1 22 GLY 7.323 7.323 1 1 [+] 1 23 ARG 12.405 4.726 1 1 [+] 1 24 VAL 0.860 0.860 1 1 [+] 1 25 VAL 7.355 4.260 1 1 [+] 1 26 ILE 12.054 7.323 1 1 [+] 1 27 PRO 0.070 0.070 1 0 "[ ]" 1 28 ILE 0.209 0.078 1 0 "[ ]" 1 29 GLU 0.092 0.070 1 0 "[ ]" 1 30 LEU 0.545 0.346 1 0 "[ ]" 1 31 ARG 6.114 6.103 1 1 [+] 1 32 ARG 0.285 0.131 1 0 "[ ]" 1 33 THR 0.016 0.015 1 0 "[ ]" 1 34 LEU 0.015 0.015 1 0 "[ ]" 1 35 GLY 0.101 0.101 1 0 "[ ]" 1 36 ILE 14.115 13.929 1 1 [+] 1 37 ALA 11.491 11.406 1 1 [+] 1 38 GLU 0.000 0.000 . 0 "[ ]" 1 39 LYS 25.771 15.241 1 1 [+] 1 40 ASP 11.582 11.139 1 1 [+] 1 41 ALA 41.983 18.374 1 1 [+] 1 42 LEU 37.081 17.427 1 1 [+] 1 43 GLU 23.323 12.668 1 1 [+] 1 44 ILE 15.541 15.541 1 1 [+] 1 45 TYR 0.765 0.584 1 1 [+] 1 46 VAL 1.178 0.778 1 1 [+] 1 47 ASP 1.127 0.778 1 1 [+] 1 48 ASP 0.345 0.246 1 0 "[ ]" 1 49 GLU 0.656 0.338 1 0 "[ ]" 1 50 LYS 0.073 0.073 1 0 "[ ]" 1 51 ILE 0.000 0.000 . 0 "[ ]" 1 52 ILE 0.584 0.584 1 1 [+] 1 53 LEU 0.585 0.440 1 0 "[ ]" 1 54 LYS 0.783 0.440 1 0 "[ ]" 1 55 LYS 0.126 0.126 1 0 "[ ]" 1 56 TYR 38.594 13.681 1 1 [+] 1 57 LYS 0.000 0.000 . 0 "[ ]" 1 58 PRO 0.000 0.000 . 0 "[ ]" 1 59 ASN 0.000 0.000 . 0 "[ ]" 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 11 SER H 1 12 THR H 3.200 3.200 8.200 4.527 4.527 4.527 . 0 0 "[ ]" 1 2 1 11 SER HA 1 12 THR H 2.700 2.700 7.700 2.368 2.368 2.368 0.332 1 0 "[ ]" 1 3 1 12 THR H 1 12 THR HA 2.700 2.700 7.700 2.852 2.852 2.852 . 0 0 "[ ]" 1 4 1 12 THR H 1 12 THR HB 0.000 . 3.200 3.531 3.531 3.531 0.331 1 0 "[ ]" 1 5 1 12 THR H 1 12 THR MG 0.000 . 4.800 1.913 1.913 1.913 . 0 0 "[ ]" 1 6 1 12 THR H 1 13 GLY H 0.000 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1 7 1 12 THR HA 1 13 GLY H 2.700 2.700 7.700 3.548 3.548 3.548 . 0 0 "[ ]" 1 8 1 12 THR HB 1 13 GLY H 2.700 2.700 4.000 3.792 3.792 3.792 . 0 0 "[ ]" 1 9 1 13 GLY H 1 14 ILE H 2.700 2.700 4.000 2.681 2.681 2.681 0.019 1 0 "[ ]" 1 10 1 13 GLY QA 1 14 ILE H 0.000 . 3.500 2.697 2.697 2.697 . 0 0 "[ ]" 1 11 1 14 ILE H 1 14 ILE HA 2.700 2.700 7.700 3.010 3.010 3.010 . 0 0 "[ ]" 1 12 1 14 ILE H 1 14 ILE HB 0.000 . 2.700 2.542 2.542 2.542 . 0 0 "[ ]" 1 13 1 14 ILE H 1 15 VAL H 3.200 3.200 8.200 4.465 4.465 4.465 . 0 0 "[ ]" 1 14 1 14 ILE HA 1 15 VAL H 0.000 . 2.700 2.235 2.235 2.235 . 0 0 "[ ]" 1 15 1 14 ILE HA 1 15 VAL QG 0.000 . 5.600 3.314 3.314 3.314 . 0 0 "[ ]" 1 16 1 14 ILE HB 1 15 VAL H 0.000 . 4.000 4.113 4.113 4.113 0.113 1 0 "[ ]" 1 17 1 14 ILE MG 1 15 VAL H 0.000 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 1 18 1 15 VAL H 1 15 VAL HA 2.700 2.700 7.700 2.994 2.994 2.994 . 0 0 "[ ]" 1 19 1 15 VAL H 1 15 VAL HB 0.000 . 2.700 2.444 2.444 2.444 . 0 0 "[ ]" 1 20 1 15 VAL H 1 15 VAL QG 0.000 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1 21 1 15 VAL HA 1 16 ARG H 0.000 . 2.700 2.257 2.257 2.257 . 0 0 "[ ]" 1 22 1 15 VAL HA 1 44 ILE H 0.000 . 4.000 19.541 19.541 19.541 15.541 1 1 [+] 1 23 1 15 VAL HB 1 16 ARG H 0.000 . 4.000 4.062 4.062 4.062 0.062 1 0 "[ ]" 1 24 1 15 VAL QG 1 16 ARG H 0.000 . 4.000 2.080 2.080 2.080 . 0 0 "[ ]" 1 25 1 15 VAL QG 1 41 ALA MB 0.000 . 4.300 16.222 16.222 16.222 11.922 1 1 [+] 1 26 1 15 VAL QG 1 42 LEU H 0.000 . 4.800 16.740 16.740 16.740 11.940 1 1 [+] 1 27 1 15 VAL QG 1 43 GLU HA 0.000 . 4.000 16.668 16.668 16.668 12.668 1 1 [+] 1 28 1 15 VAL QG 1 43 GLU QB 0.000 . 4.800 15.318 15.318 15.318 10.518 1 1 [+] 1 29 1 15 VAL QG 1 56 TYR QB 0.000 . 4.800 16.219 16.219 16.219 11.419 1 1 [+] 1 30 1 15 VAL QG 1 56 TYR QD 0.000 . 4.000 17.304 17.304 17.304 13.304 1 1 [+] 1 31 1 15 VAL QG 1 56 TYR QE 0.000 . 4.800 18.481 18.481 18.481 13.681 1 1 [+] 1 32 1 16 ARG H 1 16 ARG HA 2.700 2.700 7.700 3.000 3.000 3.000 . 0 0 "[ ]" 1 33 1 16 ARG H 1 16 ARG HB2 0.000 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 1 34 1 16 ARG H 1 16 ARG HB3 0.000 . 3.200 2.628 2.628 2.628 . 0 0 "[ ]" 1 35 1 16 ARG H 1 17 LYS H 3.200 3.200 8.200 4.492 4.492 4.492 . 0 0 "[ ]" 1 36 1 16 ARG H 1 42 LEU QD 0.000 . 4.800 12.022 12.022 12.022 7.222 1 1 [+] 1 37 1 16 ARG HA 1 17 LYS H 0.000 . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1 38 1 17 LYS H 1 17 LYS HA 2.700 2.700 7.700 2.937 2.937 2.937 . 0 0 "[ ]" 1 39 1 17 LYS H 1 18 VAL H 3.200 3.200 8.200 4.639 4.639 4.639 . 0 0 "[ ]" 1 40 1 17 LYS HA 1 18 VAL H 0.000 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1 41 1 17 LYS HA 1 42 LEU H 0.000 . 4.000 21.427 21.427 21.427 17.427 1 1 [+] 1 42 1 17 LYS QB 1 18 VAL H 0.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1 43 1 18 VAL H 1 18 VAL HA 2.700 2.700 7.700 2.939 2.939 2.939 . 0 0 "[ ]" 1 44 1 18 VAL H 1 18 VAL HB 0.000 . 3.200 2.602 2.602 2.602 . 0 0 "[ ]" 1 45 1 18 VAL H 1 18 VAL QG 0.000 . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 1 46 1 18 VAL H 1 19 ASP H 3.200 3.200 8.200 4.570 4.570 4.570 . 0 0 "[ ]" 1 47 1 18 VAL H 1 36 ILE MD 0.000 . 4.800 18.729 18.729 18.729 13.929 1 1 [+] 1 48 1 18 VAL H 1 41 ALA HA 0.000 . 4.000 22.374 22.374 22.374 18.374 1 1 [+] 1 49 1 18 VAL HA 1 19 ASP H 0.000 . 2.700 2.229 2.229 2.229 . 0 0 "[ ]" 1 50 1 18 VAL QG 1 19 ASP H 0.000 . 4.800 2.658 2.658 2.658 . 0 0 "[ ]" 1 51 1 18 VAL QG 1 22 GLY H 0.000 . 4.800 3.116 3.116 3.116 . 0 0 "[ ]" 1 52 1 18 VAL QG 1 37 ALA H 0.000 . 4.800 16.206 16.206 16.206 11.406 1 1 [+] 1 53 1 18 VAL QG 1 39 LYS H 0.000 . 4.800 15.116 15.116 15.116 10.316 1 1 [+] 1 54 1 18 VAL QG 1 40 ASP H 0.000 . 4.800 15.939 15.939 15.939 11.139 1 1 [+] 1 55 1 18 VAL QG 1 41 ALA H 0.000 . 5.800 16.765 16.765 16.765 10.965 1 1 [+] 1 56 1 19 ASP H 1 19 ASP HA 2.700 2.700 7.700 2.941 2.941 2.941 . 0 0 "[ ]" 1 57 1 19 ASP H 1 19 ASP QB 0.000 . 3.200 2.231 2.231 2.231 . 0 0 "[ ]" 1 58 1 19 ASP H 1 20 GLU H 3.200 3.200 8.200 4.530 4.530 4.530 . 0 0 "[ ]" 1 59 1 19 ASP HA 1 20 GLU H 0.000 . 2.700 2.664 2.664 2.664 . 0 0 "[ ]" 1 60 1 19 ASP HA 1 39 LYS H 0.000 . 4.000 19.241 19.241 19.241 15.241 1 1 [+] 1 61 1 19 ASP QB 1 20 GLU H 0.000 . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1 62 1 20 GLU H 1 20 GLU HA 2.700 2.700 7.700 2.791 2.791 2.791 . 0 0 "[ ]" 1 63 1 20 GLU H 1 21 LEU H 0.000 . 3.200 2.940 2.940 2.940 . 0 0 "[ ]" 1 64 1 20 GLU HA 1 21 LEU H 3.200 3.200 8.200 3.577 3.577 3.577 . 0 0 "[ ]" 1 65 1 20 GLU QB 1 21 LEU H 0.000 . 4.800 2.539 2.539 2.539 . 0 0 "[ ]" 1 66 1 21 LEU H 1 21 LEU HA 2.700 2.700 7.700 2.918 2.918 2.918 . 0 0 "[ ]" 1 67 1 21 LEU H 1 21 LEU QB 0.000 . 3.200 2.177 2.177 2.177 . 0 0 "[ ]" 1 68 1 21 LEU H 1 22 GLY H 0.000 . 2.700 2.629 2.629 2.629 . 0 0 "[ ]" 1 69 1 21 LEU H 1 23 ARG QD 0.000 . 4.800 5.025 5.025 5.025 0.225 1 0 "[ ]" 1 70 1 21 LEU HA 1 22 GLY H 2.700 2.700 7.700 3.400 3.400 3.400 . 0 0 "[ ]" 1 71 1 21 LEU QB 1 23 ARG H 0.000 . 2.700 3.659 3.659 3.659 0.959 1 1 [+] 1 72 1 21 LEU QD 1 23 ARG H 0.000 . 5.500 4.616 4.616 4.616 . 0 0 "[ ]" 1 73 1 21 LEU QD 1 31 ARG QD 0.000 . 5.800 11.903 11.903 11.903 6.103 1 1 [+] 1 74 1 22 GLY H 1 23 ARG H 0.000 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1 75 1 22 GLY QA 1 26 ILE H 0.000 . 4.000 11.323 11.323 11.323 7.323 1 1 [+] 1 76 1 23 ARG H 1 23 ARG HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1 77 1 23 ARG H 1 23 ARG QB 0.000 . 3.200 2.343 2.343 2.343 . 0 0 "[ ]" 1 78 1 23 ARG H 1 23 ARG HE 0.000 . 4.000 3.375 3.375 3.375 . 0 0 "[ ]" 1 79 1 23 ARG H 1 24 VAL H 3.200 3.200 8.200 4.549 4.549 4.549 . 0 0 "[ ]" 1 80 1 23 ARG HA 1 23 ARG QB 0.000 . 2.700 2.408 2.408 2.408 . 0 0 "[ ]" 1 81 1 23 ARG HA 1 24 VAL H 0.000 . 2.700 2.340 2.340 2.340 . 0 0 "[ ]" 1 82 1 23 ARG HA 1 25 VAL HA 0.000 . 2.700 6.960 6.960 6.960 4.260 1 1 [+] 1 83 1 23 ARG HA 1 25 VAL QG 0.000 . 4.800 5.605 5.605 5.605 0.805 1 1 [+] 1 84 1 23 ARG HA 1 26 ILE H 0.000 . 4.000 8.726 8.726 8.726 4.726 1 1 [+] 1 85 1 23 ARG QB 1 24 VAL H 0.000 . 4.000 2.803 2.803 2.803 . 0 0 "[ ]" 1 86 1 23 ARG QB 1 25 VAL HA 0.000 . 4.000 5.430 5.430 5.430 1.430 1 1 [+] 1 87 1 24 VAL H 1 24 VAL HA 2.700 2.700 7.700 3.003 3.003 3.003 . 0 0 "[ ]" 1 88 1 24 VAL H 1 24 VAL HB 3.200 3.200 8.200 3.742 3.742 3.742 . 0 0 "[ ]" 1 89 1 24 VAL H 1 24 VAL MG1 0.000 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1 90 1 24 VAL H 1 24 VAL MG2 0.000 . 3.500 1.994 1.994 1.994 . 0 0 "[ ]" 1 91 1 24 VAL H 1 25 VAL H 3.200 3.200 8.200 4.509 4.509 4.509 . 0 0 "[ ]" 1 92 1 24 VAL H 1 25 VAL HA 0.000 . 4.000 4.860 4.860 4.860 0.860 1 1 [+] 1 93 1 24 VAL HA 1 25 VAL H 0.000 . 2.700 2.341 2.341 2.341 . 0 0 "[ ]" 1 94 1 25 VAL H 1 25 VAL HA 2.700 2.700 7.700 2.991 2.991 2.991 . 0 0 "[ ]" 1 95 1 25 VAL H 1 25 VAL HB 0.000 . 2.700 2.516 2.516 2.516 . 0 0 "[ ]" 1 96 1 25 VAL H 1 25 VAL QG 0.000 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1 97 1 25 VAL HA 1 26 ILE H 0.000 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1 98 1 25 VAL QG 1 26 ILE H 0.000 . 4.000 2.363 2.363 2.363 . 0 0 "[ ]" 1 99 1 26 ILE H 1 26 ILE HA 2.700 2.700 7.700 2.955 2.955 2.955 . 0 0 "[ ]" 1 100 1 26 ILE H 1 26 ILE HB 0.000 . 3.200 2.087 2.087 2.087 . 0 0 "[ ]" 1 101 1 26 ILE H 1 26 ILE HG12 0.000 . 4.000 3.911 3.911 3.911 . 0 0 "[ ]" 1 102 1 26 ILE H 1 26 ILE HG13 0.000 . 4.000 4.004 4.004 4.004 0.004 1 0 "[ ]" 1 103 1 26 ILE H 1 27 PRO HD2 3.200 3.200 8.200 4.788 4.788 4.788 . 0 0 "[ ]" 1 104 1 26 ILE H 1 27 PRO HD3 3.200 3.200 8.200 4.964 4.964 4.964 . 0 0 "[ ]" 1 105 1 26 ILE MD 1 27 PRO QD 0.000 . 6.600 3.568 3.568 3.568 . 0 0 "[ ]" 1 106 1 26 ILE MG 1 27 PRO QD 0.000 . 4.300 2.246 2.246 2.246 . 0 0 "[ ]" 1 107 1 26 ILE MG 1 31 ARG H 0.000 . 4.800 2.707 2.707 2.707 . 0 0 "[ ]" 1 108 1 27 PRO HA 1 28 ILE H 0.000 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1 109 1 27 PRO HA 1 29 GLU H 0.000 . 4.000 4.070 4.070 4.070 0.070 1 0 "[ ]" 1 110 1 27 PRO HB2 1 30 LEU H 0.000 . 3.200 2.890 2.890 2.890 . 0 0 "[ ]" 1 111 1 27 PRO HB3 1 28 ILE H 0.000 . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1 112 1 27 PRO HB3 1 30 LEU H 0.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1 113 1 28 ILE H 1 28 ILE HA 2.700 2.700 7.700 2.822 2.822 2.822 . 0 0 "[ ]" 1 114 1 28 ILE H 1 28 ILE HB 0.000 . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1 115 1 28 ILE H 1 28 ILE MG 0.000 . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1 116 1 28 ILE H 1 29 GLU H 2.700 2.700 4.000 2.797 2.797 2.797 . 0 0 "[ ]" 1 117 1 28 ILE HA 1 28 ILE HB 0.000 . 2.700 2.550 2.550 2.550 . 0 0 "[ ]" 1 118 1 28 ILE HA 1 28 ILE MD 0.000 . 4.000 2.082 2.082 2.082 . 0 0 "[ ]" 1 119 1 28 ILE HA 1 28 ILE QG 0.000 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1 120 1 28 ILE HA 1 29 GLU H 3.200 3.200 8.200 3.538 3.538 3.538 . 0 0 "[ ]" 1 121 1 28 ILE HA 1 30 LEU H 0.000 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1 122 1 28 ILE HA 1 31 ARG H 0.000 . 4.000 2.976 2.976 2.976 . 0 0 "[ ]" 1 123 1 28 ILE HA 1 31 ARG HB2 0.000 . 3.200 2.395 2.395 2.395 . 0 0 "[ ]" 1 124 1 28 ILE HA 1 31 ARG HB3 0.000 . 4.000 3.732 3.732 3.732 . 0 0 "[ ]" 1 125 1 28 ILE HA 1 31 ARG QG 0.000 . 4.800 2.145 2.145 2.145 . 0 0 "[ ]" 1 126 1 28 ILE HA 1 32 ARG H 0.000 . 4.000 4.074 4.074 4.074 0.074 1 0 "[ ]" 1 127 1 28 ILE MG 1 29 GLU HA 0.000 . 4.800 3.093 3.093 3.093 . 0 0 "[ ]" 1 128 1 28 ILE MG 1 32 ARG H 0.000 . 4.800 4.878 4.878 4.878 0.078 1 0 "[ ]" 1 129 1 29 GLU H 1 29 GLU HA 2.700 2.700 7.700 2.842 2.842 2.842 . 0 0 "[ ]" 1 130 1 29 GLU H 1 30 LEU H 0.000 . 2.700 2.712 2.712 2.712 0.012 1 0 "[ ]" 1 131 1 29 GLU H 1 31 ARG H 0.000 . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1 132 1 29 GLU HA 1 30 LEU H 3.200 3.200 8.200 3.539 3.539 3.539 . 0 0 "[ ]" 1 133 1 29 GLU HA 1 32 ARG H 0.000 . 4.000 3.906 3.906 3.906 . 0 0 "[ ]" 1 134 1 29 GLU HA 1 32 ARG QB 0.000 . 4.000 3.396 3.396 3.396 . 0 0 "[ ]" 1 135 1 29 GLU QB 1 30 LEU H 0.000 . 4.000 2.563 2.563 2.563 . 0 0 "[ ]" 1 136 1 29 GLU QG 1 30 LEU H 0.000 . 4.800 3.751 3.751 3.751 . 0 0 "[ ]" 1 137 1 30 LEU H 1 30 LEU HA 2.700 2.700 7.700 2.934 2.934 2.934 . 0 0 "[ ]" 1 138 1 30 LEU H 1 30 LEU HB2 0.000 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1 139 1 30 LEU H 1 30 LEU HB3 0.000 . 3.200 3.546 3.546 3.546 0.346 1 0 "[ ]" 1 140 1 30 LEU H 1 31 ARG H 0.000 . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1 141 1 30 LEU H 1 32 ARG H 0.000 . 4.000 4.131 4.131 4.131 0.131 1 0 "[ ]" 1 142 1 30 LEU HA 1 31 ARG H 3.200 3.200 8.200 3.535 3.535 3.535 . 0 0 "[ ]" 1 143 1 30 LEU HA 1 33 THR H 0.000 . 4.000 3.274 3.274 3.274 . 0 0 "[ ]" 1 144 1 30 LEU HB2 1 31 ARG H 0.000 . 4.000 2.828 2.828 2.828 . 0 0 "[ ]" 1 145 1 30 LEU HB3 1 31 ARG H 0.000 . 4.000 3.814 3.814 3.814 . 0 0 "[ ]" 1 146 1 31 ARG H 1 31 ARG HA 2.700 2.700 7.700 2.869 2.869 2.869 . 0 0 "[ ]" 1 147 1 31 ARG H 1 31 ARG HB2 0.000 . 3.200 2.451 2.451 2.451 . 0 0 "[ ]" 1 148 1 31 ARG H 1 31 ARG HB3 0.000 . 4.000 3.562 3.562 3.562 . 0 0 "[ ]" 1 149 1 31 ARG H 1 32 ARG H 0.000 . 2.700 2.691 2.691 2.691 . 0 0 "[ ]" 1 150 1 31 ARG HA 1 31 ARG HB3 0.000 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1 151 1 31 ARG HA 1 32 ARG H 3.200 3.200 8.200 3.560 3.560 3.560 . 0 0 "[ ]" 1 152 1 31 ARG HA 1 34 LEU H 0.000 . 4.000 3.944 3.944 3.944 . 0 0 "[ ]" 1 153 1 31 ARG HA 1 34 LEU QB 0.000 . 3.500 3.182 3.182 3.182 . 0 0 "[ ]" 1 154 1 31 ARG HB2 1 32 ARG H 0.000 . 3.200 2.400 2.400 2.400 . 0 0 "[ ]" 1 155 1 31 ARG HB3 1 32 ARG H 0.000 . 4.000 3.527 3.527 3.527 . 0 0 "[ ]" 1 156 1 32 ARG H 1 32 ARG HA 2.700 2.700 7.700 2.899 2.899 2.899 . 0 0 "[ ]" 1 157 1 32 ARG H 1 32 ARG QB 0.000 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 1 158 1 32 ARG H 1 33 THR H 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1 159 1 32 ARG HA 1 33 THR H 3.200 3.200 8.200 3.587 3.587 3.587 . 0 0 "[ ]" 1 160 1 32 ARG HA 1 35 GLY H 0.000 . 4.000 3.653 3.653 3.653 . 0 0 "[ ]" 1 161 1 32 ARG QB 1 33 THR H 0.000 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1 162 1 32 ARG QG 1 33 THR H 0.000 . 4.800 3.956 3.956 3.956 . 0 0 "[ ]" 1 163 1 33 THR H 1 33 THR HA 2.700 2.700 7.700 2.855 2.855 2.855 . 0 0 "[ ]" 1 164 1 33 THR H 1 33 THR HB 0.000 . 3.200 2.489 2.489 2.489 . 0 0 "[ ]" 1 165 1 33 THR H 1 33 THR MG 0.000 . 4.000 3.697 3.697 3.697 . 0 0 "[ ]" 1 166 1 33 THR H 1 34 LEU H 0.000 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1 167 1 33 THR HA 1 34 LEU H 3.200 3.200 8.200 3.536 3.536 3.536 . 0 0 "[ ]" 1 168 1 33 THR MG 1 34 LEU H 0.000 . 4.800 3.681 3.681 3.681 . 0 0 "[ ]" 1 169 1 34 LEU H 1 34 LEU HA 2.700 2.700 7.700 2.944 2.944 2.944 . 0 0 "[ ]" 1 170 1 34 LEU H 1 34 LEU HB2 0.000 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1 171 1 34 LEU H 1 34 LEU HB3 0.000 . 2.700 2.490 2.490 2.490 . 0 0 "[ ]" 1 172 1 34 LEU H 1 35 GLY H 0.000 . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1 173 1 34 LEU HA 1 35 GLY H 3.200 3.200 8.200 3.372 3.372 3.372 . 0 0 "[ ]" 1 174 1 34 LEU QB 1 35 GLY H 0.000 . 4.000 3.244 3.244 3.244 . 0 0 "[ ]" 1 175 1 35 GLY H 1 35 GLY HA2 0.000 . 2.700 2.344 2.344 2.344 . 0 0 "[ ]" 1 176 1 35 GLY H 1 35 GLY HA3 2.700 2.700 7.700 2.867 2.867 2.867 . 0 0 "[ ]" 1 177 1 35 GLY H 1 36 ILE H 0.000 . 2.700 2.698 2.698 2.698 . 0 0 "[ ]" 1 178 1 35 GLY HA2 1 36 ILE H 0.000 . 2.700 2.801 2.801 2.801 0.101 1 0 "[ ]" 1 179 1 35 GLY HA3 1 36 ILE H 2.700 2.700 7.700 3.554 3.554 3.554 . 0 0 "[ ]" 1 180 1 36 ILE H 1 36 ILE HA 2.700 2.700 7.700 3.000 3.000 3.000 . 0 0 "[ ]" 1 181 1 36 ILE H 1 36 ILE HB 0.000 . 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 1 182 1 36 ILE HA 1 37 ALA H 0.000 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1 183 1 36 ILE HB 1 37 ALA H 0.000 . 4.000 4.085 4.085 4.085 0.085 1 0 "[ ]" 1 184 1 36 ILE MD 1 56 TYR H 0.000 . 4.800 4.008 4.008 4.008 . 0 0 "[ ]" 1 185 1 37 ALA H 1 37 ALA HA 2.700 2.700 7.700 2.988 2.988 2.988 . 0 0 "[ ]" 1 186 1 37 ALA H 1 37 ALA MB 0.000 . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1 187 1 37 ALA H 1 38 GLU H 3.200 3.200 8.200 4.460 4.460 4.460 . 0 0 "[ ]" 1 188 1 37 ALA H 1 40 ASP QB 0.000 . 3.200 2.413 2.413 2.413 . 0 0 "[ ]" 1 189 1 37 ALA HA 1 38 GLU H 0.000 . 2.700 2.456 2.456 2.456 . 0 0 "[ ]" 1 190 1 37 ALA MB 1 38 GLU H 0.000 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 1 191 1 37 ALA MB 1 40 ASP H 0.000 . 4.800 4.055 4.055 4.055 . 0 0 "[ ]" 1 192 1 37 ALA MB 1 40 ASP QB 0.000 . 4.000 3.666 3.666 3.666 . 0 0 "[ ]" 1 193 1 38 GLU H 1 38 GLU HA 2.700 2.700 7.700 2.808 2.808 2.808 . 0 0 "[ ]" 1 194 1 38 GLU H 1 38 GLU HB2 0.000 . 2.700 2.327 2.327 2.327 . 0 0 "[ ]" 1 195 1 38 GLU H 1 38 GLU HB3 0.000 . 2.700 2.552 2.552 2.552 . 0 0 "[ ]" 1 196 1 38 GLU H 1 39 LYS H 3.200 3.200 8.200 4.673 4.673 4.673 . 0 0 "[ ]" 1 197 1 38 GLU HA 1 39 LYS H 0.000 . 2.700 2.267 2.267 2.267 . 0 0 "[ ]" 1 198 1 38 GLU HA 1 40 ASP H 0.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1 199 1 39 LYS H 1 39 LYS HA 0.000 . 2.700 2.363 2.363 2.363 . 0 0 "[ ]" 1 200 1 39 LYS H 1 39 LYS HB2 0.000 . 3.200 3.143 3.143 3.143 . 0 0 "[ ]" 1 201 1 39 LYS H 1 39 LYS HB3 0.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1 202 1 39 LYS H 1 40 ASP H 0.000 . 3.200 2.794 2.794 2.794 . 0 0 "[ ]" 1 203 1 39 LYS HA 1 40 ASP H 2.700 2.700 7.700 3.382 3.382 3.382 . 0 0 "[ ]" 1 204 1 39 LYS HB2 1 40 ASP H 0.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1 205 1 39 LYS HB3 1 40 ASP H 0.000 . 3.200 3.414 3.414 3.414 0.214 1 0 "[ ]" 1 206 1 40 ASP H 1 40 ASP QB 0.000 . 3.200 2.194 2.194 2.194 . 0 0 "[ ]" 1 207 1 40 ASP H 1 41 ALA H 3.200 3.200 8.200 4.639 4.639 4.639 . 0 0 "[ ]" 1 208 1 40 ASP HA 1 41 ALA H 2.700 2.700 7.700 2.471 2.471 2.471 0.229 1 0 "[ ]" 1 209 1 40 ASP QB 1 41 ALA H 0.000 . 2.700 2.509 2.509 2.509 . 0 0 "[ ]" 1 210 1 41 ALA H 1 41 ALA MB 0.000 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1 211 1 41 ALA H 1 42 LEU H 3.200 3.200 8.200 4.508 4.508 4.508 . 0 0 "[ ]" 1 212 1 41 ALA HA 1 42 LEU H 2.700 2.700 7.700 2.207 2.207 2.207 0.493 1 0 "[ ]" 1 213 1 41 ALA MB 1 42 LEU H 0.000 . 4.000 3.196 3.196 3.196 . 0 0 "[ ]" 1 214 1 41 ALA MB 1 56 TYR QD 0.000 . 3.500 1.697 1.697 1.697 . 0 0 "[ ]" 1 215 1 41 ALA MB 1 56 TYR QE 0.000 . 4.000 3.338 3.338 3.338 . 0 0 "[ ]" 1 216 1 42 LEU H 1 42 LEU HB2 0.000 . 3.200 2.572 2.572 2.572 . 0 0 "[ ]" 1 217 1 42 LEU H 1 42 LEU HB3 0.000 . 4.000 3.681 3.681 3.681 . 0 0 "[ ]" 1 218 1 42 LEU H 1 43 GLU H 3.200 3.200 8.200 4.527 4.527 4.527 . 0 0 "[ ]" 1 219 1 42 LEU HA 1 43 GLU H 0.000 . 2.700 2.294 2.294 2.294 . 0 0 "[ ]" 1 220 1 42 LEU HA 1 56 TYR H 0.000 . 3.200 3.170 3.170 3.170 . 0 0 "[ ]" 1 221 1 42 LEU HB2 1 43 GLU H 0.000 . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 1 222 1 42 LEU HB3 1 43 GLU H 0.000 . 4.000 3.202 3.202 3.202 . 0 0 "[ ]" 1 223 1 43 GLU H 1 43 GLU HA 2.700 2.700 7.700 2.998 2.998 2.998 . 0 0 "[ ]" 1 224 1 43 GLU H 1 43 GLU QB 0.000 . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 1 225 1 43 GLU H 1 44 ILE H 3.200 3.200 8.200 4.477 4.477 4.477 . 0 0 "[ ]" 1 226 1 43 GLU H 1 54 LYS H 0.000 . 3.200 3.272 3.272 3.272 0.072 1 0 "[ ]" 1 227 1 43 GLU H 1 55 LYS HA 0.000 . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1 228 1 43 GLU H 1 56 TYR H 0.000 . 5.000 3.825 3.825 3.825 . 0 0 "[ ]" 1 229 1 43 GLU H 1 56 TYR QB 2.700 2.700 5.000 2.636 2.636 2.636 0.064 1 0 "[ ]" 1 230 1 43 GLU HA 1 44 ILE H 0.000 . 2.700 2.223 2.223 2.223 . 0 0 "[ ]" 1 231 1 43 GLU HA 1 56 TYR QD 0.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1 232 1 43 GLU QB 1 44 ILE H 0.000 . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 1 233 1 43 GLU QB 1 45 TYR QE 0.000 . 3.200 2.407 2.407 2.407 . 0 0 "[ ]" 1 234 1 43 GLU QB 1 56 TYR QD 0.000 . 3.200 2.289 2.289 2.289 . 0 0 "[ ]" 1 235 1 43 GLU QB 1 56 TYR QE 0.000 . 4.000 3.856 3.856 3.856 . 0 0 "[ ]" 1 236 1 44 ILE H 1 44 ILE HA 2.700 2.700 7.700 2.982 2.982 2.982 . 0 0 "[ ]" 1 237 1 44 ILE H 1 44 ILE HB 0.000 . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1 238 1 44 ILE H 1 45 TYR H 3.200 3.200 8.200 4.471 4.471 4.471 . 0 0 "[ ]" 1 239 1 44 ILE HA 1 45 TYR H 0.000 . 2.700 2.184 2.184 2.184 . 0 0 "[ ]" 1 240 1 44 ILE HA 1 45 TYR HD1 0.000 . 4.000 2.925 2.925 2.925 . 0 0 "[ ]" 1 241 1 44 ILE HA 1 54 LYS H 0.000 . 4.000 3.798 3.798 3.798 . 0 0 "[ ]" 1 242 1 45 TYR H 1 45 TYR HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1 243 1 45 TYR H 1 46 VAL H 3.200 3.200 8.200 4.549 4.549 4.549 . 0 0 "[ ]" 1 244 1 45 TYR H 1 52 ILE H 0.000 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1 245 1 45 TYR HA 1 46 VAL H 0.000 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1 246 1 45 TYR QB 1 46 VAL H 0.000 . 3.500 2.741 2.741 2.741 . 0 0 "[ ]" 1 247 1 45 TYR HB2 1 45 TYR HD1 0.000 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1 248 1 45 TYR HB3 1 45 TYR HD2 0.000 . 2.700 2.279 2.279 2.279 . 0 0 "[ ]" 1 249 1 45 TYR HD2 1 46 VAL H 0.000 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1 250 1 45 TYR HD2 1 52 ILE HB 0.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1 251 1 45 TYR HD2 1 52 ILE MG 0.000 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1 252 1 45 TYR QE 1 52 ILE HB 0.000 . 5.000 5.584 5.584 5.584 0.584 1 1 [+] 1 253 1 45 TYR QE 1 52 ILE MG 0.000 . 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1 254 1 45 TYR QE 1 54 LYS QB 0.000 . 5.800 4.429 4.429 4.429 . 0 0 "[ ]" 1 255 1 45 TYR QE 1 54 LYS QD 0.000 . 5.800 2.993 2.993 2.993 . 0 0 "[ ]" 1 256 1 45 TYR QE 1 54 LYS HG2 0.000 . 3.200 2.590 2.590 2.590 . 0 0 "[ ]" 1 257 1 45 TYR QE 1 54 LYS HG3 0.000 . 3.200 3.326 3.326 3.326 0.126 1 0 "[ ]" 1 258 1 46 VAL H 1 46 VAL HA 2.700 2.700 7.700 2.995 2.995 2.995 . 0 0 "[ ]" 1 259 1 46 VAL H 1 46 VAL HB 0.000 . 3.200 2.629 2.629 2.629 . 0 0 "[ ]" 1 260 1 46 VAL H 1 47 ASP H 3.200 3.200 8.200 4.218 4.218 4.218 . 0 0 "[ ]" 1 261 1 46 VAL HA 1 47 ASP H 0.000 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1 262 1 46 VAL HA 1 52 ILE H 0.000 . 4.000 3.352 3.352 3.352 . 0 0 "[ ]" 1 263 1 46 VAL HB 1 47 ASP H 0.000 . 4.000 4.349 4.349 4.349 0.349 1 0 "[ ]" 1 264 1 46 VAL HB 1 47 ASP HA 0.000 . 4.000 4.778 4.778 4.778 0.778 1 1 [+] 1 265 1 46 VAL MG1 1 47 ASP HA 0.000 . 4.000 3.361 3.361 3.361 . 0 0 "[ ]" 1 266 1 46 VAL MG2 1 51 ILE HA 0.000 . 4.000 3.344 3.344 3.344 . 0 0 "[ ]" 1 267 1 47 ASP H 1 47 ASP HA 2.700 2.700 7.700 2.967 2.967 2.967 . 0 0 "[ ]" 1 268 1 47 ASP H 1 48 ASP H 3.200 3.200 8.200 4.354 4.354 4.354 . 0 0 "[ ]" 1 269 1 47 ASP H 1 50 LYS H 0.000 . 4.000 3.141 3.141 3.141 . 0 0 "[ ]" 1 270 1 47 ASP H 1 51 ILE HA 0.000 . 4.000 3.507 3.507 3.507 . 0 0 "[ ]" 1 271 1 47 ASP HA 1 48 ASP H 0.000 . 2.700 2.292 2.292 2.292 . 0 0 "[ ]" 1 272 1 47 ASP QB 1 48 ASP H 0.000 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1 273 1 48 ASP H 1 48 ASP HA 0.000 . 2.700 2.378 2.378 2.378 . 0 0 "[ ]" 1 274 1 48 ASP H 1 48 ASP HB2 0.000 . 3.200 2.874 2.874 2.874 . 0 0 "[ ]" 1 275 1 48 ASP H 1 48 ASP HB3 0.000 . 3.200 3.300 3.300 3.300 0.100 1 0 "[ ]" 1 276 1 48 ASP HA 1 49 GLU H 2.700 2.700 7.700 2.820 2.820 2.820 . 0 0 "[ ]" 1 277 1 48 ASP HB2 1 49 GLU H 0.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1 278 1 48 ASP HB3 1 49 GLU H 0.000 . 4.000 4.246 4.246 4.246 0.246 1 0 "[ ]" 1 279 1 49 GLU H 1 49 GLU HA 2.700 2.700 7.700 2.362 2.362 2.362 0.338 1 0 "[ ]" 1 280 1 49 GLU H 1 50 LYS H 0.000 . 2.700 2.773 2.773 2.773 0.073 1 0 "[ ]" 1 281 1 49 GLU HA 1 50 LYS H 2.700 2.700 7.700 3.168 3.168 3.168 . 0 0 "[ ]" 1 282 1 50 LYS H 1 50 LYS HA 2.700 2.700 7.700 2.998 2.998 2.998 . 0 0 "[ ]" 1 283 1 50 LYS H 1 51 ILE H 3.200 3.200 8.200 4.493 4.493 4.493 . 0 0 "[ ]" 1 284 1 50 LYS HA 1 51 ILE H 0.000 . 2.700 2.306 2.306 2.306 . 0 0 "[ ]" 1 285 1 51 ILE H 1 51 ILE HA 2.700 2.700 7.700 2.978 2.978 2.978 . 0 0 "[ ]" 1 286 1 51 ILE H 1 51 ILE HB 0.000 . 3.200 2.429 2.429 2.429 . 0 0 "[ ]" 1 287 1 51 ILE H 1 51 ILE MD 0.000 . 4.000 3.366 3.366 3.366 . 0 0 "[ ]" 1 288 1 51 ILE H 1 52 ILE H 3.200 3.200 8.200 4.516 4.516 4.516 . 0 0 "[ ]" 1 289 1 51 ILE HA 1 52 ILE H 0.000 . 2.700 2.220 2.220 2.220 . 0 0 "[ ]" 1 290 1 52 ILE H 1 52 ILE HA 2.700 2.700 7.700 2.996 2.996 2.996 . 0 0 "[ ]" 1 291 1 52 ILE H 1 52 ILE HB 0.000 . 3.200 2.316 2.316 2.316 . 0 0 "[ ]" 1 292 1 52 ILE H 1 52 ILE MD 0.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1 293 1 52 ILE H 1 53 LEU H 3.200 3.200 8.200 4.309 4.309 4.309 . 0 0 "[ ]" 1 294 1 52 ILE HA 1 53 LEU H 0.000 . 2.700 2.216 2.216 2.216 . 0 0 "[ ]" 1 295 1 52 ILE MG 1 53 LEU H 0.000 . 4.000 2.911 2.911 2.911 . 0 0 "[ ]" 1 296 1 53 LEU H 1 53 LEU HA 2.700 2.700 7.700 2.996 2.996 2.996 . 0 0 "[ ]" 1 297 1 53 LEU H 1 53 LEU HB2 0.000 . 3.200 2.463 2.463 2.463 . 0 0 "[ ]" 1 298 1 53 LEU H 1 53 LEU HB3 0.000 . 4.000 3.661 3.661 3.661 . 0 0 "[ ]" 1 299 1 53 LEU H 1 54 LYS H 3.200 3.200 8.200 4.479 4.479 4.479 . 0 0 "[ ]" 1 300 1 53 LEU HA 1 54 LYS H 0.000 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1 301 1 53 LEU HB2 1 54 LYS H 0.000 . 4.000 4.145 4.145 4.145 0.145 1 0 "[ ]" 1 302 1 53 LEU HB3 1 54 LYS H 0.000 . 4.000 3.316 3.316 3.316 . 0 0 "[ ]" 1 303 1 53 LEU HG 1 54 LYS H 0.000 . 4.000 4.440 4.440 4.440 0.440 1 0 "[ ]" 1 304 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.983 2.983 2.983 . 0 0 "[ ]" 1 305 1 54 LYS H 1 55 LYS H 3.200 3.200 8.200 4.464 4.464 4.464 . 0 0 "[ ]" 1 306 1 54 LYS HA 1 55 LYS H 0.000 . 2.700 2.462 2.462 2.462 . 0 0 "[ ]" 1 307 1 54 LYS QB 1 55 LYS H 0.000 . 4.800 2.581 2.581 2.581 . 0 0 "[ ]" 1 308 1 54 LYS QG 1 55 LYS H 0.000 . 4.800 3.409 3.409 3.409 . 0 0 "[ ]" 1 309 1 55 LYS H 1 55 LYS HA 2.700 2.700 7.700 2.836 2.836 2.836 . 0 0 "[ ]" 1 310 1 55 LYS H 1 55 LYS HB2 0.000 . 2.700 2.380 2.380 2.380 . 0 0 "[ ]" 1 311 1 55 LYS H 1 55 LYS HB3 0.000 . 2.700 2.507 2.507 2.507 . 0 0 "[ ]" 1 312 1 55 LYS H 1 56 TYR H 3.200 3.200 8.200 4.672 4.672 4.672 . 0 0 "[ ]" 1 313 1 55 LYS HA 1 56 TYR H 0.000 . 2.700 2.280 2.280 2.280 . 0 0 "[ ]" 1 314 1 55 LYS HB2 1 56 TYR H 0.000 . 4.000 4.126 4.126 4.126 0.126 1 0 "[ ]" 1 315 1 55 LYS HB3 1 56 TYR H 0.000 . 4.000 3.947 3.947 3.947 . 0 0 "[ ]" 1 316 1 56 TYR H 1 56 TYR HA 2.700 2.700 7.700 2.977 2.977 2.977 . 0 0 "[ ]" 1 317 1 56 TYR H 1 56 TYR QB 0.000 . 3.200 2.238 2.238 2.238 . 0 0 "[ ]" 1 318 1 56 TYR H 1 57 LYS H 3.200 3.200 8.200 4.475 4.475 4.475 . 0 0 "[ ]" 1 319 1 56 TYR H 1 58 PRO HD3 2.700 2.700 7.700 5.857 5.857 5.857 . 0 0 "[ ]" 1 320 1 56 TYR HA 1 56 TYR QD 0.000 . 2.700 1.871 1.871 1.871 . 0 0 "[ ]" 1 321 1 56 TYR HA 1 57 LYS H 0.000 . 2.700 2.191 2.191 2.191 . 0 0 "[ ]" 1 322 1 56 TYR QE 1 58 PRO HA 0.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1 323 1 57 LYS H 1 57 LYS HA 2.700 2.700 7.700 2.989 2.989 2.989 . 0 0 "[ ]" 1 324 1 58 PRO HA 1 59 ASN H 0.000 . 2.700 2.277 2.277 2.277 . 0 0 "[ ]" 1 325 1 59 ASN H 1 59 ASN HA 2.700 2.700 7.700 3.003 3.003 3.003 . 0 0 "[ ]" 1 stop_ save_
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