NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
518841 | 2lhf | 17842 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lhf 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 199 _Distance_constraint_stats_list.Viol_count 1164 _Distance_constraint_stats_list.Viol_total 607.692 _Distance_constraint_stats_list.Viol_max 0.166 _Distance_constraint_stats_list.Viol_rms 0.0201 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0076 _Distance_constraint_stats_list.Viol_average_violations_only 0.0261 _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 ASP 0.820 0.073 6 0 "[ . 1 . 2]" 1 3 ASN 0.348 0.047 4 0 "[ . 1 . 2]" 1 4 PHE 0.276 0.030 15 0 "[ . 1 . 2]" 1 5 VAL 1.290 0.084 3 0 "[ . 1 . 2]" 1 6 GLY 0.956 0.102 18 0 "[ . 1 . 2]" 1 7 LEU 0.002 0.002 7 0 "[ . 1 . 2]" 1 8 THR 0.031 0.009 15 0 "[ . 1 . 2]" 1 9 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 GLY 0.012 0.010 3 0 "[ . 1 . 2]" 1 11 GLU 0.190 0.031 13 0 "[ . 1 . 2]" 1 12 THR 0.041 0.008 4 0 "[ . 1 . 2]" 1 13 SER 0.322 0.017 13 0 "[ . 1 . 2]" 1 14 ASN 0.322 0.017 13 0 "[ . 1 . 2]" 1 31 LEU 0.002 0.002 20 0 "[ . 1 . 2]" 1 32 ASP 0.003 0.002 20 0 "[ . 1 . 2]" 1 33 LYS 0.001 0.001 3 0 "[ . 1 . 2]" 1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ILE 0.071 0.069 2 0 "[ . 1 . 2]" 1 36 ASP 0.094 0.069 2 0 "[ . 1 . 2]" 1 37 ASN 0.023 0.023 1 0 "[ . 1 . 2]" 1 38 THR 0.006 0.004 9 0 "[ . 1 . 2]" 1 39 GLY 0.148 0.011 4 0 "[ . 1 . 2]" 1 40 THR 0.003 0.003 20 0 "[ . 1 . 2]" 1 41 TRP 0.010 0.010 3 0 "[ . 1 . 2]" 1 42 GLY 0.010 0.006 5 0 "[ . 1 . 2]" 1 43 ILE 0.020 0.009 15 0 "[ . 1 . 2]" 1 44 ARG 1.372 0.122 4 0 "[ . 1 . 2]" 1 45 ALA 2.073 0.122 4 0 "[ . 1 . 2]" 1 46 GLY 0.902 0.066 4 0 "[ . 1 . 2]" 1 47 GLN 0.082 0.019 13 0 "[ . 1 . 2]" 1 48 GLN 0.310 0.071 7 0 "[ . 1 . 2]" 1 49 PHE 1.047 0.073 6 0 "[ . 1 . 2]" 1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 GLN 0.124 0.036 9 0 "[ . 1 . 2]" 1 52 GLY 0.392 0.034 17 0 "[ . 1 . 2]" 1 53 ARG 0.460 0.071 11 0 "[ . 1 . 2]" 1 54 TYR 0.458 0.071 7 0 "[ . 1 . 2]" 1 55 TYR 0.798 0.108 7 0 "[ . 1 . 2]" 1 56 ALA 0.984 0.108 7 0 "[ . 1 . 2]" 1 57 THR 0.510 0.064 12 0 "[ . 1 . 2]" 1 58 TYR 0.580 0.064 12 0 "[ . 1 . 2]" 1 59 GLU 0.275 0.026 5 0 "[ . 1 . 2]" 1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 SER 0.106 0.011 4 0 "[ . 1 . 2]" 1 63 ASP 0.005 0.005 1 0 "[ . 1 . 2]" 1 73 GLN 0.017 0.007 13 0 "[ . 1 . 2]" 1 74 ASN 0.191 0.020 19 0 "[ . 1 . 2]" 1 75 LEU 0.256 0.027 13 0 "[ . 1 . 2]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 GLY 0.068 0.014 9 0 "[ . 1 . 2]" 1 78 SER 0.210 0.038 5 0 "[ . 1 . 2]" 1 79 TYR 0.081 0.021 14 0 "[ . 1 . 2]" 1 80 ASP 0.058 0.023 11 0 "[ . 1 . 2]" 1 81 ALA 0.901 0.071 11 0 "[ . 1 . 2]" 1 82 PHE 1.694 0.064 8 0 "[ . 1 . 2]" 1 83 LEU 0.267 0.037 2 0 "[ . 1 . 2]" 1 85 ILE 0.880 0.058 6 0 "[ . 1 . 2]" 1 86 GLY 0.250 0.036 3 0 "[ . 1 . 2]" 1 87 ASP 0.110 0.020 6 0 "[ . 1 . 2]" 1 88 ASN 0.143 0.030 9 0 "[ . 1 . 2]" 1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 THR 0.571 0.058 6 0 "[ . 1 . 2]" 1 91 LYS 2.571 0.139 3 0 "[ . 1 . 2]" 1 92 LEU 3.121 0.148 8 0 "[ . 1 . 2]" 1 93 PHE 2.781 0.148 8 0 "[ . 1 . 2]" 1 94 GLY 1.234 0.064 8 0 "[ . 1 . 2]" 1 95 GLY 0.191 0.026 9 0 "[ . 1 . 2]" 1 96 ALA 0.072 0.010 2 0 "[ . 1 . 2]" 1 97 THR 0.060 0.021 14 0 "[ . 1 . 2]" 1 98 LEU 0.589 0.051 8 0 "[ . 1 . 2]" 1 99 GLY 0.730 0.076 7 0 "[ . 1 . 2]" 1 100 LEU 1.424 0.133 7 0 "[ . 1 . 2]" 1 101 VAL 0.917 0.133 7 0 "[ . 1 . 2]" 1 102 LYS 0.044 0.016 19 0 "[ . 1 . 2]" 1 103 LEU 0.032 0.016 19 0 "[ . 1 . 2]" 1 106 ASP 0.031 0.029 19 0 "[ . 1 . 2]" 1 107 GLY 0.031 0.029 19 0 "[ . 1 . 2]" 1 114 SER 0.082 0.070 18 0 "[ . 1 . 2]" 1 115 ASP 0.137 0.070 18 0 "[ . 1 . 2]" 1 116 VAL 0.050 0.025 15 0 "[ . 1 . 2]" 1 117 GLY 0.063 0.027 7 0 "[ . 1 . 2]" 1 118 TYR 0.082 0.015 15 0 "[ . 1 . 2]" 1 119 ALA 0.006 0.003 17 0 "[ . 1 . 2]" 1 120 ALA 0.062 0.014 15 0 "[ . 1 . 2]" 1 121 GLY 0.110 0.019 14 0 "[ . 1 . 2]" 1 122 LEU 0.346 0.033 16 0 "[ . 1 . 2]" 1 123 GLN 0.347 0.033 16 0 "[ . 1 . 2]" 1 124 ALA 2.321 0.107 6 0 "[ . 1 . 2]" 1 125 GLY 2.151 0.107 6 0 "[ . 1 . 2]" 1 126 ILE 2.120 0.139 3 0 "[ . 1 . 2]" 1 127 LEU 0.506 0.051 11 0 "[ . 1 . 2]" 1 128 GLN 1.069 0.062 10 0 "[ . 1 . 2]" 1 129 GLU 0.109 0.018 20 0 "[ . 1 . 2]" 1 130 LEU 1.056 0.053 17 0 "[ . 1 . 2]" 1 131 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 ASN 0.662 0.053 17 0 "[ . 1 . 2]" 1 134 ALA 0.333 0.035 13 0 "[ . 1 . 2]" 1 135 SER 0.082 0.017 6 0 "[ . 1 . 2]" 1 136 ILE 0.720 0.053 17 0 "[ . 1 . 2]" 1 137 GLU 1.089 0.055 13 0 "[ . 1 . 2]" 1 138 GLY 0.036 0.017 15 0 "[ . 1 . 2]" 1 139 GLY 1.213 0.099 7 0 "[ . 1 . 2]" 1 140 TYR 0.125 0.023 4 0 "[ . 1 . 2]" 1 141 ARG 0.381 0.039 8 0 "[ . 1 . 2]" 1 142 TYR 0.078 0.022 13 0 "[ . 1 . 2]" 1 143 LEU 0.092 0.022 13 0 "[ . 1 . 2]" 1 144 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 146 ASN 0.048 0.019 17 0 "[ . 1 . 2]" 1 147 ALA 0.130 0.019 17 0 "[ . 1 . 2]" 1 167 SER 0.029 0.007 16 0 "[ . 1 . 2]" 1 169 GLN 0.119 0.018 1 0 "[ . 1 . 2]" 1 170 PHE 2.400 0.166 16 0 "[ . 1 . 2]" 1 171 TYR 3.274 0.166 16 0 "[ . 1 . 2]" 1 172 LEU 1.879 0.125 2 0 "[ . 1 . 2]" 1 173 GLY 0.459 0.055 13 0 "[ . 1 . 2]" 1 174 ALA 0.264 0.034 11 0 "[ . 1 . 2]" 1 175 ASN 0.165 0.033 20 0 "[ . 1 . 2]" 1 176 TYR 0.247 0.033 20 0 "[ . 1 . 2]" 1 177 LYS 0.831 0.084 3 0 "[ . 1 . 2]" 1 178 PHE 0.492 0.047 4 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 1 126 ILE H 1 127 LEU H 1.800 . 3.960 3.974 3.959 3.989 0.029 14 0 "[ . 1 . 2]" 1 2 1 3 ASN H 1 178 PHE H 1.800 . 3.770 3.784 3.725 3.817 0.047 4 0 "[ . 1 . 2]" 1 3 1 9 TRP H 1 10 GLY H 1.800 . 4.720 4.115 3.935 4.305 . 0 0 "[ . 1 . 2]" 1 4 1 13 SER H 1 14 ASN H 1.800 . 3.770 3.786 3.784 3.787 0.017 13 0 "[ . 1 . 2]" 1 5 1 39 GLY H 1 40 THR H 1.800 . 4.660 4.093 2.532 4.477 . 0 0 "[ . 1 . 2]" 1 6 1 38 THR H 1 39 GLY H 1.800 . 4.440 3.597 2.199 4.444 0.004 9 0 "[ . 1 . 2]" 1 7 1 41 TRP H 1 42 GLY H 1.800 . 4.680 4.354 3.957 4.551 . 0 0 "[ . 1 . 2]" 1 8 1 45 ALA H 1 56 ALA H 1.800 . 3.110 3.006 2.664 3.139 0.029 5 0 "[ . 1 . 2]" 1 9 1 45 ALA H 1 46 GLY H 1.800 . 3.920 3.919 3.830 3.940 0.020 1 0 "[ . 1 . 2]" 1 10 1 2 ASP H 1 48 GLN H 1.800 . 3.520 2.840 2.349 3.307 . 0 0 "[ . 1 . 2]" 1 11 1 49 PHE H 1 51 GLN H 1.800 . 4.710 4.617 3.875 4.746 0.036 9 0 "[ . 1 . 2]" 1 12 1 49 PHE H 1 52 GLY H 1.800 . 3.920 3.651 3.047 3.946 0.026 4 0 "[ . 1 . 2]" 1 13 1 50 GLU H 1 52 GLY H 1.800 . 4.920 4.085 3.603 4.394 . 0 0 "[ . 1 . 2]" 1 14 1 51 GLN H 1 52 GLY H 1.800 . 3.750 2.331 1.856 2.721 . 0 0 "[ . 1 . 2]" 1 15 1 52 GLY H 1 53 ARG H 1.800 . 4.710 4.293 3.810 4.638 . 0 0 "[ . 1 . 2]" 1 16 1 53 ARG H 1 81 ALA H 1.800 . 4.720 4.735 4.655 4.791 0.071 11 0 "[ . 1 . 2]" 1 17 1 53 ARG H 1 54 TYR H 1.800 . 4.650 4.261 3.297 4.447 . 0 0 "[ . 1 . 2]" 1 18 1 62 SER H 1 63 ASP H 1.800 . 4.530 3.504 2.048 4.535 0.005 1 0 "[ . 1 . 2]" 1 19 1 73 GLN H 1 102 LYS H 1.800 . 3.630 3.481 3.170 3.637 0.007 13 0 "[ . 1 . 2]" 1 20 1 59 GLU H 1 75 LEU H 1.800 . 5.010 4.912 4.447 5.020 0.010 13 0 "[ . 1 . 2]" 1 21 1 57 THR H 1 76 LEU H 1.800 . 3.280 2.964 2.632 3.229 . 0 0 "[ . 1 . 2]" 1 22 1 77 GLY H 1 99 GLY H 1.800 . 5.040 4.445 3.927 4.752 . 0 0 "[ . 1 . 2]" 1 23 1 80 ASP H 1 81 ALA H 1.800 . 4.580 4.443 4.400 4.487 . 0 0 "[ . 1 . 2]" 1 24 1 85 ILE H 1 91 LYS H 1.800 . 5.130 4.969 4.520 5.149 0.019 8 0 "[ . 1 . 2]" 1 25 1 83 LEU H 1 85 ILE H 1.800 . 5.370 5.243 4.703 5.407 0.037 2 0 "[ . 1 . 2]" 1 26 1 88 ASN H 1 90 THR H 1.800 . 3.970 3.480 2.401 4.000 0.030 9 0 "[ . 1 . 2]" 1 27 1 89 ASN H 1 90 THR H 1.800 . 3.280 2.302 1.918 3.125 . 0 0 "[ . 1 . 2]" 1 28 1 85 ILE H 1 90 THR H 1.800 . 4.370 4.288 3.631 4.428 0.058 6 0 "[ . 1 . 2]" 1 29 1 91 LYS H 1 126 ILE H 1.800 . 5.000 5.089 5.062 5.139 0.139 3 0 "[ . 1 . 2]" 1 30 1 95 GLY H 1 124 ALA H 1.800 . 5.030 5.022 4.896 5.056 0.026 9 0 "[ . 1 . 2]" 1 31 1 97 THR H 1 98 LEU H 1.800 . 4.490 4.413 4.342 4.491 0.001 12 0 "[ . 1 . 2]" 1 32 1 99 GLY H 1 100 LEU H 1.800 . 4.190 4.182 3.909 4.266 0.076 7 0 "[ . 1 . 2]" 1 33 1 103 LEU H 1 115 ASP H 1.800 . 3.850 3.477 2.187 3.853 0.003 6 0 "[ . 1 . 2]" 1 34 1 115 ASP H 1 116 VAL H 1.800 . 3.570 3.066 2.473 3.595 0.025 15 0 "[ . 1 . 2]" 1 35 1 97 THR H 1 121 GLY H 1.800 . 3.150 2.724 2.579 2.882 . 0 0 "[ . 1 . 2]" 1 36 1 95 GLY H 1 123 GLN H 1.800 . 3.090 2.878 2.720 3.037 . 0 0 "[ . 1 . 2]" 1 37 1 125 GLY H 1 126 ILE H 1.800 . 4.160 3.997 3.858 4.200 0.040 12 0 "[ . 1 . 2]" 1 38 1 94 GLY H 1 125 GLY H 1.800 . 4.930 4.940 4.799 4.972 0.042 12 0 "[ . 1 . 2]" 1 39 1 128 GLN H 1 136 ILE H 1.800 . 3.380 3.329 3.088 3.397 0.017 9 0 "[ . 1 . 2]" 1 40 1 128 GLN H 1 129 GLU H 1.800 . 4.580 4.449 4.332 4.581 0.001 2 0 "[ . 1 . 2]" 1 41 1 130 LEU H 1 131 SER H 1.800 . 3.290 2.051 1.940 2.188 . 0 0 "[ . 1 . 2]" 1 42 1 130 LEU H 1 134 ALA H 1.800 . 4.370 4.367 4.172 4.405 0.035 13 0 "[ . 1 . 2]" 1 43 1 131 SER H 1 133 ASN H 1.800 . 4.890 3.539 3.463 3.641 . 0 0 "[ . 1 . 2]" 1 44 1 130 LEU H 1 133 ASN H 1.800 . 4.970 5.000 4.934 5.023 0.053 17 0 "[ . 1 . 2]" 1 45 1 133 ASN H 1 134 ALA H 1.800 . 3.800 2.116 1.877 2.461 . 0 0 "[ . 1 . 2]" 1 46 1 134 ALA H 1 135 SER H 1.800 . 5.460 4.357 3.932 4.536 . 0 0 "[ . 1 . 2]" 1 47 1 135 SER H 1 176 TYR H 1.800 . 5.000 4.961 4.830 5.017 0.017 6 0 "[ . 1 . 2]" 1 48 1 137 GLU H 1 173 GLY H 1.800 . 3.140 3.116 2.843 3.195 0.055 13 0 "[ . 1 . 2]" 1 49 1 137 GLU H 1 138 GLY H 1.800 . 4.710 4.421 4.259 4.494 . 0 0 "[ . 1 . 2]" 1 50 1 138 GLY H 1 139 GLY H 1.800 . 4.470 4.194 3.877 4.403 . 0 0 "[ . 1 . 2]" 1 51 1 125 GLY H 1 140 TYR H 1.800 . 5.000 4.823 4.667 4.973 . 0 0 "[ . 1 . 2]" 1 52 1 141 ARG H 1 169 GLN H 1.800 . 3.350 3.260 2.624 3.368 0.018 1 0 "[ . 1 . 2]" 1 53 1 141 ARG H 1 170 PHE H 1.800 . 5.160 4.825 4.460 5.169 0.009 13 0 "[ . 1 . 2]" 1 54 1 143 LEU H 1 167 SER H 1.800 . 3.550 3.424 3.012 3.557 0.007 16 0 "[ . 1 . 2]" 1 55 1 142 TYR H 1 143 LEU H 1.800 . 4.490 4.319 3.880 4.512 0.022 13 0 "[ . 1 . 2]" 1 56 1 143 LEU H 1 144 ARG H 1.800 . 4.460 4.368 4.267 4.436 . 0 0 "[ . 1 . 2]" 1 57 1 169 GLN H 1 170 PHE H 1.800 . 4.660 4.414 4.352 4.513 . 0 0 "[ . 1 . 2]" 1 58 1 171 TYR H 1 172 LEU H 1.800 . 4.240 4.273 4.188 4.365 0.125 2 0 "[ . 1 . 2]" 1 59 1 139 GLY H 1 171 TYR H 1.800 . 3.090 2.961 2.694 3.105 0.015 9 0 "[ . 1 . 2]" 1 60 1 139 GLY H 1 172 LEU H 1.800 . 4.240 4.298 4.279 4.339 0.099 7 0 "[ . 1 . 2]" 1 61 1 176 TYR H 1 177 LYS H 1.800 . 4.370 4.261 3.999 4.361 . 0 0 "[ . 1 . 2]" 1 62 1 5 VAL H 1 177 LYS H 1.800 . 4.260 4.302 4.267 4.344 0.084 3 0 "[ . 1 . 2]" 1 63 1 32 ASP H 1 33 LYS H 1.800 . 3.710 2.721 1.996 3.711 0.001 3 0 "[ . 1 . 2]" 1 64 1 87 ASP H 1 90 THR H 1.800 . 4.610 3.725 2.755 4.490 . 0 0 "[ . 1 . 2]" 1 65 1 87 ASP H 1 88 ASN H 1.800 . 3.720 2.469 1.986 2.869 . 0 0 "[ . 1 . 2]" 1 66 1 3 ASN H 1 48 GLN H 1.800 . 5.500 4.349 4.102 5.069 . 0 0 "[ . 1 . 2]" 1 67 1 39 GLY H 1 62 SER H 1.800 . 5.380 5.360 5.102 5.391 0.011 4 0 "[ . 1 . 2]" 1 68 1 48 GLN H 1 54 TYR H 1.800 . 4.540 4.538 4.333 4.611 0.071 7 0 "[ . 1 . 2]" 1 69 1 85 ILE H 1 92 LEU H 1.800 . 4.420 3.290 2.766 4.042 . 0 0 "[ . 1 . 2]" 1 70 1 91 LYS H 1 92 LEU H 1.800 . 4.480 3.846 3.782 4.013 . 0 0 "[ . 1 . 2]" 1 71 1 92 LEU H 1 127 LEU H 1.800 . 4.450 4.438 4.354 4.501 0.051 11 0 "[ . 1 . 2]" 1 72 1 78 SER H 1 98 LEU H 1.800 . 4.800 4.720 4.295 4.838 0.038 5 0 "[ . 1 . 2]" 1 73 1 102 LYS H 1 103 LEU H 1.800 . 4.430 4.381 4.245 4.446 0.016 19 0 "[ . 1 . 2]" 1 74 1 106 ASP H 1 107 GLY H 1.800 . 4.420 3.813 2.006 4.449 0.029 19 0 "[ . 1 . 2]" 1 75 1 123 GLN H 1 124 ALA H 1.800 . 4.510 4.383 4.311 4.437 . 0 0 "[ . 1 . 2]" 1 76 1 124 ALA H 1 125 GLY H 1.800 . 4.030 4.118 4.110 4.137 0.107 6 0 "[ . 1 . 2]" 1 77 1 126 ILE H 1 139 GLY H 1.800 . 5.210 4.912 4.597 5.067 . 0 0 "[ . 1 . 2]" 1 78 1 118 TYR H 1 146 ASN H 1.800 . 3.870 3.365 2.787 3.826 . 0 0 "[ . 1 . 2]" 1 79 1 4 PHE H 1 5 VAL H 1.800 . 4.760 4.396 4.363 4.464 . 0 0 "[ . 1 . 2]" 1 80 1 4 PHE H 1 48 GLN H 1.800 . 4.520 4.023 3.636 4.526 0.006 4 0 "[ . 1 . 2]" 1 81 1 5 VAL H 1 176 TYR H 1.800 . 3.260 3.005 2.469 3.229 . 0 0 "[ . 1 . 2]" 1 82 1 5 VAL H 1 6 GLY H 1.800 . 4.410 4.157 4.025 4.314 . 0 0 "[ . 1 . 2]" 1 83 1 7 LEU H 1 174 ALA H 1.800 . 3.370 2.891 2.084 3.372 0.002 7 0 "[ . 1 . 2]" 1 84 1 6 GLY H 1 7 LEU H 1.800 . 4.900 4.131 3.952 4.304 . 0 0 "[ . 1 . 2]" 1 85 1 7 LEU H 1 8 THR H 1.800 . 4.600 4.429 4.282 4.484 . 0 0 "[ . 1 . 2]" 1 86 1 8 THR H 1 9 TRP H 1.800 . 4.790 4.389 4.187 4.554 . 0 0 "[ . 1 . 2]" 1 87 1 8 THR H 1 43 ILE H 1.800 . 4.800 4.556 3.779 4.809 0.009 15 0 "[ . 1 . 2]" 1 88 1 10 GLY H 1 41 TRP H 1.800 . 4.960 4.797 4.442 4.970 0.010 3 0 "[ . 1 . 2]" 1 89 1 11 GLU H 1 170 PHE H 1.800 . 3.460 3.161 2.458 3.482 0.022 13 0 "[ . 1 . 2]" 1 90 1 31 LEU H 1 32 ASP H 1.800 . 4.330 3.593 2.030 4.332 0.002 20 0 "[ . 1 . 2]" 1 91 1 34 VAL H 1 35 ILE H 1.800 . 3.880 2.847 1.984 3.874 . 0 0 "[ . 1 . 2]" 1 92 1 35 ILE H 1 36 ASP H 1.800 . 4.260 3.553 1.968 4.329 0.069 2 0 "[ . 1 . 2]" 1 93 1 36 ASP H 1 37 ASN H 1.800 . 4.290 3.184 1.998 4.313 0.023 1 0 "[ . 1 . 2]" 1 94 1 40 THR H 1 41 TRP H 1.800 . 4.900 4.238 3.946 4.463 . 0 0 "[ . 1 . 2]" 1 95 1 10 GLY H 1 40 THR H 1.800 . 3.720 3.161 2.605 3.723 0.003 20 0 "[ . 1 . 2]" 1 96 1 41 TRP H 1 60 ASN H 1.800 . 5.500 4.269 3.097 5.383 . 0 0 "[ . 1 . 2]" 1 97 1 8 THR H 1 42 GLY H 1.800 . 3.410 3.212 2.861 3.416 0.006 5 0 "[ . 1 . 2]" 1 98 1 42 GLY H 1 43 ILE H 1.800 . 4.760 4.347 4.313 4.390 . 0 0 "[ . 1 . 2]" 1 99 1 6 GLY H 1 44 ARG H 1.800 . 3.110 3.118 3.049 3.144 0.034 18 0 "[ . 1 . 2]" 1 100 1 6 GLY H 1 45 ALA H 1.800 . 4.170 4.205 4.186 4.272 0.102 18 0 "[ . 1 . 2]" 1 101 1 4 PHE H 1 46 GLY H 1.800 . 3.110 3.123 3.111 3.140 0.030 15 0 "[ . 1 . 2]" 1 102 1 5 VAL H 1 46 GLY H 1.800 . 4.770 4.771 4.631 4.836 0.066 4 0 "[ . 1 . 2]" 1 103 1 46 GLY H 1 56 ALA H 1.800 . 4.640 4.485 4.050 4.676 0.036 8 0 "[ . 1 . 2]" 1 104 1 47 GLN H 1 54 TYR H 1.800 . 3.420 3.172 2.299 3.439 0.019 13 0 "[ . 1 . 2]" 1 105 1 47 GLN H 1 48 GLN H 1.800 . 4.460 4.252 4.051 4.433 . 0 0 "[ . 1 . 2]" 1 106 1 48 GLN H 1 49 PHE H 1.800 . 5.430 4.382 4.085 4.592 . 0 0 "[ . 1 . 2]" 1 107 1 2 ASP H 1 49 PHE H 1.800 . 4.110 4.143 3.953 4.183 0.073 6 0 "[ . 1 . 2]" 1 108 1 52 GLY H 1 82 PHE H 1.800 . 4.780 4.716 3.689 4.814 0.034 17 0 "[ . 1 . 2]" 1 109 1 55 TYR H 1 56 ALA H 1.800 . 3.920 3.857 2.126 4.028 0.108 7 0 "[ . 1 . 2]" 1 110 1 6 GLY H 1 176 TYR H 1.800 . 4.890 4.093 3.926 4.345 . 0 0 "[ . 1 . 2]" 1 111 1 12 THR H 1 39 GLY H 1.800 . 4.760 4.741 4.630 4.768 0.008 4 0 "[ . 1 . 2]" 1 112 1 46 GLY H 1 47 GLN H 1.800 . 4.340 4.131 3.949 4.343 0.003 20 0 "[ . 1 . 2]" 1 113 1 54 TYR H 1 55 TYR H 1.800 . 4.540 4.498 4.418 4.575 0.035 9 0 "[ . 1 . 2]" 1 114 1 56 ALA H 1 57 THR H 1.800 . 4.690 4.524 4.338 4.589 . 0 0 "[ . 1 . 2]" 1 115 1 57 THR H 1 58 TYR H 1.800 . 4.170 4.193 4.122 4.234 0.064 12 0 "[ . 1 . 2]" 1 116 1 43 ILE H 1 58 TYR H 1.800 . 3.210 2.729 2.435 3.144 . 0 0 "[ . 1 . 2]" 1 117 1 59 GLU H 1 74 ASN H 1.800 . 3.250 3.254 3.188 3.270 0.020 19 0 "[ . 1 . 2]" 1 118 1 58 TYR H 1 59 GLU H 1.800 . 4.470 4.378 4.144 4.496 0.026 5 0 "[ . 1 . 2]" 1 119 1 75 LEU H 1 100 LEU H 1.800 . 3.260 3.248 3.034 3.287 0.027 13 0 "[ . 1 . 2]" 1 120 1 74 ASN H 1 75 LEU H 1.800 . 4.210 4.147 3.989 4.230 0.020 19 0 "[ . 1 . 2]" 1 121 1 76 LEU H 1 100 LEU H 1.800 . 5.500 4.871 4.588 5.093 . 0 0 "[ . 1 . 2]" 1 122 1 76 LEU H 1 77 GLY H 1.800 . 4.880 4.349 3.981 4.484 . 0 0 "[ . 1 . 2]" 1 123 1 55 TYR H 1 78 SER H 1.800 . 3.570 3.239 2.607 3.582 0.012 5 0 "[ . 1 . 2]" 1 124 1 77 GLY H 1 78 SER H 1.800 . 4.610 4.278 3.953 4.359 . 0 0 "[ . 1 . 2]" 1 125 1 53 ARG H 1 80 ASP H 1.800 . 3.350 3.207 2.637 3.373 0.023 11 0 "[ . 1 . 2]" 1 126 1 81 ALA H 1 94 GLY H 1.800 . 3.040 2.412 2.215 2.670 . 0 0 "[ . 1 . 2]" 1 127 1 81 ALA H 1 82 PHE H 1.800 . 4.270 4.290 4.188 4.331 0.061 12 0 "[ . 1 . 2]" 1 128 1 82 PHE H 1 94 GLY H 1.800 . 4.660 4.705 4.670 4.724 0.064 8 0 "[ . 1 . 2]" 1 129 1 82 PHE H 1 83 LEU H 1.800 . 5.000 4.557 4.524 4.573 . 0 0 "[ . 1 . 2]" 1 130 1 85 ILE H 1 86 GLY H 1.800 . 4.070 4.068 3.867 4.106 0.036 3 0 "[ . 1 . 2]" 1 131 1 85 ILE H 1 87 ASP H 1.800 . 4.950 4.641 4.014 4.970 0.020 6 0 "[ . 1 . 2]" 1 132 1 86 GLY H 1 87 ASP H 1.800 . 4.750 3.453 2.723 4.002 . 0 0 "[ . 1 . 2]" 1 133 1 90 THR H 1 91 LYS H 1.800 . 4.880 4.501 4.199 4.657 . 0 0 "[ . 1 . 2]" 1 134 1 37 ASN H 1 38 THR H 1.800 . 4.950 3.633 2.004 4.534 . 0 0 "[ . 1 . 2]" 1 135 1 101 VAL H 1 102 LYS H 1.800 . 4.540 4.431 4.293 4.515 . 0 0 "[ . 1 . 2]" 1 136 1 101 VAL H 1 117 GLY H 1.800 . 3.270 3.184 2.856 3.297 0.027 7 0 "[ . 1 . 2]" 1 137 1 100 LEU H 1 101 VAL H 1.800 . 4.080 4.123 4.089 4.213 0.133 7 0 "[ . 1 . 2]" 1 138 1 98 LEU H 1 99 GLY H 1.800 . 4.130 4.136 4.005 4.181 0.051 8 0 "[ . 1 . 2]" 1 139 1 99 GLY H 1 119 ALA H 1.800 . 3.330 3.156 2.888 3.333 0.003 17 0 "[ . 1 . 2]" 1 140 1 77 GLY H 1 98 LEU H 1.800 . 3.170 2.955 2.409 3.184 0.014 9 0 "[ . 1 . 2]" 1 141 1 79 TYR H 1 97 THR H 1.800 . 5.000 4.881 4.534 5.021 0.021 14 0 "[ . 1 . 2]" 1 142 1 96 ALA H 1 123 GLN H 1.800 . 4.860 4.817 4.585 4.868 0.008 6 0 "[ . 1 . 2]" 1 143 1 96 ALA H 1 97 THR H 1.800 . 5.500 4.456 4.403 4.531 . 0 0 "[ . 1 . 2]" 1 144 1 79 TYR H 1 96 ALA H 1.800 . 3.560 3.430 3.105 3.570 0.010 2 0 "[ . 1 . 2]" 1 145 1 95 GLY H 1 96 ALA H 1.800 . 4.360 4.129 3.986 4.324 . 0 0 "[ . 1 . 2]" 1 146 1 81 ALA H 1 95 GLY H 1.800 . 4.810 4.659 4.476 4.805 . 0 0 "[ . 1 . 2]" 1 147 1 94 GLY H 1 95 GLY H 1.800 . 5.180 4.175 3.984 4.420 . 0 0 "[ . 1 . 2]" 1 148 1 93 PHE H 1 94 GLY H 1.800 . 4.730 4.503 4.330 4.531 . 0 0 "[ . 1 . 2]" 1 149 1 92 LEU H 1 93 PHE H 1.800 . 4.110 4.249 4.231 4.258 0.148 8 0 "[ . 1 . 2]" 1 150 1 83 LEU H 1 92 LEU H 1.800 . 3.240 3.172 2.922 3.264 0.024 7 0 "[ . 1 . 2]" 1 151 1 91 LYS H 1 128 GLN H 1.800 . 4.310 4.346 4.321 4.372 0.062 10 0 "[ . 1 . 2]" 1 152 1 91 LYS H 1 127 LEU H 1.800 . 3.520 1.987 1.879 2.130 . 0 0 "[ . 1 . 2]" 1 153 1 114 SER H 1 115 ASP H 1.800 . 4.290 3.409 1.999 4.360 0.070 18 0 "[ . 1 . 2]" 1 154 1 116 VAL H 1 117 GLY H 1.800 . 4.630 4.253 3.706 4.596 . 0 0 "[ . 1 . 2]" 1 155 1 117 GLY H 1 118 TYR H 1.800 . 4.860 4.364 4.135 4.570 . 0 0 "[ . 1 . 2]" 1 156 1 120 ALA H 1 121 GLY H 1.800 . 4.180 4.160 4.071 4.194 0.014 15 0 "[ . 1 . 2]" 1 157 1 98 LEU H 1 121 GLY H 1.800 . 5.160 4.928 4.565 5.171 0.011 7 0 "[ . 1 . 2]" 1 158 1 122 LEU H 1 123 GLN H 1.800 . 4.380 4.394 4.371 4.413 0.033 16 0 "[ . 1 . 2]" 1 159 1 93 PHE H 1 125 GLY H 1.800 . 3.050 2.752 2.627 2.934 . 0 0 "[ . 1 . 2]" 1 160 1 127 LEU H 1 128 GLN H 1.800 . 4.580 4.332 4.283 4.379 . 0 0 "[ . 1 . 2]" 1 161 1 127 LEU H 1 138 GLY H 1.800 . 5.010 4.948 4.782 5.027 0.017 15 0 "[ . 1 . 2]" 1 162 1 90 THR H 1 129 GLU H 1.800 . 5.180 5.087 4.817 5.198 0.018 20 0 "[ . 1 . 2]" 1 163 1 131 SER H 1 134 ALA H 1.800 . 4.180 3.487 3.260 3.833 . 0 0 "[ . 1 . 2]" 1 164 1 135 SER H 1 175 ASN H 1.800 . 3.610 2.932 2.699 3.334 . 0 0 "[ . 1 . 2]" 1 165 1 136 ILE H 1 137 GLU H 1.800 . 4.290 4.320 4.292 4.343 0.053 17 0 "[ . 1 . 2]" 1 166 1 136 ILE H 1 175 ASN H 1.800 . 5.390 4.656 4.391 4.934 . 0 0 "[ . 1 . 2]" 1 167 1 128 GLN H 1 137 GLU H 1.800 . 4.700 4.675 4.431 4.731 0.031 8 0 "[ . 1 . 2]" 1 168 1 126 ILE H 1 138 GLY H 1.800 . 3.130 2.705 2.346 3.041 . 0 0 "[ . 1 . 2]" 1 169 1 139 GLY H 1 140 TYR H 1.800 . 4.990 4.133 4.017 4.297 . 0 0 "[ . 1 . 2]" 1 170 1 140 TYR H 1 141 ARG H 1.800 . 5.070 4.457 4.405 4.493 . 0 0 "[ . 1 . 2]" 1 171 1 124 ALA H 1 141 ARG H 1.800 . 5.300 5.299 5.198 5.339 0.039 8 0 "[ . 1 . 2]" 1 172 1 123 GLN H 1 142 TYR H 1.800 . 5.160 4.717 4.357 5.055 . 0 0 "[ . 1 . 2]" 1 173 1 141 ARG H 1 142 TYR H 1.800 . 4.580 4.273 4.105 4.416 . 0 0 "[ . 1 . 2]" 1 174 1 122 LEU H 1 142 TYR H 1.800 . 3.320 2.962 2.238 3.328 0.008 4 0 "[ . 1 . 2]" 1 175 1 120 ALA H 1 144 ARG H 1.800 . 3.220 2.710 2.062 3.197 . 0 0 "[ . 1 . 2]" 1 176 1 146 ASN H 1 147 ALA H 1.800 . 4.440 4.233 4.059 4.459 0.019 17 0 "[ . 1 . 2]" 1 177 1 118 TYR H 1 147 ALA H 1.800 . 4.430 4.415 4.253 4.445 0.015 15 0 "[ . 1 . 2]" 1 178 1 170 PHE H 1 171 TYR H 1.800 . 4.330 4.447 4.356 4.496 0.166 16 0 "[ . 1 . 2]" 1 179 1 9 TRP H 1 172 LEU H 1.800 . 3.230 2.921 2.500 3.184 . 0 0 "[ . 1 . 2]" 1 180 1 172 LEU H 1 173 GLY H 1.800 . 4.630 4.148 4.100 4.378 . 0 0 "[ . 1 . 2]" 1 181 1 174 ALA H 1 175 ASN H 1.800 . 4.730 4.461 4.415 4.510 . 0 0 "[ . 1 . 2]" 1 182 1 175 ASN H 1 176 TYR H 1.800 . 3.980 3.986 3.963 4.013 0.033 20 0 "[ . 1 . 2]" 1 183 1 177 LYS H 1 178 PHE H 1.800 . 5.420 4.596 4.585 4.613 . 0 0 "[ . 1 . 2]" 1 184 1 33 LYS H 1 34 VAL H 1.800 . 3.910 2.757 1.926 3.873 . 0 0 "[ . 1 . 2]" 1 185 1 43 ILE H 1 44 ARG H 1.800 . 4.650 4.510 4.378 4.545 . 0 0 "[ . 1 . 2]" 1 186 1 44 ARG H 1 45 ALA H 1.800 . 4.290 4.346 4.323 4.412 0.122 4 0 "[ . 1 . 2]" 1 187 1 50 GLU H 1 51 GLN H 1.800 . 4.510 2.651 2.573 2.772 . 0 0 "[ . 1 . 2]" 1 188 1 83 LEU H 1 93 PHE H 1.800 . 4.850 4.652 4.527 4.834 . 0 0 "[ . 1 . 2]" 1 189 1 99 GLY H 1 120 ALA H 1.800 . 5.450 4.623 4.216 4.964 . 0 0 "[ . 1 . 2]" 1 190 1 93 PHE H 1 126 ILE H 1.800 . 5.230 4.411 4.286 4.536 . 0 0 "[ . 1 . 2]" 1 191 1 121 GLY H 1 122 LEU H 1.800 . 4.110 4.065 3.850 4.129 0.019 14 0 "[ . 1 . 2]" 1 192 1 124 ALA H 1 140 TYR H 1.800 . 3.270 3.237 2.938 3.293 0.023 4 0 "[ . 1 . 2]" 1 193 1 130 LEU H 1 136 ILE H 1.800 . 5.050 4.829 4.044 5.073 0.023 17 0 "[ . 1 . 2]" 1 194 1 129 GLU H 1 136 ILE H 1.800 . 5.180 4.673 4.337 4.939 . 0 0 "[ . 1 . 2]" 1 195 1 11 GLU H 1 171 TYR H 1.800 . 4.700 4.678 4.571 4.731 0.031 13 0 "[ . 1 . 2]" 1 196 1 173 GLY H 1 174 ALA H 1.800 . 4.290 4.283 4.043 4.324 0.034 11 0 "[ . 1 . 2]" 1 197 1 5 VAL H 1 178 PHE H 1.800 . 4.840 4.816 4.530 4.866 0.026 4 0 "[ . 1 . 2]" 1 198 1 4 PHE H 1 178 PHE H 1.800 . 5.500 4.622 4.217 4.891 . 0 0 "[ . 1 . 2]" 1 199 1 138 GLY H 1 173 GLY H 1.800 . 5.480 4.859 4.331 5.170 . 0 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 134 _Distance_constraint_stats_list.Viol_count 239 _Distance_constraint_stats_list.Viol_total 36.624 _Distance_constraint_stats_list.Viol_max 0.054 _Distance_constraint_stats_list.Viol_rms 0.0031 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0077 _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 4 PHE 0.011 0.005 9 0 "[ . 1 . 2]" 1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 LEU 0.051 0.006 12 0 "[ . 1 . 2]" 1 8 THR 0.009 0.004 7 0 "[ . 1 . 2]" 1 9 TRP 0.009 0.005 2 0 "[ . 1 . 2]" 1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 GLY 0.009 0.004 7 0 "[ . 1 . 2]" 1 43 ILE 0.392 0.054 4 0 "[ . 1 . 2]" 1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 ALA 0.179 0.034 16 0 "[ . 1 . 2]" 1 46 GLY 0.011 0.005 9 0 "[ . 1 . 2]" 1 47 GLN 0.049 0.029 9 0 "[ . 1 . 2]" 1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 TYR 0.049 0.029 9 0 "[ . 1 . 2]" 1 55 TYR 0.078 0.027 5 0 "[ . 1 . 2]" 1 56 ALA 0.179 0.034 16 0 "[ . 1 . 2]" 1 57 THR 0.073 0.013 6 0 "[ . 1 . 2]" 1 58 TYR 0.392 0.054 4 0 "[ . 1 . 2]" 1 59 GLU 0.021 0.005 18 0 "[ . 1 . 2]" 1 73 GLN 0.056 0.013 20 0 "[ . 1 . 2]" 1 74 ASN 0.021 0.005 18 0 "[ . 1 . 2]" 1 75 LEU 0.023 0.011 15 0 "[ . 1 . 2]" 1 76 LEU 0.073 0.013 6 0 "[ . 1 . 2]" 1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 SER 0.078 0.027 5 0 "[ . 1 . 2]" 1 79 TYR 0.009 0.005 8 0 "[ . 1 . 2]" 1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ALA 0.086 0.018 11 0 "[ . 1 . 2]" 1 83 LEU 0.155 0.022 2 0 "[ . 1 . 2]" 1 91 LYS 0.253 0.032 10 0 "[ . 1 . 2]" 1 92 LEU 0.155 0.022 2 0 "[ . 1 . 2]" 1 93 PHE 0.044 0.019 6 0 "[ . 1 . 2]" 1 94 GLY 0.086 0.018 11 0 "[ . 1 . 2]" 1 95 GLY 0.019 0.008 2 0 "[ . 1 . 2]" 1 96 ALA 0.009 0.005 8 0 "[ . 1 . 2]" 1 97 THR 0.036 0.007 1 0 "[ . 1 . 2]" 1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 GLY 0.053 0.010 3 0 "[ . 1 . 2]" 1 100 LEU 0.023 0.011 15 0 "[ . 1 . 2]" 1 102 LYS 0.056 0.013 20 0 "[ . 1 . 2]" 1 119 ALA 0.053 0.010 3 0 "[ . 1 . 2]" 1 120 ALA 0.103 0.025 17 0 "[ . 1 . 2]" 1 121 GLY 0.036 0.007 1 0 "[ . 1 . 2]" 1 122 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 GLN 0.019 0.008 2 0 "[ . 1 . 2]" 1 124 ALA 0.005 0.005 17 0 "[ . 1 . 2]" 1 125 GLY 0.044 0.019 6 0 "[ . 1 . 2]" 1 126 ILE 0.087 0.023 13 0 "[ . 1 . 2]" 1 127 LEU 0.253 0.032 10 0 "[ . 1 . 2]" 1 128 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 SER 0.013 0.007 3 0 "[ . 1 . 2]" 1 136 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 GLU 0.004 0.004 7 0 "[ . 1 . 2]" 1 138 GLY 0.087 0.023 13 0 "[ . 1 . 2]" 1 139 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 140 TYR 0.005 0.005 17 0 "[ . 1 . 2]" 1 141 ARG 0.013 0.007 17 0 "[ . 1 . 2]" 1 142 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 144 ARG 0.103 0.025 17 0 "[ . 1 . 2]" 1 169 GLN 0.013 0.007 17 0 "[ . 1 . 2]" 1 171 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 172 LEU 0.009 0.005 2 0 "[ . 1 . 2]" 1 173 GLY 0.004 0.004 7 0 "[ . 1 . 2]" 1 174 ALA 0.051 0.006 12 0 "[ . 1 . 2]" 1 175 ASN 0.013 0.007 3 0 "[ . 1 . 2]" 1 176 TYR 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 PHE N 1 46 GLY O 2.800 2.400 3.500 3.191 2.809 3.481 . 0 0 "[ . 1 . 2]" 2 2 1 4 PHE H 1 46 GLY O 1.800 . 2.500 2.226 1.836 2.505 0.005 9 0 "[ . 1 . 2]" 2 3 1 4 PHE O 1 46 GLY N 2.800 2.400 3.500 2.749 2.595 3.009 . 0 0 "[ . 1 . 2]" 2 4 1 4 PHE O 1 46 GLY H 1.800 . 2.500 1.812 1.660 2.149 . 0 0 "[ . 1 . 2]" 2 5 1 5 VAL N 1 176 TYR O 2.800 2.400 3.500 2.646 2.520 2.834 . 0 0 "[ . 1 . 2]" 2 6 1 5 VAL H 1 176 TYR O 1.800 . 2.500 1.824 1.594 2.066 . 0 0 "[ . 1 . 2]" 2 7 1 5 VAL O 1 176 TYR N 2.800 2.400 3.500 2.620 2.550 2.855 . 0 0 "[ . 1 . 2]" 2 8 1 5 VAL O 1 176 TYR H 1.800 . 2.500 1.789 1.669 2.153 . 0 0 "[ . 1 . 2]" 2 9 1 6 GLY N 1 44 ARG O 2.800 2.400 3.500 2.645 2.520 3.114 . 0 0 "[ . 1 . 2]" 2 10 1 6 GLY H 1 44 ARG O 1.800 . 2.500 1.777 1.593 2.291 . 0 0 "[ . 1 . 2]" 2 11 1 6 GLY O 1 44 ARG N 2.800 2.400 3.500 2.616 2.568 3.003 . 0 0 "[ . 1 . 2]" 2 12 1 6 GLY O 1 44 ARG H 1.800 . 2.500 1.767 1.635 2.233 . 0 0 "[ . 1 . 2]" 2 13 1 7 LEU N 1 174 ALA O 2.800 2.400 3.500 3.282 3.101 3.429 . 0 0 "[ . 1 . 2]" 2 14 1 7 LEU H 1 174 ALA O 1.800 . 2.500 2.436 2.170 2.505 0.005 8 0 "[ . 1 . 2]" 2 15 1 7 LEU O 1 174 ALA N 2.800 2.400 3.500 3.225 2.899 3.379 . 0 0 "[ . 1 . 2]" 2 16 1 7 LEU O 1 174 ALA H 1.800 . 2.500 2.409 2.042 2.506 0.006 12 0 "[ . 1 . 2]" 2 17 1 8 THR N 1 42 GLY O 2.800 2.400 3.500 3.162 2.644 3.476 . 0 0 "[ . 1 . 2]" 2 18 1 8 THR H 1 42 GLY O 1.800 . 2.500 2.214 1.678 2.504 0.004 7 0 "[ . 1 . 2]" 2 19 1 8 THR O 1 42 GLY N 2.800 2.400 3.500 3.068 2.591 3.448 . 0 0 "[ . 1 . 2]" 2 20 1 8 THR O 1 42 GLY H 1.800 . 2.500 2.243 1.938 2.502 0.002 9 0 "[ . 1 . 2]" 2 21 1 9 TRP N 1 172 LEU O 2.800 2.400 3.500 2.794 2.570 3.303 . 0 0 "[ . 1 . 2]" 2 22 1 9 TRP H 1 172 LEU O 1.800 . 2.500 2.132 1.778 2.505 0.005 2 0 "[ . 1 . 2]" 2 23 1 9 TRP O 1 172 LEU N 2.800 2.400 3.500 2.965 2.715 3.367 . 0 0 "[ . 1 . 2]" 2 24 1 9 TRP O 1 172 LEU H 1.800 . 2.500 2.278 1.778 2.502 0.002 14 0 "[ . 1 . 2]" 2 25 1 10 GLY N 1 40 THR O 2.800 2.400 3.500 2.891 2.610 3.235 . 0 0 "[ . 1 . 2]" 2 26 1 10 GLY H 1 40 THR O 1.800 . 2.500 1.973 1.631 2.463 . 0 0 "[ . 1 . 2]" 2 27 1 43 ILE N 1 58 TYR O 2.800 2.400 3.500 3.312 3.052 3.398 . 0 0 "[ . 1 . 2]" 2 28 1 43 ILE H 1 58 TYR O 1.800 . 2.500 2.473 2.171 2.527 0.027 20 0 "[ . 1 . 2]" 2 29 1 43 ILE O 1 58 TYR N 2.800 2.400 3.500 3.287 2.876 3.437 . 0 0 "[ . 1 . 2]" 2 30 1 43 ILE O 1 58 TYR H 1.800 . 2.500 2.443 1.985 2.554 0.054 4 0 "[ . 1 . 2]" 2 31 1 45 ALA N 1 56 ALA O 2.800 2.400 3.500 3.208 2.683 3.401 . 0 0 "[ . 1 . 2]" 2 32 1 45 ALA H 1 56 ALA O 1.800 . 2.500 2.361 1.870 2.534 0.034 16 0 "[ . 1 . 2]" 2 33 1 45 ALA O 1 56 ALA N 2.800 2.400 3.500 3.102 2.752 3.470 . 0 0 "[ . 1 . 2]" 2 34 1 45 ALA O 1 56 ALA H 1.800 . 2.500 2.212 1.907 2.505 0.005 3 0 "[ . 1 . 2]" 2 35 1 47 GLN N 1 54 TYR O 2.800 2.400 3.500 3.020 2.589 3.368 . 0 0 "[ . 1 . 2]" 2 36 1 47 GLN H 1 54 TYR O 1.800 . 2.500 2.302 1.949 2.529 0.029 9 0 "[ . 1 . 2]" 2 37 1 47 GLN O 1 54 TYR N 2.800 2.400 3.500 2.671 2.565 2.995 . 0 0 "[ . 1 . 2]" 2 38 1 47 GLN O 1 54 TYR H 1.800 . 2.500 1.771 1.621 2.168 . 0 0 "[ . 1 . 2]" 2 39 1 49 PHE N 1 52 GLY O 2.800 2.400 3.500 2.629 2.506 3.022 . 0 0 "[ . 1 . 2]" 2 40 1 49 PHE H 1 52 GLY O 1.800 . 2.500 1.817 1.675 2.048 . 0 0 "[ . 1 . 2]" 2 41 1 53 ARG N 1 80 ASP O 2.800 2.400 3.500 2.612 2.541 2.770 . 0 0 "[ . 1 . 2]" 2 42 1 53 ARG H 1 80 ASP O 1.800 . 2.500 1.763 1.630 1.934 . 0 0 "[ . 1 . 2]" 2 43 1 53 ARG O 1 80 ASP N 2.800 2.400 3.500 2.999 2.694 3.417 . 0 0 "[ . 1 . 2]" 2 44 1 53 ARG O 1 80 ASP H 1.800 . 2.500 2.104 1.818 2.485 . 0 0 "[ . 1 . 2]" 2 45 1 55 TYR N 1 78 SER O 2.800 2.400 3.500 3.017 2.533 3.357 . 0 0 "[ . 1 . 2]" 2 46 1 55 TYR H 1 78 SER O 1.800 . 2.500 2.242 1.706 2.527 0.027 5 0 "[ . 1 . 2]" 2 47 1 55 TYR O 1 78 SER N 2.800 2.400 3.500 3.064 2.682 3.463 . 0 0 "[ . 1 . 2]" 2 48 1 55 TYR O 1 78 SER H 1.800 . 2.500 2.161 1.798 2.511 0.011 11 0 "[ . 1 . 2]" 2 49 1 57 THR N 1 76 LEU O 2.800 2.400 3.500 2.839 2.581 3.345 . 0 0 "[ . 1 . 2]" 2 50 1 57 THR H 1 76 LEU O 1.800 . 2.500 1.925 1.626 2.504 0.004 9 0 "[ . 1 . 2]" 2 51 1 57 THR O 1 76 LEU N 2.800 2.400 3.500 3.265 2.884 3.459 . 0 0 "[ . 1 . 2]" 2 52 1 57 THR O 1 76 LEU H 1.800 . 2.500 2.418 2.011 2.513 0.013 6 0 "[ . 1 . 2]" 2 53 1 59 GLU N 1 74 ASN O 2.800 2.400 3.500 2.867 2.615 3.113 . 0 0 "[ . 1 . 2]" 2 54 1 59 GLU H 1 74 ASN O 1.800 . 2.500 1.927 1.657 2.185 . 0 0 "[ . 1 . 2]" 2 55 1 59 GLU O 1 74 ASN N 2.800 2.400 3.500 3.152 2.619 3.437 . 0 0 "[ . 1 . 2]" 2 56 1 59 GLU O 1 74 ASN H 1.800 . 2.500 2.347 1.841 2.505 0.005 18 0 "[ . 1 . 2]" 2 57 1 73 GLN N 1 102 LYS O 2.800 2.400 3.500 3.386 3.131 3.484 . 0 0 "[ . 1 . 2]" 2 58 1 73 GLN H 1 102 LYS O 1.800 . 2.500 2.450 2.156 2.513 0.013 20 0 "[ . 1 . 2]" 2 59 1 73 GLN O 1 102 LYS N 2.800 2.400 3.500 3.250 2.953 3.474 . 0 0 "[ . 1 . 2]" 2 60 1 73 GLN O 1 102 LYS H 1.800 . 2.500 2.309 1.983 2.502 0.002 6 0 "[ . 1 . 2]" 2 61 1 75 LEU N 1 100 LEU O 2.800 2.400 3.500 3.225 2.736 3.470 . 0 0 "[ . 1 . 2]" 2 62 1 75 LEU H 1 100 LEU O 1.800 . 2.500 2.298 1.770 2.511 0.011 15 0 "[ . 1 . 2]" 2 63 1 75 LEU O 1 100 LEU N 2.800 2.400 3.500 2.827 2.605 3.183 . 0 0 "[ . 1 . 2]" 2 64 1 75 LEU O 1 100 LEU H 1.800 . 2.500 1.928 1.721 2.289 . 0 0 "[ . 1 . 2]" 2 65 1 77 GLY N 1 98 LEU O 2.800 2.400 3.500 2.780 2.586 3.056 . 0 0 "[ . 1 . 2]" 2 66 1 77 GLY H 1 98 LEU O 1.800 . 2.500 1.878 1.658 2.459 . 0 0 "[ . 1 . 2]" 2 67 1 77 GLY O 1 98 LEU N 2.800 2.400 3.500 2.950 2.574 3.286 . 0 0 "[ . 1 . 2]" 2 68 1 77 GLY O 1 98 LEU H 1.800 . 2.500 2.140 1.737 2.421 . 0 0 "[ . 1 . 2]" 2 69 1 79 TYR N 1 96 ALA O 2.800 2.400 3.500 2.911 2.591 3.401 . 0 0 "[ . 1 . 2]" 2 70 1 79 TYR H 1 96 ALA O 1.800 . 2.500 2.039 1.776 2.505 0.005 8 0 "[ . 1 . 2]" 2 71 1 79 TYR O 1 96 ALA N 2.800 2.400 3.500 3.044 2.663 3.322 . 0 0 "[ . 1 . 2]" 2 72 1 79 TYR O 1 96 ALA H 1.800 . 2.500 2.147 1.739 2.429 . 0 0 "[ . 1 . 2]" 2 73 1 81 ALA N 1 94 GLY O 2.800 2.400 3.500 2.988 2.667 3.328 . 0 0 "[ . 1 . 2]" 2 74 1 81 ALA H 1 94 GLY O 1.800 . 2.500 2.030 1.734 2.354 . 0 0 "[ . 1 . 2]" 2 75 1 81 ALA O 1 94 GLY N 2.800 2.400 3.500 3.195 2.972 3.303 . 0 0 "[ . 1 . 2]" 2 76 1 81 ALA O 1 94 GLY H 1.800 . 2.500 2.438 2.203 2.518 0.018 11 0 "[ . 1 . 2]" 2 77 1 83 LEU N 1 92 LEU O 2.800 2.400 3.500 2.991 2.763 3.107 . 0 0 "[ . 1 . 2]" 2 78 1 83 LEU H 1 92 LEU O 1.800 . 2.500 2.438 2.167 2.517 0.017 6 0 "[ . 1 . 2]" 2 79 1 83 LEU O 1 92 LEU N 2.800 2.400 3.500 3.033 2.704 3.245 . 0 0 "[ . 1 . 2]" 2 80 1 83 LEU O 1 92 LEU H 1.800 . 2.500 2.330 2.060 2.522 0.022 2 0 "[ . 1 . 2]" 2 81 1 91 LYS N 1 127 LEU O 2.800 2.400 3.500 2.814 2.633 2.942 . 0 0 "[ . 1 . 2]" 2 82 1 91 LYS H 1 127 LEU O 1.800 . 2.500 2.506 2.396 2.532 0.032 10 0 "[ . 1 . 2]" 2 83 1 91 LYS O 1 127 LEU N 2.800 2.400 3.500 2.992 2.851 3.111 . 0 0 "[ . 1 . 2]" 2 84 1 91 LYS O 1 127 LEU H 1.800 . 2.500 2.092 1.945 2.227 . 0 0 "[ . 1 . 2]" 2 85 1 93 PHE N 1 125 GLY O 2.800 2.400 3.500 3.335 3.210 3.458 . 0 0 "[ . 1 . 2]" 2 86 1 93 PHE H 1 125 GLY O 1.800 . 2.500 2.463 2.332 2.519 0.019 6 0 "[ . 1 . 2]" 2 87 1 93 PHE O 1 125 GLY N 2.800 2.400 3.500 2.971 2.811 3.107 . 0 0 "[ . 1 . 2]" 2 88 1 93 PHE O 1 125 GLY H 1.800 . 2.500 2.142 1.917 2.278 . 0 0 "[ . 1 . 2]" 2 89 1 95 GLY N 1 123 GLN O 2.800 2.400 3.500 3.013 2.843 3.201 . 0 0 "[ . 1 . 2]" 2 90 1 95 GLY H 1 123 GLN O 1.800 . 2.500 2.087 1.894 2.349 . 0 0 "[ . 1 . 2]" 2 91 1 95 GLY O 1 123 GLN N 2.800 2.400 3.500 3.330 2.806 3.450 . 0 0 "[ . 1 . 2]" 2 92 1 95 GLY O 1 123 GLN H 1.800 . 2.500 2.403 1.879 2.508 0.008 2 0 "[ . 1 . 2]" 2 93 1 97 THR N 1 121 GLY O 2.800 2.400 3.500 3.267 3.015 3.479 . 0 0 "[ . 1 . 2]" 2 94 1 97 THR H 1 121 GLY O 1.800 . 2.500 2.387 2.066 2.507 0.007 1 0 "[ . 1 . 2]" 2 95 1 97 THR O 1 121 GLY N 2.800 2.400 3.500 3.130 2.845 3.428 . 0 0 "[ . 1 . 2]" 2 96 1 97 THR O 1 121 GLY H 1.800 . 2.500 2.223 1.942 2.505 0.005 11 0 "[ . 1 . 2]" 2 97 1 99 GLY N 1 119 ALA O 2.800 2.400 3.500 3.089 2.652 3.388 . 0 0 "[ . 1 . 2]" 2 98 1 99 GLY H 1 119 ALA O 1.800 . 2.500 2.185 1.692 2.505 0.005 7 0 "[ . 1 . 2]" 2 99 1 99 GLY O 1 119 ALA N 2.800 2.400 3.500 3.282 2.605 3.480 . 0 0 "[ . 1 . 2]" 2 100 1 99 GLY O 1 119 ALA H 1.800 . 2.500 2.368 1.841 2.510 0.010 3 0 "[ . 1 . 2]" 2 101 1 120 ALA N 1 144 ARG O 2.800 2.400 3.500 3.251 2.652 3.419 . 0 0 "[ . 1 . 2]" 2 102 1 120 ALA H 1 144 ARG O 1.800 . 2.500 2.387 1.861 2.525 0.025 17 0 "[ . 1 . 2]" 2 103 1 120 ALA O 1 144 ARG N 2.800 2.400 3.500 2.922 2.578 3.442 . 0 0 "[ . 1 . 2]" 2 104 1 120 ALA O 1 144 ARG H 1.800 . 2.500 2.189 1.763 2.502 0.002 14 0 "[ . 1 . 2]" 2 105 1 122 LEU N 1 142 TYR O 2.800 2.400 3.500 2.926 2.594 3.383 . 0 0 "[ . 1 . 2]" 2 106 1 122 LEU H 1 142 TYR O 1.800 . 2.500 2.066 1.661 2.497 . 0 0 "[ . 1 . 2]" 2 107 1 122 LEU O 1 142 TYR N 2.800 2.400 3.500 2.715 2.567 3.125 . 0 0 "[ . 1 . 2]" 2 108 1 122 LEU O 1 142 TYR H 1.800 . 2.500 1.782 1.633 2.147 . 0 0 "[ . 1 . 2]" 2 109 1 124 ALA N 1 140 TYR O 2.800 2.400 3.500 3.155 2.943 3.456 . 0 0 "[ . 1 . 2]" 2 110 1 124 ALA H 1 140 TYR O 1.800 . 2.500 2.273 2.125 2.505 0.005 17 0 "[ . 1 . 2]" 2 111 1 124 ALA O 1 140 TYR N 2.800 2.400 3.500 2.841 2.585 3.065 . 0 0 "[ . 1 . 2]" 2 112 1 124 ALA O 1 140 TYR H 1.800 . 2.500 1.878 1.641 2.087 . 0 0 "[ . 1 . 2]" 2 113 1 126 ILE N 1 138 GLY O 2.800 2.400 3.500 2.982 2.806 3.212 . 0 0 "[ . 1 . 2]" 2 114 1 126 ILE H 1 138 GLY O 1.800 . 2.500 2.214 1.967 2.505 0.005 3 0 "[ . 1 . 2]" 2 115 1 126 ILE O 1 138 GLY N 2.800 2.400 3.500 3.303 3.141 3.405 . 0 0 "[ . 1 . 2]" 2 116 1 126 ILE O 1 138 GLY H 1.800 . 2.500 2.481 2.341 2.523 0.023 13 0 "[ . 1 . 2]" 2 117 1 128 GLN N 1 136 ILE O 2.800 2.400 3.500 2.561 2.506 2.672 . 0 0 "[ . 1 . 2]" 2 118 1 128 GLN H 1 136 ILE O 1.800 . 2.500 1.743 1.624 1.988 . 0 0 "[ . 1 . 2]" 2 119 1 128 GLN O 1 136 ILE N 2.800 2.400 3.500 2.659 2.563 2.837 . 0 0 "[ . 1 . 2]" 2 120 1 128 GLN O 1 136 ILE H 1.800 . 2.500 1.803 1.637 2.089 . 0 0 "[ . 1 . 2]" 2 121 1 135 SER N 1 175 ASN O 2.800 2.400 3.500 3.009 2.684 3.287 . 0 0 "[ . 1 . 2]" 2 122 1 135 SER H 1 175 ASN O 1.800 . 2.500 2.266 2.026 2.507 0.007 3 0 "[ . 1 . 2]" 2 123 1 135 SER O 1 175 ASN N 2.800 2.400 3.500 2.953 2.665 3.280 . 0 0 "[ . 1 . 2]" 2 124 1 135 SER O 1 175 ASN H 1.800 . 2.500 2.073 1.803 2.376 . 0 0 "[ . 1 . 2]" 2 125 1 137 GLU N 1 173 GLY O 2.800 2.400 3.500 2.995 2.669 3.347 . 0 0 "[ . 1 . 2]" 2 126 1 137 GLU H 1 173 GLY O 1.800 . 2.500 2.103 1.715 2.504 0.004 7 0 "[ . 1 . 2]" 2 127 1 137 GLU O 1 173 GLY N 2.800 2.400 3.500 2.735 2.566 2.924 . 0 0 "[ . 1 . 2]" 2 128 1 137 GLU O 1 173 GLY H 1.800 . 2.500 1.877 1.586 2.217 . 0 0 "[ . 1 . 2]" 2 129 1 139 GLY N 1 171 TYR O 2.800 2.400 3.500 2.587 2.533 2.709 . 0 0 "[ . 1 . 2]" 2 130 1 139 GLY H 1 171 TYR O 1.800 . 2.500 1.729 1.666 1.846 . 0 0 "[ . 1 . 2]" 2 131 1 139 GLY O 1 171 TYR N 2.800 2.400 3.500 2.605 2.569 2.725 . 0 0 "[ . 1 . 2]" 2 132 1 139 GLY O 1 171 TYR H 1.800 . 2.500 1.826 1.663 2.152 . 0 0 "[ . 1 . 2]" 2 133 1 141 ARG N 1 169 GLN O 2.800 2.400 3.500 3.119 2.619 3.455 . 0 0 "[ . 1 . 2]" 2 134 1 141 ARG H 1 169 GLN O 1.800 . 2.500 2.196 1.718 2.507 0.007 17 0 "[ . 1 . 2]" 2 stop_ save_
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