NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
411315 | 2ap7 | 6774 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ap7 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 160 _Distance_constraint_stats_list.Viol_count 768 _Distance_constraint_stats_list.Viol_total 1254.446 _Distance_constraint_stats_list.Viol_max 0.318 _Distance_constraint_stats_list.Viol_rms 0.0458 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0196 _Distance_constraint_stats_list.Viol_average_violations_only 0.0817 _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 ILE 0.048 0.044 11 0 "[ . 1 . 2]" 1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 GLY 0.119 0.044 11 0 "[ . 1 . 2]" 1 4 PRO 2.524 0.172 16 0 "[ . 1 . 2]" 1 5 VAL 3.729 0.172 16 0 "[ . 1 . 2]" 1 6 LEU 1.545 0.091 5 0 "[ . 1 . 2]" 1 7 GLY 4.360 0.205 19 0 "[ . 1 . 2]" 1 8 LEU 7.616 0.247 13 0 "[ . 1 . 2]" 1 9 VAL 1.920 0.093 18 0 "[ . 1 . 2]" 1 10 GLY 1.731 0.089 7 0 "[ . 1 . 2]" 1 11 SER 5.038 0.135 13 0 "[ . 1 . 2]" 1 12 ALA 6.062 0.202 18 0 "[ . 1 . 2]" 1 13 LEU 11.007 0.207 2 0 "[ . 1 . 2]" 1 14 GLY 3.936 0.192 18 0 "[ . 1 . 2]" 1 15 GLY 3.180 0.192 18 0 "[ . 1 . 2]" 1 16 LEU 5.302 0.237 17 0 "[ . 1 . 2]" 1 17 LEU 15.639 0.274 2 0 "[ . 1 . 2]" 1 18 LYS 13.235 0.215 5 0 "[ . 1 . 2]" 1 19 LYS 13.914 0.318 2 0 "[ . 1 . 2]" 1 20 ILE 5.790 0.167 2 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 ILE HB 1 3 GLY H 4.647 . 4.647 3.939 2.897 4.691 0.044 11 0 "[ . 1 . 2]" 1 2 1 1 ILE QG 1 3 GLY H 5.264 . 5.264 3.321 1.829 4.630 . 0 0 "[ . 1 . 2]" 1 3 1 2 ILE H 1 2 ILE MD 4.326 . 4.326 3.439 2.051 4.235 . 0 0 "[ . 1 . 2]" 1 4 1 2 ILE H 1 2 ILE QG 3.290 . 3.290 2.287 1.889 3.219 . 0 0 "[ . 1 . 2]" 1 5 1 2 ILE H 1 3 GLY H 4.329 . 4.329 3.027 1.950 4.134 . 0 0 "[ . 1 . 2]" 1 6 1 3 GLY H 1 3 GLY QA 2.601 . 2.601 2.376 2.196 2.501 . 0 0 "[ . 1 . 2]" 1 7 1 3 GLY H 1 4 PRO HA 5.626 . 5.626 4.768 4.173 5.519 . 0 0 "[ . 1 . 2]" 1 8 1 3 GLY H 1 4 PRO QD . . 3.592 2.769 1.906 3.628 0.036 19 0 "[ . 1 . 2]" 1 9 1 3 GLY H 1 5 VAL H 5.387 . 5.387 4.518 2.602 5.349 . 0 0 "[ . 1 . 2]" 1 10 1 3 GLY QA 1 4 PRO QD . . 2.976 2.108 1.830 2.554 . 0 0 "[ . 1 . 2]" 1 11 1 3 GLY QA 1 5 VAL HB 4.791 . 4.791 4.258 3.974 4.809 0.018 15 0 "[ . 1 . 2]" 1 12 1 3 GLY QA 1 6 LEU H 5.101 . 5.101 4.007 3.438 4.772 . 0 0 "[ . 1 . 2]" 1 13 1 4 PRO HA 1 4 PRO QD . . 3.484 3.415 3.277 3.458 . 0 0 "[ . 1 . 2]" 1 14 1 4 PRO HA 1 4 PRO QG 2.964 . 2.964 2.964 2.823 3.018 0.054 4 0 "[ . 1 . 2]" 1 15 1 4 PRO HA 1 5 VAL H 3.297 . 3.297 3.403 3.269 3.469 0.172 16 0 "[ . 1 . 2]" 1 16 1 4 PRO HA 1 6 LEU H 4.699 . 4.699 4.494 4.240 4.719 0.020 11 0 "[ . 1 . 2]" 1 17 1 4 PRO HA 1 7 GLY H 3.966 . 3.966 3.332 3.093 3.536 . 0 0 "[ . 1 . 2]" 1 18 1 4 PRO HA 1 7 GLY QA 4.017 . 4.017 3.658 3.256 4.020 0.003 7 0 "[ . 1 . 2]" 1 19 1 4 PRO HA 1 8 LEU H 5.381 . 5.381 4.488 3.917 4.993 . 0 0 "[ . 1 . 2]" 1 20 1 4 PRO QB 1 4 PRO QD . . 2.852 2.747 2.725 2.789 . 0 0 "[ . 1 . 2]" 1 21 1 4 PRO QB 1 5 VAL H 4.161 . 4.161 3.170 2.801 3.588 . 0 0 "[ . 1 . 2]" 1 22 1 4 PRO QB 1 7 GLY H 5.553 . 5.553 4.488 4.132 4.767 . 0 0 "[ . 1 . 2]" 1 23 1 4 PRO QD 1 5 VAL H 4.016 . 4.016 2.783 2.659 3.031 . 0 0 "[ . 1 . 2]" 1 24 1 5 VAL H 1 5 VAL HB 2.752 . 2.752 2.701 2.620 2.760 0.008 3 0 "[ . 1 . 2]" 1 25 1 5 VAL H 1 5 VAL QG 2.941 . 2.941 1.995 1.900 2.071 . 0 0 "[ . 1 . 2]" 1 26 1 5 VAL H 1 6 LEU H 3.063 . 3.063 2.885 2.749 2.950 . 0 0 "[ . 1 . 2]" 1 27 1 5 VAL HA 1 5 VAL QG . . 3.064 2.093 2.044 2.182 . 0 0 "[ . 1 . 2]" 1 28 1 5 VAL HA 1 6 LEU H 3.849 . 3.849 3.566 3.560 3.573 . 0 0 "[ . 1 . 2]" 1 29 1 5 VAL HA 1 8 LEU H 3.330 . 3.330 3.281 3.118 3.361 0.031 5 0 "[ . 1 . 2]" 1 30 1 5 VAL HA 1 8 LEU QB 3.723 . 3.723 3.309 2.717 3.874 0.151 20 0 "[ . 1 . 2]" 1 31 1 5 VAL HA 1 8 LEU HG 3.809 . 3.809 2.519 1.899 3.815 0.006 8 0 "[ . 1 . 2]" 1 32 1 5 VAL HA 1 9 VAL H 6.000 . 6.000 3.994 3.376 4.453 . 0 0 "[ . 1 . 2]" 1 33 1 5 VAL HB 1 6 LEU H 3.266 . 3.266 2.230 2.207 2.285 . 0 0 "[ . 1 . 2]" 1 34 1 5 VAL HB 1 7 GLY H 4.516 . 4.516 4.557 4.540 4.585 0.069 7 0 "[ . 1 . 2]" 1 35 1 6 LEU H 1 6 LEU HA 2.716 . 2.716 2.769 2.733 2.807 0.091 5 0 "[ . 1 . 2]" 1 36 1 6 LEU H 1 6 LEU QB 2.635 . 2.635 2.348 2.092 2.586 . 0 0 "[ . 1 . 2]" 1 37 1 6 LEU H 1 6 LEU QD . . 3.952 2.955 2.129 3.410 . 0 0 "[ . 1 . 2]" 1 38 1 6 LEU H 1 6 LEU HG 3.182 . 3.182 2.585 1.964 3.175 . 0 0 "[ . 1 . 2]" 1 39 1 6 LEU H 1 7 GLY H 3.320 . 3.320 2.706 2.567 2.823 . 0 0 "[ . 1 . 2]" 1 40 1 6 LEU H 1 8 LEU H 5.502 . 5.502 4.177 4.007 4.270 . 0 0 "[ . 1 . 2]" 1 41 1 6 LEU HA 1 8 LEU H 4.672 . 4.672 4.239 3.991 4.572 . 0 0 "[ . 1 . 2]" 1 42 1 6 LEU HA 1 9 VAL HB 3.255 . 3.255 3.062 2.782 3.221 . 0 0 "[ . 1 . 2]" 1 43 1 6 LEU HA 1 10 GLY H 3.944 . 3.944 3.940 3.720 3.993 0.049 8 0 "[ . 1 . 2]" 1 44 1 6 LEU QB 1 7 GLY H . . 3.800 3.095 2.835 3.603 . 0 0 "[ . 1 . 2]" 1 45 1 7 GLY H 1 7 GLY QA . . 2.747 2.221 2.212 2.228 . 0 0 "[ . 1 . 2]" 1 46 1 7 GLY H 1 8 LEU H 3.198 . 3.198 2.408 2.369 2.450 . 0 0 "[ . 1 . 2]" 1 47 1 7 GLY H 1 8 LEU HA 4.867 . 4.867 5.032 4.991 5.072 0.205 19 0 "[ . 1 . 2]" 1 48 1 7 GLY H 1 9 VAL H 4.178 . 4.178 4.113 3.963 4.227 0.049 14 0 "[ . 1 . 2]" 1 49 1 7 GLY H 1 10 GLY H 5.376 . 5.376 4.611 4.422 4.738 . 0 0 "[ . 1 . 2]" 1 50 1 7 GLY QA 1 8 LEU H 3.405 . 3.405 2.782 2.712 2.829 . 0 0 "[ . 1 . 2]" 1 51 1 7 GLY QA 1 10 GLY H 4.875 . 4.875 3.531 3.354 3.707 . 0 0 "[ . 1 . 2]" 1 52 1 7 GLY QA 1 11 SER H 4.742 . 4.742 4.368 3.998 4.754 0.012 7 0 "[ . 1 . 2]" 1 53 1 8 LEU H 1 8 LEU QB 2.937 . 2.937 2.556 2.128 2.784 . 0 0 "[ . 1 . 2]" 1 54 1 8 LEU H 1 8 LEU HG 3.391 . 3.391 2.245 1.789 3.413 0.022 8 0 "[ . 1 . 2]" 1 55 1 8 LEU H 1 9 VAL H 3.230 . 3.230 2.525 2.483 2.584 . 0 0 "[ . 1 . 2]" 1 56 1 8 LEU H 1 9 VAL HA 6.000 . 6.000 5.154 5.121 5.196 . 0 0 "[ . 1 . 2]" 1 57 1 8 LEU H 1 9 VAL HB 4.778 . 4.778 4.787 4.750 4.805 0.027 1 0 "[ . 1 . 2]" 1 58 1 8 LEU H 1 9 VAL QG 6.000 . 6.000 3.890 3.725 4.019 . 0 0 "[ . 1 . 2]" 1 59 1 8 LEU H 1 10 GLY H 5.117 . 5.117 3.805 3.625 4.031 . 0 0 "[ . 1 . 2]" 1 60 1 8 LEU HA 1 8 LEU HG 3.364 . 3.364 3.419 3.180 3.611 0.247 13 0 "[ . 1 . 2]" 1 61 1 8 LEU HA 1 10 GLY H 5.399 . 5.399 4.244 4.048 4.433 . 0 0 "[ . 1 . 2]" 1 62 1 8 LEU HA 1 11 SER H 3.319 . 3.319 3.385 3.346 3.438 0.119 18 0 "[ . 1 . 2]" 1 63 1 8 LEU QB 1 9 VAL H 3.705 . 3.705 2.805 2.376 3.445 . 0 0 "[ . 1 . 2]" 1 64 1 8 LEU HG 1 9 VAL H 3.865 . 3.865 3.097 1.892 3.894 0.029 2 0 "[ . 1 . 2]" 1 65 1 9 VAL H 1 9 VAL HA 3.079 . 3.079 2.817 2.778 2.854 . 0 0 "[ . 1 . 2]" 1 66 1 9 VAL H 1 9 VAL HB 2.831 . 2.831 2.619 2.549 2.697 . 0 0 "[ . 1 . 2]" 1 67 1 9 VAL H 1 9 VAL QG 3.122 . 3.122 2.106 1.942 2.246 . 0 0 "[ . 1 . 2]" 1 68 1 9 VAL H 1 10 GLY H 3.213 . 3.213 2.609 2.449 2.754 . 0 0 "[ . 1 . 2]" 1 69 1 9 VAL HA 1 9 VAL QG . . 3.054 2.074 2.042 2.102 . 0 0 "[ . 1 . 2]" 1 70 1 9 VAL HA 1 12 ALA H 3.999 . 3.999 3.244 3.166 3.344 . 0 0 "[ . 1 . 2]" 1 71 1 9 VAL HA 1 12 ALA MB 3.594 . 3.594 2.773 2.483 3.183 . 0 0 "[ . 1 . 2]" 1 72 1 9 VAL HA 1 13 LEU H 4.431 . 4.431 4.133 3.914 4.368 . 0 0 "[ . 1 . 2]" 1 73 1 9 VAL HB 1 10 GLY H 3.285 . 3.285 2.707 2.583 2.849 . 0 0 "[ . 1 . 2]" 1 74 1 9 VAL QG 1 10 GLY H 5.680 . 5.680 3.318 3.253 3.370 . 0 0 "[ . 1 . 2]" 1 75 1 9 VAL QG 1 12 ALA HA 5.447 . 5.447 5.514 5.467 5.540 0.093 18 0 "[ . 1 . 2]" 1 76 1 9 VAL QG 1 13 LEU H 5.913 . 5.913 3.883 3.466 4.111 . 0 0 "[ . 1 . 2]" 1 77 1 10 GLY H 1 11 SER H 3.126 . 3.126 2.590 2.555 2.632 . 0 0 "[ . 1 . 2]" 1 78 1 10 GLY H 1 11 SER HA 5.141 . 5.141 5.204 5.179 5.230 0.089 7 0 "[ . 1 . 2]" 1 79 1 10 GLY H 1 13 LEU H 4.744 . 4.744 4.604 4.508 4.700 . 0 0 "[ . 1 . 2]" 1 80 1 10 GLY QA 1 13 LEU H 4.147 . 4.147 3.330 3.239 3.470 . 0 0 "[ . 1 . 2]" 1 81 1 10 GLY QA 1 13 LEU QB 3.597 . 3.597 2.005 1.816 2.215 . 0 0 "[ . 1 . 2]" 1 82 1 11 SER H 1 11 SER HA 2.891 . 2.891 2.864 2.828 2.885 . 0 0 "[ . 1 . 2]" 1 83 1 11 SER H 1 11 SER QB 2.462 . 2.462 2.231 2.087 2.429 . 0 0 "[ . 1 . 2]" 1 84 1 11 SER H 1 13 LEU QB 3.951 . 3.951 4.045 4.013 4.086 0.135 13 0 "[ . 1 . 2]" 1 85 1 11 SER HA 1 14 GLY H 3.611 . 3.611 3.619 3.425 3.686 0.075 3 0 "[ . 1 . 2]" 1 86 1 12 ALA H 1 12 ALA HA 2.807 . 2.807 2.845 2.836 2.853 0.046 3 0 "[ . 1 . 2]" 1 87 1 12 ALA H 1 12 ALA MB 2.916 . 2.916 2.146 2.054 2.257 . 0 0 "[ . 1 . 2]" 1 88 1 12 ALA H 1 13 LEU H 2.912 . 2.912 2.419 2.350 2.479 . 0 0 "[ . 1 . 2]" 1 89 1 12 ALA H 1 13 LEU QB 4.021 . 4.021 4.064 4.018 4.090 0.069 19 0 "[ . 1 . 2]" 1 90 1 12 ALA HA 1 13 LEU H 3.181 . 3.181 3.336 3.301 3.383 0.202 18 0 "[ . 1 . 2]" 1 91 1 12 ALA HA 1 16 LEU H 5.591 . 5.591 4.023 3.421 4.595 . 0 0 "[ . 1 . 2]" 1 92 1 13 LEU H 1 13 LEU HA 2.928 . 2.928 2.841 2.820 2.851 . 0 0 "[ . 1 . 2]" 1 93 1 13 LEU H 1 13 LEU QB . . 2.479 2.071 2.041 2.099 . 0 0 "[ . 1 . 2]" 1 94 1 13 LEU H 1 13 LEU HG 3.092 . 3.092 3.127 3.083 3.171 0.079 9 0 "[ . 1 . 2]" 1 95 1 13 LEU HA 1 13 LEU QB . . 2.292 2.404 2.149 2.499 0.207 2 0 "[ . 1 . 2]" 1 96 1 13 LEU HA 1 16 LEU H 3.621 . 3.621 3.673 3.564 3.731 0.110 13 0 "[ . 1 . 2]" 1 97 1 13 LEU HA 1 17 LEU H 4.435 . 4.435 4.426 4.257 4.501 0.066 3 0 "[ . 1 . 2]" 1 98 1 13 LEU QB 1 16 LEU H 6.000 . 6.000 5.118 4.977 5.264 . 0 0 "[ . 1 . 2]" 1 99 1 14 GLY H 1 14 GLY QA . . 2.516 2.249 2.235 2.256 . 0 0 "[ . 1 . 2]" 1 100 1 14 GLY H 1 15 GLY H 3.489 . 3.489 2.221 2.186 2.292 . 0 0 "[ . 1 . 2]" 1 101 1 14 GLY H 1 15 GLY QA 3.995 . 3.995 4.150 4.124 4.187 0.192 18 0 "[ . 1 . 2]" 1 102 1 14 GLY H 1 16 LEU H 4.852 . 4.852 3.973 3.767 4.339 . 0 0 "[ . 1 . 2]" 1 103 1 14 GLY QA 1 15 GLY H 3.524 . 3.524 2.802 2.761 2.834 . 0 0 "[ . 1 . 2]" 1 104 1 14 GLY QA 1 16 LEU H 6.000 . 6.000 4.056 3.913 4.240 . 0 0 "[ . 1 . 2]" 1 105 1 14 GLY QA 1 17 LEU H 4.423 . 4.423 3.306 3.118 3.453 . 0 0 "[ . 1 . 2]" 1 106 1 14 GLY QA 1 17 LEU HG 4.159 . 4.159 3.803 2.276 4.265 0.106 16 0 "[ . 1 . 2]" 1 107 1 14 GLY QA 1 18 LYS H 6.000 . 6.000 4.340 3.980 4.723 . 0 0 "[ . 1 . 2]" 1 108 1 15 GLY H 1 15 GLY QA 2.248 . 2.248 2.201 2.188 2.207 . 0 0 "[ . 1 . 2]" 1 109 1 15 GLY H 1 16 LEU H 3.178 . 3.178 2.525 2.458 2.677 . 0 0 "[ . 1 . 2]" 1 110 1 15 GLY H 1 18 LYS H 6.000 . 6.000 4.860 4.633 5.134 . 0 0 "[ . 1 . 2]" 1 111 1 15 GLY QA 1 16 LEU H 3.202 . 3.202 2.734 2.640 2.796 . 0 0 "[ . 1 . 2]" 1 112 1 15 GLY QA 1 18 LYS H 4.272 . 4.272 3.470 3.322 3.592 . 0 0 "[ . 1 . 2]" 1 113 1 15 GLY QA 1 18 LYS QB 3.556 . 3.556 2.897 2.556 3.627 0.071 5 0 "[ . 1 . 2]" 1 114 1 16 LEU H 1 16 LEU HA 2.968 . 2.968 2.871 2.864 2.879 . 0 0 "[ . 1 . 2]" 1 115 1 16 LEU H 1 16 LEU QB 2.542 . 2.542 2.210 2.054 2.445 . 0 0 "[ . 1 . 2]" 1 116 1 16 LEU H 1 17 LEU H 3.228 . 3.228 2.334 2.307 2.366 . 0 0 "[ . 1 . 2]" 1 117 1 16 LEU H 1 17 LEU HA 4.748 . 4.748 4.929 4.892 4.985 0.237 17 0 "[ . 1 . 2]" 1 118 1 16 LEU H 1 18 LYS H 4.643 . 4.643 3.961 3.818 4.106 . 0 0 "[ . 1 . 2]" 1 119 1 16 LEU HA 1 16 LEU QB 2.682 . 2.682 2.445 2.335 2.543 . 0 0 "[ . 1 . 2]" 1 120 1 16 LEU HA 1 17 LEU H 3.698 . 3.698 3.396 3.355 3.458 . 0 0 "[ . 1 . 2]" 1 121 1 16 LEU HA 1 18 LYS H 4.135 . 4.135 3.843 3.733 3.956 . 0 0 "[ . 1 . 2]" 1 122 1 16 LEU HA 1 19 LYS H 4.127 . 4.127 3.893 3.762 4.044 . 0 0 "[ . 1 . 2]" 1 123 1 16 LEU QB 1 17 LEU H 2.957 . 2.957 2.970 2.788 3.053 0.096 19 0 "[ . 1 . 2]" 1 124 1 17 LEU H 1 17 LEU HA 2.947 . 2.947 2.827 2.820 2.830 . 0 0 "[ . 1 . 2]" 1 125 1 17 LEU H 1 17 LEU QB 2.358 . 2.358 2.182 2.054 2.377 0.019 17 0 "[ . 1 . 2]" 1 126 1 17 LEU H 1 18 LYS H 3.204 . 3.204 2.402 2.371 2.451 . 0 0 "[ . 1 . 2]" 1 127 1 17 LEU H 1 18 LYS HA 4.725 . 4.725 4.907 4.877 4.940 0.215 5 0 "[ . 1 . 2]" 1 128 1 17 LEU H 1 19 LYS H 4.407 . 4.407 4.552 4.521 4.681 0.274 2 0 "[ . 1 . 2]" 1 129 1 17 LEU H 1 20 ILE HB 4.165 . 4.165 4.219 4.198 4.246 0.081 18 0 "[ . 1 . 2]" 1 130 1 17 LEU HA 1 17 LEU QB 2.345 . 2.345 2.382 2.150 2.510 0.165 2 0 "[ . 1 . 2]" 1 131 1 17 LEU HA 1 18 LYS H 3.329 . 3.329 3.418 3.405 3.433 0.104 5 0 "[ . 1 . 2]" 1 132 1 18 LYS H 1 18 LYS HA 2.883 . 2.883 2.760 2.739 2.770 . 0 0 "[ . 1 . 2]" 1 133 1 18 LYS H 1 18 LYS QB . . 2.633 2.068 2.012 2.597 . 0 0 "[ . 1 . 2]" 1 134 1 18 LYS H 1 18 LYS QD 3.807 . 3.807 3.499 3.314 3.962 0.155 5 0 "[ . 1 . 2]" 1 135 1 18 LYS H 1 18 LYS QG 3.351 . 3.351 3.421 1.957 3.560 0.209 1 0 "[ . 1 . 2]" 1 136 1 18 LYS HA 1 18 LYS QB 2.543 . 2.543 2.141 2.137 2.161 . 0 0 "[ . 1 . 2]" 1 137 1 18 LYS HA 1 18 LYS QE 5.997 . 5.997 4.586 4.505 4.891 . 0 0 "[ . 1 . 2]" 1 138 1 18 LYS HA 1 18 LYS QG 3.231 . 3.231 3.183 3.130 3.308 0.077 5 0 "[ . 1 . 2]" 1 139 1 18 LYS HA 1 19 LYS H 3.608 . 3.608 3.562 3.552 3.591 . 0 0 "[ . 1 . 2]" 1 140 1 18 LYS HA 1 19 LYS QE 5.088 . 5.088 5.178 5.127 5.235 0.147 19 0 "[ . 1 . 2]" 1 141 1 18 LYS QE 1 19 LYS QE 2.200 . 2.200 1.806 1.755 2.168 0.045 16 0 "[ . 1 . 2]" 1 142 1 18 LYS QE 1 20 ILE H 3.903 . 3.903 4.010 3.976 4.070 0.167 2 0 "[ . 1 . 2]" 1 143 1 18 LYS QE 1 20 ILE HB 5.514 . 5.514 5.528 5.450 5.569 0.055 5 0 "[ . 1 . 2]" 1 144 1 19 LYS H 1 19 LYS HA 2.892 . 2.892 2.912 2.907 2.921 0.029 5 0 "[ . 1 . 2]" 1 145 1 19 LYS H 1 19 LYS QB 2.521 . 2.521 2.352 2.306 2.633 0.112 2 0 "[ . 1 . 2]" 1 146 1 19 LYS H 1 19 LYS QD 3.145 . 3.145 2.216 1.965 2.364 . 0 0 "[ . 1 . 2]" 1 147 1 19 LYS H 1 19 LYS QG . . 3.410 3.535 3.071 3.590 0.180 13 0 "[ . 1 . 2]" 1 148 1 19 LYS HA 1 19 LYS QB 2.773 . 2.773 2.145 2.141 2.148 . 0 0 "[ . 1 . 2]" 1 149 1 19 LYS HA 1 19 LYS QD 3.374 . 3.374 3.512 3.419 3.692 0.318 2 0 "[ . 1 . 2]" 1 150 1 19 LYS HA 1 19 LYS QE 6.000 . 6.000 4.314 4.147 4.547 . 0 0 "[ . 1 . 2]" 1 151 1 19 LYS HA 1 19 LYS QG 3.324 . 3.324 3.353 3.325 3.419 0.095 5 0 "[ . 1 . 2]" 1 152 1 19 LYS QE 1 20 ILE H 3.310 . 3.310 3.195 2.049 3.322 0.012 6 0 "[ . 1 . 2]" 1 153 1 19 LYS QE 1 20 ILE HA 4.403 . 4.403 4.424 2.992 4.526 0.123 15 0 "[ . 1 . 2]" 1 154 1 19 LYS QE 1 20 ILE HB 4.149 . 4.149 4.095 3.096 4.210 0.061 14 0 "[ . 1 . 2]" 1 155 1 20 ILE H 1 20 ILE HA 2.873 . 2.873 2.729 2.637 2.758 . 0 0 "[ . 1 . 2]" 1 156 1 20 ILE H 1 20 ILE HB 2.758 . 2.758 2.249 2.175 2.298 . 0 0 "[ . 1 . 2]" 1 157 1 20 ILE H 1 20 ILE MD . . 4.818 4.018 3.610 4.352 . 0 0 "[ . 1 . 2]" 1 158 1 20 ILE H 1 20 ILE QG 3.671 . 3.671 2.657 2.601 2.805 . 0 0 "[ . 1 . 2]" 1 159 1 20 ILE HA 1 20 ILE HB 2.715 . 2.715 2.584 2.559 2.630 . 0 0 "[ . 1 . 2]" 1 160 1 20 ILE HA 1 20 ILE QG 2.507 . 2.507 2.158 2.001 2.495 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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