NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
554343 | 2m06 | 18796 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m06 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 58 _Distance_constraint_stats_list.Viol_count 787 _Distance_constraint_stats_list.Viol_total 919.636 _Distance_constraint_stats_list.Viol_max 0.176 _Distance_constraint_stats_list.Viol_rms 0.0416 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0396 _Distance_constraint_stats_list.Viol_average_violations_only 0.0584 _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 2 THR 0.096 0.010 12 0 "[ . 1 . 2]" 1 3 SER 0.429 0.045 17 0 "[ . 1 . 2]" 1 4 THR 0.249 0.030 4 0 "[ . 1 . 2]" 1 5 VAL 1.394 0.088 19 0 "[ . 1 . 2]" 1 6 THR 0.126 0.036 16 0 "[ . 1 . 2]" 1 7 GLY 1.326 0.087 6 0 "[ . 1 . 2]" 1 8 GLY 1.206 0.077 5 0 "[ . 1 . 2]" 1 9 TYR 0.108 0.024 2 0 "[ . 1 . 2]" 1 10 ALA 0.598 0.047 2 0 "[ . 1 . 2]" 1 12 SER 2.034 0.118 14 0 "[ . 1 . 2]" 1 13 ASP 1.515 0.112 7 0 "[ . 1 . 2]" 1 14 ALA 2.168 0.144 15 0 "[ . 1 . 2]" 1 15 GLN 2.168 0.144 15 0 "[ . 1 . 2]" 1 21 MET 2.034 0.118 14 0 "[ . 1 . 2]" 1 22 GLY 1.435 0.099 2 0 "[ . 1 . 2]" 1 23 GLY 0.598 0.047 2 0 "[ . 1 . 2]" 1 24 PHE 1.120 0.081 16 0 "[ . 1 . 2]" 1 25 ASN 1.206 0.077 5 0 "[ . 1 . 2]" 1 26 LEU 0.924 0.083 5 0 "[ . 1 . 2]" 1 27 LYS 0.126 0.036 16 0 "[ . 1 . 2]" 1 28 TYR 0.585 0.061 14 0 "[ . 1 . 2]" 1 29 ARG 0.249 0.030 4 0 "[ . 1 . 2]" 1 30 TYR 0.394 0.058 12 0 "[ . 1 . 2]" 1 31 GLU 0.096 0.010 12 0 "[ . 1 . 2]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 GLY 2.862 0.166 10 0 "[ . 1 . 2]" 1 39 VAL 0.394 0.058 12 0 "[ . 1 . 2]" 1 40 ILE 0.368 0.065 2 0 "[ . 1 . 2]" 1 41 GLY 0.585 0.061 14 0 "[ . 1 . 2]" 1 42 SER 0.027 0.011 17 0 "[ . 1 . 2]" 1 43 PHE 0.924 0.083 5 0 "[ . 1 . 2]" 1 44 THR 1.410 0.108 16 0 "[ . 1 . 2]" 1 45 TYR 1.120 0.081 16 0 "[ . 1 . 2]" 1 46 THR 0.565 0.062 3 0 "[ . 1 . 2]" 1 47 GLU 1.435 0.099 2 0 "[ . 1 . 2]" 1 61 GLN 1.471 0.089 6 0 "[ . 1 . 2]" 1 62 TYR 0.565 0.062 3 0 "[ . 1 . 2]" 1 63 TYR 1.137 0.082 2 0 "[ . 1 . 2]" 1 64 GLY 1.410 0.108 16 0 "[ . 1 . 2]" 1 65 ILE 2.005 0.122 7 0 "[ . 1 . 2]" 1 66 THR 0.027 0.011 17 0 "[ . 1 . 2]" 1 67 ALA 0.912 0.071 16 0 "[ . 1 . 2]" 1 68 GLY 0.368 0.065 2 0 "[ . 1 . 2]" 1 70 ALA 2.862 0.166 10 0 "[ . 1 . 2]" 1 71 TYR 2.268 0.157 11 0 "[ . 1 . 2]" 1 73 ILE 0.186 0.114 15 0 "[ . 1 . 2]" 1 74 ASN 0.186 0.114 15 0 "[ . 1 . 2]" 1 78 SER 0.500 0.054 6 0 "[ . 1 . 2]" 1 79 ILE 2.268 0.157 11 0 "[ . 1 . 2]" 1 80 TYR 1.214 0.093 20 0 "[ . 1 . 2]" 1 82 VAL 1.118 0.100 19 0 "[ . 1 . 2]" 1 83 VAL 0.912 0.071 16 0 "[ . 1 . 2]" 1 84 GLY 1.930 0.145 6 0 "[ . 1 . 2]" 1 85 VAL 2.005 0.122 7 0 "[ . 1 . 2]" 1 86 GLY 0.689 0.060 10 0 "[ . 1 . 2]" 1 87 TYR 1.137 0.082 2 0 "[ . 1 . 2]" 1 88 GLY 0.205 0.036 3 0 "[ . 1 . 2]" 1 89 LYS 1.471 0.089 6 0 "[ . 1 . 2]" 1 104 ASP 0.205 0.036 3 0 "[ . 1 . 2]" 1 106 GLY 0.689 0.060 10 0 "[ . 1 . 2]" 1 107 PHE 0.351 0.035 15 0 "[ . 1 . 2]" 1 108 SER 1.930 0.145 6 0 "[ . 1 . 2]" 1 109 TYR 0.516 0.046 19 0 "[ . 1 . 2]" 1 110 GLY 1.118 0.100 19 0 "[ . 1 . 2]" 1 111 ALA 0.012 0.007 10 0 "[ . 1 . 2]" 1 112 GLY 1.214 0.093 20 0 "[ . 1 . 2]" 1 113 LEU 1.300 0.089 7 0 "[ . 1 . 2]" 1 114 GLN 0.500 0.054 6 0 "[ . 1 . 2]" 1 115 PHE 1.467 0.099 8 0 "[ . 1 . 2]" 1 118 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 120 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 ALA 0.775 0.062 17 0 "[ . 1 . 2]" 1 123 LEU 1.467 0.099 8 0 "[ . 1 . 2]" 1 124 ASP 1.739 0.102 14 0 "[ . 1 . 2]" 1 125 PHE 1.300 0.089 7 0 "[ . 1 . 2]" 1 127 TYR 0.012 0.007 10 0 "[ . 1 . 2]" 1 129 GLN 0.516 0.046 19 0 "[ . 1 . 2]" 1 130 SER 0.956 0.068 7 0 "[ . 1 . 2]" 1 131 ARG 0.351 0.035 15 0 "[ . 1 . 2]" 1 132 ILE 4.288 0.176 3 0 "[ . 1 . 2]" 1 133 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 SER 2.968 0.176 3 0 "[ . 1 . 2]" 1 135 VAL 1.320 0.156 6 0 "[ . 1 . 2]" 1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 VAL 0.956 0.068 7 0 "[ . 1 . 2]" 1 138 GLY 1.515 0.112 7 0 "[ . 1 . 2]" 1 142 ALA 0.108 0.024 2 0 "[ . 1 . 2]" 1 143 GLY 1.739 0.102 14 0 "[ . 1 . 2]" 1 144 VAL 1.326 0.087 6 0 "[ . 1 . 2]" 1 145 GLY 0.775 0.062 17 0 "[ . 1 . 2]" 1 146 TYR 1.394 0.088 19 0 "[ . 1 . 2]" 1 147 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 148 PHE 0.429 0.045 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 40 ILE H 1 68 GLY H 0.000 . 2.800 2.815 2.774 2.865 0.065 2 0 "[ . 1 . 2]" 1 2 1 8 GLY H 1 25 ASN H 0.000 . 2.800 2.860 2.840 2.877 0.077 5 0 "[ . 1 . 2]" 1 3 1 7 GLY H 1 144 VAL H 0.000 . 2.800 2.866 2.850 2.887 0.087 6 0 "[ . 1 . 2]" 1 4 1 82 VAL H 1 110 GLY H 0.000 . 2.800 2.856 2.824 2.900 0.100 19 0 "[ . 1 . 2]" 1 5 1 124 ASP H 1 143 GLY H 0.000 . 2.800 2.887 2.858 2.902 0.102 14 0 "[ . 1 . 2]" 1 6 1 42 SER H 1 66 THR H 0.000 . 3.200 3.104 2.858 3.211 0.011 17 0 "[ . 1 . 2]" 1 7 1 67 ALA H 1 83 VAL H 0.000 . 2.800 2.846 2.833 2.871 0.071 16 0 "[ . 1 . 2]" 1 8 1 44 THR H 1 64 GLY H 0.000 . 2.800 2.871 2.840 2.908 0.108 16 0 "[ . 1 . 2]" 1 9 1 122 ALA H 1 145 GLY H 0.000 . 2.800 2.839 2.814 2.862 0.062 17 0 "[ . 1 . 2]" 1 10 1 84 GLY H 1 108 SER H 0.000 . 2.800 2.897 2.871 2.945 0.145 6 0 "[ . 1 . 2]" 1 11 1 84 GLY H 1 85 VAL H 2.700 2.700 6.700 4.370 4.353 4.385 . 0 0 "[ . 1 . 2]" 1 12 1 80 TYR H 1 112 GLY H 0.000 . 2.800 2.861 2.834 2.893 0.093 20 0 "[ . 1 . 2]" 1 13 1 10 ALA H 1 23 GLY H 0.000 . 3.200 3.230 3.209 3.247 0.047 2 0 "[ . 1 . 2]" 1 14 1 34 ASN H 1 35 SER H 0.000 . 4.000 2.248 2.235 2.284 . 0 0 "[ . 1 . 2]" 1 15 1 88 GLY H 1 104 ASP H 0.000 . 3.200 3.193 3.065 3.236 0.036 3 0 "[ . 1 . 2]" 1 16 1 22 GLY H 1 47 GLU H 0.000 . 2.800 2.872 2.841 2.899 0.099 2 0 "[ . 1 . 2]" 1 17 1 86 GLY H 1 106 GLY H 0.000 . 2.800 2.834 2.807 2.860 0.060 10 0 "[ . 1 . 2]" 1 18 1 38 GLY H 1 70 ALA H 0.000 . 2.800 2.943 2.923 2.966 0.166 10 0 "[ . 1 . 2]" 1 19 1 113 LEU H 1 125 PHE H 0.000 . 2.800 2.865 2.847 2.889 0.089 7 0 "[ . 1 . 2]" 1 20 1 30 TYR H 1 39 VAL H 0.000 . 3.200 3.219 3.180 3.258 0.058 12 0 "[ . 1 . 2]" 1 21 1 65 ILE H 1 85 VAL H 0.000 . 2.800 2.900 2.884 2.922 0.122 7 0 "[ . 1 . 2]" 1 22 1 26 LEU H 1 43 PHE H 0.000 . 2.800 2.846 2.824 2.883 0.083 5 0 "[ . 1 . 2]" 1 23 1 133 ARG H 1 135 VAL H 2.700 2.700 6.700 4.551 4.435 4.978 . 0 0 "[ . 1 . 2]" 1 24 1 132 ILE H 1 135 VAL H 0.000 . 3.200 3.266 3.233 3.356 0.156 6 0 "[ . 1 . 2]" 1 25 1 134 SER H 1 135 VAL H 0.000 . 3.200 2.780 2.479 2.867 . 0 0 "[ . 1 . 2]" 1 26 1 115 PHE H 1 123 LEU H 0.000 . 2.800 2.873 2.846 2.899 0.099 8 0 "[ . 1 . 2]" 1 27 1 78 SER H 1 114 GLN H 0.000 . 3.200 3.223 3.164 3.254 0.054 6 0 "[ . 1 . 2]" 1 28 1 24 PHE H 1 45 TYR H 0.000 . 2.800 2.856 2.831 2.881 0.081 16 0 "[ . 1 . 2]" 1 29 1 45 TYR H 1 46 THR H 2.700 2.700 6.700 4.290 4.235 4.339 . 0 0 "[ . 1 . 2]" 1 30 1 107 PHE H 1 131 ARG H 0.000 . 3.200 3.218 3.200 3.235 0.035 15 0 "[ . 1 . 2]" 1 31 1 71 TYR H 1 79 ILE H 0.000 . 2.800 2.913 2.871 2.957 0.157 11 0 "[ . 1 . 2]" 1 32 1 32 GLU H 1 34 ASN H 2.700 2.700 7.700 5.852 5.775 5.960 . 0 0 "[ . 1 . 2]" 1 33 1 12 SER H 1 21 MET H 0.000 . 2.800 2.902 2.888 2.918 0.118 14 0 "[ . 1 . 2]" 1 34 1 61 GLN H 1 89 LYS H 0.000 . 2.800 2.874 2.860 2.889 0.089 6 0 "[ . 1 . 2]" 1 35 1 15 GLN H 1 136 ASP H 0.000 . 4.000 3.738 3.588 3.941 . 0 0 "[ . 1 . 2]" 1 36 1 147 ARG H 1 148 PHE H 2.700 2.700 7.700 4.488 4.427 4.551 . 0 0 "[ . 1 . 2]" 1 37 1 120 ASN H 1 121 VAL H 0.000 . 3.200 2.750 2.521 2.832 . 0 0 "[ . 1 . 2]" 1 38 1 14 ALA H 1 15 GLN H 0.000 . 4.000 4.108 4.054 4.144 0.144 15 0 "[ . 1 . 2]" 1 39 1 111 ALA H 1 127 TYR H 0.000 . 3.200 3.076 2.916 3.207 0.007 10 0 "[ . 1 . 2]" 1 40 1 132 ILE H 1 134 SER H 0.000 . 4.000 4.148 4.082 4.176 0.176 3 0 "[ . 1 . 2]" 1 41 1 132 ILE H 1 133 ARG H 2.700 2.700 6.700 3.911 3.836 4.224 . 0 0 "[ . 1 . 2]" 1 42 1 3 SER H 1 148 PHE H 0.000 . 3.200 3.221 3.191 3.245 0.045 17 0 "[ . 1 . 2]" 1 43 1 5 VAL H 1 146 TYR H 0.000 . 2.800 2.870 2.849 2.888 0.088 19 0 "[ . 1 . 2]" 1 44 1 9 TYR H 1 142 ALA H 0.000 . 3.200 3.196 3.104 3.224 0.024 2 0 "[ . 1 . 2]" 1 45 1 6 THR H 1 27 LYS H 0.000 . 3.200 3.143 2.923 3.236 0.036 16 0 "[ . 1 . 2]" 1 46 1 4 THR H 1 29 ARG H 0.000 . 3.200 3.199 3.003 3.230 0.030 4 0 "[ . 1 . 2]" 1 47 1 13 ASP H 1 138 GLY H 0.000 . 2.800 2.876 2.860 2.912 0.112 7 0 "[ . 1 . 2]" 1 48 1 109 TYR H 1 129 GLN H 0.000 . 3.200 3.223 3.155 3.246 0.046 19 0 "[ . 1 . 2]" 1 49 1 63 TYR H 1 87 TYR H 0.000 . 2.800 2.857 2.835 2.882 0.082 2 0 "[ . 1 . 2]" 1 50 1 46 THR H 1 62 TYR H 0.000 . 3.200 3.221 3.113 3.262 0.062 3 0 "[ . 1 . 2]" 1 51 1 28 TYR H 1 41 GLY H 0.000 . 2.800 2.829 2.811 2.861 0.061 14 0 "[ . 1 . 2]" 1 52 1 2 THR H 1 31 GLU H 0.000 . 4.000 3.966 3.588 4.010 0.010 12 0 "[ . 1 . 2]" 1 53 1 13 ASP H 1 14 ALA H 2.700 2.700 7.700 4.434 4.360 4.503 . 0 0 "[ . 1 . 2]" 1 54 1 33 ASP H 1 35 SER H 2.700 2.700 7.700 3.950 3.880 3.995 . 0 0 "[ . 1 . 2]" 1 55 1 73 ILE H 1 74 ASN H 2.700 2.700 6.700 3.891 2.586 4.487 0.114 15 0 "[ . 1 . 2]" 1 56 1 118 MET H 1 119 GLU H 2.700 2.700 6.700 2.945 2.730 4.481 . 0 0 "[ . 1 . 2]" 1 57 1 136 ASP H 1 137 VAL H 2.700 2.700 6.700 4.424 4.377 4.457 . 0 0 "[ . 1 . 2]" 1 58 1 130 SER H 1 137 VAL H 0.000 . 3.200 3.248 3.229 3.268 0.068 7 0 "[ . 1 . 2]" 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 170 _Distance_constraint_stats_list.Viol_count 315 _Distance_constraint_stats_list.Viol_total 1776.351 _Distance_constraint_stats_list.Viol_max 1.355 _Distance_constraint_stats_list.Viol_rms 0.1118 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0261 _Distance_constraint_stats_list.Viol_average_violations_only 0.2820 _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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 THR 22.119 1.188 10 6 "[ . * +-* . * *2]" 1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 THR 5.877 0.655 10 1 "[ . + . 2]" 1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LEU 0.517 0.107 5 0 "[ . 1 . 2]" 1 27 LYS 5.877 0.655 10 1 "[ . + . 2]" 1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 ARG 22.119 1.188 10 6 "[ . * +-* . * *2]" 1 30 TYR 24.562 0.651 20 10 "[ ** - ** * * * *+]" 1 38 GLY 12.272 1.355 11 3 "[ . 1+- . * 2]" 1 39 VAL 24.562 0.651 20 10 "[ ** - ** * * * *+]" 1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 SER 0.214 0.103 20 0 "[ . 1 . 2]" 1 43 PHE 0.517 0.107 5 0 "[ . 1 . 2]" 1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 THR 0.214 0.103 20 0 "[ . 1 . 2]" 1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 PRO 0.022 0.013 2 0 "[ . 1 . 2]" 1 70 ALA 12.272 1.355 11 3 "[ . 1+- . * 2]" 1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 SER 16.570 1.175 11 8 "[* * .* 1+ * .-* *]" 1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 GLY 0.022 0.013 2 0 "[ . 1 . 2]" 1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 GLY 0.050 0.043 5 0 "[ . 1 . 2]" 1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 ASP 0.050 0.043 5 0 "[ . 1 . 2]" 1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 ALA 2.230 0.238 17 0 "[ . 1 . 2]" 1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 114 GLN 16.570 1.175 11 8 "[* * .* 1+ * .-* *]" 1 115 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 SER 4.384 0.398 8 0 "[ . 1 . 2]" 1 127 TYR 2.230 0.238 17 0 "[ . 1 . 2]" 1 129 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 131 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 138 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 141 ILE 4.384 0.398 8 0 "[ . 1 . 2]" 1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 143 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 145 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 146 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 148 PHE 0.000 0.000 . 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 4 THR H 1 29 ARG O 2.200 . 2.600 2.915 2.271 3.788 1.188 10 5 "[ . - + * . * *2]" 2 2 1 4 THR N 1 29 ARG O 3.100 2.600 3.500 3.827 3.241 4.531 1.031 10 6 "[ . * +-* . * *2]" 2 3 1 4 THR O 1 29 ARG H 2.200 . 2.600 2.796 2.376 3.482 0.882 10 3 "[ . + * . - 2]" 2 4 1 4 THR O 1 29 ARG N 3.100 2.600 3.500 3.599 3.124 4.358 0.858 10 2 "[ . + - . 2]" 2 5 1 6 THR H 1 27 LYS O 2.200 . 2.600 2.649 2.358 3.207 0.607 10 1 "[ . + . 2]" 2 6 1 6 THR N 1 27 LYS O 3.100 2.600 3.500 3.554 3.311 3.789 0.289 10 0 "[ . 1 . 2]" 2 7 1 6 THR O 1 27 LYS H 2.200 . 2.600 2.364 2.141 3.250 0.650 10 1 "[ . + . 2]" 2 8 1 6 THR O 1 27 LYS N 3.100 2.600 3.500 3.284 2.926 4.155 0.655 10 1 "[ . + . 2]" 2 9 1 8 GLY H 1 25 ASN O 2.200 . 2.600 2.239 2.169 2.305 . 0 0 "[ . 1 . 2]" 2 10 1 8 GLY N 1 25 ASN O 3.100 2.600 3.500 3.143 3.060 3.226 . 0 0 "[ . 1 . 2]" 2 11 1 8 GLY O 1 25 ASN H 2.200 . 2.600 2.172 2.082 2.226 . 0 0 "[ . 1 . 2]" 2 12 1 8 GLY O 1 25 ASN N 3.100 2.600 3.500 3.114 3.033 3.160 . 0 0 "[ . 1 . 2]" 2 13 1 10 ALA H 1 23 GLY O 2.200 . 2.600 2.173 2.101 2.239 . 0 0 "[ . 1 . 2]" 2 14 1 10 ALA N 1 23 GLY O 3.100 2.600 3.500 3.138 3.073 3.205 . 0 0 "[ . 1 . 2]" 2 15 1 10 ALA O 1 23 GLY H 2.200 . 2.600 2.211 2.157 2.277 . 0 0 "[ . 1 . 2]" 2 16 1 10 ALA O 1 23 GLY N 3.100 2.600 3.500 3.171 3.103 3.238 . 0 0 "[ . 1 . 2]" 2 17 1 12 SER H 1 21 MET O 2.200 . 2.600 2.072 2.028 2.130 . 0 0 "[ . 1 . 2]" 2 18 1 12 SER N 1 21 MET O 3.100 2.600 3.500 3.033 2.993 3.091 . 0 0 "[ . 1 . 2]" 2 19 1 12 SER O 1 21 MET H 2.200 . 2.600 2.251 2.198 2.310 . 0 0 "[ . 1 . 2]" 2 20 1 12 SER O 1 21 MET N 3.100 2.600 3.500 3.211 3.143 3.275 . 0 0 "[ . 1 . 2]" 2 21 1 3 SER H 1 148 PHE O 2.200 . 2.600 2.217 2.182 2.267 . 0 0 "[ . 1 . 2]" 2 22 1 3 SER N 1 148 PHE O 3.100 2.600 3.500 3.194 3.162 3.237 . 0 0 "[ . 1 . 2]" 2 23 1 3 SER O 1 148 PHE H 2.200 . 2.600 2.181 2.033 2.250 . 0 0 "[ . 1 . 2]" 2 24 1 3 SER O 1 148 PHE N 3.100 2.600 3.500 3.142 2.997 3.204 . 0 0 "[ . 1 . 2]" 2 25 1 5 VAL H 1 146 TYR O 2.200 . 2.600 2.231 2.154 2.326 . 0 0 "[ . 1 . 2]" 2 26 1 5 VAL N 1 146 TYR O 3.100 2.600 3.500 3.188 3.101 3.295 . 0 0 "[ . 1 . 2]" 2 27 1 5 VAL O 1 146 TYR H 2.200 . 2.600 2.103 2.042 2.168 . 0 0 "[ . 1 . 2]" 2 28 1 5 VAL O 1 146 TYR N 3.100 2.600 3.500 3.014 2.951 3.068 . 0 0 "[ . 1 . 2]" 2 29 1 7 GLY H 1 144 VAL O 2.200 . 2.600 2.164 2.106 2.231 . 0 0 "[ . 1 . 2]" 2 30 1 7 GLY N 1 144 VAL O 3.100 2.600 3.500 3.094 3.046 3.151 . 0 0 "[ . 1 . 2]" 2 31 1 7 GLY O 1 144 VAL H 2.200 . 2.600 2.124 2.059 2.182 . 0 0 "[ . 1 . 2]" 2 32 1 7 GLY O 1 144 VAL N 3.100 2.600 3.500 3.025 2.969 3.077 . 0 0 "[ . 1 . 2]" 2 33 1 9 TYR H 1 142 ALA O 2.200 . 2.600 2.219 2.149 2.279 . 0 0 "[ . 1 . 2]" 2 34 1 9 TYR N 1 142 ALA O 3.100 2.600 3.500 3.117 3.054 3.180 . 0 0 "[ . 1 . 2]" 2 35 1 9 TYR O 1 142 ALA H 2.200 . 2.600 2.403 2.322 2.510 . 0 0 "[ . 1 . 2]" 2 36 1 9 TYR O 1 142 ALA N 3.100 2.600 3.500 3.369 3.284 3.481 . 0 0 "[ . 1 . 2]" 2 37 1 13 ASP H 1 138 GLY O 2.200 . 2.600 2.088 1.999 2.172 . 0 0 "[ . 1 . 2]" 2 38 1 13 ASP N 1 138 GLY O 3.100 2.600 3.500 3.042 2.970 3.131 . 0 0 "[ . 1 . 2]" 2 39 1 13 ASP O 1 138 GLY H 2.200 . 2.600 2.153 1.984 2.236 . 0 0 "[ . 1 . 2]" 2 40 1 13 ASP O 1 138 GLY N 3.100 2.600 3.500 3.111 2.944 3.198 . 0 0 "[ . 1 . 2]" 2 41 1 15 GLN H 1 136 ASP O 2.200 . 2.600 2.028 1.954 2.109 . 0 0 "[ . 1 . 2]" 2 42 1 15 GLN N 1 136 ASP O 3.100 2.600 3.500 2.919 2.809 3.022 . 0 0 "[ . 1 . 2]" 2 43 1 15 GLN O 1 136 ASP H 2.200 . 2.600 2.467 2.399 2.525 . 0 0 "[ . 1 . 2]" 2 44 1 15 GLN O 1 136 ASP N 3.100 2.600 3.500 3.419 3.352 3.480 . 0 0 "[ . 1 . 2]" 2 45 1 22 GLY H 1 47 GLU O 2.200 . 2.600 2.333 2.224 2.428 . 0 0 "[ . 1 . 2]" 2 46 1 22 GLY N 1 47 GLU O 3.100 2.600 3.500 3.305 3.195 3.401 . 0 0 "[ . 1 . 2]" 2 47 1 22 GLY O 1 47 GLU H 2.200 . 2.600 2.050 1.977 2.108 . 0 0 "[ . 1 . 2]" 2 48 1 22 GLY O 1 47 GLU N 3.100 2.600 3.500 2.992 2.917 3.030 . 0 0 "[ . 1 . 2]" 2 49 1 24 PHE H 1 45 TYR O 2.200 . 2.600 2.220 2.147 2.282 . 0 0 "[ . 1 . 2]" 2 50 1 24 PHE N 1 45 TYR O 3.100 2.600 3.500 3.082 3.018 3.138 . 0 0 "[ . 1 . 2]" 2 51 1 24 PHE O 1 45 TYR H 2.200 . 2.600 2.234 2.136 2.304 . 0 0 "[ . 1 . 2]" 2 52 1 24 PHE O 1 45 TYR N 3.100 2.600 3.500 3.188 3.094 3.249 . 0 0 "[ . 1 . 2]" 2 53 1 26 LEU H 1 43 PHE O 2.200 . 2.600 2.482 2.243 2.685 0.085 5 0 "[ . 1 . 2]" 2 54 1 26 LEU N 1 43 PHE O 3.100 2.600 3.500 3.396 3.184 3.607 0.107 5 0 "[ . 1 . 2]" 2 55 1 26 LEU O 1 43 PHE H 2.200 . 2.600 2.342 2.152 2.659 0.059 4 0 "[ . 1 . 2]" 2 56 1 26 LEU O 1 43 PHE N 3.100 2.600 3.500 3.273 3.099 3.563 0.063 4 0 "[ . 1 . 2]" 2 57 1 28 TYR H 1 41 GLY O 2.200 . 2.600 2.243 2.147 2.317 . 0 0 "[ . 1 . 2]" 2 58 1 28 TYR N 1 41 GLY O 3.100 2.600 3.500 3.177 3.079 3.252 . 0 0 "[ . 1 . 2]" 2 59 1 28 TYR O 1 41 GLY H 2.200 . 2.600 2.306 2.212 2.385 . 0 0 "[ . 1 . 2]" 2 60 1 28 TYR O 1 41 GLY N 3.100 2.600 3.500 3.255 3.153 3.340 . 0 0 "[ . 1 . 2]" 2 61 1 30 TYR H 1 39 VAL O 2.200 . 2.600 2.724 2.373 3.013 0.413 12 0 "[ . 1 . 2]" 2 62 1 30 TYR N 1 39 VAL O 3.100 2.600 3.500 3.601 3.292 3.807 0.307 3 0 "[ . 1 . 2]" 2 63 1 30 TYR O 1 39 VAL H 2.200 . 2.600 3.076 2.832 3.251 0.651 20 10 "[ ** - ** * * * *+]" 2 64 1 30 TYR O 1 39 VAL N 3.100 2.600 3.500 3.981 3.791 4.139 0.639 9 8 "[ -* * +1 * * * *]" 2 65 1 38 GLY H 1 70 ALA O 2.200 . 2.600 2.931 2.612 3.942 1.342 11 3 "[ . 1+* . - 2]" 2 66 1 38 GLY N 1 70 ALA O 3.100 2.600 3.500 3.765 3.287 4.855 1.355 11 3 "[ . 1+- . * 2]" 2 67 1 38 GLY O 1 70 ALA H 2.200 . 2.600 2.140 2.134 2.144 . 0 0 "[ . 1 . 2]" 2 68 1 38 GLY O 1 70 ALA N 3.100 2.600 3.500 2.679 2.643 2.753 . 0 0 "[ . 1 . 2]" 2 69 1 40 ILE H 1 68 GLY O 2.200 . 2.600 2.254 2.190 2.338 . 0 0 "[ . 1 . 2]" 2 70 1 40 ILE N 1 68 GLY O 3.100 2.600 3.500 3.194 3.120 3.276 . 0 0 "[ . 1 . 2]" 2 71 1 40 ILE O 1 68 GLY H 2.200 . 2.600 2.304 2.229 2.389 . 0 0 "[ . 1 . 2]" 2 72 1 40 ILE O 1 68 GLY N 3.100 2.600 3.500 3.178 3.085 3.253 . 0 0 "[ . 1 . 2]" 2 73 1 42 SER H 1 66 THR O 2.200 . 2.600 2.385 2.152 2.701 0.101 20 0 "[ . 1 . 2]" 2 74 1 42 SER N 1 66 THR O 3.100 2.600 3.500 3.332 3.109 3.603 0.103 20 0 "[ . 1 . 2]" 2 75 1 42 SER O 1 66 THR H 2.200 . 2.600 2.397 2.153 2.600 0.000 20 0 "[ . 1 . 2]" 2 76 1 42 SER O 1 66 THR N 3.100 2.600 3.500 3.319 3.073 3.479 . 0 0 "[ . 1 . 2]" 2 77 1 44 THR H 1 64 GLY O 2.200 . 2.600 2.189 2.050 2.290 . 0 0 "[ . 1 . 2]" 2 78 1 44 THR N 1 64 GLY O 3.100 2.600 3.500 3.147 3.009 3.255 . 0 0 "[ . 1 . 2]" 2 79 1 44 THR O 1 64 GLY H 2.200 . 2.600 2.205 2.141 2.288 . 0 0 "[ . 1 . 2]" 2 80 1 44 THR O 1 64 GLY N 3.100 2.600 3.500 3.126 3.054 3.215 . 0 0 "[ . 1 . 2]" 2 81 1 46 THR H 1 62 TYR O 2.200 . 2.600 2.140 2.017 2.269 . 0 0 "[ . 1 . 2]" 2 82 1 46 THR N 1 62 TYR O 3.100 2.600 3.500 3.107 2.980 3.234 . 0 0 "[ . 1 . 2]" 2 83 1 46 THR O 1 62 TYR H 2.200 . 2.600 2.313 2.245 2.377 . 0 0 "[ . 1 . 2]" 2 84 1 46 THR O 1 62 TYR N 3.100 2.600 3.500 3.259 3.164 3.344 . 0 0 "[ . 1 . 2]" 2 85 1 61 GLN H 1 89 LYS O 2.200 . 2.600 2.266 2.137 2.420 . 0 0 "[ . 1 . 2]" 2 86 1 61 GLN N 1 89 LYS O 3.100 2.600 3.500 3.216 3.085 3.370 . 0 0 "[ . 1 . 2]" 2 87 1 61 GLN O 1 89 LYS H 2.200 . 2.600 2.164 2.068 2.232 . 0 0 "[ . 1 . 2]" 2 88 1 61 GLN O 1 89 LYS N 3.100 2.600 3.500 3.100 2.999 3.176 . 0 0 "[ . 1 . 2]" 2 89 1 63 TYR H 1 87 TYR O 2.200 . 2.600 2.186 2.116 2.252 . 0 0 "[ . 1 . 2]" 2 90 1 63 TYR N 1 87 TYR O 3.100 2.600 3.500 3.124 3.060 3.190 . 0 0 "[ . 1 . 2]" 2 91 1 63 TYR O 1 87 TYR H 2.200 . 2.600 2.093 2.035 2.155 . 0 0 "[ . 1 . 2]" 2 92 1 63 TYR O 1 87 TYR N 3.100 2.600 3.500 3.023 2.978 3.090 . 0 0 "[ . 1 . 2]" 2 93 1 65 ILE H 1 85 VAL O 2.200 . 2.600 2.150 2.089 2.201 . 0 0 "[ . 1 . 2]" 2 94 1 65 ILE N 1 85 VAL O 3.100 2.600 3.500 3.098 3.019 3.155 . 0 0 "[ . 1 . 2]" 2 95 1 65 ILE O 1 85 VAL H 2.200 . 2.600 2.208 2.155 2.258 . 0 0 "[ . 1 . 2]" 2 96 1 65 ILE O 1 85 VAL N 3.100 2.600 3.500 3.088 3.036 3.145 . 0 0 "[ . 1 . 2]" 2 97 1 67 ALA H 1 83 VAL O 2.200 . 2.600 2.144 2.086 2.203 . 0 0 "[ . 1 . 2]" 2 98 1 67 ALA N 1 83 VAL O 3.100 2.600 3.500 3.082 3.022 3.135 . 0 0 "[ . 1 . 2]" 2 99 1 67 ALA O 1 83 VAL H 2.200 . 2.600 2.220 2.164 2.259 . 0 0 "[ . 1 . 2]" 2 100 1 67 ALA O 1 83 VAL N 3.100 2.600 3.500 3.172 3.128 3.224 . 0 0 "[ . 1 . 2]" 2 101 1 69 PRO O 1 81 GLY H 2.200 . 2.600 2.478 2.386 2.559 . 0 0 "[ . 1 . 2]" 2 102 1 69 PRO O 1 81 GLY N 3.100 2.600 3.500 3.413 3.304 3.513 0.013 2 0 "[ . 1 . 2]" 2 103 1 71 TYR H 1 79 ILE O 2.200 . 2.600 1.963 1.846 2.132 . 0 0 "[ . 1 . 2]" 2 104 1 71 TYR N 1 79 ILE O 3.100 2.600 3.500 2.915 2.791 3.076 . 0 0 "[ . 1 . 2]" 2 105 1 71 TYR O 1 79 ILE H 2.200 . 2.600 2.264 2.181 2.400 . 0 0 "[ . 1 . 2]" 2 106 1 71 TYR O 1 79 ILE N 3.100 2.600 3.500 3.221 3.124 3.364 . 0 0 "[ . 1 . 2]" 2 107 1 88 GLY H 1 104 ASP O 2.200 . 2.600 2.070 1.977 2.197 . 0 0 "[ . 1 . 2]" 2 108 1 88 GLY N 1 104 ASP O 3.100 2.600 3.500 3.008 2.917 3.130 . 0 0 "[ . 1 . 2]" 2 109 1 88 GLY O 1 104 ASP H 2.200 . 2.600 2.425 2.287 2.593 . 0 0 "[ . 1 . 2]" 2 110 1 88 GLY O 1 104 ASP N 3.100 2.600 3.500 3.387 3.253 3.543 0.043 5 0 "[ . 1 . 2]" 2 111 1 86 GLY H 1 106 GLY O 2.200 . 2.600 2.169 2.075 2.279 . 0 0 "[ . 1 . 2]" 2 112 1 86 GLY N 1 106 GLY O 3.100 2.600 3.500 3.130 3.036 3.243 . 0 0 "[ . 1 . 2]" 2 113 1 86 GLY O 1 106 GLY H 2.200 . 2.600 2.177 2.075 2.243 . 0 0 "[ . 1 . 2]" 2 114 1 86 GLY O 1 106 GLY N 3.100 2.600 3.500 3.091 2.987 3.169 . 0 0 "[ . 1 . 2]" 2 115 1 84 GLY H 1 108 SER O 2.200 . 2.600 2.164 2.092 2.276 . 0 0 "[ . 1 . 2]" 2 116 1 84 GLY N 1 108 SER O 3.100 2.600 3.500 3.044 2.981 3.150 . 0 0 "[ . 1 . 2]" 2 117 1 84 GLY O 1 108 SER H 2.200 . 2.600 2.173 2.140 2.223 . 0 0 "[ . 1 . 2]" 2 118 1 84 GLY O 1 108 SER N 3.100 2.600 3.500 3.126 3.088 3.176 . 0 0 "[ . 1 . 2]" 2 119 1 82 VAL H 1 110 GLY O 2.200 . 2.600 2.020 1.961 2.061 . 0 0 "[ . 1 . 2]" 2 120 1 82 VAL N 1 110 GLY O 3.100 2.600 3.500 2.970 2.913 3.009 . 0 0 "[ . 1 . 2]" 2 121 1 82 VAL O 1 110 GLY H 2.200 . 2.600 2.255 2.199 2.298 . 0 0 "[ . 1 . 2]" 2 122 1 82 VAL O 1 110 GLY N 3.100 2.600 3.500 3.163 3.086 3.228 . 0 0 "[ . 1 . 2]" 2 123 1 80 TYR H 1 112 GLY O 2.200 . 2.600 2.237 2.125 2.315 . 0 0 "[ . 1 . 2]" 2 124 1 80 TYR N 1 112 GLY O 3.100 2.600 3.500 3.173 3.079 3.247 . 0 0 "[ . 1 . 2]" 2 125 1 80 TYR O 1 112 GLY H 2.200 . 2.600 2.118 2.083 2.183 . 0 0 "[ . 1 . 2]" 2 126 1 80 TYR O 1 112 GLY N 3.100 2.600 3.500 3.048 3.015 3.107 . 0 0 "[ . 1 . 2]" 2 127 1 78 SER H 1 114 GLN O 2.200 . 2.600 2.993 2.504 3.775 1.175 11 6 "[* * . 1+ * . - *]" 2 128 1 78 SER N 1 114 GLN O 3.100 2.600 3.500 3.926 3.461 4.635 1.135 11 8 "[* * .* 1+ * .-* *]" 2 129 1 78 SER O 1 114 GLN H 2.200 . 2.600 2.322 2.148 2.619 0.019 13 0 "[ . 1 . 2]" 2 130 1 78 SER O 1 114 GLN N 3.100 2.600 3.500 3.254 2.983 3.533 0.033 13 0 "[ . 1 . 2]" 2 131 1 107 PHE H 1 131 ARG O 2.200 . 2.600 2.362 2.283 2.415 . 0 0 "[ . 1 . 2]" 2 132 1 107 PHE N 1 131 ARG O 3.100 2.600 3.500 3.269 3.200 3.362 . 0 0 "[ . 1 . 2]" 2 133 1 107 PHE O 1 131 ARG H 2.200 . 2.600 2.155 2.106 2.198 . 0 0 "[ . 1 . 2]" 2 134 1 107 PHE O 1 131 ARG N 3.100 2.600 3.500 3.099 3.053 3.152 . 0 0 "[ . 1 . 2]" 2 135 1 109 TYR H 1 129 GLN O 2.200 . 2.600 2.203 2.145 2.257 . 0 0 "[ . 1 . 2]" 2 136 1 109 TYR N 1 129 GLN O 3.100 2.600 3.500 3.171 3.116 3.211 . 0 0 "[ . 1 . 2]" 2 137 1 109 TYR O 1 129 GLN H 2.200 . 2.600 2.156 2.089 2.200 . 0 0 "[ . 1 . 2]" 2 138 1 109 TYR O 1 129 GLN N 3.100 2.600 3.500 3.132 3.067 3.180 . 0 0 "[ . 1 . 2]" 2 139 1 111 ALA H 1 127 TYR O 2.200 . 2.600 2.650 2.489 2.838 0.238 17 0 "[ . 1 . 2]" 2 140 1 111 ALA N 1 127 TYR O 3.100 2.600 3.500 3.511 3.366 3.734 0.234 17 0 "[ . 1 . 2]" 2 141 1 111 ALA O 1 127 TYR H 2.200 . 2.600 2.240 2.152 2.511 . 0 0 "[ . 1 . 2]" 2 142 1 111 ALA O 1 127 TYR N 3.100 2.600 3.500 3.127 3.015 3.359 . 0 0 "[ . 1 . 2]" 2 143 1 113 LEU H 1 125 PHE O 2.200 . 2.600 2.080 2.020 2.166 . 0 0 "[ . 1 . 2]" 2 144 1 113 LEU N 1 125 PHE O 3.100 2.600 3.500 2.994 2.922 3.057 . 0 0 "[ . 1 . 2]" 2 145 1 113 LEU O 1 125 PHE H 2.200 . 2.600 2.289 2.231 2.370 . 0 0 "[ . 1 . 2]" 2 146 1 113 LEU O 1 125 PHE N 3.100 2.600 3.500 3.245 3.190 3.326 . 0 0 "[ . 1 . 2]" 2 147 1 115 PHE H 1 123 LEU O 2.200 . 2.600 2.159 2.088 2.289 . 0 0 "[ . 1 . 2]" 2 148 1 115 PHE N 1 123 LEU O 3.100 2.600 3.500 3.106 3.034 3.223 . 0 0 "[ . 1 . 2]" 2 149 1 115 PHE O 1 123 LEU H 2.200 . 2.600 2.165 2.034 2.272 . 0 0 "[ . 1 . 2]" 2 150 1 115 PHE O 1 123 LEU N 3.100 2.600 3.500 3.118 2.967 3.230 . 0 0 "[ . 1 . 2]" 2 151 1 122 ALA H 1 145 GLY O 2.200 . 2.600 2.196 2.132 2.264 . 0 0 "[ . 1 . 2]" 2 152 1 122 ALA N 1 145 GLY O 3.100 2.600 3.500 3.158 3.094 3.229 . 0 0 "[ . 1 . 2]" 2 153 1 122 ALA O 1 145 GLY H 2.200 . 2.600 2.133 2.057 2.184 . 0 0 "[ . 1 . 2]" 2 154 1 122 ALA O 1 145 GLY N 3.100 2.600 3.500 3.051 2.961 3.100 . 0 0 "[ . 1 . 2]" 2 155 1 124 ASP H 1 143 GLY O 2.200 . 2.600 2.124 2.078 2.193 . 0 0 "[ . 1 . 2]" 2 156 1 124 ASP N 1 143 GLY O 3.100 2.600 3.500 3.083 3.034 3.153 . 0 0 "[ . 1 . 2]" 2 157 1 124 ASP O 1 143 GLY H 2.200 . 2.600 2.286 2.186 2.381 . 0 0 "[ . 1 . 2]" 2 158 1 124 ASP O 1 143 GLY N 3.100 2.600 3.500 3.204 3.100 3.318 . 0 0 "[ . 1 . 2]" 2 159 1 126 SER H 1 141 ILE O 2.200 . 2.600 2.390 2.153 2.723 0.123 8 0 "[ . 1 . 2]" 2 160 1 126 SER N 1 141 ILE O 3.100 2.600 3.500 3.330 3.080 3.648 0.148 8 0 "[ . 1 . 2]" 2 161 1 126 SER O 1 141 ILE H 2.200 . 2.600 2.579 2.154 2.934 0.334 8 0 "[ . 1 . 2]" 2 162 1 126 SER O 1 141 ILE N 3.100 2.600 3.500 3.536 3.060 3.898 0.398 8 0 "[ . 1 . 2]" 2 163 1 130 SER H 1 137 VAL O 2.200 . 2.600 2.146 2.100 2.191 . 0 0 "[ . 1 . 2]" 2 164 1 130 SER N 1 137 VAL O 3.100 2.600 3.500 3.099 3.041 3.151 . 0 0 "[ . 1 . 2]" 2 165 1 130 SER O 1 137 VAL H 2.200 . 2.600 2.177 2.076 2.229 . 0 0 "[ . 1 . 2]" 2 166 1 130 SER O 1 137 VAL N 3.100 2.600 3.500 3.143 3.028 3.200 . 0 0 "[ . 1 . 2]" 2 167 1 132 ILE H 1 135 VAL O 2.200 . 2.600 2.229 2.135 2.427 . 0 0 "[ . 1 . 2]" 2 168 1 132 ILE N 1 135 VAL O 3.100 2.600 3.500 3.201 3.104 3.412 . 0 0 "[ . 1 . 2]" 2 169 1 132 ILE O 1 135 VAL H 2.200 . 2.600 2.112 1.895 2.219 . 0 0 "[ . 1 . 2]" 2 170 1 132 ILE O 1 135 VAL N 3.100 2.600 3.500 3.034 2.861 3.144 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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