NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
518634 | 2lag | 16677 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lag 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 4 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 3.389 _Distance_constraint_stats_list.Viol_max 0.089 _Distance_constraint_stats_list.Viol_rms 0.0210 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0085 _Distance_constraint_stats_list.Viol_average_violations_only 0.0377 _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 48 LYS 0.339 0.089 3 0 "[ . 1]" 2 35 ASP 0.339 0.089 3 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 48 LYS QB 2 35 ASP H 3.000 . 5.000 5.000 4.772 5.068 0.068 8 0 "[ . 1]" 1 2 1 48 LYS QG 2 35 ASP H 3.000 . 5.000 3.878 3.484 4.868 . 0 0 "[ . 1]" 1 3 1 48 LYS QD 2 35 ASP H 3.000 . 5.000 4.544 3.668 4.867 . 0 0 "[ . 1]" 1 4 1 48 LYS QE 2 35 ASP H 3.000 . 5.000 4.716 4.593 5.089 0.089 3 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 4 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 46 MET 0.000 0.000 . 0 "[ . 1]" 1 48 LYS 0.000 0.000 . 0 "[ . 1]" 1 76 HIS 0.000 0.000 . 0 "[ . 1]" 1 77 GLU 0.000 0.000 . 0 "[ . 1]" 2 35 ASP 0.000 0.000 . 0 "[ . 1]" 2 144 ARG 0.000 0.000 . 0 "[ . 1]" 2 149 ARG 0.000 0.000 . 0 "[ . 1]" 2 152 SER 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 48 LYS NZ 2 35 ASP OD1 6.000 . 7.000 2.612 2.585 2.649 . 0 0 "[ . 1]" 2 2 1 77 GLU OE1 2 149 ARG NH1 6.000 . 7.000 2.639 2.481 3.059 . 0 0 "[ . 1]" 2 3 1 76 HIS ND1 2 152 SER OG 6.000 . 7.000 4.288 3.927 4.744 . 0 0 "[ . 1]" 2 4 1 46 MET ME 2 144 ARG QD 3.000 . 5.000 4.247 3.818 4.779 . 0 0 "[ . 1]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 76 _Distance_constraint_stats_list.Viol_count 100 _Distance_constraint_stats_list.Viol_total 54.597 _Distance_constraint_stats_list.Viol_max 0.146 _Distance_constraint_stats_list.Viol_rms 0.0222 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0072 _Distance_constraint_stats_list.Viol_average_violations_only 0.0546 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 44 THR 0.174 0.092 7 0 "[ . 1]" 1 46 MET 0.042 0.042 8 0 "[ . 1]" 1 48 LYS 0.213 0.063 1 0 "[ . 1]" 1 49 PRO 0.112 0.042 8 0 "[ . 1]" 1 50 GLU 0.000 0.000 . 0 "[ . 1]" 1 52 LEU 0.183 0.071 4 0 "[ . 1]" 1 74 SER 0.039 0.039 6 0 "[ . 1]" 1 76 HIS 1.261 0.094 1 0 "[ . 1]" 1 80 VAL 1.010 0.092 9 0 "[ . 1]" 1 82 VAL 0.000 0.000 . 0 "[ . 1]" 1 96 SER 0.007 0.007 4 0 "[ . 1]" 1 97 HIS 0.000 0.000 . 0 "[ . 1]" 1 100 TRP 2.462 0.146 10 0 "[ . 1]" 1 134 GLU 0.000 0.000 . 0 "[ . 1]" 1 159 LYS 0.000 0.000 . 0 "[ . 1]" 2 6 THR 0.000 0.000 . 0 "[ . 1]" 2 11 SER 0.000 0.000 . 0 "[ . 1]" 2 15 LEU 1.602 0.113 7 0 "[ . 1]" 2 22 ARG 0.000 0.000 . 0 "[ . 1]" 2 25 SER 0.177 0.067 3 0 "[ . 1]" 2 26 LEU 0.213 0.063 1 0 "[ . 1]" 2 27 PHE 1.023 0.092 9 0 "[ . 1]" 2 30 LEU 0.174 0.092 7 0 "[ . 1]" 2 33 ARG 0.070 0.038 7 0 "[ . 1]" 2 142 VAL 0.042 0.042 8 0 "[ . 1]" 2 145 ALA 0.000 0.000 . 0 "[ . 1]" 2 148 MET 0.039 0.027 5 0 "[ . 1]" 2 149 ARG 0.000 0.000 . 0 "[ . 1]" 2 152 SER 0.821 0.146 10 0 "[ . 1]" 2 153 LEU 1.299 0.094 1 0 "[ . 1]" 2 159 GLU 0.000 0.000 . 0 "[ . 1]" 2 161 LEU 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 100 TRP HH2 2 15 LEU MD2 3.722 . 4.842 2.366 1.966 2.747 . 0 0 "[ . 1]" 3 2 1 100 TRP HH2 2 15 LEU MD1 3.621 . 4.711 2.317 2.157 2.536 . 0 0 "[ . 1]" 3 3 1 100 TRP HD1 2 15 LEU MD1 3.706 . 6.006 6.081 6.047 6.113 0.107 2 0 "[ . 1]" 3 4 1 100 TRP HE3 2 15 LEU MD1 3.468 . 5.198 2.817 2.526 2.984 . 0 0 "[ . 1]" 3 5 1 100 TRP HE3 2 15 LEU MD2 3.887 . 5.827 4.336 4.134 4.517 . 0 0 "[ . 1]" 3 6 1 76 HIS HD2 2 153 LEU MD1 3.551 . 4.611 4.227 3.158 4.698 0.087 10 0 "[ . 1]" 3 7 1 76 HIS HD2 2 153 LEU MD2 2.922 . 3.802 2.770 2.217 3.374 . 0 0 "[ . 1]" 3 8 1 76 HIS HE1 2 153 LEU MD2 3.925 . 5.105 4.875 4.172 5.156 0.051 5 0 "[ . 1]" 3 9 1 76 HIS HE1 2 153 LEU MD1 4.840 . 6.290 6.335 6.186 6.384 0.094 1 0 "[ . 1]" 3 10 1 76 HIS HE1 2 15 LEU MD1 4.623 . 6.013 2.952 2.321 4.090 . 0 0 "[ . 1]" 3 11 1 82 VAL MG1 2 27 PHE QD 2.940 . 3.820 3.623 2.590 3.812 . 0 0 "[ . 1]" 3 12 1 80 VAL MG1 2 27 PHE QD 3.407 . 5.107 2.428 2.360 2.489 . 0 0 "[ . 1]" 3 13 1 52 LEU MD1 2 27 PHE QD 3.407 . 5.107 3.621 2.868 4.258 . 0 0 "[ . 1]" 3 14 1 80 VAL MG2 2 27 PHE QD 2.792 . 4.192 4.184 4.085 4.228 0.036 10 0 "[ . 1]" 3 15 1 52 LEU MD2 2 27 PHE QD 2.792 . 4.192 3.731 3.325 4.062 . 0 0 "[ . 1]" 3 16 1 44 THR MG 2 27 PHE QD 3.460 . 4.500 3.653 3.522 3.822 . 0 0 "[ . 1]" 3 17 1 82 VAL MG1 2 27 PHE QE 2.768 . 4.148 2.878 2.717 3.020 . 0 0 "[ . 1]" 3 18 1 82 VAL MG1 2 27 PHE HZ 2.768 . 4.148 3.045 2.753 3.781 . 0 0 "[ . 1]" 3 19 1 80 VAL MG1 2 27 PHE QE 3.105 . 4.655 3.169 3.062 3.265 . 0 0 "[ . 1]" 3 20 1 52 LEU MD1 2 27 PHE QE 3.105 . 4.655 2.870 2.141 3.620 . 0 0 "[ . 1]" 3 21 1 80 VAL MG1 2 27 PHE HZ 3.105 . 4.655 4.597 4.507 4.692 0.037 2 0 "[ . 1]" 3 22 1 52 LEU MD1 2 27 PHE HZ 3.105 . 4.655 4.374 3.893 4.726 0.071 4 0 "[ . 1]" 3 23 1 82 VAL MG2 2 27 PHE QE 3.614 . 5.424 3.951 2.393 4.197 . 0 0 "[ . 1]" 3 24 1 82 VAL MG2 2 27 PHE HZ 3.614 . 5.424 4.696 2.432 5.078 . 0 0 "[ . 1]" 3 25 1 80 VAL MG2 2 27 PHE QE 2.737 . 4.107 3.800 3.734 3.864 . 0 0 "[ . 1]" 3 26 1 52 LEU MD2 2 27 PHE QE 2.737 . 4.107 2.590 2.171 3.225 . 0 0 "[ . 1]" 3 27 1 80 VAL MG2 2 27 PHE HZ 2.737 . 4.107 4.167 4.127 4.199 0.092 9 0 "[ . 1]" 3 28 1 52 LEU MD2 2 27 PHE HZ 2.737 . 4.107 3.120 2.127 4.128 0.021 1 0 "[ . 1]" 3 29 1 44 THR MG 2 27 PHE HZ 3.968 . 5.168 2.319 2.174 2.480 . 0 0 "[ . 1]" 3 30 1 44 THR MG 2 27 PHE QE 3.602 . 4.682 2.511 2.383 2.688 . 0 0 "[ . 1]" 3 31 1 76 HIS HE1 2 11 SER QB 3.541 . 4.601 3.865 3.354 4.494 . 0 0 "[ . 1]" 3 32 1 100 TRP HH2 2 15 LEU QB 4.525 . 5.793 3.564 2.727 4.132 . 0 0 "[ . 1]" 3 33 1 100 TRP HH2 2 152 SER QB 3.940 . 5.120 2.642 2.207 3.534 . 0 0 "[ . 1]" 3 34 1 100 TRP HH2 2 15 LEU HA 4.158 . 5.408 4.084 3.110 4.708 . 0 0 "[ . 1]" 3 35 1 100 TRP HH2 2 152 SER HA 4.478 . 5.818 4.757 4.303 5.733 . 0 0 "[ . 1]" 3 36 1 82 VAL HB 2 27 PHE HZ 3.876 . 5.816 4.038 3.631 5.415 . 0 0 "[ . 1]" 3 37 1 82 VAL HB 2 27 PHE QE 3.876 . 5.816 3.013 2.677 4.861 . 0 0 "[ . 1]" 3 38 1 52 LEU QB 2 27 PHE QE 3.876 . 5.816 4.420 4.092 4.805 . 0 0 "[ . 1]" 3 39 1 80 VAL HB 2 27 PHE HZ 4.235 . 6.355 3.345 3.283 3.434 . 0 0 "[ . 1]" 3 40 1 80 VAL HB 2 27 PHE QE 4.235 . 6.355 2.337 2.214 2.472 . 0 0 "[ . 1]" 3 41 1 96 SER QB 2 27 PHE QE 4.494 . 5.844 4.286 4.032 4.584 . 0 0 "[ . 1]" 3 42 1 96 SER QB 2 27 PHE HZ 4.186 . 6.276 5.916 5.601 6.283 0.007 4 0 "[ . 1]" 3 43 1 96 SER HA 2 27 PHE QE 4.542 . 5.902 4.807 4.471 5.127 . 0 0 "[ . 1]" 3 44 1 76 HIS HD2 2 153 LEU QB 3.793 . 4.933 4.285 3.584 5.003 0.070 3 0 "[ . 1]" 3 45 1 82 VAL HB 2 27 PHE QD 4.385 . 5.695 2.919 2.373 5.290 . 0 0 "[ . 1]" 3 46 1 76 HIS HD2 2 159 GLU QB 4.304 . 5.594 4.491 3.427 5.591 . 0 0 "[ . 1]" 3 47 1 96 SER QB 2 27 PHE QD 3.745 . 4.865 2.322 2.072 2.650 . 0 0 "[ . 1]" 3 48 1 97 HIS HA 2 27 PHE QD 4.527 . 5.887 5.580 5.321 5.795 . 0 0 "[ . 1]" 3 49 1 96 SER HA 2 27 PHE QD 4.279 . 5.559 3.348 3.072 3.628 . 0 0 "[ . 1]" 3 50 1 100 TRP HE3 2 15 LEU QB 3.863 . 5.793 3.867 3.673 4.291 . 0 0 "[ . 1]" 3 51 1 100 TRP HH2 2 148 MET QB 4.114 . 6.174 2.530 1.773 3.475 0.027 5 0 "[ . 1]" 3 52 1 100 TRP HE3 2 148 MET QB 4.114 . 6.174 5.319 4.373 6.186 0.012 4 0 "[ . 1]" 3 53 1 100 TRP HE3 2 152 SER QB 4.243 . 5.513 5.556 5.157 5.659 0.146 10 0 "[ . 1]" 3 54 1 100 TRP HE3 2 15 LEU HA 3.793 . 6.003 6.088 6.024 6.116 0.113 7 0 "[ . 1]" 3 55 1 96 SER HA 2 27 PHE QB 4.580 . 5.950 3.916 3.627 4.228 . 0 0 "[ . 1]" 3 56 1 76 HIS QB 2 153 LEU MD2 3.796 . 4.892 2.466 2.026 2.741 . 0 0 "[ . 1]" 3 57 1 74 SER QB 2 153 LEU MD2 4.330 . 5.630 5.016 4.029 5.669 0.039 6 0 "[ . 1]" 3 58 1 52 LEU MD2 2 30 LEU QD 3.345 . 4.345 3.466 2.686 3.938 . 0 0 "[ . 1]" 3 59 1 44 THR MG 2 30 LEU QD 3.070 . 3.990 3.833 3.438 4.082 0.092 7 0 "[ . 1]" 3 60 1 48 LYS QG 2 26 LEU QD 2.868 . 4.998 4.924 4.457 5.061 0.063 1 0 "[ . 1]" 3 61 1 46 MET QB 2 26 LEU QD 3.041 . 3.348 1.985 1.819 2.184 . 0 0 "[ . 1]" 3 62 1 46 MET QG 2 26 LEU QD 3.182 . 4.132 2.896 1.960 3.900 . 0 0 "[ . 1]" 3 63 1 49 PRO QD 2 26 LEU QD 3.497 . 4.547 2.114 1.971 2.383 . 0 0 "[ . 1]" 3 64 1 46 MET HA 2 26 LEU QD 2.834 . 3.684 2.048 1.908 2.207 . 0 0 "[ . 1]" 3 65 1 80 VAL MG2 2 27 PHE QB 3.832 . 4.982 4.890 4.722 5.012 0.030 8 0 "[ . 1]" 3 66 1 80 VAL MG2 2 27 PHE HA 3.995 . 5.195 5.062 4.960 5.226 0.031 6 0 "[ . 1]" 3 67 1 80 VAL MG2 2 25 SER QB 3.939 . 4.762 4.716 4.499 4.829 0.067 3 0 "[ . 1]" 3 68 1 46 MET QB 2 30 LEU QD 3.041 . 4.561 2.055 1.842 2.617 . 0 0 "[ . 1]" 3 69 1 46 MET QB 2 142 VAL QG 2.845 . 3.695 3.440 3.106 3.737 0.042 8 0 "[ . 1]" 3 70 1 46 MET QB 2 145 ALA MB 3.467 . 4.507 3.024 2.291 3.756 . 0 0 "[ . 1]" 3 71 1 46 MET QB 2 22 ARG QD 3.297 . 4.297 3.082 2.574 3.963 . 0 0 "[ . 1]" 3 72 1 46 MET QB 2 27 PHE HA 3.841 . 4.991 2.239 2.039 2.547 . 0 0 "[ . 1]" 3 73 1 76 HIS QB 2 149 ARG HA 4.429 . 5.759 4.253 3.921 4.643 . 0 0 "[ . 1]" 3 74 1 50 GLU HA 2 6 THR HA 3.344 . 4.344 3.770 2.793 4.333 . 0 0 "[ . 1]" 3 75 1 49 PRO HA 2 33 ARG QB 3.601 . 4.681 4.526 4.310 4.719 0.038 7 0 "[ . 1]" 3 76 1 46 MET HA 2 26 LEU QB 3.475 . 4.515 2.463 1.963 3.714 . 0 0 "[ . 1]" 3 stop_ save_
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