NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
384695 | 1klc | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1klc 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 1253 _Distance_constraint_stats_list.Viol_count 122 _Distance_constraint_stats_list.Viol_total 5.335 _Distance_constraint_stats_list.Viol_max 0.187 _Distance_constraint_stats_list.Viol_rms 0.0179 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0043 _Distance_constraint_stats_list.Viol_average_violations_only 0.0437 _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 1 ALA 0.000 0.000 . 0 "[ ]" 1 2 LEU 0.111 0.070 1 0 "[ ]" 1 3 ASP 0.159 0.070 1 0 "[ ]" 1 4 THR 0.025 0.025 1 0 "[ ]" 1 5 ASN 0.002 0.002 1 0 "[ ]" 1 6 TYR 0.150 0.065 1 0 "[ ]" 1 7 CYS 0.027 0.026 1 0 "[ ]" 1 8 PHE 0.009 0.009 1 0 "[ ]" 1 9 SER 0.000 0.000 . 0 "[ ]" 1 10 SER 0.000 0.000 . 0 "[ ]" 1 11 THR 0.001 0.001 1 0 "[ ]" 1 12 GLU 0.001 0.001 1 0 "[ ]" 1 13 LYS 0.000 0.000 . 0 "[ ]" 1 14 ASN 0.000 0.000 . 0 "[ ]" 1 15 CYS 0.035 0.035 1 0 "[ ]" 1 16 CYS 0.000 0.000 . 0 "[ ]" 1 17 VAL 0.026 0.026 1 0 "[ ]" 1 18 ARG 0.000 0.000 . 0 "[ ]" 1 19 GLN 0.023 0.014 1 0 "[ ]" 1 20 LEU 0.024 0.024 1 0 "[ ]" 1 21 TYR 0.158 0.048 1 0 "[ ]" 1 22 ILE 0.027 0.015 1 0 "[ ]" 1 23 ASP 0.121 0.073 1 0 "[ ]" 1 24 PHE 0.164 0.085 1 0 "[ ]" 1 25 ARG 0.056 0.056 1 0 "[ ]" 1 26 LYS 0.177 0.084 1 0 "[ ]" 1 27 ASP 0.327 0.167 1 0 "[ ]" 1 28 LEU 0.030 0.030 1 0 "[ ]" 1 29 GLY 0.030 0.030 1 0 "[ ]" 1 30 TRP 0.204 0.057 1 0 "[ ]" 1 31 LYS 0.247 0.187 1 0 "[ ]" 1 32 TRP 0.334 0.063 1 0 "[ ]" 1 33 ILE 0.261 0.057 1 0 "[ ]" 1 34 HIS 0.014 0.014 1 0 "[ ]" 1 35 GLU 0.004 0.004 1 0 "[ ]" 1 36 PRO 0.042 0.042 1 0 "[ ]" 1 37 LYS 0.251 0.172 1 0 "[ ]" 1 38 GLY 0.148 0.045 1 0 "[ ]" 1 39 TYR 0.048 0.020 1 0 "[ ]" 1 40 HIS 0.029 0.029 1 0 "[ ]" 1 41 ALA 0.021 0.011 1 0 "[ ]" 1 42 ASN 0.000 0.000 . 0 "[ ]" 1 43 PHE 0.084 0.059 1 0 "[ ]" 1 44 CYS 0.000 0.000 . 0 "[ ]" 1 45 LEU 0.063 0.059 1 0 "[ ]" 1 46 GLY 0.003 0.003 1 0 "[ ]" 1 47 PRO 0.022 0.022 1 0 "[ ]" 1 48 CYS 0.022 0.022 1 0 "[ ]" 1 49 PRO 0.000 0.000 . 0 "[ ]" 1 50 TYR 0.000 0.000 . 0 "[ ]" 1 51 ILE 0.068 0.054 1 0 "[ ]" 1 52 TRP 0.147 0.054 1 0 "[ ]" 1 53 SER 0.000 0.000 . 0 "[ ]" 1 54 LEU 0.157 0.143 1 0 "[ ]" 1 55 ASP 0.026 0.026 1 0 "[ ]" 1 56 THR 0.008 0.008 1 0 "[ ]" 1 57 GLN 0.000 0.000 . 0 "[ ]" 1 58 TYR 0.008 0.008 1 0 "[ ]" 1 59 SER 0.003 0.003 1 0 "[ ]" 1 60 LYS 0.143 0.143 1 0 "[ ]" 1 61 VAL 0.000 0.000 . 0 "[ ]" 1 62 LEU 0.003 0.003 1 0 "[ ]" 1 63 ALA 0.042 0.027 1 0 "[ ]" 1 64 LEU 0.134 0.071 1 0 "[ ]" 1 65 TYR 0.114 0.071 1 0 "[ ]" 1 66 ASN 0.221 0.119 1 0 "[ ]" 1 67 GLN 0.241 0.088 1 0 "[ ]" 1 68 HIS 0.274 0.119 1 0 "[ ]" 1 69 ASN 0.016 0.011 1 0 "[ ]" 1 70 PRO 0.000 0.000 . 0 "[ ]" 1 71 GLY 0.000 0.000 . 0 "[ ]" 1 72 ALA 0.075 0.070 1 0 "[ ]" 1 73 SER 0.070 0.070 1 0 "[ ]" 1 74 ALA 0.000 0.000 . 0 "[ ]" 1 75 ALA 0.031 0.031 1 0 "[ ]" 1 76 PRO 0.017 0.017 1 0 "[ ]" 1 77 CYS 0.017 0.017 1 0 "[ ]" 1 78 CYS 0.000 0.000 . 0 "[ ]" 1 79 VAL 0.156 0.156 1 0 "[ ]" 1 80 PRO 0.131 0.131 1 0 "[ ]" 1 81 GLN 0.000 0.000 . 0 "[ ]" 1 82 ALA 0.026 0.026 1 0 "[ ]" 1 83 LEU 0.212 0.093 1 0 "[ ]" 1 84 GLU 0.137 0.093 1 0 "[ ]" 1 85 PRO 0.010 0.010 1 0 "[ ]" 1 86 LEU 0.300 0.087 1 0 "[ ]" 1 87 PRO 0.000 0.000 . 0 "[ ]" 1 88 ILE 0.217 0.114 1 0 "[ ]" 1 89 VAL 0.114 0.114 1 0 "[ ]" 1 90 TYR 0.221 0.063 1 0 "[ ]" 1 91 TYR 0.375 0.102 1 0 "[ ]" 1 92 VAL 0.115 0.091 1 0 "[ ]" 1 93 GLY 0.000 0.000 . 0 "[ ]" 1 94 ARG 0.256 0.122 1 0 "[ ]" 1 95 LYS 0.208 0.122 1 0 "[ ]" 1 96 PRO 0.074 0.074 1 0 "[ ]" 1 97 LYS 0.029 0.016 1 0 "[ ]" 1 98 VAL 0.000 0.000 . 0 "[ ]" 1 99 GLU 0.228 0.110 1 0 "[ ]" 1 100 GLN 0.312 0.110 1 0 "[ ]" 1 101 LEU 0.290 0.102 1 0 "[ ]" 1 102 SER 0.078 0.078 1 0 "[ ]" 1 103 ASN 0.096 0.076 1 0 "[ ]" 1 104 MET 0.099 0.076 1 0 "[ ]" 1 105 ILE 0.074 0.031 1 0 "[ ]" 1 106 VAL 0.151 0.131 1 0 "[ ]" 1 107 ARG 0.026 0.026 1 0 "[ ]" 1 108 SER 0.000 0.000 . 0 "[ ]" 1 109 CYS 0.000 0.000 . 0 "[ ]" 1 110 LYS 0.000 0.000 . 0 "[ ]" 1 111 CYS 0.039 0.026 1 0 "[ ]" 1 112 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 1 ALA HA 1 2 LEU H 2.500 . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1 2 1 1 ALA MB 1 2 LEU H 3.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 1 3 1 2 LEU H 1 2 LEU HB2 3.000 . 3.300 2.633 2.633 2.633 . 0 0 "[ ]" 1 4 1 2 LEU H 1 2 LEU HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 1 5 1 2 LEU H 1 2 LEU HG 3.000 . 3.300 2.359 2.359 2.359 . 0 0 "[ ]" 1 6 1 2 LEU HA 1 3 ASP H 2.500 . 2.800 2.514 2.514 2.514 . 0 0 "[ ]" 1 7 1 2 LEU HB2 1 3 ASP H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 1 8 1 2 LEU HB3 1 3 ASP H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 1 9 1 2 LEU MD2 1 3 ASP H 4.000 . 5.300 3.906 3.906 3.906 . 0 0 "[ ]" 1 10 1 3 ASP H 1 3 ASP HB3 3.000 . 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 1 11 1 3 ASP H 1 6 TYR H 4.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1 12 1 3 ASP H 1 6 TYR HB3 3.000 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1 13 1 3 ASP H 1 6 TYR HD2 4.000 . 4.300 3.978 3.978 3.978 . 0 0 "[ ]" 1 14 1 3 ASP H 1 7 CYS H 4.000 . 4.300 3.939 3.939 3.939 . 0 0 "[ ]" 1 15 1 3 ASP HA 1 4 THR H 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1 16 1 3 ASP HB2 1 4 THR H 2.500 . 2.800 1.881 1.881 1.881 . 0 0 "[ ]" 1 17 1 3 ASP HB3 1 4 THR H 3.000 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1 18 1 4 THR H 1 4 THR MG 2.500 . 3.800 1.886 1.886 1.886 . 0 0 "[ ]" 1 19 1 4 THR H 1 17 VAL MG1 4.000 . 5.300 2.821 2.821 2.821 . 0 0 "[ ]" 1 20 1 4 THR H 1 17 VAL MG2 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1 21 1 4 THR H 1 108 SER HA 4.000 . 4.300 3.220 3.220 3.220 . 0 0 "[ ]" 1 22 1 5 ASN H 1 6 TYR H 3.000 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1 23 1 3 ASP QB 1 6 TYR H 4.000 . 5.300 4.091 4.091 4.091 . 0 0 "[ ]" 1 24 1 5 ASN HA 1 6 TYR H 4.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1 25 1 5 ASN QB 1 6 TYR H 3.000 . 4.300 2.556 2.556 2.556 . 0 0 "[ ]" 1 26 1 6 TYR H 1 6 TYR HB2 2.500 . 2.800 2.859 2.859 2.859 0.059 1 0 "[ ]" 1 27 1 6 TYR H 1 6 TYR HB3 2.500 . 2.800 2.321 2.321 2.321 . 0 0 "[ ]" 1 28 1 6 TYR H 1 6 TYR HD2 4.000 . 4.300 4.365 4.365 4.365 0.065 1 0 "[ ]" 1 29 1 6 TYR H 1 7 CYS H 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1 30 1 4 THR HA 1 7 CYS H 4.000 . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 1 31 1 5 ASN HA 1 7 CYS H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1 32 1 6 TYR HA 1 7 CYS H 4.000 . 4.300 3.470 3.470 3.470 . 0 0 "[ ]" 1 33 1 6 TYR HB2 1 7 CYS H 4.000 . 4.300 4.225 4.225 4.225 . 0 0 "[ ]" 1 34 1 6 TYR HB3 1 7 CYS H 3.000 . 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 1 35 1 6 TYR HD2 1 7 CYS H 4.000 . 4.300 3.849 3.849 3.849 . 0 0 "[ ]" 1 36 1 7 CYS H 1 7 CYS HB2 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1 37 1 7 CYS H 1 7 CYS HB3 4.000 . 4.300 3.640 3.640 3.640 . 0 0 "[ ]" 1 38 1 7 CYS H 1 8 PHE H 3.000 . 3.300 2.277 2.277 2.277 . 0 0 "[ ]" 1 39 1 7 CYS H 1 17 VAL MG1 4.000 . 5.300 3.344 3.344 3.344 . 0 0 "[ ]" 1 40 1 7 CYS HA 1 8 PHE H 4.000 . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1 41 1 7 CYS HB3 1 8 PHE H 4.000 . 4.300 3.942 3.942 3.942 . 0 0 "[ ]" 1 42 1 7 CYS HB2 1 8 PHE H 3.000 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1 43 1 8 PHE H 1 8 PHE HB2 2.500 . 2.800 2.231 2.231 2.231 . 0 0 "[ ]" 1 44 1 8 PHE H 1 8 PHE HD1 3.000 . 3.300 3.124 3.124 3.124 . 0 0 "[ ]" 1 45 1 8 PHE H 1 9 SER H 3.000 . 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 1 46 1 8 PHE HA 1 9 SER H 3.000 . 3.300 2.966 2.966 2.966 . 0 0 "[ ]" 1 47 1 8 PHE HB2 1 9 SER H 4.000 . 4.300 4.166 4.166 4.166 . 0 0 "[ ]" 1 48 1 9 SER H 1 10 SER H 4.000 . 4.300 3.033 3.033 3.033 . 0 0 "[ ]" 1 49 1 10 SER HA 1 11 THR H 3.000 . 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 1 50 1 10 SER QB 1 11 THR H 2.500 . 3.800 2.262 2.262 2.262 . 0 0 "[ ]" 1 51 1 11 THR H 1 11 THR HA 3.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 1 52 1 11 THR H 1 11 THR HB 3.000 . 3.300 3.228 3.228 3.228 . 0 0 "[ ]" 1 53 1 11 THR H 1 11 THR MG 3.000 . 4.300 3.603 3.603 3.603 . 0 0 "[ ]" 1 54 1 11 THR HA 1 12 GLU H 3.000 . 3.300 2.279 2.279 2.279 . 0 0 "[ ]" 1 55 1 11 THR HB 1 12 GLU H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1 56 1 12 GLU H 1 12 GLU QB 3.000 . 4.300 2.730 2.730 2.730 . 0 0 "[ ]" 1 57 1 12 GLU HA 1 13 LYS H 3.000 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 1 58 1 12 GLU QB 1 13 LYS H 3.000 . 4.300 3.203 3.203 3.203 . 0 0 "[ ]" 1 59 1 13 LYS H 1 13 LYS QB 2.500 . 3.800 2.913 2.913 2.913 . 0 0 "[ ]" 1 60 1 13 LYS H 1 13 LYS QG 4.000 . 5.300 2.350 2.350 2.350 . 0 0 "[ ]" 1 61 1 13 LYS H 1 14 ASN H 2.500 . 2.800 1.875 1.875 1.875 . 0 0 "[ ]" 1 62 1 12 GLU QB 1 14 ASN H 4.000 . 5.300 4.411 4.411 4.411 . 0 0 "[ ]" 1 63 1 12 GLU QG 1 14 ASN H 3.000 . 4.300 2.611 2.611 2.611 . 0 0 "[ ]" 1 64 1 13 LYS HA 1 14 ASN H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1 65 1 13 LYS QB 1 14 ASN H 3.000 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 1 66 1 13 LYS QG 1 14 ASN H 4.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 1 67 1 14 ASN H 1 14 ASN HB2 3.000 . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1 68 1 14 ASN HA 1 15 CYS H 3.000 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1 69 1 14 ASN HB2 1 15 CYS H 3.000 . 3.300 2.246 2.246 2.246 . 0 0 "[ ]" 1 70 1 14 ASN HB3 1 15 CYS H 3.000 . 3.300 2.011 2.011 2.011 . 0 0 "[ ]" 1 71 1 15 CYS H 1 15 CYS HA 3.000 . 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 1 72 1 15 CYS H 1 15 CYS HB3 3.000 . 3.300 2.289 2.289 2.289 . 0 0 "[ ]" 1 73 1 15 CYS H 1 15 CYS HB2 3.000 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1 74 1 15 CYS H 1 48 CYS HA 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1 75 1 15 CYS H 1 52 TRP HD1 3.000 . 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 1 76 1 15 CYS HA 1 16 CYS H 2.500 . 2.800 2.372 2.372 2.372 . 0 0 "[ ]" 1 77 1 16 CYS H 1 45 LEU H 4.000 . 4.300 3.118 3.118 3.118 . 0 0 "[ ]" 1 78 1 2 LEU HA 1 17 VAL H 4.000 . 4.300 4.238 4.238 4.238 . 0 0 "[ ]" 1 79 1 7 CYS HB2 1 17 VAL H 4.000 . 4.300 3.395 3.395 3.395 . 0 0 "[ ]" 1 80 1 7 CYS HB3 1 17 VAL H 4.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1 81 1 16 CYS HA 1 17 VAL H 2.500 . 2.800 2.196 2.196 2.196 . 0 0 "[ ]" 1 82 1 16 CYS QB 1 17 VAL H 4.000 . 5.300 3.698 3.698 3.698 . 0 0 "[ ]" 1 83 1 17 VAL H 1 17 VAL HB 3.000 . 3.300 2.432 2.432 2.432 . 0 0 "[ ]" 1 84 1 17 VAL H 1 17 VAL MG1 2.500 . 3.800 2.201 2.201 2.201 . 0 0 "[ ]" 1 85 1 17 VAL H 1 17 VAL MG2 4.000 . 5.300 3.750 3.750 3.750 . 0 0 "[ ]" 1 86 1 17 VAL HA 1 18 ARG H 3.000 . 3.300 2.207 2.207 2.207 . 0 0 "[ ]" 1 87 1 17 VAL MG1 1 18 ARG H 4.000 . 5.300 3.781 3.781 3.781 . 0 0 "[ ]" 1 88 1 17 VAL MG2 1 18 ARG H 3.000 . 4.300 2.523 2.523 2.523 . 0 0 "[ ]" 1 89 1 18 ARG H 1 18 ARG QG 4.000 . 5.300 3.198 3.198 3.198 . 0 0 "[ ]" 1 90 1 18 ARG H 1 43 PHE H 4.000 . 4.300 3.199 3.199 3.199 . 0 0 "[ ]" 1 91 1 18 ARG H 1 44 CYS HA 3.000 . 3.300 2.838 2.838 2.838 . 0 0 "[ ]" 1 92 1 8 PHE HE1 1 19 GLN H 3.000 . 3.300 2.349 2.349 2.349 . 0 0 "[ ]" 1 93 1 18 ARG HA 1 19 GLN H 3.000 . 3.300 2.432 2.432 2.432 . 0 0 "[ ]" 1 94 1 18 ARG QG 1 19 GLN H 3.000 . 4.300 3.440 3.440 3.440 . 0 0 "[ ]" 1 95 1 18 ARG QD 1 19 GLN H 4.000 . 5.300 4.384 4.384 4.384 . 0 0 "[ ]" 1 96 1 19 GLN H 1 19 GLN HB3 2.500 . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 1 97 1 19 GLN H 1 19 GLN HB2 4.000 . 4.300 3.613 3.613 3.613 . 0 0 "[ ]" 1 98 1 19 GLN H 1 19 GLN QG 2.500 . 3.800 2.243 2.243 2.243 . 0 0 "[ ]" 1 99 1 19 GLN H 1 43 PHE HE1 4.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 1 100 1 19 GLN HA 1 20 LEU H 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1 101 1 19 GLN HB2 1 20 LEU H 4.000 . 4.300 3.171 3.171 3.171 . 0 0 "[ ]" 1 102 1 20 LEU H 1 42 ASN H 3.000 . 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 1 103 1 20 LEU H 1 42 ASN HA 3.000 . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 1 104 1 19 GLN HA 1 21 TYR H 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1 105 1 20 LEU HA 1 21 TYR H 2.500 . 2.800 2.800 2.800 2.800 . 1 0 "[ ]" 1 106 1 20 LEU MD1 1 21 TYR H 4.000 . 5.300 3.995 3.995 3.995 . 0 0 "[ ]" 1 107 1 21 TYR H 1 21 TYR HA 3.000 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 1 108 1 21 TYR H 1 21 TYR HB2 2.500 . 2.800 2.611 2.611 2.611 . 0 0 "[ ]" 1 109 1 21 TYR H 1 21 TYR HB3 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 1 110 1 21 TYR HD1 1 22 ILE H 3.000 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 1 111 1 21 TYR HD2 1 22 ILE H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1 112 1 21 TYR HA 1 22 ILE H 2.500 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1 113 1 22 ILE H 1 22 ILE HB 3.000 . 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 1 114 1 22 ILE H 1 22 ILE QG 3.000 . 4.300 2.732 2.732 2.732 . 0 0 "[ ]" 1 115 1 22 ILE H 1 22 ILE MG 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1 116 1 22 ILE H 1 39 TYR H 3.000 . 3.300 2.653 2.653 2.653 . 0 0 "[ ]" 1 117 1 22 ILE H 1 40 HIS HA 4.000 . 4.300 3.838 3.838 3.838 . 0 0 "[ ]" 1 118 1 22 ILE H 1 41 ALA MB 4.000 . 5.300 3.180 3.180 3.180 . 0 0 "[ ]" 1 119 1 22 ILE HA 1 23 ASP H 2.500 . 2.800 2.192 2.192 2.192 . 0 0 "[ ]" 1 120 1 22 ILE QG 1 23 ASP H 4.000 . 5.300 4.295 4.295 4.295 . 0 0 "[ ]" 1 121 1 22 ILE MG 1 23 ASP H 3.000 . 4.300 2.706 2.706 2.706 . 0 0 "[ ]" 1 122 1 23 ASP H 1 23 ASP HB3 3.000 . 3.300 2.466 2.466 2.466 . 0 0 "[ ]" 1 123 1 23 ASP H 1 23 ASP HB2 3.000 . 3.300 2.772 2.772 2.772 . 0 0 "[ ]" 1 124 1 23 ASP H 1 27 ASP HB2 3.000 . 3.300 2.635 2.635 2.635 . 0 0 "[ ]" 1 125 1 23 ASP H 1 27 ASP H 4.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1 126 1 21 TYR HE1 1 24 PHE H 4.000 . 4.300 4.336 4.336 4.336 0.036 1 0 "[ ]" 1 127 1 23 ASP HA 1 24 PHE H 2.500 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 1 128 1 24 PHE H 1 24 PHE HA 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 1 129 1 24 PHE H 1 24 PHE HB2 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 1 130 1 24 PHE H 1 24 PHE HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 1 131 1 24 PHE H 1 24 PHE HD2 3.000 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1 132 1 24 PHE H 1 25 ARG H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 1 133 1 24 PHE H 1 38 GLY QA 2.500 . 3.800 1.850 1.850 1.850 . 0 0 "[ ]" 1 134 1 24 PHE HA 1 25 ARG H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 1 135 1 24 PHE HB2 1 25 ARG H 3.000 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 1 136 1 24 PHE HB3 1 25 ARG H 3.000 . 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 1 137 1 25 ARG H 1 25 ARG QB 2.500 . 3.800 2.299 2.299 2.299 . 0 0 "[ ]" 1 138 1 25 ARG H 1 26 LYS H 3.000 . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 1 139 1 25 ARG H 1 27 ASP H 4.000 . 4.300 4.356 4.356 4.356 0.056 1 0 "[ ]" 1 140 1 23 ASP HA 1 26 LYS H 4.000 . 4.300 4.373 4.373 4.373 0.073 1 0 "[ ]" 1 141 1 23 ASP QB 1 26 LYS H 3.000 . 4.300 2.765 2.765 2.765 . 0 0 "[ ]" 1 142 1 25 ARG HA 1 26 LYS H 4.000 . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 1 143 1 25 ARG QB 1 26 LYS H 2.500 . 3.800 2.630 2.630 2.630 . 0 0 "[ ]" 1 144 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1 145 1 26 LYS H 1 26 LYS HB2 3.000 . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 1 146 1 26 LYS H 1 26 LYS HB3 3.000 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 1 147 1 26 LYS H 1 27 ASP H 2.500 . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1 148 1 22 ILE MG 1 27 ASP H 4.000 . 5.300 3.448 3.448 3.448 . 0 0 "[ ]" 1 149 1 23 ASP QB 1 27 ASP H 3.000 . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 1 150 1 26 LYS HB2 1 27 ASP H 3.000 . 3.300 3.384 3.384 3.384 0.084 1 0 "[ ]" 1 151 1 26 LYS HB3 1 27 ASP H 3.000 . 3.300 2.350 2.350 2.350 . 0 0 "[ ]" 1 152 1 27 ASP H 1 27 ASP HB2 3.000 . 3.300 2.161 2.161 2.161 . 0 0 "[ ]" 1 153 1 27 ASP H 1 27 ASP HB3 3.000 . 3.300 3.467 3.467 3.467 0.167 1 0 "[ ]" 1 154 1 27 ASP H 1 28 LEU H 2.500 . 2.800 2.618 2.618 2.618 . 0 0 "[ ]" 1 155 1 27 ASP H 1 29 GLY H 4.000 . 4.300 3.501 3.501 3.501 . 0 0 "[ ]" 1 156 1 22 ILE MG 1 28 LEU H 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 1 157 1 24 PHE HA 1 28 LEU H 4.000 . 4.300 3.609 3.609 3.609 . 0 0 "[ ]" 1 158 1 27 ASP HB2 1 28 LEU H 2.500 . 2.800 2.592 2.592 2.592 . 0 0 "[ ]" 1 159 1 27 ASP HB3 1 28 LEU H 3.000 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1 160 1 28 LEU H 1 28 LEU HB2 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1 161 1 28 LEU H 1 28 LEU HB3 4.000 . 4.300 3.662 3.662 3.662 . 0 0 "[ ]" 1 162 1 28 LEU H 1 28 LEU HG 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1 163 1 28 LEU H 1 28 LEU MD2 4.000 . 5.300 3.088 3.088 3.088 . 0 0 "[ ]" 1 164 1 28 LEU H 1 29 GLY H 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1 165 1 25 ARG HA 1 29 GLY H 2.500 . 2.800 2.518 2.518 2.518 . 0 0 "[ ]" 1 166 1 28 LEU HA 1 29 GLY H 4.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 1 167 1 28 LEU HB2 1 29 GLY H 3.000 . 3.300 3.100 3.100 3.100 . 0 0 "[ ]" 1 168 1 28 LEU HB3 1 29 GLY H 4.000 . 4.300 4.091 4.091 4.091 . 0 0 "[ ]" 1 169 1 28 LEU HG 1 29 GLY H 4.000 . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 1 170 1 29 GLY H 1 29 GLY HA3 3.000 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1 171 1 29 GLY H 1 29 GLY HA2 2.500 . 2.800 2.360 2.360 2.360 . 0 0 "[ ]" 1 172 1 29 GLY H 1 30 TRP H 3.000 . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 1 173 1 25 ARG HA 1 30 TRP H 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 1 174 1 28 LEU HB3 1 30 TRP H 3.000 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1 175 1 28 LEU HB2 1 30 TRP H 2.500 . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1 176 1 29 GLY QA 1 30 TRP H 3.000 . 4.300 2.916 2.916 2.916 . 0 0 "[ ]" 1 177 1 30 TRP H 1 30 TRP HB2 3.000 . 3.300 2.301 2.301 2.301 . 0 0 "[ ]" 1 178 1 30 TRP H 1 30 TRP HB3 4.000 . 4.300 3.575 3.575 3.575 . 0 0 "[ ]" 1 179 1 30 TRP HA 1 31 LYS H 2.500 . 2.800 2.186 2.186 2.186 . 0 0 "[ ]" 1 180 1 30 TRP HB3 1 31 LYS H 4.000 . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 1 181 1 31 LYS H 1 31 LYS HB3 3.000 . 3.300 3.487 3.487 3.487 0.187 1 0 "[ ]" 1 182 1 31 LYS H 1 31 LYS HB2 2.500 . 2.800 2.240 2.240 2.240 . 0 0 "[ ]" 1 183 1 31 LYS H 1 31 LYS QG 3.000 . 4.300 3.254 3.254 3.254 . 0 0 "[ ]" 1 184 1 31 LYS H 1 32 TRP H 2.500 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1 185 1 31 LYS H 1 32 TRP HD1 4.000 . 4.300 3.014 3.014 3.014 . 0 0 "[ ]" 1 186 1 30 TRP HA 1 32 TRP H 4.000 . 4.300 3.550 3.550 3.550 . 0 0 "[ ]" 1 187 1 30 TRP HB3 1 32 TRP H 4.000 . 4.300 3.223 3.223 3.223 . 0 0 "[ ]" 1 188 1 31 LYS HA 1 32 TRP H 4.000 . 4.300 3.408 3.408 3.408 . 0 0 "[ ]" 1 189 1 31 LYS HB2 1 32 TRP H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1 190 1 31 LYS HB3 1 32 TRP H 4.000 . 4.300 3.834 3.834 3.834 . 0 0 "[ ]" 1 191 1 32 TRP H 1 32 TRP HB3 3.000 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 1 192 1 32 TRP H 1 32 TRP HB2 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 1 193 1 32 TRP H 1 32 TRP HE1 4.000 . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 1 194 1 32 TRP H 1 33 ILE HB 4.000 . 4.300 4.310 4.310 4.310 0.010 1 0 "[ ]" 1 195 1 32 TRP H 1 33 ILE QG 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 1 196 1 32 TRP H 1 33 ILE H 3.000 . 3.300 2.470 2.470 2.470 . 0 0 "[ ]" 1 197 1 31 LYS HA 1 33 ILE H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 1 198 1 32 TRP HA 1 33 ILE H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1 199 1 32 TRP HB3 1 33 ILE H 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 1 200 1 33 ILE H 1 33 ILE HA 3.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 1 201 1 33 ILE H 1 33 ILE HB 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1 202 1 33 ILE H 1 33 ILE MG 4.000 . 5.300 3.691 3.691 3.691 . 0 0 "[ ]" 1 203 1 33 ILE H 1 33 ILE QG 2.500 . 3.800 3.270 3.270 3.270 . 0 0 "[ ]" 1 204 1 33 ILE H 1 33 ILE MD 4.000 . 5.300 4.162 4.162 4.162 . 0 0 "[ ]" 1 205 1 33 ILE HA 1 34 HIS H 2.500 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1 206 1 33 ILE MG 1 34 HIS H 3.000 . 4.300 2.634 2.634 2.634 . 0 0 "[ ]" 1 207 1 34 HIS H 1 34 HIS QB 2.500 . 3.800 2.256 2.256 2.256 . 0 0 "[ ]" 1 208 1 34 HIS H 1 35 GLU H 3.000 . 3.300 2.433 2.433 2.433 . 0 0 "[ ]" 1 209 1 34 HIS H 1 89 VAL H 4.000 . 4.300 3.769 3.769 3.769 . 0 0 "[ ]" 1 210 1 34 HIS H 1 90 TYR HA 3.000 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 1 211 1 34 HIS H 1 90 TYR HB2 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1 212 1 34 HIS H 1 90 TYR HB3 4.000 . 4.300 3.191 3.191 3.191 . 0 0 "[ ]" 1 213 1 33 ILE HA 1 35 GLU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 1 214 1 33 ILE MG 1 35 GLU H 3.000 . 4.300 2.951 2.951 2.951 . 0 0 "[ ]" 1 215 1 34 HIS HA 1 35 GLU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 1 216 1 34 HIS QB 1 35 GLU H 3.000 . 4.300 2.416 2.416 2.416 . 0 0 "[ ]" 1 217 1 35 GLU H 1 35 GLU HB2 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 1 218 1 35 GLU H 1 35 GLU HB3 4.000 . 4.300 3.684 3.684 3.684 . 0 0 "[ ]" 1 219 1 35 GLU H 1 89 VAL HB 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1 220 1 35 GLU H 1 89 VAL MG1 4.000 . 5.300 4.085 4.085 4.085 . 0 0 "[ ]" 1 221 1 35 GLU H 1 89 VAL MG2 4.000 . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 1 222 1 35 GLU H 1 89 VAL H 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 1 223 1 36 PRO HA 1 37 LYS H 3.000 . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 1 224 1 36 PRO QB 1 37 LYS H 2.500 . 3.800 2.469 2.469 2.469 . 0 0 "[ ]" 1 225 1 36 PRO QG 1 37 LYS H 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1 226 1 37 LYS H 1 37 LYS HA 3.000 . 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 1 227 1 37 LYS H 1 37 LYS HB2 2.500 . 2.800 2.149 2.149 2.149 . 0 0 "[ ]" 1 228 1 37 LYS H 1 37 LYS HB3 3.000 . 3.300 3.472 3.472 3.472 0.172 1 0 "[ ]" 1 229 1 37 LYS H 1 37 LYS QG 3.000 . 4.300 2.849 2.849 2.849 . 0 0 "[ ]" 1 230 1 37 LYS H 1 37 LYS QD 4.000 . 5.300 3.200 3.200 3.200 . 0 0 "[ ]" 1 231 1 37 LYS H 1 38 GLY H 2.500 . 2.800 2.655 2.655 2.655 . 0 0 "[ ]" 1 232 1 24 PHE HD2 1 38 GLY H 4.000 . 4.300 3.264 3.264 3.264 . 0 0 "[ ]" 1 233 1 24 PHE HE2 1 38 GLY H 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 1 234 1 36 PRO HA 1 38 GLY H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 1 235 1 36 PRO QB 1 38 GLY H 2.500 . 3.800 2.436 2.436 2.436 . 0 0 "[ ]" 1 236 1 36 PRO QG 1 38 GLY H 4.000 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1 237 1 37 LYS HA 1 38 GLY H 4.000 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 1 238 1 37 LYS HB2 1 38 GLY H 2.500 . 2.800 2.833 2.833 2.833 0.033 1 0 "[ ]" 1 239 1 37 LYS HB3 1 38 GLY H 3.000 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1 240 1 37 LYS QG 1 38 GLY H 4.000 . 5.300 4.377 4.377 4.377 . 0 0 "[ ]" 1 241 1 38 GLY H 1 38 GLY QA 2.500 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1 242 1 21 TYR HE2 1 39 TYR H 4.000 . 4.300 3.404 3.404 3.404 . 0 0 "[ ]" 1 243 1 22 ILE HB 1 39 TYR H 4.000 . 4.300 3.995 3.995 3.995 . 0 0 "[ ]" 1 244 1 23 ASP HA 1 39 TYR H 4.000 . 4.300 3.737 3.737 3.737 . 0 0 "[ ]" 1 245 1 38 GLY QA 1 39 TYR H 2.500 . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 1 246 1 39 TYR H 1 39 TYR HA 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 1 247 1 39 TYR H 1 39 TYR HD1 3.000 . 3.300 2.549 2.549 2.549 . 0 0 "[ ]" 1 248 1 39 TYR HA 1 40 HIS H 2.500 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 1 249 1 39 TYR QB 1 40 HIS H 3.000 . 4.300 2.300 2.300 2.300 . 0 0 "[ ]" 1 250 1 39 TYR HD2 1 40 HIS H 4.000 . 4.300 2.918 2.918 2.918 . 0 0 "[ ]" 1 251 1 40 HIS H 1 40 HIS QB 3.000 . 4.300 2.424 2.424 2.424 . 0 0 "[ ]" 1 252 1 40 HIS H 1 105 ILE MG 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 1 253 1 21 TYR HA 1 41 ALA H 3.000 . 3.300 2.378 2.378 2.378 . 0 0 "[ ]" 1 254 1 22 ILE H 1 41 ALA H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1 255 1 40 HIS HA 1 41 ALA H 3.000 . 3.300 2.385 2.385 2.385 . 0 0 "[ ]" 1 256 1 41 ALA H 1 41 ALA MB 2.500 . 3.800 2.181 2.181 2.181 . 0 0 "[ ]" 1 257 1 41 ALA H 1 42 ASN H 2.500 . 2.800 2.617 2.617 2.617 . 0 0 "[ ]" 1 258 1 20 LEU QB 1 42 ASN H 2.500 . 3.800 2.335 2.335 2.335 . 0 0 "[ ]" 1 259 1 40 HIS HA 1 42 ASN H 4.000 . 4.300 3.414 3.414 3.414 . 0 0 "[ ]" 1 260 1 41 ALA MB 1 42 ASN H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 1 261 1 17 VAL HA 1 43 PHE H 4.000 . 4.300 3.999 3.999 3.999 . 0 0 "[ ]" 1 262 1 17 VAL MG2 1 43 PHE H 2.500 . 3.800 2.113 2.113 2.113 . 0 0 "[ ]" 1 263 1 17 VAL MG1 1 43 PHE H 4.000 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1 264 1 20 LEU MD2 1 43 PHE H 4.000 . 5.300 4.276 4.276 4.276 . 0 0 "[ ]" 1 265 1 42 ASN HA 1 43 PHE H 3.000 . 3.300 2.569 2.569 2.569 . 0 0 "[ ]" 1 266 1 42 ASN QB 1 43 PHE H 2.500 . 3.800 2.232 2.232 2.232 . 0 0 "[ ]" 1 267 1 43 PHE H 1 43 PHE HD1 3.000 . 3.300 2.080 2.080 2.080 . 0 0 "[ ]" 1 268 1 43 PHE H 1 106 VAL HB 4.000 . 4.300 3.954 3.954 3.954 . 0 0 "[ ]" 1 269 1 43 PHE H 1 106 VAL MG2 4.000 . 5.300 3.947 3.947 3.947 . 0 0 "[ ]" 1 270 1 20 LEU QB 1 43 PHE H 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1 271 1 43 PHE HA 1 44 CYS H 3.000 . 3.300 2.746 2.746 2.746 . 0 0 "[ ]" 1 272 1 43 PHE QB 1 44 CYS H 2.500 . 3.800 2.126 2.126 2.126 . 0 0 "[ ]" 1 273 1 43 PHE HD2 1 44 CYS H 4.000 . 4.300 3.170 3.170 3.170 . 0 0 "[ ]" 1 274 1 44 CYS H 1 44 CYS HB2 3.000 . 3.300 3.061 3.061 3.061 . 0 0 "[ ]" 1 275 1 44 CYS H 1 44 CYS HB3 4.000 . 4.300 3.892 3.892 3.892 . 0 0 "[ ]" 1 276 1 18 ARG HE 1 45 LEU H 4.000 . 4.300 3.853 3.853 3.853 . 0 0 "[ ]" 1 277 1 18 ARG QG 1 45 LEU H 4.000 . 5.300 4.342 4.342 4.342 . 0 0 "[ ]" 1 278 1 44 CYS HA 1 45 LEU H 2.500 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1 279 1 44 CYS HB3 1 45 LEU H 4.000 . 4.300 3.107 3.107 3.107 . 0 0 "[ ]" 1 280 1 45 LEU H 1 45 LEU MD1 4.000 . 5.300 4.459 4.459 4.459 . 0 0 "[ ]" 1 281 1 45 LEU H 1 45 LEU MD2 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 1 282 1 45 LEU H 1 45 LEU HB3 4.000 . 4.300 3.826 3.826 3.826 . 0 0 "[ ]" 1 283 1 45 LEU H 1 45 LEU HB2 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 1 284 1 45 LEU HA 1 46 GLY H 3.000 . 3.300 2.313 2.313 2.313 . 0 0 "[ ]" 1 285 1 45 LEU HB3 1 46 GLY H 2.500 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1 286 1 45 LEU HB2 1 46 GLY H 4.000 . 4.300 4.010 4.010 4.010 . 0 0 "[ ]" 1 287 1 47 PRO HA 1 48 CYS H 2.500 . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1 288 1 47 PRO QB 1 48 CYS H 2.500 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 1 289 1 47 PRO QG 1 48 CYS H 4.000 . 5.300 3.668 3.668 3.668 . 0 0 "[ ]" 1 290 1 48 CYS H 1 48 CYS QB 2.500 . 3.800 3.301 3.301 3.301 . 0 0 "[ ]" 1 291 1 49 PRO HA 1 50 TYR H 3.000 . 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 1 292 1 49 PRO QB 1 50 TYR H 3.000 . 4.300 1.810 1.810 1.810 . 0 0 "[ ]" 1 293 1 50 TYR H 1 50 TYR QB 3.000 . 4.300 2.919 2.919 2.919 . 0 0 "[ ]" 1 294 1 50 TYR H 1 50 TYR HD1 3.000 . 3.300 3.262 3.262 3.262 . 0 0 "[ ]" 1 295 1 49 PRO QG 1 52 TRP H 3.000 . 4.300 3.135 3.135 3.135 . 0 0 "[ ]" 1 296 1 51 ILE HA 1 52 TRP H 4.000 . 4.300 3.125 3.125 3.125 . 0 0 "[ ]" 1 297 1 51 ILE HB 1 52 TRP H 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 1 298 1 51 ILE HG13 1 52 TRP H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1 299 1 51 ILE MG 1 52 TRP H 4.000 . 5.300 4.361 4.361 4.361 . 0 0 "[ ]" 1 300 1 52 TRP H 1 52 TRP HA 3.000 . 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 1 301 1 52 TRP H 1 52 TRP QB 2.500 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 1 302 1 53 SER HA 1 54 LEU H 2.500 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 1 303 1 54 LEU H 1 54 LEU HB3 4.000 . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 1 304 1 54 LEU H 1 54 LEU HB2 2.500 . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1 305 1 54 LEU H 1 54 LEU HG 2.500 . 2.800 2.167 2.167 2.167 . 0 0 "[ ]" 1 306 1 54 LEU H 1 54 LEU MD1 4.000 . 5.300 3.232 3.232 3.232 . 0 0 "[ ]" 1 307 1 54 LEU HA 1 55 ASP H 2.500 . 2.800 2.208 2.208 2.208 . 0 0 "[ ]" 1 308 1 54 LEU HB3 1 55 ASP H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1 309 1 54 LEU HB2 1 55 ASP H 4.000 . 4.300 4.159 4.159 4.159 . 0 0 "[ ]" 1 310 1 54 LEU MD2 1 55 ASP H 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1 311 1 55 ASP H 1 55 ASP QB 2.500 . 3.800 2.319 2.319 2.319 . 0 0 "[ ]" 1 312 1 55 ASP H 1 56 THR MG 4.000 . 5.300 4.149 4.149 4.149 . 0 0 "[ ]" 1 313 1 55 ASP H 1 56 THR H 3.000 . 3.300 2.707 2.707 2.707 . 0 0 "[ ]" 1 314 1 55 ASP H 1 59 SER QB 3.000 . 4.300 2.724 2.724 2.724 . 0 0 "[ ]" 1 315 1 55 ASP H 1 111 CYS HB2 4.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1 316 1 55 ASP H 1 111 CYS HB3 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1 317 1 55 ASP QB 1 56 THR H 2.500 . 3.800 1.992 1.992 1.992 . 0 0 "[ ]" 1 318 1 56 THR H 1 56 THR MG 2.500 . 3.800 2.067 2.067 2.067 . 0 0 "[ ]" 1 319 1 56 THR H 1 59 SER QB 3.000 . 4.300 3.148 3.148 3.148 . 0 0 "[ ]" 1 320 1 56 THR H 1 59 SER H 4.000 . 4.300 3.881 3.881 3.881 . 0 0 "[ ]" 1 321 1 56 THR HA 1 57 GLN H 3.000 . 3.300 2.473 2.473 2.473 . 0 0 "[ ]" 1 322 1 56 THR HB 1 57 GLN H 3.000 . 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 1 323 1 56 THR MG 1 57 GLN H 4.000 . 5.300 4.047 4.047 4.047 . 0 0 "[ ]" 1 324 1 57 GLN H 1 57 GLN QG 4.000 . 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 1 325 1 57 GLN H 1 58 TYR H 3.000 . 3.300 2.602 2.602 2.602 . 0 0 "[ ]" 1 326 1 56 THR HB 1 58 TYR H 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1 327 1 57 GLN QB 1 58 TYR H 3.000 . 4.300 2.690 2.690 2.690 . 0 0 "[ ]" 1 328 1 58 TYR H 1 58 TYR HD2 4.000 . 4.300 4.230 4.230 4.230 . 0 0 "[ ]" 1 329 1 58 TYR H 1 59 SER H 3.000 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 1 330 1 58 TYR HA 1 59 SER H 4.000 . 4.300 3.376 3.376 3.376 . 0 0 "[ ]" 1 331 1 58 TYR QB 1 59 SER H 3.000 . 4.300 3.328 3.328 3.328 . 0 0 "[ ]" 1 332 1 58 TYR HD2 1 59 SER H 4.000 . 4.300 3.962 3.962 3.962 . 0 0 "[ ]" 1 333 1 59 SER H 1 60 LYS H 2.500 . 2.800 2.448 2.448 2.448 . 0 0 "[ ]" 1 334 1 54 LEU HB3 1 60 LYS H 4.000 . 4.300 3.360 3.360 3.360 . 0 0 "[ ]" 1 335 1 54 LEU MD1 1 60 LYS H 4.000 . 5.300 3.498 3.498 3.498 . 0 0 "[ ]" 1 336 1 54 LEU MD2 1 60 LYS H 4.000 . 5.300 3.098 3.098 3.098 . 0 0 "[ ]" 1 337 1 57 GLN HA 1 60 LYS H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 1 338 1 59 SER QB 1 60 LYS H 3.000 . 4.300 2.806 2.806 2.806 . 0 0 "[ ]" 1 339 1 60 LYS H 1 60 LYS QB 3.000 . 4.300 2.513 2.513 2.513 . 0 0 "[ ]" 1 340 1 60 LYS H 1 61 VAL MG2 4.000 . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1 341 1 60 LYS H 1 61 VAL H 2.500 . 2.800 2.336 2.336 2.336 . 0 0 "[ ]" 1 342 1 58 TYR HA 1 61 VAL H 4.000 . 4.300 3.250 3.250 3.250 . 0 0 "[ ]" 1 343 1 60 LYS HA 1 61 VAL H 4.000 . 4.300 3.533 3.533 3.533 . 0 0 "[ ]" 1 344 1 60 LYS QB 1 61 VAL H 3.000 . 4.300 3.461 3.461 3.461 . 0 0 "[ ]" 1 345 1 60 LYS QG 1 61 VAL H 2.500 . 3.800 1.845 1.845 1.845 . 0 0 "[ ]" 1 346 1 61 VAL H 1 61 VAL HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1 347 1 61 VAL H 1 61 VAL HB 2.500 . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 1 348 1 61 VAL H 1 61 VAL MG2 2.500 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1 349 1 61 VAL H 1 61 VAL MG1 3.000 . 4.300 3.703 3.703 3.703 . 0 0 "[ ]" 1 350 1 61 VAL H 1 62 LEU H 3.000 . 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 1 351 1 58 TYR HA 1 62 LEU H 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1 352 1 59 SER HA 1 62 LEU H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 1 353 1 61 VAL HA 1 62 LEU H 4.000 . 4.300 3.588 3.588 3.588 . 0 0 "[ ]" 1 354 1 61 VAL HB 1 62 LEU H 3.000 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1 355 1 61 VAL MG1 1 62 LEU H 2.500 . 3.800 2.687 2.687 2.687 . 0 0 "[ ]" 1 356 1 61 VAL MG2 1 62 LEU H 4.000 . 5.300 3.855 3.855 3.855 . 0 0 "[ ]" 1 357 1 62 LEU H 1 62 LEU QB 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1 358 1 62 LEU H 1 63 ALA H 3.000 . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1 359 1 60 LYS HA 1 63 ALA H 4.000 . 4.300 3.727 3.727 3.727 . 0 0 "[ ]" 1 360 1 62 LEU HA 1 63 ALA H 4.000 . 4.300 3.570 3.570 3.570 . 0 0 "[ ]" 1 361 1 62 LEU QB 1 63 ALA H 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1 362 1 63 ALA H 1 63 ALA MB 3.000 . 4.300 2.243 2.243 2.243 . 0 0 "[ ]" 1 363 1 63 ALA H 1 64 LEU H 3.000 . 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 1 364 1 50 TYR HD1 1 64 LEU H 4.000 . 4.300 3.456 3.456 3.456 . 0 0 "[ ]" 1 365 1 61 VAL HA 1 64 LEU H 4.000 . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 1 366 1 63 ALA HA 1 64 LEU H 4.000 . 4.300 3.531 3.531 3.531 . 0 0 "[ ]" 1 367 1 63 ALA MB 1 64 LEU H 3.000 . 4.300 2.683 2.683 2.683 . 0 0 "[ ]" 1 368 1 64 LEU H 1 64 LEU HB2 2.500 . 2.800 2.411 2.411 2.411 . 0 0 "[ ]" 1 369 1 64 LEU H 1 64 LEU HB3 4.000 . 4.300 3.641 3.641 3.641 . 0 0 "[ ]" 1 370 1 64 LEU H 1 64 LEU HG 3.000 . 3.300 2.601 2.601 2.601 . 0 0 "[ ]" 1 371 1 64 LEU H 1 64 LEU MD1 4.000 . 5.300 3.209 3.209 3.209 . 0 0 "[ ]" 1 372 1 64 LEU H 1 64 LEU MD2 4.000 . 5.300 3.988 3.988 3.988 . 0 0 "[ ]" 1 373 1 64 LEU H 1 65 TYR H 3.000 . 3.300 2.230 2.230 2.230 . 0 0 "[ ]" 1 374 1 64 LEU H 1 66 ASN H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1 375 1 62 LEU HA 1 65 TYR H 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 1 376 1 64 LEU HB2 1 65 TYR H 2.500 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1 377 1 64 LEU HB3 1 65 TYR H 4.000 . 4.300 3.787 3.787 3.787 . 0 0 "[ ]" 1 378 1 64 LEU HG 1 65 TYR H 4.000 . 4.300 4.371 4.371 4.371 0.071 1 0 "[ ]" 1 379 1 65 TYR H 1 65 TYR HB2 2.500 . 2.800 2.606 2.606 2.606 . 0 0 "[ ]" 1 380 1 65 TYR H 1 65 TYR HB3 2.500 . 2.800 2.492 2.492 2.492 . 0 0 "[ ]" 1 381 1 65 TYR H 1 66 ASN H 3.000 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 1 382 1 62 LEU HA 1 66 ASN H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1 383 1 63 ALA HA 1 66 ASN H 4.000 . 4.300 4.088 4.088 4.088 . 0 0 "[ ]" 1 384 1 65 TYR HB2 1 66 ASN H 4.000 . 4.300 4.021 4.021 4.021 . 0 0 "[ ]" 1 385 1 65 TYR HB3 1 66 ASN H 2.500 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 1 386 1 65 TYR HD2 1 66 ASN H 4.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1 387 1 66 ASN H 1 66 ASN HB2 2.500 . 2.800 2.408 2.408 2.408 . 0 0 "[ ]" 1 388 1 66 ASN H 1 66 ASN HB3 2.500 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1 389 1 66 ASN H 1 67 GLN H 3.000 . 3.300 2.342 2.342 2.342 . 0 0 "[ ]" 1 390 1 63 ALA HA 1 67 GLN H 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1 391 1 64 LEU HA 1 67 GLN H 4.000 . 4.300 3.155 3.155 3.155 . 0 0 "[ ]" 1 392 1 66 ASN HB2 1 67 GLN H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1 393 1 66 ASN HB3 1 67 GLN H 2.500 . 2.800 2.285 2.285 2.285 . 0 0 "[ ]" 1 394 1 67 GLN H 1 67 GLN HB2 2.500 . 2.800 2.191 2.191 2.191 . 0 0 "[ ]" 1 395 1 67 GLN H 1 67 GLN HB3 4.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 1 396 1 67 GLN H 1 67 GLN QG 3.000 . 4.300 2.770 2.770 2.770 . 0 0 "[ ]" 1 397 1 67 GLN H 1 68 HIS H 3.000 . 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 1 398 1 66 ASN HB3 1 68 HIS H 4.000 . 4.300 4.419 4.419 4.419 0.119 1 0 "[ ]" 1 399 1 67 GLN HA 1 68 HIS H 3.000 . 3.300 3.388 3.388 3.388 0.088 1 0 "[ ]" 1 400 1 67 GLN HB3 1 68 HIS H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 1 401 1 67 GLN HB2 1 68 HIS H 3.000 . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 1 402 1 67 GLN QG 1 68 HIS H 4.000 . 5.300 4.503 4.503 4.503 . 0 0 "[ ]" 1 403 1 68 HIS H 1 68 HIS HB2 2.500 . 2.800 2.282 2.282 2.282 . 0 0 "[ ]" 1 404 1 68 HIS H 1 68 HIS HB3 4.000 . 4.300 3.542 3.542 3.542 . 0 0 "[ ]" 1 405 1 68 HIS H 1 69 ASN H 3.000 . 3.300 2.223 2.223 2.223 . 0 0 "[ ]" 1 406 1 66 ASN HA 1 69 ASN H 3.000 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 1 407 1 68 HIS HA 1 69 ASN H 4.000 . 4.300 3.551 3.551 3.551 . 0 0 "[ ]" 1 408 1 68 HIS HB2 1 69 ASN H 3.000 . 3.300 2.823 2.823 2.823 . 0 0 "[ ]" 1 409 1 68 HIS HB3 1 69 ASN H 3.000 . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1 410 1 69 ASN H 1 69 ASN HA 3.000 . 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 1 411 1 69 ASN H 1 69 ASN HB2 3.000 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 1 412 1 69 ASN H 1 69 ASN HB3 4.000 . 4.300 3.648 3.648 3.648 . 0 0 "[ ]" 1 413 1 69 ASN H 1 70 PRO QD 4.000 . 5.300 4.002 4.002 4.002 . 0 0 "[ ]" 1 414 1 70 PRO HA 1 71 GLY H 2.500 . 2.800 2.258 2.258 2.258 . 0 0 "[ ]" 1 415 1 70 PRO QB 1 71 GLY H 4.000 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 1 416 1 71 GLY H 1 71 GLY HA2 2.500 . 2.800 2.526 2.526 2.526 . 0 0 "[ ]" 1 417 1 71 GLY H 1 71 GLY HA3 3.000 . 3.300 2.994 2.994 2.994 . 0 0 "[ ]" 1 418 1 71 GLY H 1 72 ALA H 2.500 . 2.800 1.870 1.870 1.870 . 0 0 "[ ]" 1 419 1 69 ASN HB3 1 72 ALA H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 1 420 1 69 ASN HB2 1 72 ALA H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 1 421 1 71 GLY HA3 1 72 ALA H 4.000 . 4.300 3.427 3.427 3.427 . 0 0 "[ ]" 1 422 1 71 GLY HA2 1 72 ALA H 4.000 . 4.300 3.129 3.129 3.129 . 0 0 "[ ]" 1 423 1 72 ALA H 1 72 ALA HA 3.000 . 3.300 2.987 2.987 2.987 . 0 0 "[ ]" 1 424 1 72 ALA H 1 72 ALA MB 2.500 . 3.800 2.318 2.318 2.318 . 0 0 "[ ]" 1 425 1 72 ALA H 1 73 SER H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 1 426 1 72 ALA HA 1 73 SER H 2.500 . 2.800 2.170 2.170 2.170 . 0 0 "[ ]" 1 427 1 72 ALA MB 1 73 SER H 2.500 . 3.800 3.210 3.210 3.210 . 0 0 "[ ]" 1 428 1 73 SER H 1 73 SER HA 3.000 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 1 429 1 73 SER H 1 74 ALA MB 4.000 . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1 430 1 73 SER H 1 74 ALA H 3.000 . 3.300 2.752 2.752 2.752 . 0 0 "[ ]" 1 431 1 72 ALA MB 1 74 ALA H 3.000 . 4.300 2.602 2.602 2.602 . 0 0 "[ ]" 1 432 1 73 SER QB 1 74 ALA H 4.000 . 5.300 3.756 3.756 3.756 . 0 0 "[ ]" 1 433 1 74 ALA H 1 74 ALA MB 3.000 . 4.300 2.278 2.278 2.278 . 0 0 "[ ]" 1 434 1 74 ALA H 1 75 ALA H 4.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 1 435 1 62 LEU MD1 1 75 ALA H 4.000 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 1 436 1 74 ALA HA 1 75 ALA H 3.000 . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 1 437 1 74 ALA MB 1 75 ALA H 3.000 . 4.300 3.521 3.521 3.521 . 0 0 "[ ]" 1 438 1 75 ALA H 1 75 ALA MB 3.000 . 4.300 2.060 2.060 2.060 . 0 0 "[ ]" 1 439 1 76 PRO HA 1 77 CYS H 2.500 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1 440 1 76 PRO QG 1 77 CYS H 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 1 441 1 76 PRO QB 1 77 CYS H 3.000 . 4.300 1.911 1.911 1.911 . 0 0 "[ ]" 1 442 1 77 CYS H 1 112 SER H 4.000 . 4.300 3.918 3.918 3.918 . 0 0 "[ ]" 1 443 1 76 PRO QG 1 78 CYS H 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1 444 1 77 CYS HA 1 78 CYS H 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1 445 1 77 CYS QB 1 78 CYS H 4.000 . 5.300 3.876 3.876 3.876 . 0 0 "[ ]" 1 446 1 78 CYS H 1 78 CYS HB2 2.500 . 2.800 2.451 2.451 2.451 . 0 0 "[ ]" 1 447 1 78 CYS H 1 78 CYS HB3 2.500 . 2.800 2.642 2.642 2.642 . 0 0 "[ ]" 1 448 1 78 CYS HA 1 79 VAL H 2.500 . 2.800 2.286 2.286 2.286 . 0 0 "[ ]" 1 449 1 78 CYS HB2 1 79 VAL H 4.000 . 4.300 4.271 4.271 4.271 . 0 0 "[ ]" 1 450 1 78 CYS HB3 1 79 VAL H 4.000 . 4.300 4.065 4.065 4.065 . 0 0 "[ ]" 1 451 1 79 VAL H 1 79 VAL HA 2.500 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 1 452 1 79 VAL H 1 79 VAL MG2 2.500 . 3.800 2.428 2.428 2.428 . 0 0 "[ ]" 1 453 1 79 VAL H 1 79 VAL MG1 3.000 . 4.300 2.648 2.648 2.648 . 0 0 "[ ]" 1 454 1 79 VAL H 1 110 LYS H 3.000 . 3.300 2.158 2.158 2.158 . 0 0 "[ ]" 1 455 1 79 VAL H 1 111 CYS HA 3.000 . 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 1 456 1 80 PRO HA 1 81 GLN H 3.000 . 3.300 2.309 2.309 2.309 . 0 0 "[ ]" 1 457 1 80 PRO QB 1 81 GLN H 4.000 . 5.300 3.790 3.790 3.790 . 0 0 "[ ]" 1 458 1 81 GLN H 1 81 GLN HB2 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1 459 1 81 GLN H 1 81 GLN HB3 3.000 . 3.300 2.372 2.372 2.372 . 0 0 "[ ]" 1 460 1 81 GLN H 1 81 GLN QG 3.000 . 4.300 3.930 3.930 3.930 . 0 0 "[ ]" 1 461 1 81 GLN H 1 82 ALA H 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1 462 1 81 GLN H 1 106 VAL MG1 4.000 . 5.300 4.249 4.249 4.249 . 0 0 "[ ]" 1 463 1 81 GLN H 1 109 CYS HA 3.000 . 3.300 2.016 2.016 2.016 . 0 0 "[ ]" 1 464 1 81 GLN HA 1 82 ALA H 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 1 465 1 81 GLN HB2 1 82 ALA H 4.000 . 4.300 3.620 3.620 3.620 . 0 0 "[ ]" 1 466 1 81 GLN HB3 1 82 ALA H 2.500 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1 467 1 81 GLN QG 1 82 ALA H 3.000 . 4.300 2.544 2.544 2.544 . 0 0 "[ ]" 1 468 1 82 ALA H 1 82 ALA HA 3.000 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 1 469 1 82 ALA H 1 82 ALA MB 2.500 . 3.800 2.180 2.180 2.180 . 0 0 "[ ]" 1 470 1 82 ALA H 1 107 ARG H 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1 471 1 82 ALA H 1 108 SER H 4.000 . 4.300 4.120 4.120 4.120 . 0 0 "[ ]" 1 472 1 82 ALA H 1 108 SER QB 4.000 . 5.300 3.343 3.343 3.343 . 0 0 "[ ]" 1 473 1 82 ALA HA 1 83 LEU H 2.500 . 2.800 2.261 2.261 2.261 . 0 0 "[ ]" 1 474 1 82 ALA MB 1 83 LEU H 3.000 . 4.300 3.010 3.010 3.010 . 0 0 "[ ]" 1 475 1 83 LEU H 1 83 LEU HB3 4.000 . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 1 476 1 83 LEU H 1 83 LEU HB2 3.000 . 3.300 2.606 2.606 2.606 . 0 0 "[ ]" 1 477 1 83 LEU H 1 83 LEU HG 3.000 . 3.300 3.030 3.030 3.030 . 0 0 "[ ]" 1 478 1 83 LEU H 1 83 LEU MD2 4.000 . 5.300 4.232 4.232 4.232 . 0 0 "[ ]" 1 479 1 83 LEU H 1 83 LEU MD1 4.000 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1 480 1 83 LEU H 1 84 GLU H 4.000 . 4.300 4.345 4.345 4.345 0.045 1 0 "[ ]" 1 481 1 83 LEU HA 1 84 GLU H 2.500 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1 482 1 83 LEU HB3 1 84 GLU H 2.500 . 2.800 1.857 1.857 1.857 . 0 0 "[ ]" 1 483 1 83 LEU HB2 1 84 GLU H 4.000 . 4.300 3.071 3.071 3.071 . 0 0 "[ ]" 1 484 1 83 LEU HG 1 84 GLU H 4.000 . 4.300 4.393 4.393 4.393 0.093 1 0 "[ ]" 1 485 1 83 LEU MD2 1 84 GLU H 4.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 1 486 1 83 LEU MD1 1 84 GLU H 4.000 . 5.300 4.185 4.185 4.185 . 0 0 "[ ]" 1 487 1 84 GLU H 1 84 GLU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1 488 1 84 GLU H 1 84 GLU HB3 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 1 489 1 84 GLU H 1 103 ASN HA 3.000 . 3.300 2.687 2.687 2.687 . 0 0 "[ ]" 1 490 1 84 GLU H 1 104 MET H 4.000 . 4.300 3.864 3.864 3.864 . 0 0 "[ ]" 1 491 1 84 GLU H 1 105 ILE H 3.000 . 3.300 2.379 2.379 2.379 . 0 0 "[ ]" 1 492 1 84 GLU H 1 105 ILE HB 3.000 . 3.300 2.742 2.742 2.742 . 0 0 "[ ]" 1 493 1 84 GLU H 1 105 ILE MG 4.000 . 5.300 3.785 3.785 3.785 . 0 0 "[ ]" 1 494 1 84 GLU H 1 106 VAL HA 4.000 . 4.300 3.875 3.875 3.875 . 0 0 "[ ]" 1 495 1 85 PRO HA 1 86 LEU H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 1 496 1 85 PRO QB 1 86 LEU H 2.500 . 3.800 1.945 1.945 1.945 . 0 0 "[ ]" 1 497 1 85 PRO QG 1 86 LEU H 4.000 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 1 498 1 86 LEU H 1 86 LEU QB 2.500 . 3.800 2.789 2.789 2.789 . 0 0 "[ ]" 1 499 1 86 LEU H 1 100 GLN HA 4.000 . 4.300 3.186 3.186 3.186 . 0 0 "[ ]" 1 500 1 86 LEU H 1 100 GLN HB3 4.000 . 4.300 3.089 3.089 3.089 . 0 0 "[ ]" 1 501 1 86 LEU H 1 100 GLN HB2 4.000 . 4.300 4.317 4.317 4.317 0.017 1 0 "[ ]" 1 502 1 86 LEU H 1 100 GLN QG 4.000 . 5.300 4.616 4.616 4.616 . 0 0 "[ ]" 1 503 1 86 LEU H 1 101 LEU H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1 504 1 86 LEU H 1 101 LEU HB2 4.000 . 4.300 3.496 3.496 3.496 . 0 0 "[ ]" 1 505 1 86 LEU H 1 102 SER HA 4.000 . 4.300 4.090 4.090 4.090 . 0 0 "[ ]" 1 506 1 87 PRO HA 1 88 ILE H 2.500 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 1 507 1 87 PRO QB 1 88 ILE H 3.000 . 4.300 3.656 3.656 3.656 . 0 0 "[ ]" 1 508 1 88 ILE H 1 88 ILE HG12 2.500 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1 509 1 88 ILE H 1 88 ILE HG13 4.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1 510 1 88 ILE H 1 88 ILE MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 1 511 1 88 ILE H 1 88 ILE MD 4.000 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1 512 1 88 ILE H 1 89 VAL MG2 4.000 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 1 513 1 88 ILE H 1 99 GLU H 4.000 . 4.300 2.984 2.984 2.984 . 0 0 "[ ]" 1 514 1 88 ILE H 1 100 GLN HA 4.000 . 4.300 3.029 3.029 3.029 . 0 0 "[ ]" 1 515 1 33 ILE MG 1 89 VAL H 4.000 . 5.300 2.932 2.932 2.932 . 0 0 "[ ]" 1 516 1 88 ILE HA 1 89 VAL H 3.000 . 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1 517 1 88 ILE HB 1 89 VAL H 3.000 . 3.300 1.946 1.946 1.946 . 0 0 "[ ]" 1 518 1 88 ILE HG13 1 89 VAL H 2.500 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 1 519 1 88 ILE HG12 1 89 VAL H 3.000 . 3.300 3.414 3.414 3.414 0.114 1 0 "[ ]" 1 520 1 88 ILE MG 1 89 VAL H 4.000 . 5.300 3.592 3.592 3.592 . 0 0 "[ ]" 1 521 1 88 ILE MD 1 89 VAL H 3.000 . 4.300 3.353 3.353 3.353 . 0 0 "[ ]" 1 522 1 89 VAL H 1 89 VAL HB 3.000 . 3.300 3.140 3.140 3.140 . 0 0 "[ ]" 1 523 1 89 VAL H 1 89 VAL MG1 4.000 . 5.300 4.028 4.028 4.028 . 0 0 "[ ]" 1 524 1 89 VAL H 1 89 VAL MG2 2.500 . 3.800 3.004 3.004 3.004 . 0 0 "[ ]" 1 525 1 89 VAL HA 1 90 TYR H 2.500 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 1 526 1 89 VAL HB 1 90 TYR H 4.000 . 4.300 4.268 4.268 4.268 . 0 0 "[ ]" 1 527 1 89 VAL MG1 1 90 TYR H 2.500 . 3.800 2.921 2.921 2.921 . 0 0 "[ ]" 1 528 1 89 VAL MG2 1 90 TYR H 4.000 . 5.300 4.319 4.319 4.319 . 0 0 "[ ]" 1 529 1 90 TYR H 1 90 TYR HA 3.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 1 530 1 90 TYR H 1 90 TYR HB2 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 1 531 1 90 TYR H 1 90 TYR HB3 3.000 . 3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1 532 1 90 TYR H 1 90 TYR HD1 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1 533 1 90 TYR H 1 97 LYS H 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 1 534 1 90 TYR H 1 97 LYS QB 4.000 . 5.300 4.011 4.011 4.011 . 0 0 "[ ]" 1 535 1 90 TYR HA 1 91 TYR H 2.500 . 2.800 2.701 2.701 2.701 . 0 0 "[ ]" 1 536 1 90 TYR HB2 1 91 TYR H 2.500 . 2.800 1.935 1.935 1.935 . 0 0 "[ ]" 1 537 1 90 TYR HB3 1 91 TYR H 3.000 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 1 538 1 90 TYR HD2 1 91 TYR H 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 1 539 1 91 TYR H 1 91 TYR HB3 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 1 540 1 91 TYR H 1 91 TYR HB2 2.500 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1 541 1 91 TYR H 1 91 TYR HD1 3.000 . 3.300 3.402 3.402 3.402 0.102 1 0 "[ ]" 1 542 1 91 TYR H 1 92 VAL H 4.000 . 4.300 4.391 4.391 4.391 0.091 1 0 "[ ]" 1 543 1 91 TYR HA 1 92 VAL H 2.500 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 1 544 1 91 TYR QB 1 92 VAL H 3.000 . 4.300 3.132 3.132 3.132 . 0 0 "[ ]" 1 545 1 91 TYR HD2 1 92 VAL H 4.000 . 4.300 3.453 3.453 3.453 . 0 0 "[ ]" 1 546 1 92 VAL H 1 92 VAL HB 3.000 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 1 547 1 92 VAL H 1 92 VAL MG2 2.500 . 3.800 2.125 2.125 2.125 . 0 0 "[ ]" 1 548 1 92 VAL H 1 92 VAL MG1 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1 549 1 92 VAL H 1 93 GLY H 4.000 . 4.300 3.911 3.911 3.911 . 0 0 "[ ]" 1 550 1 92 VAL H 1 94 ARG H 4.000 . 4.300 4.284 4.284 4.284 . 0 0 "[ ]" 1 551 1 92 VAL H 1 95 LYS QB 3.000 . 4.300 3.933 3.933 3.933 . 0 0 "[ ]" 1 552 1 92 VAL H 1 95 LYS H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1 553 1 92 VAL H 1 96 PRO HA 4.000 . 4.300 3.452 3.452 3.452 . 0 0 "[ ]" 1 554 1 92 VAL H 1 97 LYS QG 4.000 . 5.300 3.587 3.587 3.587 . 0 0 "[ ]" 1 555 1 91 TYR HB3 1 93 GLY H 4.000 . 4.300 3.946 3.946 3.946 . 0 0 "[ ]" 1 556 1 92 VAL HA 1 93 GLY H 2.500 . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 1 557 1 92 VAL HB 1 93 GLY H 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 1 558 1 92 VAL MG1 1 93 GLY H 3.000 . 4.300 3.450 3.450 3.450 . 0 0 "[ ]" 1 559 1 93 GLY H 1 93 GLY HA2 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1 560 1 93 GLY H 1 93 GLY HA3 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 1 561 1 93 GLY HA3 1 94 ARG H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1 562 1 93 GLY HA2 1 94 ARG H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 1 563 1 94 ARG H 1 94 ARG HB3 4.000 . 4.300 3.894 3.894 3.894 . 0 0 "[ ]" 1 564 1 94 ARG H 1 94 ARG HB2 2.500 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1 565 1 94 ARG H 1 94 ARG QG 2.500 . 3.800 2.965 2.965 2.965 . 0 0 "[ ]" 1 566 1 94 ARG H 1 94 ARG QD 4.000 . 5.300 4.709 4.709 4.709 . 0 0 "[ ]" 1 567 1 94 ARG H 1 95 LYS H 2.500 . 2.800 1.779 1.779 1.779 0.021 1 0 "[ ]" 1 568 1 91 TYR HD2 1 95 LYS H 4.000 . 4.300 3.834 3.834 3.834 . 0 0 "[ ]" 1 569 1 92 VAL MG2 1 95 LYS H 4.000 . 5.300 4.310 4.310 4.310 . 0 0 "[ ]" 1 570 1 94 ARG HA 1 95 LYS H 3.000 . 3.300 3.342 3.342 3.342 0.042 1 0 "[ ]" 1 571 1 94 ARG HB2 1 95 LYS H 3.000 . 3.300 3.422 3.422 3.422 0.122 1 0 "[ ]" 1 572 1 94 ARG HB3 1 95 LYS H 4.000 . 4.300 4.290 4.290 4.290 . 0 0 "[ ]" 1 573 1 94 ARG QG 1 95 LYS H 4.000 . 5.300 4.189 4.189 4.189 . 0 0 "[ ]" 1 574 1 95 LYS H 1 95 LYS HA 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1 575 1 95 LYS H 1 95 LYS QB 2.500 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1 576 1 95 LYS H 1 95 LYS QG 3.000 . 4.300 3.525 3.525 3.525 . 0 0 "[ ]" 1 577 1 89 VAL MG1 1 97 LYS H 3.000 . 4.300 3.284 3.284 3.284 . 0 0 "[ ]" 1 578 1 91 TYR HA 1 97 LYS H 4.000 . 4.300 3.231 3.231 3.231 . 0 0 "[ ]" 1 579 1 96 PRO HA 1 97 LYS H 2.500 . 2.800 2.276 2.276 2.276 . 0 0 "[ ]" 1 580 1 96 PRO QB 1 97 LYS H 3.000 . 4.300 3.207 3.207 3.207 . 0 0 "[ ]" 1 581 1 96 PRO QG 1 97 LYS H 4.000 . 5.300 4.729 4.729 4.729 . 0 0 "[ ]" 1 582 1 89 VAL MG1 1 98 VAL H 4.000 . 5.300 3.840 3.840 3.840 . 0 0 "[ ]" 1 583 1 97 LYS HA 1 98 VAL H 2.500 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 1 584 1 97 LYS QB 1 98 VAL H 3.000 . 4.300 3.244 3.244 3.244 . 0 0 "[ ]" 1 585 1 97 LYS QG 1 98 VAL H 4.000 . 5.300 4.399 4.399 4.399 . 0 0 "[ ]" 1 586 1 97 LYS QD 1 98 VAL H 4.000 . 5.300 4.693 4.693 4.693 . 0 0 "[ ]" 1 587 1 98 VAL H 1 98 VAL HA 3.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1 588 1 98 VAL H 1 98 VAL HB 2.500 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 1 589 1 98 VAL H 1 98 VAL QG 2.500 . 4.500 2.564 2.564 2.564 . 0 0 "[ ]" 1 590 1 88 ILE HG12 1 99 GLU H 3.000 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1 591 1 88 ILE HG13 1 99 GLU H 3.000 . 3.300 3.185 3.185 3.185 . 0 0 "[ ]" 1 592 1 88 ILE MG 1 99 GLU H 4.000 . 5.300 4.382 4.382 4.382 . 0 0 "[ ]" 1 593 1 89 VAL HA 1 99 GLU H 4.000 . 4.300 3.268 3.268 3.268 . 0 0 "[ ]" 1 594 1 98 VAL HA 1 99 GLU H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1 595 1 98 VAL HB 1 99 GLU H 4.000 . 4.300 4.128 4.128 4.128 . 0 0 "[ ]" 1 596 1 98 VAL QG 1 99 GLU H 2.500 . 4.500 2.189 2.189 2.189 . 0 0 "[ ]" 1 597 1 99 GLU H 1 99 GLU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 1 598 1 99 GLU H 1 99 GLU HB2 3.000 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 1 599 1 99 GLU H 1 99 GLU HB3 3.000 . 3.300 3.336 3.336 3.336 0.036 1 0 "[ ]" 1 600 1 99 GLU H 1 99 GLU QG 4.000 . 5.300 3.961 3.961 3.961 . 0 0 "[ ]" 1 601 1 99 GLU HA 1 100 GLN H 3.000 . 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 1 602 1 99 GLU HB2 1 100 GLN H 3.000 . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 1 603 1 99 GLU HB3 1 100 GLN H 2.500 . 2.800 1.866 1.866 1.866 . 0 0 "[ ]" 1 604 1 99 GLU QG 1 100 GLN H 3.000 . 4.300 2.698 2.698 2.698 . 0 0 "[ ]" 1 605 1 100 GLN H 1 100 GLN HB2 2.500 . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 1 606 1 100 GLN H 1 100 GLN HB3 4.000 . 4.300 3.935 3.935 3.935 . 0 0 "[ ]" 1 607 1 100 GLN H 1 100 GLN QG 3.000 . 4.300 2.880 2.880 2.880 . 0 0 "[ ]" 1 608 1 100 GLN H 1 101 LEU MD2 4.000 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1 609 1 87 PRO HA 1 101 LEU H 4.000 . 4.300 4.041 4.041 4.041 . 0 0 "[ ]" 1 610 1 88 ILE MG 1 101 LEU H 3.000 . 4.300 2.843 2.843 2.843 . 0 0 "[ ]" 1 611 1 100 GLN HA 1 101 LEU H 2.500 . 2.800 2.370 2.370 2.370 . 0 0 "[ ]" 1 612 1 100 GLN HB2 1 101 LEU H 4.000 . 4.300 4.402 4.402 4.402 0.102 1 0 "[ ]" 1 613 1 100 GLN HB3 1 101 LEU H 4.000 . 4.300 4.181 4.181 4.181 . 0 0 "[ ]" 1 614 1 100 GLN QG 1 101 LEU H 4.000 . 5.300 4.476 4.476 4.476 . 0 0 "[ ]" 1 615 1 101 LEU H 1 101 LEU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 1 616 1 101 LEU H 1 101 LEU HB3 4.000 . 4.300 3.630 3.630 3.630 . 0 0 "[ ]" 1 617 1 101 LEU H 1 101 LEU HG 2.500 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 1 618 1 101 LEU H 1 101 LEU MD1 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 1 619 1 101 LEU H 1 101 LEU MD2 3.000 . 4.300 2.304 2.304 2.304 . 0 0 "[ ]" 1 620 1 101 LEU HA 1 102 SER H 2.500 . 2.800 2.241 2.241 2.241 . 0 0 "[ ]" 1 621 1 101 LEU HB3 1 102 SER H 2.500 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 1 622 1 101 LEU HB2 1 102 SER H 4.000 . 4.300 3.852 3.852 3.852 . 0 0 "[ ]" 1 623 1 101 LEU MD2 1 102 SER H 3.000 . 4.300 3.564 3.564 3.564 . 0 0 "[ ]" 1 624 1 102 SER H 1 102 SER HA 3.000 . 3.300 2.983 2.983 2.983 . 0 0 "[ ]" 1 625 1 102 SER H 1 102 SER QB 2.500 . 3.800 2.500 2.500 2.500 . 0 0 "[ ]" 1 626 1 85 PRO HA 1 103 ASN H 3.000 . 3.300 2.612 2.612 2.612 . 0 0 "[ ]" 1 627 1 85 PRO QB 1 103 ASN H 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 1 628 1 85 PRO QG 1 103 ASN H 4.000 . 5.300 4.790 4.790 4.790 . 0 0 "[ ]" 1 629 1 102 SER HA 1 103 ASN H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1 630 1 102 SER QB 1 103 ASN H 3.000 . 4.300 2.952 2.952 2.952 . 0 0 "[ ]" 1 631 1 103 ASN H 1 103 ASN HA 3.000 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1 632 1 103 ASN H 1 103 ASN HB2 4.000 . 4.300 3.435 3.435 3.435 . 0 0 "[ ]" 1 633 1 103 ASN H 1 103 ASN HB3 4.000 . 4.300 4.111 4.111 4.111 . 0 0 "[ ]" 1 634 1 103 ASN H 1 104 MET H 3.000 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 1 635 1 85 PRO HA 1 104 MET H 3.000 . 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 1 636 1 103 ASN HA 1 104 MET H 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1 637 1 103 ASN HB2 1 104 MET H 4.000 . 4.300 4.055 4.055 4.055 . 0 0 "[ ]" 1 638 1 103 ASN HB3 1 104 MET H 4.000 . 4.300 4.376 4.376 4.376 0.076 1 0 "[ ]" 1 639 1 104 MET H 1 105 ILE H 3.000 . 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 1 640 1 83 LEU HA 1 105 ILE H 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 1 641 1 83 LEU HB2 1 105 ILE H 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 1 642 1 83 LEU MD2 1 105 ILE H 4.000 . 5.300 2.859 2.859 2.859 . 0 0 "[ ]" 1 643 1 103 ASN HA 1 105 ILE H 4.000 . 4.300 3.026 3.026 3.026 . 0 0 "[ ]" 1 644 1 104 MET HA 1 105 ILE H 4.000 . 4.300 3.057 3.057 3.057 . 0 0 "[ ]" 1 645 1 104 MET QB 1 105 ILE H 4.000 . 5.300 3.681 3.681 3.681 . 0 0 "[ ]" 1 646 1 105 ILE H 1 105 ILE HB 3.000 . 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 1 647 1 105 ILE H 1 105 ILE MG 4.000 . 5.300 3.952 3.952 3.952 . 0 0 "[ ]" 1 648 1 105 ILE H 1 105 ILE MD 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1 649 1 41 ALA HA 1 106 VAL H 4.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 1 650 1 42 ASN QB 1 106 VAL H 3.000 . 4.300 2.818 2.818 2.818 . 0 0 "[ ]" 1 651 1 83 LEU MD2 1 106 VAL H 4.000 . 5.300 3.888 3.888 3.888 . 0 0 "[ ]" 1 652 1 105 ILE HA 1 106 VAL H 3.000 . 3.300 2.474 2.474 2.474 . 0 0 "[ ]" 1 653 1 105 ILE HB 1 106 VAL H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 1 654 1 105 ILE MG 1 106 VAL H 2.500 . 3.800 1.781 1.781 1.781 0.019 1 0 "[ ]" 1 655 1 105 ILE MD 1 106 VAL H 4.000 . 5.300 4.379 4.379 4.379 . 0 0 "[ ]" 1 656 1 106 VAL H 1 106 VAL HB 3.000 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 1 657 1 106 VAL H 1 106 VAL MG1 3.000 . 4.300 3.702 3.702 3.702 . 0 0 "[ ]" 1 658 1 106 VAL H 1 106 VAL MG2 2.500 . 3.800 2.985 2.985 2.985 . 0 0 "[ ]" 1 659 1 82 ALA MB 1 107 ARG H 4.000 . 5.300 3.537 3.537 3.537 . 0 0 "[ ]" 1 660 1 83 LEU HA 1 107 ARG H 3.000 . 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 1 661 1 83 LEU MD2 1 107 ARG H 4.000 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1 662 1 106 VAL HA 1 107 ARG H 2.500 . 2.800 2.314 2.314 2.314 . 0 0 "[ ]" 1 663 1 106 VAL MG1 1 107 ARG H 3.000 . 4.300 2.172 2.172 2.172 . 0 0 "[ ]" 1 664 1 106 VAL MG2 1 107 ARG H 4.000 . 5.300 3.612 3.612 3.612 . 0 0 "[ ]" 1 665 1 107 ARG H 1 107 ARG QB 3.000 . 4.300 2.723 2.723 2.723 . 0 0 "[ ]" 1 666 1 107 ARG H 1 108 SER H 2.500 . 2.800 1.867 1.867 1.867 . 0 0 "[ ]" 1 667 1 4 THR MG 1 108 SER H 4.000 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1 668 1 82 ALA MB 1 108 SER H 4.000 . 5.300 3.928 3.928 3.928 . 0 0 "[ ]" 1 669 1 106 VAL HA 1 108 SER H 4.000 . 4.300 3.813 3.813 3.813 . 0 0 "[ ]" 1 670 1 106 VAL MG1 1 108 SER H 2.500 . 3.800 1.955 1.955 1.955 . 0 0 "[ ]" 1 671 1 106 VAL MG2 1 108 SER H 4.000 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 1 672 1 107 ARG HA 1 108 SER H 4.000 . 4.300 3.159 3.159 3.159 . 0 0 "[ ]" 1 673 1 107 ARG QB 1 108 SER H 3.000 . 4.300 3.574 3.574 3.574 . 0 0 "[ ]" 1 674 1 2 LEU HB2 1 109 CYS H 4.000 . 4.300 3.989 3.989 3.989 . 0 0 "[ ]" 1 675 1 3 ASP HA 1 109 CYS H 3.000 . 3.300 2.438 2.438 2.438 . 0 0 "[ ]" 1 676 1 4 THR MG 1 109 CYS H 4.000 . 5.300 4.336 4.336 4.336 . 0 0 "[ ]" 1 677 1 17 VAL HB 1 109 CYS H 4.000 . 4.300 3.123 3.123 3.123 . 0 0 "[ ]" 1 678 1 17 VAL MG1 1 109 CYS H 4.000 . 5.300 3.868 3.868 3.868 . 0 0 "[ ]" 1 679 1 106 VAL MG1 1 109 CYS H 4.000 . 5.300 4.083 4.083 4.083 . 0 0 "[ ]" 1 680 1 108 SER HA 1 109 CYS H 3.000 . 3.300 2.195 2.195 2.195 . 0 0 "[ ]" 1 681 1 108 SER QB 1 109 CYS H 2.500 . 3.800 3.292 3.292 3.292 . 0 0 "[ ]" 1 682 1 109 CYS H 1 109 CYS HB3 4.000 . 4.300 3.663 3.663 3.663 . 0 0 "[ ]" 1 683 1 109 CYS H 1 109 CYS HB2 3.000 . 3.300 2.440 2.440 2.440 . 0 0 "[ ]" 1 684 1 79 VAL MG1 1 110 LYS H 4.000 . 5.300 4.399 4.399 4.399 . 0 0 "[ ]" 1 685 1 79 VAL MG2 1 110 LYS H 4.000 . 5.300 3.324 3.324 3.324 . 0 0 "[ ]" 1 686 1 109 CYS HA 1 110 LYS H 2.500 . 2.800 2.717 2.717 2.717 . 0 0 "[ ]" 1 687 1 109 CYS HB3 1 110 LYS H 3.000 . 3.300 1.954 1.954 1.954 . 0 0 "[ ]" 1 688 1 109 CYS HB2 1 110 LYS H 4.000 . 4.300 3.164 3.164 3.164 . 0 0 "[ ]" 1 689 1 110 LYS HA 1 111 CYS H 3.000 . 3.300 3.120 3.120 3.120 . 0 0 "[ ]" 1 690 1 110 LYS QB 1 111 CYS H 2.500 . 3.800 1.931 1.931 1.931 . 0 0 "[ ]" 1 691 1 111 CYS H 1 111 CYS HB2 4.000 . 4.300 2.810 2.810 2.810 . 0 0 "[ ]" 1 692 1 111 CYS H 1 111 CYS HB3 4.000 . 4.300 3.847 3.847 3.847 . 0 0 "[ ]" 1 693 1 78 CYS HA 1 112 SER H 4.000 . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 1 694 1 79 VAL MG1 1 112 SER H 3.000 . 4.300 2.210 2.210 2.210 . 0 0 "[ ]" 1 695 1 79 VAL MG2 1 112 SER H 2.500 . 3.800 3.031 3.031 3.031 . 0 0 "[ ]" 1 696 1 111 CYS HA 1 112 SER H 2.500 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1 697 1 111 CYS HB3 1 112 SER H 4.000 . 4.300 4.047 4.047 4.047 . 0 0 "[ ]" 1 698 1 2 LEU HA 1 2 LEU HB3 3.000 . 3.300 2.401 2.401 2.401 . 0 0 "[ ]" 1 699 1 2 LEU HA 1 2 LEU HG 4.000 . 4.300 3.280 3.280 3.280 . 0 0 "[ ]" 1 700 1 2 LEU HA 1 2 LEU MD1 4.000 . 5.300 3.760 3.760 3.760 . 0 0 "[ ]" 1 701 1 2 LEU HA 1 2 LEU MD2 2.500 . 3.800 1.820 1.820 1.820 . 0 0 "[ ]" 1 702 1 2 LEU HA 1 6 TYR HD2 3.000 . 3.300 3.151 3.151 3.151 . 0 0 "[ ]" 1 703 1 2 LEU HA 1 16 CYS HA 4.000 . 4.300 3.807 3.807 3.807 . 0 0 "[ ]" 1 704 1 2 LEU HB2 1 2 LEU MD1 3.000 . 4.300 2.367 2.367 2.367 . 0 0 "[ ]" 1 705 1 2 LEU MD1 1 15 CYS QB 4.000 . 6.300 2.153 2.153 2.153 . 0 0 "[ ]" 1 706 1 2 LEU MD1 1 52 TRP HZ2 4.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1 707 1 2 LEU MD1 1 53 SER QB 3.000 . 5.300 2.891 2.891 2.891 . 0 0 "[ ]" 1 708 1 2 LEU MD1 1 109 CYS HB2 4.000 . 5.300 4.233 4.233 4.233 . 0 0 "[ ]" 1 709 1 2 LEU HB3 1 2 LEU MD2 3.000 . 4.300 2.471 2.471 2.471 . 0 0 "[ ]" 1 710 1 2 LEU MD2 1 52 TRP HZ2 2.500 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1 711 1 3 ASP HA 1 17 VAL MG1 3.000 . 4.300 3.076 3.076 3.076 . 0 0 "[ ]" 1 712 1 3 ASP HA 1 108 SER HA 3.000 . 3.300 1.875 1.875 1.875 . 0 0 "[ ]" 1 713 1 3 ASP HA 1 108 SER QB 3.000 . 4.300 3.200 3.200 3.200 . 0 0 "[ ]" 1 714 1 4 THR HA 1 4 THR HB 3.000 . 3.300 2.335 2.335 2.335 . 0 0 "[ ]" 1 715 1 4 THR HA 1 7 CYS QB 3.000 . 4.300 2.739 2.739 2.739 . 0 0 "[ ]" 1 716 1 4 THR HA 1 4 THR MG 2.500 . 3.800 2.541 2.541 2.541 . 0 0 "[ ]" 1 717 1 4 THR HA 1 17 VAL MG2 4.000 . 5.300 3.436 3.436 3.436 . 0 0 "[ ]" 1 718 1 4 THR HB 1 17 VAL MG2 4.000 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1 719 1 4 THR MG 1 17 VAL MG1 3.000 . 5.300 1.925 1.925 1.925 . 0 0 "[ ]" 1 720 1 4 THR MG 1 17 VAL HB 4.000 . 5.300 3.479 3.479 3.479 . 0 0 "[ ]" 1 721 1 4 THR MG 1 17 VAL MG2 3.000 . 5.300 1.961 1.961 1.961 . 0 0 "[ ]" 1 722 1 4 THR MG 1 106 VAL MG1 3.000 . 5.300 2.643 2.643 2.643 . 0 0 "[ ]" 1 723 1 4 THR MG 1 107 ARG QG 4.000 . 6.300 3.441 3.441 3.441 . 0 0 "[ ]" 1 724 1 6 TYR HA 1 6 TYR HB2 2.500 . 2.800 2.391 2.391 2.391 . 0 0 "[ ]" 1 725 1 6 TYR HA 1 6 TYR HB3 3.000 . 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 1 726 1 2 LEU MD2 1 6 TYR HD2 3.000 . 4.300 3.060 3.060 3.060 . 0 0 "[ ]" 1 727 1 6 TYR HA 1 6 TYR HD1 2.500 . 2.800 2.714 2.714 2.714 . 0 0 "[ ]" 1 728 1 6 TYR HD2 1 52 TRP HZ2 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 1 729 1 6 TYR HE2 1 52 TRP HH2 4.000 . 4.300 3.986 3.986 3.986 . 0 0 "[ ]" 1 730 1 2 LEU MD2 1 6 TYR HE2 3.000 . 4.300 3.508 3.508 3.508 . 0 0 "[ ]" 1 731 1 6 TYR HE2 1 12 GLU QB 4.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 1 732 1 6 TYR HE2 1 12 GLU QG 3.000 . 4.300 2.969 2.969 2.969 . 0 0 "[ ]" 1 733 1 6 TYR HE2 1 52 TRP HZ2 3.000 . 3.300 2.726 2.726 2.726 . 0 0 "[ ]" 1 734 1 7 CYS HA 1 7 CYS HB3 3.000 . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 1 735 1 7 CYS HA 1 16 CYS QB 4.000 . 5.300 4.117 4.117 4.117 . 0 0 "[ ]" 1 736 1 7 CYS QB 1 16 CYS QB 4.000 . 6.300 3.264 3.264 3.264 . 0 0 "[ ]" 1 737 1 7 CYS QB 1 17 VAL MG1 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 1 738 1 7 CYS QB 1 17 VAL MG2 3.000 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1 739 1 7 CYS QB 1 18 ARG HA 4.000 . 5.300 3.437 3.437 3.437 . 0 0 "[ ]" 1 740 1 8 PHE HA 1 8 PHE HB3 2.500 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1 741 1 8 PHE HB2 1 8 PHE HD1 3.000 . 3.300 3.292 3.292 3.292 . 0 0 "[ ]" 1 742 1 8 PHE HB3 1 8 PHE HD2 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1 743 1 8 PHE HE1 1 17 VAL MG1 4.000 . 5.300 3.481 3.481 3.481 . 0 0 "[ ]" 1 744 1 8 PHE HE1 1 19 GLN HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1 745 1 8 PHE HE1 1 19 GLN HB2 4.000 . 4.300 4.309 4.309 4.309 0.009 1 0 "[ ]" 1 746 1 9 SER QB 1 10 SER QB 4.000 . 6.300 3.130 3.130 3.130 . 0 0 "[ ]" 1 747 1 10 SER HA 1 10 SER QB 2.500 . 3.800 2.497 2.497 2.497 . 0 0 "[ ]" 1 748 1 11 THR HA 1 11 THR MG 2.500 . 3.800 2.124 2.124 2.124 . 0 0 "[ ]" 1 749 1 12 GLU QG 1 52 TRP HZ2 4.000 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1 750 1 15 CYS HA 1 78 CYS QB 3.000 . 4.300 2.170 2.170 2.170 . 0 0 "[ ]" 1 751 1 15 CYS QB 1 48 CYS HA 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 1 752 1 15 CYS QB 1 78 CYS HB2 3.000 . 4.300 1.837 1.837 1.837 . 0 0 "[ ]" 1 753 1 15 CYS QB 1 78 CYS HB3 4.000 . 5.300 3.462 3.462 3.462 . 0 0 "[ ]" 1 754 1 2 LEU MD2 1 16 CYS HA 3.000 . 4.300 3.336 3.336 3.336 . 0 0 "[ ]" 1 755 1 16 CYS HA 1 109 CYS QB 4.000 . 5.300 4.245 4.245 4.245 . 0 0 "[ ]" 1 756 1 17 VAL HA 1 44 CYS HA 2.500 . 2.800 2.011 2.011 2.011 . 0 0 "[ ]" 1 757 1 17 VAL HA 1 44 CYS HB3 4.000 . 4.300 3.339 3.339 3.339 . 0 0 "[ ]" 1 758 1 17 VAL HA 1 17 VAL MG2 2.500 . 3.800 2.330 2.330 2.330 . 0 0 "[ ]" 1 759 1 17 VAL MG2 1 42 ASN HA 4.000 . 5.300 3.803 3.803 3.803 . 0 0 "[ ]" 1 760 1 17 VAL MG2 1 42 ASN QB 2.500 . 4.800 2.432 2.432 2.432 . 0 0 "[ ]" 1 761 1 17 VAL MG2 1 43 PHE HD1 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 1 762 1 17 VAL MG2 1 44 CYS HA 3.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1 763 1 17 VAL MG2 1 106 VAL HB 4.000 . 5.300 3.616 3.616 3.616 . 0 0 "[ ]" 1 764 1 17 VAL MG1 1 108 SER HA 4.000 . 5.300 3.848 3.848 3.848 . 0 0 "[ ]" 1 765 1 17 VAL MG2 1 108 SER HA 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 1 766 1 19 GLN HA 1 42 ASN HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 1 767 1 19 GLN HA 1 43 PHE HD1 4.000 . 4.300 4.239 4.239 4.239 . 0 0 "[ ]" 1 768 1 20 LEU HA 1 20 LEU HG 4.000 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 1 769 1 20 LEU HA 1 20 LEU MD1 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 1 770 1 20 LEU HA 1 43 PHE HD1 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 1 771 1 20 LEU QB 1 43 PHE HE1 3.000 . 4.300 3.177 3.177 3.177 . 0 0 "[ ]" 1 772 1 20 LEU QB 1 43 PHE HD1 2.500 . 3.800 2.112 2.112 2.112 . 0 0 "[ ]" 1 773 1 20 LEU MD2 1 22 ILE MD 3.000 . 5.300 2.885 2.885 2.885 . 0 0 "[ ]" 1 774 1 20 LEU QB 1 20 LEU MD2 2.500 . 4.800 2.106 2.106 2.106 . 0 0 "[ ]" 1 775 1 20 LEU MD2 1 41 ALA MB 3.000 . 5.300 2.970 2.970 2.970 . 0 0 "[ ]" 1 776 1 20 LEU MD2 1 43 PHE HD2 3.000 . 4.300 2.764 2.764 2.764 . 0 0 "[ ]" 1 777 1 20 LEU MD1 1 43 PHE QB 3.000 . 5.300 3.824 3.824 3.824 . 0 0 "[ ]" 1 778 1 20 LEU MD1 1 43 PHE HD1 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 1 779 1 20 LEU MD1 1 43 PHE HE1 4.000 . 5.300 3.675 3.675 3.675 . 0 0 "[ ]" 1 780 1 21 TYR HA 1 21 TYR HB2 3.000 . 3.300 2.446 2.446 2.446 . 0 0 "[ ]" 1 781 1 21 TYR HA 1 21 TYR HD2 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1 782 1 21 TYR HA 1 40 HIS HA 2.500 . 2.800 2.263 2.263 2.263 . 0 0 "[ ]" 1 783 1 21 TYR HB2 1 21 TYR HD2 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1 784 1 21 TYR HD2 1 40 HIS HA 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 1 785 1 21 TYR HD2 1 40 HIS HD2 4.000 . 4.300 4.200 4.200 4.200 . 0 0 "[ ]" 1 786 1 21 TYR HD2 1 40 HIS HE1 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 1 787 1 21 TYR HB3 1 21 TYR HD1 3.000 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 1 788 1 21 TYR HD1 1 23 ASP QB 4.000 . 5.300 3.526 3.526 3.526 . 0 0 "[ ]" 1 789 1 21 TYR HE2 1 40 HIS HE1 4.000 . 4.300 4.262 4.262 4.262 . 0 0 "[ ]" 1 790 1 21 TYR HE1 1 23 ASP HB3 3.000 . 3.300 3.348 3.348 3.348 0.048 1 0 "[ ]" 1 791 1 21 TYR HE1 1 23 ASP HB2 3.000 . 3.300 1.870 1.870 1.870 . 0 0 "[ ]" 1 792 1 21 TYR HE1 1 38 GLY QA 3.000 . 4.300 2.753 2.753 2.753 . 0 0 "[ ]" 1 793 1 22 ILE HA 1 22 ILE HG13 4.000 . 4.300 3.218 3.218 3.218 . 0 0 "[ ]" 1 794 1 22 ILE HA 1 22 ILE MG 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 1 795 1 22 ILE HA 1 22 ILE MD 4.000 . 5.300 3.726 3.726 3.726 . 0 0 "[ ]" 1 796 1 22 ILE HB 1 22 ILE HG13 3.000 . 3.300 2.408 2.408 2.408 . 0 0 "[ ]" 1 797 1 22 ILE HB 1 39 TYR HD1 4.000 . 4.300 3.357 3.357 3.357 . 0 0 "[ ]" 1 798 1 22 ILE MD 1 22 ILE MG 2.500 . 4.800 1.888 1.888 1.888 . 0 0 "[ ]" 1 799 1 22 ILE MG 1 27 ASP HB3 2.500 . 3.800 2.378 2.378 2.378 . 0 0 "[ ]" 1 800 1 22 ILE MG 1 27 ASP HB2 2.500 . 3.800 1.858 1.858 1.858 . 0 0 "[ ]" 1 801 1 22 ILE MG 1 28 LEU HG 3.000 . 4.300 1.957 1.957 1.957 . 0 0 "[ ]" 1 802 1 22 ILE MG 1 28 LEU MD1 3.000 . 5.300 2.173 2.173 2.173 . 0 0 "[ ]" 1 803 1 22 ILE MG 1 28 LEU MD2 3.000 . 5.300 2.711 2.711 2.711 . 0 0 "[ ]" 1 804 1 22 ILE MG 1 39 TYR HD1 4.000 . 5.300 4.312 4.312 4.312 . 0 0 "[ ]" 1 805 1 22 ILE MG 1 41 ALA MB 4.000 . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 1 806 1 22 ILE MD 1 28 LEU HG 4.000 . 5.300 3.522 3.522 3.522 . 0 0 "[ ]" 1 807 1 22 ILE MD 1 41 ALA MB 2.500 . 4.800 2.014 2.014 2.014 . 0 0 "[ ]" 1 808 1 23 ASP HA 1 38 GLY QA 2.500 . 3.800 1.883 1.883 1.883 . 0 0 "[ ]" 1 809 1 21 TYR HE1 1 23 ASP HA 3.000 . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 1 810 1 24 PHE HA 1 30 TRP HB2 4.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 1 811 1 24 PHE HB2 1 37 LYS HA 4.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 1 812 1 24 PHE HD1 1 33 ILE MD 3.000 . 4.300 3.095 3.095 3.095 . 0 0 "[ ]" 1 813 1 24 PHE HD1 1 33 ILE MG 3.000 . 4.300 3.473 3.473 3.473 . 0 0 "[ ]" 1 814 1 24 PHE HD2 1 33 ILE MG 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 1 815 1 24 PHE HD1 1 104 MET ME 4.000 . 5.300 3.665 3.665 3.665 . 0 0 "[ ]" 1 816 1 24 PHE HD2 1 37 LYS HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 1 817 1 24 PHE HD2 1 38 GLY QA 2.500 . 3.800 2.261 2.261 2.261 . 0 0 "[ ]" 1 818 1 24 PHE HE1 1 28 LEU MD1 4.000 . 5.300 3.940 3.940 3.940 . 0 0 "[ ]" 1 819 1 24 PHE HE1 1 33 ILE MG 4.000 . 5.300 3.371 3.371 3.371 . 0 0 "[ ]" 1 820 1 24 PHE HE2 1 33 ILE MG 3.000 . 4.300 3.513 3.513 3.513 . 0 0 "[ ]" 1 821 1 24 PHE HE1 1 33 ILE MD 3.000 . 4.300 2.128 2.128 2.128 . 0 0 "[ ]" 1 822 1 24 PHE HE2 1 33 ILE MD 4.000 . 5.300 4.201 4.201 4.201 . 0 0 "[ ]" 1 823 1 24 PHE HE2 1 36 PRO QG 3.000 . 4.300 2.443 2.443 2.443 . 0 0 "[ ]" 1 824 1 24 PHE HE2 1 86 LEU MD2 3.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 1 825 1 24 PHE HE2 1 86 LEU MD1 3.000 . 4.300 2.529 2.529 2.529 . 0 0 "[ ]" 1 826 1 24 PHE HE2 1 88 ILE MG 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 1 827 1 24 PHE HE1 1 104 MET ME 2.500 . 3.800 1.833 1.833 1.833 . 0 0 "[ ]" 1 828 1 24 PHE HZ 1 33 ILE MG 4.000 . 5.300 3.350 3.350 3.350 . 0 0 "[ ]" 1 829 1 24 PHE HZ 1 33 ILE MD 4.000 . 5.300 2.897 2.897 2.897 . 0 0 "[ ]" 1 830 1 24 PHE HZ 1 39 TYR HD1 4.000 . 4.300 4.316 4.316 4.316 0.016 1 0 "[ ]" 1 831 1 24 PHE HZ 1 86 LEU MD2 2.500 . 3.800 1.715 1.715 1.715 0.085 1 0 "[ ]" 1 832 1 24 PHE HZ 1 86 LEU MD1 3.000 . 4.300 2.395 2.395 2.395 . 0 0 "[ ]" 1 833 1 24 PHE HZ 1 88 ILE MG 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 1 834 1 24 PHE HZ 1 101 LEU MD1 4.000 . 5.300 3.099 3.099 3.099 . 0 0 "[ ]" 1 835 1 24 PHE HZ 1 104 MET ME 2.500 . 3.800 1.997 1.997 1.997 . 0 0 "[ ]" 1 836 1 28 LEU HA 1 28 LEU HB3 2.500 . 2.800 2.439 2.439 2.439 . 0 0 "[ ]" 1 837 1 28 LEU HA 1 28 LEU MD2 2.500 . 3.800 1.925 1.925 1.925 . 0 0 "[ ]" 1 838 1 24 PHE HA 1 28 LEU MD1 4.000 . 5.300 3.390 3.390 3.390 . 0 0 "[ ]" 1 839 1 28 LEU MD1 1 104 MET ME 3.000 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1 840 1 24 PHE HD1 1 30 TRP HE3 3.000 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1 841 1 28 LEU MD1 1 30 TRP HE3 4.000 . 5.300 4.000 4.000 4.000 . 0 0 "[ ]" 1 842 1 30 TRP HB3 1 30 TRP HE3 3.000 . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1 843 1 30 TRP HB2 1 30 TRP HE3 3.000 . 3.300 3.210 3.210 3.210 . 0 0 "[ ]" 1 844 1 30 TRP HE3 1 32 TRP HZ2 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 1 845 1 30 TRP HE3 1 33 ILE MD 2.500 . 3.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 1 846 1 30 TRP HE3 1 33 ILE HG13 4.000 . 4.300 3.611 3.611 3.611 . 0 0 "[ ]" 1 847 1 30 TRP HE3 1 33 ILE HG12 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 1 848 1 28 LEU MD1 1 30 TRP HH2 4.000 . 5.300 4.063 4.063 4.063 . 0 0 "[ ]" 1 849 1 28 LEU MD1 1 30 TRP HZ2 4.000 . 5.300 3.289 3.289 3.289 . 0 0 "[ ]" 1 850 1 28 LEU MD1 1 30 TRP HZ3 4.000 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1 851 1 30 TRP HZ3 1 32 TRP HH2 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1 852 1 30 TRP HZ3 1 32 TRP HZ2 3.000 . 3.300 2.374 2.374 2.374 . 0 0 "[ ]" 1 853 1 30 TRP HZ3 1 33 ILE MD 2.500 . 3.800 2.176 2.176 2.176 . 0 0 "[ ]" 1 854 1 30 TRP HZ3 1 101 LEU MD1 3.000 . 4.300 2.306 2.306 2.306 . 0 0 "[ ]" 1 855 1 28 LEU HB3 1 30 TRP HD1 3.000 . 3.300 2.614 2.614 2.614 . 0 0 "[ ]" 1 856 1 28 LEU HB2 1 30 TRP HD1 4.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 1 857 1 28 LEU MD1 1 30 TRP HD1 4.000 . 5.300 3.925 3.925 3.925 . 0 0 "[ ]" 1 858 1 30 TRP HA 1 30 TRP HD1 2.500 . 2.800 2.006 2.006 2.006 . 0 0 "[ ]" 1 859 1 32 TRP HA 1 32 TRP HE3 4.000 . 4.300 4.296 4.296 4.296 . 0 0 "[ ]" 1 860 1 32 TRP HB3 1 32 TRP HE3 4.000 . 4.300 4.076 4.076 4.076 . 0 0 "[ ]" 1 861 1 32 TRP HB2 1 32 TRP HE3 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1 862 1 32 TRP HE3 1 33 ILE HA 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1 863 1 32 TRP HE3 1 33 ILE QG 3.000 . 4.300 3.189 3.189 3.189 . 0 0 "[ ]" 1 864 1 32 TRP HE3 1 33 ILE MD 4.000 . 5.300 4.460 4.460 4.460 . 0 0 "[ ]" 1 865 1 32 TRP HE3 1 88 ILE MD 4.000 . 5.300 4.131 4.131 4.131 . 0 0 "[ ]" 1 866 1 32 TRP HE3 1 90 TYR HB3 4.000 . 4.300 3.364 3.364 3.364 . 0 0 "[ ]" 1 867 1 32 TRP HE3 1 90 TYR HB2 4.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 1 868 1 32 TRP HZ3 1 88 ILE MD 3.000 . 4.300 2.717 2.717 2.717 . 0 0 "[ ]" 1 869 1 32 TRP HZ3 1 90 TYR HD1 4.000 . 4.300 3.588 3.588 3.588 . 0 0 "[ ]" 1 870 1 32 TRP HZ3 1 101 LEU MD2 4.000 . 5.300 3.275 3.275 3.275 . 0 0 "[ ]" 1 871 1 32 TRP HZ2 1 88 ILE MD 4.000 . 5.300 3.666 3.666 3.666 . 0 0 "[ ]" 1 872 1 30 TRP HA 1 32 TRP HD1 3.000 . 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 1 873 1 30 TRP HB3 1 32 TRP HD1 4.000 . 4.300 2.989 2.989 2.989 . 0 0 "[ ]" 1 874 1 32 TRP HA 1 32 TRP HD1 4.000 . 4.300 4.328 4.328 4.328 0.028 1 0 "[ ]" 1 875 1 32 TRP HB3 1 32 TRP HD1 3.000 . 3.300 2.736 2.736 2.736 . 0 0 "[ ]" 1 876 1 32 TRP HD1 1 33 ILE MD 4.000 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 1 877 1 33 ILE HA 1 33 ILE HG12 3.000 . 3.300 2.404 2.404 2.404 . 0 0 "[ ]" 1 878 1 33 ILE HA 1 33 ILE HG13 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1 879 1 33 ILE HA 1 33 ILE MG 3.000 . 4.300 2.581 2.581 2.581 . 0 0 "[ ]" 1 880 1 33 ILE HA 1 33 ILE MD 4.000 . 5.300 3.736 3.736 3.736 . 0 0 "[ ]" 1 881 1 33 ILE HA 1 90 TYR HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 1 882 1 33 ILE HA 1 90 TYR HB3 3.000 . 3.300 1.925 1.925 1.925 . 0 0 "[ ]" 1 883 1 33 ILE HA 1 90 TYR HB2 4.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 1 884 1 33 ILE HB 1 33 ILE HG13 3.000 . 3.300 2.503 2.503 2.503 . 0 0 "[ ]" 1 885 1 33 ILE HB 1 33 ILE MD 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 1 886 1 33 ILE MD 1 33 ILE MG 2.500 . 4.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 1 887 1 33 ILE MG 1 88 ILE QG 3.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 1 888 1 33 ILE MG 1 88 ILE MG 3.000 . 5.300 3.117 3.117 3.117 . 0 0 "[ ]" 1 889 1 32 TRP HH2 1 33 ILE MD 3.000 . 4.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 890 1 32 TRP HZ2 1 33 ILE MD 2.500 . 3.800 2.106 2.106 2.106 . 0 0 "[ ]" 1 891 1 33 ILE MD 1 88 ILE MG 3.000 . 5.300 2.547 2.547 2.547 . 0 0 "[ ]" 1 892 1 33 ILE MD 1 88 ILE MD 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 1 893 1 33 ILE MD 1 101 LEU MD1 3.000 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1 894 1 33 ILE MD 1 101 LEU MD2 3.000 . 5.300 3.268 3.268 3.268 . 0 0 "[ ]" 1 895 1 33 ILE MD 1 104 MET ME 3.000 . 5.300 2.858 2.858 2.858 . 0 0 "[ ]" 1 896 1 34 HIS HD2 1 89 VAL HB 3.000 . 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 1 897 1 34 HIS HD2 1 91 TYR HE1 4.000 . 4.300 3.904 3.904 3.904 . 0 0 "[ ]" 1 898 1 34 HIS QB 1 89 VAL HB 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1 899 1 34 HIS QB 1 90 TYR HA 3.000 . 4.300 2.847 2.847 2.847 . 0 0 "[ ]" 1 900 1 34 HIS HA 1 90 TYR HA 4.500 . 4.800 4.739 4.739 4.739 . 0 0 "[ ]" 1 901 1 35 GLU HA 1 36 PRO HA 2.500 . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 1 902 1 35 GLU HB2 1 89 VAL HB 3.000 . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 1 903 1 35 GLU HB3 1 36 PRO HA 3.000 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1 904 1 21 TYR HE2 1 39 TYR HA 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 1 905 1 39 TYR HA 1 39 TYR HD2 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 1 906 1 39 TYR HA 1 39 TYR HD1 4.000 . 4.300 3.982 3.982 3.982 . 0 0 "[ ]" 1 907 1 39 TYR QB 1 39 TYR HD1 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 1 908 1 39 TYR QB 1 39 TYR HD2 3.000 . 4.300 2.294 2.294 2.294 . 0 0 "[ ]" 1 909 1 39 TYR HD2 1 41 ALA HA 3.000 . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1 910 1 39 TYR HD1 1 41 ALA MB 4.000 . 5.300 4.168 4.168 4.168 . 0 0 "[ ]" 1 911 1 39 TYR HD2 1 41 ALA MB 4.000 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 1 912 1 39 TYR HD2 1 86 LEU MD1 4.000 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 1 913 1 39 TYR HD2 1 105 ILE HA 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1 914 1 39 TYR HD2 1 105 ILE HG13 4.000 . 4.300 3.379 3.379 3.379 . 0 0 "[ ]" 1 915 1 39 TYR HD2 1 105 ILE HG12 3.000 . 3.300 1.899 1.899 1.899 . 0 0 "[ ]" 1 916 1 39 TYR HD2 1 105 ILE MG 4.000 . 5.300 3.180 3.180 3.180 . 0 0 "[ ]" 1 917 1 39 TYR HD2 1 105 ILE MD 3.000 . 4.300 2.238 2.238 2.238 . 0 0 "[ ]" 1 918 1 39 TYR HE2 1 41 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 1 919 1 39 TYR HE1 1 41 ALA MB 3.000 . 4.300 3.053 3.053 3.053 . 0 0 "[ ]" 1 920 1 41 ALA HA 1 105 ILE HA 2.500 . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1 921 1 20 LEU QB 1 42 ASN HA 2.500 . 3.800 2.366 2.366 2.366 . 0 0 "[ ]" 1 922 1 42 ASN HB3 1 106 VAL HB 2.500 . 2.800 2.319 2.319 2.319 . 0 0 "[ ]" 1 923 1 42 ASN HB2 1 106 VAL HB 2.500 . 2.800 2.030 2.030 2.030 . 0 0 "[ ]" 1 924 1 17 VAL MG2 1 43 PHE HA 3.000 . 4.300 3.373 3.373 3.373 . 0 0 "[ ]" 1 925 1 43 PHE HA 1 106 VAL MG1 4.000 . 5.300 3.233 3.233 3.233 . 0 0 "[ ]" 1 926 1 43 PHE HA 1 106 VAL MG2 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 1 927 1 18 ARG QG 1 43 PHE HE1 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 1 928 1 43 PHE HE2 1 45 LEU HB2 4.000 . 4.300 4.359 4.359 4.359 0.059 1 0 "[ ]" 1 929 1 43 PHE HE2 1 45 LEU HG 2.500 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1 930 1 43 PHE HD2 1 45 LEU HG 4.000 . 4.300 3.212 3.212 3.212 . 0 0 "[ ]" 1 931 1 43 PHE HE2 1 45 LEU MD1 2.500 . 3.800 1.798 1.798 1.798 0.002 1 0 "[ ]" 1 932 1 43 PHE HD2 1 45 LEU MD2 2.500 . 3.800 2.949 2.949 2.949 . 0 0 "[ ]" 1 933 1 43 PHE HE2 1 45 LEU MD2 2.500 . 3.800 2.454 2.454 2.454 . 0 0 "[ ]" 1 934 1 43 PHE HZ 1 45 LEU MD1 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 1 935 1 43 PHE HZ 1 45 LEU MD2 4.000 . 5.300 4.140 4.140 4.140 . 0 0 "[ ]" 1 936 1 44 CYS QB 1 79 VAL HA 3.000 . 4.300 2.934 2.934 2.934 . 0 0 "[ ]" 1 937 1 44 CYS HB2 1 109 CYS HB3 4.000 . 4.300 3.642 3.642 3.642 . 0 0 "[ ]" 1 938 1 44 CYS HB3 1 109 CYS HB3 3.000 . 3.300 2.682 2.682 2.682 . 0 0 "[ ]" 1 939 1 45 LEU HA 1 45 LEU HB3 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 1 940 1 45 LEU HA 1 45 LEU MD1 4.000 . 5.300 3.692 3.692 3.692 . 0 0 "[ ]" 1 941 1 45 LEU HA 1 45 LEU MD2 2.500 . 3.800 1.801 1.801 1.801 . 0 0 "[ ]" 1 942 1 45 LEU HA 1 45 LEU HG 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 1 943 1 45 LEU HA 1 78 CYS HB3 4.000 . 4.300 4.178 4.178 4.178 . 0 0 "[ ]" 1 944 1 18 ARG QG 1 45 LEU MD1 4.000 . 6.300 4.339 4.339 4.339 . 0 0 "[ ]" 1 945 1 45 LEU HB2 1 45 LEU MD2 3.000 . 4.300 3.180 3.180 3.180 . 0 0 "[ ]" 1 946 1 45 LEU HB3 1 45 LEU MD2 3.000 . 4.300 2.370 2.370 2.370 . 0 0 "[ ]" 1 947 1 46 GLY QA 1 47 PRO QD 2.500 . 4.800 1.820 1.820 1.820 . 0 0 "[ ]" 1 948 1 48 CYS HA 1 49 PRO QD 2.500 . 3.800 1.945 1.945 1.945 . 0 0 "[ ]" 1 949 1 48 CYS QB 1 63 ALA MB 4.000 . 6.300 4.368 4.368 4.368 . 0 0 "[ ]" 1 950 1 48 CYS HB3 1 76 PRO QG 4.000 . 5.300 4.281 4.281 4.281 . 0 0 "[ ]" 1 951 1 48 CYS HB2 1 76 PRO QG 4.000 . 5.300 4.034 4.034 4.034 . 0 0 "[ ]" 1 952 1 48 CYS QB 1 76 PRO QB 4.000 . 6.300 4.797 4.797 4.797 . 0 0 "[ ]" 1 953 1 50 TYR HA 1 63 ALA MB 2.500 . 3.800 2.135 2.135 2.135 . 0 0 "[ ]" 1 954 1 50 TYR HA 1 50 TYR HD1 3.000 . 3.300 2.899 2.899 2.899 . 0 0 "[ ]" 1 955 1 50 TYR QB 1 50 TYR HD1 2.500 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 1 956 1 50 TYR QB 1 50 TYR HD2 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 1 957 1 50 TYR HD1 1 63 ALA MB 2.500 . 3.800 2.238 2.238 2.238 . 0 0 "[ ]" 1 958 1 50 TYR HD1 1 64 LEU HA 4.000 . 4.300 3.004 3.004 3.004 . 0 0 "[ ]" 1 959 1 50 TYR HD1 1 64 LEU MD1 4.000 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 1 960 1 50 TYR HD1 1 64 LEU MD2 3.000 . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 1 961 1 50 TYR HE1 1 64 LEU HG 3.000 . 3.300 3.203 3.203 3.203 . 0 0 "[ ]" 1 962 1 50 TYR HE1 1 64 LEU MD1 4.000 . 5.300 4.500 4.500 4.500 . 0 0 "[ ]" 1 963 1 50 TYR HE1 1 64 LEU MD2 3.000 . 4.300 2.199 2.199 2.199 . 0 0 "[ ]" 1 964 1 50 TYR HE1 1 67 GLN HB2 3.000 . 3.300 1.849 1.849 1.849 . 0 0 "[ ]" 1 965 1 51 ILE HA 1 51 ILE HB 3.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 1 966 1 51 ILE HA 1 51 ILE MG 3.000 . 4.300 2.159 2.159 2.159 . 0 0 "[ ]" 1 967 1 51 ILE HA 1 54 LEU MD1 2.500 . 3.800 2.794 2.794 2.794 . 0 0 "[ ]" 1 968 1 51 ILE HB 1 51 ILE HG13 3.000 . 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 1 969 1 51 ILE HB 1 51 ILE MD 3.000 . 4.300 2.177 2.177 2.177 . 0 0 "[ ]" 1 970 1 51 ILE MD 1 51 ILE MG 3.000 . 5.300 2.422 2.422 2.422 . 0 0 "[ ]" 1 971 1 51 ILE MD 1 52 TRP HE3 3.000 . 4.300 3.329 3.329 3.329 . 0 0 "[ ]" 1 972 1 51 ILE MD 1 52 TRP HZ3 4.000 . 5.300 3.499 3.499 3.499 . 0 0 "[ ]" 1 973 1 50 TYR HD2 1 51 ILE MG 3.000 . 4.300 3.358 3.358 3.358 . 0 0 "[ ]" 1 974 1 51 ILE HG13 1 51 ILE MG 3.000 . 4.300 3.110 3.110 3.110 . 0 0 "[ ]" 1 975 1 51 ILE HG12 1 51 ILE MG 3.000 . 4.300 1.997 1.997 1.997 . 0 0 "[ ]" 1 976 1 52 TRP HA 1 52 TRP HE3 3.000 . 3.300 2.097 2.097 2.097 . 0 0 "[ ]" 1 977 1 52 TRP HA 1 52 TRP HD1 4.000 . 4.300 4.317 4.317 4.317 0.017 1 0 "[ ]" 1 978 1 48 CYS HA 1 52 TRP HD1 4.000 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 1 979 1 52 TRP QB 1 52 TRP HD1 3.000 . 4.300 2.479 2.479 2.479 . 0 0 "[ ]" 1 980 1 15 CYS HB3 1 52 TRP HD1 2.500 . 2.800 1.846 1.846 1.846 . 0 0 "[ ]" 1 981 1 15 CYS HB2 1 52 TRP HD1 3.000 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 1 982 1 2 LEU MD1 1 52 TRP HD1 2.500 . 3.800 1.937 1.937 1.937 . 0 0 "[ ]" 1 983 1 2 LEU MD2 1 52 TRP HD1 4.000 . 5.300 3.378 3.378 3.378 . 0 0 "[ ]" 1 984 1 54 LEU HA 1 54 LEU MD2 2.500 . 3.800 2.435 2.435 2.435 . 0 0 "[ ]" 1 985 1 54 LEU HA 1 111 CYS HB2 3.000 . 3.300 3.313 3.313 3.313 0.013 1 0 "[ ]" 1 986 1 54 LEU HB2 1 54 LEU MD1 3.000 . 4.300 2.076 2.076 2.076 . 0 0 "[ ]" 1 987 1 54 LEU HB3 1 54 LEU MD1 3.000 . 4.300 2.580 2.580 2.580 . 0 0 "[ ]" 1 988 1 54 LEU MD1 1 60 LYS QB 3.000 . 5.300 1.657 1.657 1.657 0.143 1 0 "[ ]" 1 989 1 54 LEU MD1 1 63 ALA MB 3.000 . 5.300 3.485 3.485 3.485 . 0 0 "[ ]" 1 990 1 54 LEU HB3 1 54 LEU MD2 3.000 . 4.300 2.031 2.031 2.031 . 0 0 "[ ]" 1 991 1 54 LEU MD2 1 60 LYS QB 4.000 . 6.300 2.859 2.859 2.859 . 0 0 "[ ]" 1 992 1 54 LEU MD2 1 63 ALA MB 3.000 . 5.300 2.463 2.463 2.463 . 0 0 "[ ]" 1 993 1 54 LEU MD2 1 111 CYS HB2 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 1 994 1 56 THR HA 1 56 THR HB 2.500 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1 995 1 56 THR HA 1 56 THR MG 2.500 . 3.800 2.574 2.574 2.574 . 0 0 "[ ]" 1 996 1 56 THR HB 1 57 GLN QB 4.000 . 5.300 4.392 4.392 4.392 . 0 0 "[ ]" 1 997 1 56 THR MG 1 112 SER HB2 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1 998 1 57 GLN HA 1 60 LYS QB 4.000 . 5.300 4.003 4.003 4.003 . 0 0 "[ ]" 1 999 1 58 TYR HA 1 58 TYR HD1 3.000 . 3.300 2.894 2.894 2.894 . 0 0 "[ ]" 1 1000 1 58 TYR HD1 1 62 LEU QB 4.000 . 4.300 3.307 3.307 3.307 . 0 0 "[ ]" 1 1001 1 58 TYR HE2 1 62 LEU MD2 3.000 . 4.300 2.627 2.627 2.627 . 0 0 "[ ]" 1 1002 1 58 TYR HE1 1 62 LEU MD2 3.000 . 4.300 3.454 3.454 3.454 . 0 0 "[ ]" 1 1003 1 58 TYR HE1 1 62 LEU MD1 3.000 . 4.300 2.795 2.795 2.795 . 0 0 "[ ]" 1 1004 1 58 TYR HE2 1 76 PRO HA 4.000 . 4.300 3.590 3.590 3.590 . 0 0 "[ ]" 1 1005 1 59 SER HA 1 76 PRO QG 4.000 . 5.300 4.486 4.486 4.486 . 0 0 "[ ]" 1 1006 1 59 SER QB 1 76 PRO QG 4.000 . 6.300 4.621 4.621 4.621 . 0 0 "[ ]" 1 1007 1 59 SER QB 1 112 SER HA 4.000 . 5.300 4.636 4.636 4.636 . 0 0 "[ ]" 1 1008 1 54 LEU MD1 1 60 LYS HA 3.000 . 4.300 1.987 1.987 1.987 . 0 0 "[ ]" 1 1009 1 60 LYS HA 1 63 ALA MB 2.500 . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 1 1010 1 61 VAL HA 1 61 VAL MG2 3.000 . 4.300 2.259 2.259 2.259 . 0 0 "[ ]" 1 1011 1 61 VAL HA 1 61 VAL MG1 3.000 . 4.300 2.514 2.514 2.514 . 0 0 "[ ]" 1 1012 1 61 VAL HA 1 64 LEU MD1 4.000 . 5.300 2.940 2.940 2.940 . 0 0 "[ ]" 1 1013 1 58 TYR HA 1 61 VAL HB 3.000 . 3.300 2.420 2.420 2.420 . 0 0 "[ ]" 1 1014 1 58 TYR HA 1 61 VAL MG2 3.000 . 4.300 3.331 3.331 3.331 . 0 0 "[ ]" 1 1015 1 62 LEU HA 1 65 TYR HB2 3.000 . 3.300 2.336 2.336 2.336 . 0 0 "[ ]" 1 1016 1 62 LEU HA 1 65 TYR HD2 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1 1017 1 62 LEU HG 1 75 ALA HA 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 1 1018 1 62 LEU HA 1 62 LEU MD1 2.500 . 3.800 2.401 2.401 2.401 . 0 0 "[ ]" 1 1019 1 62 LEU MD1 1 65 TYR HD2 3.000 . 4.300 2.286 2.286 2.286 . 0 0 "[ ]" 1 1020 1 62 LEU MD1 1 65 TYR HE2 4.000 . 5.300 3.669 3.669 3.669 . 0 0 "[ ]" 1 1021 1 62 LEU QB 1 62 LEU MD2 3.000 . 4.300 2.017 2.017 2.017 . 0 0 "[ ]" 1 1022 1 62 LEU MD2 1 76 PRO HA 3.000 . 4.300 2.013 2.013 2.013 . 0 0 "[ ]" 1 1023 1 62 LEU MD2 1 76 PRO QG 4.000 . 6.300 3.162 3.162 3.162 . 0 0 "[ ]" 1 1024 1 63 ALA HA 1 66 ASN HB3 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 1 1025 1 50 TYR QB 1 63 ALA MB 4.000 . 6.300 3.132 3.132 3.132 . 0 0 "[ ]" 1 1026 1 63 ALA MB 1 76 PRO QG 3.000 . 5.300 2.955 2.955 2.955 . 0 0 "[ ]" 1 1027 1 64 LEU HA 1 64 LEU MD2 2.500 . 3.800 2.287 2.287 2.287 . 0 0 "[ ]" 1 1028 1 64 LEU HA 1 64 LEU HB3 2.500 . 2.800 2.515 2.515 2.515 . 0 0 "[ ]" 1 1029 1 64 LEU HA 1 67 GLN HB3 3.000 . 3.300 3.352 3.352 3.352 0.052 1 0 "[ ]" 1 1030 1 64 LEU HA 1 67 GLN HB2 3.000 . 3.300 2.027 2.027 2.027 . 0 0 "[ ]" 1 1031 1 64 LEU HA 1 68 HIS HE1 4.000 . 4.300 4.027 4.027 4.027 . 0 0 "[ ]" 1 1032 1 64 LEU HB3 1 64 LEU MD2 3.000 . 4.300 2.204 2.204 2.204 . 0 0 "[ ]" 1 1033 1 64 LEU HA 1 64 LEU MD1 4.000 . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 1 1034 1 64 LEU HB2 1 64 LEU MD1 2.500 . 3.800 2.032 2.032 2.032 . 0 0 "[ ]" 1 1035 1 64 LEU HB3 1 64 LEU MD1 2.500 . 3.800 2.698 2.698 2.698 . 0 0 "[ ]" 1 1036 1 65 TYR HA 1 68 HIS HB2 4.000 . 4.300 3.116 3.116 3.116 . 0 0 "[ ]" 1 1037 1 65 TYR HA 1 65 TYR HD1 4.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 1 1038 1 65 TYR HB3 1 65 TYR HD2 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1 1039 1 65 TYR HB2 1 65 TYR HD1 3.000 . 3.300 2.494 2.494 2.494 . 0 0 "[ ]" 1 1040 1 65 TYR HD2 1 66 ASN HA 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 1 1041 1 65 TYR HD2 1 72 ALA MB 4.000 . 5.300 3.859 3.859 3.859 . 0 0 "[ ]" 1 1042 1 65 TYR HD2 1 75 ALA HA 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 1 1043 1 65 TYR HE2 1 72 ALA MB 2.500 . 3.800 3.115 3.115 3.115 . 0 0 "[ ]" 1 1044 1 65 TYR HE2 1 74 ALA MB 3.000 . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 1 1045 1 66 ASN HA 1 72 ALA MB 4.000 . 5.300 2.779 2.779 2.779 . 0 0 "[ ]" 1 1046 1 68 HIS HA 1 68 HIS HD2 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1 1047 1 68 HIS HB3 1 68 HIS HD2 2.500 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1 1048 1 68 HIS HB2 1 68 HIS HD2 4.000 . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 1 1049 1 64 LEU MD2 1 68 HIS HE1 2.500 . 3.800 1.811 1.811 1.811 . 0 0 "[ ]" 1 1050 1 64 LEU MD1 1 68 HIS HE1 3.000 . 4.300 3.354 3.354 3.354 . 0 0 "[ ]" 1 1051 1 69 ASN HA 1 69 ASN HB3 3.000 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 1 1052 1 69 ASN HA 1 70 PRO HD3 2.500 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 1 1053 1 69 ASN HA 1 70 PRO HD2 2.500 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 1 1054 1 66 ASN HB2 1 72 ALA MB 4.000 . 5.300 4.193 4.193 4.193 . 0 0 "[ ]" 1 1055 1 69 ASN HB3 1 72 ALA MB 3.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 1 1056 1 69 ASN HB2 1 72 ALA MB 3.000 . 4.300 2.335 2.335 2.335 . 0 0 "[ ]" 1 1057 1 62 LEU MD2 1 75 ALA HA 3.000 . 4.300 2.830 2.830 2.830 . 0 0 "[ ]" 1 1058 1 62 LEU MD1 1 76 PRO HA 4.000 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1 1059 1 76 PRO QB 1 111 CYS QB 4.000 . 6.300 2.940 2.940 2.940 . 0 0 "[ ]" 1 1060 1 75 ALA HA 1 76 PRO QD 2.500 . 3.800 2.301 2.301 2.301 . 0 0 "[ ]" 1 1061 1 78 CYS HA 1 111 CYS HA 2.500 . 2.800 2.109 2.109 2.109 . 0 0 "[ ]" 1 1062 1 79 VAL HA 1 79 VAL MG1 3.000 . 4.300 2.495 2.495 2.495 . 0 0 "[ ]" 1 1063 1 79 VAL MG1 1 112 SER HB3 3.000 . 4.300 2.680 2.680 2.680 . 0 0 "[ ]" 1 1064 1 79 VAL MG1 1 112 SER HB2 3.000 . 4.300 3.203 3.203 3.203 . 0 0 "[ ]" 1 1065 1 79 VAL MG2 1 112 SER HB3 3.000 . 4.300 3.140 3.140 3.140 . 0 0 "[ ]" 1 1066 1 79 VAL MG2 1 112 SER HB2 3.000 . 4.300 2.624 2.624 2.624 . 0 0 "[ ]" 1 1067 1 80 PRO HA 1 83 LEU MD2 4.000 . 5.300 4.300 4.300 4.300 . 0 0 "[ ]" 1 1068 1 80 PRO HA 1 106 VAL MG1 3.000 . 4.300 2.858 2.858 2.858 . 0 0 "[ ]" 1 1069 1 80 PRO HA 1 106 VAL MG2 3.000 . 4.300 3.438 3.438 3.438 . 0 0 "[ ]" 1 1070 1 80 PRO HA 1 109 CYS HB3 4.000 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 1 1071 1 80 PRO HA 1 109 CYS HA 2.500 . 2.800 2.080 2.080 2.080 . 0 0 "[ ]" 1 1072 1 79 VAL HA 1 80 PRO QD 2.500 . 3.800 2.038 2.038 2.038 . 0 0 "[ ]" 1 1073 1 83 LEU HA 1 83 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1 1074 1 83 LEU HA 1 83 LEU HB3 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1 1075 1 83 LEU HA 1 83 LEU MD2 3.000 . 4.300 2.374 2.374 2.374 . 0 0 "[ ]" 1 1076 1 83 LEU HA 1 83 LEU MD1 4.000 . 5.300 3.825 3.825 3.825 . 0 0 "[ ]" 1 1077 1 83 LEU HA 1 106 VAL HA 2.500 . 2.800 2.198 2.198 2.198 . 0 0 "[ ]" 1 1078 1 80 PRO HB3 1 83 LEU MD2 2.500 . 3.800 3.077 3.077 3.077 . 0 0 "[ ]" 1 1079 1 80 PRO HB2 1 83 LEU MD2 2.500 . 3.800 2.117 2.117 2.117 . 0 0 "[ ]" 1 1080 1 80 PRO QG 1 83 LEU MD2 3.000 . 5.300 2.760 2.760 2.760 . 0 0 "[ ]" 1 1081 1 83 LEU HB3 1 83 LEU MD2 3.000 . 4.300 2.066 2.066 2.066 . 0 0 "[ ]" 1 1082 1 83 LEU MD2 1 106 VAL HA 2.500 . 3.800 1.898 1.898 1.898 . 0 0 "[ ]" 1 1083 1 83 LEU MD2 1 106 VAL MG1 4.000 . 6.300 3.296 3.296 3.296 . 0 0 "[ ]" 1 1084 1 83 LEU MD2 1 106 VAL MG2 2.500 . 4.800 1.850 1.850 1.850 . 0 0 "[ ]" 1 1085 1 83 LEU HB3 1 83 LEU MD1 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 1 1086 1 83 LEU HB2 1 83 LEU MD1 3.000 . 4.300 2.080 2.080 2.080 . 0 0 "[ ]" 1 1087 1 83 LEU MD1 1 103 ASN HB3 2.500 . 3.800 1.835 1.835 1.835 . 0 0 "[ ]" 1 1088 1 83 LEU MD1 1 103 ASN HB2 3.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 1 1089 1 85 PRO HA 1 102 SER HA 3.000 . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1 1090 1 85 PRO QB 1 102 SER QB 4.000 . 6.300 4.182 4.182 4.182 . 0 0 "[ ]" 1 1091 1 85 PRO QG 1 102 SER HA 4.000 . 5.300 4.447 4.447 4.447 . 0 0 "[ ]" 1 1092 1 84 GLU HA 1 85 PRO QD 2.500 . 3.800 1.956 1.956 1.956 . 0 0 "[ ]" 1 1093 1 86 LEU HA 1 86 LEU MD1 2.500 . 3.800 2.629 2.629 2.629 . 0 0 "[ ]" 1 1094 1 86 LEU HA 1 105 ILE MD 4.000 . 5.300 2.686 2.686 2.686 . 0 0 "[ ]" 1 1095 1 86 LEU MD1 1 105 ILE MD 3.000 . 5.300 3.106 3.106 3.106 . 0 0 "[ ]" 1 1096 1 33 ILE MD 1 86 LEU MD1 4.000 . 6.300 4.321 4.321 4.321 . 0 0 "[ ]" 1 1097 1 86 LEU MD1 1 101 LEU MD1 4.000 . 6.300 3.917 3.917 3.917 . 0 0 "[ ]" 1 1098 1 86 LEU MD1 1 104 MET ME 4.000 . 6.300 3.205 3.205 3.205 . 0 0 "[ ]" 1 1099 1 24 PHE HE1 1 86 LEU MD2 4.000 . 5.300 3.102 3.102 3.102 . 0 0 "[ ]" 1 1100 1 36 PRO QG 1 86 LEU MD2 4.500 . 6.800 4.553 4.553 4.553 . 0 0 "[ ]" 1 1101 1 86 LEU MD2 1 88 ILE MG 2.500 . 4.800 1.722 1.722 1.722 0.078 1 0 "[ ]" 1 1102 1 86 LEU MD2 1 101 LEU MD1 2.500 . 4.800 1.713 1.713 1.713 0.087 1 0 "[ ]" 1 1103 1 86 LEU MD2 1 104 MET ME 2.500 . 4.800 1.865 1.865 1.865 . 0 0 "[ ]" 1 1104 1 87 PRO HA 1 100 GLN HA 2.500 . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1 1105 1 87 PRO HA 1 98 VAL QG 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 1106 1 87 PRO HA 1 100 GLN QG 3.000 . 4.300 2.417 2.417 2.417 . 0 0 "[ ]" 1 1107 1 86 LEU HA 1 87 PRO QD 2.500 . 3.800 1.876 1.876 1.876 . 0 0 "[ ]" 1 1108 1 33 ILE MG 1 88 ILE HA 4.000 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1 1109 1 36 PRO QD 1 88 ILE HA 2.500 . 3.800 1.838 1.838 1.838 . 0 0 "[ ]" 1 1110 1 88 ILE HA 1 88 ILE HB 3.000 . 3.300 2.368 2.368 2.368 . 0 0 "[ ]" 1 1111 1 88 ILE HA 1 88 ILE MG 3.000 . 4.300 2.546 2.546 2.546 . 0 0 "[ ]" 1 1112 1 88 ILE HA 1 88 ILE MD 4.000 . 5.300 4.125 4.125 4.125 . 0 0 "[ ]" 1 1113 1 33 ILE MG 1 88 ILE HB 3.000 . 4.300 2.472 2.472 2.472 . 0 0 "[ ]" 1 1114 1 88 ILE HB 1 88 ILE MD 3.000 . 4.300 2.389 2.389 2.389 . 0 0 "[ ]" 1 1115 1 88 ILE MD 1 88 ILE MG 3.000 . 5.300 1.822 1.822 1.822 . 0 0 "[ ]" 1 1116 1 88 ILE MG 1 101 LEU MD1 2.500 . 4.800 2.470 2.470 2.470 . 0 0 "[ ]" 1 1117 1 88 ILE MG 1 101 LEU MD2 3.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 1 1118 1 32 TRP HH2 1 88 ILE MD 2.500 . 3.800 2.551 2.551 2.551 . 0 0 "[ ]" 1 1119 1 33 ILE HA 1 88 ILE MD 4.000 . 5.300 3.802 3.802 3.802 . 0 0 "[ ]" 1 1120 1 33 ILE HB 1 88 ILE MD 4.000 . 5.300 4.205 4.205 4.205 . 0 0 "[ ]" 1 1121 1 33 ILE HG13 1 88 ILE MD 3.000 . 4.300 3.023 3.023 3.023 . 0 0 "[ ]" 1 1122 1 33 ILE HG12 1 88 ILE MD 2.500 . 3.800 1.820 1.820 1.820 . 0 0 "[ ]" 1 1123 1 33 ILE MG 1 88 ILE MD 2.500 . 4.800 2.853 2.853 2.853 . 0 0 "[ ]" 1 1124 1 88 ILE MD 1 90 TYR HB3 4.000 . 5.300 3.514 3.514 3.514 . 0 0 "[ ]" 1 1125 1 88 ILE MD 1 90 TYR HD1 2.500 . 3.800 1.902 1.902 1.902 . 0 0 "[ ]" 1 1126 1 88 ILE MD 1 90 TYR HE1 3.000 . 4.300 2.149 2.149 2.149 . 0 0 "[ ]" 1 1127 1 88 ILE MD 1 101 LEU HG 3.000 . 4.300 2.055 2.055 2.055 . 0 0 "[ ]" 1 1128 1 88 ILE MD 1 101 LEU MD2 2.500 . 4.800 1.832 1.832 1.832 . 0 0 "[ ]" 1 1129 1 88 ILE MD 1 101 LEU MD1 2.500 . 4.800 2.450 2.450 2.450 . 0 0 "[ ]" 1 1130 1 89 VAL HA 1 98 VAL HA 2.500 . 2.800 1.897 1.897 1.897 . 0 0 "[ ]" 1 1131 1 88 ILE MD 1 89 VAL HA 4.000 . 5.300 4.509 4.509 4.509 . 0 0 "[ ]" 1 1132 1 89 VAL HA 1 89 VAL MG1 2.500 . 3.800 2.137 2.137 2.137 . 0 0 "[ ]" 1 1133 1 89 VAL HA 1 89 VAL MG2 2.500 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 1 1134 1 89 VAL HA 1 90 TYR HD1 4.000 . 4.300 3.581 3.581 3.581 . 0 0 "[ ]" 1 1135 1 89 VAL HA 1 98 VAL QG 3.000 . 5.000 2.614 2.614 2.614 . 0 0 "[ ]" 1 1136 1 34 HIS HD2 1 89 VAL MG1 3.000 . 4.300 3.275 3.275 3.275 . 0 0 "[ ]" 1 1137 1 89 VAL MG1 1 96 PRO QB 4.000 . 6.300 3.199 3.199 3.199 . 0 0 "[ ]" 1 1138 1 34 HIS HD2 1 89 VAL MG2 4.000 . 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 1 1139 1 33 ILE MG 1 90 TYR HA 4.000 . 5.300 4.246 4.246 4.246 . 0 0 "[ ]" 1 1140 1 89 VAL MG1 1 90 TYR HA 4.000 . 5.300 4.046 4.046 4.046 . 0 0 "[ ]" 1 1141 1 90 TYR HA 1 90 TYR HB3 3.000 . 3.300 2.323 2.323 2.323 . 0 0 "[ ]" 1 1142 1 90 TYR HA 1 91 TYR HD1 4.000 . 4.300 3.442 3.442 3.442 . 0 0 "[ ]" 1 1143 1 33 ILE MG 1 90 TYR HD1 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 1 1144 1 33 ILE QG 1 90 TYR HD1 3.000 . 4.300 2.712 2.712 2.712 . 0 0 "[ ]" 1 1145 1 88 ILE HG13 1 90 TYR HD1 3.000 . 3.300 1.816 1.816 1.816 . 0 0 "[ ]" 1 1146 1 88 ILE HG12 1 90 TYR HD1 4.000 . 4.300 3.182 3.182 3.182 . 0 0 "[ ]" 1 1147 1 90 TYR HB3 1 90 TYR HD1 3.000 . 3.300 2.486 2.486 2.486 . 0 0 "[ ]" 1 1148 1 90 TYR HD1 1 99 GLU HB2 4.000 . 4.300 4.243 4.243 4.243 . 0 0 "[ ]" 1 1149 1 90 TYR HB2 1 90 TYR HD2 3.000 . 3.300 2.406 2.406 2.406 . 0 0 "[ ]" 1 1150 1 90 TYR HD2 1 92 VAL MG2 3.000 . 4.300 2.483 2.483 2.483 . 0 0 "[ ]" 1 1151 1 90 TYR HD2 1 97 LYS QB 4.000 . 5.300 3.815 3.815 3.815 . 0 0 "[ ]" 1 1152 1 90 TYR HD2 1 97 LYS QG 4.000 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1 1153 1 32 TRP HZ3 1 90 TYR HE2 4.000 . 4.300 4.363 4.363 4.363 0.063 1 0 "[ ]" 1 1154 1 90 TYR HE2 1 92 VAL MG2 2.500 . 3.800 2.806 2.806 2.806 . 0 0 "[ ]" 1 1155 1 90 TYR HE2 1 97 LYS HB3 4.000 . 4.300 4.313 4.313 4.313 0.013 1 0 "[ ]" 1 1156 1 90 TYR HE2 1 97 LYS HB2 4.000 . 4.300 3.044 3.044 3.044 . 0 0 "[ ]" 1 1157 1 90 TYR HE2 1 97 LYS QG 4.000 . 5.300 4.120 4.120 4.120 . 0 0 "[ ]" 1 1158 1 90 TYR HE2 1 97 LYS QD 4.000 . 5.300 4.354 4.354 4.354 . 0 0 "[ ]" 1 1159 1 32 TRP HZ3 1 90 TYR HE1 4.000 . 4.300 3.530 3.530 3.530 . 0 0 "[ ]" 1 1160 1 88 ILE HG13 1 90 TYR HE1 3.000 . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 1 1161 1 90 TYR HE1 1 99 GLU HB2 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 1 1162 1 90 TYR HE1 1 99 GLU HB3 2.500 . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1 1163 1 90 TYR HE1 1 99 GLU QG 3.000 . 4.300 3.756 3.756 3.756 . 0 0 "[ ]" 1 1164 1 91 TYR HA 1 91 TYR HB3 2.500 . 2.800 2.688 2.688 2.688 . 0 0 "[ ]" 1 1165 1 91 TYR HA 1 91 TYR HD2 4.000 . 4.300 3.056 3.056 3.056 . 0 0 "[ ]" 1 1166 1 91 TYR HA 1 91 TYR HD1 4.000 . 4.300 3.599 3.599 3.599 . 0 0 "[ ]" 1 1167 1 91 TYR HA 1 96 PRO HA 2.500 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1 1168 1 34 HIS QB 1 91 TYR HD1 3.000 . 4.300 2.951 2.951 2.951 . 0 0 "[ ]" 1 1169 1 91 TYR HB2 1 91 TYR HD1 3.000 . 3.300 2.436 2.436 2.436 . 0 0 "[ ]" 1 1170 1 91 TYR HB3 1 91 TYR HD2 3.000 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 1 1171 1 91 TYR HD2 1 94 ARG HA 3.000 . 3.300 3.235 3.235 3.235 . 0 0 "[ ]" 1 1172 1 91 TYR HD2 1 95 LYS HA 4.000 . 4.300 4.238 4.238 4.238 . 0 0 "[ ]" 1 1173 1 91 TYR HD2 1 96 PRO HA 3.000 . 3.300 3.374 3.374 3.374 0.074 1 0 "[ ]" 1 1174 1 34 HIS HB3 1 91 TYR HE1 4.000 . 4.300 3.973 3.973 3.973 . 0 0 "[ ]" 1 1175 1 34 HIS HB2 1 91 TYR HE1 4.000 . 4.300 3.878 3.878 3.878 . 0 0 "[ ]" 1 1176 1 89 VAL MG1 1 91 TYR HE1 4.000 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1 1177 1 91 TYR HE1 1 96 PRO QB 3.000 . 4.300 3.409 3.409 3.409 . 0 0 "[ ]" 1 1178 1 91 TYR HE2 1 94 ARG HA 4.000 . 4.300 4.368 4.368 4.368 0.068 1 0 "[ ]" 1 1179 1 91 TYR HE2 1 95 LYS HA 4.000 . 4.300 4.201 4.201 4.201 . 0 0 "[ ]" 1 1180 1 91 TYR HE2 1 96 PRO HA 4.000 . 4.300 3.881 3.881 3.881 . 0 0 "[ ]" 1 1181 1 91 TYR HE2 1 96 PRO QB 3.000 . 4.300 2.788 2.788 2.788 . 0 0 "[ ]" 1 1182 1 91 TYR HE2 1 96 PRO QG 4.000 . 5.300 2.857 2.857 2.857 . 0 0 "[ ]" 1 1183 1 91 TYR HE2 1 96 PRO QD 3.000 . 4.300 2.549 2.549 2.549 . 0 0 "[ ]" 1 1184 1 91 TYR QB 1 92 VAL HA 4.000 . 5.300 4.135 4.135 4.135 . 0 0 "[ ]" 1 1185 1 92 VAL HA 1 92 VAL MG1 2.500 . 3.800 2.186 2.186 2.186 . 0 0 "[ ]" 1 1186 1 92 VAL HA 1 92 VAL MG2 2.500 . 3.800 2.655 2.655 2.655 . 0 0 "[ ]" 1 1187 1 92 VAL HB 1 95 LYS QB 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 1 1188 1 94 ARG HA 1 94 ARG HB2 3.000 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1 1189 1 94 ARG HA 1 94 ARG HB3 2.500 . 2.800 2.435 2.435 2.435 . 0 0 "[ ]" 1 1190 1 89 VAL MG1 1 96 PRO HA 4.000 . 5.300 4.242 4.242 4.242 . 0 0 "[ ]" 1 1191 1 91 TYR QB 1 96 PRO HA 4.000 . 5.300 4.068 4.068 4.068 . 0 0 "[ ]" 1 1192 1 95 LYS HA 1 96 PRO QD 2.500 . 3.800 1.870 1.870 1.870 . 0 0 "[ ]" 1 1193 1 89 VAL MG1 1 98 VAL HA 4.000 . 5.300 2.907 2.907 2.907 . 0 0 "[ ]" 1 1194 1 89 VAL MG2 1 98 VAL HA 3.000 . 4.300 2.705 2.705 2.705 . 0 0 "[ ]" 1 1195 1 98 VAL HA 1 98 VAL HB 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1 1196 1 98 VAL HA 1 98 VAL QG 2.500 . 4.500 2.063 2.063 2.063 . 0 0 "[ ]" 1 1197 1 99 GLU HA 1 99 GLU HB2 3.000 . 3.300 2.833 2.833 2.833 . 0 0 "[ ]" 1 1198 1 99 GLU HA 1 99 GLU HB3 2.500 . 2.800 2.861 2.861 2.861 0.061 1 0 "[ ]" 1 1199 1 101 LEU HA 1 101 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1 1200 1 101 LEU HA 1 101 LEU HB3 2.500 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1 1201 1 101 LEU HA 1 101 LEU MD1 4.000 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 1 1202 1 101 LEU HA 1 101 LEU MD2 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 1 1203 1 101 LEU HB2 1 101 LEU MD1 3.000 . 4.300 2.596 2.596 2.596 . 0 0 "[ ]" 1 1204 1 101 LEU HB3 1 101 LEU MD1 3.000 . 4.300 2.065 2.065 2.065 . 0 0 "[ ]" 1 1205 1 88 ILE MG 1 101 LEU HB2 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 1 1206 1 88 ILE MD 1 101 LEU HB2 4.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1 1207 1 88 ILE MG 1 101 LEU HG 2.500 . 3.800 2.119 2.119 2.119 . 0 0 "[ ]" 1 1208 1 24 PHE HE1 1 101 LEU MD1 4.000 . 5.300 3.181 3.181 3.181 . 0 0 "[ ]" 1 1209 1 32 TRP HH2 1 101 LEU MD1 3.000 . 4.300 1.961 1.961 1.961 . 0 0 "[ ]" 1 1210 1 32 TRP HZ2 1 101 LEU MD1 2.500 . 3.800 2.078 2.078 2.078 . 0 0 "[ ]" 1 1211 1 101 LEU MD1 1 104 MET ME 2.500 . 4.800 1.890 1.890 1.890 . 0 0 "[ ]" 1 1212 1 32 TRP HH2 1 101 LEU MD2 2.500 . 3.800 1.819 1.819 1.819 . 0 0 "[ ]" 1 1213 1 32 TRP HZ2 1 101 LEU MD2 4.000 . 5.300 3.556 3.556 3.556 . 0 0 "[ ]" 1 1214 1 88 ILE HG13 1 101 LEU MD2 4.000 . 5.300 4.279 4.279 4.279 . 0 0 "[ ]" 1 1215 1 101 LEU HB3 1 101 LEU MD2 3.000 . 4.300 2.569 2.569 2.569 . 0 0 "[ ]" 1 1216 1 101 LEU MD2 1 104 MET ME 4.000 . 6.300 4.197 4.197 4.197 . 0 0 "[ ]" 1 1217 1 85 PRO QB 1 102 SER HA 3.000 . 4.300 2.573 2.573 2.573 . 0 0 "[ ]" 1 1218 1 83 LEU HA 1 103 ASN HA 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 1 1219 1 83 LEU HB3 1 103 ASN HA 2.500 . 2.800 1.992 1.992 1.992 . 0 0 "[ ]" 1 1220 1 83 LEU HB2 1 103 ASN HA 2.500 . 2.800 2.279 2.279 2.279 . 0 0 "[ ]" 1 1221 1 83 LEU MD2 1 103 ASN HA 3.000 . 4.300 3.458 3.458 3.458 . 0 0 "[ ]" 1 1222 1 83 LEU MD1 1 103 ASN HA 3.000 . 4.300 2.872 2.872 2.872 . 0 0 "[ ]" 1 1223 1 30 TRP HZ3 1 104 MET ME 4.000 . 5.300 1.777 1.777 1.777 0.023 1 0 "[ ]" 1 1224 1 41 ALA MB 1 105 ILE HA 4.000 . 5.300 3.659 3.659 3.659 . 0 0 "[ ]" 1 1225 1 105 ILE HA 1 105 ILE MG 3.000 . 4.300 2.349 2.349 2.349 . 0 0 "[ ]" 1 1226 1 105 ILE HA 1 105 ILE MD 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1 1227 1 84 GLU HB2 1 105 ILE HB 2.500 . 2.800 1.871 1.871 1.871 . 0 0 "[ ]" 1 1228 1 84 GLU HB3 1 105 ILE HB 3.000 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 1 1229 1 39 TYR QB 1 105 ILE MD 4.000 . 6.300 3.144 3.144 3.144 . 0 0 "[ ]" 1 1230 1 84 GLU HB3 1 105 ILE MD 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1 1231 1 84 GLU HB2 1 105 ILE MD 3.000 . 4.300 3.024 3.024 3.024 . 0 0 "[ ]" 1 1232 1 105 ILE HB 1 105 ILE MD 3.000 . 4.300 2.309 2.309 2.309 . 0 0 "[ ]" 1 1233 1 105 ILE MD 1 105 ILE MG 2.500 . 4.800 1.865 1.865 1.865 . 0 0 "[ ]" 1 1234 1 41 ALA HA 1 105 ILE MG 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 1 1235 1 84 GLU HB3 1 105 ILE MG 4.000 . 5.300 3.237 3.237 3.237 . 0 0 "[ ]" 1 1236 1 84 GLU HB2 1 105 ILE MG 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 1 1237 1 105 ILE MG 1 106 VAL MG1 4.000 . 6.300 4.229 4.229 4.229 . 0 0 "[ ]" 1 1238 1 106 VAL HA 1 106 VAL HB 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 1 1239 1 80 PRO QB 1 106 VAL HB 4.000 . 5.300 3.965 3.965 3.965 . 0 0 "[ ]" 1 1240 1 42 ASN QB 1 106 VAL MG1 2.500 . 4.800 2.566 2.566 2.566 . 0 0 "[ ]" 1 1241 1 80 PRO QB 1 106 VAL MG1 3.000 . 5.300 2.448 2.448 2.448 . 0 0 "[ ]" 1 1242 1 106 VAL HA 1 106 VAL MG1 3.000 . 4.300 2.529 2.529 2.529 . 0 0 "[ ]" 1 1243 1 42 ASN HB3 1 106 VAL MG2 3.000 . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 1 1244 1 42 ASN HB2 1 106 VAL MG2 3.000 . 4.300 3.567 3.567 3.567 . 0 0 "[ ]" 1 1245 1 80 PRO QB 1 106 VAL MG2 2.500 . 4.800 1.669 1.669 1.669 0.131 1 0 "[ ]" 1 1246 1 80 PRO QG 1 106 VAL MG2 3.000 . 5.300 2.726 2.726 2.726 . 0 0 "[ ]" 1 1247 1 106 VAL HA 1 106 VAL MG2 2.500 . 3.800 2.175 2.175 2.175 . 0 0 "[ ]" 1 1248 1 4 THR MG 1 107 ARG HA 3.000 . 4.300 2.460 2.460 2.460 . 0 0 "[ ]" 1 1249 1 80 PRO QB 1 109 CYS HA 4.000 . 5.300 3.999 3.999 3.999 . 0 0 "[ ]" 1 1250 1 106 VAL MG1 1 109 CYS HA 4.000 . 5.300 3.837 3.837 3.837 . 0 0 "[ ]" 1 1251 1 109 CYS HA 1 109 CYS HB3 2.500 . 2.800 2.508 2.508 2.508 . 0 0 "[ ]" 1 1252 1 53 SER QB 1 110 LYS HA 4.000 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1 1253 1 2 LEU MD1 1 110 LYS HA 3.000 . 4.300 2.848 2.848 2.848 . 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 1253 _Distance_constraint_stats_list.Viol_count 123 _Distance_constraint_stats_list.Viol_total 5.456 _Distance_constraint_stats_list.Viol_max 0.186 _Distance_constraint_stats_list.Viol_rms 0.0181 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0044 _Distance_constraint_stats_list.Viol_average_violations_only 0.0444 _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 2 1 ALA 0.000 0.000 . 0 "[ ]" 2 2 LEU 0.109 0.070 1 0 "[ ]" 2 3 ASP 0.159 0.070 1 0 "[ ]" 2 4 THR 0.024 0.024 1 0 "[ ]" 2 5 ASN 0.005 0.005 1 0 "[ ]" 2 6 TYR 0.152 0.066 1 0 "[ ]" 2 7 CYS 0.043 0.038 1 0 "[ ]" 2 8 PHE 0.010 0.010 1 0 "[ ]" 2 9 SER 0.000 0.000 . 0 "[ ]" 2 10 SER 0.000 0.000 . 0 "[ ]" 2 11 THR 0.002 0.002 1 0 "[ ]" 2 12 GLU 0.002 0.002 1 0 "[ ]" 2 13 LYS 0.000 0.000 . 0 "[ ]" 2 14 ASN 0.000 0.000 . 0 "[ ]" 2 15 CYS 0.029 0.029 1 0 "[ ]" 2 16 CYS 0.000 0.000 . 0 "[ ]" 2 17 VAL 0.038 0.038 1 0 "[ ]" 2 18 ARG 0.000 0.000 . 0 "[ ]" 2 19 GLN 0.024 0.013 1 0 "[ ]" 2 20 LEU 0.023 0.023 1 0 "[ ]" 2 21 TYR 0.159 0.048 1 0 "[ ]" 2 22 ILE 0.029 0.014 1 0 "[ ]" 2 23 ASP 0.121 0.073 1 0 "[ ]" 2 24 PHE 0.163 0.085 1 0 "[ ]" 2 25 ARG 0.056 0.056 1 0 "[ ]" 2 26 LYS 0.175 0.082 1 0 "[ ]" 2 27 ASP 0.325 0.167 1 0 "[ ]" 2 28 LEU 0.031 0.031 1 0 "[ ]" 2 29 GLY 0.031 0.031 1 0 "[ ]" 2 30 TRP 0.182 0.057 1 0 "[ ]" 2 31 LYS 0.246 0.186 1 0 "[ ]" 2 32 TRP 0.335 0.062 1 0 "[ ]" 2 33 ILE 0.245 0.057 1 0 "[ ]" 2 34 HIS 0.015 0.015 1 0 "[ ]" 2 35 GLU 0.004 0.004 1 0 "[ ]" 2 36 PRO 0.042 0.042 1 0 "[ ]" 2 37 LYS 0.249 0.172 1 0 "[ ]" 2 38 GLY 0.147 0.045 1 0 "[ ]" 2 39 TYR 0.048 0.020 1 0 "[ ]" 2 40 HIS 0.030 0.030 1 0 "[ ]" 2 41 ALA 0.025 0.014 1 0 "[ ]" 2 42 ASN 0.000 0.000 . 0 "[ ]" 2 43 PHE 0.083 0.059 1 0 "[ ]" 2 44 CYS 0.000 0.000 . 0 "[ ]" 2 45 LEU 0.068 0.059 1 0 "[ ]" 2 46 GLY 0.008 0.008 1 0 "[ ]" 2 47 PRO 0.024 0.024 1 0 "[ ]" 2 48 CYS 0.024 0.024 1 0 "[ ]" 2 49 PRO 0.000 0.000 . 0 "[ ]" 2 50 TYR 0.000 0.000 . 0 "[ ]" 2 51 ILE 0.067 0.053 1 0 "[ ]" 2 52 TRP 0.137 0.053 1 0 "[ ]" 2 53 SER 0.000 0.000 . 0 "[ ]" 2 54 LEU 0.160 0.143 1 0 "[ ]" 2 55 ASP 0.001 0.001 1 0 "[ ]" 2 56 THR 0.006 0.006 1 0 "[ ]" 2 57 GLN 0.000 0.000 . 0 "[ ]" 2 58 TYR 0.006 0.006 1 0 "[ ]" 2 59 SER 0.004 0.004 1 0 "[ ]" 2 60 LYS 0.143 0.143 1 0 "[ ]" 2 61 VAL 0.000 0.000 . 0 "[ ]" 2 62 LEU 0.004 0.004 1 0 "[ ]" 2 63 ALA 0.041 0.026 1 0 "[ ]" 2 64 LEU 0.137 0.071 1 0 "[ ]" 2 65 TYR 0.117 0.071 1 0 "[ ]" 2 66 ASN 0.220 0.119 1 0 "[ ]" 2 67 GLN 0.242 0.088 1 0 "[ ]" 2 68 HIS 0.277 0.119 1 0 "[ ]" 2 69 ASN 0.017 0.012 1 0 "[ ]" 2 70 PRO 0.000 0.000 . 0 "[ ]" 2 71 GLY 0.000 0.000 . 0 "[ ]" 2 72 ALA 0.076 0.070 1 0 "[ ]" 2 73 SER 0.070 0.070 1 0 "[ ]" 2 74 ALA 0.000 0.000 . 0 "[ ]" 2 75 ALA 0.033 0.033 1 0 "[ ]" 2 76 PRO 0.016 0.016 1 0 "[ ]" 2 77 CYS 0.016 0.016 1 0 "[ ]" 2 78 CYS 0.000 0.000 . 0 "[ ]" 2 79 VAL 0.164 0.156 1 0 "[ ]" 2 80 PRO 0.130 0.130 1 0 "[ ]" 2 81 GLN 0.000 0.000 . 0 "[ ]" 2 82 ALA 0.025 0.025 1 0 "[ ]" 2 83 LEU 0.210 0.094 1 0 "[ ]" 2 84 GLU 0.137 0.094 1 0 "[ ]" 2 85 PRO 0.010 0.010 1 0 "[ ]" 2 86 LEU 0.363 0.087 1 0 "[ ]" 2 87 PRO 0.000 0.000 . 0 "[ ]" 2 88 ILE 0.217 0.115 1 0 "[ ]" 2 89 VAL 0.115 0.115 1 0 "[ ]" 2 90 TYR 0.218 0.062 1 0 "[ ]" 2 91 TYR 0.376 0.102 1 0 "[ ]" 2 92 VAL 0.116 0.092 1 0 "[ ]" 2 93 GLY 0.000 0.000 . 0 "[ ]" 2 94 ARG 0.256 0.120 1 0 "[ ]" 2 95 LYS 0.206 0.120 1 0 "[ ]" 2 96 PRO 0.073 0.073 1 0 "[ ]" 2 97 LYS 0.028 0.016 1 0 "[ ]" 2 98 VAL 0.000 0.000 . 0 "[ ]" 2 99 GLU 0.226 0.110 1 0 "[ ]" 2 100 GLN 0.314 0.110 1 0 "[ ]" 2 101 LEU 0.292 0.103 1 0 "[ ]" 2 102 SER 0.078 0.078 1 0 "[ ]" 2 103 ASN 0.093 0.074 1 0 "[ ]" 2 104 MET 0.136 0.074 1 0 "[ ]" 2 105 ILE 0.174 0.102 1 0 "[ ]" 2 106 VAL 0.149 0.130 1 0 "[ ]" 2 107 ARG 0.025 0.025 1 0 "[ ]" 2 108 SER 0.000 0.000 . 0 "[ ]" 2 109 CYS 0.000 0.000 . 0 "[ ]" 2 110 LYS 0.000 0.000 . 0 "[ ]" 2 111 CYS 0.025 0.016 1 0 "[ ]" 2 112 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 2 1 ALA HA 2 2 LEU H 2.500 . 2.800 2.227 2.227 2.227 . 0 0 "[ ]" 2 2 2 1 ALA MB 2 2 LEU H 3.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 2 3 2 2 LEU H 2 2 LEU HB2 3.000 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 2 4 2 2 LEU H 2 2 LEU HB3 4.000 . 4.300 3.717 3.717 3.717 . 0 0 "[ ]" 2 5 2 2 LEU H 2 2 LEU HG 3.000 . 3.300 2.340 2.340 2.340 . 0 0 "[ ]" 2 6 2 2 LEU HA 2 3 ASP H 2.500 . 2.800 2.510 2.510 2.510 . 0 0 "[ ]" 2 7 2 2 LEU HB2 2 3 ASP H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2 8 2 2 LEU HB3 2 3 ASP H 4.000 . 4.300 4.339 4.339 4.339 0.039 1 0 "[ ]" 2 9 2 2 LEU MD2 2 3 ASP H 4.000 . 5.300 3.910 3.910 3.910 . 0 0 "[ ]" 2 10 2 3 ASP H 2 3 ASP HB3 3.000 . 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 2 11 2 3 ASP H 2 6 TYR H 4.000 . 4.300 3.224 3.224 3.224 . 0 0 "[ ]" 2 12 2 3 ASP H 2 6 TYR HB3 3.000 . 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2 13 2 3 ASP H 2 6 TYR HD2 4.000 . 4.300 3.967 3.967 3.967 . 0 0 "[ ]" 2 14 2 3 ASP H 2 7 CYS H 4.000 . 4.300 3.930 3.930 3.930 . 0 0 "[ ]" 2 15 2 3 ASP HA 2 4 THR H 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 2 16 2 3 ASP HB2 2 4 THR H 2.500 . 2.800 1.874 1.874 1.874 . 0 0 "[ ]" 2 17 2 3 ASP HB3 2 4 THR H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2 18 2 4 THR H 2 4 THR MG 2.500 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 2 19 2 4 THR H 2 17 VAL MG1 4.000 . 5.300 2.836 2.836 2.836 . 0 0 "[ ]" 2 20 2 4 THR H 2 17 VAL MG2 4.000 . 5.300 4.203 4.203 4.203 . 0 0 "[ ]" 2 21 2 4 THR H 2 108 SER HA 4.000 . 4.300 3.229 3.229 3.229 . 0 0 "[ ]" 2 22 2 5 ASN H 2 6 TYR H 3.000 . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 2 23 2 3 ASP QB 2 6 TYR H 4.000 . 5.300 4.089 4.089 4.089 . 0 0 "[ ]" 2 24 2 5 ASN HA 2 6 TYR H 4.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 2 25 2 5 ASN QB 2 6 TYR H 3.000 . 4.300 2.558 2.558 2.558 . 0 0 "[ ]" 2 26 2 6 TYR H 2 6 TYR HB2 2.500 . 2.800 2.860 2.860 2.860 0.060 1 0 "[ ]" 2 27 2 6 TYR H 2 6 TYR HB3 2.500 . 2.800 2.323 2.323 2.323 . 0 0 "[ ]" 2 28 2 6 TYR H 2 6 TYR HD2 4.000 . 4.300 4.366 4.366 4.366 0.066 1 0 "[ ]" 2 29 2 6 TYR H 2 7 CYS H 3.000 . 3.300 2.357 2.357 2.357 . 0 0 "[ ]" 2 30 2 4 THR HA 2 7 CYS H 4.000 . 4.300 3.562 3.562 3.562 . 0 0 "[ ]" 2 31 2 5 ASN HA 2 7 CYS H 4.000 . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 2 32 2 6 TYR HA 2 7 CYS H 4.000 . 4.300 3.470 3.470 3.470 . 0 0 "[ ]" 2 33 2 6 TYR HB2 2 7 CYS H 4.000 . 4.300 4.228 4.228 4.228 . 0 0 "[ ]" 2 34 2 6 TYR HB3 2 7 CYS H 3.000 . 3.300 3.084 3.084 3.084 . 0 0 "[ ]" 2 35 2 6 TYR HD2 2 7 CYS H 4.000 . 4.300 3.849 3.849 3.849 . 0 0 "[ ]" 2 36 2 7 CYS H 2 7 CYS HB2 3.000 . 3.300 2.402 2.402 2.402 . 0 0 "[ ]" 2 37 2 7 CYS H 2 7 CYS HB3 4.000 . 4.300 3.642 3.642 3.642 . 0 0 "[ ]" 2 38 2 7 CYS H 2 8 PHE H 3.000 . 3.300 2.274 2.274 2.274 . 0 0 "[ ]" 2 39 2 7 CYS H 2 17 VAL MG1 4.000 . 5.300 3.330 3.330 3.330 . 0 0 "[ ]" 2 40 2 7 CYS HA 2 8 PHE H 4.000 . 4.300 3.460 3.460 3.460 . 0 0 "[ ]" 2 41 2 7 CYS HB3 2 8 PHE H 4.000 . 4.300 3.947 3.947 3.947 . 0 0 "[ ]" 2 42 2 7 CYS HB2 2 8 PHE H 3.000 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 2 43 2 8 PHE H 2 8 PHE HB2 2.500 . 2.800 2.231 2.231 2.231 . 0 0 "[ ]" 2 44 2 8 PHE H 2 8 PHE HD1 3.000 . 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 2 45 2 8 PHE H 2 9 SER H 3.000 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 2 46 2 8 PHE HA 2 9 SER H 3.000 . 3.300 2.966 2.966 2.966 . 0 0 "[ ]" 2 47 2 8 PHE HB2 2 9 SER H 4.000 . 4.300 4.165 4.165 4.165 . 0 0 "[ ]" 2 48 2 9 SER H 2 10 SER H 4.000 . 4.300 3.034 3.034 3.034 . 0 0 "[ ]" 2 49 2 10 SER HA 2 11 THR H 3.000 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 2 50 2 10 SER QB 2 11 THR H 2.500 . 3.800 2.261 2.261 2.261 . 0 0 "[ ]" 2 51 2 11 THR H 2 11 THR HA 3.000 . 3.300 2.979 2.979 2.979 . 0 0 "[ ]" 2 52 2 11 THR H 2 11 THR HB 3.000 . 3.300 3.230 3.230 3.230 . 0 0 "[ ]" 2 53 2 11 THR H 2 11 THR MG 3.000 . 4.300 3.613 3.613 3.613 . 0 0 "[ ]" 2 54 2 11 THR HA 2 12 GLU H 3.000 . 3.300 2.278 2.278 2.278 . 0 0 "[ ]" 2 55 2 11 THR HB 2 12 GLU H 3.000 . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 2 56 2 12 GLU H 2 12 GLU QB 3.000 . 4.300 2.731 2.731 2.731 . 0 0 "[ ]" 2 57 2 12 GLU HA 2 13 LYS H 3.000 . 3.300 2.422 2.422 2.422 . 0 0 "[ ]" 2 58 2 12 GLU QB 2 13 LYS H 3.000 . 4.300 3.202 3.202 3.202 . 0 0 "[ ]" 2 59 2 13 LYS H 2 13 LYS QB 2.500 . 3.800 2.915 2.915 2.915 . 0 0 "[ ]" 2 60 2 13 LYS H 2 13 LYS QG 4.000 . 5.300 2.346 2.346 2.346 . 0 0 "[ ]" 2 61 2 13 LYS H 2 14 ASN H 2.500 . 2.800 1.874 1.874 1.874 . 0 0 "[ ]" 2 62 2 12 GLU QB 2 14 ASN H 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 2 63 2 12 GLU QG 2 14 ASN H 3.000 . 4.300 2.614 2.614 2.614 . 0 0 "[ ]" 2 64 2 13 LYS HA 2 14 ASN H 4.000 . 4.300 3.546 3.546 3.546 . 0 0 "[ ]" 2 65 2 13 LYS QB 2 14 ASN H 3.000 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 2 66 2 13 LYS QG 2 14 ASN H 4.000 . 5.300 3.473 3.473 3.473 . 0 0 "[ ]" 2 67 2 14 ASN H 2 14 ASN HB2 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 2 68 2 14 ASN HA 2 15 CYS H 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2 69 2 14 ASN HB2 2 15 CYS H 3.000 . 3.300 2.245 2.245 2.245 . 0 0 "[ ]" 2 70 2 14 ASN HB3 2 15 CYS H 3.000 . 3.300 2.009 2.009 2.009 . 0 0 "[ ]" 2 71 2 15 CYS H 2 15 CYS HA 3.000 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 2 72 2 15 CYS H 2 15 CYS HB3 3.000 . 3.300 2.286 2.286 2.286 . 0 0 "[ ]" 2 73 2 15 CYS H 2 15 CYS HB2 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 2 74 2 15 CYS H 2 48 CYS HA 3.000 . 3.300 2.663 2.663 2.663 . 0 0 "[ ]" 2 75 2 15 CYS H 2 52 TRP HD1 3.000 . 3.300 3.286 3.286 3.286 . 0 0 "[ ]" 2 76 2 15 CYS HA 2 16 CYS H 2.500 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2 77 2 16 CYS H 2 45 LEU H 4.000 . 4.300 3.110 3.110 3.110 . 0 0 "[ ]" 2 78 2 2 LEU HA 2 17 VAL H 4.000 . 4.300 4.241 4.241 4.241 . 0 0 "[ ]" 2 79 2 7 CYS HB2 2 17 VAL H 4.000 . 4.300 3.388 3.388 3.388 . 0 0 "[ ]" 2 80 2 7 CYS HB3 2 17 VAL H 4.000 . 4.300 3.537 3.537 3.537 . 0 0 "[ ]" 2 81 2 16 CYS HA 2 17 VAL H 2.500 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 2 82 2 16 CYS QB 2 17 VAL H 4.000 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 2 83 2 17 VAL H 2 17 VAL HB 3.000 . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 2 84 2 17 VAL H 2 17 VAL MG1 2.500 . 3.800 2.226 2.226 2.226 . 0 0 "[ ]" 2 85 2 17 VAL H 2 17 VAL MG2 4.000 . 5.300 3.744 3.744 3.744 . 0 0 "[ ]" 2 86 2 17 VAL HA 2 18 ARG H 3.000 . 3.300 2.212 2.212 2.212 . 0 0 "[ ]" 2 87 2 17 VAL MG1 2 18 ARG H 4.000 . 5.300 3.762 3.762 3.762 . 0 0 "[ ]" 2 88 2 17 VAL MG2 2 18 ARG H 3.000 . 4.300 2.503 2.503 2.503 . 0 0 "[ ]" 2 89 2 18 ARG H 2 18 ARG QG 4.000 . 5.300 3.206 3.206 3.206 . 0 0 "[ ]" 2 90 2 18 ARG H 2 43 PHE H 4.000 . 4.300 3.177 3.177 3.177 . 0 0 "[ ]" 2 91 2 18 ARG H 2 44 CYS HA 3.000 . 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 2 92 2 8 PHE HE1 2 19 GLN H 3.000 . 3.300 2.345 2.345 2.345 . 0 0 "[ ]" 2 93 2 18 ARG HA 2 19 GLN H 3.000 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 2 94 2 18 ARG QG 2 19 GLN H 3.000 . 4.300 3.446 3.446 3.446 . 0 0 "[ ]" 2 95 2 18 ARG QD 2 19 GLN H 4.000 . 5.300 4.389 4.389 4.389 . 0 0 "[ ]" 2 96 2 19 GLN H 2 19 GLN HB3 2.500 . 2.800 2.430 2.430 2.430 . 0 0 "[ ]" 2 97 2 19 GLN H 2 19 GLN HB2 4.000 . 4.300 3.612 3.612 3.612 . 0 0 "[ ]" 2 98 2 19 GLN H 2 19 GLN QG 2.500 . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 2 99 2 19 GLN H 2 43 PHE HE1 4.000 . 4.300 3.586 3.586 3.586 . 0 0 "[ ]" 2 100 2 19 GLN HA 2 20 LEU H 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 2 101 2 19 GLN HB2 2 20 LEU H 4.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 2 102 2 20 LEU H 2 42 ASN H 3.000 . 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 2 103 2 20 LEU H 2 42 ASN HA 3.000 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 2 104 2 19 GLN HA 2 21 TYR H 4.000 . 4.300 4.313 4.313 4.313 0.013 1 0 "[ ]" 2 105 2 20 LEU HA 2 21 TYR H 2.500 . 2.800 2.800 2.800 2.800 0.000 1 0 "[ ]" 2 106 2 20 LEU MD1 2 21 TYR H 4.000 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 2 107 2 21 TYR H 2 21 TYR HA 3.000 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 2 108 2 21 TYR H 2 21 TYR HB2 2.500 . 2.800 2.610 2.610 2.610 . 0 0 "[ ]" 2 109 2 21 TYR H 2 21 TYR HB3 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 2 110 2 21 TYR HD1 2 22 ILE H 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2 111 2 21 TYR HD2 2 22 ILE H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2 112 2 21 TYR HA 2 22 ILE H 2.500 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 2 113 2 22 ILE H 2 22 ILE HB 3.000 . 3.300 2.665 2.665 2.665 . 0 0 "[ ]" 2 114 2 22 ILE H 2 22 ILE QG 3.000 . 4.300 2.728 2.728 2.728 . 0 0 "[ ]" 2 115 2 22 ILE H 2 22 ILE MG 4.000 . 5.300 3.877 3.877 3.877 . 0 0 "[ ]" 2 116 2 22 ILE H 2 39 TYR H 3.000 . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 2 117 2 22 ILE H 2 40 HIS HA 4.000 . 4.300 3.838 3.838 3.838 . 0 0 "[ ]" 2 118 2 22 ILE H 2 41 ALA MB 4.000 . 5.300 3.194 3.194 3.194 . 0 0 "[ ]" 2 119 2 22 ILE HA 2 23 ASP H 2.500 . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 2 120 2 22 ILE QG 2 23 ASP H 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 2 121 2 22 ILE MG 2 23 ASP H 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 2 122 2 23 ASP H 2 23 ASP HB3 3.000 . 3.300 2.465 2.465 2.465 . 0 0 "[ ]" 2 123 2 23 ASP H 2 23 ASP HB2 3.000 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 2 124 2 23 ASP H 2 27 ASP HB2 3.000 . 3.300 2.636 2.636 2.636 . 0 0 "[ ]" 2 125 2 23 ASP H 2 27 ASP H 4.000 . 4.300 3.231 3.231 3.231 . 0 0 "[ ]" 2 126 2 21 TYR HE1 2 24 PHE H 4.000 . 4.300 4.336 4.336 4.336 0.036 1 0 "[ ]" 2 127 2 23 ASP HA 2 24 PHE H 2.500 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 2 128 2 24 PHE H 2 24 PHE HA 3.000 . 3.300 2.573 2.573 2.573 . 0 0 "[ ]" 2 129 2 24 PHE H 2 24 PHE HB2 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 2 130 2 24 PHE H 2 24 PHE HB3 4.000 . 4.300 3.720 3.720 3.720 . 0 0 "[ ]" 2 131 2 24 PHE H 2 24 PHE HD2 3.000 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 2 132 2 24 PHE H 2 25 ARG H 4.000 . 4.300 3.495 3.495 3.495 . 0 0 "[ ]" 2 133 2 24 PHE H 2 38 GLY QA 2.500 . 3.800 1.849 1.849 1.849 . 0 0 "[ ]" 2 134 2 24 PHE HA 2 25 ARG H 4.000 . 4.300 3.595 3.595 3.595 . 0 0 "[ ]" 2 135 2 24 PHE HB2 2 25 ARG H 3.000 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 2 136 2 24 PHE HB3 2 25 ARG H 3.000 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 2 137 2 25 ARG H 2 25 ARG QB 2.500 . 3.800 2.297 2.297 2.297 . 0 0 "[ ]" 2 138 2 25 ARG H 2 26 LYS H 3.000 . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 2 139 2 25 ARG H 2 27 ASP H 4.000 . 4.300 4.356 4.356 4.356 0.056 1 0 "[ ]" 2 140 2 23 ASP HA 2 26 LYS H 4.000 . 4.300 4.373 4.373 4.373 0.073 1 0 "[ ]" 2 141 2 23 ASP QB 2 26 LYS H 3.000 . 4.300 2.765 2.765 2.765 . 0 0 "[ ]" 2 142 2 25 ARG HA 2 26 LYS H 4.000 . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 2 143 2 25 ARG QB 2 26 LYS H 2.500 . 3.800 2.632 2.632 2.632 . 0 0 "[ ]" 2 144 2 26 LYS H 2 26 LYS HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 2 145 2 26 LYS H 2 26 LYS HB2 3.000 . 3.300 2.209 2.209 2.209 . 0 0 "[ ]" 2 146 2 26 LYS H 2 26 LYS HB3 3.000 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 2 147 2 26 LYS H 2 27 ASP H 2.500 . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 2 148 2 22 ILE MG 2 27 ASP H 4.000 . 5.300 3.450 3.450 3.450 . 0 0 "[ ]" 2 149 2 23 ASP QB 2 27 ASP H 3.000 . 4.300 2.702 2.702 2.702 . 0 0 "[ ]" 2 150 2 26 LYS HB2 2 27 ASP H 3.000 . 3.300 3.382 3.382 3.382 0.082 1 0 "[ ]" 2 151 2 26 LYS HB3 2 27 ASP H 3.000 . 3.300 2.348 2.348 2.348 . 0 0 "[ ]" 2 152 2 27 ASP H 2 27 ASP HB2 3.000 . 3.300 2.163 2.163 2.163 . 0 0 "[ ]" 2 153 2 27 ASP H 2 27 ASP HB3 3.000 . 3.300 3.467 3.467 3.467 0.167 1 0 "[ ]" 2 154 2 27 ASP H 2 28 LEU H 2.500 . 2.800 2.620 2.620 2.620 . 0 0 "[ ]" 2 155 2 27 ASP H 2 29 GLY H 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 2 156 2 22 ILE MG 2 28 LEU H 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 2 157 2 24 PHE HA 2 28 LEU H 4.000 . 4.300 3.609 3.609 3.609 . 0 0 "[ ]" 2 158 2 27 ASP HB2 2 28 LEU H 2.500 . 2.800 2.591 2.591 2.591 . 0 0 "[ ]" 2 159 2 27 ASP HB3 2 28 LEU H 3.000 . 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 2 160 2 28 LEU H 2 28 LEU HB2 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 2 161 2 28 LEU H 2 28 LEU HB3 4.000 . 4.300 3.663 3.663 3.663 . 0 0 "[ ]" 2 162 2 28 LEU H 2 28 LEU HG 2.500 . 2.800 2.264 2.264 2.264 . 0 0 "[ ]" 2 163 2 28 LEU H 2 28 LEU MD2 4.000 . 5.300 3.089 3.089 3.089 . 0 0 "[ ]" 2 164 2 28 LEU H 2 29 GLY H 3.000 . 3.300 2.401 2.401 2.401 . 0 0 "[ ]" 2 165 2 25 ARG HA 2 29 GLY H 2.500 . 2.800 2.517 2.517 2.517 . 0 0 "[ ]" 2 166 2 28 LEU HA 2 29 GLY H 4.000 . 4.300 3.468 3.468 3.468 . 0 0 "[ ]" 2 167 2 28 LEU HB2 2 29 GLY H 3.000 . 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 2 168 2 28 LEU HB3 2 29 GLY H 4.000 . 4.300 4.093 4.093 4.093 . 0 0 "[ ]" 2 169 2 28 LEU HG 2 29 GLY H 4.000 . 4.300 4.331 4.331 4.331 0.031 1 0 "[ ]" 2 170 2 29 GLY H 2 29 GLY HA3 3.000 . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 2 171 2 29 GLY H 2 29 GLY HA2 2.500 . 2.800 2.359 2.359 2.359 . 0 0 "[ ]" 2 172 2 29 GLY H 2 30 TRP H 3.000 . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 2 173 2 25 ARG HA 2 30 TRP H 3.000 . 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 2 174 2 28 LEU HB3 2 30 TRP H 3.000 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 2 175 2 28 LEU HB2 2 30 TRP H 2.500 . 2.800 2.386 2.386 2.386 . 0 0 "[ ]" 2 176 2 29 GLY QA 2 30 TRP H 3.000 . 4.300 2.917 2.917 2.917 . 0 0 "[ ]" 2 177 2 30 TRP H 2 30 TRP HB2 3.000 . 3.300 2.300 2.300 2.300 . 0 0 "[ ]" 2 178 2 30 TRP H 2 30 TRP HB3 4.000 . 4.300 3.575 3.575 3.575 . 0 0 "[ ]" 2 179 2 30 TRP HA 2 31 LYS H 2.500 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 2 180 2 30 TRP HB3 2 31 LYS H 4.000 . 4.300 3.419 3.419 3.419 . 0 0 "[ ]" 2 181 2 31 LYS H 2 31 LYS HB3 3.000 . 3.300 3.486 3.486 3.486 0.186 1 0 "[ ]" 2 182 2 31 LYS H 2 31 LYS HB2 2.500 . 2.800 2.239 2.239 2.239 . 0 0 "[ ]" 2 183 2 31 LYS H 2 31 LYS QG 3.000 . 4.300 3.252 3.252 3.252 . 0 0 "[ ]" 2 184 2 31 LYS H 2 32 TRP H 2.500 . 2.800 2.090 2.090 2.090 . 0 0 "[ ]" 2 185 2 31 LYS H 2 32 TRP HD1 4.000 . 4.300 3.016 3.016 3.016 . 0 0 "[ ]" 2 186 2 30 TRP HA 2 32 TRP H 4.000 . 4.300 3.549 3.549 3.549 . 0 0 "[ ]" 2 187 2 30 TRP HB3 2 32 TRP H 4.000 . 4.300 3.224 3.224 3.224 . 0 0 "[ ]" 2 188 2 31 LYS HA 2 32 TRP H 4.000 . 4.300 3.409 3.409 3.409 . 0 0 "[ ]" 2 189 2 31 LYS HB2 2 32 TRP H 3.000 . 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 2 190 2 31 LYS HB3 2 32 TRP H 4.000 . 4.300 3.833 3.833 3.833 . 0 0 "[ ]" 2 191 2 32 TRP H 2 32 TRP HB3 3.000 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 2 192 2 32 TRP H 2 32 TRP HB2 4.000 . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 2 193 2 32 TRP H 2 32 TRP HE1 4.000 . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 2 194 2 32 TRP H 2 33 ILE HB 4.000 . 4.300 4.311 4.311 4.311 0.011 1 0 "[ ]" 2 195 2 32 TRP H 2 33 ILE QG 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 2 196 2 32 TRP H 2 33 ILE H 3.000 . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 2 197 2 31 LYS HA 2 33 ILE H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 2 198 2 32 TRP HA 2 33 ILE H 3.000 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 2 199 2 32 TRP HB3 2 33 ILE H 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 2 200 2 33 ILE H 2 33 ILE HA 3.000 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 2 201 2 33 ILE H 2 33 ILE HB 2.500 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 2 202 2 33 ILE H 2 33 ILE MG 4.000 . 5.300 3.687 3.687 3.687 . 0 0 "[ ]" 2 203 2 33 ILE H 2 33 ILE QG 2.500 . 3.800 3.271 3.271 3.271 . 0 0 "[ ]" 2 204 2 33 ILE H 2 33 ILE MD 4.000 . 5.300 4.163 4.163 4.163 . 0 0 "[ ]" 2 205 2 33 ILE HA 2 34 HIS H 2.500 . 2.800 2.189 2.189 2.189 . 0 0 "[ ]" 2 206 2 33 ILE MG 2 34 HIS H 3.000 . 4.300 2.692 2.692 2.692 . 0 0 "[ ]" 2 207 2 34 HIS H 2 34 HIS QB 2.500 . 3.800 2.256 2.256 2.256 . 0 0 "[ ]" 2 208 2 34 HIS H 2 35 GLU H 3.000 . 3.300 2.433 2.433 2.433 . 0 0 "[ ]" 2 209 2 34 HIS H 2 89 VAL H 4.000 . 4.300 3.770 3.770 3.770 . 0 0 "[ ]" 2 210 2 34 HIS H 2 90 TYR HA 3.000 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 2 211 2 34 HIS H 2 90 TYR HB2 4.000 . 4.300 4.315 4.315 4.315 0.015 1 0 "[ ]" 2 212 2 34 HIS H 2 90 TYR HB3 4.000 . 4.300 3.192 3.192 3.192 . 0 0 "[ ]" 2 213 2 33 ILE HA 2 35 GLU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2 214 2 33 ILE MG 2 35 GLU H 3.000 . 4.300 2.995 2.995 2.995 . 0 0 "[ ]" 2 215 2 34 HIS HA 2 35 GLU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2 216 2 34 HIS QB 2 35 GLU H 3.000 . 4.300 2.416 2.416 2.416 . 0 0 "[ ]" 2 217 2 35 GLU H 2 35 GLU HB2 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 2 218 2 35 GLU H 2 35 GLU HB3 4.000 . 4.300 3.683 3.683 3.683 . 0 0 "[ ]" 2 219 2 35 GLU H 2 89 VAL HB 3.000 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 2 220 2 35 GLU H 2 89 VAL MG1 4.000 . 5.300 4.080 4.080 4.080 . 0 0 "[ ]" 2 221 2 35 GLU H 2 89 VAL MG2 4.000 . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 2 222 2 35 GLU H 2 89 VAL H 3.000 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 2 223 2 36 PRO HA 2 37 LYS H 3.000 . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 2 224 2 36 PRO QB 2 37 LYS H 2.500 . 3.800 2.470 2.470 2.470 . 0 0 "[ ]" 2 225 2 36 PRO QG 2 37 LYS H 4.000 . 5.300 4.202 4.202 4.202 . 0 0 "[ ]" 2 226 2 37 LYS H 2 37 LYS HA 3.000 . 3.300 2.834 2.834 2.834 . 0 0 "[ ]" 2 227 2 37 LYS H 2 37 LYS HB2 2.500 . 2.800 2.148 2.148 2.148 . 0 0 "[ ]" 2 228 2 37 LYS H 2 37 LYS HB3 3.000 . 3.300 3.472 3.472 3.472 0.172 1 0 "[ ]" 2 229 2 37 LYS H 2 37 LYS QG 3.000 . 4.300 2.849 2.849 2.849 . 0 0 "[ ]" 2 230 2 37 LYS H 2 37 LYS QD 4.000 . 5.300 3.199 3.199 3.199 . 0 0 "[ ]" 2 231 2 37 LYS H 2 38 GLY H 2.500 . 2.800 2.655 2.655 2.655 . 0 0 "[ ]" 2 232 2 24 PHE HD2 2 38 GLY H 4.000 . 4.300 3.265 3.265 3.265 . 0 0 "[ ]" 2 233 2 24 PHE HE2 2 38 GLY H 4.000 . 4.300 4.327 4.327 4.327 0.027 1 0 "[ ]" 2 234 2 36 PRO HA 2 38 GLY H 4.000 . 4.300 4.342 4.342 4.342 0.042 1 0 "[ ]" 2 235 2 36 PRO QB 2 38 GLY H 2.500 . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 2 236 2 36 PRO QG 2 38 GLY H 4.000 . 5.300 3.418 3.418 3.418 . 0 0 "[ ]" 2 237 2 37 LYS HA 2 38 GLY H 4.000 . 4.300 3.525 3.525 3.525 . 0 0 "[ ]" 2 238 2 37 LYS HB2 2 38 GLY H 2.500 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 2 239 2 37 LYS HB3 2 38 GLY H 3.000 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 2 240 2 37 LYS QG 2 38 GLY H 4.000 . 5.300 4.377 4.377 4.377 . 0 0 "[ ]" 2 241 2 38 GLY H 2 38 GLY QA 2.500 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 2 242 2 21 TYR HE2 2 39 TYR H 4.000 . 4.300 3.403 3.403 3.403 . 0 0 "[ ]" 2 243 2 22 ILE HB 2 39 TYR H 4.000 . 4.300 3.995 3.995 3.995 . 0 0 "[ ]" 2 244 2 23 ASP HA 2 39 TYR H 4.000 . 4.300 3.736 3.736 3.736 . 0 0 "[ ]" 2 245 2 38 GLY QA 2 39 TYR H 2.500 . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 2 246 2 39 TYR H 2 39 TYR HA 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 2 247 2 39 TYR H 2 39 TYR HD1 3.000 . 3.300 2.550 2.550 2.550 . 0 0 "[ ]" 2 248 2 39 TYR HA 2 40 HIS H 2.500 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 2 249 2 39 TYR QB 2 40 HIS H 3.000 . 4.300 2.300 2.300 2.300 . 0 0 "[ ]" 2 250 2 39 TYR HD2 2 40 HIS H 4.000 . 4.300 2.916 2.916 2.916 . 0 0 "[ ]" 2 251 2 40 HIS H 2 40 HIS QB 3.000 . 4.300 2.423 2.423 2.423 . 0 0 "[ ]" 2 252 2 40 HIS H 2 105 ILE MG 4.000 . 5.300 4.291 4.291 4.291 . 0 0 "[ ]" 2 253 2 21 TYR HA 2 41 ALA H 3.000 . 3.300 2.377 2.377 2.377 . 0 0 "[ ]" 2 254 2 22 ILE H 2 41 ALA H 2.500 . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 2 255 2 40 HIS HA 2 41 ALA H 3.000 . 3.300 2.385 2.385 2.385 . 0 0 "[ ]" 2 256 2 41 ALA H 2 41 ALA MB 2.500 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 2 257 2 41 ALA H 2 42 ASN H 2.500 . 2.800 2.616 2.616 2.616 . 0 0 "[ ]" 2 258 2 20 LEU QB 2 42 ASN H 2.500 . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 2 259 2 40 HIS HA 2 42 ASN H 4.000 . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 2 260 2 41 ALA MB 2 42 ASN H 3.000 . 4.300 2.793 2.793 2.793 . 0 0 "[ ]" 2 261 2 17 VAL HA 2 43 PHE H 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 2 262 2 17 VAL MG2 2 43 PHE H 2.500 . 3.800 2.111 2.111 2.111 . 0 0 "[ ]" 2 263 2 17 VAL MG1 2 43 PHE H 4.000 . 5.300 4.396 4.396 4.396 . 0 0 "[ ]" 2 264 2 20 LEU MD2 2 43 PHE H 4.000 . 5.300 4.275 4.275 4.275 . 0 0 "[ ]" 2 265 2 42 ASN HA 2 43 PHE H 3.000 . 3.300 2.567 2.567 2.567 . 0 0 "[ ]" 2 266 2 42 ASN QB 2 43 PHE H 2.500 . 3.800 2.236 2.236 2.236 . 0 0 "[ ]" 2 267 2 43 PHE H 2 43 PHE HD1 3.000 . 3.300 2.079 2.079 2.079 . 0 0 "[ ]" 2 268 2 43 PHE H 2 106 VAL HB 4.000 . 4.300 3.959 3.959 3.959 . 0 0 "[ ]" 2 269 2 43 PHE H 2 106 VAL MG2 4.000 . 5.300 3.975 3.975 3.975 . 0 0 "[ ]" 2 270 2 20 LEU QB 2 43 PHE H 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2 271 2 43 PHE HA 2 44 CYS H 3.000 . 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 2 272 2 43 PHE QB 2 44 CYS H 2.500 . 3.800 2.138 2.138 2.138 . 0 0 "[ ]" 2 273 2 43 PHE HD2 2 44 CYS H 4.000 . 4.300 3.193 3.193 3.193 . 0 0 "[ ]" 2 274 2 44 CYS H 2 44 CYS HB2 3.000 . 3.300 3.049 3.049 3.049 . 0 0 "[ ]" 2 275 2 44 CYS H 2 44 CYS HB3 4.000 . 4.300 3.890 3.890 3.890 . 0 0 "[ ]" 2 276 2 18 ARG HE 2 45 LEU H 4.000 . 4.300 3.857 3.857 3.857 . 0 0 "[ ]" 2 277 2 18 ARG QG 2 45 LEU H 4.000 . 5.300 4.342 4.342 4.342 . 0 0 "[ ]" 2 278 2 44 CYS HA 2 45 LEU H 2.500 . 2.800 2.297 2.297 2.297 . 0 0 "[ ]" 2 279 2 44 CYS HB3 2 45 LEU H 4.000 . 4.300 3.059 3.059 3.059 . 0 0 "[ ]" 2 280 2 45 LEU H 2 45 LEU MD1 4.000 . 5.300 4.463 4.463 4.463 . 0 0 "[ ]" 2 281 2 45 LEU H 2 45 LEU MD2 4.000 . 5.300 3.913 3.913 3.913 . 0 0 "[ ]" 2 282 2 45 LEU H 2 45 LEU HB3 4.000 . 4.300 3.829 3.829 3.829 . 0 0 "[ ]" 2 283 2 45 LEU H 2 45 LEU HB2 3.000 . 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 2 284 2 45 LEU HA 2 46 GLY H 3.000 . 3.300 2.312 2.312 2.312 . 0 0 "[ ]" 2 285 2 45 LEU HB3 2 46 GLY H 2.500 . 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 2 286 2 45 LEU HB2 2 46 GLY H 4.000 . 4.300 4.012 4.012 4.012 . 0 0 "[ ]" 2 287 2 47 PRO HA 2 48 CYS H 2.500 . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 2 288 2 47 PRO QB 2 48 CYS H 2.500 . 3.800 1.903 1.903 1.903 . 0 0 "[ ]" 2 289 2 47 PRO QG 2 48 CYS H 4.000 . 5.300 3.671 3.671 3.671 . 0 0 "[ ]" 2 290 2 48 CYS H 2 48 CYS QB 2.500 . 3.800 3.306 3.306 3.306 . 0 0 "[ ]" 2 291 2 49 PRO HA 2 50 TYR H 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 2 292 2 49 PRO QB 2 50 TYR H 3.000 . 4.300 1.809 1.809 1.809 . 0 0 "[ ]" 2 293 2 50 TYR H 2 50 TYR QB 3.000 . 4.300 2.919 2.919 2.919 . 0 0 "[ ]" 2 294 2 50 TYR H 2 50 TYR HD1 3.000 . 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 2 295 2 49 PRO QG 2 52 TRP H 3.000 . 4.300 3.138 3.138 3.138 . 0 0 "[ ]" 2 296 2 51 ILE HA 2 52 TRP H 4.000 . 4.300 3.124 3.124 3.124 . 0 0 "[ ]" 2 297 2 51 ILE HB 2 52 TRP H 4.000 . 4.300 4.353 4.353 4.353 0.053 1 0 "[ ]" 2 298 2 51 ILE HG13 2 52 TRP H 3.000 . 3.300 3.313 3.313 3.313 0.013 1 0 "[ ]" 2 299 2 51 ILE MG 2 52 TRP H 4.000 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 2 300 2 52 TRP H 2 52 TRP HA 3.000 . 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 2 301 2 52 TRP H 2 52 TRP QB 2.500 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 2 302 2 53 SER HA 2 54 LEU H 2.500 . 2.800 2.441 2.441 2.441 . 0 0 "[ ]" 2 303 2 54 LEU H 2 54 LEU HB3 4.000 . 4.300 3.636 3.636 3.636 . 0 0 "[ ]" 2 304 2 54 LEU H 2 54 LEU HB2 2.500 . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 2 305 2 54 LEU H 2 54 LEU HG 2.500 . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 2 306 2 54 LEU H 2 54 LEU MD1 4.000 . 5.300 3.229 3.229 3.229 . 0 0 "[ ]" 2 307 2 54 LEU HA 2 55 ASP H 2.500 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 2 308 2 54 LEU HB3 2 55 ASP H 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2 309 2 54 LEU HB2 2 55 ASP H 4.000 . 4.300 4.156 4.156 4.156 . 0 0 "[ ]" 2 310 2 54 LEU MD2 2 55 ASP H 4.000 . 5.300 3.769 3.769 3.769 . 0 0 "[ ]" 2 311 2 55 ASP H 2 55 ASP QB 2.500 . 3.800 2.325 2.325 2.325 . 0 0 "[ ]" 2 312 2 55 ASP H 2 56 THR MG 4.000 . 5.300 4.079 4.079 4.079 . 0 0 "[ ]" 2 313 2 55 ASP H 2 56 THR H 3.000 . 3.300 2.697 2.697 2.697 . 0 0 "[ ]" 2 314 2 55 ASP H 2 59 SER QB 3.000 . 4.300 2.731 2.731 2.731 . 0 0 "[ ]" 2 315 2 55 ASP H 2 111 CYS HB2 4.000 . 4.300 3.477 3.477 3.477 . 0 0 "[ ]" 2 316 2 55 ASP H 2 111 CYS HB3 4.000 . 4.300 4.279 4.279 4.279 . 0 0 "[ ]" 2 317 2 55 ASP QB 2 56 THR H 2.500 . 3.800 2.013 2.013 2.013 . 0 0 "[ ]" 2 318 2 56 THR H 2 56 THR MG 2.500 . 3.800 1.931 1.931 1.931 . 0 0 "[ ]" 2 319 2 56 THR H 2 59 SER QB 3.000 . 4.300 3.147 3.147 3.147 . 0 0 "[ ]" 2 320 2 56 THR H 2 59 SER H 4.000 . 4.300 3.882 3.882 3.882 . 0 0 "[ ]" 2 321 2 56 THR HA 2 57 GLN H 3.000 . 3.300 2.473 2.473 2.473 . 0 0 "[ ]" 2 322 2 56 THR HB 2 57 GLN H 3.000 . 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 2 323 2 56 THR MG 2 57 GLN H 4.000 . 5.300 4.044 4.044 4.044 . 0 0 "[ ]" 2 324 2 57 GLN H 2 57 GLN QG 4.000 . 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 2 325 2 57 GLN H 2 58 TYR H 3.000 . 3.300 2.604 2.604 2.604 . 0 0 "[ ]" 2 326 2 56 THR HB 2 58 TYR H 3.000 . 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 2 327 2 57 GLN QB 2 58 TYR H 3.000 . 4.300 2.688 2.688 2.688 . 0 0 "[ ]" 2 328 2 58 TYR H 2 58 TYR HD2 4.000 . 4.300 4.230 4.230 4.230 . 0 0 "[ ]" 2 329 2 58 TYR H 2 59 SER H 3.000 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 2 330 2 58 TYR HA 2 59 SER H 4.000 . 4.300 3.378 3.378 3.378 . 0 0 "[ ]" 2 331 2 58 TYR QB 2 59 SER H 3.000 . 4.300 3.325 3.325 3.325 . 0 0 "[ ]" 2 332 2 58 TYR HD2 2 59 SER H 4.000 . 4.300 3.952 3.952 3.952 . 0 0 "[ ]" 2 333 2 59 SER H 2 60 LYS H 2.500 . 2.800 2.452 2.452 2.452 . 0 0 "[ ]" 2 334 2 54 LEU HB3 2 60 LYS H 4.000 . 4.300 3.358 3.358 3.358 . 0 0 "[ ]" 2 335 2 54 LEU MD1 2 60 LYS H 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 2 336 2 54 LEU MD2 2 60 LYS H 4.000 . 5.300 3.094 3.094 3.094 . 0 0 "[ ]" 2 337 2 57 GLN HA 2 60 LYS H 4.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 2 338 2 59 SER QB 2 60 LYS H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 2 339 2 60 LYS H 2 60 LYS QB 3.000 . 4.300 2.513 2.513 2.513 . 0 0 "[ ]" 2 340 2 60 LYS H 2 61 VAL MG2 4.000 . 5.300 4.225 4.225 4.225 . 0 0 "[ ]" 2 341 2 60 LYS H 2 61 VAL H 2.500 . 2.800 2.339 2.339 2.339 . 0 0 "[ ]" 2 342 2 58 TYR HA 2 61 VAL H 4.000 . 4.300 3.250 3.250 3.250 . 0 0 "[ ]" 2 343 2 60 LYS HA 2 61 VAL H 4.000 . 4.300 3.534 3.534 3.534 . 0 0 "[ ]" 2 344 2 60 LYS QB 2 61 VAL H 3.000 . 4.300 3.463 3.463 3.463 . 0 0 "[ ]" 2 345 2 60 LYS QG 2 61 VAL H 2.500 . 3.800 1.847 1.847 1.847 . 0 0 "[ ]" 2 346 2 61 VAL H 2 61 VAL HA 3.000 . 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 2 347 2 61 VAL H 2 61 VAL HB 2.500 . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 2 348 2 61 VAL H 2 61 VAL MG2 2.500 . 3.800 2.509 2.509 2.509 . 0 0 "[ ]" 2 349 2 61 VAL H 2 61 VAL MG1 3.000 . 4.300 3.704 3.704 3.704 . 0 0 "[ ]" 2 350 2 61 VAL H 2 62 LEU H 3.000 . 3.300 2.883 2.883 2.883 . 0 0 "[ ]" 2 351 2 58 TYR HA 2 62 LEU H 4.000 . 4.300 3.465 3.465 3.465 . 0 0 "[ ]" 2 352 2 59 SER HA 2 62 LEU H 4.000 . 4.300 4.304 4.304 4.304 0.004 1 0 "[ ]" 2 353 2 61 VAL HA 2 62 LEU H 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2 354 2 61 VAL HB 2 62 LEU H 3.000 . 3.300 2.303 2.303 2.303 . 0 0 "[ ]" 2 355 2 61 VAL MG1 2 62 LEU H 2.500 . 3.800 2.691 2.691 2.691 . 0 0 "[ ]" 2 356 2 61 VAL MG2 2 62 LEU H 4.000 . 5.300 3.856 3.856 3.856 . 0 0 "[ ]" 2 357 2 62 LEU H 2 62 LEU QB 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 2 358 2 62 LEU H 2 63 ALA H 3.000 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 2 359 2 60 LYS HA 2 63 ALA H 4.000 . 4.300 3.727 3.727 3.727 . 0 0 "[ ]" 2 360 2 62 LEU HA 2 63 ALA H 4.000 . 4.300 3.570 3.570 3.570 . 0 0 "[ ]" 2 361 2 62 LEU QB 2 63 ALA H 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 2 362 2 63 ALA H 2 63 ALA MB 3.000 . 4.300 2.211 2.211 2.211 . 0 0 "[ ]" 2 363 2 63 ALA H 2 64 LEU H 3.000 . 3.300 2.863 2.863 2.863 . 0 0 "[ ]" 2 364 2 50 TYR HD1 2 64 LEU H 4.000 . 4.300 3.459 3.459 3.459 . 0 0 "[ ]" 2 365 2 61 VAL HA 2 64 LEU H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 2 366 2 63 ALA HA 2 64 LEU H 4.000 . 4.300 3.532 3.532 3.532 . 0 0 "[ ]" 2 367 2 63 ALA MB 2 64 LEU H 3.000 . 4.300 2.708 2.708 2.708 . 0 0 "[ ]" 2 368 2 64 LEU H 2 64 LEU HB2 2.500 . 2.800 2.410 2.410 2.410 . 0 0 "[ ]" 2 369 2 64 LEU H 2 64 LEU HB3 4.000 . 4.300 3.640 3.640 3.640 . 0 0 "[ ]" 2 370 2 64 LEU H 2 64 LEU HG 3.000 . 3.300 2.602 2.602 2.602 . 0 0 "[ ]" 2 371 2 64 LEU H 2 64 LEU MD1 4.000 . 5.300 3.240 3.240 3.240 . 0 0 "[ ]" 2 372 2 64 LEU H 2 64 LEU MD2 4.000 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 2 373 2 64 LEU H 2 65 TYR H 3.000 . 3.300 2.229 2.229 2.229 . 0 0 "[ ]" 2 374 2 64 LEU H 2 66 ASN H 4.000 . 4.300 3.997 3.997 3.997 . 0 0 "[ ]" 2 375 2 62 LEU HA 2 65 TYR H 3.000 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 2 376 2 64 LEU HB2 2 65 TYR H 2.500 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2 377 2 64 LEU HB3 2 65 TYR H 4.000 . 4.300 3.788 3.788 3.788 . 0 0 "[ ]" 2 378 2 64 LEU HG 2 65 TYR H 4.000 . 4.300 4.371 4.371 4.371 0.071 1 0 "[ ]" 2 379 2 65 TYR H 2 65 TYR HB2 2.500 . 2.800 2.605 2.605 2.605 . 0 0 "[ ]" 2 380 2 65 TYR H 2 65 TYR HB3 2.500 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 2 381 2 65 TYR H 2 66 ASN H 3.000 . 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 2 382 2 62 LEU HA 2 66 ASN H 4.000 . 4.300 4.000 4.000 4.000 . 0 0 "[ ]" 2 383 2 63 ALA HA 2 66 ASN H 4.000 . 4.300 4.088 4.088 4.088 . 0 0 "[ ]" 2 384 2 65 TYR HB2 2 66 ASN H 4.000 . 4.300 4.021 4.021 4.021 . 0 0 "[ ]" 2 385 2 65 TYR HB3 2 66 ASN H 2.500 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 2 386 2 65 TYR HD2 2 66 ASN H 4.000 . 4.300 3.485 3.485 3.485 . 0 0 "[ ]" 2 387 2 66 ASN H 2 66 ASN HB2 2.500 . 2.800 2.409 2.409 2.409 . 0 0 "[ ]" 2 388 2 66 ASN H 2 66 ASN HB3 2.500 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2 389 2 66 ASN H 2 67 GLN H 3.000 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 2 390 2 63 ALA HA 2 67 GLN H 4.000 . 4.300 4.315 4.315 4.315 0.015 1 0 "[ ]" 2 391 2 64 LEU HA 2 67 GLN H 4.000 . 4.300 3.156 3.156 3.156 . 0 0 "[ ]" 2 392 2 66 ASN HB2 2 67 GLN H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 2 393 2 66 ASN HB3 2 67 GLN H 2.500 . 2.800 2.283 2.283 2.283 . 0 0 "[ ]" 2 394 2 67 GLN H 2 67 GLN HB2 2.500 . 2.800 2.192 2.192 2.192 . 0 0 "[ ]" 2 395 2 67 GLN H 2 67 GLN HB3 4.000 . 4.300 3.521 3.521 3.521 . 0 0 "[ ]" 2 396 2 67 GLN H 2 67 GLN QG 3.000 . 4.300 2.772 2.772 2.772 . 0 0 "[ ]" 2 397 2 67 GLN H 2 68 HIS H 3.000 . 3.300 2.717 2.717 2.717 . 0 0 "[ ]" 2 398 2 66 ASN HB3 2 68 HIS H 4.000 . 4.300 4.419 4.419 4.419 0.119 1 0 "[ ]" 2 399 2 67 GLN HA 2 68 HIS H 3.000 . 3.300 3.388 3.388 3.388 0.088 1 0 "[ ]" 2 400 2 67 GLN HB3 2 68 HIS H 4.000 . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 2 401 2 67 GLN HB2 2 68 HIS H 3.000 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 2 402 2 67 GLN QG 2 68 HIS H 4.000 . 5.300 4.503 4.503 4.503 . 0 0 "[ ]" 2 403 2 68 HIS H 2 68 HIS HB2 2.500 . 2.800 2.283 2.283 2.283 . 0 0 "[ ]" 2 404 2 68 HIS H 2 68 HIS HB3 4.000 . 4.300 3.542 3.542 3.542 . 0 0 "[ ]" 2 405 2 68 HIS H 2 69 ASN H 3.000 . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 2 406 2 66 ASN HA 2 69 ASN H 3.000 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 2 407 2 68 HIS HA 2 69 ASN H 4.000 . 4.300 3.552 3.552 3.552 . 0 0 "[ ]" 2 408 2 68 HIS HB2 2 69 ASN H 3.000 . 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 2 409 2 68 HIS HB3 2 69 ASN H 3.000 . 3.300 3.312 3.312 3.312 0.012 1 0 "[ ]" 2 410 2 69 ASN H 2 69 ASN HA 3.000 . 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 2 411 2 69 ASN H 2 69 ASN HB2 3.000 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 2 412 2 69 ASN H 2 69 ASN HB3 4.000 . 4.300 3.648 3.648 3.648 . 0 0 "[ ]" 2 413 2 69 ASN H 2 70 PRO QD 4.000 . 5.300 4.002 4.002 4.002 . 0 0 "[ ]" 2 414 2 70 PRO HA 2 71 GLY H 2.500 . 2.800 2.258 2.258 2.258 . 0 0 "[ ]" 2 415 2 70 PRO QB 2 71 GLY H 4.000 . 5.300 3.699 3.699 3.699 . 0 0 "[ ]" 2 416 2 71 GLY H 2 71 GLY HA2 2.500 . 2.800 2.525 2.525 2.525 . 0 0 "[ ]" 2 417 2 71 GLY H 2 71 GLY HA3 3.000 . 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 2 418 2 71 GLY H 2 72 ALA H 2.500 . 2.800 1.870 1.870 1.870 . 0 0 "[ ]" 2 419 2 69 ASN HB3 2 72 ALA H 4.000 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 2 420 2 69 ASN HB2 2 72 ALA H 4.000 . 4.300 4.302 4.302 4.302 0.002 1 0 "[ ]" 2 421 2 71 GLY HA3 2 72 ALA H 4.000 . 4.300 3.427 3.427 3.427 . 0 0 "[ ]" 2 422 2 71 GLY HA2 2 72 ALA H 4.000 . 4.300 3.130 3.130 3.130 . 0 0 "[ ]" 2 423 2 72 ALA H 2 72 ALA HA 3.000 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 2 424 2 72 ALA H 2 72 ALA MB 2.500 . 3.800 2.330 2.330 2.330 . 0 0 "[ ]" 2 425 2 72 ALA H 2 73 SER H 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2 426 2 72 ALA HA 2 73 SER H 2.500 . 2.800 2.170 2.170 2.170 . 0 0 "[ ]" 2 427 2 72 ALA MB 2 73 SER H 2.500 . 3.800 3.165 3.165 3.165 . 0 0 "[ ]" 2 428 2 73 SER H 2 73 SER HA 3.000 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 2 429 2 73 SER H 2 74 ALA MB 4.000 . 5.300 4.019 4.019 4.019 . 0 0 "[ ]" 2 430 2 73 SER H 2 74 ALA H 3.000 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 2 431 2 72 ALA MB 2 74 ALA H 3.000 . 4.300 2.532 2.532 2.532 . 0 0 "[ ]" 2 432 2 73 SER QB 2 74 ALA H 4.000 . 5.300 3.755 3.755 3.755 . 0 0 "[ ]" 2 433 2 74 ALA H 2 74 ALA MB 3.000 . 4.300 2.245 2.245 2.245 . 0 0 "[ ]" 2 434 2 74 ALA H 2 75 ALA H 4.000 . 4.300 2.666 2.666 2.666 . 0 0 "[ ]" 2 435 2 62 LEU MD1 2 75 ALA H 4.000 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 2 436 2 74 ALA HA 2 75 ALA H 3.000 . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 2 437 2 74 ALA MB 2 75 ALA H 3.000 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 2 438 2 75 ALA H 2 75 ALA MB 3.000 . 4.300 2.059 2.059 2.059 . 0 0 "[ ]" 2 439 2 76 PRO HA 2 77 CYS H 2.500 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 2 440 2 76 PRO QG 2 77 CYS H 4.000 . 5.300 3.661 3.661 3.661 . 0 0 "[ ]" 2 441 2 76 PRO QB 2 77 CYS H 3.000 . 4.300 1.906 1.906 1.906 . 0 0 "[ ]" 2 442 2 77 CYS H 2 112 SER H 4.000 . 4.300 3.985 3.985 3.985 . 0 0 "[ ]" 2 443 2 76 PRO QG 2 78 CYS H 4.000 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 2 444 2 77 CYS HA 2 78 CYS H 2.500 . 2.800 2.259 2.259 2.259 . 0 0 "[ ]" 2 445 2 77 CYS QB 2 78 CYS H 4.000 . 5.300 3.870 3.870 3.870 . 0 0 "[ ]" 2 446 2 78 CYS H 2 78 CYS HB2 2.500 . 2.800 2.453 2.453 2.453 . 0 0 "[ ]" 2 447 2 78 CYS H 2 78 CYS HB3 2.500 . 2.800 2.628 2.628 2.628 . 0 0 "[ ]" 2 448 2 78 CYS HA 2 79 VAL H 2.500 . 2.800 2.288 2.288 2.288 . 0 0 "[ ]" 2 449 2 78 CYS HB2 2 79 VAL H 4.000 . 4.300 4.270 4.270 4.270 . 0 0 "[ ]" 2 450 2 78 CYS HB3 2 79 VAL H 4.000 . 4.300 4.071 4.071 4.071 . 0 0 "[ ]" 2 451 2 79 VAL H 2 79 VAL HA 2.500 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 2 452 2 79 VAL H 2 79 VAL MG2 2.500 . 3.800 2.450 2.450 2.450 . 0 0 "[ ]" 2 453 2 79 VAL H 2 79 VAL MG1 3.000 . 4.300 2.632 2.632 2.632 . 0 0 "[ ]" 2 454 2 79 VAL H 2 110 LYS H 3.000 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 2 455 2 79 VAL H 2 111 CYS HA 3.000 . 3.300 3.308 3.308 3.308 0.008 1 0 "[ ]" 2 456 2 80 PRO HA 2 81 GLN H 3.000 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 2 457 2 80 PRO QB 2 81 GLN H 4.000 . 5.300 3.787 3.787 3.787 . 0 0 "[ ]" 2 458 2 81 GLN H 2 81 GLN HB2 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 2 459 2 81 GLN H 2 81 GLN HB3 3.000 . 3.300 2.345 2.345 2.345 . 0 0 "[ ]" 2 460 2 81 GLN H 2 81 GLN QG 3.000 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 2 461 2 81 GLN H 2 82 ALA H 3.000 . 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 2 462 2 81 GLN H 2 106 VAL MG1 4.000 . 5.300 4.255 4.255 4.255 . 0 0 "[ ]" 2 463 2 81 GLN H 2 109 CYS HA 3.000 . 3.300 2.135 2.135 2.135 . 0 0 "[ ]" 2 464 2 81 GLN HA 2 82 ALA H 4.000 . 4.300 3.582 3.582 3.582 . 0 0 "[ ]" 2 465 2 81 GLN HB2 2 82 ALA H 4.000 . 4.300 3.651 3.651 3.651 . 0 0 "[ ]" 2 466 2 81 GLN HB3 2 82 ALA H 2.500 . 2.800 2.157 2.157 2.157 . 0 0 "[ ]" 2 467 2 81 GLN QG 2 82 ALA H 3.000 . 4.300 2.519 2.519 2.519 . 0 0 "[ ]" 2 468 2 82 ALA H 2 82 ALA HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 2 469 2 82 ALA H 2 82 ALA MB 2.500 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 2 470 2 82 ALA H 2 107 ARG H 4.000 . 4.300 4.325 4.325 4.325 0.025 1 0 "[ ]" 2 471 2 82 ALA H 2 108 SER H 4.000 . 4.300 4.149 4.149 4.149 . 0 0 "[ ]" 2 472 2 82 ALA H 2 108 SER QB 4.000 . 5.300 3.236 3.236 3.236 . 0 0 "[ ]" 2 473 2 82 ALA HA 2 83 LEU H 2.500 . 2.800 2.261 2.261 2.261 . 0 0 "[ ]" 2 474 2 82 ALA MB 2 83 LEU H 3.000 . 4.300 2.989 2.989 2.989 . 0 0 "[ ]" 2 475 2 83 LEU H 2 83 LEU HB3 4.000 . 4.300 3.779 3.779 3.779 . 0 0 "[ ]" 2 476 2 83 LEU H 2 83 LEU HB2 3.000 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 2 477 2 83 LEU H 2 83 LEU HG 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2 478 2 83 LEU H 2 83 LEU MD2 4.000 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 2 479 2 83 LEU H 2 83 LEU MD1 4.000 . 5.300 3.547 3.547 3.547 . 0 0 "[ ]" 2 480 2 83 LEU H 2 84 GLU H 4.000 . 4.300 4.344 4.344 4.344 0.043 1 0 "[ ]" 2 481 2 83 LEU HA 2 84 GLU H 2.500 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 2 482 2 83 LEU HB3 2 84 GLU H 2.500 . 2.800 1.856 1.856 1.856 . 0 0 "[ ]" 2 483 2 83 LEU HB2 2 84 GLU H 4.000 . 4.300 3.063 3.063 3.063 . 0 0 "[ ]" 2 484 2 83 LEU HG 2 84 GLU H 4.000 . 4.300 4.394 4.394 4.394 0.094 1 0 "[ ]" 2 485 2 83 LEU MD2 2 84 GLU H 4.000 . 5.300 3.183 3.183 3.183 . 0 0 "[ ]" 2 486 2 83 LEU MD1 2 84 GLU H 4.000 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 2 487 2 84 GLU H 2 84 GLU HB2 2.500 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 2 488 2 84 GLU H 2 84 GLU HB3 4.000 . 4.300 3.671 3.671 3.671 . 0 0 "[ ]" 2 489 2 84 GLU H 2 103 ASN HA 3.000 . 3.300 2.683 2.683 2.683 . 0 0 "[ ]" 2 490 2 84 GLU H 2 104 MET H 4.000 . 4.300 3.863 3.863 3.863 . 0 0 "[ ]" 2 491 2 84 GLU H 2 105 ILE H 3.000 . 3.300 2.380 2.380 2.380 . 0 0 "[ ]" 2 492 2 84 GLU H 2 105 ILE HB 3.000 . 3.300 2.744 2.744 2.744 . 0 0 "[ ]" 2 493 2 84 GLU H 2 105 ILE MG 4.000 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 2 494 2 84 GLU H 2 106 VAL HA 4.000 . 4.300 3.876 3.876 3.876 . 0 0 "[ ]" 2 495 2 85 PRO HA 2 86 LEU H 2.500 . 2.800 2.810 2.810 2.810 0.010 1 0 "[ ]" 2 496 2 85 PRO QB 2 86 LEU H 2.500 . 3.800 1.946 1.946 1.946 . 0 0 "[ ]" 2 497 2 85 PRO QG 2 86 LEU H 4.000 . 5.300 3.725 3.725 3.725 . 0 0 "[ ]" 2 498 2 86 LEU H 2 86 LEU QB 2.500 . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 2 499 2 86 LEU H 2 100 GLN HA 4.000 . 4.300 3.186 3.186 3.186 . 0 0 "[ ]" 2 500 2 86 LEU H 2 100 GLN HB3 4.000 . 4.300 3.088 3.088 3.088 . 0 0 "[ ]" 2 501 2 86 LEU H 2 100 GLN HB2 4.000 . 4.300 4.318 4.318 4.318 0.018 1 0 "[ ]" 2 502 2 86 LEU H 2 100 GLN QG 4.000 . 5.300 4.615 4.615 4.615 . 0 0 "[ ]" 2 503 2 86 LEU H 2 101 LEU H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2 504 2 86 LEU H 2 101 LEU HB2 4.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 2 505 2 86 LEU H 2 102 SER HA 4.000 . 4.300 4.091 4.091 4.091 . 0 0 "[ ]" 2 506 2 87 PRO HA 2 88 ILE H 2.500 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 2 507 2 87 PRO QB 2 88 ILE H 3.000 . 4.300 3.656 3.656 3.656 . 0 0 "[ ]" 2 508 2 88 ILE H 2 88 ILE HG12 2.500 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 2 509 2 88 ILE H 2 88 ILE HG13 4.000 . 4.300 3.540 3.540 3.540 . 0 0 "[ ]" 2 510 2 88 ILE H 2 88 ILE MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 2 511 2 88 ILE H 2 88 ILE MD 4.000 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 2 512 2 88 ILE H 2 89 VAL MG2 4.000 . 5.300 4.214 4.214 4.214 . 0 0 "[ ]" 2 513 2 88 ILE H 2 99 GLU H 4.000 . 4.300 2.985 2.985 2.985 . 0 0 "[ ]" 2 514 2 88 ILE H 2 100 GLN HA 4.000 . 4.300 3.029 3.029 3.029 . 0 0 "[ ]" 2 515 2 33 ILE MG 2 89 VAL H 4.000 . 5.300 2.905 2.905 2.905 . 0 0 "[ ]" 2 516 2 88 ILE HA 2 89 VAL H 3.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 2 517 2 88 ILE HB 2 89 VAL H 3.000 . 3.300 1.947 1.947 1.947 . 0 0 "[ ]" 2 518 2 88 ILE HG13 2 89 VAL H 2.500 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 2 519 2 88 ILE HG12 2 89 VAL H 3.000 . 3.300 3.415 3.415 3.415 0.115 1 0 "[ ]" 2 520 2 88 ILE MG 2 89 VAL H 4.000 . 5.300 3.593 3.593 3.593 . 0 0 "[ ]" 2 521 2 88 ILE MD 2 89 VAL H 3.000 . 4.300 3.353 3.353 3.353 . 0 0 "[ ]" 2 522 2 89 VAL H 2 89 VAL HB 3.000 . 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 2 523 2 89 VAL H 2 89 VAL MG1 4.000 . 5.300 4.030 4.030 4.030 . 0 0 "[ ]" 2 524 2 89 VAL H 2 89 VAL MG2 2.500 . 3.800 3.004 3.004 3.004 . 0 0 "[ ]" 2 525 2 89 VAL HA 2 90 TYR H 2.500 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 2 526 2 89 VAL HB 2 90 TYR H 4.000 . 4.300 4.268 4.268 4.268 . 0 0 "[ ]" 2 527 2 89 VAL MG1 2 90 TYR H 2.500 . 3.800 2.968 2.968 2.968 . 0 0 "[ ]" 2 528 2 89 VAL MG2 2 90 TYR H 4.000 . 5.300 4.319 4.319 4.319 . 0 0 "[ ]" 2 529 2 90 TYR H 2 90 TYR HA 3.000 . 3.300 2.987 2.987 2.987 . 0 0 "[ ]" 2 530 2 90 TYR H 2 90 TYR HB2 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 2 531 2 90 TYR H 2 90 TYR HB3 3.000 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 2 532 2 90 TYR H 2 90 TYR HD1 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 2 533 2 90 TYR H 2 97 LYS H 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 2 534 2 90 TYR H 2 97 LYS QB 4.000 . 5.300 4.010 4.010 4.010 . 0 0 "[ ]" 2 535 2 90 TYR HA 2 91 TYR H 2.500 . 2.800 2.702 2.702 2.702 . 0 0 "[ ]" 2 536 2 90 TYR HB2 2 91 TYR H 2.500 . 2.800 1.934 1.934 1.934 . 0 0 "[ ]" 2 537 2 90 TYR HB3 2 91 TYR H 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 2 538 2 90 TYR HD2 2 91 TYR H 3.000 . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 2 539 2 91 TYR H 2 91 TYR HB3 4.000 . 4.300 3.589 3.589 3.589 . 0 0 "[ ]" 2 540 2 91 TYR H 2 91 TYR HB2 2.500 . 2.800 2.464 2.464 2.464 . 0 0 "[ ]" 2 541 2 91 TYR H 2 91 TYR HD1 3.000 . 3.300 3.402 3.402 3.402 0.102 1 0 "[ ]" 2 542 2 91 TYR H 2 92 VAL H 4.000 . 4.300 4.392 4.392 4.392 0.092 1 0 "[ ]" 2 543 2 91 TYR HA 2 92 VAL H 2.500 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 2 544 2 91 TYR QB 2 92 VAL H 3.000 . 4.300 3.131 3.131 3.131 . 0 0 "[ ]" 2 545 2 91 TYR HD2 2 92 VAL H 4.000 . 4.300 3.453 3.453 3.453 . 0 0 "[ ]" 2 546 2 92 VAL H 2 92 VAL HB 3.000 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 2 547 2 92 VAL H 2 92 VAL MG2 2.500 . 3.800 2.184 2.184 2.184 . 0 0 "[ ]" 2 548 2 92 VAL H 2 92 VAL MG1 4.000 . 5.300 3.873 3.873 3.873 . 0 0 "[ ]" 2 549 2 92 VAL H 2 93 GLY H 4.000 . 4.300 3.910 3.910 3.910 . 0 0 "[ ]" 2 550 2 92 VAL H 2 94 ARG H 4.000 . 4.300 4.283 4.283 4.283 . 0 0 "[ ]" 2 551 2 92 VAL H 2 95 LYS QB 3.000 . 4.300 3.933 3.933 3.933 . 0 0 "[ ]" 2 552 2 92 VAL H 2 95 LYS H 3.000 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2 553 2 92 VAL H 2 96 PRO HA 4.000 . 4.300 3.454 3.454 3.454 . 0 0 "[ ]" 2 554 2 92 VAL H 2 97 LYS QG 4.000 . 5.300 3.591 3.591 3.591 . 0 0 "[ ]" 2 555 2 91 TYR HB3 2 93 GLY H 4.000 . 4.300 3.946 3.946 3.946 . 0 0 "[ ]" 2 556 2 92 VAL HA 2 93 GLY H 2.500 . 2.800 2.267 2.267 2.267 . 0 0 "[ ]" 2 557 2 92 VAL HB 2 93 GLY H 4.000 . 4.300 4.266 4.266 4.266 . 0 0 "[ ]" 2 558 2 92 VAL MG1 2 93 GLY H 3.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 2 559 2 93 GLY H 2 93 GLY HA2 2.500 . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 2 560 2 93 GLY H 2 93 GLY HA3 3.000 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 2 561 2 93 GLY HA3 2 94 ARG H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 2 562 2 93 GLY HA2 2 94 ARG H 4.000 . 4.300 3.545 3.545 3.545 . 0 0 "[ ]" 2 563 2 94 ARG H 2 94 ARG HB3 4.000 . 4.300 3.895 3.895 3.895 . 0 0 "[ ]" 2 564 2 94 ARG H 2 94 ARG HB2 2.500 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 2 565 2 94 ARG H 2 94 ARG QG 2.500 . 3.800 2.962 2.962 2.962 . 0 0 "[ ]" 2 566 2 94 ARG H 2 94 ARG QD 4.000 . 5.300 4.707 4.707 4.707 . 0 0 "[ ]" 2 567 2 94 ARG H 2 95 LYS H 2.500 . 2.800 1.779 1.779 1.779 0.021 1 0 "[ ]" 2 568 2 91 TYR HD2 2 95 LYS H 4.000 . 4.300 3.835 3.835 3.835 . 0 0 "[ ]" 2 569 2 92 VAL MG2 2 95 LYS H 4.000 . 5.300 4.309 4.309 4.309 . 0 0 "[ ]" 2 570 2 94 ARG HA 2 95 LYS H 3.000 . 3.300 3.341 3.341 3.341 0.041 1 0 "[ ]" 2 571 2 94 ARG HB2 2 95 LYS H 3.000 . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 2 572 2 94 ARG HB3 2 95 LYS H 4.000 . 4.300 4.290 4.290 4.290 . 0 0 "[ ]" 2 573 2 94 ARG QG 2 95 LYS H 4.000 . 5.300 4.186 4.186 4.186 . 0 0 "[ ]" 2 574 2 95 LYS H 2 95 LYS HA 3.000 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 2 575 2 95 LYS H 2 95 LYS QB 2.500 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 2 576 2 95 LYS H 2 95 LYS QG 3.000 . 4.300 3.528 3.528 3.528 . 0 0 "[ ]" 2 577 2 89 VAL MG1 2 97 LYS H 3.000 . 4.300 3.314 3.314 3.314 . 0 0 "[ ]" 2 578 2 91 TYR HA 2 97 LYS H 4.000 . 4.300 3.232 3.232 3.232 . 0 0 "[ ]" 2 579 2 96 PRO HA 2 97 LYS H 2.500 . 2.800 2.278 2.278 2.278 . 0 0 "[ ]" 2 580 2 96 PRO QB 2 97 LYS H 3.000 . 4.300 3.206 3.206 3.206 . 0 0 "[ ]" 2 581 2 96 PRO QG 2 97 LYS H 4.000 . 5.300 4.728 4.728 4.728 . 0 0 "[ ]" 2 582 2 89 VAL MG1 2 98 VAL H 4.000 . 5.300 3.805 3.805 3.805 . 0 0 "[ ]" 2 583 2 97 LYS HA 2 98 VAL H 2.500 . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 2 584 2 97 LYS QB 2 98 VAL H 3.000 . 4.300 3.243 3.243 3.243 . 0 0 "[ ]" 2 585 2 97 LYS QG 2 98 VAL H 4.000 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 2 586 2 97 LYS QD 2 98 VAL H 4.000 . 5.300 4.687 4.687 4.687 . 0 0 "[ ]" 2 587 2 98 VAL H 2 98 VAL HA 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 2 588 2 98 VAL H 2 98 VAL HB 2.500 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 2 589 2 98 VAL H 2 98 VAL QG 2.500 . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 2 590 2 88 ILE HG12 2 99 GLU H 3.000 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 2 591 2 88 ILE HG13 2 99 GLU H 3.000 . 3.300 3.184 3.184 3.184 . 0 0 "[ ]" 2 592 2 88 ILE MG 2 99 GLU H 4.000 . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 2 593 2 89 VAL HA 2 99 GLU H 4.000 . 4.300 3.269 3.269 3.269 . 0 0 "[ ]" 2 594 2 98 VAL HA 2 99 GLU H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 2 595 2 98 VAL HB 2 99 GLU H 4.000 . 4.300 4.126 4.126 4.126 . 0 0 "[ ]" 2 596 2 98 VAL QG 2 99 GLU H 2.500 . 4.500 2.189 2.189 2.189 . 0 0 "[ ]" 2 597 2 99 GLU H 2 99 GLU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 2 598 2 99 GLU H 2 99 GLU HB2 3.000 . 3.300 2.633 2.633 2.633 . 0 0 "[ ]" 2 599 2 99 GLU H 2 99 GLU HB3 3.000 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 2 600 2 99 GLU H 2 99 GLU QG 4.000 . 5.300 3.962 3.962 3.962 . 0 0 "[ ]" 2 601 2 99 GLU HA 2 100 GLN H 3.000 . 3.300 2.816 2.816 2.816 . 0 0 "[ ]" 2 602 2 99 GLU HB2 2 100 GLN H 3.000 . 3.300 3.410 3.410 3.410 0.110 1 0 "[ ]" 2 603 2 99 GLU HB3 2 100 GLN H 2.500 . 2.800 1.866 1.866 1.866 . 0 0 "[ ]" 2 604 2 99 GLU QG 2 100 GLN H 3.000 . 4.300 2.699 2.699 2.699 . 0 0 "[ ]" 2 605 2 100 GLN H 2 100 GLN HB2 2.500 . 2.800 2.883 2.883 2.883 0.083 1 0 "[ ]" 2 606 2 100 GLN H 2 100 GLN HB3 4.000 . 4.300 3.935 3.935 3.935 . 0 0 "[ ]" 2 607 2 100 GLN H 2 100 GLN QG 3.000 . 4.300 2.882 2.882 2.882 . 0 0 "[ ]" 2 608 2 100 GLN H 2 101 LEU MD2 4.000 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 2 609 2 87 PRO HA 2 101 LEU H 4.000 . 4.300 4.042 4.042 4.042 . 0 0 "[ ]" 2 610 2 88 ILE MG 2 101 LEU H 3.000 . 4.300 2.843 2.843 2.843 . 0 0 "[ ]" 2 611 2 100 GLN HA 2 101 LEU H 2.500 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2 612 2 100 GLN HB2 2 101 LEU H 4.000 . 4.300 4.403 4.403 4.403 0.103 1 0 "[ ]" 2 613 2 100 GLN HB3 2 101 LEU H 4.000 . 4.300 4.180 4.180 4.180 . 0 0 "[ ]" 2 614 2 100 GLN QG 2 101 LEU H 4.000 . 5.300 4.476 4.476 4.476 . 0 0 "[ ]" 2 615 2 101 LEU H 2 101 LEU HB2 2.500 . 2.800 2.738 2.738 2.738 . 0 0 "[ ]" 2 616 2 101 LEU H 2 101 LEU HB3 4.000 . 4.300 3.630 3.630 3.630 . 0 0 "[ ]" 2 617 2 101 LEU H 2 101 LEU HG 2.500 . 2.800 2.069 2.069 2.069 . 0 0 "[ ]" 2 618 2 101 LEU H 2 101 LEU MD1 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 2 619 2 101 LEU H 2 101 LEU MD2 3.000 . 4.300 2.303 2.303 2.303 . 0 0 "[ ]" 2 620 2 101 LEU HA 2 102 SER H 2.500 . 2.800 2.241 2.241 2.241 . 0 0 "[ ]" 2 621 2 101 LEU HB3 2 102 SER H 2.500 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 2 622 2 101 LEU HB2 2 102 SER H 4.000 . 4.300 3.852 3.852 3.852 . 0 0 "[ ]" 2 623 2 101 LEU MD2 2 102 SER H 3.000 . 4.300 3.563 3.563 3.563 . 0 0 "[ ]" 2 624 2 102 SER H 2 102 SER HA 3.000 . 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 2 625 2 102 SER H 2 102 SER QB 2.500 . 3.800 2.496 2.496 2.496 . 0 0 "[ ]" 2 626 2 85 PRO HA 2 103 ASN H 3.000 . 3.300 2.611 2.611 2.611 . 0 0 "[ ]" 2 627 2 85 PRO QB 2 103 ASN H 4.000 . 5.300 3.626 3.626 3.626 . 0 0 "[ ]" 2 628 2 85 PRO QG 2 103 ASN H 4.000 . 5.300 4.792 4.792 4.792 . 0 0 "[ ]" 2 629 2 102 SER HA 2 103 ASN H 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 2 630 2 102 SER QB 2 103 ASN H 3.000 . 4.300 2.952 2.952 2.952 . 0 0 "[ ]" 2 631 2 103 ASN H 2 103 ASN HA 3.000 . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 2 632 2 103 ASN H 2 103 ASN HB2 4.000 . 4.300 3.430 3.430 3.430 . 0 0 "[ ]" 2 633 2 103 ASN H 2 103 ASN HB3 4.000 . 4.300 4.111 4.111 4.111 . 0 0 "[ ]" 2 634 2 103 ASN H 2 104 MET H 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 2 635 2 85 PRO HA 2 104 MET H 3.000 . 3.300 2.558 2.558 2.558 . 0 0 "[ ]" 2 636 2 103 ASN HA 2 104 MET H 3.000 . 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 2 637 2 103 ASN HB2 2 104 MET H 4.000 . 4.300 4.057 4.057 4.057 . 0 0 "[ ]" 2 638 2 103 ASN HB3 2 104 MET H 4.000 . 4.300 4.374 4.374 4.374 0.074 1 0 "[ ]" 2 639 2 104 MET H 2 105 ILE H 3.000 . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 2 640 2 83 LEU HA 2 105 ILE H 4.000 . 4.300 4.324 4.324 4.324 0.024 1 0 "[ ]" 2 641 2 83 LEU HB2 2 105 ILE H 4.000 . 4.300 4.329 4.329 4.329 0.029 1 0 "[ ]" 2 642 2 83 LEU MD2 2 105 ILE H 4.000 . 5.300 2.870 2.870 2.870 . 0 0 "[ ]" 2 643 2 103 ASN HA 2 105 ILE H 4.000 . 4.300 3.026 3.026 3.026 . 0 0 "[ ]" 2 644 2 104 MET HA 2 105 ILE H 4.000 . 4.300 3.058 3.058 3.058 . 0 0 "[ ]" 2 645 2 104 MET QB 2 105 ILE H 4.000 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 2 646 2 105 ILE H 2 105 ILE HB 3.000 . 3.300 2.925 2.925 2.925 . 0 0 "[ ]" 2 647 2 105 ILE H 2 105 ILE MG 4.000 . 5.300 3.953 3.953 3.953 . 0 0 "[ ]" 2 648 2 105 ILE H 2 105 ILE MD 4.000 . 5.300 4.434 4.434 4.434 . 0 0 "[ ]" 2 649 2 41 ALA HA 2 106 VAL H 4.000 . 4.300 3.448 3.448 3.448 . 0 0 "[ ]" 2 650 2 42 ASN QB 2 106 VAL H 3.000 . 4.300 2.819 2.819 2.819 . 0 0 "[ ]" 2 651 2 83 LEU MD2 2 106 VAL H 4.000 . 5.300 3.901 3.901 3.901 . 0 0 "[ ]" 2 652 2 105 ILE HA 2 106 VAL H 3.000 . 3.300 2.476 2.476 2.476 . 0 0 "[ ]" 2 653 2 105 ILE HB 2 106 VAL H 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 2 654 2 105 ILE MG 2 106 VAL H 2.500 . 3.800 1.782 1.782 1.782 0.018 1 0 "[ ]" 2 655 2 105 ILE MD 2 106 VAL H 4.000 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 2 656 2 106 VAL H 2 106 VAL HB 3.000 . 3.300 2.425 2.425 2.425 . 0 0 "[ ]" 2 657 2 106 VAL H 2 106 VAL MG1 3.000 . 4.300 3.702 3.702 3.702 . 0 0 "[ ]" 2 658 2 106 VAL H 2 106 VAL MG2 2.500 . 3.800 3.003 3.003 3.003 . 0 0 "[ ]" 2 659 2 82 ALA MB 2 107 ARG H 4.000 . 5.300 3.498 3.498 3.498 . 0 0 "[ ]" 2 660 2 83 LEU HA 2 107 ARG H 3.000 . 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 2 661 2 83 LEU MD2 2 107 ARG H 4.000 . 5.300 3.620 3.620 3.620 . 0 0 "[ ]" 2 662 2 106 VAL HA 2 107 ARG H 2.500 . 2.800 2.312 2.312 2.312 . 0 0 "[ ]" 2 663 2 106 VAL MG1 2 107 ARG H 3.000 . 4.300 2.161 2.161 2.161 . 0 0 "[ ]" 2 664 2 106 VAL MG2 2 107 ARG H 4.000 . 5.300 3.617 3.617 3.617 . 0 0 "[ ]" 2 665 2 107 ARG H 2 107 ARG QB 3.000 . 4.300 2.725 2.725 2.725 . 0 0 "[ ]" 2 666 2 107 ARG H 2 108 SER H 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 2 667 2 4 THR MG 2 108 SER H 4.000 . 5.300 3.265 3.265 3.265 . 0 0 "[ ]" 2 668 2 82 ALA MB 2 108 SER H 4.000 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 2 669 2 106 VAL HA 2 108 SER H 4.000 . 4.300 3.806 3.806 3.806 . 0 0 "[ ]" 2 670 2 106 VAL MG1 2 108 SER H 2.500 . 3.800 1.937 1.937 1.937 . 0 0 "[ ]" 2 671 2 106 VAL MG2 2 108 SER H 4.000 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 2 672 2 107 ARG HA 2 108 SER H 4.000 . 4.300 3.136 3.136 3.136 . 0 0 "[ ]" 2 673 2 107 ARG QB 2 108 SER H 3.000 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 2 674 2 2 LEU HB2 2 109 CYS H 4.000 . 4.300 3.939 3.939 3.939 . 0 0 "[ ]" 2 675 2 3 ASP HA 2 109 CYS H 3.000 . 3.300 2.424 2.424 2.424 . 0 0 "[ ]" 2 676 2 4 THR MG 2 109 CYS H 4.000 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 2 677 2 17 VAL HB 2 109 CYS H 4.000 . 4.300 3.196 3.196 3.196 . 0 0 "[ ]" 2 678 2 17 VAL MG1 2 109 CYS H 4.000 . 5.300 3.947 3.947 3.947 . 0 0 "[ ]" 2 679 2 106 VAL MG1 2 109 CYS H 4.000 . 5.300 4.133 4.133 4.133 . 0 0 "[ ]" 2 680 2 108 SER HA 2 109 CYS H 3.000 . 3.300 2.201 2.201 2.201 . 0 0 "[ ]" 2 681 2 108 SER QB 2 109 CYS H 2.500 . 3.800 3.240 3.240 3.240 . 0 0 "[ ]" 2 682 2 109 CYS H 2 109 CYS HB3 4.000 . 4.300 3.637 3.637 3.637 . 0 0 "[ ]" 2 683 2 109 CYS H 2 109 CYS HB2 3.000 . 3.300 2.386 2.386 2.386 . 0 0 "[ ]" 2 684 2 79 VAL MG1 2 110 LYS H 4.000 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 2 685 2 79 VAL MG2 2 110 LYS H 4.000 . 5.300 3.420 3.420 3.420 . 0 0 "[ ]" 2 686 2 109 CYS HA 2 110 LYS H 2.500 . 2.800 2.796 2.796 2.796 . 0 0 "[ ]" 2 687 2 109 CYS HB3 2 110 LYS H 3.000 . 3.300 1.849 1.849 1.849 . 0 0 "[ ]" 2 688 2 109 CYS HB2 2 110 LYS H 4.000 . 4.300 3.125 3.125 3.125 . 0 0 "[ ]" 2 689 2 110 LYS HA 2 111 CYS H 3.000 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 2 690 2 110 LYS QB 2 111 CYS H 2.500 . 3.800 2.005 2.005 2.005 . 0 0 "[ ]" 2 691 2 111 CYS H 2 111 CYS HB2 4.000 . 4.300 2.862 2.862 2.862 . 0 0 "[ ]" 2 692 2 111 CYS H 2 111 CYS HB3 4.000 . 4.300 3.864 3.864 3.864 . 0 0 "[ ]" 2 693 2 78 CYS HA 2 112 SER H 4.000 . 4.300 3.646 3.646 3.646 . 0 0 "[ ]" 2 694 2 79 VAL MG1 2 112 SER H 3.000 . 4.300 2.189 2.189 2.189 . 0 0 "[ ]" 2 695 2 79 VAL MG2 2 112 SER H 2.500 . 3.800 3.023 3.023 3.023 . 0 0 "[ ]" 2 696 2 111 CYS HA 2 112 SER H 2.500 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 2 697 2 111 CYS HB3 2 112 SER H 4.000 . 4.300 4.158 4.158 4.158 . 0 0 "[ ]" 2 698 2 2 LEU HA 2 2 LEU HB3 3.000 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 2 699 2 2 LEU HA 2 2 LEU HG 4.000 . 4.300 3.277 3.277 3.277 . 0 0 "[ ]" 2 700 2 2 LEU HA 2 2 LEU MD1 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 2 701 2 2 LEU HA 2 2 LEU MD2 2.500 . 3.800 1.821 1.821 1.821 . 0 0 "[ ]" 2 702 2 2 LEU HA 2 6 TYR HD2 3.000 . 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 2 703 2 2 LEU HA 2 16 CYS HA 4.000 . 4.300 3.813 3.813 3.813 . 0 0 "[ ]" 2 704 2 2 LEU HB2 2 2 LEU MD1 3.000 . 4.300 2.361 2.361 2.361 . 0 0 "[ ]" 2 705 2 2 LEU MD1 2 15 CYS QB 4.000 . 6.300 2.161 2.161 2.161 . 0 0 "[ ]" 2 706 2 2 LEU MD1 2 52 TRP HZ2 4.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 2 707 2 2 LEU MD1 2 53 SER QB 3.000 . 5.300 2.866 2.866 2.866 . 0 0 "[ ]" 2 708 2 2 LEU MD1 2 109 CYS HB2 4.000 . 5.300 4.221 4.221 4.221 . 0 0 "[ ]" 2 709 2 2 LEU HB3 2 2 LEU MD2 3.000 . 4.300 2.464 2.464 2.464 . 0 0 "[ ]" 2 710 2 2 LEU MD2 2 52 TRP HZ2 2.500 . 3.800 2.537 2.537 2.537 . 0 0 "[ ]" 2 711 2 3 ASP HA 2 17 VAL MG1 3.000 . 4.300 3.111 3.111 3.111 . 0 0 "[ ]" 2 712 2 3 ASP HA 2 108 SER HA 3.000 . 3.300 1.896 1.896 1.896 . 0 0 "[ ]" 2 713 2 3 ASP HA 2 108 SER QB 3.000 . 4.300 3.242 3.242 3.242 . 0 0 "[ ]" 2 714 2 4 THR HA 2 4 THR HB 3.000 . 3.300 2.334 2.334 2.334 . 0 0 "[ ]" 2 715 2 4 THR HA 2 7 CYS QB 3.000 . 4.300 2.752 2.752 2.752 . 0 0 "[ ]" 2 716 2 4 THR HA 2 4 THR MG 2.500 . 3.800 2.547 2.547 2.547 . 0 0 "[ ]" 2 717 2 4 THR HA 2 17 VAL MG2 4.000 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 2 718 2 4 THR HB 2 17 VAL MG2 4.000 . 5.300 3.624 3.624 3.624 . 0 0 "[ ]" 2 719 2 4 THR MG 2 17 VAL MG1 3.000 . 5.300 1.923 1.923 1.923 . 0 0 "[ ]" 2 720 2 4 THR MG 2 17 VAL HB 4.000 . 5.300 3.467 3.467 3.467 . 0 0 "[ ]" 2 721 2 4 THR MG 2 17 VAL MG2 3.000 . 5.300 1.930 1.930 1.930 . 0 0 "[ ]" 2 722 2 4 THR MG 2 106 VAL MG1 3.000 . 5.300 2.626 2.626 2.626 . 0 0 "[ ]" 2 723 2 4 THR MG 2 107 ARG QG 4.000 . 6.300 3.457 3.457 3.457 . 0 0 "[ ]" 2 724 2 6 TYR HA 2 6 TYR HB2 2.500 . 2.800 2.392 2.392 2.392 . 0 0 "[ ]" 2 725 2 6 TYR HA 2 6 TYR HB3 3.000 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 2 726 2 2 LEU MD2 2 6 TYR HD2 3.000 . 4.300 3.070 3.070 3.070 . 0 0 "[ ]" 2 727 2 6 TYR HA 2 6 TYR HD1 2.500 . 2.800 2.715 2.715 2.715 . 0 0 "[ ]" 2 728 2 6 TYR HD2 2 52 TRP HZ2 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 2 729 2 6 TYR HE2 2 52 TRP HH2 4.000 . 4.300 3.981 3.981 3.981 . 0 0 "[ ]" 2 730 2 2 LEU MD2 2 6 TYR HE2 3.000 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 2 731 2 6 TYR HE2 2 12 GLU QB 4.000 . 5.300 4.021 4.021 4.021 . 0 0 "[ ]" 2 732 2 6 TYR HE2 2 12 GLU QG 3.000 . 4.300 2.971 2.971 2.971 . 0 0 "[ ]" 2 733 2 6 TYR HE2 2 52 TRP HZ2 3.000 . 3.300 2.733 2.733 2.733 . 0 0 "[ ]" 2 734 2 7 CYS HA 2 7 CYS HB3 3.000 . 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 2 735 2 7 CYS HA 2 16 CYS QB 4.000 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 2 736 2 7 CYS QB 2 16 CYS QB 4.000 . 6.300 3.255 3.255 3.255 . 0 0 "[ ]" 2 737 2 7 CYS QB 2 17 VAL MG1 2.500 . 4.800 1.762 1.762 1.762 0.038 1 0 "[ ]" 2 738 2 7 CYS QB 2 17 VAL MG2 3.000 . 5.300 4.001 4.001 4.001 . 0 0 "[ ]" 2 739 2 7 CYS QB 2 18 ARG HA 4.000 . 5.300 3.444 3.444 3.444 . 0 0 "[ ]" 2 740 2 8 PHE HA 2 8 PHE HB3 2.500 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 2 741 2 8 PHE HB2 2 8 PHE HD1 3.000 . 3.300 3.292 3.292 3.292 . 0 0 "[ ]" 2 742 2 8 PHE HB3 2 8 PHE HD2 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 2 743 2 8 PHE HE1 2 17 VAL MG1 4.000 . 5.300 3.453 3.453 3.453 . 0 0 "[ ]" 2 744 2 8 PHE HE1 2 19 GLN HA 3.000 . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 2 745 2 8 PHE HE1 2 19 GLN HB2 4.000 . 4.300 4.310 4.310 4.310 0.010 1 0 "[ ]" 2 746 2 9 SER QB 2 10 SER QB 4.000 . 6.300 3.129 3.129 3.129 . 0 0 "[ ]" 2 747 2 10 SER HA 2 10 SER QB 2.500 . 3.800 2.498 2.498 2.498 . 0 0 "[ ]" 2 748 2 11 THR HA 2 11 THR MG 2.500 . 3.800 1.958 1.958 1.958 . 0 0 "[ ]" 2 749 2 12 GLU QG 2 52 TRP HZ2 4.000 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 2 750 2 15 CYS HA 2 78 CYS QB 3.000 . 4.300 2.178 2.178 2.178 . 0 0 "[ ]" 2 751 2 15 CYS QB 2 48 CYS HA 4.000 . 5.300 3.326 3.326 3.326 . 0 0 "[ ]" 2 752 2 15 CYS QB 2 78 CYS HB2 3.000 . 4.300 1.834 1.834 1.834 . 0 0 "[ ]" 2 753 2 15 CYS QB 2 78 CYS HB3 4.000 . 5.300 3.454 3.454 3.454 . 0 0 "[ ]" 2 754 2 2 LEU MD2 2 16 CYS HA 3.000 . 4.300 3.341 3.341 3.341 . 0 0 "[ ]" 2 755 2 16 CYS HA 2 109 CYS QB 4.000 . 5.300 4.202 4.202 4.202 . 0 0 "[ ]" 2 756 2 17 VAL HA 2 44 CYS HA 2.500 . 2.800 2.027 2.027 2.027 . 0 0 "[ ]" 2 757 2 17 VAL HA 2 44 CYS HB3 4.000 . 4.300 3.352 3.352 3.352 . 0 0 "[ ]" 2 758 2 17 VAL HA 2 17 VAL MG2 2.500 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 2 759 2 17 VAL MG2 2 42 ASN HA 4.000 . 5.300 3.816 3.816 3.816 . 0 0 "[ ]" 2 760 2 17 VAL MG2 2 42 ASN QB 2.500 . 4.800 2.440 2.440 2.440 . 0 0 "[ ]" 2 761 2 17 VAL MG2 2 43 PHE HD1 4.000 . 5.300 3.485 3.485 3.485 . 0 0 "[ ]" 2 762 2 17 VAL MG2 2 44 CYS HA 3.000 . 4.300 3.471 3.471 3.471 . 0 0 "[ ]" 2 763 2 17 VAL MG2 2 106 VAL HB 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 2 764 2 17 VAL MG1 2 108 SER HA 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2 765 2 17 VAL MG2 2 108 SER HA 4.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 2 766 2 19 GLN HA 2 42 ASN HA 4.000 . 4.300 2.896 2.896 2.896 . 0 0 "[ ]" 2 767 2 19 GLN HA 2 43 PHE HD1 4.000 . 4.300 4.243 4.243 4.243 . 0 0 "[ ]" 2 768 2 20 LEU HA 2 20 LEU HG 4.000 . 4.300 3.072 3.072 3.072 . 0 0 "[ ]" 2 769 2 20 LEU HA 2 20 LEU MD1 2.500 . 3.800 1.810 1.810 1.810 . 0 0 "[ ]" 2 770 2 20 LEU HA 2 43 PHE HD1 4.000 . 4.300 4.323 4.323 4.323 0.023 1 0 "[ ]" 2 771 2 20 LEU QB 2 43 PHE HE1 3.000 . 4.300 3.173 3.173 3.173 . 0 0 "[ ]" 2 772 2 20 LEU QB 2 43 PHE HD1 2.500 . 3.800 2.109 2.109 2.109 . 0 0 "[ ]" 2 773 2 20 LEU MD2 2 22 ILE MD 3.000 . 5.300 2.822 2.822 2.822 . 0 0 "[ ]" 2 774 2 20 LEU QB 2 20 LEU MD2 2.500 . 4.800 2.106 2.106 2.106 . 0 0 "[ ]" 2 775 2 20 LEU MD2 2 41 ALA MB 3.000 . 5.300 2.975 2.975 2.975 . 0 0 "[ ]" 2 776 2 20 LEU MD2 2 43 PHE HD2 3.000 . 4.300 2.767 2.767 2.767 . 0 0 "[ ]" 2 777 2 20 LEU MD1 2 43 PHE QB 3.000 . 5.300 3.825 3.825 3.825 . 0 0 "[ ]" 2 778 2 20 LEU MD1 2 43 PHE HD1 4.000 . 5.300 3.920 3.920 3.920 . 0 0 "[ ]" 2 779 2 20 LEU MD1 2 43 PHE HE1 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 2 780 2 21 TYR HA 2 21 TYR HB2 3.000 . 3.300 2.447 2.447 2.447 . 0 0 "[ ]" 2 781 2 21 TYR HA 2 21 TYR HD2 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2 782 2 21 TYR HA 2 40 HIS HA 2.500 . 2.800 2.262 2.262 2.262 . 0 0 "[ ]" 2 783 2 21 TYR HB2 2 21 TYR HD2 3.000 . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 2 784 2 21 TYR HD2 2 40 HIS HA 3.000 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 2 785 2 21 TYR HD2 2 40 HIS HD2 4.000 . 4.300 4.201 4.201 4.201 . 0 0 "[ ]" 2 786 2 21 TYR HD2 2 40 HIS HE1 4.000 . 4.300 3.998 3.998 3.998 . 0 0 "[ ]" 2 787 2 21 TYR HB3 2 21 TYR HD1 3.000 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 2 788 2 21 TYR HD1 2 23 ASP QB 4.000 . 5.300 3.525 3.525 3.525 . 0 0 "[ ]" 2 789 2 21 TYR HE2 2 40 HIS HE1 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 2 790 2 21 TYR HE1 2 23 ASP HB3 3.000 . 3.300 3.348 3.348 3.348 0.048 1 0 "[ ]" 2 791 2 21 TYR HE1 2 23 ASP HB2 3.000 . 3.300 1.870 1.870 1.870 . 0 0 "[ ]" 2 792 2 21 TYR HE1 2 38 GLY QA 3.000 . 4.300 2.754 2.754 2.754 . 0 0 "[ ]" 2 793 2 22 ILE HA 2 22 ILE HG13 4.000 . 4.300 3.219 3.219 3.219 . 0 0 "[ ]" 2 794 2 22 ILE HA 2 22 ILE MG 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 2 795 2 22 ILE HA 2 22 ILE MD 4.000 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 2 796 2 22 ILE HB 2 22 ILE HG13 3.000 . 3.300 2.408 2.408 2.408 . 0 0 "[ ]" 2 797 2 22 ILE HB 2 39 TYR HD1 4.000 . 4.300 3.354 3.354 3.354 . 0 0 "[ ]" 2 798 2 22 ILE MD 2 22 ILE MG 2.500 . 4.800 1.835 1.835 1.835 . 0 0 "[ ]" 2 799 2 22 ILE MG 2 27 ASP HB3 2.500 . 3.800 2.377 2.377 2.377 . 0 0 "[ ]" 2 800 2 22 ILE MG 2 27 ASP HB2 2.500 . 3.800 1.859 1.859 1.859 . 0 0 "[ ]" 2 801 2 22 ILE MG 2 28 LEU HG 3.000 . 4.300 1.958 1.958 1.958 . 0 0 "[ ]" 2 802 2 22 ILE MG 2 28 LEU MD1 3.000 . 5.300 2.172 2.172 2.172 . 0 0 "[ ]" 2 803 2 22 ILE MG 2 28 LEU MD2 3.000 . 5.300 2.712 2.712 2.712 . 0 0 "[ ]" 2 804 2 22 ILE MG 2 39 TYR HD1 4.000 . 5.300 4.313 4.313 4.313 . 0 0 "[ ]" 2 805 2 22 ILE MG 2 41 ALA MB 4.000 . 6.300 3.705 3.705 3.705 . 0 0 "[ ]" 2 806 2 22 ILE MD 2 28 LEU HG 4.000 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 2 807 2 22 ILE MD 2 41 ALA MB 2.500 . 4.800 2.082 2.082 2.082 . 0 0 "[ ]" 2 808 2 23 ASP HA 2 38 GLY QA 2.500 . 3.800 1.883 1.883 1.883 . 0 0 "[ ]" 2 809 2 21 TYR HE1 2 23 ASP HA 3.000 . 3.300 2.231 2.231 2.231 . 0 0 "[ ]" 2 810 2 24 PHE HA 2 30 TRP HB2 4.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 2 811 2 24 PHE HB2 2 37 LYS HA 4.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 2 812 2 24 PHE HD1 2 33 ILE MD 3.000 . 4.300 3.094 3.094 3.094 . 0 0 "[ ]" 2 813 2 24 PHE HD1 2 33 ILE MG 3.000 . 4.300 3.444 3.444 3.444 . 0 0 "[ ]" 2 814 2 24 PHE HD2 2 33 ILE MG 4.000 . 5.300 3.497 3.497 3.497 . 0 0 "[ ]" 2 815 2 24 PHE HD1 2 104 MET ME 4.000 . 5.300 3.618 3.618 3.618 . 0 0 "[ ]" 2 816 2 24 PHE HD2 2 37 LYS HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 2 817 2 24 PHE HD2 2 38 GLY QA 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 2 818 2 24 PHE HE1 2 28 LEU MD1 4.000 . 5.300 3.938 3.938 3.938 . 0 0 "[ ]" 2 819 2 24 PHE HE1 2 33 ILE MG 4.000 . 5.300 3.348 3.348 3.348 . 0 0 "[ ]" 2 820 2 24 PHE HE2 2 33 ILE MG 3.000 . 4.300 3.503 3.503 3.503 . 0 0 "[ ]" 2 821 2 24 PHE HE1 2 33 ILE MD 3.000 . 4.300 2.129 2.129 2.129 . 0 0 "[ ]" 2 822 2 24 PHE HE2 2 33 ILE MD 4.000 . 5.300 4.200 4.200 4.200 . 0 0 "[ ]" 2 823 2 24 PHE HE2 2 36 PRO QG 3.000 . 4.300 2.442 2.442 2.442 . 0 0 "[ ]" 2 824 2 24 PHE HE2 2 86 LEU MD2 3.000 . 4.300 3.469 3.469 3.469 . 0 0 "[ ]" 2 825 2 24 PHE HE2 2 86 LEU MD1 3.000 . 4.300 2.287 2.287 2.287 . 0 0 "[ ]" 2 826 2 24 PHE HE2 2 88 ILE MG 4.000 . 5.300 3.329 3.329 3.329 . 0 0 "[ ]" 2 827 2 24 PHE HE1 2 104 MET ME 2.500 . 3.800 1.899 1.899 1.899 . 0 0 "[ ]" 2 828 2 24 PHE HZ 2 33 ILE MG 4.000 . 5.300 3.358 3.358 3.358 . 0 0 "[ ]" 2 829 2 24 PHE HZ 2 33 ILE MD 4.000 . 5.300 2.899 2.899 2.899 . 0 0 "[ ]" 2 830 2 24 PHE HZ 2 39 TYR HD1 4.000 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 2 831 2 24 PHE HZ 2 86 LEU MD2 2.500 . 3.800 1.715 1.715 1.715 0.085 1 0 "[ ]" 2 832 2 24 PHE HZ 2 86 LEU MD1 3.000 . 4.300 2.167 2.167 2.167 . 0 0 "[ ]" 2 833 2 24 PHE HZ 2 88 ILE MG 3.000 . 4.300 2.709 2.709 2.709 . 0 0 "[ ]" 2 834 2 24 PHE HZ 2 101 LEU MD1 4.000 . 5.300 3.100 3.100 3.100 . 0 0 "[ ]" 2 835 2 24 PHE HZ 2 104 MET ME 2.500 . 3.800 2.208 2.208 2.208 . 0 0 "[ ]" 2 836 2 28 LEU HA 2 28 LEU HB3 2.500 . 2.800 2.439 2.439 2.439 . 0 0 "[ ]" 2 837 2 28 LEU HA 2 28 LEU MD2 2.500 . 3.800 1.927 1.927 1.927 . 0 0 "[ ]" 2 838 2 24 PHE HA 2 28 LEU MD1 4.000 . 5.300 3.387 3.387 3.387 . 0 0 "[ ]" 2 839 2 28 LEU MD1 2 104 MET ME 3.000 . 5.300 3.193 3.193 3.193 . 0 0 "[ ]" 2 840 2 24 PHE HD1 2 30 TRP HE3 3.000 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 2 841 2 28 LEU MD1 2 30 TRP HE3 4.000 . 5.300 3.997 3.997 3.997 . 0 0 "[ ]" 2 842 2 30 TRP HB3 2 30 TRP HE3 3.000 . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 2 843 2 30 TRP HB2 2 30 TRP HE3 3.000 . 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 2 844 2 30 TRP HE3 2 32 TRP HZ2 4.000 . 4.300 3.502 3.502 3.502 . 0 0 "[ ]" 2 845 2 30 TRP HE3 2 33 ILE MD 2.500 . 3.800 1.743 1.743 1.743 0.057 1 0 "[ ]" 2 846 2 30 TRP HE3 2 33 ILE HG13 4.000 . 4.300 3.612 3.612 3.612 . 0 0 "[ ]" 2 847 2 30 TRP HE3 2 33 ILE HG12 4.000 . 4.300 4.354 4.354 4.354 0.054 1 0 "[ ]" 2 848 2 28 LEU MD1 2 30 TRP HH2 4.000 . 5.300 4.064 4.064 4.064 . 0 0 "[ ]" 2 849 2 28 LEU MD1 2 30 TRP HZ2 4.000 . 5.300 3.290 3.290 3.290 . 0 0 "[ ]" 2 850 2 28 LEU MD1 2 30 TRP HZ3 4.000 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 2 851 2 30 TRP HZ3 2 32 TRP HH2 4.000 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 2 852 2 30 TRP HZ3 2 32 TRP HZ2 3.000 . 3.300 2.376 2.376 2.376 . 0 0 "[ ]" 2 853 2 30 TRP HZ3 2 33 ILE MD 2.500 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 2 854 2 30 TRP HZ3 2 101 LEU MD1 3.000 . 4.300 2.304 2.304 2.304 . 0 0 "[ ]" 2 855 2 28 LEU HB3 2 30 TRP HD1 3.000 . 3.300 2.615 2.615 2.615 . 0 0 "[ ]" 2 856 2 28 LEU HB2 2 30 TRP HD1 4.000 . 4.300 3.445 3.445 3.445 . 0 0 "[ ]" 2 857 2 28 LEU MD1 2 30 TRP HD1 4.000 . 5.300 3.931 3.931 3.931 . 0 0 "[ ]" 2 858 2 30 TRP HA 2 30 TRP HD1 2.500 . 2.800 2.006 2.006 2.006 . 0 0 "[ ]" 2 859 2 32 TRP HA 2 32 TRP HE3 4.000 . 4.300 4.298 4.298 4.298 . 0 0 "[ ]" 2 860 2 32 TRP HB3 2 32 TRP HE3 4.000 . 4.300 4.076 4.076 4.076 . 0 0 "[ ]" 2 861 2 32 TRP HB2 2 32 TRP HE3 3.000 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 2 862 2 32 TRP HE3 2 33 ILE HA 4.000 . 4.300 4.341 4.341 4.341 0.041 1 0 "[ ]" 2 863 2 32 TRP HE3 2 33 ILE QG 3.000 . 4.300 3.190 3.190 3.190 . 0 0 "[ ]" 2 864 2 32 TRP HE3 2 33 ILE MD 4.000 . 5.300 4.461 4.461 4.461 . 0 0 "[ ]" 2 865 2 32 TRP HE3 2 88 ILE MD 4.000 . 5.300 4.130 4.130 4.130 . 0 0 "[ ]" 2 866 2 32 TRP HE3 2 90 TYR HB3 4.000 . 4.300 3.365 3.365 3.365 . 0 0 "[ ]" 2 867 2 32 TRP HE3 2 90 TYR HB2 4.000 . 4.300 3.317 3.317 3.317 . 0 0 "[ ]" 2 868 2 32 TRP HZ3 2 88 ILE MD 3.000 . 4.300 2.716 2.716 2.716 . 0 0 "[ ]" 2 869 2 32 TRP HZ3 2 90 TYR HD1 4.000 . 4.300 3.591 3.591 3.591 . 0 0 "[ ]" 2 870 2 32 TRP HZ3 2 101 LEU MD2 4.000 . 5.300 3.271 3.271 3.271 . 0 0 "[ ]" 2 871 2 32 TRP HZ2 2 88 ILE MD 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 2 872 2 30 TRP HA 2 32 TRP HD1 3.000 . 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 2 873 2 30 TRP HB3 2 32 TRP HD1 4.000 . 4.300 2.988 2.988 2.988 . 0 0 "[ ]" 2 874 2 32 TRP HA 2 32 TRP HD1 4.000 . 4.300 4.328 4.328 4.328 0.028 1 0 "[ ]" 2 875 2 32 TRP HB3 2 32 TRP HD1 3.000 . 3.300 2.737 2.737 2.737 . 0 0 "[ ]" 2 876 2 32 TRP HD1 2 33 ILE MD 4.000 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 2 877 2 33 ILE HA 2 33 ILE HG12 3.000 . 3.300 2.404 2.404 2.404 . 0 0 "[ ]" 2 878 2 33 ILE HA 2 33 ILE HG13 3.000 . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 2 879 2 33 ILE HA 2 33 ILE MG 3.000 . 4.300 2.601 2.601 2.601 . 0 0 "[ ]" 2 880 2 33 ILE HA 2 33 ILE MD 4.000 . 5.300 3.736 3.736 3.736 . 0 0 "[ ]" 2 881 2 33 ILE HA 2 90 TYR HA 4.000 . 4.300 2.892 2.892 2.892 . 0 0 "[ ]" 2 882 2 33 ILE HA 2 90 TYR HB3 3.000 . 3.300 1.926 1.926 1.926 . 0 0 "[ ]" 2 883 2 33 ILE HA 2 90 TYR HB2 4.000 . 4.300 3.348 3.348 3.348 . 0 0 "[ ]" 2 884 2 33 ILE HB 2 33 ILE HG13 3.000 . 3.300 2.504 2.504 2.504 . 0 0 "[ ]" 2 885 2 33 ILE HB 2 33 ILE MD 3.000 . 4.300 2.354 2.354 2.354 . 0 0 "[ ]" 2 886 2 33 ILE MD 2 33 ILE MG 2.500 . 4.800 1.762 1.762 1.762 0.038 1 0 "[ ]" 2 887 2 33 ILE MG 2 88 ILE QG 3.000 . 5.300 3.594 3.594 3.594 . 0 0 "[ ]" 2 888 2 33 ILE MG 2 88 ILE MG 3.000 . 5.300 3.142 3.142 3.142 . 0 0 "[ ]" 2 889 2 32 TRP HH2 2 33 ILE MD 3.000 . 4.300 2.867 2.867 2.867 . 0 0 "[ ]" 2 890 2 32 TRP HZ2 2 33 ILE MD 2.500 . 3.800 2.106 2.106 2.106 . 0 0 "[ ]" 2 891 2 33 ILE MD 2 88 ILE MG 3.000 . 5.300 2.547 2.547 2.547 . 0 0 "[ ]" 2 892 2 33 ILE MD 2 88 ILE MD 2.500 . 4.800 1.774 1.774 1.774 0.026 1 0 "[ ]" 2 893 2 33 ILE MD 2 101 LEU MD1 3.000 . 5.300 2.093 2.093 2.093 . 0 0 "[ ]" 2 894 2 33 ILE MD 2 101 LEU MD2 3.000 . 5.300 3.268 3.268 3.268 . 0 0 "[ ]" 2 895 2 33 ILE MD 2 104 MET ME 3.000 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 2 896 2 34 HIS HD2 2 89 VAL HB 3.000 . 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 2 897 2 34 HIS HD2 2 91 TYR HE1 4.000 . 4.300 3.899 3.899 3.899 . 0 0 "[ ]" 2 898 2 34 HIS QB 2 89 VAL HB 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2 899 2 34 HIS QB 2 90 TYR HA 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 2 900 2 34 HIS HA 2 90 TYR HA 4.500 . 4.800 4.740 4.740 4.740 . 0 0 "[ ]" 2 901 2 35 GLU HA 2 36 PRO HA 2.500 . 2.800 2.205 2.205 2.205 . 0 0 "[ ]" 2 902 2 35 GLU HB2 2 89 VAL HB 3.000 . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 2 903 2 35 GLU HB3 2 36 PRO HA 3.000 . 3.300 2.195 2.195 2.195 . 0 0 "[ ]" 2 904 2 21 TYR HE2 2 39 TYR HA 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2 905 2 39 TYR HA 2 39 TYR HD2 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 2 906 2 39 TYR HA 2 39 TYR HD1 4.000 . 4.300 3.983 3.983 3.983 . 0 0 "[ ]" 2 907 2 39 TYR QB 2 39 TYR HD1 3.000 . 4.300 2.617 2.617 2.617 . 0 0 "[ ]" 2 908 2 39 TYR QB 2 39 TYR HD2 3.000 . 4.300 2.294 2.294 2.294 . 0 0 "[ ]" 2 909 2 39 TYR HD2 2 41 ALA HA 3.000 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2 910 2 39 TYR HD1 2 41 ALA MB 4.000 . 5.300 4.162 4.162 4.162 . 0 0 "[ ]" 2 911 2 39 TYR HD2 2 41 ALA MB 4.000 . 5.300 4.095 4.095 4.095 . 0 0 "[ ]" 2 912 2 39 TYR HD2 2 86 LEU MD1 4.000 . 5.300 3.362 3.362 3.362 . 0 0 "[ ]" 2 913 2 39 TYR HD2 2 105 ILE HA 4.000 . 4.300 3.959 3.959 3.959 . 0 0 "[ ]" 2 914 2 39 TYR HD2 2 105 ILE HG13 4.000 . 4.300 3.378 3.378 3.378 . 0 0 "[ ]" 2 915 2 39 TYR HD2 2 105 ILE HG12 3.000 . 3.300 1.899 1.899 1.899 . 0 0 "[ ]" 2 916 2 39 TYR HD2 2 105 ILE MG 4.000 . 5.300 3.191 3.191 3.191 . 0 0 "[ ]" 2 917 2 39 TYR HD2 2 105 ILE MD 3.000 . 4.300 2.436 2.436 2.436 . 0 0 "[ ]" 2 918 2 39 TYR HE2 2 41 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 2 919 2 39 TYR HE1 2 41 ALA MB 3.000 . 4.300 3.041 3.041 3.041 . 0 0 "[ ]" 2 920 2 41 ALA HA 2 105 ILE HA 2.500 . 2.800 2.517 2.517 2.517 . 0 0 "[ ]" 2 921 2 20 LEU QB 2 42 ASN HA 2.500 . 3.800 2.365 2.365 2.365 . 0 0 "[ ]" 2 922 2 42 ASN HB3 2 106 VAL HB 2.500 . 2.800 2.319 2.319 2.319 . 0 0 "[ ]" 2 923 2 42 ASN HB2 2 106 VAL HB 2.500 . 2.800 2.029 2.029 2.029 . 0 0 "[ ]" 2 924 2 17 VAL MG2 2 43 PHE HA 3.000 . 4.300 3.385 3.385 3.385 . 0 0 "[ ]" 2 925 2 43 PHE HA 2 106 VAL MG1 4.000 . 5.300 3.228 3.228 3.228 . 0 0 "[ ]" 2 926 2 43 PHE HA 2 106 VAL MG2 3.000 . 4.300 2.402 2.402 2.402 . 0 0 "[ ]" 2 927 2 18 ARG QG 2 43 PHE HE1 4.000 . 5.300 3.903 3.903 3.903 . 0 0 "[ ]" 2 928 2 43 PHE HE2 2 45 LEU HB2 4.000 . 4.300 4.359 4.359 4.359 0.059 1 0 "[ ]" 2 929 2 43 PHE HE2 2 45 LEU HG 2.500 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 2 930 2 43 PHE HD2 2 45 LEU HG 4.000 . 4.300 3.214 3.214 3.214 . 0 0 "[ ]" 2 931 2 43 PHE HE2 2 45 LEU MD1 2.500 . 3.800 1.799 1.799 1.799 0.001 1 0 "[ ]" 2 932 2 43 PHE HD2 2 45 LEU MD2 2.500 . 3.800 2.948 2.948 2.948 . 0 0 "[ ]" 2 933 2 43 PHE HE2 2 45 LEU MD2 2.500 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 2 934 2 43 PHE HZ 2 45 LEU MD1 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 2 935 2 43 PHE HZ 2 45 LEU MD2 4.000 . 5.300 4.135 4.135 4.135 . 0 0 "[ ]" 2 936 2 44 CYS QB 2 79 VAL HA 3.000 . 4.300 2.932 2.932 2.932 . 0 0 "[ ]" 2 937 2 44 CYS HB2 2 109 CYS HB3 4.000 . 4.300 3.713 3.713 3.713 . 0 0 "[ ]" 2 938 2 44 CYS HB3 2 109 CYS HB3 3.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 2 939 2 45 LEU HA 2 45 LEU HB3 3.000 . 3.300 2.572 2.572 2.572 . 0 0 "[ ]" 2 940 2 45 LEU HA 2 45 LEU MD1 4.000 . 5.300 3.692 3.692 3.692 . 0 0 "[ ]" 2 941 2 45 LEU HA 2 45 LEU MD2 2.500 . 3.800 1.801 1.801 1.801 . 0 0 "[ ]" 2 942 2 45 LEU HA 2 45 LEU HG 3.000 . 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 2 943 2 45 LEU HA 2 78 CYS HB3 4.000 . 4.300 4.192 4.192 4.192 . 0 0 "[ ]" 2 944 2 18 ARG QG 2 45 LEU MD1 4.000 . 6.300 4.329 4.329 4.329 . 0 0 "[ ]" 2 945 2 45 LEU HB2 2 45 LEU MD2 3.000 . 4.300 3.179 3.179 3.179 . 0 0 "[ ]" 2 946 2 45 LEU HB3 2 45 LEU MD2 3.000 . 4.300 2.368 2.368 2.368 . 0 0 "[ ]" 2 947 2 46 GLY QA 2 47 PRO QD 2.500 . 4.800 1.820 1.820 1.820 . 0 0 "[ ]" 2 948 2 48 CYS HA 2 49 PRO QD 2.500 . 3.800 1.946 1.946 1.946 . 0 0 "[ ]" 2 949 2 48 CYS QB 2 63 ALA MB 4.000 . 6.300 4.346 4.346 4.346 . 0 0 "[ ]" 2 950 2 48 CYS HB3 2 76 PRO QG 4.000 . 5.300 4.318 4.318 4.318 . 0 0 "[ ]" 2 951 2 48 CYS HB2 2 76 PRO QG 4.000 . 5.300 4.032 4.032 4.032 . 0 0 "[ ]" 2 952 2 48 CYS QB 2 76 PRO QB 4.000 . 6.300 4.816 4.816 4.816 . 0 0 "[ ]" 2 953 2 50 TYR HA 2 63 ALA MB 2.500 . 3.800 2.126 2.126 2.126 . 0 0 "[ ]" 2 954 2 50 TYR HA 2 50 TYR HD1 3.000 . 3.300 2.898 2.898 2.898 . 0 0 "[ ]" 2 955 2 50 TYR QB 2 50 TYR HD1 2.500 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 2 956 2 50 TYR QB 2 50 TYR HD2 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 2 957 2 50 TYR HD1 2 63 ALA MB 2.500 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 2 958 2 50 TYR HD1 2 64 LEU HA 4.000 . 4.300 3.004 3.004 3.004 . 0 0 "[ ]" 2 959 2 50 TYR HD1 2 64 LEU MD1 4.000 . 5.300 3.427 3.427 3.427 . 0 0 "[ ]" 2 960 2 50 TYR HD1 2 64 LEU MD2 3.000 . 4.300 2.644 2.644 2.644 . 0 0 "[ ]" 2 961 2 50 TYR HE1 2 64 LEU HG 3.000 . 3.300 3.204 3.204 3.204 . 0 0 "[ ]" 2 962 2 50 TYR HE1 2 64 LEU MD1 4.000 . 5.300 4.501 4.501 4.501 . 0 0 "[ ]" 2 963 2 50 TYR HE1 2 64 LEU MD2 3.000 . 4.300 2.199 2.199 2.199 . 0 0 "[ ]" 2 964 2 50 TYR HE1 2 67 GLN HB2 3.000 . 3.300 1.852 1.852 1.852 . 0 0 "[ ]" 2 965 2 51 ILE HA 2 51 ILE HB 3.000 . 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 2 966 2 51 ILE HA 2 51 ILE MG 3.000 . 4.300 2.315 2.315 2.315 . 0 0 "[ ]" 2 967 2 51 ILE HA 2 54 LEU MD1 2.500 . 3.800 2.792 2.792 2.792 . 0 0 "[ ]" 2 968 2 51 ILE HB 2 51 ILE HG13 3.000 . 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 2 969 2 51 ILE HB 2 51 ILE MD 3.000 . 4.300 2.210 2.210 2.210 . 0 0 "[ ]" 2 970 2 51 ILE MD 2 51 ILE MG 3.000 . 5.300 2.280 2.280 2.280 . 0 0 "[ ]" 2 971 2 51 ILE MD 2 52 TRP HE3 3.000 . 4.300 3.370 3.370 3.370 . 0 0 "[ ]" 2 972 2 51 ILE MD 2 52 TRP HZ3 4.000 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 2 973 2 50 TYR HD2 2 51 ILE MG 3.000 . 4.300 3.389 3.389 3.389 . 0 0 "[ ]" 2 974 2 51 ILE HG13 2 51 ILE MG 3.000 . 4.300 3.132 3.132 3.132 . 0 0 "[ ]" 2 975 2 51 ILE HG12 2 51 ILE MG 3.000 . 4.300 2.174 2.174 2.174 . 0 0 "[ ]" 2 976 2 52 TRP HA 2 52 TRP HE3 3.000 . 3.300 2.100 2.100 2.100 . 0 0 "[ ]" 2 977 2 52 TRP HA 2 52 TRP HD1 4.000 . 4.300 4.316 4.316 4.316 0.016 1 0 "[ ]" 2 978 2 48 CYS HA 2 52 TRP HD1 4.000 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 2 979 2 52 TRP QB 2 52 TRP HD1 3.000 . 4.300 2.477 2.477 2.477 . 0 0 "[ ]" 2 980 2 15 CYS HB3 2 52 TRP HD1 2.500 . 2.800 1.845 1.845 1.845 . 0 0 "[ ]" 2 981 2 15 CYS HB2 2 52 TRP HD1 3.000 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 2 982 2 2 LEU MD1 2 52 TRP HD1 2.500 . 3.800 1.943 1.943 1.943 . 0 0 "[ ]" 2 983 2 2 LEU MD2 2 52 TRP HD1 4.000 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 2 984 2 54 LEU HA 2 54 LEU MD2 2.500 . 3.800 2.438 2.438 2.438 . 0 0 "[ ]" 2 985 2 54 LEU HA 2 111 CYS HB2 3.000 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 2 986 2 54 LEU HB2 2 54 LEU MD1 3.000 . 4.300 2.075 2.075 2.075 . 0 0 "[ ]" 2 987 2 54 LEU HB3 2 54 LEU MD1 3.000 . 4.300 2.581 2.581 2.581 . 0 0 "[ ]" 2 988 2 54 LEU MD1 2 60 LYS QB 3.000 . 5.300 1.657 1.657 1.657 0.143 1 0 "[ ]" 2 989 2 54 LEU MD1 2 63 ALA MB 3.000 . 5.300 3.484 3.484 3.484 . 0 0 "[ ]" 2 990 2 54 LEU HB3 2 54 LEU MD2 3.000 . 4.300 2.029 2.029 2.029 . 0 0 "[ ]" 2 991 2 54 LEU MD2 2 60 LYS QB 4.000 . 6.300 2.857 2.857 2.857 . 0 0 "[ ]" 2 992 2 54 LEU MD2 2 63 ALA MB 3.000 . 5.300 2.465 2.465 2.465 . 0 0 "[ ]" 2 993 2 54 LEU MD2 2 111 CYS HB2 4.000 . 5.300 3.955 3.955 3.955 . 0 0 "[ ]" 2 994 2 56 THR HA 2 56 THR HB 2.500 . 2.800 2.326 2.326 2.326 . 0 0 "[ ]" 2 995 2 56 THR HA 2 56 THR MG 2.500 . 3.800 2.594 2.594 2.594 . 0 0 "[ ]" 2 996 2 56 THR HB 2 57 GLN QB 4.000 . 5.300 4.391 4.391 4.391 . 0 0 "[ ]" 2 997 2 56 THR MG 2 112 SER HB2 4.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 2 998 2 57 GLN HA 2 60 LYS QB 4.000 . 5.300 4.005 4.005 4.005 . 0 0 "[ ]" 2 999 2 58 TYR HA 2 58 TYR HD1 3.000 . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 2 1000 2 58 TYR HD1 2 62 LEU QB 4.000 . 4.300 3.312 3.312 3.312 . 0 0 "[ ]" 2 1001 2 58 TYR HE2 2 62 LEU MD2 3.000 . 4.300 2.616 2.616 2.616 . 0 0 "[ ]" 2 1002 2 58 TYR HE1 2 62 LEU MD2 3.000 . 4.300 3.457 3.457 3.457 . 0 0 "[ ]" 2 1003 2 58 TYR HE1 2 62 LEU MD1 3.000 . 4.300 2.798 2.798 2.798 . 0 0 "[ ]" 2 1004 2 58 TYR HE2 2 76 PRO HA 4.000 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 2 1005 2 59 SER HA 2 76 PRO QG 4.000 . 5.300 4.488 4.488 4.488 . 0 0 "[ ]" 2 1006 2 59 SER QB 2 76 PRO QG 4.000 . 6.300 4.624 4.624 4.624 . 0 0 "[ ]" 2 1007 2 59 SER QB 2 112 SER HA 4.000 . 5.300 4.624 4.624 4.624 . 0 0 "[ ]" 2 1008 2 54 LEU MD1 2 60 LYS HA 3.000 . 4.300 1.991 1.991 1.991 . 0 0 "[ ]" 2 1009 2 60 LYS HA 2 63 ALA MB 2.500 . 3.800 2.301 2.301 2.301 . 0 0 "[ ]" 2 1010 2 61 VAL HA 2 61 VAL MG2 3.000 . 4.300 2.273 2.273 2.273 . 0 0 "[ ]" 2 1011 2 61 VAL HA 2 61 VAL MG1 3.000 . 4.300 2.515 2.515 2.515 . 0 0 "[ ]" 2 1012 2 61 VAL HA 2 64 LEU MD1 4.000 . 5.300 3.000 3.000 3.000 . 0 0 "[ ]" 2 1013 2 58 TYR HA 2 61 VAL HB 3.000 . 3.300 2.420 2.420 2.420 . 0 0 "[ ]" 2 1014 2 58 TYR HA 2 61 VAL MG2 3.000 . 4.300 3.359 3.359 3.359 . 0 0 "[ ]" 2 1015 2 62 LEU HA 2 65 TYR HB2 3.000 . 3.300 2.333 2.333 2.333 . 0 0 "[ ]" 2 1016 2 62 LEU HA 2 65 TYR HD2 4.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 2 1017 2 62 LEU HG 2 75 ALA HA 3.000 . 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 2 1018 2 62 LEU HA 2 62 LEU MD1 2.500 . 3.800 2.402 2.402 2.402 . 0 0 "[ ]" 2 1019 2 62 LEU MD1 2 65 TYR HD2 3.000 . 4.300 2.288 2.288 2.288 . 0 0 "[ ]" 2 1020 2 62 LEU MD1 2 65 TYR HE2 4.000 . 5.300 3.672 3.672 3.672 . 0 0 "[ ]" 2 1021 2 62 LEU QB 2 62 LEU MD2 3.000 . 4.300 2.015 2.015 2.015 . 0 0 "[ ]" 2 1022 2 62 LEU MD2 2 76 PRO HA 3.000 . 4.300 2.011 2.011 2.011 . 0 0 "[ ]" 2 1023 2 62 LEU MD2 2 76 PRO QG 4.000 . 6.300 3.160 3.160 3.160 . 0 0 "[ ]" 2 1024 2 63 ALA HA 2 66 ASN HB3 4.000 . 4.300 4.326 4.326 4.326 0.026 1 0 "[ ]" 2 1025 2 50 TYR QB 2 63 ALA MB 4.000 . 6.300 3.130 3.130 3.130 . 0 0 "[ ]" 2 1026 2 63 ALA MB 2 76 PRO QG 3.000 . 5.300 2.942 2.942 2.942 . 0 0 "[ ]" 2 1027 2 64 LEU HA 2 64 LEU MD2 2.500 . 3.800 2.288 2.288 2.288 . 0 0 "[ ]" 2 1028 2 64 LEU HA 2 64 LEU HB3 2.500 . 2.800 2.515 2.515 2.515 . 0 0 "[ ]" 2 1029 2 64 LEU HA 2 67 GLN HB3 3.000 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 2 1030 2 64 LEU HA 2 67 GLN HB2 3.000 . 3.300 2.027 2.027 2.027 . 0 0 "[ ]" 2 1031 2 64 LEU HA 2 68 HIS HE1 4.000 . 4.300 4.029 4.029 4.029 . 0 0 "[ ]" 2 1032 2 64 LEU HB3 2 64 LEU MD2 3.000 . 4.300 2.204 2.204 2.204 . 0 0 "[ ]" 2 1033 2 64 LEU HA 2 64 LEU MD1 4.000 . 5.300 3.833 3.833 3.833 . 0 0 "[ ]" 2 1034 2 64 LEU HB2 2 64 LEU MD1 2.500 . 3.800 1.996 1.996 1.996 . 0 0 "[ ]" 2 1035 2 64 LEU HB3 2 64 LEU MD1 2.500 . 3.800 2.694 2.694 2.694 . 0 0 "[ ]" 2 1036 2 65 TYR HA 2 68 HIS HB2 4.000 . 4.300 3.118 3.118 3.118 . 0 0 "[ ]" 2 1037 2 65 TYR HA 2 65 TYR HD1 4.000 . 4.300 2.845 2.845 2.845 . 0 0 "[ ]" 2 1038 2 65 TYR HB3 2 65 TYR HD2 3.000 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 2 1039 2 65 TYR HB2 2 65 TYR HD1 3.000 . 3.300 2.493 2.493 2.493 . 0 0 "[ ]" 2 1040 2 65 TYR HD2 2 66 ASN HA 4.000 . 4.300 3.464 3.464 3.464 . 0 0 "[ ]" 2 1041 2 65 TYR HD2 2 72 ALA MB 4.000 . 5.300 3.877 3.877 3.877 . 0 0 "[ ]" 2 1042 2 65 TYR HD2 2 75 ALA HA 4.000 . 4.300 4.333 4.333 4.333 0.033 1 0 "[ ]" 2 1043 2 65 TYR HE2 2 72 ALA MB 2.500 . 3.800 3.027 3.027 3.027 . 0 0 "[ ]" 2 1044 2 65 TYR HE2 2 74 ALA MB 3.000 . 4.300 2.165 2.165 2.165 . 0 0 "[ ]" 2 1045 2 66 ASN HA 2 72 ALA MB 4.000 . 5.300 2.736 2.736 2.736 . 0 0 "[ ]" 2 1046 2 68 HIS HA 2 68 HIS HD2 3.000 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2 1047 2 68 HIS HB3 2 68 HIS HD2 2.500 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 2 1048 2 68 HIS HB2 2 68 HIS HD2 4.000 . 4.300 3.916 3.916 3.916 . 0 0 "[ ]" 2 1049 2 64 LEU MD2 2 68 HIS HE1 2.500 . 3.800 1.811 1.811 1.811 . 0 0 "[ ]" 2 1050 2 64 LEU MD1 2 68 HIS HE1 3.000 . 4.300 3.382 3.382 3.382 . 0 0 "[ ]" 2 1051 2 69 ASN HA 2 69 ASN HB3 3.000 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 2 1052 2 69 ASN HA 2 70 PRO HD3 2.500 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 2 1053 2 69 ASN HA 2 70 PRO HD2 2.500 . 2.800 2.096 2.096 2.096 . 0 0 "[ ]" 2 1054 2 66 ASN HB2 2 72 ALA MB 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 2 1055 2 69 ASN HB3 2 72 ALA MB 3.000 . 4.300 2.784 2.784 2.784 . 0 0 "[ ]" 2 1056 2 69 ASN HB2 2 72 ALA MB 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 2 1057 2 62 LEU MD2 2 75 ALA HA 3.000 . 4.300 2.834 2.834 2.834 . 0 0 "[ ]" 2 1058 2 62 LEU MD1 2 76 PRO HA 4.000 . 5.300 4.273 4.273 4.273 . 0 0 "[ ]" 2 1059 2 76 PRO QB 2 111 CYS QB 4.000 . 6.300 3.025 3.025 3.025 . 0 0 "[ ]" 2 1060 2 75 ALA HA 2 76 PRO QD 2.500 . 3.800 2.302 2.302 2.302 . 0 0 "[ ]" 2 1061 2 78 CYS HA 2 111 CYS HA 2.500 . 2.800 2.083 2.083 2.083 . 0 0 "[ ]" 2 1062 2 79 VAL HA 2 79 VAL MG1 3.000 . 4.300 2.507 2.507 2.507 . 0 0 "[ ]" 2 1063 2 79 VAL MG1 2 112 SER HB3 3.000 . 4.300 2.676 2.676 2.676 . 0 0 "[ ]" 2 1064 2 79 VAL MG1 2 112 SER HB2 3.000 . 4.300 3.199 3.199 3.199 . 0 0 "[ ]" 2 1065 2 79 VAL MG2 2 112 SER HB3 3.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 2 1066 2 79 VAL MG2 2 112 SER HB2 3.000 . 4.300 2.664 2.664 2.664 . 0 0 "[ ]" 2 1067 2 80 PRO HA 2 83 LEU MD2 4.000 . 5.300 4.299 4.299 4.299 . 0 0 "[ ]" 2 1068 2 80 PRO HA 2 106 VAL MG1 3.000 . 4.300 2.876 2.876 2.876 . 0 0 "[ ]" 2 1069 2 80 PRO HA 2 106 VAL MG2 3.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 2 1070 2 80 PRO HA 2 109 CYS HB3 4.000 . 4.300 4.027 4.027 4.027 . 0 0 "[ ]" 2 1071 2 80 PRO HA 2 109 CYS HA 2.500 . 2.800 2.003 2.003 2.003 . 0 0 "[ ]" 2 1072 2 79 VAL HA 2 80 PRO QD 2.500 . 3.800 2.037 2.037 2.037 . 0 0 "[ ]" 2 1073 2 83 LEU HA 2 83 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2 1074 2 83 LEU HA 2 83 LEU HB3 2.500 . 2.800 2.503 2.503 2.503 . 0 0 "[ ]" 2 1075 2 83 LEU HA 2 83 LEU MD2 3.000 . 4.300 2.373 2.373 2.373 . 0 0 "[ ]" 2 1076 2 83 LEU HA 2 83 LEU MD1 4.000 . 5.300 3.827 3.827 3.827 . 0 0 "[ ]" 2 1077 2 83 LEU HA 2 106 VAL HA 2.500 . 2.800 2.195 2.195 2.195 . 0 0 "[ ]" 2 1078 2 80 PRO HB3 2 83 LEU MD2 2.500 . 3.800 3.079 3.079 3.079 . 0 0 "[ ]" 2 1079 2 80 PRO HB2 2 83 LEU MD2 2.500 . 3.800 2.116 2.116 2.116 . 0 0 "[ ]" 2 1080 2 80 PRO QG 2 83 LEU MD2 3.000 . 5.300 2.757 2.757 2.757 . 0 0 "[ ]" 2 1081 2 83 LEU HB3 2 83 LEU MD2 3.000 . 4.300 2.067 2.067 2.067 . 0 0 "[ ]" 2 1082 2 83 LEU MD2 2 106 VAL HA 2.500 . 3.800 1.912 1.912 1.912 . 0 0 "[ ]" 2 1083 2 83 LEU MD2 2 106 VAL MG1 4.000 . 6.300 3.303 3.303 3.303 . 0 0 "[ ]" 2 1084 2 83 LEU MD2 2 106 VAL MG2 2.500 . 4.800 1.807 1.807 1.807 . 0 0 "[ ]" 2 1085 2 83 LEU HB3 2 83 LEU MD1 3.000 . 4.300 2.670 2.670 2.670 . 0 0 "[ ]" 2 1086 2 83 LEU HB2 2 83 LEU MD1 3.000 . 4.300 2.137 2.137 2.137 . 0 0 "[ ]" 2 1087 2 83 LEU MD1 2 103 ASN HB3 2.500 . 3.800 1.846 1.846 1.846 . 0 0 "[ ]" 2 1088 2 83 LEU MD1 2 103 ASN HB2 3.000 . 4.300 3.400 3.400 3.400 . 0 0 "[ ]" 2 1089 2 85 PRO HA 2 102 SER HA 3.000 . 3.300 2.226 2.226 2.226 . 0 0 "[ ]" 2 1090 2 85 PRO QB 2 102 SER QB 4.000 . 6.300 4.186 4.186 4.186 . 0 0 "[ ]" 2 1091 2 85 PRO QG 2 102 SER HA 4.000 . 5.300 4.449 4.449 4.449 . 0 0 "[ ]" 2 1092 2 84 GLU HA 2 85 PRO QD 2.500 . 3.800 1.955 1.955 1.955 . 0 0 "[ ]" 2 1093 2 86 LEU HA 2 86 LEU MD1 2.500 . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 2 1094 2 86 LEU HA 2 105 ILE MD 4.000 . 5.300 2.893 2.893 2.893 . 0 0 "[ ]" 2 1095 2 86 LEU MD1 2 105 ILE MD 3.000 . 5.300 3.031 3.031 3.031 . 0 0 "[ ]" 2 1096 2 33 ILE MD 2 86 LEU MD1 4.000 . 6.300 4.242 4.242 4.242 . 0 0 "[ ]" 2 1097 2 86 LEU MD1 2 101 LEU MD1 4.000 . 6.300 3.903 3.903 3.903 . 0 0 "[ ]" 2 1098 2 86 LEU MD1 2 104 MET ME 4.000 . 6.300 3.371 3.371 3.371 . 0 0 "[ ]" 2 1099 2 24 PHE HE1 2 86 LEU MD2 4.000 . 5.300 3.100 3.100 3.100 . 0 0 "[ ]" 2 1100 2 36 PRO QG 2 86 LEU MD2 4.500 . 6.800 4.553 4.553 4.553 . 0 0 "[ ]" 2 1101 2 86 LEU MD2 2 88 ILE MG 2.500 . 4.800 1.723 1.723 1.723 0.077 1 0 "[ ]" 2 1102 2 86 LEU MD2 2 101 LEU MD1 2.500 . 4.800 1.713 1.713 1.713 0.087 1 0 "[ ]" 2 1103 2 86 LEU MD2 2 104 MET ME 2.500 . 4.800 1.738 1.738 1.738 0.062 1 0 "[ ]" 2 1104 2 87 PRO HA 2 100 GLN HA 2.500 . 2.800 2.184 2.184 2.184 . 0 0 "[ ]" 2 1105 2 87 PRO HA 2 98 VAL QG 4.000 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 2 1106 2 87 PRO HA 2 100 GLN QG 3.000 . 4.300 2.417 2.417 2.417 . 0 0 "[ ]" 2 1107 2 86 LEU HA 2 87 PRO QD 2.500 . 3.800 1.875 1.875 1.875 . 0 0 "[ ]" 2 1108 2 33 ILE MG 2 88 ILE HA 4.000 . 5.300 4.107 4.107 4.107 . 0 0 "[ ]" 2 1109 2 36 PRO QD 2 88 ILE HA 2.500 . 3.800 1.837 1.837 1.837 . 0 0 "[ ]" 2 1110 2 88 ILE HA 2 88 ILE HB 3.000 . 3.300 2.368 2.368 2.368 . 0 0 "[ ]" 2 1111 2 88 ILE HA 2 88 ILE MG 3.000 . 4.300 2.546 2.546 2.546 . 0 0 "[ ]" 2 1112 2 88 ILE HA 2 88 ILE MD 4.000 . 5.300 4.125 4.125 4.125 . 0 0 "[ ]" 2 1113 2 33 ILE MG 2 88 ILE HB 3.000 . 4.300 2.424 2.424 2.424 . 0 0 "[ ]" 2 1114 2 88 ILE HB 2 88 ILE MD 3.000 . 4.300 2.388 2.388 2.388 . 0 0 "[ ]" 2 1115 2 88 ILE MD 2 88 ILE MG 3.000 . 5.300 1.822 1.822 1.822 . 0 0 "[ ]" 2 1116 2 88 ILE MG 2 101 LEU MD1 2.500 . 4.800 2.472 2.472 2.472 . 0 0 "[ ]" 2 1117 2 88 ILE MG 2 101 LEU MD2 3.000 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 2 1118 2 32 TRP HH2 2 88 ILE MD 2.500 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 2 1119 2 33 ILE HA 2 88 ILE MD 4.000 . 5.300 3.801 3.801 3.801 . 0 0 "[ ]" 2 1120 2 33 ILE HB 2 88 ILE MD 4.000 . 5.300 4.206 4.206 4.206 . 0 0 "[ ]" 2 1121 2 33 ILE HG13 2 88 ILE MD 3.000 . 4.300 3.023 3.023 3.023 . 0 0 "[ ]" 2 1122 2 33 ILE HG12 2 88 ILE MD 2.500 . 3.800 1.819 1.819 1.819 . 0 0 "[ ]" 2 1123 2 33 ILE MG 2 88 ILE MD 2.500 . 4.800 2.852 2.852 2.852 . 0 0 "[ ]" 2 1124 2 88 ILE MD 2 90 TYR HB3 4.000 . 5.300 3.514 3.514 3.514 . 0 0 "[ ]" 2 1125 2 88 ILE MD 2 90 TYR HD1 2.500 . 3.800 1.902 1.902 1.902 . 0 0 "[ ]" 2 1126 2 88 ILE MD 2 90 TYR HE1 3.000 . 4.300 2.150 2.150 2.150 . 0 0 "[ ]" 2 1127 2 88 ILE MD 2 101 LEU HG 3.000 . 4.300 2.055 2.055 2.055 . 0 0 "[ ]" 2 1128 2 88 ILE MD 2 101 LEU MD2 2.500 . 4.800 1.830 1.830 1.830 . 0 0 "[ ]" 2 1129 2 88 ILE MD 2 101 LEU MD1 2.500 . 4.800 2.451 2.451 2.451 . 0 0 "[ ]" 2 1130 2 89 VAL HA 2 98 VAL HA 2.500 . 2.800 1.897 1.897 1.897 . 0 0 "[ ]" 2 1131 2 88 ILE MD 2 89 VAL HA 4.000 . 5.300 4.509 4.509 4.509 . 0 0 "[ ]" 2 1132 2 89 VAL HA 2 89 VAL MG1 2.500 . 3.800 2.127 2.127 2.127 . 0 0 "[ ]" 2 1133 2 89 VAL HA 2 89 VAL MG2 2.500 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 2 1134 2 89 VAL HA 2 90 TYR HD1 4.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 2 1135 2 89 VAL HA 2 98 VAL QG 3.000 . 5.000 2.615 2.615 2.615 . 0 0 "[ ]" 2 1136 2 34 HIS HD2 2 89 VAL MG1 3.000 . 4.300 3.311 3.311 3.311 . 0 0 "[ ]" 2 1137 2 89 VAL MG1 2 96 PRO QB 4.000 . 6.300 3.198 3.198 3.198 . 0 0 "[ ]" 2 1138 2 34 HIS HD2 2 89 VAL MG2 4.000 . 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 2 1139 2 33 ILE MG 2 90 TYR HA 4.000 . 5.300 4.271 4.271 4.271 . 0 0 "[ ]" 2 1140 2 89 VAL MG1 2 90 TYR HA 4.000 . 5.300 4.039 4.039 4.039 . 0 0 "[ ]" 2 1141 2 90 TYR HA 2 90 TYR HB3 3.000 . 3.300 2.322 2.322 2.322 . 0 0 "[ ]" 2 1142 2 90 TYR HA 2 91 TYR HD1 4.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 2 1143 2 33 ILE MG 2 90 TYR HD1 4.000 . 5.300 3.874 3.874 3.874 . 0 0 "[ ]" 2 1144 2 33 ILE QG 2 90 TYR HD1 3.000 . 4.300 2.713 2.713 2.713 . 0 0 "[ ]" 2 1145 2 88 ILE HG13 2 90 TYR HD1 3.000 . 3.300 1.815 1.815 1.815 . 0 0 "[ ]" 2 1146 2 88 ILE HG12 2 90 TYR HD1 4.000 . 4.300 3.181 3.181 3.181 . 0 0 "[ ]" 2 1147 2 90 TYR HB3 2 90 TYR HD1 3.000 . 3.300 2.487 2.487 2.487 . 0 0 "[ ]" 2 1148 2 90 TYR HD1 2 99 GLU HB2 4.000 . 4.300 4.244 4.244 4.244 . 0 0 "[ ]" 2 1149 2 90 TYR HB2 2 90 TYR HD2 3.000 . 3.300 2.405 2.405 2.405 . 0 0 "[ ]" 2 1150 2 90 TYR HD2 2 92 VAL MG2 3.000 . 4.300 2.464 2.464 2.464 . 0 0 "[ ]" 2 1151 2 90 TYR HD2 2 97 LYS QB 4.000 . 5.300 3.813 3.813 3.813 . 0 0 "[ ]" 2 1152 2 90 TYR HD2 2 97 LYS QG 4.000 . 5.300 4.495 4.495 4.495 . 0 0 "[ ]" 2 1153 2 32 TRP HZ3 2 90 TYR HE2 4.000 . 4.300 4.362 4.362 4.362 0.062 1 0 "[ ]" 2 1154 2 90 TYR HE2 2 92 VAL MG2 2.500 . 3.800 2.820 2.820 2.820 . 0 0 "[ ]" 2 1155 2 90 TYR HE2 2 97 LYS HB3 4.000 . 4.300 4.312 4.312 4.312 0.012 1 0 "[ ]" 2 1156 2 90 TYR HE2 2 97 LYS HB2 4.000 . 4.300 3.046 3.046 3.046 . 0 0 "[ ]" 2 1157 2 90 TYR HE2 2 97 LYS QG 4.000 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 2 1158 2 90 TYR HE2 2 97 LYS QD 4.000 . 5.300 4.358 4.358 4.358 . 0 0 "[ ]" 2 1159 2 32 TRP HZ3 2 90 TYR HE1 4.000 . 4.300 3.532 3.532 3.532 . 0 0 "[ ]" 2 1160 2 88 ILE HG13 2 90 TYR HE1 3.000 . 3.300 2.691 2.691 2.691 . 0 0 "[ ]" 2 1161 2 90 TYR HE1 2 99 GLU HB2 2.500 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 2 1162 2 90 TYR HE1 2 99 GLU HB3 2.500 . 2.800 2.820 2.820 2.820 0.020 1 0 "[ ]" 2 1163 2 90 TYR HE1 2 99 GLU QG 3.000 . 4.300 3.758 3.758 3.758 . 0 0 "[ ]" 2 1164 2 91 TYR HA 2 91 TYR HB3 2.500 . 2.800 2.687 2.687 2.687 . 0 0 "[ ]" 2 1165 2 91 TYR HA 2 91 TYR HD2 4.000 . 4.300 3.056 3.056 3.056 . 0 0 "[ ]" 2 1166 2 91 TYR HA 2 91 TYR HD1 4.000 . 4.300 3.598 3.598 3.598 . 0 0 "[ ]" 2 1167 2 91 TYR HA 2 96 PRO HA 2.500 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 2 1168 2 34 HIS QB 2 91 TYR HD1 3.000 . 4.300 2.950 2.950 2.950 . 0 0 "[ ]" 2 1169 2 91 TYR HB2 2 91 TYR HD1 3.000 . 3.300 2.436 2.436 2.436 . 0 0 "[ ]" 2 1170 2 91 TYR HB3 2 91 TYR HD2 3.000 . 3.300 2.430 2.430 2.430 . 0 0 "[ ]" 2 1171 2 91 TYR HD2 2 94 ARG HA 3.000 . 3.300 3.236 3.236 3.236 . 0 0 "[ ]" 2 1172 2 91 TYR HD2 2 95 LYS HA 4.000 . 4.300 4.239 4.239 4.239 . 0 0 "[ ]" 2 1173 2 91 TYR HD2 2 96 PRO HA 3.000 . 3.300 3.373 3.373 3.373 0.073 1 0 "[ ]" 2 1174 2 34 HIS HB3 2 91 TYR HE1 4.000 . 4.300 3.970 3.970 3.970 . 0 0 "[ ]" 2 1175 2 34 HIS HB2 2 91 TYR HE1 4.000 . 4.300 3.876 3.876 3.876 . 0 0 "[ ]" 2 1176 2 89 VAL MG1 2 91 TYR HE1 4.000 . 5.300 3.976 3.976 3.976 . 0 0 "[ ]" 2 1177 2 91 TYR HE1 2 96 PRO QB 3.000 . 4.300 3.408 3.408 3.408 . 0 0 "[ ]" 2 1178 2 91 TYR HE2 2 94 ARG HA 4.000 . 4.300 4.370 4.370 4.370 0.070 1 0 "[ ]" 2 1179 2 91 TYR HE2 2 95 LYS HA 4.000 . 4.300 4.203 4.203 4.203 . 0 0 "[ ]" 2 1180 2 91 TYR HE2 2 96 PRO HA 4.000 . 4.300 3.879 3.879 3.879 . 0 0 "[ ]" 2 1181 2 91 TYR HE2 2 96 PRO QB 3.000 . 4.300 2.787 2.787 2.787 . 0 0 "[ ]" 2 1182 2 91 TYR HE2 2 96 PRO QG 4.000 . 5.300 2.859 2.859 2.859 . 0 0 "[ ]" 2 1183 2 91 TYR HE2 2 96 PRO QD 3.000 . 4.300 2.551 2.551 2.551 . 0 0 "[ ]" 2 1184 2 91 TYR QB 2 92 VAL HA 4.000 . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 2 1185 2 92 VAL HA 2 92 VAL MG1 2.500 . 3.800 1.994 1.994 1.994 . 0 0 "[ ]" 2 1186 2 92 VAL HA 2 92 VAL MG2 2.500 . 3.800 2.640 2.640 2.640 . 0 0 "[ ]" 2 1187 2 92 VAL HB 2 95 LYS QB 4.000 . 5.300 3.478 3.478 3.478 . 0 0 "[ ]" 2 1188 2 94 ARG HA 2 94 ARG HB2 3.000 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 2 1189 2 94 ARG HA 2 94 ARG HB3 2.500 . 2.800 2.435 2.435 2.435 . 0 0 "[ ]" 2 1190 2 89 VAL MG1 2 96 PRO HA 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 2 1191 2 91 TYR QB 2 96 PRO HA 4.000 . 5.300 4.067 4.067 4.067 . 0 0 "[ ]" 2 1192 2 95 LYS HA 2 96 PRO QD 2.500 . 3.800 1.870 1.870 1.870 . 0 0 "[ ]" 2 1193 2 89 VAL MG1 2 98 VAL HA 4.000 . 5.300 2.855 2.855 2.855 . 0 0 "[ ]" 2 1194 2 89 VAL MG2 2 98 VAL HA 3.000 . 4.300 2.704 2.704 2.704 . 0 0 "[ ]" 2 1195 2 98 VAL HA 2 98 VAL HB 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 2 1196 2 98 VAL HA 2 98 VAL QG 2.500 . 4.500 2.064 2.064 2.064 . 0 0 "[ ]" 2 1197 2 99 GLU HA 2 99 GLU HB2 3.000 . 3.300 2.833 2.833 2.833 . 0 0 "[ ]" 2 1198 2 99 GLU HA 2 99 GLU HB3 2.500 . 2.800 2.861 2.861 2.861 0.061 1 0 "[ ]" 2 1199 2 101 LEU HA 2 101 LEU HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 2 1200 2 101 LEU HA 2 101 LEU HB3 2.500 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 2 1201 2 101 LEU HA 2 101 LEU MD1 4.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 2 1202 2 101 LEU HA 2 101 LEU MD2 2.500 . 3.800 1.847 1.847 1.847 . 0 0 "[ ]" 2 1203 2 101 LEU HB2 2 101 LEU MD1 3.000 . 4.300 2.597 2.597 2.597 . 0 0 "[ ]" 2 1204 2 101 LEU HB3 2 101 LEU MD1 3.000 . 4.300 2.064 2.064 2.064 . 0 0 "[ ]" 2 1205 2 88 ILE MG 2 101 LEU HB2 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 2 1206 2 88 ILE MD 2 101 LEU HB2 4.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 2 1207 2 88 ILE MG 2 101 LEU HG 2.500 . 3.800 2.118 2.118 2.118 . 0 0 "[ ]" 2 1208 2 24 PHE HE1 2 101 LEU MD1 4.000 . 5.300 3.179 3.179 3.179 . 0 0 "[ ]" 2 1209 2 32 TRP HH2 2 101 LEU MD1 3.000 . 4.300 1.960 1.960 1.960 . 0 0 "[ ]" 2 1210 2 32 TRP HZ2 2 101 LEU MD1 2.500 . 3.800 2.078 2.078 2.078 . 0 0 "[ ]" 2 1211 2 101 LEU MD1 2 104 MET ME 2.500 . 4.800 1.936 1.936 1.936 . 0 0 "[ ]" 2 1212 2 32 TRP HH2 2 101 LEU MD2 2.500 . 3.800 1.818 1.818 1.818 . 0 0 "[ ]" 2 1213 2 32 TRP HZ2 2 101 LEU MD2 4.000 . 5.300 3.556 3.556 3.556 . 0 0 "[ ]" 2 1214 2 88 ILE HG13 2 101 LEU MD2 4.000 . 5.300 4.279 4.279 4.279 . 0 0 "[ ]" 2 1215 2 101 LEU HB3 2 101 LEU MD2 3.000 . 4.300 2.569 2.569 2.569 . 0 0 "[ ]" 2 1216 2 101 LEU MD2 2 104 MET ME 4.000 . 6.300 4.260 4.260 4.260 . 0 0 "[ ]" 2 1217 2 85 PRO QB 2 102 SER HA 3.000 . 4.300 2.574 2.574 2.574 . 0 0 "[ ]" 2 1218 2 83 LEU HA 2 103 ASN HA 4.000 . 4.300 4.320 4.320 4.320 0.020 1 0 "[ ]" 2 1219 2 83 LEU HB3 2 103 ASN HA 2.500 . 2.800 1.993 1.993 1.993 . 0 0 "[ ]" 2 1220 2 83 LEU HB2 2 103 ASN HA 2.500 . 2.800 2.276 2.276 2.276 . 0 0 "[ ]" 2 1221 2 83 LEU MD2 2 103 ASN HA 3.000 . 4.300 3.458 3.458 3.458 . 0 0 "[ ]" 2 1222 2 83 LEU MD1 2 103 ASN HA 3.000 . 4.300 3.054 3.054 3.054 . 0 0 "[ ]" 2 1223 2 30 TRP HZ3 2 104 MET ME 4.000 . 5.300 1.804 1.804 1.804 . 0 0 "[ ]" 2 1224 2 41 ALA MB 2 105 ILE HA 4.000 . 5.300 3.664 3.664 3.664 . 0 0 "[ ]" 2 1225 2 105 ILE HA 2 105 ILE MG 3.000 . 4.300 2.336 2.336 2.336 . 0 0 "[ ]" 2 1226 2 105 ILE HA 2 105 ILE MD 4.000 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 2 1227 2 84 GLU HB2 2 105 ILE HB 2.500 . 2.800 1.872 1.872 1.872 . 0 0 "[ ]" 2 1228 2 84 GLU HB3 2 105 ILE HB 3.000 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 2 1229 2 39 TYR QB 2 105 ILE MD 4.000 . 6.300 3.191 3.191 3.191 . 0 0 "[ ]" 2 1230 2 84 GLU HB3 2 105 ILE MD 3.000 . 4.300 2.436 2.436 2.436 . 0 0 "[ ]" 2 1231 2 84 GLU HB2 2 105 ILE MD 3.000 . 4.300 3.167 3.167 3.167 . 0 0 "[ ]" 2 1232 2 105 ILE HB 2 105 ILE MD 3.000 . 4.300 2.386 2.386 2.386 . 0 0 "[ ]" 2 1233 2 105 ILE MD 2 105 ILE MG 2.500 . 4.800 1.698 1.698 1.698 0.102 1 0 "[ ]" 2 1234 2 41 ALA HA 2 105 ILE MG 3.000 . 4.300 2.850 2.850 2.850 . 0 0 "[ ]" 2 1235 2 84 GLU HB3 2 105 ILE MG 4.000 . 5.300 3.242 3.242 3.242 . 0 0 "[ ]" 2 1236 2 84 GLU HB2 2 105 ILE MG 3.000 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 2 1237 2 105 ILE MG 2 106 VAL MG1 4.000 . 6.300 4.238 4.238 4.238 . 0 0 "[ ]" 2 1238 2 106 VAL HA 2 106 VAL HB 3.000 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 2 1239 2 80 PRO QB 2 106 VAL HB 4.000 . 5.300 3.966 3.966 3.966 . 0 0 "[ ]" 2 1240 2 42 ASN QB 2 106 VAL MG1 2.500 . 4.800 2.569 2.569 2.569 . 0 0 "[ ]" 2 1241 2 80 PRO QB 2 106 VAL MG1 3.000 . 5.300 2.462 2.462 2.462 . 0 0 "[ ]" 2 1242 2 106 VAL HA 2 106 VAL MG1 3.000 . 4.300 2.520 2.520 2.520 . 0 0 "[ ]" 2 1243 2 42 ASN HB3 2 106 VAL MG2 3.000 . 4.300 3.551 3.551 3.551 . 0 0 "[ ]" 2 1244 2 42 ASN HB2 2 106 VAL MG2 3.000 . 4.300 3.559 3.559 3.559 . 0 0 "[ ]" 2 1245 2 80 PRO QB 2 106 VAL MG2 2.500 . 4.800 1.670 1.670 1.670 0.130 1 0 "[ ]" 2 1246 2 80 PRO QG 2 106 VAL MG2 3.000 . 5.300 2.727 2.727 2.727 . 0 0 "[ ]" 2 1247 2 106 VAL HA 2 106 VAL MG2 2.500 . 3.800 2.145 2.145 2.145 . 0 0 "[ ]" 2 1248 2 4 THR MG 2 107 ARG HA 3.000 . 4.300 2.466 2.466 2.466 . 0 0 "[ ]" 2 1249 2 80 PRO QB 2 109 CYS HA 4.000 . 5.300 3.916 3.916 3.916 . 0 0 "[ ]" 2 1250 2 106 VAL MG1 2 109 CYS HA 4.000 . 5.300 3.739 3.739 3.739 . 0 0 "[ ]" 2 1251 2 109 CYS HA 2 109 CYS HB3 2.500 . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 2 1252 2 53 SER QB 2 110 LYS HA 4.000 . 5.300 4.245 4.245 4.245 . 0 0 "[ ]" 2 1253 2 2 LEU MD1 2 110 LYS HA 3.000 . 4.300 3.252 3.252 3.252 . 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 208 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 0.903 _Distance_constraint_stats_list.Viol_max 0.171 _Distance_constraint_stats_list.Viol_rms 0.0229 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0043 _Distance_constraint_stats_list.Viol_average_violations_only 0.1003 _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 20 LEU 0.119 0.119 1 0 "[ ]" 1 22 ILE 0.000 0.000 . 0 "[ ]" 1 27 ASP 0.000 0.000 . 0 "[ ]" 1 28 LEU 0.269 0.171 1 0 "[ ]" 1 30 TRP 0.000 0.000 . 0 "[ ]" 1 41 ALA 0.000 0.000 . 0 "[ ]" 1 43 PHE 0.000 0.000 . 0 "[ ]" 1 45 LEU 0.000 0.000 . 0 "[ ]" 1 56 THR 0.035 0.035 1 0 "[ ]" 1 57 GLN 0.000 0.000 . 0 "[ ]" 1 58 TYR 0.000 0.000 . 0 "[ ]" 1 61 VAL 0.170 0.170 1 0 "[ ]" 1 62 LEU 0.118 0.118 1 0 "[ ]" 1 64 LEU 0.000 0.000 . 0 "[ ]" 1 65 TYR 0.099 0.099 1 0 "[ ]" 1 68 HIS 0.000 0.000 . 0 "[ ]" 1 73 SER 0.000 0.000 . 0 "[ ]" 1 74 ALA 0.000 0.000 . 0 "[ ]" 1 75 ALA 0.000 0.000 . 0 "[ ]" 1 77 CYS 0.000 0.000 . 0 "[ ]" 1 79 VAL 0.000 0.000 . 0 "[ ]" 1 80 PRO 0.000 0.000 . 0 "[ ]" 1 83 LEU 0.028 0.028 1 0 "[ ]" 1 102 SER 0.000 0.000 . 0 "[ ]" 1 103 ASN 0.000 0.000 . 0 "[ ]" 1 104 MET 0.065 0.065 1 0 "[ ]" 1 106 VAL 0.000 0.000 . 0 "[ ]" 1 112 SER 0.000 0.000 . 0 "[ ]" 2 20 LEU 0.118 0.118 1 0 "[ ]" 2 22 ILE 0.000 0.000 . 0 "[ ]" 2 27 ASP 0.000 0.000 . 0 "[ ]" 2 28 LEU 0.269 0.170 1 0 "[ ]" 2 30 TRP 0.000 0.000 . 0 "[ ]" 2 41 ALA 0.000 0.000 . 0 "[ ]" 2 43 PHE 0.000 0.000 . 0 "[ ]" 2 45 LEU 0.000 0.000 . 0 "[ ]" 2 56 THR 0.028 0.028 1 0 "[ ]" 2 57 GLN 0.000 0.000 . 0 "[ ]" 2 58 TYR 0.000 0.000 . 0 "[ ]" 2 61 VAL 0.236 0.171 1 0 "[ ]" 2 62 LEU 0.119 0.119 1 0 "[ ]" 2 64 LEU 0.000 0.000 . 0 "[ ]" 2 65 TYR 0.098 0.098 1 0 "[ ]" 2 68 HIS 0.000 0.000 . 0 "[ ]" 2 73 SER 0.000 0.000 . 0 "[ ]" 2 74 ALA 0.000 0.000 . 0 "[ ]" 2 75 ALA 0.000 0.000 . 0 "[ ]" 2 77 CYS 0.000 0.000 . 0 "[ ]" 2 79 VAL 0.000 0.000 . 0 "[ ]" 2 80 PRO 0.000 0.000 . 0 "[ ]" 2 83 LEU 0.035 0.035 1 0 "[ ]" 2 102 SER 0.000 0.000 . 0 "[ ]" 2 103 ASN 0.000 0.000 . 0 "[ ]" 2 104 MET 0.000 0.000 . 0 "[ ]" 2 106 VAL 0.000 0.000 . 0 "[ ]" 2 112 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 28 LEU H 2 65 TYR HD1 4.000 . 4.300 4.398 4.398 4.398 0.098 1 0 "[ ]" 3 2 1 57 GLN H 2 103 ASN HB2 3.000 . 3.300 2.250 2.250 2.250 . 0 0 "[ ]" 3 3 1 57 GLN H 2 103 ASN HB3 3.000 . 3.300 2.160 2.160 2.160 . 0 0 "[ ]" 3 4 1 58 TYR H 2 83 LEU MD1 3.000 . 4.300 3.043 3.043 3.043 . 0 0 "[ ]" 3 5 1 58 TYR H 2 103 ASN HB3 4.000 . 4.300 2.976 2.976 2.976 . 0 0 "[ ]" 3 6 1 58 TYR H 2 104 MET HA 4.000 . 4.300 3.605 3.605 3.605 . 0 0 "[ ]" 3 7 1 64 LEU H 2 28 LEU MD2 4.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 3 8 1 65 TYR H 2 28 LEU MD2 2.500 . 3.800 2.154 2.154 2.154 . 0 0 "[ ]" 3 9 1 75 ALA H 2 45 LEU MD2 4.000 . 5.300 3.765 3.765 3.765 . 0 0 "[ ]" 3 10 1 77 CYS H 2 79 VAL MG1 4.000 . 5.300 4.164 4.164 4.164 . 0 0 "[ ]" 3 11 1 102 SER H 2 57 GLN QG 4.000 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 3 12 1 112 SER H 2 79 VAL MG1 4.000 . 5.300 3.265 3.265 3.265 . 0 0 "[ ]" 3 13 1 112 SER H 2 79 VAL MG2 4.000 . 5.300 4.267 4.267 4.267 . 0 0 "[ ]" 3 14 1 65 TYR HD1 2 28 LEU H 4.000 . 4.300 4.399 4.399 4.399 0.099 1 0 "[ ]" 3 15 1 103 ASN HB2 2 57 GLN H 3.000 . 3.300 2.243 2.243 2.243 . 0 0 "[ ]" 3 16 1 103 ASN HB3 2 57 GLN H 3.000 . 3.300 2.165 2.165 2.165 . 0 0 "[ ]" 3 17 1 83 LEU MD1 2 58 TYR H 3.000 . 4.300 3.183 3.183 3.183 . 0 0 "[ ]" 3 18 1 103 ASN HB3 2 58 TYR H 4.000 . 4.300 2.984 2.984 2.984 . 0 0 "[ ]" 3 19 1 104 MET HA 2 58 TYR H 4.000 . 4.300 3.599 3.599 3.599 . 0 0 "[ ]" 3 20 1 28 LEU MD2 2 64 LEU H 4.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 3 21 1 28 LEU MD2 2 65 TYR H 2.500 . 3.800 2.155 2.155 2.155 . 0 0 "[ ]" 3 22 1 45 LEU MD2 2 75 ALA H 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 3 23 1 79 VAL MG1 2 77 CYS H 4.000 . 5.300 4.140 4.140 4.140 . 0 0 "[ ]" 3 24 1 57 GLN QG 2 102 SER H 4.000 . 5.300 4.401 4.401 4.401 . 0 0 "[ ]" 3 25 1 79 VAL MG1 2 112 SER H 4.000 . 5.300 3.260 3.260 3.260 . 0 0 "[ ]" 3 26 1 79 VAL MG2 2 112 SER H 4.000 . 5.300 4.263 4.263 4.263 . 0 0 "[ ]" 3 27 1 20 LEU MD2 2 62 LEU MD1 2.500 . 4.800 1.681 1.681 1.681 0.119 1 0 "[ ]" 3 28 1 20 LEU MD2 2 62 LEU MD2 4.000 . 6.300 3.408 3.408 3.408 . 0 0 "[ ]" 3 29 1 20 LEU MD2 2 65 TYR HE2 4.000 . 5.300 3.543 3.543 3.543 . 0 0 "[ ]" 3 30 1 20 LEU MD1 2 65 TYR HE2 4.000 . 5.300 2.195 2.195 2.195 . 0 0 "[ ]" 3 31 1 20 LEU MD1 2 65 TYR HE1 3.000 . 4.300 3.316 3.316 3.316 . 0 0 "[ ]" 3 32 1 22 ILE HA 2 65 TYR HD1 4.000 . 4.300 3.365 3.365 3.365 . 0 0 "[ ]" 3 33 1 22 ILE HA 2 65 TYR HE1 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3 34 1 22 ILE MG 2 61 VAL MG1 3.000 . 5.300 2.790 2.790 2.790 . 0 0 "[ ]" 3 35 1 22 ILE MG 2 65 TYR HD1 2.500 . 3.800 1.843 1.843 1.843 . 0 0 "[ ]" 3 36 1 22 ILE MG 2 65 TYR HE1 3.000 . 4.300 3.411 3.411 3.411 . 0 0 "[ ]" 3 37 1 22 ILE MD 2 61 VAL MG1 2.500 . 4.800 1.944 1.944 1.944 . 0 0 "[ ]" 3 38 1 22 ILE MD 2 62 LEU HA 3.000 . 4.300 2.767 2.767 2.767 . 0 0 "[ ]" 3 39 1 22 ILE MD 2 65 TYR HA 4.000 . 5.300 3.970 3.970 3.970 . 0 0 "[ ]" 3 40 1 22 ILE MD 2 65 TYR HE1 4.000 . 5.300 4.077 4.077 4.077 . 0 0 "[ ]" 3 41 1 22 ILE MD 2 65 TYR HD1 3.000 . 4.300 2.609 2.609 2.609 . 0 0 "[ ]" 3 42 1 22 ILE MD 2 58 TYR HE1 4.000 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 3 43 1 27 ASP HB3 2 65 TYR HE1 4.000 . 4.300 3.373 3.373 3.373 . 0 0 "[ ]" 3 44 1 27 ASP HB3 2 65 TYR HD1 2.500 . 2.800 1.864 1.864 1.864 . 0 0 "[ ]" 3 45 1 27 ASP HB2 2 65 TYR HD1 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3 46 1 27 ASP HB2 2 65 TYR HE1 4.000 . 4.300 3.554 3.554 3.554 . 0 0 "[ ]" 3 47 1 28 LEU HA 2 64 LEU HB3 3.000 . 3.300 3.063 3.063 3.063 . 0 0 "[ ]" 3 48 1 28 LEU HA 2 64 LEU MD1 4.000 . 5.300 4.272 4.272 4.272 . 0 0 "[ ]" 3 49 1 28 LEU HA 2 68 HIS HE1 4.000 . 4.300 3.992 3.992 3.992 . 0 0 "[ ]" 3 50 1 28 LEU HG 2 65 TYR HD1 4.000 . 4.300 3.676 3.676 3.676 . 0 0 "[ ]" 3 51 1 28 LEU MD1 2 61 VAL MG1 2.500 . 4.800 1.629 1.629 1.629 0.171 1 0 "[ ]" 3 52 1 28 LEU MD1 2 61 VAL HA 3.000 . 4.300 2.136 2.136 2.136 . 0 0 "[ ]" 3 53 1 28 LEU MD1 2 61 VAL MG2 2.500 . 4.800 2.439 2.439 2.439 . 0 0 "[ ]" 3 54 1 28 LEU MD1 2 62 LEU HA 4.000 . 5.300 4.248 4.248 4.248 . 0 0 "[ ]" 3 55 1 28 LEU MD1 2 64 LEU HB3 4.000 . 5.300 4.302 4.302 4.302 . 0 0 "[ ]" 3 56 1 28 LEU MD2 2 61 VAL HA 3.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 3 57 1 28 LEU MD2 2 61 VAL MG1 3.000 . 5.300 2.529 2.529 2.529 . 0 0 "[ ]" 3 58 1 28 LEU MD2 2 61 VAL MG2 4.000 . 6.300 4.190 4.190 4.190 . 0 0 "[ ]" 3 59 1 28 LEU MD2 2 62 LEU HA 4.000 . 5.300 3.359 3.359 3.359 . 0 0 "[ ]" 3 60 1 28 LEU MD2 2 64 LEU HB3 2.500 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 3 61 1 28 LEU MD2 2 64 LEU HG 4.000 . 5.300 4.128 4.128 4.128 . 0 0 "[ ]" 3 62 1 28 LEU MD2 2 64 LEU MD1 3.000 . 5.300 3.007 3.007 3.007 . 0 0 "[ ]" 3 63 1 28 LEU MD2 2 65 TYR HA 2.500 . 3.800 1.835 1.835 1.835 . 0 0 "[ ]" 3 64 1 28 LEU MD2 2 65 TYR HB3 4.000 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 3 65 1 28 LEU MD2 2 65 TYR HB2 2.500 . 3.800 2.277 2.277 2.277 . 0 0 "[ ]" 3 66 1 28 LEU MD2 2 65 TYR HD1 3.000 . 4.300 3.113 3.113 3.113 . 0 0 "[ ]" 3 67 1 28 LEU MD2 2 68 HIS HE1 4.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 3 68 1 30 TRP HD1 2 64 LEU MD1 4.000 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 3 69 1 30 TRP HZ2 2 61 VAL HA 3.000 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 3 70 1 30 TRP HZ2 2 61 VAL MG2 3.000 . 4.300 2.419 2.419 2.419 . 0 0 "[ ]" 3 71 1 30 TRP HZ2 2 64 LEU MD1 3.000 . 4.300 3.078 3.078 3.078 . 0 0 "[ ]" 3 72 1 30 TRP HH2 2 61 VAL MG2 2.500 . 3.800 1.913 1.913 1.913 . 0 0 "[ ]" 3 73 1 30 TRP HZ3 2 61 VAL MG2 2.500 . 3.800 3.196 3.196 3.196 . 0 0 "[ ]" 3 74 1 41 ALA MB 2 58 TYR HD1 3.000 . 4.300 2.728 2.728 2.728 . 0 0 "[ ]" 3 75 1 41 ALA MB 2 61 VAL MG1 3.000 . 5.300 2.954 2.954 2.954 . 0 0 "[ ]" 3 76 1 41 ALA MB 2 58 TYR HE1 2.500 . 3.800 3.052 3.052 3.052 . 0 0 "[ ]" 3 77 1 43 PHE HA 2 58 TYR HE2 4.000 . 4.300 4.265 4.265 4.265 . 0 0 "[ ]" 3 78 1 43 PHE QB 2 62 LEU MD1 3.000 . 5.300 2.703 2.703 2.703 . 0 0 "[ ]" 3 79 1 43 PHE QB 2 62 LEU MD2 3.000 . 5.300 3.172 3.172 3.172 . 0 0 "[ ]" 3 80 1 43 PHE HD2 2 62 LEU MD1 4.000 . 5.300 2.964 2.964 2.964 . 0 0 "[ ]" 3 81 1 43 PHE HD2 2 74 ALA HA 3.000 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 3 82 1 43 PHE HE1 2 74 ALA MB 4.000 . 5.300 4.347 4.347 4.347 . 0 0 "[ ]" 3 83 1 43 PHE HE2 2 74 ALA HA 2.500 . 2.800 1.836 1.836 1.836 . 0 0 "[ ]" 3 84 1 43 PHE HE2 2 74 ALA MB 3.000 . 4.300 1.849 1.849 1.849 . 0 0 "[ ]" 3 85 1 43 PHE HE2 2 62 LEU MD1 4.000 . 5.300 4.420 4.420 4.420 . 0 0 "[ ]" 3 86 1 45 LEU MD2 2 74 ALA HA 3.000 . 4.300 1.843 1.843 1.843 . 0 0 "[ ]" 3 87 1 45 LEU MD2 2 73 SER QB 4.000 . 6.300 3.573 3.573 3.573 . 0 0 "[ ]" 3 88 1 56 THR HA 2 83 LEU MD1 4.000 . 5.300 3.594 3.594 3.594 . 0 0 "[ ]" 3 89 1 56 THR HB 2 83 LEU MD1 2.500 . 3.800 1.765 1.765 1.765 0.035 1 0 "[ ]" 3 90 1 56 THR HB 2 103 ASN HB3 3.000 . 3.300 2.496 2.496 2.496 . 0 0 "[ ]" 3 91 1 56 THR HB 2 103 ASN HB2 4.000 . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 3 92 1 56 THR MG 2 83 LEU MD1 2.500 . 4.800 1.994 1.994 1.994 . 0 0 "[ ]" 3 93 1 56 THR MG 2 83 LEU MD2 4.000 . 6.300 3.637 3.637 3.637 . 0 0 "[ ]" 3 94 1 58 TYR HA 2 104 MET HA 4.000 . 4.300 3.334 3.334 3.334 . 0 0 "[ ]" 3 95 1 58 TYR HB3 2 83 LEU MD1 4.000 . 5.300 3.120 3.120 3.120 . 0 0 "[ ]" 3 96 1 58 TYR HB3 2 83 LEU MD2 2.500 . 3.800 2.190 2.190 2.190 . 0 0 "[ ]" 3 97 1 58 TYR HB2 2 83 LEU MD1 4.000 . 5.300 4.090 4.090 4.090 . 0 0 "[ ]" 3 98 1 58 TYR HB2 2 83 LEU MD2 3.000 . 4.300 2.576 2.576 2.576 . 0 0 "[ ]" 3 99 1 58 TYR HB3 2 106 VAL MG2 3.000 . 4.300 3.584 3.584 3.584 . 0 0 "[ ]" 3 100 1 58 TYR HD2 2 83 LEU MD2 4.000 . 5.300 3.110 3.110 3.110 . 0 0 "[ ]" 3 101 1 58 TYR HD2 2 83 LEU MD1 4.000 . 5.300 4.167 4.167 4.167 . 0 0 "[ ]" 3 102 1 58 TYR HD2 2 106 VAL MG2 4.000 . 5.300 3.664 3.664 3.664 . 0 0 "[ ]" 3 103 1 58 TYR HE2 2 106 VAL MG2 4.000 . 5.300 3.957 3.957 3.957 . 0 0 "[ ]" 3 104 1 58 TYR HD1 2 106 VAL MG2 4.000 . 5.300 3.487 3.487 3.487 . 0 0 "[ ]" 3 105 1 58 TYR HE1 2 106 VAL MG2 4.000 . 5.300 3.907 3.907 3.907 . 0 0 "[ ]" 3 106 1 58 TYR HE2 2 80 PRO QG 2.500 . 3.800 2.090 2.090 2.090 . 0 0 "[ ]" 3 107 1 61 VAL MG2 2 104 MET HA 4.000 . 5.300 3.599 3.599 3.599 . 0 0 "[ ]" 3 108 1 61 VAL MG2 2 104 MET ME 2.500 . 4.800 1.896 1.896 1.896 . 0 0 "[ ]" 3 109 1 74 ALA MB 2 20 LEU MD2 4.000 . 6.300 2.381 2.381 2.381 . 0 0 "[ ]" 3 110 1 74 ALA MB 2 43 PHE HD2 3.000 . 4.300 2.359 2.359 2.359 . 0 0 "[ ]" 3 111 1 79 VAL HA 2 77 CYS QB 4.000 . 5.300 3.429 3.429 3.429 . 0 0 "[ ]" 3 112 1 79 VAL HB 2 77 CYS QB 4.000 . 5.300 3.625 3.625 3.625 . 0 0 "[ ]" 3 113 1 79 VAL MG1 2 77 CYS QB 2.500 . 4.800 2.085 2.085 2.085 . 0 0 "[ ]" 3 114 1 79 VAL MG1 2 112 SER HB3 3.000 . 4.300 1.908 1.908 1.908 . 0 0 "[ ]" 3 115 1 79 VAL MG1 2 112 SER HB2 3.000 . 4.300 3.326 3.326 3.326 . 0 0 "[ ]" 3 116 1 79 VAL MG2 2 112 SER HB3 2.500 . 3.800 2.030 2.030 2.030 . 0 0 "[ ]" 3 117 1 79 VAL MG2 2 112 SER HB2 2.500 . 3.800 2.734 2.734 2.734 . 0 0 "[ ]" 3 118 1 62 LEU MD1 2 20 LEU MD2 2.500 . 4.800 1.682 1.682 1.682 0.118 1 0 "[ ]" 3 119 1 62 LEU MD2 2 20 LEU MD2 4.000 . 6.300 3.408 3.408 3.408 . 0 0 "[ ]" 3 120 1 65 TYR HE2 2 20 LEU MD2 4.000 . 5.300 3.547 3.547 3.547 . 0 0 "[ ]" 3 121 1 65 TYR HE2 2 20 LEU MD1 4.000 . 5.300 2.221 2.221 2.221 . 0 0 "[ ]" 3 122 1 65 TYR HE1 2 20 LEU MD1 3.000 . 4.300 3.292 3.292 3.292 . 0 0 "[ ]" 3 123 1 65 TYR HD1 2 22 ILE HA 4.000 . 4.300 3.366 3.366 3.366 . 0 0 "[ ]" 3 124 1 65 TYR HE1 2 22 ILE HA 3.000 . 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 3 125 1 61 VAL MG1 2 22 ILE MG 3.000 . 5.300 2.790 2.790 2.790 . 0 0 "[ ]" 3 126 1 65 TYR HD1 2 22 ILE MG 2.500 . 3.800 1.842 1.842 1.842 . 0 0 "[ ]" 3 127 1 65 TYR HE1 2 22 ILE MG 3.000 . 4.300 3.414 3.414 3.414 . 0 0 "[ ]" 3 128 1 61 VAL MG1 2 22 ILE MD 2.500 . 4.800 1.921 1.921 1.921 . 0 0 "[ ]" 3 129 1 62 LEU HA 2 22 ILE MD 3.000 . 4.300 2.797 2.797 2.797 . 0 0 "[ ]" 3 130 1 65 TYR HA 2 22 ILE MD 4.000 . 5.300 3.921 3.921 3.921 . 0 0 "[ ]" 3 131 1 65 TYR HE1 2 22 ILE MD 4.000 . 5.300 4.090 4.090 4.090 . 0 0 "[ ]" 3 132 1 65 TYR HD1 2 22 ILE MD 3.000 . 4.300 2.553 2.553 2.553 . 0 0 "[ ]" 3 133 1 58 TYR HE1 2 22 ILE MD 4.000 . 5.300 3.136 3.136 3.136 . 0 0 "[ ]" 3 134 1 65 TYR HE1 2 27 ASP HB3 4.000 . 4.300 3.377 3.377 3.377 . 0 0 "[ ]" 3 135 1 65 TYR HD1 2 27 ASP HB3 2.500 . 2.800 1.864 1.864 1.864 . 0 0 "[ ]" 3 136 1 65 TYR HD1 2 27 ASP HB2 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 3 137 1 65 TYR HE1 2 27 ASP HB2 4.000 . 4.300 3.559 3.559 3.559 . 0 0 "[ ]" 3 138 1 64 LEU HB3 2 28 LEU HA 3.000 . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 3 139 1 64 LEU MD1 2 28 LEU HA 4.000 . 5.300 4.290 4.290 4.290 . 0 0 "[ ]" 3 140 1 68 HIS HE1 2 28 LEU HA 4.000 . 4.300 3.994 3.994 3.994 . 0 0 "[ ]" 3 141 1 65 TYR HD1 2 28 LEU HG 4.000 . 4.300 3.680 3.680 3.680 . 0 0 "[ ]" 3 142 1 61 VAL MG1 2 28 LEU MD1 2.500 . 4.800 1.630 1.630 1.630 0.170 1 0 "[ ]" 3 143 1 61 VAL HA 2 28 LEU MD1 3.000 . 4.300 2.135 2.135 2.135 . 0 0 "[ ]" 3 144 1 61 VAL MG2 2 28 LEU MD1 2.500 . 4.800 2.452 2.452 2.452 . 0 0 "[ ]" 3 145 1 62 LEU HA 2 28 LEU MD1 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 3 146 1 64 LEU HB3 2 28 LEU MD1 4.000 . 5.300 4.299 4.299 4.299 . 0 0 "[ ]" 3 147 1 61 VAL HA 2 28 LEU MD2 3.000 . 4.300 3.346 3.346 3.346 . 0 0 "[ ]" 3 148 1 61 VAL MG1 2 28 LEU MD2 3.000 . 5.300 2.528 2.528 2.528 . 0 0 "[ ]" 3 149 1 61 VAL MG2 2 28 LEU MD2 4.000 . 6.300 4.198 4.198 4.198 . 0 0 "[ ]" 3 150 1 62 LEU HA 2 28 LEU MD2 4.000 . 5.300 3.359 3.359 3.359 . 0 0 "[ ]" 3 151 1 64 LEU HB3 2 28 LEU MD2 2.500 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 3 152 1 64 LEU HG 2 28 LEU MD2 4.000 . 5.300 4.127 4.127 4.127 . 0 0 "[ ]" 3 153 1 64 LEU MD1 2 28 LEU MD2 3.000 . 5.300 3.048 3.048 3.048 . 0 0 "[ ]" 3 154 1 65 TYR HA 2 28 LEU MD2 2.500 . 3.800 1.834 1.834 1.834 . 0 0 "[ ]" 3 155 1 65 TYR HB3 2 28 LEU MD2 4.000 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 3 156 1 65 TYR HB2 2 28 LEU MD2 2.500 . 3.800 2.278 2.278 2.278 . 0 0 "[ ]" 3 157 1 65 TYR HD1 2 28 LEU MD2 3.000 . 4.300 3.115 3.115 3.115 . 0 0 "[ ]" 3 158 1 68 HIS HE1 2 28 LEU MD2 4.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 3 159 1 64 LEU MD1 2 30 TRP HD1 4.000 . 5.300 3.507 3.507 3.507 . 0 0 "[ ]" 3 160 1 61 VAL HA 2 30 TRP HZ2 3.000 . 3.300 2.581 2.581 2.581 . 0 0 "[ ]" 3 161 1 61 VAL MG2 2 30 TRP HZ2 3.000 . 4.300 2.373 2.373 2.373 . 0 0 "[ ]" 3 162 1 64 LEU MD1 2 30 TRP HZ2 3.000 . 4.300 3.060 3.060 3.060 . 0 0 "[ ]" 3 163 1 61 VAL MG2 2 30 TRP HH2 2.500 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 3 164 1 61 VAL MG2 2 30 TRP HZ3 2.500 . 3.800 3.194 3.194 3.194 . 0 0 "[ ]" 3 165 1 58 TYR HD1 2 41 ALA MB 3.000 . 4.300 2.719 2.719 2.719 . 0 0 "[ ]" 3 166 1 61 VAL MG1 2 41 ALA MB 3.000 . 5.300 2.958 2.958 2.958 . 0 0 "[ ]" 3 167 1 58 TYR HE1 2 41 ALA MB 2.500 . 3.800 3.051 3.051 3.051 . 0 0 "[ ]" 3 168 1 58 TYR HE2 2 43 PHE HA 4.000 . 4.300 4.261 4.261 4.261 . 0 0 "[ ]" 3 169 1 62 LEU MD1 2 43 PHE QB 3.000 . 5.300 2.707 2.707 2.707 . 0 0 "[ ]" 3 170 1 62 LEU MD2 2 43 PHE QB 3.000 . 5.300 3.173 3.173 3.173 . 0 0 "[ ]" 3 171 1 62 LEU MD1 2 43 PHE HD2 4.000 . 5.300 2.967 2.967 2.967 . 0 0 "[ ]" 3 172 1 74 ALA HA 2 43 PHE HD2 3.000 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 3 173 1 74 ALA MB 2 43 PHE HE1 4.000 . 5.300 4.354 4.354 4.354 . 0 0 "[ ]" 3 174 1 74 ALA HA 2 43 PHE HE2 2.500 . 2.800 1.835 1.835 1.835 . 0 0 "[ ]" 3 175 1 74 ALA MB 2 43 PHE HE2 3.000 . 4.300 1.904 1.904 1.904 . 0 0 "[ ]" 3 176 1 62 LEU MD1 2 43 PHE HE2 4.000 . 5.300 4.420 4.420 4.420 . 0 0 "[ ]" 3 177 1 74 ALA HA 2 45 LEU MD2 3.000 . 4.300 1.841 1.841 1.841 . 0 0 "[ ]" 3 178 1 73 SER QB 2 45 LEU MD2 4.000 . 6.300 3.567 3.567 3.567 . 0 0 "[ ]" 3 179 1 83 LEU MD1 2 56 THR HA 4.000 . 5.300 3.604 3.604 3.604 . 0 0 "[ ]" 3 180 1 83 LEU MD1 2 56 THR HB 2.500 . 3.800 1.772 1.772 1.772 0.028 1 0 "[ ]" 3 181 1 103 ASN HB3 2 56 THR HB 3.000 . 3.300 2.493 2.493 2.493 . 0 0 "[ ]" 3 182 1 103 ASN HB2 2 56 THR HB 4.000 . 4.300 3.802 3.802 3.802 . 0 0 "[ ]" 3 183 1 83 LEU MD1 2 56 THR MG 2.500 . 4.800 2.194 2.194 2.194 . 0 0 "[ ]" 3 184 1 83 LEU MD2 2 56 THR MG 4.000 . 6.300 3.612 3.612 3.612 . 0 0 "[ ]" 3 185 1 104 MET HA 2 58 TYR HA 4.000 . 4.300 3.334 3.334 3.334 . 0 0 "[ ]" 3 186 1 83 LEU MD1 2 58 TYR HB3 4.000 . 5.300 2.962 2.962 2.962 . 0 0 "[ ]" 3 187 1 83 LEU MD2 2 58 TYR HB3 2.500 . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 3 188 1 83 LEU MD1 2 58 TYR HB2 4.000 . 5.300 4.093 4.093 4.093 . 0 0 "[ ]" 3 189 1 83 LEU MD2 2 58 TYR HB2 3.000 . 4.300 2.572 2.572 2.572 . 0 0 "[ ]" 3 190 1 106 VAL MG2 2 58 TYR HB3 3.000 . 4.300 3.583 3.583 3.583 . 0 0 "[ ]" 3 191 1 83 LEU MD2 2 58 TYR HD2 4.000 . 5.300 3.113 3.113 3.113 . 0 0 "[ ]" 3 192 1 83 LEU MD1 2 58 TYR HD2 4.000 . 5.300 3.998 3.998 3.998 . 0 0 "[ ]" 3 193 1 106 VAL MG2 2 58 TYR HD2 4.000 . 5.300 3.667 3.667 3.667 . 0 0 "[ ]" 3 194 1 106 VAL MG2 2 58 TYR HE2 4.000 . 5.300 3.959 3.959 3.959 . 0 0 "[ ]" 3 195 1 106 VAL MG2 2 58 TYR HD1 4.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 3 196 1 106 VAL MG2 2 58 TYR HE1 4.000 . 5.300 3.914 3.914 3.914 . 0 0 "[ ]" 3 197 1 80 PRO QG 2 58 TYR HE2 2.500 . 3.800 2.094 2.094 2.094 . 0 0 "[ ]" 3 198 1 104 MET HA 2 61 VAL MG2 4.000 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 3 199 1 104 MET ME 2 61 VAL MG2 2.500 . 4.800 1.735 1.735 1.735 0.065 1 0 "[ ]" 3 200 1 20 LEU MD2 2 74 ALA MB 4.000 . 6.300 2.377 2.377 2.377 . 0 0 "[ ]" 3 201 1 43 PHE HD2 2 74 ALA MB 3.000 . 4.300 2.400 2.400 2.400 . 0 0 "[ ]" 3 202 1 77 CYS QB 2 79 VAL HA 4.000 . 5.300 3.452 3.452 3.452 . 0 0 "[ ]" 3 203 1 77 CYS QB 2 79 VAL HB 4.000 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 3 204 1 77 CYS QB 2 79 VAL MG1 2.500 . 4.800 2.105 2.105 2.105 . 0 0 "[ ]" 3 205 1 112 SER HB3 2 79 VAL MG1 3.000 . 4.300 1.916 1.916 1.916 . 0 0 "[ ]" 3 206 1 112 SER HB2 2 79 VAL MG1 3.000 . 4.300 3.329 3.329 3.329 . 0 0 "[ ]" 3 207 1 112 SER HB3 2 79 VAL MG2 2.500 . 3.800 2.023 2.023 2.023 . 0 0 "[ ]" 3 208 1 112 SER HB2 2 79 VAL MG2 2.500 . 3.800 2.737 2.737 2.737 . 0 0 "[ ]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 54 _Distance_constraint_stats_list.Viol_count 4 _Distance_constraint_stats_list.Viol_total 0.152 _Distance_constraint_stats_list.Viol_max 0.069 _Distance_constraint_stats_list.Viol_rms 0.0119 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0028 _Distance_constraint_stats_list.Viol_average_violations_only 0.0380 _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 16 CYS 0.049 0.049 1 0 "[ ]" 1 18 ARG 0.000 0.000 . 0 "[ ]" 1 22 ILE 0.000 0.000 . 0 "[ ]" 1 23 ASP 0.000 0.000 . 0 "[ ]" 1 24 PHE 0.069 0.069 1 0 "[ ]" 1 25 ARG 0.000 0.000 . 0 "[ ]" 1 27 ASP 0.000 0.000 . 0 "[ ]" 1 28 LEU 0.069 0.069 1 0 "[ ]" 1 29 GLY 0.000 0.000 . 0 "[ ]" 1 39 TYR 0.000 0.000 . 0 "[ ]" 1 43 PHE 0.000 0.000 . 0 "[ ]" 1 45 LEU 0.049 0.049 1 0 "[ ]" 1 57 GLN 0.000 0.000 . 0 "[ ]" 1 58 TYR 0.000 0.000 . 0 "[ ]" 1 59 SER 0.000 0.000 . 0 "[ ]" 1 60 LYS 0.011 0.011 1 0 "[ ]" 1 61 VAL 0.000 0.000 . 0 "[ ]" 1 62 LEU 0.000 0.000 . 0 "[ ]" 1 63 ALA 0.000 0.000 . 0 "[ ]" 1 64 LEU 0.011 0.011 1 0 "[ ]" 1 65 TYR 0.000 0.000 . 0 "[ ]" 1 66 ASN 0.000 0.000 . 0 "[ ]" 1 67 GLN 0.000 0.000 . 0 "[ ]" 1 77 CYS 0.023 0.023 1 0 "[ ]" 1 79 VAL 0.000 0.000 . 0 "[ ]" 1 81 GLN 0.000 0.000 . 0 "[ ]" 1 86 LEU 0.000 0.000 . 0 "[ ]" 1 88 ILE 0.000 0.000 . 0 "[ ]" 1 90 TYR 0.000 0.000 . 0 "[ ]" 1 92 VAL 0.000 0.000 . 0 "[ ]" 1 95 LYS 0.000 0.000 . 0 "[ ]" 1 97 LYS 0.000 0.000 . 0 "[ ]" 1 99 GLU 0.000 0.000 . 0 "[ ]" 1 101 LEU 0.000 0.000 . 0 "[ ]" 1 108 SER 0.000 0.000 . 0 "[ ]" 1 110 LYS 0.000 0.000 . 0 "[ ]" 1 112 SER 0.023 0.023 1 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 23 ASP O 1 27 ASP N 3.300 2.500 3.700 2.968 2.968 2.968 . 0 0 "[ ]" 4 2 1 23 ASP O 1 27 ASP H 2.300 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 4 3 1 24 PHE O 1 28 LEU N 3.300 2.500 3.700 3.259 3.259 3.259 . 0 0 "[ ]" 4 4 1 24 PHE O 1 28 LEU H 2.300 . 2.700 2.769 2.769 2.769 0.069 1 0 "[ ]" 4 5 1 25 ARG O 1 29 GLY N 3.300 2.500 3.700 2.988 2.988 2.988 . 0 0 "[ ]" 4 6 1 25 ARG O 1 29 GLY H 2.300 . 2.700 2.508 2.508 2.508 . 0 0 "[ ]" 4 7 1 57 GLN O 1 61 VAL N 3.300 2.500 3.700 3.352 3.352 3.352 . 0 0 "[ ]" 4 8 1 57 GLN O 1 61 VAL H 2.300 . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 4 9 1 58 TYR O 1 62 LEU N 3.300 2.500 3.700 3.251 3.251 3.251 . 0 0 "[ ]" 4 10 1 58 TYR O 1 62 LEU H 2.300 . 2.700 2.372 2.372 2.372 . 0 0 "[ ]" 4 11 1 59 SER O 1 63 ALA N 3.300 2.500 3.700 3.340 3.340 3.340 . 0 0 "[ ]" 4 12 1 59 SER O 1 63 ALA H 2.300 . 2.700 2.543 2.543 2.543 . 0 0 "[ ]" 4 13 1 60 LYS O 1 64 LEU N 3.300 2.500 3.700 3.520 3.520 3.520 . 0 0 "[ ]" 4 14 1 60 LYS O 1 64 LEU H 2.300 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 4 15 1 61 VAL O 1 65 TYR N 3.300 2.500 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 4 16 1 61 VAL O 1 65 TYR H 2.300 . 2.700 2.057 2.057 2.057 . 0 0 "[ ]" 4 17 1 62 LEU O 1 66 ASN N 3.300 2.500 3.700 3.001 3.001 3.001 . 0 0 "[ ]" 4 18 1 62 LEU O 1 66 ASN H 2.300 . 2.700 2.100 2.100 2.100 . 0 0 "[ ]" 4 19 1 63 ALA O 1 67 GLN N 3.300 2.500 3.700 3.302 3.302 3.302 . 0 0 "[ ]" 4 20 1 63 ALA O 1 67 GLN H 2.300 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 4 21 1 18 ARG N 1 43 PHE O 3.300 2.500 3.700 2.919 2.919 2.919 . 0 0 "[ ]" 4 22 1 18 ARG H 1 43 PHE O 2.300 . 2.700 2.148 2.148 2.148 . 0 0 "[ ]" 4 23 1 18 ARG O 1 43 PHE N 3.300 2.500 3.700 3.220 3.220 3.220 . 0 0 "[ ]" 4 24 1 18 ARG O 1 43 PHE H 2.300 . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 4 25 1 22 ILE N 1 39 TYR O 3.300 2.500 3.700 2.996 2.996 2.996 . 0 0 "[ ]" 4 26 1 22 ILE H 1 39 TYR O 2.300 . 2.700 2.093 2.093 2.093 . 0 0 "[ ]" 4 27 1 22 ILE O 1 39 TYR N 3.300 2.500 3.700 3.219 3.219 3.219 . 0 0 "[ ]" 4 28 1 22 ILE O 1 39 TYR H 2.300 . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 4 29 1 16 CYS O 1 45 LEU N 3.300 2.500 3.700 3.677 3.677 3.677 . 0 0 "[ ]" 4 30 1 16 CYS O 1 45 LEU H 2.300 . 2.700 2.749 2.749 2.749 0.049 1 0 "[ ]" 4 31 1 77 CYS O 1 112 SER N 3.300 2.500 3.700 3.538 3.538 3.538 . 0 0 "[ ]" 4 32 1 77 CYS O 1 112 SER H 2.300 . 2.700 2.723 2.723 2.723 0.023 1 0 "[ ]" 4 33 1 79 VAL N 1 110 LYS O 3.300 2.500 3.700 3.346 3.346 3.346 . 0 0 "[ ]" 4 34 1 79 VAL H 1 110 LYS O 2.300 . 2.700 2.528 2.528 2.528 . 0 0 "[ ]" 4 35 1 79 VAL O 1 110 LYS N 3.300 2.500 3.700 2.623 2.623 2.623 . 0 0 "[ ]" 4 36 1 79 VAL O 1 110 LYS H 2.300 . 2.700 2.030 2.030 2.030 . 0 0 "[ ]" 4 37 1 81 GLN N 1 108 SER O 3.300 2.500 3.700 2.729 2.729 2.729 . 0 0 "[ ]" 4 38 1 81 GLN H 1 108 SER O 2.300 . 2.700 2.094 2.094 2.094 . 0 0 "[ ]" 4 39 1 86 LEU N 1 101 LEU O 3.300 2.500 3.700 2.676 2.676 2.676 . 0 0 "[ ]" 4 40 1 86 LEU H 1 101 LEU O 2.300 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 4 41 1 86 LEU O 1 101 LEU N 3.300 2.500 3.700 2.708 2.708 2.708 . 0 0 "[ ]" 4 42 1 86 LEU O 1 101 LEU H 2.300 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 4 43 1 88 ILE N 1 99 GLU O 3.300 2.500 3.700 3.104 3.104 3.104 . 0 0 "[ ]" 4 44 1 88 ILE H 1 99 GLU O 2.300 . 2.700 2.261 2.261 2.261 . 0 0 "[ ]" 4 45 1 88 ILE O 1 99 GLU N 3.300 2.500 3.700 3.394 3.394 3.394 . 0 0 "[ ]" 4 46 1 88 ILE O 1 99 GLU H 2.300 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 4 47 1 90 TYR N 1 97 LYS O 3.300 2.500 3.700 3.143 3.143 3.143 . 0 0 "[ ]" 4 48 1 90 TYR H 1 97 LYS O 2.300 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 4 49 1 90 TYR O 1 97 LYS N 3.300 2.500 3.700 3.053 3.053 3.053 . 0 0 "[ ]" 4 50 1 90 TYR O 1 97 LYS H 2.300 . 2.700 2.088 2.088 2.088 . 0 0 "[ ]" 4 51 1 92 VAL N 1 95 LYS O 3.300 2.500 3.700 3.026 3.026 3.026 . 0 0 "[ ]" 4 52 1 92 VAL H 1 95 LYS O 2.300 . 2.700 2.064 2.064 2.064 . 0 0 "[ ]" 4 53 1 92 VAL O 1 95 LYS N 3.300 2.500 3.700 3.255 3.255 3.255 . 0 0 "[ ]" 4 54 1 92 VAL O 1 95 LYS H 2.300 . 2.700 2.295 2.295 2.295 . 0 0 "[ ]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 54 _Distance_constraint_stats_list.Viol_count 4 _Distance_constraint_stats_list.Viol_total 0.176 _Distance_constraint_stats_list.Viol_max 0.070 _Distance_constraint_stats_list.Viol_rms 0.0132 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0440 _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 2 16 CYS 0.056 0.056 1 0 "[ ]" 2 18 ARG 0.000 0.000 . 0 "[ ]" 2 22 ILE 0.000 0.000 . 0 "[ ]" 2 23 ASP 0.000 0.000 . 0 "[ ]" 2 24 PHE 0.070 0.070 1 0 "[ ]" 2 25 ARG 0.000 0.000 . 0 "[ ]" 2 27 ASP 0.000 0.000 . 0 "[ ]" 2 28 LEU 0.070 0.070 1 0 "[ ]" 2 29 GLY 0.000 0.000 . 0 "[ ]" 2 39 TYR 0.000 0.000 . 0 "[ ]" 2 43 PHE 0.000 0.000 . 0 "[ ]" 2 45 LEU 0.056 0.056 1 0 "[ ]" 2 57 GLN 0.000 0.000 . 0 "[ ]" 2 58 TYR 0.000 0.000 . 0 "[ ]" 2 59 SER 0.000 0.000 . 0 "[ ]" 2 60 LYS 0.010 0.010 1 0 "[ ]" 2 61 VAL 0.000 0.000 . 0 "[ ]" 2 62 LEU 0.000 0.000 . 0 "[ ]" 2 63 ALA 0.000 0.000 . 0 "[ ]" 2 64 LEU 0.010 0.010 1 0 "[ ]" 2 65 TYR 0.000 0.000 . 0 "[ ]" 2 66 ASN 0.000 0.000 . 0 "[ ]" 2 67 GLN 0.000 0.000 . 0 "[ ]" 2 77 CYS 0.040 0.040 1 0 "[ ]" 2 79 VAL 0.000 0.000 . 0 "[ ]" 2 81 GLN 0.000 0.000 . 0 "[ ]" 2 86 LEU 0.000 0.000 . 0 "[ ]" 2 88 ILE 0.000 0.000 . 0 "[ ]" 2 90 TYR 0.000 0.000 . 0 "[ ]" 2 92 VAL 0.000 0.000 . 0 "[ ]" 2 95 LYS 0.000 0.000 . 0 "[ ]" 2 97 LYS 0.000 0.000 . 0 "[ ]" 2 99 GLU 0.000 0.000 . 0 "[ ]" 2 101 LEU 0.000 0.000 . 0 "[ ]" 2 108 SER 0.000 0.000 . 0 "[ ]" 2 110 LYS 0.000 0.000 . 0 "[ ]" 2 112 SER 0.040 0.040 1 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 2 23 ASP O 2 27 ASP N 3.300 2.500 3.700 2.968 2.968 2.968 . 0 0 "[ ]" 5 2 2 23 ASP O 2 27 ASP H 2.300 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 5 3 2 24 PHE O 2 28 LEU N 3.300 2.500 3.700 3.259 3.259 3.259 . 0 0 "[ ]" 5 4 2 24 PHE O 2 28 LEU H 2.300 . 2.700 2.770 2.770 2.770 0.070 1 0 "[ ]" 5 5 2 25 ARG O 2 29 GLY N 3.300 2.500 3.700 2.987 2.987 2.987 . 0 0 "[ ]" 5 6 2 25 ARG O 2 29 GLY H 2.300 . 2.700 2.507 2.507 2.507 . 0 0 "[ ]" 5 7 2 57 GLN O 2 61 VAL N 3.300 2.500 3.700 3.351 3.351 3.351 . 0 0 "[ ]" 5 8 2 57 GLN O 2 61 VAL H 2.300 . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 5 9 2 58 TYR O 2 62 LEU N 3.300 2.500 3.700 3.248 3.248 3.248 . 0 0 "[ ]" 5 10 2 58 TYR O 2 62 LEU H 2.300 . 2.700 2.368 2.368 2.368 . 0 0 "[ ]" 5 11 2 59 SER O 2 63 ALA N 3.300 2.500 3.700 3.337 3.337 3.337 . 0 0 "[ ]" 5 12 2 59 SER O 2 63 ALA H 2.300 . 2.700 2.539 2.539 2.539 . 0 0 "[ ]" 5 13 2 60 LYS O 2 64 LEU N 3.300 2.500 3.700 3.518 3.518 3.518 . 0 0 "[ ]" 5 14 2 60 LYS O 2 64 LEU H 2.300 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 5 15 2 61 VAL O 2 65 TYR N 3.300 2.500 3.700 2.945 2.945 2.945 . 0 0 "[ ]" 5 16 2 61 VAL O 2 65 TYR H 2.300 . 2.700 2.057 2.057 2.057 . 0 0 "[ ]" 5 17 2 62 LEU O 2 66 ASN N 3.300 2.500 3.700 3.000 3.000 3.000 . 0 0 "[ ]" 5 18 2 62 LEU O 2 66 ASN H 2.300 . 2.700 2.101 2.101 2.101 . 0 0 "[ ]" 5 19 2 63 ALA O 2 67 GLN N 3.300 2.500 3.700 3.302 3.302 3.302 . 0 0 "[ ]" 5 20 2 63 ALA O 2 67 GLN H 2.300 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 5 21 2 18 ARG N 2 43 PHE O 3.300 2.500 3.700 2.887 2.887 2.887 . 0 0 "[ ]" 5 22 2 18 ARG H 2 43 PHE O 2.300 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 5 23 2 18 ARG O 2 43 PHE N 3.300 2.500 3.700 3.220 3.220 3.220 . 0 0 "[ ]" 5 24 2 18 ARG O 2 43 PHE H 2.300 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 5 25 2 22 ILE N 2 39 TYR O 3.300 2.500 3.700 2.996 2.996 2.996 . 0 0 "[ ]" 5 26 2 22 ILE H 2 39 TYR O 2.300 . 2.700 2.094 2.094 2.094 . 0 0 "[ ]" 5 27 2 22 ILE O 2 39 TYR N 3.300 2.500 3.700 3.219 3.219 3.219 . 0 0 "[ ]" 5 28 2 22 ILE O 2 39 TYR H 2.300 . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 5 29 2 16 CYS O 2 45 LEU N 3.300 2.500 3.700 3.679 3.679 3.679 . 0 0 "[ ]" 5 30 2 16 CYS O 2 45 LEU H 2.300 . 2.700 2.756 2.756 2.756 0.056 1 0 "[ ]" 5 31 2 77 CYS O 2 112 SER N 3.300 2.500 3.700 3.503 3.503 3.503 . 0 0 "[ ]" 5 32 2 77 CYS O 2 112 SER H 2.300 . 2.700 2.740 2.740 2.740 0.040 1 0 "[ ]" 5 33 2 79 VAL N 2 110 LYS O 3.300 2.500 3.700 3.342 3.342 3.342 . 0 0 "[ ]" 5 34 2 79 VAL H 2 110 LYS O 2.300 . 2.700 2.523 2.523 2.523 . 0 0 "[ ]" 5 35 2 79 VAL O 2 110 LYS N 3.300 2.500 3.700 2.502 2.502 2.502 . 0 0 "[ ]" 5 36 2 79 VAL O 2 110 LYS H 2.300 . 2.700 2.058 2.058 2.058 . 0 0 "[ ]" 5 37 2 81 GLN N 2 108 SER O 3.300 2.500 3.700 2.737 2.737 2.737 . 0 0 "[ ]" 5 38 2 81 GLN H 2 108 SER O 2.300 . 2.700 2.104 2.104 2.104 . 0 0 "[ ]" 5 39 2 86 LEU N 2 101 LEU O 3.300 2.500 3.700 2.677 2.677 2.677 . 0 0 "[ ]" 5 40 2 86 LEU H 2 101 LEU O 2.300 . 2.700 2.101 2.101 2.101 . 0 0 "[ ]" 5 41 2 86 LEU O 2 101 LEU N 3.300 2.500 3.700 2.707 2.707 2.707 . 0 0 "[ ]" 5 42 2 86 LEU O 2 101 LEU H 2.300 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 5 43 2 88 ILE N 2 99 GLU O 3.300 2.500 3.700 3.103 3.103 3.103 . 0 0 "[ ]" 5 44 2 88 ILE H 2 99 GLU O 2.300 . 2.700 2.260 2.260 2.260 . 0 0 "[ ]" 5 45 2 88 ILE O 2 99 GLU N 3.300 2.500 3.700 3.394 3.394 3.394 . 0 0 "[ ]" 5 46 2 88 ILE O 2 99 GLU H 2.300 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 5 47 2 90 TYR N 2 97 LYS O 3.300 2.500 3.700 3.140 3.140 3.140 . 0 0 "[ ]" 5 48 2 90 TYR H 2 97 LYS O 2.300 . 2.700 2.219 2.219 2.219 . 0 0 "[ ]" 5 49 2 90 TYR O 2 97 LYS N 3.300 2.500 3.700 3.054 3.054 3.054 . 0 0 "[ ]" 5 50 2 90 TYR O 2 97 LYS H 2.300 . 2.700 2.089 2.089 2.089 . 0 0 "[ ]" 5 51 2 92 VAL N 2 95 LYS O 3.300 2.500 3.700 3.026 3.026 3.026 . 0 0 "[ ]" 5 52 2 92 VAL H 2 95 LYS O 2.300 . 2.700 2.064 2.064 2.064 . 0 0 "[ ]" 5 53 2 92 VAL O 2 95 LYS N 3.300 2.500 3.700 3.255 3.255 3.255 . 0 0 "[ ]" 5 54 2 92 VAL O 2 95 LYS H 2.300 . 2.700 2.296 2.296 2.296 . 0 0 "[ ]" 5 stop_ save_
Contact the webmaster for help, if required. Thursday, June 27, 2024 3:00:35 PM GMT (wattos1)