NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
372293 | 1d8z | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d8z 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 590 _Distance_constraint_stats_list.Viol_count 36 _Distance_constraint_stats_list.Viol_total 1.933 _Distance_constraint_stats_list.Viol_max 0.166 _Distance_constraint_stats_list.Viol_rms 0.0166 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0537 _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 0.000 0.000 . 0 "[ ]" 1 3 SER 0.062 0.062 1 0 "[ ]" 1 4 LYS 0.062 0.062 1 0 "[ ]" 1 5 THR 0.009 0.009 1 0 "[ ]" 1 6 ASN 0.009 0.009 1 0 "[ ]" 1 7 LEU 0.117 0.117 1 0 "[ ]" 1 8 ILE 0.000 0.000 . 0 "[ ]" 1 9 VAL 0.000 0.000 . 0 "[ ]" 1 10 ASN 0.061 0.057 1 0 "[ ]" 1 11 TYR 0.076 0.076 1 0 "[ ]" 1 12 LEU 0.000 0.000 . 0 "[ ]" 1 13 PRO 0.000 0.000 . 0 "[ ]" 1 14 GLN 0.000 0.000 . 0 "[ ]" 1 15 ASN 0.152 0.085 1 0 "[ ]" 1 16 MET 0.067 0.067 1 0 "[ ]" 1 17 THR 0.015 0.015 1 0 "[ ]" 1 18 GLN 0.108 0.072 1 0 "[ ]" 1 19 ASP 0.021 0.021 1 0 "[ ]" 1 20 GLU 0.000 0.000 . 0 "[ ]" 1 21 PHE 0.086 0.072 1 0 "[ ]" 1 22 LYS 0.015 0.015 1 0 "[ ]" 1 23 SER 0.015 0.015 1 0 "[ ]" 1 24 LEU 0.000 0.000 . 0 "[ ]" 1 25 PHE 0.079 0.079 1 0 "[ ]" 1 26 GLY 0.000 0.000 . 0 "[ ]" 1 27 SER 0.000 0.000 . 0 "[ ]" 1 28 ILE 0.044 0.044 1 0 "[ ]" 1 29 GLY 0.044 0.044 1 0 "[ ]" 1 30 ASP 0.064 0.064 1 0 "[ ]" 1 31 ILE 0.073 0.073 1 0 "[ ]" 1 32 GLU 0.064 0.064 1 0 "[ ]" 1 33 SER 0.000 0.000 . 0 "[ ]" 1 34 CYS 0.034 0.034 1 0 "[ ]" 1 35 LYS 0.034 0.034 1 0 "[ ]" 1 36 LEU 0.000 0.000 . 0 "[ ]" 1 37 VAL 0.166 0.166 1 0 "[ ]" 1 38 ARG 0.002 0.002 1 0 "[ ]" 1 39 ASP 0.000 0.000 . 0 "[ ]" 1 40 LYS 0.000 0.000 . 0 "[ ]" 1 41 ILE 0.004 0.004 1 0 "[ ]" 1 42 THR 0.175 0.119 1 0 "[ ]" 1 43 GLY 0.170 0.119 1 0 "[ ]" 1 44 GLN 0.000 0.000 . 0 "[ ]" 1 45 SER 0.000 0.000 . 0 "[ ]" 1 46 LEU 0.169 0.166 1 0 "[ ]" 1 47 GLY 0.000 0.000 . 0 "[ ]" 1 48 TYR 0.000 0.000 . 0 "[ ]" 1 49 GLY 0.018 0.008 1 0 "[ ]" 1 50 PHE 0.000 0.000 . 0 "[ ]" 1 51 VAL 0.184 0.111 1 0 "[ ]" 1 52 ASN 0.000 0.000 . 0 "[ ]" 1 53 TYR 0.111 0.111 1 0 "[ ]" 1 54 SER 0.000 0.000 . 0 "[ ]" 1 55 ASP 0.000 0.000 . 0 "[ ]" 1 56 PRO 0.000 0.000 . 0 "[ ]" 1 57 ASN 0.073 0.047 1 0 "[ ]" 1 58 ASP 0.047 0.047 1 0 "[ ]" 1 59 ALA 0.126 0.117 1 0 "[ ]" 1 60 ASP 0.035 0.026 1 0 "[ ]" 1 61 LYS 0.000 0.000 . 0 "[ ]" 1 62 ALA 0.000 0.000 . 0 "[ ]" 1 63 ILE 0.083 0.083 1 0 "[ ]" 1 64 ASN 0.000 0.000 . 0 "[ ]" 1 65 THR 0.000 0.000 . 0 "[ ]" 1 66 LEU 0.108 0.108 1 0 "[ ]" 1 67 ASN 0.000 0.000 . 0 "[ ]" 1 68 GLY 0.000 0.000 . 0 "[ ]" 1 69 LEU 0.252 0.144 1 0 "[ ]" 1 70 LYS 0.067 0.067 1 0 "[ ]" 1 71 LEU 0.037 0.037 1 0 "[ ]" 1 72 GLN 0.062 0.037 1 0 "[ ]" 1 73 THR 0.025 0.025 1 0 "[ ]" 1 74 LYS 0.006 0.006 1 0 "[ ]" 1 75 THR 0.006 0.006 1 0 "[ ]" 1 76 ILE 0.211 0.144 1 0 "[ ]" 1 77 LYS 0.133 0.076 1 0 "[ ]" 1 78 VAL 0.162 0.083 1 0 "[ ]" 1 79 SER 0.000 0.000 . 0 "[ ]" 1 80 TYR 0.000 0.000 . 0 "[ ]" 1 81 ALA 0.000 0.000 . 0 "[ ]" 1 82 ARG 0.000 0.000 . 0 "[ ]" 1 85 SER 0.021 0.021 1 0 "[ ]" 1 86 ALA 0.021 0.021 1 0 "[ ]" 1 87 SER 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP H 1 3 SER H 3.400 . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1 2 1 4 LYS H 1 5 THR H 2.600 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1 3 1 5 THR H 1 6 ASN H 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1 4 1 11 TYR H 1 12 LEU H 2.600 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1 5 1 14 GLN H 1 15 ASN H 2.600 . 3.500 3.283 3.283 3.283 . 0 0 "[ ]" 1 6 1 15 ASN H 1 16 MET H 2.600 . 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 1 7 1 18 GLN H 1 19 ASP H 2.600 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1 8 1 19 ASP H 1 20 GLU H 2.600 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1 9 1 20 GLU H 1 21 PHE H 2.600 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1 10 1 22 LYS H 1 23 SER H 2.600 . 3.500 2.733 2.733 2.733 . 0 0 "[ ]" 1 11 1 23 SER H 1 24 LEU H 2.600 . 3.500 2.766 2.766 2.766 . 0 0 "[ ]" 1 12 1 24 LEU H 1 25 PHE H 3.400 . 5.000 3.189 3.189 3.189 . 0 0 "[ ]" 1 13 1 25 PHE H 1 26 GLY H 2.600 . 3.500 2.594 2.594 2.594 . 0 0 "[ ]" 1 14 1 26 GLY H 1 27 SER H 2.600 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1 15 1 27 SER H 1 28 ILE H 2.600 . 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 1 16 1 29 GLY H 1 30 ASP H 3.400 . 5.000 4.382 4.382 4.382 . 0 0 "[ ]" 1 17 1 32 GLU H 1 33 SER H 2.600 . 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1 18 1 40 LYS H 1 41 ILE H 2.600 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1 19 1 41 ILE H 1 42 THR H 2.600 . 3.500 3.067 3.067 3.067 . 0 0 "[ ]" 1 20 1 42 THR H 1 43 GLY H 2.600 . 3.500 2.508 2.508 2.508 . 0 0 "[ ]" 1 21 1 43 GLY H 1 44 GLN H 2.600 . 3.500 1.943 1.943 1.943 . 0 0 "[ ]" 1 22 1 46 LEU H 1 47 GLY H 2.600 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1 23 1 47 GLY H 1 48 TYR H 2.600 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1 24 1 54 SER H 1 55 ASP H 2.600 . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 1 25 1 57 ASN H 1 58 ASP H 2.600 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1 26 1 58 ASP H 1 59 ALA H 2.600 . 3.500 2.469 2.469 2.469 . 0 0 "[ ]" 1 27 1 59 ALA H 1 60 ASP H 2.100 . 2.500 2.509 2.509 2.509 0.009 1 0 "[ ]" 1 28 1 61 LYS H 1 62 ALA H 2.600 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1 29 1 62 ALA H 1 63 ILE H 2.600 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1 30 1 63 ILE H 1 64 ASN H 2.600 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1 31 1 64 ASN H 1 65 THR H 2.600 . 3.500 2.581 2.581 2.581 . 0 0 "[ ]" 1 32 1 65 THR H 1 66 LEU H 2.600 . 3.500 1.854 1.854 1.854 . 0 0 "[ ]" 1 33 1 66 LEU H 1 67 ASN H 2.600 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1 34 1 68 GLY H 1 69 LEU H 2.600 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 35 1 69 LEU H 1 70 LYS H 3.400 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1 36 1 73 THR H 1 74 LYS H 2.600 . 3.500 1.935 1.935 1.935 . 0 0 "[ ]" 1 37 1 75 THR H 1 76 ILE H 3.400 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1 38 1 2 ASP HA 1 3 SER H 2.100 . 2.500 2.190 2.190 2.190 . 0 0 "[ ]" 1 39 1 3 SER HA 1 4 LYS H 2.600 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1 40 1 4 LYS HA 1 5 THR H 2.600 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1 41 1 5 THR HA 1 6 ASN H 3.400 . 5.000 2.480 2.480 2.480 . 0 0 "[ ]" 1 42 1 6 ASN HA 1 7 LEU H 2.600 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1 43 1 7 LEU HA 1 8 ILE H 2.600 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1 44 1 8 ILE HA 1 9 VAL H 2.600 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1 45 1 9 VAL HA 1 10 ASN H 2.600 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1 46 1 10 ASN HA 1 11 TYR H 2.600 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1 47 1 11 TYR HA 1 12 LEU H 2.600 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1 48 1 13 PRO HA 1 14 GLN H 2.100 . 2.500 2.370 2.370 2.370 . 0 0 "[ ]" 1 49 1 15 ASN HA 1 16 MET H 2.600 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1 50 1 16 MET HA 1 17 THR H 2.600 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1 51 1 17 THR HA 1 18 GLN H 2.600 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1 52 1 18 GLN HA 1 19 ASP H 2.600 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1 53 1 19 ASP HA 1 20 GLU H 3.400 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1 54 1 20 GLU HA 1 21 PHE H 2.600 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 1 55 1 22 LYS HA 1 23 SER H 3.400 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1 56 1 25 PHE HA 1 26 GLY H 3.400 . 5.000 3.241 3.241 3.241 . 0 0 "[ ]" 1 57 1 26 GLY HA3 1 27 SER H 2.600 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1 58 1 27 SER HA 1 28 ILE H 3.400 . 5.000 2.823 2.823 2.823 . 0 0 "[ ]" 1 59 1 28 ILE HA 1 29 GLY H 2.600 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1 60 1 29 GLY HA2 1 30 ASP H 2.600 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1 61 1 29 GLY HA3 1 30 ASP H 2.600 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1 62 1 30 ASP HA 1 31 ILE H 2.100 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1 63 1 31 ILE HA 1 32 GLU H 2.600 . 3.500 2.287 2.287 2.287 . 0 0 "[ ]" 1 64 1 33 SER HA 1 34 CYS H 2.100 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1 65 1 34 CYS HA 1 35 LYS H 2.100 . 2.500 2.534 2.534 2.534 0.034 1 0 "[ ]" 1 66 1 35 LYS HA 1 36 LEU H 2.600 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1 67 1 36 LEU HA 1 37 VAL H 2.100 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 1 68 1 37 VAL HA 1 38 ARG H 2.100 . 2.500 2.199 2.199 2.199 . 0 0 "[ ]" 1 69 1 38 ARG HA 1 39 ASP H 2.600 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1 70 1 39 ASP HA 1 40 LYS H 2.100 . 2.500 2.410 2.410 2.410 . 0 0 "[ ]" 1 71 1 40 LYS HA 1 41 ILE H 2.600 . 3.500 3.082 3.082 3.082 . 0 0 "[ ]" 1 72 1 41 ILE HA 1 42 THR H 2.600 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1 73 1 43 GLY QA 1 44 GLN H 3.900 . 6.000 2.834 2.834 2.834 . 0 0 "[ ]" 1 74 1 45 SER HA 1 46 LEU H 2.600 . 3.500 2.285 2.285 2.285 . 0 0 "[ ]" 1 75 1 47 GLY QA 1 48 TYR H 3.100 . 4.500 2.808 2.808 2.808 . 0 0 "[ ]" 1 76 1 48 TYR HA 1 49 GLY H 2.600 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1 77 1 49 GLY HA3 1 50 PHE H 2.600 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1 78 1 49 GLY HA2 1 50 PHE H 2.600 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1 79 1 50 PHE HA 1 51 VAL H 2.600 . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 1 80 1 51 VAL HA 1 52 ASN H 2.100 . 2.500 2.244 2.244 2.244 . 0 0 "[ ]" 1 81 1 52 ASN HA 1 53 TYR H 2.600 . 3.500 2.204 2.204 2.204 . 0 0 "[ ]" 1 82 1 53 TYR HA 1 54 SER H 2.600 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1 83 1 57 ASN HA 1 58 ASP H 2.600 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 1 84 1 58 ASP HA 1 59 ALA H 2.600 . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1 85 1 60 ASP HA 1 61 LYS H 2.600 . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1 86 1 63 ILE HA 1 64 ASN H 3.400 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1 87 1 64 ASN HA 1 65 THR H 3.400 . 5.000 3.267 3.267 3.267 . 0 0 "[ ]" 1 88 1 66 LEU HA 1 67 ASN H 2.600 . 3.500 3.225 3.225 3.225 . 0 0 "[ ]" 1 89 1 67 ASN HA 1 68 GLY H 2.600 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1 90 1 69 LEU HA 1 70 LYS H 2.100 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 1 91 1 70 LYS HA 1 71 LEU H 2.100 . 2.500 2.280 2.280 2.280 . 0 0 "[ ]" 1 92 1 71 LEU HA 1 72 GLN H 2.100 . 2.500 2.537 2.537 2.537 0.037 1 0 "[ ]" 1 93 1 72 GLN HA 1 73 THR H 2.600 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1 94 1 73 THR HA 1 74 LYS H 2.600 . 3.500 3.080 3.080 3.080 . 0 0 "[ ]" 1 95 1 74 LYS HA 1 75 THR H 2.100 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 1 96 1 76 ILE HA 1 77 LYS H 2.600 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1 97 1 77 LYS HA 1 78 VAL H 2.600 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1 98 1 78 VAL HA 1 79 SER H 2.600 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1 99 1 79 SER HA 1 80 TYR H 2.100 . 2.500 2.235 2.235 2.235 . 0 0 "[ ]" 1 100 1 80 TYR HA 1 81 ALA H 2.600 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1 101 1 81 ALA HA 1 82 ARG H 2.100 . 2.500 2.204 2.204 2.204 . 0 0 "[ ]" 1 102 1 85 SER HA 1 86 ALA H 2.600 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1 103 1 6 ASN HB2 1 7 LEU H 3.400 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1 104 1 7 LEU MD1 1 8 ILE H 3.100 . 4.500 3.575 3.575 3.575 . 0 0 "[ ]" 1 105 1 9 VAL MG2 1 10 ASN H 3.900 . 6.000 3.999 3.999 3.999 . 0 0 "[ ]" 1 106 1 9 VAL MG1 1 10 ASN H 3.100 . 4.500 1.948 1.948 1.948 . 0 0 "[ ]" 1 107 1 10 ASN QB 1 11 TYR H 3.100 . 4.500 2.366 2.366 2.366 . 0 0 "[ ]" 1 108 1 13 PRO QB 1 14 GLN H 3.900 . 6.000 2.829 2.829 2.829 . 0 0 "[ ]" 1 109 1 14 GLN QB 1 15 ASN H 3.100 . 4.500 2.662 2.662 2.662 . 0 0 "[ ]" 1 110 1 14 GLN QG 1 15 ASN H 3.100 . 4.500 1.850 1.850 1.850 . 0 0 "[ ]" 1 111 1 15 ASN HB2 1 16 MET H 3.400 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1 112 1 16 MET ME 1 17 THR H 3.900 . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1 113 1 16 MET HB3 1 17 THR H 3.400 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1 114 1 16 MET HG2 1 17 THR H 2.600 . 3.500 3.347 3.347 3.347 . 0 0 "[ ]" 1 115 1 17 THR HB 1 18 GLN H 2.600 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1 116 1 18 GLN QB 1 19 ASP H 3.100 . 4.500 2.835 2.835 2.835 . 0 0 "[ ]" 1 117 1 20 GLU QB 1 21 PHE H 3.900 . 6.000 3.203 3.203 3.203 . 0 0 "[ ]" 1 118 1 21 PHE HB3 1 22 LYS H 2.600 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1 119 1 22 LYS HB2 1 23 SER H 2.600 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1 120 1 22 LYS HB3 1 23 SER H 2.600 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1 121 1 23 SER QB 1 24 LEU H 3.100 . 4.500 3.273 3.273 3.273 . 0 0 "[ ]" 1 122 1 24 LEU HB2 1 25 PHE H 3.400 . 5.000 3.397 3.397 3.397 . 0 0 "[ ]" 1 123 1 24 LEU HB3 1 25 PHE H 2.600 . 3.500 1.974 1.974 1.974 . 0 0 "[ ]" 1 124 1 25 PHE HB2 1 26 GLY H 3.400 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1 125 1 28 ILE HB 1 29 GLY H 2.600 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1 126 1 28 ILE MG 1 29 GLY H 3.900 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1 127 1 28 ILE QG 1 29 GLY H 3.100 . 4.500 3.890 3.890 3.890 . 0 0 "[ ]" 1 128 1 30 ASP QB 1 31 ILE H 3.100 . 4.500 4.060 4.060 4.060 . 0 0 "[ ]" 1 129 1 31 ILE MG 1 32 GLU H 3.100 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1 130 1 32 GLU QB 1 33 SER H 3.100 . 4.500 2.891 2.891 2.891 . 0 0 "[ ]" 1 131 1 32 GLU QG 1 33 SER H 3.900 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1 132 1 33 SER QB 1 34 CYS H 3.100 . 4.500 3.806 3.806 3.806 . 0 0 "[ ]" 1 133 1 34 CYS HB3 1 35 LYS H 2.600 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1 134 1 36 LEU MD2 1 37 VAL H 3.100 . 4.500 1.846 1.846 1.846 . 0 0 "[ ]" 1 135 1 37 VAL MG1 1 38 ARG H 3.100 . 4.500 2.463 2.463 2.463 . 0 0 "[ ]" 1 136 1 39 ASP QB 1 40 LYS H 3.100 . 4.500 2.535 2.535 2.535 . 0 0 "[ ]" 1 137 1 40 LYS QB 1 41 ILE H 3.100 . 4.500 3.667 3.667 3.667 . 0 0 "[ ]" 1 138 1 41 ILE HB 1 42 THR H 2.600 . 3.500 1.846 1.846 1.846 . 0 0 "[ ]" 1 139 1 41 ILE MG 1 42 THR H 3.100 . 4.500 2.283 2.283 2.283 . 0 0 "[ ]" 1 140 1 41 ILE QG 1 42 THR H 3.100 . 4.500 3.825 3.825 3.825 . 0 0 "[ ]" 1 141 1 42 THR HB 1 43 GLY H 2.600 . 3.500 3.619 3.619 3.619 0.119 1 0 "[ ]" 1 142 1 42 THR MG 1 43 GLY H 3.900 . 6.000 1.749 1.749 1.749 0.051 1 0 "[ ]" 1 143 1 44 GLN QB 1 45 SER H 3.100 . 4.500 3.439 3.439 3.439 . 0 0 "[ ]" 1 144 1 44 GLN QG 1 45 SER H 3.100 . 4.500 2.950 2.950 2.950 . 0 0 "[ ]" 1 145 1 45 SER QB 1 46 LEU H 3.900 . 6.000 3.010 3.010 3.010 . 0 0 "[ ]" 1 146 1 48 TYR QD 1 49 GLY H 3.600 . 5.500 3.315 3.315 3.315 . 0 0 "[ ]" 1 147 1 50 PHE QD 1 51 VAL H 3.600 . 5.500 3.266 3.266 3.266 . 0 0 "[ ]" 1 148 1 50 PHE HB3 1 51 VAL H 2.600 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1 149 1 51 VAL MG1 1 52 ASN H 3.100 . 4.500 2.080 2.080 2.080 . 0 0 "[ ]" 1 150 1 53 TYR QD 1 54 SER H 3.600 . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1 151 1 53 TYR HB3 1 54 SER H 3.400 . 5.000 2.169 2.169 2.169 . 0 0 "[ ]" 1 152 1 56 PRO QB 1 57 ASN H 3.100 . 4.500 3.392 3.392 3.392 . 0 0 "[ ]" 1 153 1 56 PRO QD 1 57 ASN H 3.100 . 4.500 2.347 2.347 2.347 . 0 0 "[ ]" 1 154 1 58 ASP QB 1 59 ALA H 3.100 . 4.500 2.892 2.892 2.892 . 0 0 "[ ]" 1 155 1 59 ALA MB 1 60 ASP H 3.100 . 4.500 2.541 2.541 2.541 . 0 0 "[ ]" 1 156 1 61 LYS QB 1 62 ALA H 3.100 . 4.500 3.307 3.307 3.307 . 0 0 "[ ]" 1 157 1 62 ALA MB 1 63 ILE H 3.100 . 4.500 2.900 2.900 2.900 . 0 0 "[ ]" 1 158 1 63 ILE HB 1 64 ASN H 2.600 . 3.500 2.999 2.999 2.999 . 0 0 "[ ]" 1 159 1 63 ILE MD 1 64 ASN H 3.900 . 6.000 4.767 4.767 4.767 . 0 0 "[ ]" 1 160 1 63 ILE MG 1 64 ASN H 3.100 . 4.500 3.526 3.526 3.526 . 0 0 "[ ]" 1 161 1 63 ILE QG 1 64 ASN H 3.900 . 6.000 4.313 4.313 4.313 . 0 0 "[ ]" 1 162 1 64 ASN QB 1 65 THR H 3.100 . 4.500 3.868 3.868 3.868 . 0 0 "[ ]" 1 163 1 67 ASN QB 1 68 GLY H 3.100 . 4.500 4.053 4.053 4.053 . 0 0 "[ ]" 1 164 1 69 LEU MD2 1 70 LYS H 3.100 . 4.500 3.585 3.585 3.585 . 0 0 "[ ]" 1 165 1 71 LEU HB3 1 72 GLN H 2.600 . 3.500 2.257 2.257 2.257 . 0 0 "[ ]" 1 166 1 71 LEU MD2 1 72 GLN H 3.100 . 4.500 3.134 3.134 3.134 . 0 0 "[ ]" 1 167 1 72 GLN QB 1 73 THR H 3.100 . 4.500 2.732 2.732 2.732 . 0 0 "[ ]" 1 168 1 74 LYS HB2 1 75 THR H 3.400 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1 169 1 74 LYS HB3 1 75 THR H 2.600 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1 170 1 75 THR MG 1 76 ILE H 3.100 . 4.500 3.022 3.022 3.022 . 0 0 "[ ]" 1 171 1 76 ILE MD 1 77 LYS H 3.900 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1 172 1 78 VAL MG1 1 79 SER H 3.100 . 4.500 1.904 1.904 1.904 . 0 0 "[ ]" 1 173 1 78 VAL MG2 1 79 SER H 3.100 . 4.500 3.810 3.810 3.810 . 0 0 "[ ]" 1 174 1 79 SER QB 1 80 TYR H 3.100 . 4.500 3.026 3.026 3.026 . 0 0 "[ ]" 1 175 1 80 TYR QD 1 81 ALA H 3.600 . 5.500 3.810 3.810 3.810 . 0 0 "[ ]" 1 176 1 80 TYR HB2 1 81 ALA H 3.400 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1 177 1 81 ALA MB 1 82 ARG H 3.100 . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1 178 1 86 ALA MB 1 87 SER H 3.900 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1 179 1 8 ILE QG 1 9 VAL HA 3.100 . 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 1 180 1 8 ILE HA 1 9 VAL MG2 3.100 . 4.500 3.400 3.400 3.400 . 0 0 "[ ]" 1 181 1 12 LEU MD2 1 13 PRO QD 3.600 . 5.500 2.648 2.648 2.648 . 0 0 "[ ]" 1 182 1 12 LEU HA 1 13 PRO QD 3.100 . 4.500 1.839 1.839 1.839 . 0 0 "[ ]" 1 183 1 41 ILE MG 1 42 THR HA 3.100 . 4.500 3.237 3.237 3.237 . 0 0 "[ ]" 1 184 1 41 ILE MG 1 42 THR HB 3.100 . 4.500 2.973 2.973 2.973 . 0 0 "[ ]" 1 185 1 41 ILE HB 1 42 THR MG 3.100 . 4.500 3.442 3.442 3.442 . 0 0 "[ ]" 1 186 1 50 PHE HA 1 51 VAL MG2 3.900 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1 187 1 52 ASN HA 1 53 TYR QD 4.400 . 7.000 3.530 3.530 3.530 . 0 0 "[ ]" 1 188 1 55 ASP HA 1 56 PRO QD 3.100 . 4.500 1.964 1.964 1.964 . 0 0 "[ ]" 1 189 1 55 ASP HA 1 56 PRO QG 3.900 . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1 190 1 63 ILE MG 1 64 ASN HA 3.100 . 4.500 3.466 3.466 3.466 . 0 0 "[ ]" 1 191 1 65 THR MG 1 66 LEU QD 3.900 . 6.000 2.885 2.885 2.885 . 0 0 "[ ]" 1 192 1 77 LYS HA 1 78 VAL MG2 3.900 . 6.000 3.817 3.817 3.817 . 0 0 "[ ]" 1 193 1 79 SER HA 1 80 TYR QD 4.400 . 7.000 3.939 3.939 3.939 . 0 0 "[ ]" 1 194 1 5 THR MG 1 32 GLU QG 3.600 . 5.500 3.452 3.452 3.452 . 0 0 "[ ]" 1 195 1 5 THR MG 1 55 ASP HA 3.100 . 4.500 3.308 3.308 3.308 . 0 0 "[ ]" 1 196 1 7 LEU H 1 51 VAL HB 3.400 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1 197 1 7 LEU H 1 51 VAL H 3.400 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1 198 1 7 LEU H 1 52 ASN HA 2.600 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1 199 1 7 LEU MD1 1 59 ALA MB 3.600 . 5.500 2.431 2.431 2.431 . 0 0 "[ ]" 1 200 1 7 LEU MD2 1 59 ALA HA 3.100 . 4.500 2.973 2.973 2.973 . 0 0 "[ ]" 1 201 1 7 LEU MD2 1 59 ALA MB 3.600 . 5.500 1.683 1.683 1.683 0.117 1 0 "[ ]" 1 202 1 7 LEU MD1 1 63 ILE QG 3.600 . 5.500 2.241 2.241 2.241 . 0 0 "[ ]" 1 203 1 7 LEU MD1 1 78 VAL MG1 3.600 . 5.500 2.642 2.642 2.642 . 0 0 "[ ]" 1 204 1 7 LEU MD1 1 79 SER HA 3.900 . 6.000 4.879 4.879 4.879 . 0 0 "[ ]" 1 205 1 8 ILE H 1 79 SER H 3.400 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1 206 1 8 ILE MG 1 79 SER QB 3.600 . 5.500 2.190 2.190 2.190 . 0 0 "[ ]" 1 207 1 8 ILE H 1 80 TYR HA 3.400 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1 208 1 8 ILE H 1 81 ALA H 2.600 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1 209 1 8 ILE H 1 81 ALA MB 3.100 . 4.500 2.637 2.637 2.637 . 0 0 "[ ]" 1 210 1 8 ILE MD 1 81 ALA HA 3.900 . 6.000 3.137 3.137 3.137 . 0 0 "[ ]" 1 211 1 8 ILE MD 1 81 ALA MB 3.600 . 5.500 3.433 3.433 3.433 . 0 0 "[ ]" 1 212 1 8 ILE MG 1 81 ALA HA 3.100 . 4.500 1.810 1.810 1.810 . 0 0 "[ ]" 1 213 1 8 ILE MG 1 81 ALA MB 3.600 . 5.500 2.684 2.684 2.684 . 0 0 "[ ]" 1 214 1 9 VAL H 1 49 GLY H 2.600 . 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 1 215 1 10 ASN H 1 77 LYS H 2.600 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 1 216 1 10 ASN H 1 78 VAL HA 3.400 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1 217 1 11 TYR QD 1 77 LYS QB 4.200 . 6.500 2.985 2.985 2.985 . 0 0 "[ ]" 1 218 1 11 TYR QE 1 77 LYS QB 4.200 . 6.500 3.931 3.931 3.931 . 0 0 "[ ]" 1 219 1 11 TYR QE 1 77 LYS QE 4.900 . 8.000 5.767 5.767 5.767 . 0 0 "[ ]" 1 220 1 10 ASN HA 1 12 LEU H 3.400 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1 221 1 12 LEU MD1 1 16 MET ME 4.400 . 7.000 4.212 4.212 4.212 . 0 0 "[ ]" 1 222 1 12 LEU MD2 1 16 MET ME 3.600 . 5.500 3.582 3.582 3.582 . 0 0 "[ ]" 1 223 1 12 LEU MD1 1 36 LEU MD2 3.600 . 5.500 2.970 2.970 2.970 . 0 0 "[ ]" 1 224 1 12 LEU MD1 1 47 GLY QA 3.600 . 5.500 3.721 3.721 3.721 . 0 0 "[ ]" 1 225 1 12 LEU H 1 48 TYR QB 3.100 . 4.500 4.002 4.002 4.002 . 0 0 "[ ]" 1 226 1 12 LEU MD1 1 48 TYR HA 3.100 . 4.500 2.161 2.161 2.161 . 0 0 "[ ]" 1 227 1 13 PRO QB 1 15 ASN H 3.100 . 4.500 3.441 3.441 3.441 . 0 0 "[ ]" 1 228 1 16 MET ME 1 21 PHE HA 3.100 . 4.500 2.136 2.136 2.136 . 0 0 "[ ]" 1 229 1 17 THR H 1 20 GLU QB 3.900 . 6.000 1.807 1.807 1.807 . 0 0 "[ ]" 1 230 1 18 GLN H 1 36 LEU MD1 3.100 . 4.500 3.501 3.501 3.501 . 0 0 "[ ]" 1 231 1 9 VAL HB 1 21 PHE QE 3.600 . 5.500 2.634 2.634 2.634 . 0 0 "[ ]" 1 232 1 9 VAL MG2 1 21 PHE QE 4.200 . 6.500 1.989 1.989 1.989 . 0 0 "[ ]" 1 233 1 9 VAL MG1 1 21 PHE QE 4.200 . 6.500 2.125 2.125 2.125 . 0 0 "[ ]" 1 234 1 9 VAL HB 1 21 PHE HZ 2.600 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1 235 1 9 VAL MG2 1 21 PHE HZ 3.100 . 4.500 1.825 1.825 1.825 . 0 0 "[ ]" 1 236 1 9 VAL MG1 1 21 PHE HZ 3.100 . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1 237 1 12 LEU MD2 1 21 PHE QD 4.200 . 6.500 3.449 3.449 3.449 . 0 0 "[ ]" 1 238 1 12 LEU MD1 1 21 PHE QE 4.200 . 6.500 3.470 3.470 3.470 . 0 0 "[ ]" 1 239 1 12 LEU MD2 1 21 PHE QE 4.200 . 6.500 2.982 2.982 2.982 . 0 0 "[ ]" 1 240 1 16 MET HG2 1 21 PHE H 3.400 . 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 1 241 1 18 GLN HA 1 21 PHE QD 3.600 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1 242 1 18 GLN HA 1 21 PHE HB2 2.600 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1 243 1 18 GLN HA 1 21 PHE HB3 2.600 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1 244 1 21 PHE QD 1 36 LEU MD2 4.200 . 6.500 4.459 4.459 4.459 . 0 0 "[ ]" 1 245 1 21 PHE QE 1 49 GLY HA3 4.400 . 7.000 2.969 2.969 2.969 . 0 0 "[ ]" 1 246 1 21 PHE QE 1 49 GLY HA2 3.600 . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1 247 1 21 PHE HZ 1 49 GLY HA3 2.600 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1 248 1 21 PHE HZ 1 49 GLY HA2 3.400 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1 249 1 21 PHE HZ 1 51 VAL MG2 3.100 . 4.500 1.880 1.880 1.880 . 0 0 "[ ]" 1 250 1 21 PHE HZ 1 51 VAL MG1 3.900 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1 251 1 19 ASP HA 1 22 LYS QD 3.100 . 4.500 3.907 3.907 3.907 . 0 0 "[ ]" 1 252 1 16 MET ME 1 24 LEU MD1 3.600 . 5.500 3.202 3.202 3.202 . 0 0 "[ ]" 1 253 1 16 MET ME 1 24 LEU MD2 3.600 . 5.500 2.846 2.846 2.846 . 0 0 "[ ]" 1 254 1 9 VAL HB 1 25 PHE QE 3.600 . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1 255 1 9 VAL MG2 1 25 PHE QE 4.900 . 8.000 2.645 2.645 2.645 . 0 0 "[ ]" 1 256 1 9 VAL MG1 1 25 PHE QE 4.200 . 6.500 2.602 2.602 2.602 . 0 0 "[ ]" 1 257 1 9 VAL HA 1 25 PHE HZ 3.400 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1 258 1 9 VAL MG2 1 25 PHE HZ 2.600 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1 259 1 9 VAL MG1 1 25 PHE HZ 2.600 . 3.500 2.495 2.495 2.495 . 0 0 "[ ]" 1 260 1 21 PHE QE 1 25 PHE QD 4.700 . 7.500 3.207 3.207 3.207 . 0 0 "[ ]" 1 261 1 22 LYS HA 1 25 PHE H 3.400 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1 262 1 25 PHE QD 1 31 ILE MD 4.200 . 6.500 3.746 3.746 3.746 . 0 0 "[ ]" 1 263 1 25 PHE QE 1 51 VAL MG2 4.200 . 6.500 4.405 4.405 4.405 . 0 0 "[ ]" 1 264 1 25 PHE QE 1 51 VAL MG1 4.200 . 6.500 4.447 4.447 4.447 . 0 0 "[ ]" 1 265 1 25 PHE QD 1 53 TYR QE 4.700 . 7.500 2.517 2.517 2.517 . 0 0 "[ ]" 1 266 1 25 PHE HZ 1 66 LEU HB2 2.600 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1 267 1 25 PHE HZ 1 66 LEU QD 3.900 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1 268 1 25 PHE QE 1 78 VAL MG1 4.200 . 6.500 2.526 2.526 2.526 . 0 0 "[ ]" 1 269 1 25 PHE HZ 1 78 VAL MG1 3.100 . 4.500 3.102 3.102 3.102 . 0 0 "[ ]" 1 270 1 25 PHE HZ 1 78 VAL MG2 2.600 . 3.500 1.721 1.721 1.721 0.079 1 0 "[ ]" 1 271 1 23 SER HA 1 26 GLY H 2.600 . 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 1 272 1 26 GLY H 1 31 ILE MD 3.100 . 4.500 3.428 3.428 3.428 . 0 0 "[ ]" 1 273 1 24 LEU HA 1 27 SER H 3.400 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1 274 1 28 ILE MG 1 58 ASP QB 4.400 . 7.000 4.072 4.072 4.072 . 0 0 "[ ]" 1 275 1 28 ILE MG 1 61 LYS QB 3.600 . 5.500 4.164 4.164 4.164 . 0 0 "[ ]" 1 276 1 28 ILE MG 1 62 ALA HA 3.100 . 4.500 2.294 2.294 2.294 . 0 0 "[ ]" 1 277 1 25 PHE HB2 1 31 ILE MD 3.100 . 4.500 2.321 2.321 2.321 . 0 0 "[ ]" 1 278 1 25 PHE HB3 1 31 ILE MD 3.100 . 4.500 1.898 1.898 1.898 . 0 0 "[ ]" 1 279 1 26 GLY HA3 1 31 ILE MD 3.100 . 4.500 3.325 3.325 3.325 . 0 0 "[ ]" 1 280 1 26 GLY HA2 1 31 ILE MD 3.100 . 4.500 2.034 2.034 2.034 . 0 0 "[ ]" 1 281 1 31 ILE MG 1 33 SER HA 3.100 . 4.500 3.213 3.213 3.213 . 0 0 "[ ]" 1 282 1 31 ILE MG 1 34 CYS HB2 3.100 . 4.500 3.745 3.745 3.745 . 0 0 "[ ]" 1 283 1 31 ILE MG 1 34 CYS HB3 3.100 . 4.500 3.125 3.125 3.125 . 0 0 "[ ]" 1 284 1 31 ILE HA 1 53 TYR HA 2.600 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1 285 1 31 ILE MG 1 53 TYR HA 3.100 . 4.500 3.555 3.555 3.555 . 0 0 "[ ]" 1 286 1 32 GLU H 1 53 TYR HA 2.600 . 3.500 2.484 2.484 2.484 . 0 0 "[ ]" 1 287 1 32 GLU H 1 54 SER H 3.400 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1 288 1 32 GLU QB 1 54 SER HA 3.100 . 4.500 3.291 3.291 3.291 . 0 0 "[ ]" 1 289 1 32 GLU QB 1 54 SER QB 4.400 . 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1 290 1 32 GLU QG 1 54 SER HA 3.100 . 4.500 2.062 2.062 2.062 . 0 0 "[ ]" 1 291 1 31 ILE HA 1 33 SER H 2.600 . 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1 292 1 31 ILE MG 1 33 SER H 3.100 . 4.500 2.163 2.163 2.163 . 0 0 "[ ]" 1 293 1 33 SER H 1 53 TYR HA 3.400 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1 294 1 31 ILE MG 1 34 CYS H 3.100 . 4.500 2.743 2.743 2.743 . 0 0 "[ ]" 1 295 1 34 CYS HB3 1 51 VAL HA 3.400 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1 296 1 21 PHE QD 1 35 LYS H 4.400 . 7.000 3.761 3.761 3.761 . 0 0 "[ ]" 1 297 1 21 PHE QE 1 35 LYS H 3.600 . 5.500 2.929 2.929 2.929 . 0 0 "[ ]" 1 298 1 35 LYS H 1 50 PHE H 2.600 . 3.500 3.352 3.352 3.352 . 0 0 "[ ]" 1 299 1 35 LYS H 1 51 VAL HA 2.600 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1 300 1 17 THR HA 1 36 LEU MD1 3.100 . 4.500 2.487 2.487 2.487 . 0 0 "[ ]" 1 301 1 18 GLN QB 1 36 LEU H 3.900 . 6.000 4.923 4.923 4.923 . 0 0 "[ ]" 1 302 1 18 GLN QB 1 36 LEU HB3 3.100 . 4.500 3.530 3.530 3.530 . 0 0 "[ ]" 1 303 1 18 GLN HA 1 36 LEU MD1 3.100 . 4.500 2.536 2.536 2.536 . 0 0 "[ ]" 1 304 1 36 LEU MD1 1 38 ARG QD 4.400 . 7.000 4.406 4.406 4.406 . 0 0 "[ ]" 1 305 1 37 VAL MG2 1 46 LEU HB2 3.100 . 4.500 2.606 2.606 2.606 . 0 0 "[ ]" 1 306 1 37 VAL MG2 1 46 LEU HB3 3.100 . 4.500 3.567 3.567 3.567 . 0 0 "[ ]" 1 307 1 37 VAL MG1 1 46 LEU HG 3.100 . 4.500 1.818 1.818 1.818 . 0 0 "[ ]" 1 308 1 37 VAL MG1 1 46 LEU HB2 3.100 . 4.500 1.832 1.832 1.832 . 0 0 "[ ]" 1 309 1 37 VAL MG1 1 46 LEU HB3 3.100 . 4.500 3.080 3.080 3.080 . 0 0 "[ ]" 1 310 1 37 VAL MG1 1 46 LEU QD 3.900 . 6.000 1.734 1.734 1.734 0.166 1 0 "[ ]" 1 311 1 37 VAL H 1 48 TYR H 3.400 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1 312 1 38 ARG HE 1 43 GLY QA 3.900 . 6.000 4.811 4.811 4.811 . 0 0 "[ ]" 1 313 1 39 ASP QB 1 43 GLY QA 3.600 . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1 314 1 39 ASP H 1 44 GLN H 3.400 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1 315 1 39 ASP H 1 46 LEU QD 3.900 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1 316 1 41 ILE H 1 43 GLY H 2.600 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1 317 1 39 ASP QB 1 42 THR H 3.900 . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1 318 1 42 THR MG 1 44 GLN QG 3.600 . 5.500 3.024 3.024 3.024 . 0 0 "[ ]" 1 319 1 39 ASP QB 1 43 GLY H 3.900 . 6.000 3.489 3.489 3.489 . 0 0 "[ ]" 1 320 1 39 ASP QB 1 44 GLN H 3.100 . 4.500 3.837 3.837 3.837 . 0 0 "[ ]" 1 321 1 42 THR HB 1 44 GLN H 3.400 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1 322 1 42 THR H 1 44 GLN H 3.400 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1 323 1 39 ASP QB 1 46 LEU QD 4.400 . 6.900 4.120 4.120 4.120 . 0 0 "[ ]" 1 324 1 45 SER HA 1 47 GLY H 3.400 . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1 325 1 8 ILE MD 1 48 TYR QD 4.200 . 6.500 3.192 3.192 3.192 . 0 0 "[ ]" 1 326 1 8 ILE QG 1 48 TYR QD 4.200 . 6.500 2.943 2.943 2.943 . 0 0 "[ ]" 1 327 1 8 ILE MD 1 48 TYR QE 4.200 . 6.500 3.565 3.565 3.565 . 0 0 "[ ]" 1 328 1 10 ASN HA 1 48 TYR QD 4.400 . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1 329 1 10 ASN QB 1 48 TYR QD 4.200 . 6.500 4.518 4.518 4.518 . 0 0 "[ ]" 1 330 1 10 ASN HA 1 48 TYR QB 3.100 . 4.500 1.994 1.994 1.994 . 0 0 "[ ]" 1 331 1 12 LEU HB2 1 48 TYR H 2.600 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1 332 1 12 LEU MD1 1 48 TYR H 3.100 . 4.500 2.802 2.802 2.802 . 0 0 "[ ]" 1 333 1 36 LEU MD2 1 48 TYR H 3.100 . 4.500 3.485 3.485 3.485 . 0 0 "[ ]" 1 334 1 37 VAL MG2 1 48 TYR QD 4.200 . 6.500 2.792 2.792 2.792 . 0 0 "[ ]" 1 335 1 37 VAL MG1 1 48 TYR QD 4.200 . 6.500 4.121 4.121 4.121 . 0 0 "[ ]" 1 336 1 37 VAL HB 1 48 TYR QE 3.100 . 4.500 4.179 4.179 4.179 . 0 0 "[ ]" 1 337 1 37 VAL MG2 1 48 TYR QE 4.200 . 6.500 2.412 2.412 2.412 . 0 0 "[ ]" 1 338 1 37 VAL MG1 1 48 TYR QE 4.200 . 6.500 2.977 2.977 2.977 . 0 0 "[ ]" 1 339 1 37 VAL MG2 1 48 TYR H 3.100 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1 340 1 9 VAL MG1 1 49 GLY H 3.100 . 4.500 3.694 3.694 3.694 . 0 0 "[ ]" 1 341 1 10 ASN HA 1 49 GLY H 2.600 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1 342 1 8 ILE HA 1 50 PHE QD 3.600 . 5.500 2.653 2.653 2.653 . 0 0 "[ ]" 1 343 1 8 ILE HB 1 50 PHE QD 3.600 . 5.500 2.519 2.519 2.519 . 0 0 "[ ]" 1 344 1 8 ILE MD 1 50 PHE QD 4.200 . 6.500 3.417 3.417 3.417 . 0 0 "[ ]" 1 345 1 8 ILE QG 1 50 PHE QD 4.900 . 8.000 2.572 2.572 2.572 . 0 0 "[ ]" 1 346 1 8 ILE HB 1 50 PHE QE 3.600 . 5.500 2.619 2.619 2.619 . 0 0 "[ ]" 1 347 1 8 ILE MD 1 50 PHE QE 4.200 . 6.500 1.851 1.851 1.851 . 0 0 "[ ]" 1 348 1 8 ILE MG 1 50 PHE QE 4.200 . 6.500 3.654 3.654 3.654 . 0 0 "[ ]" 1 349 1 8 ILE QG 1 50 PHE QE 4.900 . 8.000 2.482 2.482 2.482 . 0 0 "[ ]" 1 350 1 21 PHE QE 1 50 PHE H 3.600 . 5.500 2.816 2.816 2.816 . 0 0 "[ ]" 1 351 1 21 PHE HZ 1 50 PHE H 3.400 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1 352 1 37 VAL MG2 1 50 PHE QE 4.200 . 6.500 3.360 3.360 3.360 . 0 0 "[ ]" 1 353 1 48 TYR QD 1 50 PHE QE 4.700 . 7.500 4.061 4.061 4.061 . 0 0 "[ ]" 1 354 1 48 TYR QE 1 50 PHE QE 4.700 . 7.500 2.381 2.381 2.381 . 0 0 "[ ]" 1 355 1 48 TYR QD 1 50 PHE HZ 4.400 . 7.000 4.326 4.326 4.326 . 0 0 "[ ]" 1 356 1 48 TYR QE 1 50 PHE HZ 3.600 . 5.500 2.700 2.700 2.700 . 0 0 "[ ]" 1 357 1 50 PHE QE 1 81 ALA MB 4.200 . 6.500 3.457 3.457 3.457 . 0 0 "[ ]" 1 358 1 7 LEU HG 1 51 VAL MG1 3.100 . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 1 359 1 7 LEU HB3 1 51 VAL MG1 3.100 . 4.500 2.947 2.947 2.947 . 0 0 "[ ]" 1 360 1 7 LEU MD2 1 51 VAL MG1 3.600 . 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 1 361 1 25 PHE HB2 1 51 VAL MG2 3.900 . 6.000 2.823 2.823 2.823 . 0 0 "[ ]" 1 362 1 25 PHE HB3 1 51 VAL MG2 3.100 . 4.500 3.140 3.140 3.140 . 0 0 "[ ]" 1 363 1 25 PHE HB2 1 51 VAL MG1 3.900 . 6.000 3.426 3.426 3.426 . 0 0 "[ ]" 1 364 1 25 PHE HB3 1 51 VAL MG1 3.100 . 4.500 2.695 2.695 2.695 . 0 0 "[ ]" 1 365 1 31 ILE MD 1 51 VAL MG2 3.600 . 5.500 2.908 2.908 2.908 . 0 0 "[ ]" 1 366 1 31 ILE MG 1 51 VAL MG2 3.100 . 4.500 2.736 2.736 2.736 . 0 0 "[ ]" 1 367 1 31 ILE MD 1 51 VAL MG1 3.600 . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1 368 1 31 ILE MG 1 51 VAL MG1 3.600 . 5.500 1.727 1.727 1.727 0.073 1 0 "[ ]" 1 369 1 34 CYS HA 1 51 VAL MG2 3.100 . 4.500 2.759 2.759 2.759 . 0 0 "[ ]" 1 370 1 34 CYS HB3 1 51 VAL MG2 3.100 . 4.500 2.749 2.749 2.749 . 0 0 "[ ]" 1 371 1 34 CYS HB3 1 51 VAL MG1 3.900 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1 372 1 31 ILE MG 1 52 ASN H 3.900 . 6.000 1.910 1.910 1.910 . 0 0 "[ ]" 1 373 1 33 SER H 1 52 ASN H 2.600 . 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 1 374 1 34 CYS HA 1 52 ASN H 2.600 . 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 1 375 1 5 THR HB 1 53 TYR H 2.600 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 1 376 1 7 LEU HG 1 53 TYR QD 3.600 . 5.500 3.459 3.459 3.459 . 0 0 "[ ]" 1 377 1 7 LEU HG 1 53 TYR QE 4.400 . 7.000 3.531 3.531 3.531 . 0 0 "[ ]" 1 378 1 7 LEU MD2 1 53 TYR QE 3.600 . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1 379 1 25 PHE QD 1 53 TYR HH 3.600 . 5.500 2.054 2.054 2.054 . 0 0 "[ ]" 1 380 1 25 PHE HB3 1 53 TYR HH 2.600 . 3.500 2.128 2.128 2.128 . 0 0 "[ ]" 1 381 1 28 ILE HB 1 53 TYR QE 3.600 . 5.500 3.384 3.384 3.384 . 0 0 "[ ]" 1 382 1 28 ILE MD 1 53 TYR QE 4.200 . 6.500 4.155 4.155 4.155 . 0 0 "[ ]" 1 383 1 28 ILE MG 1 53 TYR QE 4.200 . 6.500 2.607 2.607 2.607 . 0 0 "[ ]" 1 384 1 28 ILE MD 1 53 TYR HH 3.900 . 6.000 3.374 3.374 3.374 . 0 0 "[ ]" 1 385 1 28 ILE MG 1 53 TYR HH 3.100 . 4.500 3.536 3.536 3.536 . 0 0 "[ ]" 1 386 1 31 ILE MD 1 53 TYR QD 4.200 . 6.500 4.527 4.527 4.527 . 0 0 "[ ]" 1 387 1 31 ILE HA 1 53 TYR QE 3.600 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1 388 1 31 ILE MD 1 53 TYR QE 4.200 . 6.500 3.343 3.343 3.343 . 0 0 "[ ]" 1 389 1 31 ILE MD 1 53 TYR HH 3.100 . 4.500 3.236 3.236 3.236 . 0 0 "[ ]" 1 390 1 51 VAL MG2 1 53 TYR QE 4.200 . 6.500 3.537 3.537 3.537 . 0 0 "[ ]" 1 391 1 51 VAL MG1 1 53 TYR QE 4.200 . 6.500 1.689 1.689 1.689 0.111 1 0 "[ ]" 1 392 1 51 VAL MG1 1 53 TYR HH 3.100 . 4.500 3.444 3.444 3.444 . 0 0 "[ ]" 1 393 1 53 TYR QD 1 58 ASP QB 4.200 . 6.500 2.082 2.082 2.082 . 0 0 "[ ]" 1 394 1 53 TYR QD 1 59 ALA MB 4.200 . 6.500 3.226 3.226 3.226 . 0 0 "[ ]" 1 395 1 53 TYR H 1 59 ALA MB 3.100 . 4.500 3.525 3.525 3.525 . 0 0 "[ ]" 1 396 1 53 TYR QE 1 62 ALA MB 3.600 . 5.500 2.233 2.233 2.233 . 0 0 "[ ]" 1 397 1 32 GLU QG 1 54 SER H 3.100 . 4.500 3.698 3.698 3.698 . 0 0 "[ ]" 1 398 1 53 TYR HB3 1 55 ASP H 2.600 . 3.500 2.575 2.575 2.575 . 0 0 "[ ]" 1 399 1 5 THR HA 1 59 ALA MB 3.100 . 4.500 3.423 3.423 3.423 . 0 0 "[ ]" 1 400 1 53 TYR HB3 1 59 ALA H 3.400 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1 401 1 59 ALA H 1 61 LYS QB 3.900 . 6.000 4.828 4.828 4.828 . 0 0 "[ ]" 1 402 1 57 ASN HA 1 60 ASP H 2.600 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1 403 1 58 ASP HA 1 61 LYS H 2.600 . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1 404 1 61 LYS QE 1 65 THR HB 3.100 . 4.500 4.101 4.101 4.101 . 0 0 "[ ]" 1 405 1 58 ASP HA 1 62 ALA H 3.400 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1 406 1 59 ALA HA 1 62 ALA H 3.400 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1 407 1 59 ALA HA 1 62 ALA MB 3.100 . 4.500 2.829 2.829 2.829 . 0 0 "[ ]" 1 408 1 7 LEU MD2 1 63 ILE MD 3.600 . 5.500 3.557 3.557 3.557 . 0 0 "[ ]" 1 409 1 60 ASP HA 1 63 ILE H 2.600 . 3.500 3.399 3.399 3.399 . 0 0 "[ ]" 1 410 1 60 ASP HA 1 63 ILE MD 3.100 . 4.500 2.660 2.660 2.660 . 0 0 "[ ]" 1 411 1 60 ASP QB 1 63 ILE MG 4.400 . 7.000 4.543 4.543 4.543 . 0 0 "[ ]" 1 412 1 63 ILE MG 1 67 ASN QB 3.600 . 5.500 1.826 1.826 1.826 . 0 0 "[ ]" 1 413 1 63 ILE MD 1 78 VAL MG1 3.600 . 5.500 2.832 2.832 2.832 . 0 0 "[ ]" 1 414 1 63 ILE QG 1 78 VAL MG1 3.600 . 5.500 1.717 1.717 1.717 0.083 1 0 "[ ]" 1 415 1 63 ILE QG 1 78 VAL HB 3.100 . 4.500 2.788 2.788 2.788 . 0 0 "[ ]" 1 416 1 61 LYS HA 1 64 ASN H 2.600 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1 417 1 61 LYS HA 1 64 ASN QB 3.100 . 4.500 2.852 2.852 2.852 . 0 0 "[ ]" 1 418 1 24 LEU HG 1 66 LEU QD 3.900 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1 419 1 24 LEU MD1 1 66 LEU QD 4.400 . 6.900 2.133 2.133 2.133 . 0 0 "[ ]" 1 420 1 62 ALA HA 1 66 LEU HG 3.400 . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 1 421 1 62 ALA MB 1 66 LEU QD 4.400 . 6.900 2.148 2.148 2.148 . 0 0 "[ ]" 1 422 1 62 ALA HA 1 66 LEU QD 3.900 . 6.000 2.021 2.021 2.021 . 0 0 "[ ]" 1 423 1 66 LEU QD 1 69 LEU MD1 3.900 . 6.000 1.792 1.792 1.792 0.108 1 0 "[ ]" 1 424 1 66 LEU QD 1 78 VAL MG1 4.400 . 6.900 3.596 3.596 3.596 . 0 0 "[ ]" 1 425 1 63 ILE HA 1 67 ASN H 2.600 . 3.500 3.438 3.438 3.438 . 0 0 "[ ]" 1 426 1 63 ILE HA 1 67 ASN QB 3.100 . 4.500 2.744 2.744 2.744 . 0 0 "[ ]" 1 427 1 68 GLY H 1 77 LYS HA 2.600 . 3.500 1.849 1.849 1.849 . 0 0 "[ ]" 1 428 1 66 LEU HA 1 69 LEU MD1 3.100 . 4.500 1.852 1.852 1.852 . 0 0 "[ ]" 1 429 1 69 LEU H 1 76 ILE HB 3.400 . 5.000 5.144 5.144 5.144 0.144 1 0 "[ ]" 1 430 1 69 LEU MD1 1 76 ILE MG 3.100 . 4.500 2.669 2.669 2.669 . 0 0 "[ ]" 1 431 1 13 PRO QB 1 71 LEU MD1 3.600 . 5.500 2.820 2.820 2.820 . 0 0 "[ ]" 1 432 1 13 PRO QD 1 71 LEU MD1 3.600 . 5.500 3.186 3.186 3.186 . 0 0 "[ ]" 1 433 1 71 LEU H 1 74 LYS H 2.600 . 3.500 3.284 3.284 3.284 . 0 0 "[ ]" 1 434 1 71 LEU HB2 1 74 LYS HB2 3.400 . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 1 435 1 71 LEU HB2 1 74 LYS HB3 3.400 . 5.000 3.411 3.411 3.411 . 0 0 "[ ]" 1 436 1 71 LEU H 1 75 THR HA 2.600 . 3.500 3.177 3.177 3.177 . 0 0 "[ ]" 1 437 1 71 LEU H 1 75 THR MG 3.900 . 6.000 4.261 4.261 4.261 . 0 0 "[ ]" 1 438 1 68 GLY HA2 1 75 THR MG 3.100 . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 1 439 1 70 LYS HA 1 75 THR MG 3.100 . 4.500 3.118 3.118 3.118 . 0 0 "[ ]" 1 440 1 13 PRO QD 1 76 ILE MD 3.600 . 5.500 3.114 3.114 3.114 . 0 0 "[ ]" 1 441 1 70 LYS HA 1 76 ILE H 2.600 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1 442 1 11 TYR QD 1 77 LYS H 3.600 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1 443 1 11 TYR HB3 1 77 LYS H 2.600 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1 444 1 69 LEU MD1 1 77 LYS H 3.900 . 6.000 4.884 4.884 4.884 . 0 0 "[ ]" 1 445 1 69 LEU HA 1 77 LYS QG 3.900 . 6.000 5.421 5.421 5.421 . 0 0 "[ ]" 1 446 1 63 ILE HA 1 78 VAL HB 2.600 . 3.500 2.655 2.655 2.655 . 0 0 "[ ]" 1 447 1 63 ILE HA 1 78 VAL MG1 3.100 . 4.500 2.728 2.728 2.728 . 0 0 "[ ]" 1 448 1 63 ILE HA 1 78 VAL MG2 3.900 . 6.000 3.275 3.275 3.275 . 0 0 "[ ]" 1 449 1 67 ASN QB 1 78 VAL HB 3.100 . 4.500 2.874 2.874 2.874 . 0 0 "[ ]" 1 450 1 67 ASN HA 1 78 VAL H 2.600 . 3.500 1.834 1.834 1.834 . 0 0 "[ ]" 1 451 1 67 ASN QB 1 78 VAL H 3.100 . 4.500 3.757 3.757 3.757 . 0 0 "[ ]" 1 452 1 67 ASN QB 1 78 VAL MG1 4.400 . 7.000 3.946 3.946 3.946 . 0 0 "[ ]" 1 453 1 67 ASN HA 1 78 VAL MG2 3.100 . 4.500 3.005 3.005 3.005 . 0 0 "[ ]" 1 454 1 67 ASN QB 1 78 VAL MG2 3.600 . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1 455 1 8 ILE MG 1 79 SER H 3.100 . 4.500 3.356 3.356 3.356 . 0 0 "[ ]" 1 456 1 9 VAL HA 1 79 SER H 2.600 . 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 1 457 1 63 ILE QG 1 79 SER H 3.900 . 6.000 3.664 3.664 3.664 . 0 0 "[ ]" 1 458 1 7 LEU HA 1 80 TYR QD 4.400 . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 1 459 1 7 LEU MD1 1 80 TYR QE 4.200 . 6.500 3.455 3.455 3.455 . 0 0 "[ ]" 1 460 1 59 ALA MB 1 80 TYR QD 4.200 . 6.500 4.129 4.129 4.129 . 0 0 "[ ]" 1 461 1 59 ALA MB 1 80 TYR QE 4.200 . 6.500 3.101 3.101 3.101 . 0 0 "[ ]" 1 462 1 60 ASP HA 1 80 TYR QE 3.600 . 5.500 3.562 3.562 3.562 . 0 0 "[ ]" 1 463 1 63 ILE MD 1 80 TYR QD 4.200 . 6.500 2.592 2.592 2.592 . 0 0 "[ ]" 1 464 1 63 ILE QG 1 80 TYR QD 4.200 . 6.500 4.404 4.404 4.404 . 0 0 "[ ]" 1 465 1 63 ILE MD 1 80 TYR QE 4.200 . 6.500 2.382 2.382 2.382 . 0 0 "[ ]" 1 466 1 63 ILE MD 1 80 TYR H 3.100 . 4.500 3.065 3.065 3.065 . 0 0 "[ ]" 1 467 1 6 ASN HB2 1 81 ALA MB 3.100 . 4.500 1.849 1.849 1.849 . 0 0 "[ ]" 1 468 1 7 LEU HA 1 81 ALA H 2.600 . 3.500 2.663 2.663 2.663 . 0 0 "[ ]" 1 469 1 7 LEU MD1 1 81 ALA H 3.100 . 4.500 3.530 3.530 3.530 . 0 0 "[ ]" 1 470 1 7 LEU HA 1 81 ALA MB 3.900 . 6.000 3.465 3.465 3.465 . 0 0 "[ ]" 1 471 1 8 ILE MG 1 81 ALA H 3.900 . 6.000 2.859 2.859 2.859 . 0 0 "[ ]" 1 472 1 8 ILE HB 1 81 ALA MB 3.100 . 4.500 1.850 1.850 1.850 . 0 0 "[ ]" 1 473 1 7 LEU HA 1 80 TYR HA 2.100 . 5.000 2.733 2.733 2.733 . 0 0 "[ ]" 1 474 1 67 ASN HA 1 77 LYS HA 2.100 . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1 475 1 11 TYR HB3 1 76 ILE HA 3.100 . 4.500 1.830 1.830 1.830 . 0 0 "[ ]" 1 476 1 11 TYR HB2 1 76 ILE HA 3.100 . 4.500 2.084 2.084 2.084 . 0 0 "[ ]" 1 477 1 38 ARG HA 1 46 LEU H 3.100 . 4.500 4.502 4.502 4.502 0.002 1 0 "[ ]" 1 478 1 38 ARG HA 1 45 SER HA 2.600 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1 479 1 6 ASN H 1 6 ASN HB3 2.600 . 3.500 3.370 3.370 3.370 . 0 0 "[ ]" 1 480 1 6 ASN HA 1 6 ASN HB3 2.600 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1 481 1 7 LEU H 1 7 LEU MD2 3.900 . 6.000 2.581 2.581 2.581 . 0 0 "[ ]" 1 482 1 7 LEU HA 1 7 LEU MD1 3.100 . 4.500 1.844 1.844 1.844 . 0 0 "[ ]" 1 483 1 7 LEU HB3 1 7 LEU MD1 3.100 . 4.500 2.401 2.401 2.401 . 0 0 "[ ]" 1 484 1 8 ILE HA 1 8 ILE HB 2.600 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1 485 1 8 ILE H 1 8 ILE HB 2.600 . 3.500 2.880 2.880 2.880 . 0 0 "[ ]" 1 486 1 8 ILE H 1 8 ILE MG 3.100 . 4.500 1.856 1.856 1.856 . 0 0 "[ ]" 1 487 1 8 ILE HB 1 8 ILE MD 3.100 . 4.500 2.295 2.295 2.295 . 0 0 "[ ]" 1 488 1 8 ILE MD 1 8 ILE MG 3.600 . 5.500 1.950 1.950 1.950 . 0 0 "[ ]" 1 489 1 8 ILE HA 1 8 ILE QG 2.900 . 4.000 2.432 2.432 2.432 . 0 0 "[ ]" 1 490 1 9 VAL H 1 9 VAL HB 2.600 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1 491 1 9 VAL H 1 9 VAL MG2 3.100 . 4.500 2.274 2.274 2.274 . 0 0 "[ ]" 1 492 1 9 VAL HA 1 9 VAL MG2 2.900 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1 493 1 9 VAL HA 1 9 VAL MG1 2.900 . 4.000 2.360 2.360 2.360 . 0 0 "[ ]" 1 494 1 12 LEU H 1 12 LEU HG 2.600 . 3.500 2.168 2.168 2.168 . 0 0 "[ ]" 1 495 1 12 LEU H 1 12 LEU MD1 3.100 . 4.500 3.743 3.743 3.743 . 0 0 "[ ]" 1 496 1 12 LEU HA 1 12 LEU MD2 3.100 . 4.500 1.934 1.934 1.934 . 0 0 "[ ]" 1 497 1 12 LEU HA 1 12 LEU HG 2.600 . 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 1 498 1 15 ASN H 1 15 ASN HB3 2.600 . 3.500 2.430 2.430 2.430 . 0 0 "[ ]" 1 499 1 15 ASN HA 1 15 ASN HB3 2.600 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1 500 1 15 ASN HA 1 15 ASN HB2 2.600 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1 501 1 16 MET H 1 16 MET HB2 2.600 . 3.500 2.371 2.371 2.371 . 0 0 "[ ]" 1 502 1 16 MET H 1 16 MET HB3 2.600 . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1 503 1 16 MET HA 1 16 MET HB2 2.600 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1 504 1 17 THR H 1 17 THR MG 3.100 . 4.500 2.488 2.488 2.488 . 0 0 "[ ]" 1 505 1 19 ASP H 1 19 ASP HB3 2.600 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1 506 1 19 ASP HA 1 19 ASP HB3 2.600 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1 507 1 19 ASP HA 1 19 ASP HB2 2.600 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1 508 1 21 PHE HA 1 21 PHE QD 2.600 . 3.500 1.946 1.946 1.946 . 0 0 "[ ]" 1 509 1 21 PHE HB2 1 21 PHE QD 3.100 . 4.500 2.731 2.731 2.731 . 0 0 "[ ]" 1 510 1 21 PHE HB3 1 21 PHE QD 3.100 . 4.500 2.319 2.319 2.319 . 0 0 "[ ]" 1 511 1 21 PHE H 1 21 PHE HB2 2.600 . 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 1 512 1 21 PHE H 1 21 PHE HB3 2.600 . 3.500 2.635 2.635 2.635 . 0 0 "[ ]" 1 513 1 21 PHE HA 1 21 PHE HB2 2.600 . 3.500 2.548 2.548 2.548 . 0 0 "[ ]" 1 514 1 22 LYS H 1 22 LYS HA 2.600 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1 515 1 22 LYS H 1 22 LYS HB2 2.600 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1 516 1 22 LYS H 1 22 LYS HB3 2.600 . 3.500 2.756 2.756 2.756 . 0 0 "[ ]" 1 517 1 22 LYS HA 1 22 LYS HB2 2.600 . 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 1 518 1 22 LYS HA 1 22 LYS QG 2.900 . 4.000 2.301 2.301 2.301 . 0 0 "[ ]" 1 519 1 23 SER H 1 23 SER QB 2.500 . 3.100 2.185 2.185 2.185 . 0 0 "[ ]" 1 520 1 24 LEU H 1 24 LEU HB2 2.600 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1 521 1 24 LEU HB3 1 24 LEU MD1 3.100 . 4.500 2.195 2.195 2.195 . 0 0 "[ ]" 1 522 1 24 LEU HA 1 24 LEU MD2 3.900 . 6.000 1.844 1.844 1.844 . 0 0 "[ ]" 1 523 1 25 PHE HA 1 25 PHE QD 3.100 . 4.500 3.048 3.048 3.048 . 0 0 "[ ]" 1 524 1 25 PHE HB2 1 25 PHE QD 3.100 . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1 525 1 25 PHE HB3 1 25 PHE QD 3.100 . 4.500 2.320 2.320 2.320 . 0 0 "[ ]" 1 526 1 25 PHE H 1 25 PHE HB2 2.600 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1 527 1 25 PHE HA 1 25 PHE HB3 2.600 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1 528 1 26 GLY H 1 26 GLY HA3 2.600 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1 529 1 28 ILE H 1 28 ILE HB 2.600 . 3.500 2.848 2.848 2.848 . 0 0 "[ ]" 1 530 1 28 ILE H 1 28 ILE QG 3.100 . 4.500 2.922 2.922 2.922 . 0 0 "[ ]" 1 531 1 28 ILE HB 1 28 ILE MD 3.100 . 4.500 2.399 2.399 2.399 . 0 0 "[ ]" 1 532 1 28 ILE HA 1 28 ILE MG 3.100 . 4.500 2.388 2.388 2.388 . 0 0 "[ ]" 1 533 1 31 ILE H 1 31 ILE HB 2.600 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1 534 1 31 ILE H 1 31 ILE QG 3.100 . 4.500 2.122 2.122 2.122 . 0 0 "[ ]" 1 535 1 31 ILE H 1 31 ILE MD 3.100 . 6.000 2.905 2.905 2.905 . 0 0 "[ ]" 1 536 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.318 2.318 2.318 . 0 0 "[ ]" 1 537 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.414 2.414 2.414 . 0 0 "[ ]" 1 538 1 32 GLU H 1 32 GLU HA 2.600 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1 539 1 32 GLU H 1 32 GLU QB 2.900 . 4.000 2.271 2.271 2.271 . 0 0 "[ ]" 1 540 1 32 GLU H 1 32 GLU QG 3.900 . 6.000 2.692 2.692 2.692 . 0 0 "[ ]" 1 541 1 34 CYS HB2 1 34 CYS HG 2.600 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 1 542 1 34 CYS H 1 34 CYS HG 3.400 . 5.000 2.756 2.756 2.756 . 0 0 "[ ]" 1 543 1 34 CYS HA 1 34 CYS HB3 2.600 . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1 544 1 36 LEU HA 1 36 LEU HG 2.600 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1 545 1 36 LEU H 1 36 LEU HG 3.400 . 5.000 4.366 4.366 4.366 . 0 0 "[ ]" 1 546 1 36 LEU H 1 36 LEU HB2 2.600 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1 547 1 36 LEU H 1 36 LEU HB3 2.600 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1 548 1 36 LEU HA 1 36 LEU HB2 2.600 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1 549 1 36 LEU HA 1 36 LEU MD2 3.100 . 4.500 3.052 3.052 3.052 . 0 0 "[ ]" 1 550 1 36 LEU HB2 1 36 LEU MD1 3.100 . 4.500 2.236 2.236 2.236 . 0 0 "[ ]" 1 551 1 36 LEU HB3 1 36 LEU MD1 3.100 . 4.500 2.482 2.482 2.482 . 0 0 "[ ]" 1 552 1 37 VAL H 1 37 VAL HB 2.600 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1 553 1 37 VAL H 1 37 VAL MG2 3.100 . 4.500 2.071 2.071 2.071 . 0 0 "[ ]" 1 554 1 37 VAL HA 1 37 VAL MG2 2.500 . 3.100 2.447 2.447 2.447 . 0 0 "[ ]" 1 555 1 37 VAL HA 1 37 VAL MG1 2.500 . 3.100 2.282 2.282 2.282 . 0 0 "[ ]" 1 556 1 50 PHE HA 1 50 PHE HB3 2.600 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1 557 1 50 PHE H 1 50 PHE HB2 2.600 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1 558 1 50 PHE H 1 50 PHE QD 3.600 . 5.500 3.605 3.605 3.605 . 0 0 "[ ]" 1 559 1 51 VAL H 1 51 VAL HB 2.600 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 1 560 1 51 VAL H 1 51 VAL MG2 3.100 . 4.500 3.315 3.315 3.315 . 0 0 "[ ]" 1 561 1 53 TYR H 1 53 TYR HB2 2.600 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1 562 1 53 TYR HA 1 53 TYR HB3 2.600 . 3.500 2.612 2.612 2.612 . 0 0 "[ ]" 1 563 1 59 ALA H 1 59 ALA MB 2.500 . 3.100 2.242 2.242 2.242 . 0 0 "[ ]" 1 564 1 62 ALA H 1 62 ALA MB 2.500 . 3.100 2.218 2.218 2.218 . 0 0 "[ ]" 1 565 1 63 ILE H 1 63 ILE HB 2.600 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1 566 1 63 ILE H 1 63 ILE QG 3.100 . 4.500 2.770 2.770 2.770 . 0 0 "[ ]" 1 567 1 63 ILE HB 1 63 ILE MD 3.100 . 4.500 2.226 2.226 2.226 . 0 0 "[ ]" 1 568 1 71 LEU H 1 71 LEU MD1 3.100 . 4.500 3.400 3.400 3.400 . 0 0 "[ ]" 1 569 1 73 THR H 1 73 THR HA 2.600 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1 570 1 73 THR H 1 73 THR MG 3.100 . 4.500 3.045 3.045 3.045 . 0 0 "[ ]" 1 571 1 75 THR H 1 75 THR HB 2.600 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1 572 1 75 THR HA 1 75 THR MG 2.900 . 4.000 2.179 2.179 2.179 . 0 0 "[ ]" 1 573 1 76 ILE H 1 76 ILE HB 2.600 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1 574 1 78 VAL H 1 78 VAL HB 2.600 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1 575 1 78 VAL HA 1 78 VAL MG1 2.900 . 4.000 2.376 2.376 2.376 . 0 0 "[ ]" 1 576 1 78 VAL HA 1 78 VAL MG2 2.900 . 4.000 2.249 2.249 2.249 . 0 0 "[ ]" 1 577 1 78 VAL H 1 78 VAL MG2 3.100 . 4.500 2.514 2.514 2.514 . 0 0 "[ ]" 1 578 1 80 TYR H 1 80 TYR HB2 2.600 . 3.500 2.333 2.333 2.333 . 0 0 "[ ]" 1 579 1 14 GLN HA 1 15 ASN H 2.600 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1 580 1 30 ASP HA 1 32 GLU H 3.100 . 5.000 5.064 5.064 5.064 0.064 1 0 "[ ]" 1 581 1 35 LYS H 1 36 LEU H 3.100 . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1 582 1 34 CYS HB2 1 35 LYS H 3.100 . 5.000 3.184 3.184 3.184 . 0 0 "[ ]" 1 583 1 4 LYS QG 1 6 ASN QD 3.900 . 6.000 2.011 2.011 2.011 . 0 0 "[ ]" 1 584 1 8 ILE MD 1 10 ASN QD 3.100 . 4.500 1.982 1.982 1.982 . 0 0 "[ ]" 1 585 1 8 ILE MG 1 10 ASN QD 3.100 . 4.500 2.851 2.851 2.851 . 0 0 "[ ]" 1 586 1 10 ASN QD 1 48 TYR QB 3.900 . 6.000 2.122 2.122 2.122 . 0 0 "[ ]" 1 587 1 10 ASN HA 1 10 ASN QD 2.600 . 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 1 588 1 14 GLN QB 1 14 GLN QE 3.100 . 4.500 3.311 3.311 3.311 . 0 0 "[ ]" 1 589 1 15 ASN HB2 1 15 ASN HD21 2.600 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1 590 1 57 ASN H 1 57 ASN QD 2.600 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 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 58 _Distance_constraint_stats_list.Viol_count 10 _Distance_constraint_stats_list.Viol_total 2.650 _Distance_constraint_stats_list.Viol_max 1.870 _Distance_constraint_stats_list.Viol_rms 0.2591 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0457 _Distance_constraint_stats_list.Viol_average_violations_only 0.2650 _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 7 LEU 0.000 0.000 . 0 "[ ]" 1 8 ILE 0.000 0.000 . 0 "[ ]" 1 9 VAL 0.000 0.000 . 0 "[ ]" 1 10 ASN 0.019 0.019 1 0 "[ ]" 1 11 TYR 0.000 0.000 . 0 "[ ]" 1 13 PRO 0.010 0.010 1 0 "[ ]" 1 16 MET 2.524 1.870 1 1 [+] 1 17 THR 0.000 0.000 . 0 "[ ]" 1 18 GLN 0.006 0.006 1 0 "[ ]" 1 19 ASP 0.000 0.000 . 0 "[ ]" 1 20 GLU 2.525 1.870 1 1 [+] 1 21 PHE 0.000 0.000 . 0 "[ ]" 1 22 LYS 0.006 0.006 1 0 "[ ]" 1 23 SER 0.000 0.000 . 0 "[ ]" 1 24 LEU 0.011 0.011 1 0 "[ ]" 1 25 PHE 0.000 0.000 . 0 "[ ]" 1 26 GLY 0.000 0.000 . 0 "[ ]" 1 33 SER 0.012 0.012 1 0 "[ ]" 1 35 LYS 0.000 0.000 . 0 "[ ]" 1 37 VAL 0.000 0.000 . 0 "[ ]" 1 47 GLY 0.000 0.000 . 0 "[ ]" 1 48 TYR 0.000 0.000 . 0 "[ ]" 1 49 GLY 0.000 0.000 . 0 "[ ]" 1 50 PHE 0.000 0.000 . 0 "[ ]" 1 51 VAL 0.000 0.000 . 0 "[ ]" 1 52 ASN 0.012 0.012 1 0 "[ ]" 1 55 ASP 0.019 0.019 1 0 "[ ]" 1 56 PRO 0.000 0.000 . 0 "[ ]" 1 57 ASN 0.000 0.000 . 0 "[ ]" 1 58 ASP 0.000 0.000 . 0 "[ ]" 1 59 ALA 0.041 0.023 1 0 "[ ]" 1 60 ASP 0.000 0.000 . 0 "[ ]" 1 61 LYS 0.000 0.000 . 0 "[ ]" 1 62 ALA 0.000 0.000 . 0 "[ ]" 1 63 ILE 0.023 0.023 1 0 "[ ]" 1 66 LEU 0.037 0.037 1 0 "[ ]" 1 69 LEU 0.000 0.000 . 0 "[ ]" 1 71 LEU 0.000 0.000 . 0 "[ ]" 1 74 LYS 0.000 0.000 . 0 "[ ]" 1 76 ILE 0.000 0.000 . 0 "[ ]" 1 77 LYS 0.019 0.019 1 0 "[ ]" 1 78 VAL 0.037 0.037 1 0 "[ ]" 1 79 SER 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 LEU N 1 51 VAL O 3.300 2.500 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 2 2 1 7 LEU H 1 51 VAL O 2.300 . 2.500 2.078 2.078 2.078 . 0 0 "[ ]" 2 3 1 7 LEU O 1 51 VAL N 3.300 2.500 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 2 4 1 7 LEU O 1 51 VAL H 2.300 . 2.500 2.138 2.138 2.138 . 0 0 "[ ]" 2 5 1 9 VAL N 1 49 GLY O 3.300 2.500 3.500 3.000 3.000 3.000 . 0 0 "[ ]" 2 6 1 9 VAL H 1 49 GLY O 2.300 . 2.500 2.134 2.134 2.134 . 0 0 "[ ]" 2 7 1 8 ILE N 1 79 SER O 3.300 2.500 3.500 2.818 2.818 2.818 . 0 0 "[ ]" 2 8 1 8 ILE H 1 79 SER O 2.300 . 2.500 2.100 2.100 2.100 . 0 0 "[ ]" 2 9 1 8 ILE O 1 79 SER N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 2 10 1 8 ILE O 1 79 SER H 2.300 . 2.500 2.336 2.336 2.336 . 0 0 "[ ]" 2 11 1 10 ASN N 1 77 LYS O 3.300 2.500 3.500 3.394 3.394 3.394 . 0 0 "[ ]" 2 12 1 10 ASN H 1 77 LYS O 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 2 13 1 37 VAL N 1 48 TYR O 3.300 2.500 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 2 14 1 37 VAL H 1 48 TYR O 2.300 . 2.500 2.411 2.411 2.411 . 0 0 "[ ]" 2 15 1 35 LYS O 1 50 PHE N 3.300 2.500 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 2 16 1 35 LYS O 1 50 PHE H 2.300 . 2.500 2.095 2.095 2.095 . 0 0 "[ ]" 2 17 1 35 LYS N 1 50 PHE O 3.300 2.500 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 2 18 1 35 LYS H 1 50 PHE O 2.300 . 2.500 2.102 2.102 2.102 . 0 0 "[ ]" 2 19 1 33 SER O 1 52 ASN N 3.300 2.500 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 2 20 1 33 SER O 1 52 ASN H 2.300 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 2 21 1 11 TYR N 1 47 GLY O 3.300 2.500 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 2 22 1 11 TYR H 1 47 GLY O 2.300 . 2.500 2.470 2.470 2.470 . 0 0 "[ ]" 2 23 1 69 LEU N 1 76 ILE O 3.300 2.500 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 2 24 1 69 LEU H 1 76 ILE O 2.300 . 2.500 2.156 2.156 2.156 . 0 0 "[ ]" 2 25 1 17 THR O 1 21 PHE N 3.300 2.500 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 2 26 1 17 THR O 1 21 PHE H 2.300 . 2.500 2.100 2.100 2.100 . 0 0 "[ ]" 2 27 1 18 GLN O 1 22 LYS N 3.300 2.500 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 2 28 1 18 GLN O 1 22 LYS H 2.300 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 2 29 1 19 ASP O 1 23 SER N 3.300 2.500 3.500 3.309 3.309 3.309 . 0 0 "[ ]" 2 30 1 19 ASP O 1 23 SER H 2.300 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 2 31 1 20 GLU O 1 24 LEU N 3.300 2.500 3.500 3.380 3.380 3.380 . 0 0 "[ ]" 2 32 1 20 GLU O 1 24 LEU H 2.300 . 2.500 2.511 2.511 2.511 0.011 1 0 "[ ]" 2 33 1 21 PHE O 1 25 PHE N 3.300 2.500 3.500 3.385 3.385 3.385 . 0 0 "[ ]" 2 34 1 21 PHE O 1 25 PHE H 2.300 . 2.500 2.432 2.432 2.432 . 0 0 "[ ]" 2 35 1 22 LYS O 1 26 GLY N 3.300 2.500 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 2 36 1 22 LYS O 1 26 GLY H 2.300 . 2.500 2.195 2.195 2.195 . 0 0 "[ ]" 2 37 1 13 PRO O 1 16 MET N 3.300 2.500 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 2 38 1 13 PRO O 1 16 MET H 2.300 . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 2 39 1 56 PRO O 1 60 ASP N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 2 40 1 56 PRO O 1 60 ASP H 2.300 . 2.500 2.118 2.118 2.118 . 0 0 "[ ]" 2 41 1 55 ASP O 1 59 ALA N 3.300 2.500 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 2 42 1 55 ASP O 1 59 ALA H 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 2 43 1 57 ASN O 1 61 LYS N 3.300 2.500 3.500 3.232 3.232 3.232 . 0 0 "[ ]" 2 44 1 57 ASN O 1 61 LYS H 2.300 . 2.500 2.483 2.483 2.483 . 0 0 "[ ]" 2 45 1 58 ASP O 1 62 ALA N 3.300 2.500 3.500 3.257 3.257 3.257 . 0 0 "[ ]" 2 46 1 58 ASP O 1 62 ALA H 2.300 . 2.500 2.365 2.365 2.365 . 0 0 "[ ]" 2 47 1 59 ALA O 1 63 ILE N 3.300 2.500 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 2 48 1 59 ALA O 1 63 ILE H 2.300 . 2.500 2.523 2.523 2.523 0.023 1 0 "[ ]" 2 49 1 62 ALA O 1 66 LEU N 3.300 2.500 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 2 50 1 62 ALA O 1 66 LEU H 2.300 . 2.500 2.216 2.216 2.216 . 0 0 "[ ]" 2 51 1 69 LEU O 1 76 ILE N 3.300 2.500 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 2 52 1 69 LEU O 1 76 ILE H 2.300 . 2.500 2.108 2.108 2.108 . 0 0 "[ ]" 2 53 1 66 LEU O 1 78 VAL N 3.300 2.500 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 2 54 1 66 LEU O 1 78 VAL H 2.300 . 2.500 2.537 2.537 2.537 0.037 1 0 "[ ]" 2 55 1 71 LEU N 1 74 LYS O 3.300 2.500 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 2 56 1 71 LEU H 1 74 LYS O 2.300 . 2.500 2.097 2.097 2.097 . 0 0 "[ ]" 2 57 1 16 MET N 1 20 GLU OE1 3.300 2.500 3.500 4.144 4.144 4.144 0.644 1 1 [+] 2 58 1 16 MET H 1 20 GLU OE1 2.300 . 2.500 4.370 4.370 4.370 1.870 1 1 [+] 2 stop_ save_
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