NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | subtype | subsubtype |
369444 | 1bbn | 4094 | cing | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bbn 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 583 _Distance_constraint_stats_list.Viol_count 36 _Distance_constraint_stats_list.Viol_total 1.941 _Distance_constraint_stats_list.Viol_max 0.202 _Distance_constraint_stats_list.Viol_rms 0.0177 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0539 _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 3 GLU 0.000 0.000 . 0 "[ ]" 1 4 ALA 0.000 0.000 . 0 "[ ]" 1 5 HIS 0.004 0.004 1 0 "[ ]" 1 6 LYS 0.000 0.000 . 0 "[ ]" 1 7 CYS 0.004 0.004 1 0 "[ ]" 1 8 ASP 0.079 0.079 1 0 "[ ]" 1 9 ILE 0.079 0.079 1 0 "[ ]" 1 10 THR 0.028 0.028 1 0 "[ ]" 1 11 LEU 0.028 0.028 1 0 "[ ]" 1 12 GLN 0.008 0.008 1 0 "[ ]" 1 13 GLU 0.008 0.008 1 0 "[ ]" 1 14 ILE 0.000 0.000 . 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 16 LYS 0.014 0.014 1 0 "[ ]" 1 17 THR 0.014 0.014 1 0 "[ ]" 1 18 LEU 0.000 0.000 . 0 "[ ]" 1 19 ASN 0.000 0.000 . 0 "[ ]" 1 20 SER 0.000 0.000 . 0 "[ ]" 1 21 LEU 0.000 0.000 . 0 "[ ]" 1 22 THR 0.000 0.000 . 0 "[ ]" 1 23 GLU 0.077 0.077 1 0 "[ ]" 1 24 GLN 0.163 0.086 1 0 "[ ]" 1 25 LYS 0.086 0.086 1 0 "[ ]" 1 26 THR 0.000 0.000 . 0 "[ ]" 1 27 LEU 0.018 0.018 1 0 "[ ]" 1 28 CYS 0.018 0.018 1 0 "[ ]" 1 29 THR 0.000 0.000 . 0 "[ ]" 1 30 GLU 0.000 0.000 . 0 "[ ]" 1 31 LEU 0.202 0.202 1 0 "[ ]" 1 32 THR 0.202 0.202 1 0 "[ ]" 1 33 VAL 0.000 0.000 . 0 "[ ]" 1 34 THR 0.000 0.000 . 0 "[ ]" 1 35 ASP 0.000 0.000 . 0 "[ ]" 1 36 ILE 0.000 0.000 . 0 "[ ]" 1 37 PHE 0.000 0.000 . 0 "[ ]" 1 38 ALA 0.015 0.015 1 0 "[ ]" 1 39 ALA 0.015 0.015 1 0 "[ ]" 1 40 SER 0.000 0.000 . 0 "[ ]" 1 41 LYS 0.000 0.000 . 0 "[ ]" 1 42 ASP 0.000 0.000 . 0 "[ ]" 1 43 THR 0.000 0.000 . 0 "[ ]" 1 44 THR 0.151 0.151 1 0 "[ ]" 1 45 GLU 0.000 0.000 . 0 "[ ]" 1 46 LYS 0.000 0.000 . 0 "[ ]" 1 47 GLU 0.000 0.000 . 0 "[ ]" 1 48 THR 0.151 0.151 1 0 "[ ]" 1 49 PHE 0.000 0.000 . 0 "[ ]" 1 50 CYS 0.000 0.000 . 0 "[ ]" 1 51 ARG 0.000 0.000 . 0 "[ ]" 1 52 ALA 0.000 0.000 . 0 "[ ]" 1 53 ALA 0.000 0.000 . 0 "[ ]" 1 54 THR 0.000 0.000 . 0 "[ ]" 1 55 VAL 0.000 0.000 . 0 "[ ]" 1 56 LEU 0.000 0.000 . 0 "[ ]" 1 57 ARG 0.000 0.000 . 0 "[ ]" 1 58 GLN 0.005 0.005 1 0 "[ ]" 1 59 PHE 0.005 0.005 1 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 61 SER 0.000 0.000 . 0 "[ ]" 1 62 HIS 0.000 0.000 . 0 "[ ]" 1 63 HIS 0.000 0.000 . 0 "[ ]" 1 64 GLU 0.000 0.000 . 0 "[ ]" 1 66 ASP 0.000 0.000 . 0 "[ ]" 1 67 THR 0.071 0.051 1 0 "[ ]" 1 68 ARG 0.000 0.000 . 0 "[ ]" 1 69 CYS 0.060 0.051 1 0 "[ ]" 1 70 LEU 0.029 0.020 1 0 "[ ]" 1 71 GLY 0.000 0.000 . 0 "[ ]" 1 72 ALA 0.000 0.000 . 0 "[ ]" 1 73 THR 0.000 0.000 . 0 "[ ]" 1 74 ALA 0.000 0.000 . 0 "[ ]" 1 75 GLN 0.000 0.000 . 0 "[ ]" 1 76 GLN 0.000 0.000 . 0 "[ ]" 1 77 PHE 0.000 0.000 . 0 "[ ]" 1 78 HIS 0.036 0.036 1 0 "[ ]" 1 79 ARG 0.036 0.036 1 0 "[ ]" 1 80 HIS 0.000 0.000 . 0 "[ ]" 1 81 LYS 0.032 0.032 1 0 "[ ]" 1 82 GLN 0.032 0.032 1 0 "[ ]" 1 83 LEU 0.000 0.000 . 0 "[ ]" 1 84 ILE 0.026 0.026 1 0 "[ ]" 1 85 ARG 0.098 0.072 1 0 "[ ]" 1 86 PHE 0.072 0.072 1 0 "[ ]" 1 87 LEU 0.000 0.000 . 0 "[ ]" 1 88 LYS 0.000 0.000 . 0 "[ ]" 1 89 ARG 0.058 0.058 1 0 "[ ]" 1 90 LEU 0.058 0.058 1 0 "[ ]" 1 91 ASP 0.000 0.000 . 0 "[ ]" 1 92 ARG 0.023 0.023 1 0 "[ ]" 1 93 ASN 0.023 0.023 1 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 TRP 0.000 0.000 . 0 "[ ]" 1 96 GLY 0.000 0.000 . 0 "[ ]" 1 97 LEU 0.000 0.000 . 0 "[ ]" 1 98 ALA 0.058 0.058 1 0 "[ ]" 1 99 GLY 0.058 0.058 1 0 "[ ]" 1 100 LEU 0.000 0.000 . 0 "[ ]" 1 101 ASN 0.000 0.000 . 0 "[ ]" 1 102 SER 0.000 0.000 . 0 "[ ]" 1 103 CYS 0.023 0.023 1 0 "[ ]" 1 104 PRO 0.000 0.000 . 0 "[ ]" 1 105 VAL 0.023 0.023 1 0 "[ ]" 1 106 LYS 0.000 0.000 . 0 "[ ]" 1 107 GLU 0.064 0.064 1 0 "[ ]" 1 108 ALA 0.000 0.000 . 0 "[ ]" 1 109 ASP 0.113 0.064 1 0 "[ ]" 1 110 GLN 0.000 0.000 . 0 "[ ]" 1 111 SER 0.049 0.049 1 0 "[ ]" 1 112 THR 0.000 0.000 . 0 "[ ]" 1 113 LEU 0.000 0.000 . 0 "[ ]" 1 114 GLU 0.068 0.068 1 0 "[ ]" 1 115 ASN 0.068 0.068 1 0 "[ ]" 1 116 PHE 0.000 0.000 . 0 "[ ]" 1 117 LEU 0.000 0.000 . 0 "[ ]" 1 118 GLU 0.063 0.063 1 0 "[ ]" 1 119 ARG 0.258 0.194 1 0 "[ ]" 1 120 LEU 0.000 0.000 . 0 "[ ]" 1 121 LYS 0.017 0.017 1 0 "[ ]" 1 122 THR 0.385 0.194 1 0 "[ ]" 1 123 ILE 0.238 0.135 1 0 "[ ]" 1 124 MET 0.124 0.065 1 0 "[ ]" 1 125 ARG 0.138 0.061 1 0 "[ ]" 1 126 GLU 0.078 0.061 1 0 "[ ]" 1 127 LYS 0.000 0.000 . 0 "[ ]" 1 128 TYR 0.000 0.000 . 0 "[ ]" 1 129 SER 0.000 0.000 . 0 "[ ]" 1 130 LYS 0.000 0.000 . 0 "[ ]" 1 131 CYS 0.014 0.014 1 0 "[ ]" 1 132 SER 0.014 0.014 1 0 "[ ]" 1 133 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 3 GLU QB 1 4 ALA H 4.000 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 1 2 1 4 ALA HA 1 5 HIS H 3.000 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1 3 1 6 LYS QB 1 7 CYS H 3.000 . 4.300 3.728 3.728 3.728 . 0 0 "[ ]" 1 4 1 6 LYS HA 1 7 CYS H 2.500 . 2.700 2.212 2.212 2.212 . 0 0 "[ ]" 1 5 1 7 CYS H 1 8 ASP H 3.000 . 3.500 1.840 1.840 1.840 . 0 0 "[ ]" 1 6 1 8 ASP QB 1 9 ILE H 2.500 . 3.700 2.460 2.460 2.460 . 0 0 "[ ]" 1 7 1 8 ASP HA 1 9 ILE H 3.000 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1 8 1 9 ILE HB 1 10 THR H 3.000 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1 9 1 9 ILE MG 1 10 THR HA 4.000 . 5.800 3.014 3.014 3.014 . 0 0 "[ ]" 1 10 1 9 ILE H 1 10 THR H 3.000 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1 11 1 10 THR HB 1 11 LEU H 2.500 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1 12 1 10 THR H 1 11 LEU H 3.000 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1 13 1 11 LEU QB 1 12 GLN H 3.000 . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1 14 1 11 LEU HA 1 12 GLN H 4.000 . 5.000 3.614 3.614 3.614 . 0 0 "[ ]" 1 15 1 11 LEU H 1 12 GLN H 2.500 . 2.900 2.646 2.646 2.646 . 0 0 "[ ]" 1 16 1 12 GLN QB 1 13 GLU H 3.000 . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1 17 1 12 GLN HA 1 13 GLU H 3.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1 18 1 12 GLN H 1 13 GLU H 2.500 . 2.900 2.670 2.670 2.670 . 0 0 "[ ]" 1 19 1 13 GLU QB 1 14 ILE H 2.500 . 3.700 2.723 2.723 2.723 . 0 0 "[ ]" 1 20 1 13 GLU H 1 14 ILE H 2.500 . 2.900 2.430 2.430 2.430 . 0 0 "[ ]" 1 21 1 14 ILE HB 1 15 ILE H 3.000 . 3.500 3.449 3.449 3.449 . 0 0 "[ ]" 1 22 1 14 ILE H 1 15 ILE H 2.500 . 2.900 2.593 2.593 2.593 . 0 0 "[ ]" 1 23 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.537 2.537 2.537 . 0 0 "[ ]" 1 24 1 15 ILE HA 1 16 LYS H 4.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1 25 1 15 ILE H 1 16 LYS H 3.000 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1 26 1 16 LYS QB 1 17 THR H 2.500 . 3.700 2.828 2.828 2.828 . 0 0 "[ ]" 1 27 1 16 LYS HA 1 17 THR H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1 28 1 16 LYS H 1 17 THR H 2.500 . 2.900 2.651 2.651 2.651 . 0 0 "[ ]" 1 29 1 17 THR HB 1 18 LEU H 2.500 . 2.700 2.620 2.620 2.620 . 0 0 "[ ]" 1 30 1 17 THR H 1 18 LEU H 2.500 . 2.900 2.512 2.512 2.512 . 0 0 "[ ]" 1 31 1 18 LEU QB 1 19 ASN H 2.500 . 3.700 2.766 2.766 2.766 . 0 0 "[ ]" 1 32 1 18 LEU H 1 19 ASN H 3.000 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1 33 1 19 ASN QB 1 20 SER H 2.500 . 3.700 2.912 2.912 2.912 . 0 0 "[ ]" 1 34 1 19 ASN H 1 20 SER H 3.000 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1 35 1 20 SER QB 1 21 LEU H 3.000 . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1 36 1 20 SER HA 1 21 LEU H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1 37 1 20 SER H 1 21 LEU H 2.500 . 2.900 2.668 2.668 2.668 . 0 0 "[ ]" 1 38 1 21 LEU QB 1 22 THR H 3.000 . 4.500 3.107 3.107 3.107 . 0 0 "[ ]" 1 39 1 21 LEU HA 1 22 THR H 3.000 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1 40 1 21 LEU H 1 22 THR H 3.000 . 3.500 2.595 2.595 2.595 . 0 0 "[ ]" 1 41 1 22 THR HB 1 23 GLU H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1 42 1 22 THR HA 1 23 GLU H 3.000 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1 43 1 22 THR H 1 23 GLU H 3.000 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1 44 1 23 GLU HA 1 24 GLN H 3.000 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1 45 1 23 GLU H 1 24 GLN H 4.000 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1 46 1 24 GLN QB 1 25 LYS H 3.000 . 4.300 3.967 3.967 3.967 . 0 0 "[ ]" 1 47 1 24 GLN HA 1 25 LYS H 2.500 . 2.700 2.451 2.451 2.451 . 0 0 "[ ]" 1 48 1 24 GLN H 1 25 LYS H 3.000 . 3.500 3.586 3.586 3.586 0.086 1 0 "[ ]" 1 49 1 25 LYS QB 1 26 THR H 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 1 50 1 25 LYS HA 1 26 THR H 3.000 . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1 51 1 26 THR HA 1 27 LEU H 4.000 . 5.000 3.559 3.559 3.559 . 0 0 "[ ]" 1 52 1 27 LEU HA 1 28 CYS H 3.000 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1 53 1 28 CYS QB 1 29 THR H 4.000 . 6.000 3.144 3.144 3.144 . 0 0 "[ ]" 1 54 1 28 CYS H 1 29 THR H 3.000 . 3.500 2.287 2.287 2.287 . 0 0 "[ ]" 1 55 1 29 THR MG 1 30 GLU QG 4.000 . 7.500 5.317 5.317 5.317 . 0 0 "[ ]" 1 56 1 31 LEU QB 1 32 THR H 3.000 . 4.500 3.707 3.707 3.707 . 0 0 "[ ]" 1 57 1 31 LEU H 1 32 THR H 3.000 . 3.500 3.702 3.702 3.702 0.202 1 0 "[ ]" 1 58 1 31 LEU HA 1 32 THR MG 4.000 . 6.500 4.298 4.298 4.298 . 0 0 "[ ]" 1 59 1 32 THR HB 1 33 VAL H 4.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1 60 1 32 THR HA 1 33 VAL H 3.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1 61 1 32 THR H 1 33 VAL H 4.000 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1 62 1 32 THR HA 1 33 VAL QG 4.000 . 7.400 3.320 3.320 3.320 . 0 0 "[ ]" 1 63 1 33 VAL HB 1 34 THR H 4.000 . 5.000 1.929 1.929 1.929 . 0 0 "[ ]" 1 64 1 34 THR HB 1 35 ASP H 4.000 . 5.000 4.405 4.405 4.405 . 0 0 "[ ]" 1 65 1 34 THR HA 1 35 ASP H 2.500 . 2.700 2.247 2.247 2.247 . 0 0 "[ ]" 1 66 1 34 THR H 1 35 ASP H 4.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1 67 1 36 ILE H 1 37 PHE H 3.000 . 3.500 2.639 2.639 2.639 . 0 0 "[ ]" 1 68 1 36 ILE QG 1 37 PHE HA 4.000 . 6.000 3.597 3.597 3.597 . 0 0 "[ ]" 1 69 1 36 ILE MD 1 37 PHE HA 4.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1 70 1 36 ILE MD 1 37 PHE QE 3.000 . 6.800 3.324 3.324 3.324 . 0 0 "[ ]" 1 71 1 36 ILE QG 1 37 PHE QE 3.000 . 6.300 2.904 2.904 2.904 . 0 0 "[ ]" 1 72 1 36 ILE MG 1 37 PHE QE 4.000 . 8.500 4.492 4.492 4.492 . 0 0 "[ ]" 1 73 1 36 ILE MG 1 37 PHE QD 3.000 . 6.800 4.654 4.654 4.654 . 0 0 "[ ]" 1 74 1 36 ILE QG 1 37 PHE QD 3.000 . 6.300 3.092 3.092 3.092 . 0 0 "[ ]" 1 75 1 36 ILE MD 1 37 PHE HZ 3.000 . 4.800 3.215 3.215 3.215 . 0 0 "[ ]" 1 76 1 36 ILE QG 1 37 PHE HZ 3.000 . 4.300 3.418 3.418 3.418 . 0 0 "[ ]" 1 77 1 36 ILE MG 1 37 PHE HZ 4.000 . 6.500 5.292 5.292 5.292 . 0 0 "[ ]" 1 78 1 37 PHE QB 1 38 ALA H 3.000 . 4.500 3.759 3.759 3.759 . 0 0 "[ ]" 1 79 1 37 PHE HA 1 38 ALA H 3.000 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1 80 1 37 PHE H 1 38 ALA H 2.500 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1 81 1 38 ALA HA 1 39 ALA H 3.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1 82 1 38 ALA H 1 39 ALA H 3.000 . 3.500 2.215 2.215 2.215 . 0 0 "[ ]" 1 83 1 39 ALA MB 1 40 SER H 3.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1 84 1 39 ALA HA 1 40 SER H 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1 85 1 40 SER H 1 41 LYS H 4.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1 86 1 41 LYS QB 1 42 ASP H 3.000 . 4.500 2.186 2.186 2.186 . 0 0 "[ ]" 1 87 1 42 ASP QB 1 43 THR H 4.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1 88 1 42 ASP H 1 43 THR H 2.500 . 2.900 2.649 2.649 2.649 . 0 0 "[ ]" 1 89 1 43 THR HB 1 44 THR H 3.000 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1 90 1 44 THR HA 1 45 GLU H 3.000 . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1 91 1 44 THR H 1 45 GLU H 4.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1 92 1 46 LYS H 1 47 GLU H 3.000 . 3.500 2.798 2.798 2.798 . 0 0 "[ ]" 1 93 1 47 GLU QB 1 48 THR H 2.500 . 3.700 2.764 2.764 2.764 . 0 0 "[ ]" 1 94 1 47 GLU HA 1 48 THR H 4.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1 95 1 47 GLU H 1 48 THR H 3.000 . 3.500 2.644 2.644 2.644 . 0 0 "[ ]" 1 96 1 48 THR HA 1 49 PHE H 3.000 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1 97 1 48 THR H 1 49 PHE H 3.000 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1 98 1 48 THR HB 1 49 PHE QD 4.000 . 7.000 4.390 4.390 4.390 . 0 0 "[ ]" 1 99 1 48 THR MG 1 49 PHE QD 4.000 . 8.500 4.085 4.085 4.085 . 0 0 "[ ]" 1 100 1 49 PHE QB 1 50 CYS H 3.000 . 4.500 2.701 2.701 2.701 . 0 0 "[ ]" 1 101 1 49 PHE HA 1 50 CYS H 4.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1 102 1 49 PHE H 1 50 CYS H 3.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1 103 1 50 CYS QB 1 51 ARG H 3.000 . 4.500 2.624 2.624 2.624 . 0 0 "[ ]" 1 104 1 50 CYS H 1 51 ARG H 2.500 . 2.900 2.519 2.519 2.519 . 0 0 "[ ]" 1 105 1 51 ARG QB 1 52 ALA H 3.000 . 4.500 2.377 2.377 2.377 . 0 0 "[ ]" 1 106 1 51 ARG H 1 52 ALA H 2.500 . 2.900 2.682 2.682 2.682 . 0 0 "[ ]" 1 107 1 52 ALA MB 1 53 ALA H 3.000 . 5.000 3.029 3.029 3.029 . 0 0 "[ ]" 1 108 1 52 ALA HA 1 53 ALA H 3.000 . 3.500 3.444 3.444 3.444 . 0 0 "[ ]" 1 109 1 52 ALA H 1 53 ALA H 2.500 . 2.900 2.654 2.654 2.654 . 0 0 "[ ]" 1 110 1 53 ALA HA 1 54 THR H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1 111 1 53 ALA H 1 54 THR H 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1 112 1 54 THR H 1 55 VAL H 2.500 . 2.900 2.564 2.564 2.564 . 0 0 "[ ]" 1 113 1 54 THR MG 1 55 VAL HA 3.000 . 4.800 3.141 3.141 3.141 . 0 0 "[ ]" 1 114 1 55 VAL HB 1 56 LEU H 3.000 . 3.500 2.719 2.719 2.719 . 0 0 "[ ]" 1 115 1 55 VAL HA 1 56 LEU H 4.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1 116 1 55 VAL H 1 56 LEU H 3.000 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1 117 1 57 ARG H 1 58 GLN H 3.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1 118 1 58 GLN QB 1 59 PHE H 2.500 . 3.700 2.961 2.961 2.961 . 0 0 "[ ]" 1 119 1 58 GLN HA 1 59 PHE H 3.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1 120 1 58 GLN H 1 59 PHE H 3.000 . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1 121 1 59 PHE QB 1 60 TYR H 3.000 . 4.500 2.544 2.544 2.544 . 0 0 "[ ]" 1 122 1 59 PHE H 1 60 TYR H 3.000 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1 123 1 59 PHE QD 1 60 TYR QB 4.000 . 8.000 3.509 3.509 3.509 . 0 0 "[ ]" 1 124 1 60 TYR QB 1 61 SER H 3.000 . 4.500 3.670 3.670 3.670 . 0 0 "[ ]" 1 125 1 60 TYR HA 1 61 SER H 4.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1 126 1 60 TYR H 1 61 SER H 3.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1 127 1 60 TYR QD 1 61 SER HA 3.000 . 5.300 3.967 3.967 3.967 . 0 0 "[ ]" 1 128 1 61 SER QB 1 62 HIS H 3.000 . 4.500 2.461 2.461 2.461 . 0 0 "[ ]" 1 129 1 61 SER H 1 62 HIS H 2.500 . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1 130 1 62 HIS QB 1 63 HIS H 3.000 . 4.500 2.388 2.388 2.388 . 0 0 "[ ]" 1 131 1 62 HIS H 1 63 HIS H 2.500 . 2.900 2.644 2.644 2.644 . 0 0 "[ ]" 1 132 1 63 HIS QB 1 64 GLU H 3.000 . 4.500 3.035 3.035 3.035 . 0 0 "[ ]" 1 133 1 63 HIS HA 1 64 GLU H 4.000 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1 134 1 63 HIS H 1 64 GLU H 3.000 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1 135 1 67 THR HA 1 68 ARG H 3.000 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1 136 1 68 ARG QB 1 69 CYS H 4.000 . 6.000 2.258 2.258 2.258 . 0 0 "[ ]" 1 137 1 68 ARG HA 1 69 CYS H 4.000 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1 138 1 68 ARG H 1 69 CYS H 3.000 . 3.500 3.101 3.101 3.101 . 0 0 "[ ]" 1 139 1 69 CYS QB 1 70 LEU H 3.000 . 4.500 2.881 2.881 2.881 . 0 0 "[ ]" 1 140 1 69 CYS HA 1 70 LEU H 3.000 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1 141 1 69 CYS H 1 70 LEU H 3.000 . 3.500 2.610 2.610 2.610 . 0 0 "[ ]" 1 142 1 70 LEU QB 1 71 GLY H 4.000 . 6.000 2.147 2.147 2.147 . 0 0 "[ ]" 1 143 1 70 LEU H 1 71 GLY H 3.000 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1 144 1 71 GLY QA 1 72 ALA H 2.500 . 3.700 2.158 2.158 2.158 . 0 0 "[ ]" 1 145 1 71 GLY H 1 72 ALA H 4.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1 146 1 72 ALA MB 1 73 THR H 3.000 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1 147 1 72 ALA H 1 73 THR H 2.500 . 2.900 2.135 2.135 2.135 . 0 0 "[ ]" 1 148 1 75 GLN QB 1 76 GLN H 2.500 . 3.700 2.467 2.467 2.467 . 0 0 "[ ]" 1 149 1 76 GLN QB 1 77 PHE H 3.000 . 4.500 3.176 3.176 3.176 . 0 0 "[ ]" 1 150 1 76 GLN HA 1 77 PHE H 3.000 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1 151 1 76 GLN H 1 77 PHE H 2.500 . 2.900 2.716 2.716 2.716 . 0 0 "[ ]" 1 152 1 77 PHE QB 1 78 HIS H 3.000 . 4.500 2.510 2.510 2.510 . 0 0 "[ ]" 1 153 1 77 PHE HA 1 78 HIS H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1 154 1 78 HIS QB 1 79 ARG H 3.000 . 4.500 2.606 2.606 2.606 . 0 0 "[ ]" 1 155 1 78 HIS HA 1 79 ARG H 3.000 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1 156 1 78 HIS H 1 79 ARG H 3.000 . 3.500 2.579 2.579 2.579 . 0 0 "[ ]" 1 157 1 79 ARG QB 1 80 HIS H 3.000 . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1 158 1 79 ARG HA 1 80 HIS H 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1 159 1 79 ARG H 1 80 HIS H 4.000 . 5.000 2.604 2.604 2.604 . 0 0 "[ ]" 1 160 1 80 HIS QB 1 81 LYS H 3.000 . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 1 161 1 80 HIS H 1 81 LYS H 2.500 . 2.900 2.699 2.699 2.699 . 0 0 "[ ]" 1 162 1 81 LYS QB 1 82 GLN H 2.500 . 3.700 2.706 2.706 2.706 . 0 0 "[ ]" 1 163 1 81 LYS HA 1 82 GLN H 3.000 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1 164 1 81 LYS H 1 82 GLN H 2.500 . 2.900 2.705 2.705 2.705 . 0 0 "[ ]" 1 165 1 82 GLN QB 1 83 LEU H 3.000 . 4.500 2.857 2.857 2.857 . 0 0 "[ ]" 1 166 1 82 GLN HA 1 83 LEU H 4.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1 167 1 83 LEU QB 1 84 ILE H 3.000 . 4.500 2.499 2.499 2.499 . 0 0 "[ ]" 1 168 1 83 LEU H 1 84 ILE H 2.500 . 2.900 2.623 2.623 2.623 . 0 0 "[ ]" 1 169 1 84 ILE HB 1 85 ARG H 2.500 . 2.700 2.726 2.726 2.726 0.026 1 0 "[ ]" 1 170 1 84 ILE HA 1 85 ARG H 4.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1 171 1 84 ILE H 1 85 ARG H 2.500 . 2.900 2.694 2.694 2.694 . 0 0 "[ ]" 1 172 1 85 ARG QB 1 86 PHE H 2.500 . 3.700 2.441 2.441 2.441 . 0 0 "[ ]" 1 173 1 85 ARG HA 1 86 PHE H 3.000 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1 174 1 85 ARG H 1 86 PHE H 3.000 . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1 175 1 86 PHE QB 1 87 LEU H 4.000 . 6.000 2.857 2.857 2.857 . 0 0 "[ ]" 1 176 1 86 PHE HA 1 87 LEU H 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1 177 1 86 PHE H 1 87 LEU H 2.500 . 2.900 2.753 2.753 2.753 . 0 0 "[ ]" 1 178 1 87 LEU QB 1 88 LYS H 3.000 . 4.500 2.453 2.453 2.453 . 0 0 "[ ]" 1 179 1 87 LEU HA 1 88 LYS H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1 180 1 87 LEU H 1 88 LYS H 2.500 . 2.900 2.745 2.745 2.745 . 0 0 "[ ]" 1 181 1 87 LEU QD 1 88 LYS HG3 3.000 . 6.700 4.508 4.508 4.508 . 0 0 "[ ]" 1 182 1 87 LEU QD 1 88 LYS HG2 3.000 . 6.700 4.972 4.972 4.972 . 0 0 "[ ]" 1 183 1 88 LYS QB 1 89 ARG H 3.000 . 4.500 2.530 2.530 2.530 . 0 0 "[ ]" 1 184 1 88 LYS HA 1 89 ARG H 4.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1 185 1 88 LYS H 1 89 ARG H 2.500 . 2.900 2.854 2.854 2.854 . 0 0 "[ ]" 1 186 1 89 ARG QB 1 90 LEU H 2.500 . 3.700 2.507 2.507 2.507 . 0 0 "[ ]" 1 187 1 89 ARG HA 1 90 LEU H 3.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1 188 1 89 ARG H 1 90 LEU H 2.500 . 2.900 2.700 2.700 2.700 . 0 0 "[ ]" 1 189 1 90 LEU QB 1 91 ASP H 2.500 . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1 190 1 90 LEU HA 1 91 ASP H 3.000 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1 191 1 90 LEU H 1 91 ASP H 3.000 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1 192 1 91 ASP QB 1 92 ARG H 2.500 . 3.700 2.739 2.739 2.739 . 0 0 "[ ]" 1 193 1 91 ASP H 1 92 ARG H 2.500 . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1 194 1 92 ARG QB 1 93 ASN H 2.500 . 3.700 2.726 2.726 2.726 . 0 0 "[ ]" 1 195 1 92 ARG HA 1 93 ASN H 3.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1 196 1 92 ARG H 1 93 ASN H 3.000 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1 197 1 93 ASN QB 1 94 LEU H 4.000 . 6.000 2.478 2.478 2.478 . 0 0 "[ ]" 1 198 1 93 ASN HA 1 94 LEU H 4.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1 199 1 93 ASN H 1 94 LEU H 2.500 . 2.900 2.550 2.550 2.550 . 0 0 "[ ]" 1 200 1 94 LEU HA 1 95 TRP H 4.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1 201 1 94 LEU H 1 95 TRP H 3.000 . 3.500 3.105 3.105 3.105 . 0 0 "[ ]" 1 202 1 95 TRP QB 1 96 GLY H 2.500 . 3.700 3.551 3.551 3.551 . 0 0 "[ ]" 1 203 1 95 TRP HA 1 96 GLY H 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1 204 1 95 TRP H 1 96 GLY H 2.500 . 2.900 2.337 2.337 2.337 . 0 0 "[ ]" 1 205 1 96 GLY QA 1 97 LEU H 3.000 . 4.500 2.797 2.797 2.797 . 0 0 "[ ]" 1 206 1 96 GLY H 1 97 LEU H 2.500 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1 207 1 97 LEU H 1 98 ALA H 2.500 . 2.900 2.424 2.424 2.424 . 0 0 "[ ]" 1 208 1 98 ALA MB 1 99 GLY H 2.500 . 4.200 2.504 2.504 2.504 . 0 0 "[ ]" 1 209 1 98 ALA HA 1 99 GLY H 3.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1 210 1 98 ALA H 1 99 GLY H 2.500 . 2.900 2.837 2.837 2.837 . 0 0 "[ ]" 1 211 1 99 GLY QA 1 100 LEU H 2.500 . 3.700 2.648 2.648 2.648 . 0 0 "[ ]" 1 212 1 99 GLY H 1 100 LEU H 2.500 . 2.900 2.676 2.676 2.676 . 0 0 "[ ]" 1 213 1 101 ASN QB 1 102 SER H 4.000 . 6.000 1.928 1.928 1.928 . 0 0 "[ ]" 1 214 1 102 SER QB 1 103 CYS HA 4.000 . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1 215 1 103 CYS HA 1 104 PRO QD 2.500 . 3.700 1.951 1.951 1.951 . 0 0 "[ ]" 1 216 1 103 CYS HA 1 104 PRO QG 4.000 . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1 217 1 104 PRO QB 1 105 VAL H 3.000 . 4.500 3.867 3.867 3.867 . 0 0 "[ ]" 1 218 1 104 PRO HA 1 105 VAL H 3.000 . 3.500 2.397 2.397 2.397 . 0 0 "[ ]" 1 219 1 105 VAL HA 1 106 LYS H 2.500 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1 220 1 106 LYS QB 1 107 GLU H 3.000 . 4.500 2.828 2.828 2.828 . 0 0 "[ ]" 1 221 1 107 GLU QB 1 108 ALA H 3.000 . 4.500 3.849 3.849 3.849 . 0 0 "[ ]" 1 222 1 108 ALA MB 1 109 ASP H 2.500 . 4.200 2.936 2.936 2.936 . 0 0 "[ ]" 1 223 1 108 ALA HA 1 109 ASP H 2.500 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1 224 1 109 ASP QB 1 110 GLN H 4.000 . 6.000 1.990 1.990 1.990 . 0 0 "[ ]" 1 225 1 109 ASP H 1 110 GLN H 4.000 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1 226 1 110 GLN QB 1 111 SER H 3.000 . 4.500 3.870 3.870 3.870 . 0 0 "[ ]" 1 227 1 110 GLN H 1 111 SER H 4.000 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1 228 1 111 SER HA 1 112 THR H 2.500 . 2.700 2.637 2.637 2.637 . 0 0 "[ ]" 1 229 1 111 SER H 1 112 THR H 4.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1 230 1 111 SER HA 1 112 THR MG 4.000 . 6.500 3.386 3.386 3.386 . 0 0 "[ ]" 1 231 1 112 THR HA 1 113 LEU H 2.500 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1 232 1 113 LEU QB 1 114 GLU H 4.000 . 6.000 3.169 3.169 3.169 . 0 0 "[ ]" 1 233 1 113 LEU H 1 114 GLU H 3.000 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1 234 1 114 GLU QB 1 115 ASN H 3.000 . 4.500 2.484 2.484 2.484 . 0 0 "[ ]" 1 235 1 114 GLU HA 1 115 ASN H 3.000 . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1 236 1 114 GLU H 1 115 ASN H 3.000 . 3.500 2.735 2.735 2.735 . 0 0 "[ ]" 1 237 1 115 ASN QB 1 116 PHE H 3.000 . 4.500 3.053 3.053 3.053 . 0 0 "[ ]" 1 238 1 115 ASN H 1 116 PHE H 2.500 . 2.900 2.542 2.542 2.542 . 0 0 "[ ]" 1 239 1 116 PHE QB 1 117 LEU H 3.000 . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1 240 1 116 PHE HA 1 117 LEU H 4.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1 241 1 116 PHE H 1 117 LEU H 3.000 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1 242 1 117 LEU H 1 118 GLU H 3.000 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1 243 1 118 GLU HA 1 119 ARG H 3.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1 244 1 119 ARG QB 1 120 LEU H 2.500 . 3.700 3.042 3.042 3.042 . 0 0 "[ ]" 1 245 1 119 ARG HA 1 120 LEU H 3.000 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1 246 1 119 ARG H 1 120 LEU H 2.500 . 2.900 2.618 2.618 2.618 . 0 0 "[ ]" 1 247 1 120 LEU QB 1 121 LYS H 3.000 . 4.500 2.731 2.731 2.731 . 0 0 "[ ]" 1 248 1 120 LEU HA 1 121 LYS H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1 249 1 120 LEU H 1 121 LYS H 2.500 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 1 250 1 121 LYS QB 1 122 THR H 2.500 . 3.700 2.530 2.530 2.530 . 0 0 "[ ]" 1 251 1 121 LYS HA 1 122 THR H 3.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1 252 1 121 LYS H 1 122 THR H 2.500 . 2.900 2.488 2.488 2.488 . 0 0 "[ ]" 1 253 1 121 LYS QB 1 122 THR MG 3.000 . 5.800 4.081 4.081 4.081 . 0 0 "[ ]" 1 254 1 121 LYS QE 1 122 THR MG 3.000 . 5.800 3.803 3.803 3.803 . 0 0 "[ ]" 1 255 1 122 THR HB 1 123 ILE H 2.500 . 2.700 2.835 2.835 2.835 0.135 1 0 "[ ]" 1 256 1 122 THR HA 1 123 ILE H 3.000 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1 257 1 122 THR H 1 123 ILE H 2.500 . 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 1 258 1 123 ILE HB 1 124 MET H 2.500 . 2.700 2.582 2.582 2.582 . 0 0 "[ ]" 1 259 1 123 ILE HA 1 124 MET H 3.000 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 1 260 1 123 ILE H 1 124 MET H 2.500 . 2.900 2.725 2.725 2.725 . 0 0 "[ ]" 1 261 1 123 ILE MG 1 124 MET HA 3.000 . 4.800 3.286 3.286 3.286 . 0 0 "[ ]" 1 262 1 123 ILE MG 1 124 MET QG 4.000 . 7.500 3.409 3.409 3.409 . 0 0 "[ ]" 1 263 1 124 MET QB 1 125 ARG H 3.000 . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1 264 1 124 MET HA 1 125 ARG H 3.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1 265 1 124 MET H 1 125 ARG H 3.000 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1 266 1 125 ARG QB 1 126 GLU H 2.500 . 3.700 2.025 2.025 2.025 . 0 0 "[ ]" 1 267 1 125 ARG HA 1 126 GLU H 3.000 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1 268 1 125 ARG H 1 126 GLU H 2.500 . 2.900 2.917 2.917 2.917 0.017 1 0 "[ ]" 1 269 1 126 GLU QB 1 127 LYS H 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1 270 1 126 GLU H 1 127 LYS H 3.000 . 3.500 3.048 3.048 3.048 . 0 0 "[ ]" 1 271 1 127 LYS HA 1 128 TYR H 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1 272 1 127 LYS H 1 128 TYR H 2.500 . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1 273 1 128 TYR QB 1 129 SER H 3.000 . 4.500 3.363 3.363 3.363 . 0 0 "[ ]" 1 274 1 128 TYR HA 1 129 SER H 3.000 . 3.500 3.351 3.351 3.351 . 0 0 "[ ]" 1 275 1 128 TYR H 1 129 SER H 2.500 . 2.900 2.449 2.449 2.449 . 0 0 "[ ]" 1 276 1 129 SER H 1 130 LYS H 3.000 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1 277 1 130 LYS QB 1 131 CYS H 3.000 . 4.500 3.519 3.519 3.519 . 0 0 "[ ]" 1 278 1 130 LYS HA 1 131 CYS H 3.000 . 3.500 3.275 3.275 3.275 . 0 0 "[ ]" 1 279 1 130 LYS H 1 131 CYS H 2.500 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1 280 1 131 CYS H 1 132 SER H 2.500 . 2.900 2.914 2.914 2.914 0.014 1 0 "[ ]" 1 281 1 132 SER QB 1 133 SER H 4.000 . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1 282 1 132 SER HA 1 133 SER H 2.500 . 2.700 2.399 2.399 2.399 . 0 0 "[ ]" 1 283 1 5 HIS H 1 7 CYS H 4.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1 284 1 7 CYS HA 1 10 THR HB 4.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1 285 1 8 ASP HA 1 11 LEU QB 4.000 . 6.000 4.150 4.150 4.150 . 0 0 "[ ]" 1 286 1 9 ILE HA 1 12 GLN QB 4.000 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1 287 1 9 ILE HA 1 12 GLN H 4.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1 288 1 9 ILE H 1 11 LEU H 4.000 . 5.000 3.759 3.759 3.759 . 0 0 "[ ]" 1 289 1 9 ILE HA 1 12 GLN QG 3.000 . 4.300 2.721 2.721 2.721 . 0 0 "[ ]" 1 290 1 10 THR HA 1 13 GLU QB 4.000 . 6.000 3.208 3.208 3.208 . 0 0 "[ ]" 1 291 1 10 THR HA 1 13 GLU H 4.000 . 5.000 4.066 4.066 4.066 . 0 0 "[ ]" 1 292 1 10 THR MG 1 14 ILE HB 3.000 . 4.800 3.791 3.791 3.791 . 0 0 "[ ]" 1 293 1 10 THR MG 1 14 ILE QG 3.000 . 5.800 3.737 3.737 3.737 . 0 0 "[ ]" 1 294 1 10 THR MG 1 14 ILE MD 3.000 . 6.300 2.165 2.165 2.165 . 0 0 "[ ]" 1 295 1 10 THR MG 1 13 GLU QB 4.000 . 7.500 4.207 4.207 4.207 . 0 0 "[ ]" 1 296 1 11 LEU HA 1 14 ILE HB 3.000 . 3.300 1.960 1.960 1.960 . 0 0 "[ ]" 1 297 1 11 LEU HA 1 14 ILE H 4.000 . 5.000 2.987 2.987 2.987 . 0 0 "[ ]" 1 298 1 11 LEU QD 1 15 ILE MD 3.000 . 7.200 3.890 3.890 3.890 . 0 0 "[ ]" 1 299 1 11 LEU HG 1 15 ILE MD 4.000 . 6.500 3.772 3.772 3.772 . 0 0 "[ ]" 1 300 1 11 LEU QB 1 15 ILE MD 4.000 . 7.500 3.004 3.004 3.004 . 0 0 "[ ]" 1 301 1 11 LEU HA 1 14 ILE MD 3.000 . 4.800 2.585 2.585 2.585 . 0 0 "[ ]" 1 302 1 12 GLN HA 1 15 ILE HB 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 1 303 1 12 GLN HA 1 15 ILE H 4.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1 304 1 12 GLN HA 1 14 ILE H 4.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1 305 1 12 GLN H 1 14 ILE H 4.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1 306 1 12 GLN HA 1 15 ILE MG 3.000 . 4.800 3.953 3.953 3.953 . 0 0 "[ ]" 1 307 1 12 GLN HA 1 15 ILE MD 3.000 . 4.800 1.831 1.831 1.831 . 0 0 "[ ]" 1 308 1 13 GLU HA 1 16 LYS QB 3.000 . 4.300 2.940 2.940 2.940 . 0 0 "[ ]" 1 309 1 13 GLU HA 1 15 ILE H 4.000 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1 310 1 13 GLU HA 1 16 LYS QE 3.000 . 4.300 2.675 2.675 2.675 . 0 0 "[ ]" 1 311 1 14 ILE HA 1 17 THR HB 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1 312 1 14 ILE HA 1 17 THR H 4.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1 313 1 14 ILE HA 1 16 LYS H 4.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1 314 1 14 ILE HA 1 17 THR MG 4.000 . 6.500 3.924 3.924 3.924 . 0 0 "[ ]" 1 315 1 15 ILE HA 1 18 LEU QB 3.000 . 4.300 2.609 2.609 2.609 . 0 0 "[ ]" 1 316 1 15 ILE HA 1 18 LEU H 4.000 . 5.000 3.245 3.245 3.245 . 0 0 "[ ]" 1 317 1 15 ILE HA 1 17 THR H 4.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1 318 1 15 ILE H 1 17 THR H 4.000 . 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1 319 1 16 LYS HA 1 19 ASN QB 3.000 . 4.300 2.850 2.850 2.850 . 0 0 "[ ]" 1 320 1 16 LYS HA 1 19 ASN H 4.000 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1 321 1 17 THR HA 1 20 SER QB 3.000 . 4.300 2.295 2.295 2.295 . 0 0 "[ ]" 1 322 1 17 THR HA 1 19 ASN H 4.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1 323 1 17 THR H 1 19 ASN H 4.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1 324 1 18 LEU HA 1 21 LEU QB 3.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1 325 1 18 LEU HA 1 21 LEU H 4.000 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1 326 1 18 LEU H 1 20 SER H 4.000 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1 327 1 19 ASN HA 1 22 THR HB 4.000 . 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1 328 1 19 ASN H 1 21 LEU H 4.000 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1 329 1 19 ASN HA 1 22 THR MG 4.000 . 6.500 3.775 3.775 3.775 . 0 0 "[ ]" 1 330 1 20 SER HA 1 23 GLU QB 3.000 . 4.300 3.550 3.550 3.550 . 0 0 "[ ]" 1 331 1 21 LEU HA 1 24 GLN QB 4.000 . 6.000 5.101 5.101 5.101 . 0 0 "[ ]" 1 332 1 21 LEU HA 1 24 GLN H 4.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1 333 1 21 LEU HA 1 23 GLU H 4.000 . 5.000 3.467 3.467 3.467 . 0 0 "[ ]" 1 334 1 21 LEU H 1 23 GLU H 4.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1 335 1 22 THR HA 1 24 GLN H 4.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1 336 1 23 GLU HA 1 25 LYS H 4.000 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1 337 1 24 GLN HA 1 27 LEU QB 4.000 . 6.000 5.518 5.518 5.518 . 0 0 "[ ]" 1 338 1 25 LYS HA 1 28 CYS QB 4.000 . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1 339 1 26 THR HA 1 29 THR H 4.000 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1 340 1 26 THR HA 1 28 CYS H 4.000 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 1 341 1 27 LEU HA 1 30 GLU QB 3.000 . 4.300 3.978 3.978 3.978 . 0 0 "[ ]" 1 342 1 27 LEU H 1 29 THR H 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1 343 1 28 CYS HA 1 31 LEU MD1 4.000 . 6.500 2.682 2.682 2.682 . 0 0 "[ ]" 1 344 1 28 CYS HA 1 31 LEU MD2 4.000 . 6.500 4.547 4.547 4.547 . 0 0 "[ ]" 1 345 1 28 CYS HA 1 31 LEU HG 4.000 . 5.000 4.156 4.156 4.156 . 0 0 "[ ]" 1 346 1 28 CYS QB 1 31 LEU QD 4.000 . 8.400 3.769 3.769 3.769 . 0 0 "[ ]" 1 347 1 29 THR HA 1 31 LEU H 4.000 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 1 348 1 30 GLU HA 1 32 THR MG 4.000 . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 1 349 1 34 THR HB 1 36 ILE MG 3.000 . 4.800 4.094 4.094 4.094 . 0 0 "[ ]" 1 350 1 34 THR MG 1 36 ILE HB 3.000 . 4.800 4.048 4.048 4.048 . 0 0 "[ ]" 1 351 1 34 THR MG 1 36 ILE MD 3.000 . 6.300 4.031 4.031 4.031 . 0 0 "[ ]" 1 352 1 36 ILE HA 1 38 ALA H 4.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 1 353 1 36 ILE H 1 38 ALA H 4.000 . 5.000 4.787 4.787 4.787 . 0 0 "[ ]" 1 354 1 37 PHE H 1 39 ALA H 4.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1 355 1 43 THR HB 1 47 GLU QB 3.000 . 4.300 3.007 3.007 3.007 . 0 0 "[ ]" 1 356 1 43 THR MG 1 47 GLU QB 3.000 . 5.800 2.616 2.616 2.616 . 0 0 "[ ]" 1 357 1 44 THR HA 1 48 THR H 4.000 . 5.000 5.151 5.151 5.151 0.151 1 0 "[ ]" 1 358 1 44 THR HA 1 47 GLU H 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 1 359 1 45 GLU HA 1 48 THR HB 3.000 . 3.300 2.739 2.739 2.739 . 0 0 "[ ]" 1 360 1 45 GLU QB 1 49 PHE QE 3.000 . 6.300 1.962 1.962 1.962 . 0 0 "[ ]" 1 361 1 45 GLU QB 1 49 PHE HZ 3.000 . 4.300 3.340 3.340 3.340 . 0 0 "[ ]" 1 362 1 46 LYS HA 1 49 PHE QB 4.000 . 6.000 2.779 2.779 2.779 . 0 0 "[ ]" 1 363 1 46 LYS HA 1 49 PHE H 4.000 . 5.000 3.433 3.433 3.433 . 0 0 "[ ]" 1 364 1 46 LYS HA 1 49 PHE QD 3.000 . 5.300 2.179 2.179 2.179 . 0 0 "[ ]" 1 365 1 47 GLU HA 1 50 CYS QB 3.000 . 4.300 3.108 3.108 3.108 . 0 0 "[ ]" 1 366 1 47 GLU HA 1 50 CYS H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1 367 1 47 GLU H 1 49 PHE H 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1 368 1 48 THR HA 1 51 ARG QB 3.000 . 4.300 2.768 2.768 2.768 . 0 0 "[ ]" 1 369 1 48 THR HA 1 52 ALA H 4.000 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1 370 1 48 THR HA 1 51 ARG H 4.000 . 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1 371 1 48 THR H 1 50 CYS H 4.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1 372 1 48 THR MG 1 52 ALA MB 3.000 . 6.300 3.054 3.054 3.054 . 0 0 "[ ]" 1 373 1 48 THR HA 1 51 ARG QD 4.000 . 6.000 3.140 3.140 3.140 . 0 0 "[ ]" 1 374 1 49 PHE HA 1 52 ALA MB 3.000 . 4.800 2.701 2.701 2.701 . 0 0 "[ ]" 1 375 1 49 PHE HA 1 52 ALA H 4.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1 376 1 49 PHE HA 1 51 ARG H 4.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1 377 1 50 CYS HA 1 53 ALA MB 4.000 . 6.500 2.074 2.074 2.074 . 0 0 "[ ]" 1 378 1 50 CYS H 1 52 ALA H 4.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1 379 1 50 CYS HA 1 52 ALA MB 4.000 . 6.500 5.332 5.332 5.332 . 0 0 "[ ]" 1 380 1 51 ARG HA 1 54 THR HB 3.000 . 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 1 381 1 51 ARG HA 1 54 THR H 4.000 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1 382 1 51 ARG HA 1 53 ALA H 4.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1 383 1 51 ARG H 1 53 ALA H 4.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1 384 1 52 ALA HA 1 55 VAL HB 3.000 . 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 1 385 1 52 ALA HA 1 56 LEU H 4.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1 386 1 52 ALA HA 1 55 VAL H 4.000 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 1 387 1 52 ALA H 1 54 THR H 4.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1 388 1 52 ALA HA 1 55 VAL MG2 4.000 . 6.500 3.039 3.039 3.039 . 0 0 "[ ]" 1 389 1 52 ALA HA 1 55 VAL MG1 4.000 . 6.500 4.210 4.210 4.210 . 0 0 "[ ]" 1 390 1 52 ALA MB 1 55 VAL HB 3.000 . 4.800 3.995 3.995 3.995 . 0 0 "[ ]" 1 391 1 52 ALA MB 1 56 LEU QD 3.000 . 7.200 2.708 2.708 2.708 . 0 0 "[ ]" 1 392 1 53 ALA HA 1 56 LEU QB 4.000 . 6.000 2.186 2.186 2.186 . 0 0 "[ ]" 1 393 1 53 ALA HA 1 55 VAL H 4.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1 394 1 53 ALA HA 1 56 LEU MD1 3.000 . 4.800 3.139 3.139 3.139 . 0 0 "[ ]" 1 395 1 53 ALA HA 1 56 LEU MD2 3.000 . 4.800 3.548 3.548 3.548 . 0 0 "[ ]" 1 396 1 54 THR HA 1 57 ARG QB 4.000 . 6.000 2.646 2.646 2.646 . 0 0 "[ ]" 1 397 1 54 THR HA 1 57 ARG QD 4.000 . 6.000 3.473 3.473 3.473 . 0 0 "[ ]" 1 398 1 55 VAL HA 1 58 GLN QB 4.000 . 6.000 2.949 2.949 2.949 . 0 0 "[ ]" 1 399 1 55 VAL HA 1 58 GLN H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1 400 1 55 VAL HA 1 57 ARG H 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1 401 1 56 LEU HA 1 59 PHE QB 4.000 . 6.000 2.520 2.520 2.520 . 0 0 "[ ]" 1 402 1 56 LEU HA 1 59 PHE H 4.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1 403 1 58 GLN HA 1 61 SER QB 4.000 . 6.000 2.709 2.709 2.709 . 0 0 "[ ]" 1 404 1 58 GLN H 1 60 TYR H 4.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1 405 1 59 PHE HA 1 62 HIS QB 4.000 . 6.000 4.306 4.306 4.306 . 0 0 "[ ]" 1 406 1 59 PHE HA 1 62 HIS H 4.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1 407 1 59 PHE H 1 61 SER H 4.000 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1 408 1 59 PHE HA 1 63 HIS HD2 3.000 . 3.300 1.997 1.997 1.997 . 0 0 "[ ]" 1 409 1 59 PHE QB 1 63 HIS HD2 4.000 . 6.000 3.649 3.649 3.649 . 0 0 "[ ]" 1 410 1 59 PHE QD 1 63 HIS QB 4.000 . 8.000 3.474 3.474 3.474 . 0 0 "[ ]" 1 411 1 60 TYR HA 1 63 HIS QB 4.000 . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1 412 1 60 TYR HA 1 64 GLU H 4.000 . 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 1 413 1 60 TYR HA 1 63 HIS H 4.000 . 5.000 4.858 4.858 4.858 . 0 0 "[ ]" 1 414 1 60 TYR HA 1 62 HIS H 4.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1 415 1 60 TYR H 1 62 HIS H 4.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1 416 1 61 SER HA 1 64 GLU QB 4.000 . 6.000 3.261 3.261 3.261 . 0 0 "[ ]" 1 417 1 61 SER H 1 63 HIS H 4.000 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1 418 1 62 HIS H 1 64 GLU H 4.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1 419 1 63 HIS HA 1 66 ASP QB 3.000 . 4.300 1.960 1.960 1.960 . 0 0 "[ ]" 1 420 1 63 HIS HA 1 66 ASP H 4.000 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1 421 1 67 THR HA 1 70 LEU QB 3.000 . 4.300 1.959 1.959 1.959 . 0 0 "[ ]" 1 422 1 67 THR H 1 69 CYS H 4.000 . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1 423 1 67 THR HA 1 70 LEU HG 3.000 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1 424 1 67 THR HA 1 70 LEU QD 3.000 . 5.700 2.212 2.212 2.212 . 0 0 "[ ]" 1 425 1 67 THR HB 1 70 LEU QD 4.000 . 7.400 4.423 4.423 4.423 . 0 0 "[ ]" 1 426 1 67 THR HB 1 70 LEU QB 4.000 . 6.000 4.132 4.132 4.132 . 0 0 "[ ]" 1 427 1 67 THR MG 1 70 LEU QD 4.000 . 8.900 2.415 2.415 2.415 . 0 0 "[ ]" 1 428 1 68 ARG H 1 70 LEU H 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1 429 1 71 GLY QA 1 73 THR H 4.000 . 6.000 3.636 3.636 3.636 . 0 0 "[ ]" 1 430 1 71 GLY QA 1 76 GLN QB 4.000 . 7.000 3.436 3.436 3.436 . 0 0 "[ ]" 1 431 1 73 THR HA 1 75 GLN H 4.000 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1 432 1 73 THR MG 1 76 GLN QB 4.000 . 7.500 4.113 4.113 4.113 . 0 0 "[ ]" 1 433 1 73 THR MG 1 76 GLN QG 4.000 . 7.500 4.924 4.924 4.924 . 0 0 "[ ]" 1 434 1 74 ALA HA 1 77 PHE QB 3.000 . 4.300 2.480 2.480 2.480 . 0 0 "[ ]" 1 435 1 74 ALA MB 1 77 PHE QB 4.000 . 7.500 3.675 3.675 3.675 . 0 0 "[ ]" 1 436 1 75 GLN HA 1 78 HIS QB 4.000 . 6.000 3.394 3.394 3.394 . 0 0 "[ ]" 1 437 1 75 GLN HA 1 77 PHE H 4.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1 438 1 76 GLN HA 1 79 ARG QB 4.000 . 6.000 2.429 2.429 2.429 . 0 0 "[ ]" 1 439 1 76 GLN HA 1 79 ARG H 4.000 . 5.000 3.377 3.377 3.377 . 0 0 "[ ]" 1 440 1 76 GLN H 1 78 HIS H 4.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1 441 1 77 PHE HA 1 80 HIS QB 4.000 . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 1 442 1 77 PHE HA 1 80 HIS H 4.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1 443 1 77 PHE HA 1 80 HIS HD2 4.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1 444 1 78 HIS HA 1 81 LYS QB 4.000 . 6.000 2.909 2.909 2.909 . 0 0 "[ ]" 1 445 1 78 HIS HA 1 82 GLN H 4.000 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1 446 1 78 HIS HE1 1 82 GLN QG 4.000 . 6.000 3.292 3.292 3.292 . 0 0 "[ ]" 1 447 1 79 ARG HA 1 82 GLN QB 4.000 . 6.000 2.865 2.865 2.865 . 0 0 "[ ]" 1 448 1 79 ARG HA 1 83 LEU H 4.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1 449 1 79 ARG HA 1 82 GLN H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1 450 1 80 HIS HA 1 83 LEU QB 4.000 . 6.000 2.797 2.797 2.797 . 0 0 "[ ]" 1 451 1 80 HIS HA 1 84 ILE H 4.000 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 1 452 1 80 HIS H 1 82 GLN H 4.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1 453 1 80 HIS HE1 1 84 ILE MD 4.000 . 6.500 2.110 2.110 2.110 . 0 0 "[ ]" 1 454 1 80 HIS HE1 1 83 LEU QD 3.000 . 5.700 2.596 2.596 2.596 . 0 0 "[ ]" 1 455 1 80 HIS HA 1 83 LEU QD 4.000 . 7.400 3.646 3.646 3.646 . 0 0 "[ ]" 1 456 1 81 LYS HA 1 84 ILE HB 4.000 . 5.000 3.319 3.319 3.319 . 0 0 "[ ]" 1 457 1 81 LYS HA 1 84 ILE H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1 458 1 81 LYS HA 1 83 LEU H 4.000 . 5.000 4.176 4.176 4.176 . 0 0 "[ ]" 1 459 1 81 LYS H 1 83 LEU H 4.000 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1 460 1 81 LYS HA 1 84 ILE MG 4.000 . 6.500 4.580 4.580 4.580 . 0 0 "[ ]" 1 461 1 82 GLN HA 1 85 ARG QB 3.000 . 4.300 2.737 2.737 2.737 . 0 0 "[ ]" 1 462 1 82 GLN HA 1 84 ILE H 4.000 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1 463 1 82 GLN H 1 84 ILE H 4.000 . 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1 464 1 82 GLN HA 1 85 ARG QG 4.000 . 6.000 4.711 4.711 4.711 . 0 0 "[ ]" 1 465 1 82 GLN HA 1 85 ARG QD 3.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 1 466 1 83 LEU HA 1 86 PHE QB 4.000 . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1 467 1 83 LEU HA 1 86 PHE H 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1 468 1 83 LEU HA 1 85 ARG H 4.000 . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 1 469 1 83 LEU H 1 85 ARG H 4.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1 470 1 83 LEU HA 1 86 PHE QE 4.000 . 7.000 6.264 6.264 6.264 . 0 0 "[ ]" 1 471 1 83 LEU HA 1 86 PHE QD 4.000 . 7.000 4.272 4.272 4.272 . 0 0 "[ ]" 1 472 1 84 ILE HA 1 87 LEU QB 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1 473 1 84 ILE HA 1 88 LYS H 4.000 . 5.000 4.332 4.332 4.332 . 0 0 "[ ]" 1 474 1 84 ILE HA 1 87 LEU H 4.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1 475 1 84 ILE H 1 86 PHE H 4.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1 476 1 84 ILE HA 1 87 LEU QD 3.000 . 5.700 2.913 2.913 2.913 . 0 0 "[ ]" 1 477 1 85 ARG HA 1 88 LYS QB 3.000 . 4.300 3.138 3.138 3.138 . 0 0 "[ ]" 1 478 1 85 ARG H 1 87 LEU H 4.000 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1 479 1 86 PHE HA 1 89 ARG QB 3.000 . 4.300 3.063 3.063 3.063 . 0 0 "[ ]" 1 480 1 86 PHE HA 1 90 LEU H 4.000 . 5.000 4.521 4.521 4.521 . 0 0 "[ ]" 1 481 1 86 PHE HA 1 89 ARG H 4.000 . 5.000 3.761 3.761 3.761 . 0 0 "[ ]" 1 482 1 86 PHE HA 1 88 LYS H 4.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1 483 1 87 LEU HA 1 90 LEU QB 4.000 . 6.000 3.027 3.027 3.027 . 0 0 "[ ]" 1 484 1 87 LEU H 1 89 ARG H 4.000 . 5.000 4.117 4.117 4.117 . 0 0 "[ ]" 1 485 1 87 LEU HA 1 90 LEU QD 3.000 . 5.700 3.951 3.951 3.951 . 0 0 "[ ]" 1 486 1 88 LYS HA 1 91 ASP QB 4.000 . 6.000 2.683 2.683 2.683 . 0 0 "[ ]" 1 487 1 88 LYS HA 1 92 ARG H 4.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1 488 1 88 LYS HA 1 91 ASP H 4.000 . 5.000 3.429 3.429 3.429 . 0 0 "[ ]" 1 489 1 88 LYS H 1 90 LEU H 4.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1 490 1 89 ARG HA 1 92 ARG QB 4.000 . 6.000 3.647 3.647 3.647 . 0 0 "[ ]" 1 491 1 89 ARG HA 1 92 ARG H 4.000 . 5.000 3.814 3.814 3.814 . 0 0 "[ ]" 1 492 1 89 ARG H 1 91 ASP H 4.000 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1 493 1 90 LEU HA 1 93 ASN QB 4.000 . 6.000 2.652 2.652 2.652 . 0 0 "[ ]" 1 494 1 90 LEU HA 1 93 ASN H 4.000 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 1 495 1 91 ASP HA 1 94 LEU QB 4.000 . 6.000 3.476 3.476 3.476 . 0 0 "[ ]" 1 496 1 91 ASP HA 1 95 TRP H 4.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1 497 1 91 ASP HA 1 94 LEU H 4.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1 498 1 91 ASP HA 1 94 LEU QD 4.000 . 7.400 4.091 4.091 4.091 . 0 0 "[ ]" 1 499 1 92 ARG HA 1 95 TRP QB 4.000 . 6.000 5.303 5.303 5.303 . 0 0 "[ ]" 1 500 1 92 ARG HA 1 95 TRP H 4.000 . 5.000 4.556 4.556 4.556 . 0 0 "[ ]" 1 501 1 92 ARG HA 1 94 LEU H 4.000 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1 502 1 92 ARG H 1 94 LEU H 4.000 . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1 503 1 92 ARG QD 1 95 TRP HZ2 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1 504 1 93 ASN HA 1 97 LEU H 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1 505 1 93 ASN HA 1 96 GLY H 4.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1 506 1 93 ASN HA 1 95 TRP H 4.000 . 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1 507 1 93 ASN H 1 95 TRP H 4.000 . 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 1 508 1 94 LEU HA 1 97 LEU QB 4.000 . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1 509 1 94 LEU HA 1 97 LEU H 4.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1 510 1 94 LEU HA 1 97 LEU QD 4.000 . 7.400 4.884 4.884 4.884 . 0 0 "[ ]" 1 511 1 95 TRP HA 1 98 ALA MB 4.000 . 6.500 2.143 2.143 2.143 . 0 0 "[ ]" 1 512 1 95 TRP H 1 97 LEU H 4.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1 513 1 95 TRP HH2 1 99 GLY QA 4.000 . 7.000 5.943 5.943 5.943 . 0 0 "[ ]" 1 514 1 95 TRP HE3 1 98 ALA MB 4.000 . 6.500 3.406 3.406 3.406 . 0 0 "[ ]" 1 515 1 95 TRP HD1 1 98 ALA MB 4.000 . 6.500 5.347 5.347 5.347 . 0 0 "[ ]" 1 516 1 98 ALA MB 1 100 LEU QD 2.500 . 6.600 3.084 3.084 3.084 . 0 0 "[ ]" 1 517 1 100 LEU QB 1 103 CYS QB 4.000 . 7.000 4.584 4.584 4.584 . 0 0 "[ ]" 1 518 1 100 LEU QD 1 103 CYS QB 4.000 . 8.400 3.682 3.682 3.682 . 0 0 "[ ]" 1 519 1 103 CYS H 1 105 VAL H 4.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1 520 1 107 GLU HA 1 109 ASP H 4.000 . 6.000 6.064 6.064 6.064 0.064 1 0 "[ ]" 1 521 1 109 ASP H 1 111 SER H 4.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1 522 1 110 GLN QB 1 112 THR MG 4.000 . 7.500 5.105 5.105 5.105 . 0 0 "[ ]" 1 523 1 110 GLN QG 1 112 THR MG 4.000 . 7.500 5.504 5.504 5.504 . 0 0 "[ ]" 1 524 1 112 THR HB 1 114 GLU QB 4.000 . 6.000 2.943 2.943 2.943 . 0 0 "[ ]" 1 525 1 112 THR HB 1 114 GLU QG 4.000 . 6.000 4.651 4.651 4.651 . 0 0 "[ ]" 1 526 1 113 LEU HA 1 116 PHE QB 4.000 . 6.000 1.966 1.966 1.966 . 0 0 "[ ]" 1 527 1 113 LEU HG 1 117 LEU QD 3.000 . 5.700 3.391 3.391 3.391 . 0 0 "[ ]" 1 528 1 113 LEU QD 1 117 LEU HG 3.000 . 5.700 2.695 2.695 2.695 . 0 0 "[ ]" 1 529 1 113 LEU QD 1 116 PHE QB 4.000 . 8.400 2.865 2.865 2.865 . 0 0 "[ ]" 1 530 1 113 LEU HA 1 116 PHE QD 4.000 . 4.700 3.477 3.477 3.477 . 0 0 "[ ]" 1 531 1 113 LEU QD 1 116 PHE QD 3.000 . 7.700 2.472 2.472 2.472 . 0 0 "[ ]" 1 532 1 113 LEU QD 1 116 PHE QE 3.000 . 7.700 3.342 3.342 3.342 . 0 0 "[ ]" 1 533 1 114 GLU HA 1 117 LEU QB 4.000 . 6.000 3.665 3.665 3.665 . 0 0 "[ ]" 1 534 1 115 ASN HA 1 118 GLU QB 4.000 . 6.000 2.182 2.182 2.182 . 0 0 "[ ]" 1 535 1 115 ASN HA 1 117 LEU H 4.000 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 1 536 1 115 ASN H 1 117 LEU H 4.000 . 5.000 4.718 4.718 4.718 . 0 0 "[ ]" 1 537 1 115 ASN HA 1 118 GLU QG 3.000 . 4.300 3.750 3.750 3.750 . 0 0 "[ ]" 1 538 1 116 PHE HA 1 119 ARG QB 4.000 . 6.000 3.205 3.205 3.205 . 0 0 "[ ]" 1 539 1 116 PHE HA 1 120 LEU H 4.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1 540 1 116 PHE HA 1 119 ARG H 4.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1 541 1 116 PHE H 1 118 GLU H 4.000 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1 542 1 116 PHE HA 1 119 ARG QG 3.000 . 4.300 3.680 3.680 3.680 . 0 0 "[ ]" 1 543 1 117 LEU HA 1 120 LEU QB 4.000 . 6.000 2.030 2.030 2.030 . 0 0 "[ ]" 1 544 1 117 LEU HA 1 121 LYS H 4.000 . 5.000 4.289 4.289 4.289 . 0 0 "[ ]" 1 545 1 117 LEU H 1 119 ARG H 4.000 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1 546 1 117 LEU HA 1 120 LEU QD 3.000 . 5.700 2.424 2.424 2.424 . 0 0 "[ ]" 1 547 1 117 LEU QB 1 120 LEU QD 4.000 . 8.400 4.111 4.111 4.111 . 0 0 "[ ]" 1 548 1 118 GLU HA 1 122 THR H 4.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1 549 1 118 GLU HA 1 121 LYS H 4.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1 550 1 118 GLU HA 1 120 LEU H 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1 551 1 118 GLU QG 1 122 THR MG 3.000 . 5.800 3.544 3.544 3.544 . 0 0 "[ ]" 1 552 1 119 ARG HA 1 122 THR HB 3.000 . 3.300 3.494 3.494 3.494 0.194 1 0 "[ ]" 1 553 1 119 ARG H 1 121 LYS H 4.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1 554 1 120 LEU HA 1 123 ILE HB 3.000 . 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 1 555 1 120 LEU HA 1 122 THR H 4.400 . 5.400 4.525 4.525 4.525 . 0 0 "[ ]" 1 556 1 120 LEU H 1 122 THR H 4.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1 557 1 121 LYS HA 1 124 MET QB 4.000 . 6.000 2.904 2.904 2.904 . 0 0 "[ ]" 1 558 1 121 LYS HA 1 125 ARG H 4.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1 559 1 121 LYS HA 1 124 MET H 4.000 . 5.000 3.644 3.644 3.644 . 0 0 "[ ]" 1 560 1 121 LYS H 1 123 ILE H 4.000 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 1 561 1 122 THR HA 1 125 ARG QB 3.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 1 562 1 122 THR HA 1 126 GLU H 4.000 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1 563 1 122 THR HA 1 125 ARG H 4.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1 564 1 122 THR HA 1 124 MET H 4.000 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1 565 1 122 THR H 1 124 MET H 4.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1 566 1 123 ILE HA 1 126 GLU QB 3.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1 567 1 123 ILE HA 1 126 GLU H 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1 568 1 123 ILE H 1 125 ARG H 4.000 . 5.000 4.508 4.508 4.508 . 0 0 "[ ]" 1 569 1 124 MET HA 1 127 LYS QB 4.000 . 6.000 3.872 3.872 3.872 . 0 0 "[ ]" 1 570 1 124 MET HA 1 128 TYR H 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1 571 1 124 MET HA 1 127 LYS H 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1 572 1 124 MET H 1 126 GLU H 4.000 . 5.000 4.665 4.665 4.665 . 0 0 "[ ]" 1 573 1 124 MET HA 1 128 TYR QD 3.000 . 5.300 3.084 3.084 3.084 . 0 0 "[ ]" 1 574 1 124 MET ME 1 128 TYR QD 3.000 . 6.800 3.842 3.842 3.842 . 0 0 "[ ]" 1 575 1 124 MET QB 1 128 TYR QD 3.000 . 6.300 2.635 2.635 2.635 . 0 0 "[ ]" 1 576 1 124 MET HA 1 128 TYR QE 4.000 . 7.000 2.887 2.887 2.887 . 0 0 "[ ]" 1 577 1 124 MET ME 1 128 TYR QE 4.000 . 8.500 2.942 2.942 2.942 . 0 0 "[ ]" 1 578 1 124 MET QB 1 128 TYR QE 4.000 . 8.000 2.849 2.849 2.849 . 0 0 "[ ]" 1 579 1 125 ARG HA 1 128 TYR QB 4.000 . 6.000 3.073 3.073 3.073 . 0 0 "[ ]" 1 580 1 125 ARG HA 1 128 TYR H 4.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1 581 1 125 ARG HA 1 127 LYS H 4.000 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1 582 1 127 LYS HA 1 130 LYS QB 4.000 . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 1 583 1 129 SER H 1 131 CYS H 4.000 . 5.000 3.995 3.995 3.995 . 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 228 _Distance_constraint_stats_list.Viol_count 4 _Distance_constraint_stats_list.Viol_total 0.728 _Distance_constraint_stats_list.Viol_max 0.364 _Distance_constraint_stats_list.Viol_rms 0.0278 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0032 _Distance_constraint_stats_list.Viol_average_violations_only 0.1821 _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 10 THR 0.000 0.000 . 0 "[ ]" 1 11 LEU 0.000 0.000 . 0 "[ ]" 1 14 ILE 0.000 0.000 . 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 17 THR 0.000 0.000 . 0 "[ ]" 1 18 LEU 0.000 0.000 . 0 "[ ]" 1 21 LEU 0.000 0.000 . 0 "[ ]" 1 27 LEU 0.000 0.000 . 0 "[ ]" 1 28 CYS 0.000 0.000 . 0 "[ ]" 1 29 THR 0.000 0.000 . 0 "[ ]" 1 31 LEU 0.000 0.000 . 0 "[ ]" 1 32 THR 0.000 0.000 . 0 "[ ]" 1 33 VAL 0.114 0.114 1 0 "[ ]" 1 34 THR 0.120 0.120 1 0 "[ ]" 1 35 ASP 0.000 0.000 . 0 "[ ]" 1 36 ILE 0.000 0.000 . 0 "[ ]" 1 37 PHE 0.000 0.000 . 0 "[ ]" 1 43 THR 0.000 0.000 . 0 "[ ]" 1 45 GLU 0.000 0.000 . 0 "[ ]" 1 46 LYS 0.000 0.000 . 0 "[ ]" 1 48 THR 0.000 0.000 . 0 "[ ]" 1 49 PHE 0.000 0.000 . 0 "[ ]" 1 50 CYS 0.364 0.364 1 0 "[ ]" 1 51 ARG 0.000 0.000 . 0 "[ ]" 1 52 ALA 0.000 0.000 . 0 "[ ]" 1 53 ALA 0.000 0.000 . 0 "[ ]" 1 54 THR 0.000 0.000 . 0 "[ ]" 1 55 VAL 0.000 0.000 . 0 "[ ]" 1 56 LEU 0.000 0.000 . 0 "[ ]" 1 59 PHE 0.000 0.000 . 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 63 HIS 0.000 0.000 . 0 "[ ]" 1 64 GLU 0.000 0.000 . 0 "[ ]" 1 69 CYS 0.000 0.000 . 0 "[ ]" 1 70 LEU 0.000 0.000 . 0 "[ ]" 1 71 GLY 0.000 0.000 . 0 "[ ]" 1 77 PHE 0.000 0.000 . 0 "[ ]" 1 80 HIS 0.000 0.000 . 0 "[ ]" 1 83 LEU 0.000 0.000 . 0 "[ ]" 1 84 ILE 0.000 0.000 . 0 "[ ]" 1 86 PHE 0.000 0.000 . 0 "[ ]" 1 87 LEU 0.000 0.000 . 0 "[ ]" 1 88 LYS 0.000 0.000 . 0 "[ ]" 1 89 ARG 0.000 0.000 . 0 "[ ]" 1 90 LEU 0.000 0.000 . 0 "[ ]" 1 91 ASP 0.000 0.000 . 0 "[ ]" 1 93 ASN 0.000 0.000 . 0 "[ ]" 1 94 LEU 0.000 0.000 . 0 "[ ]" 1 95 TRP 0.494 0.364 1 0 "[ ]" 1 97 LEU 0.000 0.000 . 0 "[ ]" 1 98 ALA 0.000 0.000 . 0 "[ ]" 1 101 ASN 0.130 0.130 1 0 "[ ]" 1 105 VAL 0.000 0.000 . 0 "[ ]" 1 107 GLU 0.000 0.000 . 0 "[ ]" 1 108 ALA 0.000 0.000 . 0 "[ ]" 1 110 GLN 0.120 0.120 1 0 "[ ]" 1 111 SER 0.114 0.114 1 0 "[ ]" 1 112 THR 0.000 0.000 . 0 "[ ]" 1 113 LEU 0.000 0.000 . 0 "[ ]" 1 114 GLU 0.000 0.000 . 0 "[ ]" 1 116 PHE 0.000 0.000 . 0 "[ ]" 1 120 LEU 0.000 0.000 . 0 "[ ]" 1 121 LYS 0.000 0.000 . 0 "[ ]" 1 123 ILE 0.000 0.000 . 0 "[ ]" 1 124 MET 0.000 0.000 . 0 "[ ]" 1 128 TYR 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 10 THR MG 1 97 LEU QD 3.000 . 7.200 1.823 1.823 1.823 . 0 0 "[ ]" 2 2 1 10 THR HB 1 97 LEU QD 3.000 . 5.700 2.307 2.307 2.307 . 0 0 "[ ]" 2 3 1 10 THR HA 1 97 LEU QD 4.000 . 6.700 4.379 4.379 4.379 . 0 0 "[ ]" 2 4 1 10 THR MG 1 93 ASN HA 3.000 . 4.800 3.938 3.938 3.938 . 0 0 "[ ]" 2 5 1 10 THR MG 1 93 ASN QB 3.000 . 5.800 3.112 3.112 3.112 . 0 0 "[ ]" 2 6 1 11 LEU QD 1 46 LYS QB 4.000 . 8.400 5.144 5.144 5.144 . 0 0 "[ ]" 2 7 1 11 LEU QD 1 124 MET ME 3.000 . 7.200 4.300 4.300 4.300 . 0 0 "[ ]" 2 8 1 11 LEU HG 1 128 TYR QD 3.000 . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 2 9 1 11 LEU QB 1 128 TYR QD 3.000 . 6.300 3.990 3.990 3.990 . 0 0 "[ ]" 2 10 1 11 LEU QD 1 128 TYR QD 3.000 . 7.700 3.074 3.074 3.074 . 0 0 "[ ]" 2 11 1 11 LEU QD 1 128 TYR HA 4.000 . 7.400 4.600 4.600 4.600 . 0 0 "[ ]" 2 12 1 11 LEU QD 1 128 TYR QB 3.000 . 6.700 4.207 4.207 4.207 . 0 0 "[ ]" 2 13 1 11 LEU QD 1 128 TYR QE 4.000 . 9.400 2.038 2.038 2.038 . 0 0 "[ ]" 2 14 1 14 ILE HA 1 90 LEU QD 3.000 . 5.700 2.809 2.809 2.809 . 0 0 "[ ]" 2 15 1 14 ILE HG13 1 90 LEU HA 4.000 . 6.000 4.226 4.226 4.226 . 0 0 "[ ]" 2 16 1 14 ILE HG13 1 93 ASN QB 4.000 . 7.000 2.512 2.512 2.512 . 0 0 "[ ]" 2 17 1 14 ILE HG12 1 93 ASN QB 4.000 . 7.000 3.040 3.040 3.040 . 0 0 "[ ]" 2 18 1 14 ILE MD 1 93 ASN QB 3.000 . 5.800 1.967 1.967 1.967 . 0 0 "[ ]" 2 19 1 14 ILE MD 1 97 LEU QB 3.000 . 5.800 3.289 3.289 3.289 . 0 0 "[ ]" 2 20 1 14 ILE MG 1 124 MET ME 3.000 . 6.300 1.698 1.698 1.698 . 0 0 "[ ]" 2 21 1 14 ILE MG 1 124 MET QB 3.000 . 5.800 3.946 3.946 3.946 . 0 0 "[ ]" 2 22 1 14 ILE MG 1 124 MET QG 3.000 . 5.800 4.277 4.277 4.277 . 0 0 "[ ]" 2 23 1 15 ILE QG 1 124 MET HA 3.000 . 4.300 3.915 3.915 3.915 . 0 0 "[ ]" 2 24 1 15 ILE MD 1 124 MET QB 4.000 . 7.500 3.527 3.527 3.527 . 0 0 "[ ]" 2 25 1 15 ILE MG 1 124 MET QB 4.000 . 7.500 3.345 3.345 3.345 . 0 0 "[ ]" 2 26 1 15 ILE QG 1 124 MET QG 3.000 . 5.300 3.993 3.993 3.993 . 0 0 "[ ]" 2 27 1 15 ILE QG 1 124 MET ME 3.000 . 5.800 2.253 2.253 2.253 . 0 0 "[ ]" 2 28 1 15 ILE MD 1 124 MET ME 3.000 . 6.300 3.779 3.779 3.779 . 0 0 "[ ]" 2 29 1 15 ILE MD 1 128 TYR QB 3.000 . 5.800 2.034 2.034 2.034 . 0 0 "[ ]" 2 30 1 15 ILE MD 1 128 TYR QD 3.000 . 6.800 1.916 1.916 1.916 . 0 0 "[ ]" 2 31 1 15 ILE QG 1 128 TYR QD 4.000 . 8.000 2.150 2.150 2.150 . 0 0 "[ ]" 2 32 1 15 ILE MG 1 128 TYR QD 3.000 . 6.800 3.965 3.965 3.965 . 0 0 "[ ]" 2 33 1 15 ILE QG 1 128 TYR QE 4.000 . 8.000 2.900 2.900 2.900 . 0 0 "[ ]" 2 34 1 15 ILE MG 1 128 TYR QE 4.000 . 8.500 5.229 5.229 5.229 . 0 0 "[ ]" 2 35 1 17 THR HA 1 86 PHE QD 3.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 2 36 1 17 THR HA 1 86 PHE QE 3.000 . 5.300 1.985 1.985 1.985 . 0 0 "[ ]" 2 37 1 17 THR MG 1 89 ARG HE 3.000 . 5.800 3.062 3.062 3.062 . 0 0 "[ ]" 2 38 1 17 THR MG 1 89 ARG QB 3.000 . 5.800 3.011 3.011 3.011 . 0 0 "[ ]" 2 39 1 17 THR MG 1 89 ARG HG3 3.000 . 5.800 4.747 4.747 4.747 . 0 0 "[ ]" 2 40 1 17 THR MG 1 86 PHE HA 3.000 . 4.800 3.631 3.631 3.631 . 0 0 "[ ]" 2 41 1 17 THR MG 1 86 PHE QB 3.000 . 5.800 3.471 3.471 3.471 . 0 0 "[ ]" 2 42 1 17 THR MG 1 90 LEU HA 4.000 . 6.500 3.524 3.524 3.524 . 0 0 "[ ]" 2 43 1 17 THR HB 1 90 LEU QD 2.500 . 5.100 2.097 2.097 2.097 . 0 0 "[ ]" 2 44 1 18 LEU HA 1 86 PHE QE 4.000 . 8.000 6.300 6.300 6.300 . 0 0 "[ ]" 2 45 1 18 LEU QD 1 120 LEU HA 3.000 . 5.700 3.874 3.874 3.874 . 0 0 "[ ]" 2 46 1 18 LEU QD 1 120 LEU HG 3.000 . 5.700 3.853 3.853 3.853 . 0 0 "[ ]" 2 47 1 18 LEU QD 1 120 LEU QD 3.000 . 8.100 1.774 1.774 1.774 . 0 0 "[ ]" 2 48 1 18 LEU QD 1 124 MET HA 4.000 . 7.400 5.613 5.613 5.613 . 0 0 "[ ]" 2 49 1 18 LEU QD 1 124 MET QB 4.000 . 8.400 3.653 3.653 3.653 . 0 0 "[ ]" 2 50 1 18 LEU QD 1 124 MET QG 3.000 . 6.700 2.857 2.857 2.857 . 0 0 "[ ]" 2 51 1 18 LEU HG 1 124 MET QG 3.000 . 4.300 1.953 1.953 1.953 . 0 0 "[ ]" 2 52 1 18 LEU HA 1 124 MET ME 3.000 . 4.800 3.964 3.964 3.964 . 0 0 "[ ]" 2 53 1 18 LEU QD 1 124 MET ME 3.000 . 7.200 2.767 2.767 2.767 . 0 0 "[ ]" 2 54 1 18 LEU QD 1 121 LYS HA 3.000 . 5.700 2.192 2.192 2.192 . 0 0 "[ ]" 2 55 1 21 LEU QB 1 59 PHE QD 4.000 . 8.000 6.491 6.491 6.491 . 0 0 "[ ]" 2 56 1 21 LEU HA 1 83 LEU QD 4.000 . 7.400 3.197 3.197 3.197 . 0 0 "[ ]" 2 57 1 21 LEU QD 1 86 PHE QD 4.000 . 9.400 3.064 3.064 3.064 . 0 0 "[ ]" 2 58 1 21 LEU QD 1 86 PHE HA 4.000 . 7.400 4.357 4.357 4.357 . 0 0 "[ ]" 2 59 1 21 LEU MD1 1 86 PHE QB 4.000 . 7.500 3.155 3.155 3.155 . 0 0 "[ ]" 2 60 1 21 LEU MD2 1 86 PHE QB 4.000 . 7.500 2.582 2.582 2.582 . 0 0 "[ ]" 2 61 1 27 LEU QD 1 71 GLY QA 4.000 . 9.400 3.374 3.374 3.374 . 0 0 "[ ]" 2 62 1 28 CYS QB 1 80 HIS HE1 4.000 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 2 63 1 28 CYS QB 1 83 LEU QD 3.000 . 6.700 2.981 2.981 2.981 . 0 0 "[ ]" 2 64 1 29 THR HA 1 113 LEU QB 3.000 . 4.300 2.056 2.056 2.056 . 0 0 "[ ]" 2 65 1 29 THR HA 1 113 LEU QD 3.000 . 5.700 1.926 1.926 1.926 . 0 0 "[ ]" 2 66 1 29 THR HB 1 114 GLU HA 3.000 . 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 2 67 1 29 THR HB 1 114 GLU QB 3.000 . 4.300 3.537 3.537 3.537 . 0 0 "[ ]" 2 68 1 29 THR HB 1 114 GLU QG 3.000 . 4.300 2.420 2.420 2.420 . 0 0 "[ ]" 2 69 1 29 THR HB 1 113 LEU QB 4.000 . 6.000 2.559 2.559 2.559 . 0 0 "[ ]" 2 70 1 29 THR HB 1 113 LEU QD 3.000 . 5.700 3.240 3.240 3.240 . 0 0 "[ ]" 2 71 1 29 THR MG 1 113 LEU QD 3.000 . 7.200 1.729 1.729 1.729 . 0 0 "[ ]" 2 72 1 29 THR MG 1 83 LEU MD1 4.000 . 8.000 4.807 4.807 4.807 . 0 0 "[ ]" 2 73 1 29 THR MG 1 83 LEU MD2 4.000 . 8.000 5.318 5.318 5.318 . 0 0 "[ ]" 2 74 1 31 LEU QD 1 63 HIS HD2 4.000 . 7.400 3.373 3.373 3.373 . 0 0 "[ ]" 2 75 1 31 LEU MD1 1 63 HIS HE1 4.000 . 6.500 2.894 2.894 2.894 . 0 0 "[ ]" 2 76 1 31 LEU MD2 1 63 HIS HE1 4.000 . 6.500 2.254 2.254 2.254 . 0 0 "[ ]" 2 77 1 32 THR HA 1 112 THR HB 4.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 2 78 1 32 THR HA 1 112 THR HA 2.500 . 2.700 2.082 2.082 2.082 . 0 0 "[ ]" 2 79 1 32 THR HA 1 112 THR MG 3.000 . 4.800 3.676 3.676 3.676 . 0 0 "[ ]" 2 80 1 32 THR HA 1 110 GLN QG 4.000 . 6.000 4.281 4.281 4.281 . 0 0 "[ ]" 2 81 1 32 THR HB 1 110 GLN QB 3.000 . 4.300 2.947 2.947 2.947 . 0 0 "[ ]" 2 82 1 32 THR HB 1 110 GLN QG 3.000 . 4.300 2.093 2.093 2.093 . 0 0 "[ ]" 2 83 1 32 THR MG 1 112 THR HB 3.000 . 4.800 3.751 3.751 3.751 . 0 0 "[ ]" 2 84 1 32 THR MG 1 112 THR HA 3.000 . 4.800 2.267 2.267 2.267 . 0 0 "[ ]" 2 85 1 32 THR MG 1 110 GLN QG 3.000 . 5.800 3.045 3.045 3.045 . 0 0 "[ ]" 2 86 1 32 THR MG 1 110 GLN QB 3.000 . 5.800 2.862 2.862 2.862 . 0 0 "[ ]" 2 87 1 33 VAL H 1 112 THR HA 3.300 2.500 3.500 3.267 3.267 3.267 . 0 0 "[ ]" 2 88 1 33 VAL H 1 111 SER H 3.300 2.500 3.500 3.614 3.614 3.614 0.114 1 0 "[ ]" 2 89 1 33 VAL MG1 1 113 LEU HA 3.000 . 4.800 3.466 3.466 3.466 . 0 0 "[ ]" 2 90 1 33 VAL MG2 1 113 LEU HA 3.000 . 4.800 2.282 2.282 2.282 . 0 0 "[ ]" 2 91 1 33 VAL QG 1 111 SER QB 4.000 . 8.400 3.641 3.641 3.641 . 0 0 "[ ]" 2 92 1 33 VAL QG 1 116 PHE QB 3.000 . 6.700 2.579 2.579 2.579 . 0 0 "[ ]" 2 93 1 33 VAL HA 1 55 VAL QG 3.000 . 5.700 4.001 4.001 4.001 . 0 0 "[ ]" 2 94 1 33 VAL HB 1 55 VAL QG 2.500 . 5.100 2.319 2.319 2.319 . 0 0 "[ ]" 2 95 1 33 VAL QG 1 55 VAL MG1 3.000 . 7.200 2.616 2.616 2.616 . 0 0 "[ ]" 2 96 1 33 VAL QG 1 55 VAL MG2 3.000 . 7.200 4.109 4.109 4.109 . 0 0 "[ ]" 2 97 1 33 VAL QG 1 59 PHE QB 4.000 . 8.400 3.779 3.779 3.779 . 0 0 "[ ]" 2 98 1 33 VAL QG 1 116 PHE QD 3.000 . 7.700 3.253 3.253 3.253 . 0 0 "[ ]" 2 99 1 34 THR HA 1 111 SER H 3.300 2.500 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 2 100 1 34 THR HA 1 110 GLN HA 3.000 . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 2 101 1 34 THR HA 1 110 GLN QG 4.000 . 6.000 4.573 4.573 4.573 . 0 0 "[ ]" 2 102 1 34 THR HA 1 110 GLN QB 4.000 . 6.000 5.508 5.508 5.508 . 0 0 "[ ]" 2 103 1 35 ASP HA 1 116 PHE QD 3.000 . 5.300 3.465 3.465 3.465 . 0 0 "[ ]" 2 104 1 35 ASP HA 1 111 SER QB 4.000 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 2 105 1 35 ASP HB3 1 111 SER QB 3.000 . 4.300 3.394 3.394 3.394 . 0 0 "[ ]" 2 106 1 35 ASP HB2 1 111 SER QB 3.000 . 4.300 1.868 1.868 1.868 . 0 0 "[ ]" 2 107 1 36 ILE HA 1 107 GLU QG 4.000 . 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 2 108 1 36 ILE HA 1 108 ALA MB 3.000 . 4.800 3.203 3.203 3.203 . 0 0 "[ ]" 2 109 1 36 ILE MD 1 48 THR HA 3.000 . 4.800 3.428 3.428 3.428 . 0 0 "[ ]" 2 110 1 36 ILE QG 1 48 THR MG 3.000 . 5.800 2.969 2.969 2.969 . 0 0 "[ ]" 2 111 1 36 ILE MD 1 48 THR MG 3.000 . 6.300 2.046 2.046 2.046 . 0 0 "[ ]" 2 112 1 36 ILE MG 1 51 ARG QB 4.000 . 7.500 2.912 2.912 2.912 . 0 0 "[ ]" 2 113 1 36 ILE MG 1 52 ALA HA 4.000 . 6.500 3.331 3.331 3.331 . 0 0 "[ ]" 2 114 1 36 ILE MG 1 52 ALA MB 3.000 . 6.300 3.676 3.676 3.676 . 0 0 "[ ]" 2 115 1 36 ILE QG 1 52 ALA HA 4.000 . 6.000 4.783 4.783 4.783 . 0 0 "[ ]" 2 116 1 36 ILE MD 1 52 ALA HA 3.000 . 4.800 2.735 2.735 2.735 . 0 0 "[ ]" 2 117 1 36 ILE MD 1 52 ALA MB 3.000 . 6.300 1.959 1.959 1.959 . 0 0 "[ ]" 2 118 1 36 ILE QG 1 52 ALA MB 3.000 . 5.800 3.734 3.734 3.734 . 0 0 "[ ]" 2 119 1 37 PHE HZ 1 123 ILE MD 4.000 . 6.500 5.080 5.080 5.080 . 0 0 "[ ]" 2 120 1 37 PHE HZ 1 123 ILE QG 3.000 . 4.300 3.622 3.622 3.622 . 0 0 "[ ]" 2 121 1 37 PHE HZ 1 123 ILE MG 4.000 . 6.500 4.440 4.440 4.440 . 0 0 "[ ]" 2 122 1 37 PHE HZ 1 48 THR MG 4.000 . 6.500 3.262 3.262 3.262 . 0 0 "[ ]" 2 123 1 37 PHE HZ 1 120 LEU HA 4.000 . 5.000 3.197 3.197 3.197 . 0 0 "[ ]" 2 124 1 37 PHE HZ 1 120 LEU HG 4.000 . 5.000 2.700 2.700 2.700 . 0 0 "[ ]" 2 125 1 37 PHE HZ 1 120 LEU QB 4.000 . 6.000 4.454 4.454 4.454 . 0 0 "[ ]" 2 126 1 37 PHE HZ 1 120 LEU QD 4.000 . 7.400 3.402 3.402 3.402 . 0 0 "[ ]" 2 127 1 37 PHE QE 1 123 ILE MD 4.000 . 8.500 3.568 3.568 3.568 . 0 0 "[ ]" 2 128 1 37 PHE QE 1 116 PHE HA 3.000 . 5.300 3.308 3.308 3.308 . 0 0 "[ ]" 2 129 1 37 PHE QE 1 120 LEU HA 3.000 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 2 130 1 37 PHE QE 1 123 ILE QG 4.000 . 8.000 2.626 2.626 2.626 . 0 0 "[ ]" 2 131 1 37 PHE QE 1 123 ILE MG 4.000 . 8.500 3.226 3.226 3.226 . 0 0 "[ ]" 2 132 1 37 PHE QE 1 48 THR HB 4.000 . 7.000 4.819 4.819 4.819 . 0 0 "[ ]" 2 133 1 37 PHE QE 1 48 THR MG 3.000 . 6.800 2.261 2.261 2.261 . 0 0 "[ ]" 2 134 1 37 PHE QE 1 120 LEU QB 4.000 . 8.000 4.305 4.305 4.305 . 0 0 "[ ]" 2 135 1 37 PHE QD 1 116 PHE HA 4.000 . 7.000 3.422 3.422 3.422 . 0 0 "[ ]" 2 136 1 37 PHE QD 1 123 ILE QG 3.000 . 6.300 3.590 3.590 3.590 . 0 0 "[ ]" 2 137 1 37 PHE QD 1 48 THR MG 4.000 . 8.500 3.750 3.750 3.750 . 0 0 "[ ]" 2 138 1 37 PHE QD 1 120 LEU QB 4.000 . 8.000 6.104 6.104 6.104 . 0 0 "[ ]" 2 139 1 37 PHE QD 1 120 LEU HG 4.000 . 7.000 5.658 5.658 5.658 . 0 0 "[ ]" 2 140 1 37 PHE QD 1 120 LEU QD 4.000 . 9.400 5.389 5.389 5.389 . 0 0 "[ ]" 2 141 1 43 THR MG 1 51 ARG QD 3.000 . 5.800 3.193 3.193 3.193 . 0 0 "[ ]" 2 142 1 45 GLU QG 1 98 ALA HA 4.000 . 6.000 5.230 5.230 5.230 . 0 0 "[ ]" 2 143 1 46 LYS HA 1 98 ALA HA 4.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 2 144 1 46 LYS QG 1 98 ALA HA 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 2 145 1 49 PHE QD 1 95 TRP HA 3.000 . 5.300 4.651 4.651 4.651 . 0 0 "[ ]" 2 146 1 49 PHE QD 1 94 LEU QD 4.000 . 9.400 1.889 1.889 1.889 . 0 0 "[ ]" 2 147 1 49 PHE QD 1 124 MET ME 3.000 . 6.800 4.799 4.799 4.799 . 0 0 "[ ]" 2 148 1 49 PHE QD 1 97 LEU QD 3.000 . 7.700 4.099 4.099 4.099 . 0 0 "[ ]" 2 149 1 49 PHE HA 1 94 LEU QD 3.000 . 5.700 1.958 1.958 1.958 . 0 0 "[ ]" 2 150 1 49 PHE QD 1 94 LEU HG 3.000 . 5.300 2.340 2.340 2.340 . 0 0 "[ ]" 2 151 1 49 PHE QB 1 98 ALA MB 3.000 . 5.800 2.805 2.805 2.805 . 0 0 "[ ]" 2 152 1 49 PHE QB 1 94 LEU QD 4.000 . 8.400 2.565 2.565 2.565 . 0 0 "[ ]" 2 153 1 49 PHE HZ 1 124 MET ME 4.000 . 6.500 4.245 4.245 4.245 . 0 0 "[ ]" 2 154 1 49 PHE QE 1 124 MET ME 3.000 . 6.800 3.587 3.587 3.587 . 0 0 "[ ]" 2 155 1 50 CYS HA 1 95 TRP HE3 4.000 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 2 156 1 50 CYS HA 1 95 TRP HD1 4.000 . 5.000 5.364 5.364 5.364 0.364 1 0 "[ ]" 2 157 1 50 CYS QB 1 98 ALA MB 3.000 . 5.800 2.463 2.463 2.463 . 0 0 "[ ]" 2 158 1 51 ARG HA 1 105 VAL QG 3.000 . 5.700 3.180 3.180 3.180 . 0 0 "[ ]" 2 159 1 51 ARG QB 1 105 VAL QG 4.000 . 8.400 2.467 2.467 2.467 . 0 0 "[ ]" 2 160 1 51 ARG QG 1 105 VAL QG 4.000 . 8.400 2.613 2.613 2.613 . 0 0 "[ ]" 2 161 1 52 ALA HA 1 116 PHE QD 4.000 . 7.000 5.807 5.807 5.807 . 0 0 "[ ]" 2 162 1 52 ALA MB 1 116 PHE QD 3.000 . 6.800 4.851 4.851 4.851 . 0 0 "[ ]" 2 163 1 52 ALA HA 1 116 PHE HZ 4.000 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 2 164 1 52 ALA MB 1 116 PHE HZ 3.000 . 4.800 2.035 2.035 2.035 . 0 0 "[ ]" 2 165 1 53 ALA HA 1 91 ASP HA 4.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 2 166 1 53 ALA MB 1 91 ASP HA 4.000 . 6.500 3.524 3.524 3.524 . 0 0 "[ ]" 2 167 1 53 ALA MB 1 95 TRP QB 4.000 . 7.500 1.877 1.877 1.877 . 0 0 "[ ]" 2 168 1 53 ALA MB 1 95 TRP HE3 4.000 . 6.500 4.181 4.181 4.181 . 0 0 "[ ]" 2 169 1 54 THR HB 1 105 VAL MG1 4.000 . 6.500 3.620 3.620 3.620 . 0 0 "[ ]" 2 170 1 54 THR HB 1 105 VAL MG2 4.000 . 6.500 3.830 3.830 3.830 . 0 0 "[ ]" 2 171 1 54 THR HB 1 105 VAL HB 4.000 . 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 2 172 1 54 THR MG 1 105 VAL MG1 3.000 . 6.300 2.465 2.465 2.465 . 0 0 "[ ]" 2 173 1 54 THR MG 1 105 VAL MG2 3.000 . 6.300 3.805 3.805 3.805 . 0 0 "[ ]" 2 174 1 54 THR MG 1 105 VAL HB 3.000 . 4.800 3.058 3.058 3.058 . 0 0 "[ ]" 2 175 1 55 VAL HB 1 116 PHE QD 4.000 . 7.000 5.608 5.608 5.608 . 0 0 "[ ]" 2 176 1 55 VAL QG 1 116 PHE QD 3.000 . 7.700 4.111 4.111 4.111 . 0 0 "[ ]" 2 177 1 55 VAL HA 1 105 VAL QG 4.000 . 7.400 3.916 3.916 3.916 . 0 0 "[ ]" 2 178 1 55 VAL QG 1 105 VAL HB 3.000 . 5.700 3.475 3.475 3.475 . 0 0 "[ ]" 2 179 1 56 LEU QD 1 116 PHE HZ 2.500 . 5.100 2.736 2.736 2.736 . 0 0 "[ ]" 2 180 1 56 LEU QD 1 116 PHE QD 4.000 . 9.400 4.250 4.250 4.250 . 0 0 "[ ]" 2 181 1 56 LEU QD 1 113 LEU MD1 4.000 . 8.900 4.206 4.206 4.206 . 0 0 "[ ]" 2 182 1 56 LEU QD 1 113 LEU MD2 4.000 . 8.900 4.875 4.875 4.875 . 0 0 "[ ]" 2 183 1 56 LEU QD 1 91 ASP HA 4.000 . 7.400 3.509 3.509 3.509 . 0 0 "[ ]" 2 184 1 56 LEU QD 1 90 LEU HG 3.000 . 5.700 3.501 3.501 3.501 . 0 0 "[ ]" 2 185 1 56 LEU QD 1 90 LEU QB 3.000 . 6.700 2.516 2.516 2.516 . 0 0 "[ ]" 2 186 1 59 PHE QD 1 87 LEU QD 3.000 . 7.700 1.860 1.860 1.860 . 0 0 "[ ]" 2 187 1 59 PHE QD 1 113 LEU MD1 3.000 . 6.800 2.301 2.301 2.301 . 0 0 "[ ]" 2 188 1 59 PHE QD 1 113 LEU MD2 3.000 . 6.700 2.862 2.862 2.862 . 0 0 "[ ]" 2 189 1 59 PHE QD 1 87 LEU QB 4.000 . 8.000 4.365 4.365 4.365 . 0 0 "[ ]" 2 190 1 60 TYR QD 1 88 LYS HA 3.000 . 5.300 4.485 4.485 4.485 . 0 0 "[ ]" 2 191 1 60 TYR QD 1 88 LYS QE 3.000 . 6.300 3.069 3.069 3.069 . 0 0 "[ ]" 2 192 1 60 TYR QD 1 88 LYS QB 3.000 . 6.300 4.866 4.866 4.866 . 0 0 "[ ]" 2 193 1 60 TYR QD 1 91 ASP QB 4.000 . 8.000 4.251 4.251 4.251 . 0 0 "[ ]" 2 194 1 60 TYR QE 1 91 ASP QB 3.000 . 6.300 4.576 4.576 4.576 . 0 0 "[ ]" 2 195 1 60 TYR QE 1 88 LYS QE 4.000 . 8.000 1.993 1.993 1.993 . 0 0 "[ ]" 2 196 1 60 TYR QE 1 88 LYS HA 3.000 . 5.300 4.700 4.700 4.700 . 0 0 "[ ]" 2 197 1 60 TYR QD 1 87 LEU QB 3.000 . 6.300 3.621 3.621 3.621 . 0 0 "[ ]" 2 198 1 60 TYR QD 1 84 ILE MG 3.000 . 6.800 2.180 2.180 2.180 . 0 0 "[ ]" 2 199 1 60 TYR QD 1 87 LEU QD 4.000 . 9.400 3.430 3.430 3.430 . 0 0 "[ ]" 2 200 1 60 TYR HA 1 87 LEU QB 4.000 . 6.000 3.966 3.966 3.966 . 0 0 "[ ]" 2 201 1 60 TYR HA 1 87 LEU QD 3.000 . 5.700 2.440 2.440 2.440 . 0 0 "[ ]" 2 202 1 60 TYR HA 1 84 ILE MG 4.000 . 6.500 3.465 3.465 3.465 . 0 0 "[ ]" 2 203 1 60 TYR HA 1 84 ILE MD 3.000 . 4.800 2.888 2.888 2.888 . 0 0 "[ ]" 2 204 1 60 TYR QB 1 87 LEU QD 3.000 . 6.700 1.804 1.804 1.804 . 0 0 "[ ]" 2 205 1 60 TYR QB 1 84 ILE MG 4.000 . 7.500 2.702 2.702 2.702 . 0 0 "[ ]" 2 206 1 60 TYR QB 1 84 ILE MD 4.000 . 7.500 3.338 3.338 3.338 . 0 0 "[ ]" 2 207 1 64 GLU QB 1 80 HIS HE1 4.000 . 6.000 4.888 4.888 4.888 . 0 0 "[ ]" 2 208 1 64 GLU QG 1 80 HIS HE1 4.000 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 2 209 1 64 GLU HA 1 84 ILE QG 3.000 . 4.300 2.780 2.780 2.780 . 0 0 "[ ]" 2 210 1 64 GLU HA 1 84 ILE MG 3.000 . 4.800 3.336 3.336 3.336 . 0 0 "[ ]" 2 211 1 64 GLU HA 1 84 ILE MD 3.000 . 4.800 1.909 1.909 1.909 . 0 0 "[ ]" 2 212 1 64 GLU HB3 1 84 ILE QG 4.000 . 6.000 4.341 4.341 4.341 . 0 0 "[ ]" 2 213 1 64 GLU HB3 1 84 ILE MG 3.000 . 4.800 3.402 3.402 3.402 . 0 0 "[ ]" 2 214 1 64 GLU HB2 1 84 ILE QG 4.000 . 6.000 2.980 2.980 2.980 . 0 0 "[ ]" 2 215 1 64 GLU HB2 1 84 ILE MG 3.000 . 4.800 1.993 1.993 1.993 . 0 0 "[ ]" 2 216 1 64 GLU QB 1 83 LEU QD 4.000 . 8.400 4.857 4.857 4.857 . 0 0 "[ ]" 2 217 1 64 GLU QG 1 84 ILE QG 3.000 . 5.300 2.390 2.390 2.390 . 0 0 "[ ]" 2 218 1 64 GLU QG 1 84 ILE MG 3.000 . 5.800 2.494 2.494 2.494 . 0 0 "[ ]" 2 219 1 69 CYS QB 1 80 HIS HE1 3.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 2 220 1 70 LEU HA 1 77 PHE HA 4.000 . 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 2 221 1 70 LEU HA 1 80 HIS QB 4.000 . 6.000 3.410 3.410 3.410 . 0 0 "[ ]" 2 222 1 70 LEU QD 1 77 PHE HA 3.000 . 5.700 2.693 2.693 2.693 . 0 0 "[ ]" 2 223 1 70 LEU QD 1 80 HIS QB 3.000 . 6.700 2.799 2.799 2.799 . 0 0 "[ ]" 2 224 1 70 LEU QD 1 80 HIS HD2 3.000 . 5.700 1.975 1.975 1.975 . 0 0 "[ ]" 2 225 1 70 LEU HA 1 80 HIS HD2 4.000 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 2 226 1 94 LEU QD 1 124 MET ME 4.000 . 8.900 2.673 2.673 2.673 . 0 0 "[ ]" 2 227 1 95 TRP HZ2 1 101 ASN HA 4.000 . 5.000 5.130 5.130 5.130 0.130 1 0 "[ ]" 2 228 1 95 TRP HH2 1 101 ASN HA 4.000 . 5.000 2.670 2.670 2.670 . 0 0 "[ ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 98 _Distance_constraint_stats_list.Viol_count 20 _Distance_constraint_stats_list.Viol_total 0.790 _Distance_constraint_stats_list.Viol_max 0.134 _Distance_constraint_stats_list.Viol_rms 0.0219 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0081 _Distance_constraint_stats_list.Viol_average_violations_only 0.0395 _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 9 ILE 0.000 0.000 . 0 "[ ]" 1 10 THR 0.045 0.045 1 0 "[ ]" 1 11 LEU 0.000 0.000 . 0 "[ ]" 1 12 GLN 0.058 0.053 1 0 "[ ]" 1 13 GLU 0.000 0.000 . 0 "[ ]" 1 14 ILE 0.045 0.045 1 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 16 LYS 0.058 0.053 1 0 "[ ]" 1 17 THR 0.081 0.079 1 0 "[ ]" 1 18 LEU 0.000 0.000 . 0 "[ ]" 1 19 ASN 0.000 0.000 . 0 "[ ]" 1 20 SER 0.000 0.000 . 0 "[ ]" 1 21 LEU 0.081 0.079 1 0 "[ ]" 1 33 VAL 0.031 0.031 1 0 "[ ]" 1 45 GLU 0.000 0.000 . 0 "[ ]" 1 46 LYS 0.000 0.000 . 0 "[ ]" 1 47 GLU 0.024 0.024 1 0 "[ ]" 1 48 THR 0.012 0.012 1 0 "[ ]" 1 49 PHE 0.000 0.000 . 0 "[ ]" 1 50 CYS 0.021 0.021 1 0 "[ ]" 1 51 ARG 0.058 0.034 1 0 "[ ]" 1 52 ALA 0.012 0.012 1 0 "[ ]" 1 53 ALA 0.000 0.000 . 0 "[ ]" 1 54 THR 0.038 0.021 1 0 "[ ]" 1 55 VAL 0.083 0.049 1 0 "[ ]" 1 56 LEU 0.000 0.000 . 0 "[ ]" 1 57 ARG 0.000 0.000 . 0 "[ ]" 1 58 GLN 0.017 0.017 1 0 "[ ]" 1 59 PHE 0.049 0.049 1 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 61 SER 0.000 0.000 . 0 "[ ]" 1 75 GLN 0.000 0.000 . 0 "[ ]" 1 76 GLN 0.000 0.000 . 0 "[ ]" 1 77 PHE 0.040 0.040 1 0 "[ ]" 1 79 ARG 0.000 0.000 . 0 "[ ]" 1 80 HIS 0.000 0.000 . 0 "[ ]" 1 81 LYS 0.040 0.040 1 0 "[ ]" 1 82 GLN 0.000 0.000 . 0 "[ ]" 1 83 LEU 0.018 0.018 1 0 "[ ]" 1 84 ILE 0.000 0.000 . 0 "[ ]" 1 85 ARG 0.016 0.016 1 0 "[ ]" 1 86 PHE 0.077 0.077 1 0 "[ ]" 1 87 LEU 0.018 0.018 1 0 "[ ]" 1 88 LYS 0.000 0.000 . 0 "[ ]" 1 89 ARG 0.016 0.016 1 0 "[ ]" 1 90 LEU 0.108 0.077 1 0 "[ ]" 1 91 ASP 0.000 0.000 . 0 "[ ]" 1 92 ARG 0.134 0.134 1 0 "[ ]" 1 93 ASN 0.000 0.000 . 0 "[ ]" 1 94 LEU 0.031 0.031 1 0 "[ ]" 1 96 GLY 0.134 0.134 1 0 "[ ]" 1 111 SER 0.031 0.031 1 0 "[ ]" 1 113 LEU 0.000 0.000 . 0 "[ ]" 1 114 GLU 0.093 0.093 1 0 "[ ]" 1 115 ASN 0.000 0.000 . 0 "[ ]" 1 116 PHE 0.010 0.010 1 0 "[ ]" 1 117 LEU 0.000 0.000 . 0 "[ ]" 1 118 GLU 0.093 0.093 1 0 "[ ]" 1 119 ARG 0.000 0.000 . 0 "[ ]" 1 120 LEU 0.010 0.010 1 0 "[ ]" 1 121 LYS 0.000 0.000 . 0 "[ ]" 1 122 THR 0.000 0.000 . 0 "[ ]" 1 123 ILE 0.000 0.000 . 0 "[ ]" 1 124 MET 0.000 0.000 . 0 "[ ]" 1 125 ARG 0.000 0.000 . 0 "[ ]" 1 126 GLU 0.000 0.000 . 0 "[ ]" 1 127 LYS 0.000 0.000 . 0 "[ ]" 1 128 TYR 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 9 ILE O 1 13 GLU H 1.800 . 2.300 2.217 2.217 2.217 . 0 0 "[ ]" 3 2 1 9 ILE O 1 13 GLU N 2.800 2.400 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 3 3 1 10 THR O 1 14 ILE H 1.800 . 2.300 2.345 2.345 2.345 0.045 1 0 "[ ]" 3 4 1 10 THR O 1 14 ILE N 2.800 2.400 3.300 3.143 3.143 3.143 . 0 0 "[ ]" 3 5 1 11 LEU O 1 15 ILE H 1.800 . 2.300 2.170 2.170 2.170 . 0 0 "[ ]" 3 6 1 11 LEU O 1 15 ILE N 2.800 2.400 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 3 7 1 12 GLN O 1 16 LYS H 1.800 . 2.300 2.353 2.353 2.353 0.053 1 0 "[ ]" 3 8 1 12 GLN O 1 16 LYS N 2.800 2.400 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 3 9 1 13 GLU O 1 17 THR H 1.800 . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 3 10 1 13 GLU O 1 17 THR N 2.800 2.400 3.300 3.140 3.140 3.140 . 0 0 "[ ]" 3 11 1 14 ILE O 1 18 LEU H 1.800 . 2.300 2.296 2.296 2.296 . 0 0 "[ ]" 3 12 1 14 ILE O 1 18 LEU N 2.800 2.400 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 3 13 1 15 ILE O 1 19 ASN H 1.800 . 2.300 2.206 2.206 2.206 . 0 0 "[ ]" 3 14 1 15 ILE O 1 19 ASN N 2.800 2.400 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 3 15 1 16 LYS O 1 20 SER H 1.800 . 2.300 2.259 2.259 2.259 . 0 0 "[ ]" 3 16 1 16 LYS O 1 20 SER N 2.800 2.400 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 3 17 1 17 THR O 1 21 LEU H 1.800 . 2.300 2.379 2.379 2.379 0.079 1 0 "[ ]" 3 18 1 17 THR O 1 21 LEU N 2.800 2.400 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 3 19 1 33 VAL O 1 111 SER N 2.800 2.400 3.300 3.131 3.131 3.131 . 0 0 "[ ]" 3 20 1 33 VAL O 1 111 SER H 1.800 . 2.300 2.331 2.331 2.331 0.031 1 0 "[ ]" 3 21 1 45 GLU O 1 49 PHE H 1.800 . 2.300 2.291 2.291 2.291 . 0 0 "[ ]" 3 22 1 45 GLU O 1 49 PHE N 2.800 2.400 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 3 23 1 46 LYS O 1 50 CYS H 1.800 . 2.300 2.268 2.268 2.268 . 0 0 "[ ]" 3 24 1 46 LYS O 1 50 CYS N 2.800 2.400 3.300 3.188 3.188 3.188 . 0 0 "[ ]" 3 25 1 47 GLU O 1 51 ARG H 1.800 . 2.300 2.324 2.324 2.324 0.024 1 0 "[ ]" 3 26 1 47 GLU O 1 51 ARG N 2.800 2.400 3.300 3.266 3.266 3.266 . 0 0 "[ ]" 3 27 1 48 THR O 1 52 ALA H 1.800 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 3 28 1 48 THR O 1 52 ALA N 2.800 2.400 3.300 3.229 3.229 3.229 . 0 0 "[ ]" 3 29 1 49 PHE O 1 53 ALA H 1.800 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 3 30 1 49 PHE O 1 53 ALA N 2.800 2.400 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 3 31 1 50 CYS O 1 54 THR H 1.800 . 2.300 2.321 2.321 2.321 0.021 1 0 "[ ]" 3 32 1 50 CYS O 1 54 THR N 2.800 2.400 3.300 3.134 3.134 3.134 . 0 0 "[ ]" 3 33 1 51 ARG O 1 55 VAL H 1.800 . 2.300 2.334 2.334 2.334 0.034 1 0 "[ ]" 3 34 1 51 ARG O 1 55 VAL N 2.800 2.400 3.300 3.298 3.298 3.298 . 0 0 "[ ]" 3 35 1 52 ALA O 1 56 LEU H 1.800 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 3 36 1 52 ALA O 1 56 LEU N 2.800 2.400 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 3 37 1 53 ALA O 1 57 ARG H 1.800 . 2.300 2.205 2.205 2.205 . 0 0 "[ ]" 3 38 1 53 ALA O 1 57 ARG N 2.800 2.400 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 3 39 1 54 THR O 1 58 GLN H 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 3 40 1 54 THR O 1 58 GLN N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 3 41 1 55 VAL O 1 59 PHE H 1.800 . 2.300 2.349 2.349 2.349 0.049 1 0 "[ ]" 3 42 1 55 VAL O 1 59 PHE N 2.800 2.400 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 3 43 1 56 LEU O 1 60 TYR H 1.800 . 2.300 2.243 2.243 2.243 . 0 0 "[ ]" 3 44 1 56 LEU O 1 60 TYR N 2.800 2.400 3.300 3.163 3.163 3.163 . 0 0 "[ ]" 3 45 1 57 ARG O 1 61 SER H 1.800 . 2.300 2.229 2.229 2.229 . 0 0 "[ ]" 3 46 1 57 ARG O 1 61 SER N 2.800 2.400 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 3 47 1 75 GLN O 1 79 ARG H 1.800 . 2.300 2.232 2.232 2.232 . 0 0 "[ ]" 3 48 1 75 GLN O 1 79 ARG N 2.800 2.400 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 3 49 1 76 GLN O 1 80 HIS H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 3 50 1 76 GLN O 1 80 HIS N 2.800 2.400 3.300 3.089 3.089 3.089 . 0 0 "[ ]" 3 51 1 77 PHE O 1 81 LYS H 1.800 . 2.300 2.340 2.340 2.340 0.040 1 0 "[ ]" 3 52 1 77 PHE O 1 81 LYS N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 3 53 1 80 HIS O 1 84 ILE H 1.800 . 2.300 2.255 2.255 2.255 . 0 0 "[ ]" 3 54 1 80 HIS O 1 84 ILE N 2.800 2.400 3.300 3.201 3.201 3.201 . 0 0 "[ ]" 3 55 1 82 GLN O 1 86 PHE H 1.800 . 2.300 2.239 2.239 2.239 . 0 0 "[ ]" 3 56 1 82 GLN O 1 86 PHE N 2.800 2.400 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 3 57 1 83 LEU O 1 87 LEU H 1.800 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 3 58 1 83 LEU O 1 87 LEU N 2.800 2.400 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 3 59 1 84 ILE O 1 88 LYS H 1.800 . 2.300 2.224 2.224 2.224 . 0 0 "[ ]" 3 60 1 84 ILE O 1 88 LYS N 2.800 2.400 3.300 3.183 3.183 3.183 . 0 0 "[ ]" 3 61 1 85 ARG O 1 89 ARG H 1.800 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 3 62 1 85 ARG O 1 89 ARG N 2.800 2.400 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 3 63 1 86 PHE O 1 90 LEU H 1.800 . 2.300 2.377 2.377 2.377 0.077 1 0 "[ ]" 3 64 1 86 PHE O 1 90 LEU N 2.800 2.400 3.300 3.287 3.287 3.287 . 0 0 "[ ]" 3 65 1 87 LEU O 1 91 ASP H 1.800 . 2.300 2.196 2.196 2.196 . 0 0 "[ ]" 3 66 1 87 LEU O 1 91 ASP N 2.800 2.400 3.300 2.880 2.880 2.880 . 0 0 "[ ]" 3 67 1 89 ARG O 1 93 ASN H 1.800 . 2.300 2.247 2.247 2.247 . 0 0 "[ ]" 3 68 1 89 ARG O 1 93 ASN N 2.800 2.400 3.300 3.159 3.159 3.159 . 0 0 "[ ]" 3 69 1 90 LEU O 1 94 LEU H 1.800 . 2.300 2.331 2.331 2.331 0.031 1 0 "[ ]" 3 70 1 90 LEU O 1 94 LEU N 2.800 2.400 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 3 71 1 92 ARG O 1 96 GLY H 1.800 . 2.300 2.434 2.434 2.434 0.134 1 0 "[ ]" 3 72 1 92 ARG O 1 96 GLY N 2.800 2.400 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 3 73 1 33 VAL N 1 111 SER O 2.800 2.400 3.300 2.928 2.928 2.928 . 0 0 "[ ]" 3 74 1 33 VAL H 1 111 SER O 1.800 . 2.300 2.168 2.168 2.168 . 0 0 "[ ]" 3 75 1 113 LEU O 1 117 LEU H 1.800 . 2.300 2.152 2.152 2.152 . 0 0 "[ ]" 3 76 1 113 LEU O 1 117 LEU N 2.800 2.400 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 3 77 1 114 GLU O 1 118 GLU H 1.800 . 2.300 2.393 2.393 2.393 0.093 1 0 "[ ]" 3 78 1 114 GLU O 1 118 GLU N 2.800 2.400 3.300 3.270 3.270 3.270 . 0 0 "[ ]" 3 79 1 115 ASN O 1 119 ARG H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 3 80 1 115 ASN O 1 119 ARG N 2.800 2.400 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 3 81 1 116 PHE O 1 120 LEU H 1.800 . 2.300 2.310 2.310 2.310 0.010 1 0 "[ ]" 3 82 1 116 PHE O 1 120 LEU N 2.800 2.400 3.300 3.040 3.040 3.040 . 0 0 "[ ]" 3 83 1 117 LEU O 1 121 LYS H 1.800 . 2.300 2.215 2.215 2.215 . 0 0 "[ ]" 3 84 1 117 LEU O 1 121 LYS N 2.800 2.400 3.300 3.119 3.119 3.119 . 0 0 "[ ]" 3 85 1 118 GLU O 1 122 THR H 1.800 . 2.300 2.262 2.262 2.262 . 0 0 "[ ]" 3 86 1 118 GLU O 1 122 THR N 2.800 2.400 3.300 3.215 3.215 3.215 . 0 0 "[ ]" 3 87 1 119 ARG O 1 123 ILE H 1.800 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 3 88 1 119 ARG O 1 123 ILE N 2.800 2.400 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 3 89 1 120 LEU O 1 124 MET H 1.800 . 2.300 2.241 2.241 2.241 . 0 0 "[ ]" 3 90 1 120 LEU O 1 124 MET N 2.800 2.400 3.300 3.174 3.174 3.174 . 0 0 "[ ]" 3 91 1 121 LYS O 1 125 ARG H 1.800 . 2.300 2.213 2.213 2.213 . 0 0 "[ ]" 3 92 1 121 LYS O 1 125 ARG N 2.800 2.400 3.300 3.179 3.179 3.179 . 0 0 "[ ]" 3 93 1 122 THR O 1 126 GLU H 1.800 . 2.300 2.237 2.237 2.237 . 0 0 "[ ]" 3 94 1 122 THR O 1 126 GLU N 2.800 2.400 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 3 95 1 123 ILE O 1 127 LYS H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 3 96 1 123 ILE O 1 127 LYS N 2.800 2.400 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 3 97 1 124 MET O 1 128 TYR H 1.800 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 3 98 1 124 MET O 1 128 TYR N 2.800 2.400 3.300 2.995 2.995 2.995 . 0 0 "[ ]" 3 stop_ save_
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