NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
442527 | 2kcu | 16097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcu 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 1095 _Distance_constraint_stats_list.Viol_count 555 _Distance_constraint_stats_list.Viol_total 777.504 _Distance_constraint_stats_list.Viol_max 0.310 _Distance_constraint_stats_list.Viol_rms 0.0143 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0700 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ASP 0.292 0.118 1 0 "[ . 1 . 2]" 1 3 PHE 0.308 0.118 1 0 "[ . 1 . 2]" 1 4 GLU 0.126 0.088 19 0 "[ . 1 . 2]" 1 5 CYS 0.110 0.088 19 0 "[ . 1 . 2]" 1 6 GLN 1.721 0.171 10 0 "[ . 1 . 2]" 1 7 PHE 1.656 0.171 10 0 "[ . 1 . 2]" 1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 GLU 0.226 0.044 11 0 "[ . 1 . 2]" 1 11 LEU 1.373 0.272 19 0 "[ . 1 . 2]" 1 12 LYS 0.544 0.096 18 0 "[ . 1 . 2]" 1 13 GLU 0.146 0.056 15 0 "[ . 1 . 2]" 1 14 LEU 0.146 0.056 15 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 PRO 0.015 0.015 11 0 "[ . 1 . 2]" 1 19 ALA 0.015 0.015 11 0 "[ . 1 . 2]" 1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 ARG 0.029 0.019 2 0 "[ . 1 . 2]" 1 24 THR 0.469 0.128 20 0 "[ . 1 . 2]" 1 25 GLN 0.864 0.151 6 0 "[ . 1 . 2]" 1 26 THR 0.517 0.151 6 0 "[ . 1 . 2]" 1 27 ALA 0.198 0.100 18 0 "[ . 1 . 2]" 1 28 MET 0.994 0.263 11 0 "[ . 1 . 2]" 1 29 SER 0.889 0.263 11 0 "[ . 1 . 2]" 1 30 GLU 0.436 0.100 18 0 "[ . 1 . 2]" 1 31 LEU 0.512 0.081 15 0 "[ . 1 . 2]" 1 32 GLY 0.006 0.006 4 0 "[ . 1 . 2]" 1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 LEU 0.036 0.020 10 0 "[ . 1 . 2]" 1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 GLN 0.260 0.103 9 0 "[ . 1 . 2]" 1 45 LEU 0.250 0.072 8 0 "[ . 1 . 2]" 1 46 LEU 0.913 0.174 1 0 "[ . 1 . 2]" 1 47 ALA 1.159 0.174 1 0 "[ . 1 . 2]" 1 48 GLY 0.063 0.063 17 0 "[ . 1 . 2]" 1 49 GLN 0.173 0.063 17 0 "[ . 1 . 2]" 1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 LYS 2.150 0.129 20 0 "[ . 1 . 2]" 1 52 SER 0.747 0.082 3 0 "[ . 1 . 2]" 1 53 PRO 0.443 0.155 7 0 "[ . 1 . 2]" 1 54 SER 0.383 0.155 7 0 "[ . 1 . 2]" 1 55 GLY 0.072 0.033 8 0 "[ . 1 . 2]" 1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 MET 0.097 0.060 11 0 "[ . 1 . 2]" 1 67 GLY 0.179 0.104 11 0 "[ . 1 . 2]" 1 68 THR 0.647 0.119 12 0 "[ . 1 . 2]" 1 69 PHE 1.240 0.175 17 0 "[ . 1 . 2]" 1 70 GLU 0.885 0.175 17 0 "[ . 1 . 2]" 1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 GLU 0.033 0.019 10 0 "[ . 1 . 2]" 1 79 GLY 0.033 0.019 10 0 "[ . 1 . 2]" 1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 VAL 1.658 0.150 14 0 "[ . 1 . 2]" 1 82 GLU 1.861 0.150 14 0 "[ . 1 . 2]" 1 83 GLY 0.203 0.076 19 0 "[ . 1 . 2]" 1 84 SER 0.913 0.112 16 0 "[ . 1 . 2]" 1 85 GLY 0.080 0.080 13 0 "[ . 1 . 2]" 1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 VAL 0.583 0.112 16 0 "[ . 1 . 2]" 1 88 VAL 0.030 0.030 17 0 "[ . 1 . 2]" 1 89 THR 2.193 0.262 16 0 "[ . 1 . 2]" 1 90 GLY 2.163 0.262 16 0 "[ . 1 . 2]" 1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 PRO 0.022 0.011 18 0 "[ . 1 . 2]" 1 94 SER 0.022 0.011 18 0 "[ . 1 . 2]" 1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 LYS 1.299 0.310 7 0 "[ . 1 . 2]" 1 97 ALA 1.159 0.157 20 0 "[ . 1 . 2]" 1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 SER 0.086 0.037 8 0 "[ . 1 . 2]" 1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 LEU 0.271 0.054 16 0 "[ . 1 . 2]" 1 102 TYR 0.699 0.305 15 0 "[ . 1 . 2]" 1 103 ILE 0.404 0.124 18 0 "[ . 1 . 2]" 1 104 GLY 0.083 0.083 2 0 "[ . 1 . 2]" 1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 GLU 0.160 0.109 10 0 "[ . 1 . 2]" 1 109 ILE 0.160 0.109 10 0 "[ . 1 . 2]" 1 110 GLU 0.013 0.009 4 0 "[ . 1 . 2]" 1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 VAL 0.211 0.211 2 0 "[ . 1 . 2]" 1 113 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 114 ASP 0.041 0.037 10 0 "[ . 1 . 2]" 1 115 ALA 0.041 0.037 10 0 "[ . 1 . 2]" 1 116 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 LYS 0.480 0.152 6 0 "[ . 1 . 2]" 1 119 TRP 0.837 0.170 1 0 "[ . 1 . 2]" 1 120 VAL 3.247 0.238 1 0 "[ . 1 . 2]" 1 121 ASP 2.755 0.238 1 0 "[ . 1 . 2]" 1 122 ASP 0.089 0.089 7 0 "[ . 1 . 2]" 1 123 ASN 1.377 0.170 1 0 "[ . 1 . 2]" 1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 PHE 3.094 0.219 13 0 "[ . 1 . 2]" 1 126 ASP 0.671 0.135 12 0 "[ . 1 . 2]" 1 127 LEU 0.905 0.126 5 0 "[ . 1 . 2]" 1 128 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 GLY 1.193 0.136 17 0 "[ . 1 . 2]" 1 130 GLU 0.306 0.136 17 0 "[ . 1 . 2]" 1 131 ALA 0.989 0.161 20 0 "[ . 1 . 2]" 1 132 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 ILE 0.307 0.082 9 0 "[ . 1 . 2]" 1 135 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 136 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 138 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 PRO 0.159 0.065 11 0 "[ . 1 . 2]" 1 140 ALA 1.946 0.293 9 0 "[ . 1 . 2]" 1 141 GLU 1.982 0.293 9 0 "[ . 1 . 2]" 1 142 THR 1.134 0.178 13 0 "[ . 1 . 2]" 1 143 ALA 0.227 0.068 8 0 "[ . 1 . 2]" 1 144 PRO 2.067 0.226 15 0 "[ . 1 . 2]" 1 145 ASP 2.300 0.226 15 0 "[ . 1 . 2]" 1 146 GLN 0.249 0.117 17 0 "[ . 1 . 2]" 1 147 LEU 0.098 0.083 2 0 "[ . 1 . 2]" 1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 149 THR 1.058 0.305 15 0 "[ . 1 . 2]" 1 150 ARG 0.074 0.027 2 0 "[ . 1 . 2]" 1 151 VAL 0.022 0.022 15 0 "[ . 1 . 2]" 1 152 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 153 LEU 0.989 0.161 20 0 "[ . 1 . 2]" 1 154 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 155 LEU 0.773 0.167 5 0 "[ . 1 . 2]" 1 156 HIS 0.767 0.193 3 0 "[ . 1 . 2]" 1 157 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 158 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 159 LEU 0.450 0.181 10 0 "[ . 1 . 2]" 1 160 GLU 1.784 0.181 10 0 "[ . 1 . 2]" 1 161 HIS 0.105 0.057 17 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP HB3 1 3 PHE H 5.500 . 5.500 2.987 1.990 4.369 . 0 0 "[ . 1 . 2]" 1 2 1 3 PHE HA 1 4 GLU H 3.520 . 3.520 2.597 2.087 3.531 0.011 4 0 "[ . 1 . 2]" 1 3 1 4 GLU HA 1 5 CYS H 3.450 . 3.450 2.536 2.158 3.538 0.088 19 0 "[ . 1 . 2]" 1 4 1 6 GLN HA 1 7 PHE H 3.110 . 3.110 2.379 2.071 3.193 0.083 14 0 "[ . 1 . 2]" 1 5 1 6 GLN HB2 1 7 PHE H 4.480 . 4.480 4.021 2.825 4.489 0.009 15 0 "[ . 1 . 2]" 1 6 1 6 GLN HB3 1 7 PHE H 4.480 . 4.480 3.671 1.736 4.574 0.094 12 0 "[ . 1 . 2]" 1 7 1 7 PHE HA 1 8 VAL H 3.020 . 3.020 2.266 2.103 2.730 . 0 0 "[ . 1 . 2]" 1 8 1 8 VAL H 1 9 CYS H 5.500 . 5.500 4.373 4.099 4.576 . 0 0 "[ . 1 . 2]" 1 9 1 8 VAL HA 1 9 CYS H 3.210 . 3.210 2.140 2.107 2.175 . 0 0 "[ . 1 . 2]" 1 10 1 8 VAL HB 1 9 CYS H 5.130 . 5.130 4.245 4.117 4.387 . 0 0 "[ . 1 . 2]" 1 11 1 9 CYS HA 1 10 GLU H 3.170 . 3.170 2.207 2.111 2.373 . 0 0 "[ . 1 . 2]" 1 12 1 9 CYS HB2 1 10 GLU H 4.480 . 4.480 3.781 2.557 4.397 . 0 0 "[ . 1 . 2]" 1 13 1 9 CYS HB3 1 10 GLU H 4.480 . 4.480 3.636 2.637 4.225 . 0 0 "[ . 1 . 2]" 1 14 1 10 GLU H 1 11 LEU H 4.720 . 4.720 4.394 4.284 4.507 . 0 0 "[ . 1 . 2]" 1 15 1 10 GLU HA 1 11 LEU H 3.240 . 3.240 2.341 2.184 2.590 . 0 0 "[ . 1 . 2]" 1 16 1 10 GLU HB2 1 11 LEU H 4.070 . 4.070 3.439 2.062 4.114 0.044 11 0 "[ . 1 . 2]" 1 17 1 10 GLU HB3 1 11 LEU H 4.070 . 4.070 3.336 2.249 3.977 . 0 0 "[ . 1 . 2]" 1 18 1 11 LEU HA 1 12 LYS H 2.860 . 2.860 2.152 2.102 2.188 . 0 0 "[ . 1 . 2]" 1 19 1 11 LEU HB2 1 12 LYS H 4.350 . 4.350 4.192 2.973 4.446 0.096 18 0 "[ . 1 . 2]" 1 20 1 11 LEU HB3 1 12 LYS H 5.000 . 5.000 4.242 3.818 4.438 . 0 0 "[ . 1 . 2]" 1 21 1 12 LYS H 1 13 GLU H 5.410 . 5.410 4.423 4.269 4.552 . 0 0 "[ . 1 . 2]" 1 22 1 12 LYS HA 1 13 GLU H 3.210 . 3.210 2.301 2.101 2.550 . 0 0 "[ . 1 . 2]" 1 23 1 13 GLU HB2 1 14 LEU H 4.480 . 4.480 3.514 2.649 4.340 . 0 0 "[ . 1 . 2]" 1 24 1 13 GLU HB3 1 14 LEU H 4.480 . 4.480 3.785 2.915 4.296 . 0 0 "[ . 1 . 2]" 1 25 1 14 LEU HA 1 15 ALA H 3.050 . 3.050 2.192 2.120 2.420 . 0 0 "[ . 1 . 2]" 1 26 1 14 LEU HB2 1 15 ALA H 4.660 . 4.660 4.180 3.697 4.572 . 0 0 "[ . 1 . 2]" 1 27 1 14 LEU HB3 1 15 ALA H 4.660 . 4.660 3.293 2.337 4.050 . 0 0 "[ . 1 . 2]" 1 28 1 16 PRO HA 1 17 VAL H 3.140 . 3.140 2.184 2.147 2.330 . 0 0 "[ . 1 . 2]" 1 29 1 18 PRO HA 1 19 ALA H 2.930 . 2.930 2.158 2.126 2.202 . 0 0 "[ . 1 . 2]" 1 30 1 18 PRO HB3 1 19 ALA H 4.290 . 4.290 3.889 3.435 4.305 0.015 11 0 "[ . 1 . 2]" 1 31 1 19 ALA HA 1 20 LEU H 3.020 . 3.020 2.337 2.162 2.544 . 0 0 "[ . 1 . 2]" 1 32 1 20 LEU HA 1 21 LEU H 3.110 . 3.110 2.185 2.123 2.259 . 0 0 "[ . 1 . 2]" 1 33 1 20 LEU HB2 1 21 LEU H 4.600 . 4.600 4.124 2.861 4.514 . 0 0 "[ . 1 . 2]" 1 34 1 20 LEU HB3 1 21 LEU H 4.600 . 4.600 3.637 3.054 4.122 . 0 0 "[ . 1 . 2]" 1 35 1 22 ILE HA 1 23 ARG H 2.990 . 2.990 2.225 2.137 2.537 . 0 0 "[ . 1 . 2]" 1 36 1 23 ARG H 1 24 THR H 4.660 . 4.660 4.328 4.034 4.465 . 0 0 "[ . 1 . 2]" 1 37 1 23 ARG HA 1 24 THR H 3.020 . 3.020 2.115 2.025 2.211 . 0 0 "[ . 1 . 2]" 1 38 1 23 ARG HB2 1 24 THR H 5.380 . 5.380 3.812 3.351 4.451 . 0 0 "[ . 1 . 2]" 1 39 1 23 ARG HB3 1 24 THR H 5.380 . 5.380 4.093 3.317 4.431 . 0 0 "[ . 1 . 2]" 1 40 1 24 THR HA 1 25 GLN H 2.900 . 2.900 2.261 2.130 2.463 . 0 0 "[ . 1 . 2]" 1 41 1 24 THR HB 1 25 GLN H 4.290 . 4.290 4.001 2.504 4.418 0.128 20 0 "[ . 1 . 2]" 1 42 1 25 GLN HA 1 26 THR H 3.080 . 3.080 2.186 2.049 2.319 . 0 0 "[ . 1 . 2]" 1 43 1 26 THR HA 1 27 ALA H 3.420 . 3.420 2.361 2.150 2.815 . 0 0 "[ . 1 . 2]" 1 44 1 26 THR HB 1 27 ALA H 4.630 . 4.630 3.708 2.104 4.399 . 0 0 "[ . 1 . 2]" 1 45 1 27 ALA HA 1 28 MET H 3.480 . 3.480 2.404 2.099 2.709 . 0 0 "[ . 1 . 2]" 1 46 1 28 MET H 1 29 SER H 4.260 . 4.260 3.372 2.532 4.523 0.263 11 0 "[ . 1 . 2]" 1 47 1 30 GLU HB2 1 31 LEU H 4.660 . 4.660 4.183 2.960 4.621 . 0 0 "[ . 1 . 2]" 1 48 1 30 GLU HB3 1 31 LEU H 4.660 . 4.660 3.728 2.650 4.361 . 0 0 "[ . 1 . 2]" 1 49 1 31 LEU HB2 1 32 GLY H 4.380 . 4.380 3.540 2.441 4.102 . 0 0 "[ . 1 . 2]" 1 50 1 31 LEU HB3 1 32 GLY H 4.380 . 4.380 3.007 2.176 4.386 0.006 4 0 "[ . 1 . 2]" 1 51 1 34 LEU H 1 35 PHE H 4.040 . 4.040 2.674 2.485 2.888 . 0 0 "[ . 1 . 2]" 1 52 1 34 LEU HB2 1 35 PHE H 4.140 . 4.140 3.426 2.489 4.012 . 0 0 "[ . 1 . 2]" 1 53 1 35 PHE H 1 36 GLU H 3.730 . 3.730 2.642 2.325 2.770 . 0 0 "[ . 1 . 2]" 1 54 1 35 PHE HB2 1 36 GLU H 4.720 . 4.720 2.815 2.353 4.049 . 0 0 "[ . 1 . 2]" 1 55 1 35 PHE HB3 1 36 GLU H 4.720 . 4.720 3.479 2.601 4.297 . 0 0 "[ . 1 . 2]" 1 56 1 37 ALA H 1 38 GLY H 3.450 . 3.450 2.500 2.276 2.753 . 0 0 "[ . 1 . 2]" 1 57 1 38 GLY H 1 39 TYR H 3.950 . 3.950 2.797 2.611 2.974 . 0 0 "[ . 1 . 2]" 1 58 1 39 TYR HB2 1 40 HIS H 5.100 . 5.100 3.900 2.767 4.312 . 0 0 "[ . 1 . 2]" 1 59 1 39 TYR HB3 1 40 HIS H 5.100 . 5.100 3.584 2.554 4.277 . 0 0 "[ . 1 . 2]" 1 60 1 46 LEU H 1 47 ALA H 3.420 . 3.420 2.517 2.208 2.792 . 0 0 "[ . 1 . 2]" 1 61 1 46 LEU HB2 1 47 ALA H 3.300 . 3.300 2.850 2.298 3.474 0.174 1 0 "[ . 1 . 2]" 1 62 1 46 LEU HB3 1 47 ALA H 4.040 . 4.040 2.970 1.992 3.754 . 0 0 "[ . 1 . 2]" 1 63 1 47 ALA H 1 48 GLY H 3.270 . 3.270 2.573 2.314 2.782 . 0 0 "[ . 1 . 2]" 1 64 1 48 GLY H 1 49 GLN H 3.270 . 3.270 2.611 2.052 3.333 0.063 17 0 "[ . 1 . 2]" 1 65 1 51 LYS HA 1 52 SER H 2.930 . 2.930 2.506 2.320 2.662 . 0 0 "[ . 1 . 2]" 1 66 1 51 LYS HB2 1 52 SER H 3.640 . 3.640 3.006 1.956 3.711 0.071 9 0 "[ . 1 . 2]" 1 67 1 51 LYS HB3 1 52 SER H 3.640 . 3.640 2.714 1.971 3.687 0.047 1 0 "[ . 1 . 2]" 1 68 1 53 PRO HA 1 54 SER H 3.210 . 3.210 2.243 2.121 2.607 . 0 0 "[ . 1 . 2]" 1 69 1 53 PRO HB2 1 54 SER H 4.070 . 4.070 3.399 2.332 3.936 . 0 0 "[ . 1 . 2]" 1 70 1 54 SER H 1 55 GLY H 3.270 . 3.270 2.500 2.024 3.276 0.006 7 0 "[ . 1 . 2]" 1 71 1 57 PRO HA 1 58 PHE H 3.300 . 3.300 2.235 2.138 2.366 . 0 0 "[ . 1 . 2]" 1 72 1 58 PHE HB2 1 59 ALA H 4.850 . 4.850 3.419 2.058 4.200 . 0 0 "[ . 1 . 2]" 1 73 1 59 ALA HA 1 60 ARG H 3.390 . 3.390 2.151 2.097 2.247 . 0 0 "[ . 1 . 2]" 1 74 1 60 ARG HA 1 61 TYR H 3.420 . 3.420 2.149 2.032 2.235 . 0 0 "[ . 1 . 2]" 1 75 1 61 TYR HA 1 62 PHE H 3.420 . 3.420 2.132 2.068 2.191 . 0 0 "[ . 1 . 2]" 1 76 1 68 THR HB 1 69 PHE H 4.110 . 4.110 3.912 2.701 4.147 0.037 14 0 "[ . 1 . 2]" 1 77 1 69 PHE H 1 70 GLU H 5.250 . 5.250 4.358 4.185 4.519 . 0 0 "[ . 1 . 2]" 1 78 1 69 PHE HA 1 70 GLU H 3.520 . 3.520 2.206 2.085 2.642 . 0 0 "[ . 1 . 2]" 1 79 1 69 PHE HB2 1 70 GLU H 4.320 . 4.320 3.761 2.053 4.495 0.175 17 0 "[ . 1 . 2]" 1 80 1 70 GLU H 1 71 VAL H 5.470 . 5.470 4.442 4.294 4.572 . 0 0 "[ . 1 . 2]" 1 81 1 70 GLU HA 1 71 VAL H 3.170 . 3.170 2.185 2.078 2.349 . 0 0 "[ . 1 . 2]" 1 82 1 71 VAL H 1 72 GLU H 5.190 . 5.190 4.363 4.178 4.526 . 0 0 "[ . 1 . 2]" 1 83 1 71 VAL HA 1 72 GLU H 3.170 . 3.170 2.179 2.076 2.385 . 0 0 "[ . 1 . 2]" 1 84 1 71 VAL HB 1 72 GLU H 3.520 . 3.520 3.012 2.325 3.432 . 0 0 "[ . 1 . 2]" 1 85 1 76 PRO HA 1 77 VAL H 3.020 . 3.020 2.222 2.134 2.396 . 0 0 "[ . 1 . 2]" 1 86 1 76 PRO HB2 1 77 VAL H 4.630 . 4.630 3.334 2.683 3.814 . 0 0 "[ . 1 . 2]" 1 87 1 76 PRO HB3 1 77 VAL H 4.630 . 4.630 3.595 3.086 4.003 . 0 0 "[ . 1 . 2]" 1 88 1 77 VAL HA 1 78 GLU H 3.240 . 3.240 2.478 2.242 2.738 . 0 0 "[ . 1 . 2]" 1 89 1 78 GLU H 1 79 GLY H 3.760 . 3.760 2.568 2.048 3.020 . 0 0 "[ . 1 . 2]" 1 90 1 81 VAL HA 1 82 GLU H 2.800 . 2.800 2.308 2.196 2.414 . 0 0 "[ . 1 . 2]" 1 91 1 82 GLU H 1 83 GLY H 4.510 . 4.510 4.415 4.293 4.570 0.060 6 0 "[ . 1 . 2]" 1 92 1 82 GLU HA 1 83 GLY H 2.860 . 2.860 2.372 2.093 2.804 . 0 0 "[ . 1 . 2]" 1 93 1 83 GLY H 1 84 SER H 4.820 . 4.820 4.499 4.255 4.630 . 0 0 "[ . 1 . 2]" 1 94 1 84 SER HA 1 85 GLY H 3.480 . 3.480 2.570 2.145 3.560 0.080 13 0 "[ . 1 . 2]" 1 95 1 87 VAL HA 1 88 VAL H 3.520 . 3.520 2.192 2.127 2.260 . 0 0 "[ . 1 . 2]" 1 96 1 87 VAL HB 1 88 VAL H 5.380 . 5.380 4.204 3.901 4.367 . 0 0 "[ . 1 . 2]" 1 97 1 88 VAL HB 1 89 THR H 3.050 . 3.050 2.535 1.799 3.080 0.030 17 0 "[ . 1 . 2]" 1 98 1 89 THR HA 1 90 GLY H 3.020 . 3.020 2.290 2.207 2.487 . 0 0 "[ . 1 . 2]" 1 99 1 89 THR HB 1 90 GLY H 3.420 . 3.420 3.418 2.882 3.682 0.262 16 0 "[ . 1 . 2]" 1 100 1 90 GLY HA2 1 91 LEU H 3.270 . 3.270 2.700 2.196 3.038 . 0 0 "[ . 1 . 2]" 1 101 1 90 GLY HA3 1 91 LEU H 3.270 . 3.270 2.471 2.192 3.000 . 0 0 "[ . 1 . 2]" 1 102 1 91 LEU HA 1 92 THR H 2.960 . 2.960 2.285 2.153 2.514 . 0 0 "[ . 1 . 2]" 1 103 1 91 LEU HB3 1 92 THR H 5.500 . 5.500 3.367 2.717 4.185 . 0 0 "[ . 1 . 2]" 1 104 1 93 PRO HA 1 94 SER H 2.830 . 2.830 2.233 2.137 2.486 . 0 0 "[ . 1 . 2]" 1 105 1 93 PRO HB2 1 94 SER H 3.980 . 3.980 3.309 2.383 3.991 0.011 18 0 "[ . 1 . 2]" 1 106 1 93 PRO HB3 1 94 SER H 3.980 . 3.980 3.607 3.080 3.990 0.010 9 0 "[ . 1 . 2]" 1 107 1 94 SER HA 1 95 GLY H 3.420 . 3.420 2.241 2.138 2.714 . 0 0 "[ . 1 . 2]" 1 108 1 94 SER HB2 1 95 GLY H 4.260 . 4.260 3.585 2.447 4.195 . 0 0 "[ . 1 . 2]" 1 109 1 94 SER HB3 1 95 GLY H 4.260 . 4.260 3.634 2.875 4.075 . 0 0 "[ . 1 . 2]" 1 110 1 95 GLY HA2 1 96 LYS H 3.450 . 3.450 2.754 2.320 3.264 . 0 0 "[ . 1 . 2]" 1 111 1 96 LYS H 1 97 ALA H 4.630 . 4.630 4.450 4.321 4.601 . 0 0 "[ . 1 . 2]" 1 112 1 96 LYS HA 1 97 ALA H 3.240 . 3.240 2.224 2.111 2.366 . 0 0 "[ . 1 . 2]" 1 113 1 96 LYS HB2 1 97 ALA H 4.720 . 4.720 3.750 2.536 4.579 . 0 0 "[ . 1 . 2]" 1 114 1 96 LYS HB3 1 97 ALA H 4.720 . 4.720 3.315 2.462 4.005 . 0 0 "[ . 1 . 2]" 1 115 1 97 ALA HA 1 98 ALA H 3.330 . 3.330 2.333 2.207 2.531 . 0 0 "[ . 1 . 2]" 1 116 1 98 ALA HA 1 99 SER H 3.240 . 3.240 2.144 2.093 2.200 . 0 0 "[ . 1 . 2]" 1 117 1 99 SER HA 1 100 SER H 3.110 . 3.110 2.206 2.125 2.366 . 0 0 "[ . 1 . 2]" 1 118 1 100 SER HA 1 101 LEU H 3.450 . 3.450 2.298 2.126 2.570 . 0 0 "[ . 1 . 2]" 1 119 1 101 LEU HA 1 102 TYR H 3.480 . 3.480 2.138 2.036 2.253 . 0 0 "[ . 1 . 2]" 1 120 1 102 TYR HA 1 103 ILE H 3.210 . 3.210 2.171 2.128 2.232 . 0 0 "[ . 1 . 2]" 1 121 1 103 ILE HA 1 104 GLY H 3.390 . 3.390 2.157 2.083 2.255 . 0 0 "[ . 1 . 2]" 1 122 1 110 GLU HB2 1 111 ALA H 5.280 . 5.280 3.352 2.575 4.177 . 0 0 "[ . 1 . 2]" 1 123 1 110 GLU HB3 1 111 ALA H 5.280 . 5.280 3.493 2.500 4.318 . 0 0 "[ . 1 . 2]" 1 124 1 111 ALA H 1 112 VAL H 3.640 . 3.640 2.745 2.521 2.863 . 0 0 "[ . 1 . 2]" 1 125 1 113 TYR H 1 114 ASP H 3.790 . 3.790 2.667 2.445 2.825 . 0 0 "[ . 1 . 2]" 1 126 1 113 TYR HB2 1 114 ASP H 4.660 . 4.660 3.250 2.435 4.023 . 0 0 "[ . 1 . 2]" 1 127 1 113 TYR HB3 1 114 ASP H 4.660 . 4.660 3.050 2.419 3.820 . 0 0 "[ . 1 . 2]" 1 128 1 114 ASP H 1 115 ALA H 3.860 . 3.860 2.704 2.526 2.871 . 0 0 "[ . 1 . 2]" 1 129 1 114 ASP HB2 1 115 ALA H 4.040 . 4.040 3.692 2.906 4.077 0.037 10 0 "[ . 1 . 2]" 1 130 1 114 ASP HB3 1 115 ALA H 4.040 . 4.040 2.810 2.320 3.901 . 0 0 "[ . 1 . 2]" 1 131 1 117 MET H 1 118 LYS H 3.830 . 3.830 2.656 2.407 2.828 . 0 0 "[ . 1 . 2]" 1 132 1 119 TRP H 1 120 VAL H 3.860 . 3.860 2.685 2.534 2.906 . 0 0 "[ . 1 . 2]" 1 133 1 120 VAL HB 1 121 ASP H 3.730 . 3.730 3.694 2.454 3.968 0.238 1 0 "[ . 1 . 2]" 1 134 1 121 ASP H 1 122 ASP H 3.670 . 3.670 2.670 2.496 2.937 . 0 0 "[ . 1 . 2]" 1 135 1 121 ASP HB2 1 122 ASP H 4.350 . 4.350 3.920 3.738 4.028 . 0 0 "[ . 1 . 2]" 1 136 1 121 ASP HB3 1 122 ASP H 4.350 . 4.350 2.641 2.340 2.860 . 0 0 "[ . 1 . 2]" 1 137 1 122 ASP H 1 123 ASN H 3.480 . 3.480 2.598 2.320 2.807 . 0 0 "[ . 1 . 2]" 1 138 1 122 ASP HB2 1 123 ASN H 4.760 . 4.760 3.955 3.785 4.125 . 0 0 "[ . 1 . 2]" 1 139 1 125 PHE HA 1 126 ASP H 3.270 . 3.270 2.451 2.253 2.620 . 0 0 "[ . 1 . 2]" 1 140 1 125 PHE HB2 1 126 ASP H 3.830 . 3.830 3.623 2.002 3.965 0.135 12 0 "[ . 1 . 2]" 1 141 1 126 ASP HA 1 127 LEU H 3.170 . 3.170 2.323 2.091 2.672 . 0 0 "[ . 1 . 2]" 1 142 1 126 ASP HB2 1 127 LEU H 5.040 . 5.040 3.391 2.077 4.277 . 0 0 "[ . 1 . 2]" 1 143 1 126 ASP HB3 1 127 LEU H 5.040 . 5.040 3.726 2.231 4.428 . 0 0 "[ . 1 . 2]" 1 144 1 127 LEU HA 1 128 SER H 3.240 . 3.240 2.198 2.129 2.429 . 0 0 "[ . 1 . 2]" 1 145 1 127 LEU HB2 1 128 SER H 5.160 . 5.160 4.128 3.601 4.391 . 0 0 "[ . 1 . 2]" 1 146 1 127 LEU HB3 1 128 SER H 4.290 . 4.290 3.186 2.334 3.905 . 0 0 "[ . 1 . 2]" 1 147 1 131 ALA HA 1 132 TYR H 3.390 . 3.390 2.234 2.143 2.365 . 0 0 "[ . 1 . 2]" 1 148 1 132 TYR HA 1 133 GLU H 3.270 . 3.270 2.149 2.095 2.213 . 0 0 "[ . 1 . 2]" 1 149 1 133 GLU HA 1 134 ILE H 3.110 . 3.110 2.241 2.100 2.510 . 0 0 "[ . 1 . 2]" 1 150 1 134 ILE HA 1 135 TYR H 3.210 . 3.210 2.178 2.136 2.283 . 0 0 "[ . 1 . 2]" 1 151 1 136 LEU HB2 1 137 ASP H 4.790 . 4.790 3.075 1.721 4.460 . 0 0 "[ . 1 . 2]" 1 152 1 136 LEU HB3 1 137 ASP H 4.790 . 4.790 3.339 1.479 4.583 . 0 0 "[ . 1 . 2]" 1 153 1 137 ASP HB3 1 138 ASN H 5.280 . 5.280 2.894 1.745 4.373 . 0 0 "[ . 1 . 2]" 1 154 1 139 PRO HB3 1 140 ALA H 3.450 . 3.450 3.239 2.641 3.515 0.065 11 0 "[ . 1 . 2]" 1 155 1 140 ALA H 1 141 GLU H 3.110 . 3.110 3.088 2.612 3.403 0.293 9 0 "[ . 1 . 2]" 1 156 1 141 GLU HB2 1 142 THR H 4.230 . 4.230 3.605 2.533 4.209 . 0 0 "[ . 1 . 2]" 1 157 1 141 GLU HB3 1 142 THR H 4.230 . 4.230 3.285 1.820 4.380 0.150 17 0 "[ . 1 . 2]" 1 158 1 142 THR HA 1 143 ALA H 3.480 . 3.480 2.890 2.166 3.548 0.068 8 0 "[ . 1 . 2]" 1 159 1 142 THR HB 1 143 ALA H 5.190 . 5.190 3.790 1.809 4.576 . 0 0 "[ . 1 . 2]" 1 160 1 144 PRO HB2 1 145 ASP H 4.200 . 4.200 3.269 2.266 3.768 . 0 0 "[ . 1 . 2]" 1 161 1 147 LEU HA 1 148 ARG H 3.360 . 3.360 2.244 2.108 2.807 . 0 0 "[ . 1 . 2]" 1 162 1 148 ARG HA 1 149 THR H 3.270 . 3.270 2.140 2.089 2.217 . 0 0 "[ . 1 . 2]" 1 163 1 150 ARG HA 1 151 VAL H 3.520 . 3.520 2.169 2.102 2.248 . 0 0 "[ . 1 . 2]" 1 164 1 152 SER HA 1 153 LEU H 3.080 . 3.080 2.211 2.106 2.329 . 0 0 "[ . 1 . 2]" 1 165 1 153 LEU HA 1 154 MET H 3.520 . 3.520 2.427 2.211 2.731 . 0 0 "[ . 1 . 2]" 1 166 1 153 LEU HB2 1 154 MET H 5.070 . 5.070 3.269 1.849 4.318 . 0 0 "[ . 1 . 2]" 1 167 1 153 LEU HB3 1 154 MET H 5.070 . 5.070 2.955 1.750 3.960 . 0 0 "[ . 1 . 2]" 1 168 1 154 MET H 1 155 LEU H 5.440 . 5.440 4.229 2.928 4.623 . 0 0 "[ . 1 . 2]" 1 169 1 155 LEU HB2 1 156 HIS H 4.380 . 4.380 3.728 2.362 4.462 0.082 3 0 "[ . 1 . 2]" 1 170 1 155 LEU HB3 1 156 HIS H 4.380 . 4.380 3.475 2.107 4.547 0.167 5 0 "[ . 1 . 2]" 1 171 1 156 HIS HB2 1 157 GLU H 5.500 . 5.500 3.947 2.416 4.658 . 0 0 "[ . 1 . 2]" 1 172 1 159 LEU H 1 160 GLU H 4.290 . 4.290 3.411 1.792 4.471 0.181 10 0 "[ . 1 . 2]" 1 173 1 160 GLU HA 1 161 HIS H 2.860 . 2.860 2.318 2.103 2.917 0.057 17 0 "[ . 1 . 2]" 1 174 1 6 GLN H 1 6 GLN HB2 3.950 . 3.950 3.090 2.401 3.900 . 0 0 "[ . 1 . 2]" 1 175 1 6 GLN H 1 6 GLN HB3 3.950 . 3.950 3.464 2.498 4.086 0.136 2 0 "[ . 1 . 2]" 1 176 1 7 PHE H 1 7 PHE HB2 3.950 . 3.950 3.064 2.411 4.005 0.055 15 0 "[ . 1 . 2]" 1 177 1 11 LEU H 1 11 LEU HB3 3.450 . 3.450 2.581 2.267 3.200 . 0 0 "[ . 1 . 2]" 1 178 1 12 LYS H 1 12 LYS HB2 4.010 . 4.010 2.965 2.471 3.948 . 0 0 "[ . 1 . 2]" 1 179 1 12 LYS H 1 12 LYS HB3 4.010 . 4.010 3.373 2.684 3.858 . 0 0 "[ . 1 . 2]" 1 180 1 14 LEU H 1 14 LEU HB2 3.790 . 3.790 2.449 2.152 2.647 . 0 0 "[ . 1 . 2]" 1 181 1 14 LEU H 1 14 LEU HB3 3.790 . 3.790 3.477 2.496 3.724 . 0 0 "[ . 1 . 2]" 1 182 1 22 ILE H 1 22 ILE HB 3.790 . 3.790 2.914 2.504 3.604 . 0 0 "[ . 1 . 2]" 1 183 1 23 ARG H 1 23 ARG HB2 3.950 . 3.950 3.289 2.387 3.759 . 0 0 "[ . 1 . 2]" 1 184 1 23 ARG H 1 23 ARG HB3 3.950 . 3.950 3.053 2.465 3.775 . 0 0 "[ . 1 . 2]" 1 185 1 31 LEU H 1 31 LEU HB3 3.520 . 3.520 2.856 2.375 3.577 0.057 9 0 "[ . 1 . 2]" 1 186 1 34 LEU H 1 34 LEU HB2 3.920 . 3.920 2.411 2.095 3.622 . 0 0 "[ . 1 . 2]" 1 187 1 36 GLU H 1 36 GLU HB3 3.640 . 3.640 3.051 2.475 3.608 . 0 0 "[ . 1 . 2]" 1 188 1 40 HIS H 1 40 HIS HB2 3.730 . 3.730 2.593 2.100 3.662 . 0 0 "[ . 1 . 2]" 1 189 1 40 HIS H 1 40 HIS HB3 3.730 . 3.730 2.740 2.373 3.627 . 0 0 "[ . 1 . 2]" 1 190 1 46 LEU H 1 46 LEU HB2 3.330 . 3.330 2.381 2.204 2.830 . 0 0 "[ . 1 . 2]" 1 191 1 46 LEU H 1 46 LEU HB3 3.790 . 3.790 3.304 2.576 3.703 . 0 0 "[ . 1 . 2]" 1 192 1 49 GLN H 1 49 GLN HB2 3.830 . 3.830 2.578 2.330 3.391 . 0 0 "[ . 1 . 2]" 1 193 1 49 GLN H 1 49 GLN HB3 3.830 . 3.830 3.078 2.412 3.762 . 0 0 "[ . 1 . 2]" 1 194 1 51 LYS H 1 51 LYS HB2 3.980 . 3.980 3.073 2.367 3.957 . 0 0 "[ . 1 . 2]" 1 195 1 51 LYS H 1 51 LYS HB3 3.980 . 3.980 3.598 2.460 3.883 . 0 0 "[ . 1 . 2]" 1 196 1 52 SER H 1 52 SER HB2 3.980 . 3.980 3.256 2.696 3.837 . 0 0 "[ . 1 . 2]" 1 197 1 52 SER H 1 52 SER HB3 3.980 . 3.980 3.574 3.059 3.948 . 0 0 "[ . 1 . 2]" 1 198 1 64 MET H 1 64 MET HB2 4.040 . 4.040 2.801 2.288 3.743 . 0 0 "[ . 1 . 2]" 1 199 1 64 MET H 1 64 MET HB3 4.040 . 4.040 3.620 2.877 4.100 0.060 11 0 "[ . 1 . 2]" 1 200 1 68 THR H 1 68 THR HB 3.480 . 3.480 2.769 2.531 3.599 0.119 12 0 "[ . 1 . 2]" 1 201 1 81 VAL H 1 81 VAL HB 3.110 . 3.110 2.757 2.637 2.919 . 0 0 "[ . 1 . 2]" 1 202 1 87 VAL H 1 87 VAL HB 3.330 . 3.330 2.743 2.518 3.303 . 0 0 "[ . 1 . 2]" 1 203 1 89 THR H 1 89 THR HB 3.950 . 3.950 3.128 2.732 3.629 . 0 0 "[ . 1 . 2]" 1 204 1 101 LEU H 1 101 LEU HB2 3.670 . 3.670 3.030 2.358 3.719 0.049 18 0 "[ . 1 . 2]" 1 205 1 101 LEU H 1 101 LEU HB3 3.670 . 3.670 3.276 2.616 3.724 0.054 16 0 "[ . 1 . 2]" 1 206 1 109 ILE H 1 109 ILE HB 3.240 . 3.240 2.545 2.405 2.664 . 0 0 "[ . 1 . 2]" 1 207 1 110 GLU H 1 110 GLU HB2 3.610 . 3.610 2.641 2.322 3.619 0.009 4 0 "[ . 1 . 2]" 1 208 1 110 GLU H 1 110 GLU HB3 3.610 . 3.610 3.101 2.468 3.613 0.003 19 0 "[ . 1 . 2]" 1 209 1 113 TYR H 1 113 TYR HB2 3.890 . 3.890 2.386 2.101 2.754 . 0 0 "[ . 1 . 2]" 1 210 1 113 TYR H 1 113 TYR HB3 3.890 . 3.890 3.107 2.371 3.614 . 0 0 "[ . 1 . 2]" 1 211 1 116 LEU H 1 116 LEU HB2 4.070 . 4.070 2.403 2.069 3.644 . 0 0 "[ . 1 . 2]" 1 212 1 116 LEU H 1 116 LEU HB3 4.070 . 4.070 3.357 2.457 3.590 . 0 0 "[ . 1 . 2]" 1 213 1 118 LYS H 1 118 LYS HB3 3.420 . 3.420 2.636 2.307 3.451 0.031 5 0 "[ . 1 . 2]" 1 214 1 120 VAL H 1 120 VAL HB 3.240 . 3.240 2.527 2.401 2.649 . 0 0 "[ . 1 . 2]" 1 215 1 121 ASP H 1 121 ASP HB2 3.420 . 3.420 2.594 2.501 2.731 . 0 0 "[ . 1 . 2]" 1 216 1 121 ASP H 1 121 ASP HB3 3.420 . 3.420 2.482 2.365 2.584 . 0 0 "[ . 1 . 2]" 1 217 1 122 ASP H 1 122 ASP HB2 3.480 . 3.480 2.681 2.432 3.569 0.089 7 0 "[ . 1 . 2]" 1 218 1 122 ASP H 1 122 ASP HB3 3.480 . 3.480 2.440 2.318 2.564 . 0 0 "[ . 1 . 2]" 1 219 1 123 ASN H 1 123 ASN HB2 4.170 . 4.170 2.414 2.182 3.658 . 0 0 "[ . 1 . 2]" 1 220 1 123 ASN H 1 123 ASN HB3 4.170 . 4.170 3.173 2.530 3.661 . 0 0 "[ . 1 . 2]" 1 221 1 125 PHE H 1 125 PHE HB2 4.010 . 4.010 2.697 2.195 4.061 0.051 20 0 "[ . 1 . 2]" 1 222 1 125 PHE H 1 125 PHE HB3 3.480 . 3.480 3.400 2.691 3.699 0.219 13 0 "[ . 1 . 2]" 1 223 1 127 LEU H 1 127 LEU HB2 3.300 . 3.300 2.674 2.364 3.318 0.018 5 0 "[ . 1 . 2]" 1 224 1 134 ILE H 1 134 ILE HB 3.950 . 3.950 3.009 2.423 3.921 . 0 0 "[ . 1 . 2]" 1 225 1 135 TYR H 1 135 TYR HB3 3.890 . 3.890 3.639 2.861 3.814 . 0 0 "[ . 1 . 2]" 1 226 1 138 ASN H 1 138 ASN HB2 3.950 . 3.950 2.863 2.303 3.872 . 0 0 "[ . 1 . 2]" 1 227 1 141 GLU H 1 141 GLU HB2 3.860 . 3.860 2.788 2.228 3.742 . 0 0 "[ . 1 . 2]" 1 228 1 141 GLU H 1 141 GLU HB3 3.860 . 3.860 3.061 2.422 3.971 0.111 17 0 "[ . 1 . 2]" 1 229 1 142 THR H 1 142 THR HB 3.300 . 3.300 3.039 2.523 3.478 0.178 13 0 "[ . 1 . 2]" 1 230 1 145 ASP H 1 145 ASP HB2 3.790 . 3.790 3.193 2.391 3.646 . 0 0 "[ . 1 . 2]" 1 231 1 145 ASP H 1 145 ASP HB3 3.790 . 3.790 3.495 2.483 3.731 . 0 0 "[ . 1 . 2]" 1 232 1 146 GLN H 1 146 GLN HB2 4.140 . 4.140 2.654 2.324 3.735 . 0 0 "[ . 1 . 2]" 1 233 1 146 GLN H 1 146 GLN HB3 4.140 . 4.140 3.346 2.570 3.761 . 0 0 "[ . 1 . 2]" 1 234 1 147 LEU H 1 147 LEU HB2 3.920 . 3.920 2.496 2.197 3.765 . 0 0 "[ . 1 . 2]" 1 235 1 147 LEU H 1 147 LEU HB3 3.920 . 3.920 3.335 2.597 3.606 . 0 0 "[ . 1 . 2]" 1 236 1 151 VAL H 1 151 VAL HB 3.730 . 3.730 2.902 2.801 3.121 . 0 0 "[ . 1 . 2]" 1 237 1 153 LEU H 1 153 LEU HB2 4.040 . 4.040 2.976 2.275 3.838 . 0 0 "[ . 1 . 2]" 1 238 1 153 LEU H 1 153 LEU HB3 4.040 . 4.040 3.325 2.588 3.835 . 0 0 "[ . 1 . 2]" 1 239 1 156 HIS H 1 156 HIS HB2 3.730 . 3.730 3.011 2.154 3.923 0.193 3 0 "[ . 1 . 2]" 1 240 1 156 HIS H 1 156 HIS HB3 3.730 . 3.730 3.141 2.405 3.728 . 0 0 "[ . 1 . 2]" 1 241 1 160 GLU H 1 160 GLU HA 2.800 . 2.800 2.778 2.243 2.932 0.132 12 0 "[ . 1 . 2]" 1 242 1 6 GLN H 1 7 PHE H 4.110 . 4.110 3.834 2.229 4.281 0.171 10 0 "[ . 1 . 2]" 1 243 1 7 PHE H 1 8 VAL H 4.880 . 4.880 4.219 2.756 4.618 . 0 0 "[ . 1 . 2]" 1 244 1 13 GLU H 1 14 LEU H 4.540 . 4.540 4.459 4.304 4.574 0.034 8 0 "[ . 1 . 2]" 1 245 1 14 LEU H 1 15 ALA H 4.720 . 4.720 4.443 4.107 4.589 . 0 0 "[ . 1 . 2]" 1 246 1 25 GLN H 1 26 THR H 5.160 . 5.160 4.455 4.307 4.597 . 0 0 "[ . 1 . 2]" 1 247 1 29 SER H 1 30 GLU H 3.860 . 3.860 2.655 1.953 3.498 . 0 0 "[ . 1 . 2]" 1 248 1 30 GLU H 1 31 LEU H 3.520 . 3.520 2.451 1.565 3.593 0.073 18 0 "[ . 1 . 2]" 1 249 1 31 LEU H 1 32 GLY H 3.860 . 3.860 2.757 2.412 3.115 . 0 0 "[ . 1 . 2]" 1 250 1 32 GLY H 1 33 SER H 3.610 . 3.610 2.778 2.218 3.203 . 0 0 "[ . 1 . 2]" 1 251 1 33 SER H 1 34 LEU H 3.420 . 3.420 2.642 2.436 2.855 . 0 0 "[ . 1 . 2]" 1 252 1 36 GLU H 1 37 ALA H 3.790 . 3.790 2.776 2.563 2.966 . 0 0 "[ . 1 . 2]" 1 253 1 39 TYR H 1 40 HIS H 3.670 . 3.670 2.569 2.399 2.945 . 0 0 "[ . 1 . 2]" 1 254 1 49 GLN H 1 50 GLY H 2.990 . 2.990 2.309 1.795 2.554 . 0 0 "[ . 1 . 2]" 1 255 1 50 GLY H 1 51 LYS H 3.580 . 3.580 2.345 1.970 2.662 . 0 0 "[ . 1 . 2]" 1 256 1 51 LYS H 1 52 SER H 5.040 . 5.040 4.418 4.341 4.494 . 0 0 "[ . 1 . 2]" 1 257 1 60 ARG H 1 61 TYR H 5.070 . 5.070 4.423 4.261 4.521 . 0 0 "[ . 1 . 2]" 1 258 1 67 GLY H 1 68 THR H 3.860 . 3.860 3.010 1.968 3.964 0.104 11 0 "[ . 1 . 2]" 1 259 1 68 THR H 1 69 PHE H 5.500 . 5.500 4.440 4.146 4.641 . 0 0 "[ . 1 . 2]" 1 260 1 80 GLY H 1 81 VAL H 3.730 . 3.730 2.694 1.775 3.728 . 0 0 "[ . 1 . 2]" 1 261 1 81 VAL H 1 82 GLU H 4.660 . 4.660 4.492 4.398 4.608 . 0 0 "[ . 1 . 2]" 1 262 1 86 ARG H 1 87 VAL H 4.040 . 4.040 2.590 2.098 3.599 . 0 0 "[ . 1 . 2]" 1 263 1 87 VAL H 1 88 VAL H 4.760 . 4.760 4.373 4.130 4.595 . 0 0 "[ . 1 . 2]" 1 264 1 91 LEU H 1 92 THR H 5.310 . 5.310 4.407 4.210 4.526 . 0 0 "[ . 1 . 2]" 1 265 1 95 GLY H 1 96 LYS H 4.570 . 4.570 4.311 3.751 4.460 . 0 0 "[ . 1 . 2]" 1 266 1 109 ILE H 1 110 GLU H 3.760 . 3.760 2.482 2.284 2.651 . 0 0 "[ . 1 . 2]" 1 267 1 110 GLU H 1 111 ALA H 3.790 . 3.790 2.671 2.457 2.901 . 0 0 "[ . 1 . 2]" 1 268 1 112 VAL H 1 113 TYR H 3.330 . 3.330 2.424 2.245 2.634 . 0 0 "[ . 1 . 2]" 1 269 1 115 ALA H 1 116 LEU H 3.730 . 3.730 2.591 2.189 2.810 . 0 0 "[ . 1 . 2]" 1 270 1 118 LYS H 1 119 TRP H 4.510 . 4.510 2.566 2.394 2.807 . 0 0 "[ . 1 . 2]" 1 271 1 120 VAL H 1 121 ASP H 3.610 . 3.610 2.608 2.399 2.909 . 0 0 "[ . 1 . 2]" 1 272 1 123 ASN H 1 124 GLY H 3.210 . 3.210 2.495 2.207 2.715 . 0 0 "[ . 1 . 2]" 1 273 1 128 SER H 1 129 GLY H 4.110 . 4.110 2.908 2.075 3.807 . 0 0 "[ . 1 . 2]" 1 274 1 129 GLY H 1 130 GLU H 3.700 . 3.700 3.118 1.898 3.836 0.136 17 0 "[ . 1 . 2]" 1 275 1 141 GLU H 1 142 THR H 2.830 . 2.830 2.385 1.999 2.841 0.011 20 0 "[ . 1 . 2]" 1 276 1 145 ASP H 1 146 GLN H 3.140 . 3.140 2.844 2.390 3.257 0.117 17 0 "[ . 1 . 2]" 1 277 1 146 GLN H 1 147 LEU H 3.020 . 3.020 2.372 2.044 3.035 0.015 19 0 "[ . 1 . 2]" 1 278 1 149 THR H 1 150 ARG H 4.480 . 4.480 4.259 3.921 4.507 0.027 2 0 "[ . 1 . 2]" 1 279 1 27 ALA H 1 30 GLU HB2 4.200 . 4.200 3.385 2.173 4.246 0.046 8 0 "[ . 1 . 2]" 1 280 1 27 ALA H 1 30 GLU HB3 4.200 . 4.200 3.136 2.179 4.300 0.100 18 0 "[ . 1 . 2]" 1 281 1 31 LEU HA 1 34 LEU H 4.570 . 4.570 3.848 3.031 4.586 0.016 5 0 "[ . 1 . 2]" 1 282 1 33 SER HA 1 36 GLU H 3.920 . 3.920 3.639 3.306 3.898 . 0 0 "[ . 1 . 2]" 1 283 1 44 GLN HA 1 47 ALA H 3.920 . 3.920 3.675 2.896 4.023 0.103 9 0 "[ . 1 . 2]" 1 284 1 47 ALA HA 1 51 LYS H 3.950 . 3.950 3.583 2.968 4.019 0.069 10 0 "[ . 1 . 2]" 1 285 1 46 LEU HA 1 51 LYS H 4.850 . 4.850 4.041 3.343 4.938 0.088 12 0 "[ . 1 . 2]" 1 286 1 53 PRO HB2 1 55 GLY H 3.950 . 3.950 2.721 2.224 3.807 . 0 0 "[ . 1 . 2]" 1 287 1 53 PRO HB3 1 55 GLY H 3.950 . 3.950 3.575 3.219 3.983 0.033 8 0 "[ . 1 . 2]" 1 288 1 53 PRO HA 1 55 GLY H 4.290 . 4.290 3.832 3.626 4.290 . 0 0 "[ . 1 . 2]" 1 289 1 84 SER H 1 87 VAL HB 4.170 . 4.170 3.353 1.879 4.282 0.112 16 0 "[ . 1 . 2]" 1 290 1 20 LEU HA 1 90 GLY H 4.230 . 4.230 3.446 2.649 3.880 . 0 0 "[ . 1 . 2]" 1 291 1 109 ILE HA 1 112 VAL H 3.980 . 3.980 3.502 2.999 3.952 . 0 0 "[ . 1 . 2]" 1 292 1 109 ILE HA 1 111 ALA H 4.420 . 4.420 3.861 3.265 4.311 . 0 0 "[ . 1 . 2]" 1 293 1 110 GLU HA 1 113 TYR H 3.950 . 3.950 3.242 2.701 3.816 . 0 0 "[ . 1 . 2]" 1 294 1 112 VAL HA 1 115 ALA H 4.380 . 4.380 3.350 3.065 3.608 . 0 0 "[ . 1 . 2]" 1 295 1 120 VAL HA 1 123 ASN H 4.940 . 4.940 3.387 2.897 3.882 . 0 0 "[ . 1 . 2]" 1 296 1 120 VAL HA 1 125 PHE H 4.510 . 4.510 3.888 3.009 4.495 . 0 0 "[ . 1 . 2]" 1 297 1 127 LEU HB2 1 129 GLY H 4.170 . 4.170 4.151 3.688 4.296 0.126 5 0 "[ . 1 . 2]" 1 298 1 127 LEU HB3 1 129 GLY H 3.700 . 3.700 3.131 2.279 3.718 0.018 3 0 "[ . 1 . 2]" 1 299 1 97 ALA HA 1 155 LEU H 5.500 . 5.500 4.784 2.548 5.657 0.157 20 0 "[ . 1 . 2]" 1 300 1 12 LYS H 1 97 ALA H 3.730 . 3.730 3.080 2.575 3.374 . 0 0 "[ . 1 . 2]" 1 301 1 21 LEU H 1 88 VAL H 3.700 . 3.700 3.240 3.022 3.527 . 0 0 "[ . 1 . 2]" 1 302 1 26 THR H 1 69 PHE H 4.070 . 4.070 3.602 2.804 4.116 0.046 18 0 "[ . 1 . 2]" 1 303 1 60 ARG H 1 72 GLU H 4.290 . 4.290 3.102 2.782 3.444 . 0 0 "[ . 1 . 2]" 1 304 1 17 VAL H 1 92 THR H 3.520 . 3.520 2.497 2.155 2.957 . 0 0 "[ . 1 . 2]" 1 305 1 14 LEU H 1 95 GLY H 4.110 . 4.110 2.850 2.145 3.997 . 0 0 "[ . 1 . 2]" 1 306 1 98 ALA H 1 153 LEU H 4.850 . 4.850 3.695 2.948 4.382 . 0 0 "[ . 1 . 2]" 1 307 1 10 GLU H 1 99 SER H 3.730 . 3.730 3.322 2.706 3.767 0.037 8 0 "[ . 1 . 2]" 1 308 1 104 GLY H 1 147 LEU H 5.040 . 5.040 4.043 2.727 5.123 0.083 2 0 "[ . 1 . 2]" 1 309 1 60 ARG HA 1 133 GLU H 4.880 . 4.880 3.441 2.738 3.912 . 0 0 "[ . 1 . 2]" 1 310 1 58 PHE HA 1 135 TYR H 4.260 . 4.260 2.876 2.328 3.520 . 0 0 "[ . 1 . 2]" 1 311 1 140 ALA H 1 142 THR H 4.420 . 4.420 3.761 3.156 4.556 0.136 5 0 "[ . 1 . 2]" 1 312 1 20 LEU H 1 75 PHE H 4.480 . 4.480 3.181 2.731 3.600 . 0 0 "[ . 1 . 2]" 1 313 1 49 GLN H 1 51 LYS H 4.260 . 4.260 3.897 3.152 4.304 0.044 4 0 "[ . 1 . 2]" 1 314 1 59 ALA H 1 133 GLU H 4.910 . 4.910 3.208 2.745 3.696 . 0 0 "[ . 1 . 2]" 1 315 1 61 TYR H 1 131 ALA H 4.760 . 4.760 3.118 2.652 3.460 . 0 0 "[ . 1 . 2]" 1 316 1 84 SER H 1 87 VAL H 4.570 . 4.570 3.691 2.913 4.614 0.044 18 0 "[ . 1 . 2]" 1 317 1 100 SER H 1 151 VAL H 4.630 . 4.630 3.211 2.911 3.701 . 0 0 "[ . 1 . 2]" 1 318 1 102 TYR H 1 149 THR H 5.500 . 5.500 3.044 2.264 4.144 . 0 0 "[ . 1 . 2]" 1 319 1 132 TYR H 1 152 SER H 5.130 . 5.130 3.130 2.543 3.652 . 0 0 "[ . 1 . 2]" 1 320 1 40 HIS H 1 41 ASP H 3.760 . 3.760 2.605 2.477 2.905 . 0 0 "[ . 1 . 2]" 1 321 1 40 HIS HB3 1 41 ASP H 4.690 . 4.690 2.990 2.303 4.096 . 0 0 "[ . 1 . 2]" 1 322 1 45 LEU H 1 46 LEU H 3.700 . 3.700 2.578 2.213 2.732 . 0 0 "[ . 1 . 2]" 1 323 1 44 GLN H 1 45 LEU H 3.580 . 3.580 2.671 2.456 2.921 . 0 0 "[ . 1 . 2]" 1 324 1 25 GLN HG3 1 26 THR H 5.500 . 5.500 4.863 3.891 5.550 0.050 7 0 "[ . 1 . 2]" 1 325 1 34 LEU HG 1 35 PHE H 5.500 . 5.500 4.462 2.518 5.296 . 0 0 "[ . 1 . 2]" 1 326 1 46 LEU HG 1 47 ALA H 5.500 . 5.500 4.597 3.497 5.255 . 0 0 "[ . 1 . 2]" 1 327 1 51 LYS HD2 1 52 SER H 5.500 . 5.500 5.116 3.226 5.582 0.082 3 0 "[ . 1 . 2]" 1 328 1 51 LYS HD3 1 52 SER H 5.500 . 5.500 4.626 3.664 5.548 0.048 1 0 "[ . 1 . 2]" 1 329 1 53 PRO HG2 1 54 SER H 5.500 . 5.500 5.264 4.560 5.655 0.155 7 0 "[ . 1 . 2]" 1 330 1 53 PRO HG3 1 54 SER H 5.500 . 5.500 5.164 4.775 5.558 0.058 11 0 "[ . 1 . 2]" 1 331 1 58 PHE QD 1 59 ALA H 7.630 . 7.630 4.153 2.920 4.819 . 0 0 "[ . 1 . 2]" 1 332 1 96 LYS HG2 1 97 ALA H 5.500 . 5.500 4.846 3.408 5.323 . 0 0 "[ . 1 . 2]" 1 333 1 96 LYS HD2 1 97 ALA H 5.500 . 5.500 4.678 3.777 5.612 0.112 3 0 "[ . 1 . 2]" 1 334 1 96 LYS HD3 1 97 ALA H 5.500 . 5.500 4.851 3.955 5.626 0.126 8 0 "[ . 1 . 2]" 1 335 1 110 GLU HG2 1 111 ALA H 5.500 . 5.500 4.462 2.428 5.178 . 0 0 "[ . 1 . 2]" 1 336 1 110 GLU HG3 1 111 ALA H 5.500 . 5.500 4.386 2.909 5.112 . 0 0 "[ . 1 . 2]" 1 337 1 117 MET HG2 1 118 LYS H 5.500 . 5.500 3.897 2.563 4.718 . 0 0 "[ . 1 . 2]" 1 338 1 117 MET HG3 1 118 LYS H 5.500 . 5.500 4.048 2.124 4.986 . 0 0 "[ . 1 . 2]" 1 339 1 119 TRP HE3 1 120 VAL H 5.500 . 5.500 3.478 2.688 4.634 . 0 0 "[ . 1 . 2]" 1 340 1 144 PRO HG2 1 145 ASP H 5.500 . 5.500 4.527 2.325 5.537 0.037 8 0 "[ . 1 . 2]" 1 341 1 144 PRO HG3 1 145 ASP H 5.500 . 5.500 4.969 3.829 5.616 0.116 5 0 "[ . 1 . 2]" 1 342 1 144 PRO HD2 1 145 ASP H 5.500 . 5.500 4.758 2.477 5.606 0.106 19 0 "[ . 1 . 2]" 1 343 1 144 PRO HD3 1 145 ASP H 5.500 . 5.500 5.144 3.737 5.726 0.226 15 0 "[ . 1 . 2]" 1 344 1 150 ARG HG2 1 151 VAL H 5.500 . 5.500 4.558 3.686 5.522 0.022 15 0 "[ . 1 . 2]" 1 345 1 150 ARG HG3 1 151 VAL H 5.500 . 5.500 4.617 3.384 5.399 . 0 0 "[ . 1 . 2]" 1 346 1 4 GLU H 1 4 GLU HG2 5.500 . 5.500 4.013 2.123 5.313 . 0 0 "[ . 1 . 2]" 1 347 1 4 GLU H 1 4 GLU HG3 5.500 . 5.500 3.756 1.871 4.968 . 0 0 "[ . 1 . 2]" 1 348 1 20 LEU H 1 20 LEU HG 5.500 . 5.500 3.922 2.160 4.778 . 0 0 "[ . 1 . 2]" 1 349 1 23 ARG H 1 23 ARG HG2 5.500 . 5.500 2.791 1.832 4.431 . 0 0 "[ . 1 . 2]" 1 350 1 23 ARG H 1 23 ARG HG3 5.500 . 5.500 3.216 2.384 4.595 . 0 0 "[ . 1 . 2]" 1 351 1 25 GLN H 1 25 GLN HG3 5.500 . 5.500 2.982 1.562 4.016 . 0 0 "[ . 1 . 2]" 1 352 1 34 LEU H 1 34 LEU HG 5.500 . 5.500 3.987 2.220 4.532 . 0 0 "[ . 1 . 2]" 1 353 1 64 MET H 1 64 MET HG2 5.500 . 5.500 3.121 1.861 4.225 . 0 0 "[ . 1 . 2]" 1 354 1 64 MET H 1 64 MET HG3 5.500 . 5.500 3.458 2.167 4.554 . 0 0 "[ . 1 . 2]" 1 355 1 70 GLU H 1 70 GLU HG2 5.500 . 5.500 4.168 2.038 4.665 . 0 0 "[ . 1 . 2]" 1 356 1 70 GLU H 1 70 GLU HG3 5.500 . 5.500 4.114 2.570 4.670 . 0 0 "[ . 1 . 2]" 1 357 1 91 LEU H 1 91 LEU HG 5.500 . 5.500 3.739 2.388 4.666 . 0 0 "[ . 1 . 2]" 1 358 1 130 GLU H 1 130 GLU HG2 5.500 . 5.500 3.563 1.955 5.054 . 0 0 "[ . 1 . 2]" 1 359 1 130 GLU H 1 130 GLU HG3 5.500 . 5.500 3.769 2.868 4.972 . 0 0 "[ . 1 . 2]" 1 360 1 133 GLU H 1 133 GLU HG2 5.500 . 5.500 3.419 1.769 4.393 . 0 0 "[ . 1 . 2]" 1 361 1 133 GLU H 1 133 GLU HG3 5.500 . 5.500 3.186 2.494 4.555 . 0 0 "[ . 1 . 2]" 1 362 1 136 LEU H 1 136 LEU HG 5.500 . 5.500 3.579 2.285 4.697 . 0 0 "[ . 1 . 2]" 1 363 1 150 ARG H 1 150 ARG HG2 5.500 . 5.500 3.421 1.854 4.487 . 0 0 "[ . 1 . 2]" 1 364 1 150 ARG H 1 150 ARG HG3 5.500 . 5.500 3.419 1.811 4.786 . 0 0 "[ . 1 . 2]" 1 365 1 155 LEU H 1 155 LEU HG 5.500 . 5.500 3.527 2.290 5.031 . 0 0 "[ . 1 . 2]" 1 366 1 58 PHE QE 1 75 PHE H 7.630 . 7.630 5.431 3.958 6.801 . 0 0 "[ . 1 . 2]" 1 367 1 49 GLN HE21 1 82 GLU H 5.500 . 5.500 4.120 2.683 5.434 . 0 0 "[ . 1 . 2]" 1 368 1 49 GLN HE22 1 82 GLU HB3 7.230 . 7.230 4.890 2.946 6.728 . 0 0 "[ . 1 . 2]" 1 369 1 49 GLN HE21 1 82 GLU HB2 7.230 . 7.230 5.244 3.472 7.115 . 0 0 "[ . 1 . 2]" 1 370 1 49 GLN HE21 1 82 GLU HB3 7.230 . 7.230 5.583 3.480 7.228 . 0 0 "[ . 1 . 2]" 1 371 1 49 GLN HE22 1 82 GLU H 5.500 . 5.500 3.430 2.424 5.312 . 0 0 "[ . 1 . 2]" 1 372 1 123 ASN H 1 123 ASN HD21 5.500 . 5.500 3.443 2.329 4.861 . 0 0 "[ . 1 . 2]" 1 373 1 123 ASN H 1 123 ASN HD22 5.500 . 5.500 4.698 3.560 5.627 0.127 2 0 "[ . 1 . 2]" 1 374 1 119 TRP HE1 1 123 ASN HD21 5.500 . 5.500 4.487 3.600 5.670 0.170 1 0 "[ . 1 . 2]" 1 375 1 119 TRP HE1 1 123 ASN HD22 5.500 . 5.500 4.512 2.642 5.590 0.090 8 0 "[ . 1 . 2]" 1 376 1 8 VAL MG2 1 9 CYS H 6.520 . 6.520 3.376 2.494 4.246 . 0 0 "[ . 1 . 2]" 1 377 1 22 ILE MD 1 23 ARG H 6.520 . 6.520 4.076 1.918 5.280 . 0 0 "[ . 1 . 2]" 1 378 1 34 LEU MD2 1 35 PHE H 6.520 . 6.520 4.295 3.353 4.695 . 0 0 "[ . 1 . 2]" 1 379 1 46 LEU MD1 1 47 ALA H 6.520 . 6.520 4.459 3.026 4.758 . 0 0 "[ . 1 . 2]" 1 380 1 46 LEU MD2 1 47 ALA H 6.520 . 6.520 4.083 3.130 4.639 . 0 0 "[ . 1 . 2]" 1 381 1 91 LEU MD1 1 92 THR H 6.490 . 6.490 4.094 2.333 4.708 . 0 0 "[ . 1 . 2]" 1 382 1 101 LEU MD1 1 102 TYR H 6.520 . 6.520 4.478 3.156 5.448 . 0 0 "[ . 1 . 2]" 1 383 1 109 ILE MG 1 110 GLU H 6.050 . 6.050 2.791 2.388 3.979 . 0 0 "[ . 1 . 2]" 1 384 1 117 MET ME 1 118 LYS H 6.520 . 6.520 4.254 3.114 5.171 . 0 0 "[ . 1 . 2]" 1 385 1 127 LEU MD1 1 128 SER H 6.520 . 6.520 4.177 2.365 5.124 . 0 0 "[ . 1 . 2]" 1 386 1 142 THR MG 1 143 ALA H 6.180 . 6.180 3.042 1.547 4.389 . 0 0 "[ . 1 . 2]" 1 387 1 147 LEU MD2 1 148 ARG H 6.520 . 6.520 3.947 1.767 5.464 . 0 0 "[ . 1 . 2]" 1 388 1 151 VAL MG1 1 152 SER H 6.520 . 6.520 4.012 3.681 4.204 . 0 0 "[ . 1 . 2]" 1 389 1 155 LEU MD2 1 156 HIS H 6.520 . 6.520 4.083 2.506 4.774 . 0 0 "[ . 1 . 2]" 1 390 1 154 MET H 1 154 MET ME 6.520 . 6.520 3.904 2.052 5.690 . 0 0 "[ . 1 . 2]" 1 391 1 10 GLU H 1 98 ALA MB 6.520 . 6.520 4.698 4.029 5.218 . 0 0 "[ . 1 . 2]" 1 392 1 10 GLU H 1 116 LEU MD2 6.520 . 6.520 4.589 3.474 5.432 . 0 0 "[ . 1 . 2]" 1 393 1 17 VAL H 1 91 LEU MD2 6.520 . 6.520 4.542 3.404 5.532 . 0 0 "[ . 1 . 2]" 1 394 1 46 LEU MD1 1 51 LYS H 6.520 . 6.520 4.476 3.333 5.492 . 0 0 "[ . 1 . 2]" 1 395 1 54 SER H 1 77 VAL MG1 6.520 . 6.520 4.174 3.308 5.109 . 0 0 "[ . 1 . 2]" 1 396 1 26 THR MG 1 71 VAL H 6.520 . 6.520 4.400 3.451 5.487 . 0 0 "[ . 1 . 2]" 1 397 1 19 ALA MB 1 75 PHE H 6.520 . 6.520 3.400 2.667 3.801 . 0 0 "[ . 1 . 2]" 1 398 1 19 ALA MB 1 77 VAL H 6.520 . 6.520 3.800 3.200 4.579 . 0 0 "[ . 1 . 2]" 1 399 1 45 LEU MD1 1 83 GLY H 6.520 . 6.520 4.799 3.574 5.306 . 0 0 "[ . 1 . 2]" 1 400 1 20 LEU MD2 1 89 THR H 6.520 . 6.520 4.685 2.947 5.476 . 0 0 "[ . 1 . 2]" 1 401 1 11 LEU MD2 1 97 ALA H 6.520 . 6.520 4.270 2.264 5.550 . 0 0 "[ . 1 . 2]" 1 402 1 126 ASP H 1 155 LEU MD1 6.520 . 6.520 4.144 3.109 5.420 . 0 0 "[ . 1 . 2]" 1 403 1 140 ALA H 1 142 THR MG 6.520 . 6.520 4.359 3.310 5.435 . 0 0 "[ . 1 . 2]" 1 404 1 140 ALA H 1 147 LEU MD2 6.520 . 6.520 3.793 1.969 5.056 . 0 0 "[ . 1 . 2]" 1 405 1 140 ALA MB 1 142 THR H 6.520 . 6.520 4.592 3.756 5.438 . 0 0 "[ . 1 . 2]" 1 406 1 142 THR H 1 147 LEU MD2 6.520 . 6.520 4.027 2.709 5.137 . 0 0 "[ . 1 . 2]" 1 407 1 143 ALA MB 1 145 ASP H 6.330 . 6.330 4.618 2.623 5.381 . 0 0 "[ . 1 . 2]" 1 408 1 134 ILE MG 1 150 ARG H 6.520 . 6.520 3.817 1.881 5.216 . 0 0 "[ . 1 . 2]" 1 409 1 116 LEU MD2 1 153 LEU H 6.520 . 6.520 4.104 2.216 5.279 . 0 0 "[ . 1 . 2]" 1 410 1 45 LEU MD1 1 49 GLN HE22 6.520 . 6.520 4.069 1.899 5.372 . 0 0 "[ . 1 . 2]" 1 411 1 49 GLN HE22 1 81 VAL MG1 8.250 . 8.250 3.427 1.551 5.304 . 0 0 "[ . 1 . 2]" 1 412 1 21 LEU H 1 88 VAL MG2 6.520 . 6.520 3.431 2.988 4.093 . 0 0 "[ . 1 . 2]" 1 413 1 7 PHE H 1 7 PHE HB3 3.950 . 3.950 3.525 2.677 4.075 0.125 3 0 "[ . 1 . 2]" 1 414 1 8 VAL H 1 8 VAL HB 3.240 . 3.240 2.697 2.515 3.198 . 0 0 "[ . 1 . 2]" 1 415 1 11 LEU H 1 11 LEU HB2 3.390 . 3.390 2.854 2.469 3.662 0.272 19 0 "[ . 1 . 2]" 1 416 1 13 GLU H 1 13 GLU HB2 3.860 . 3.860 3.205 2.507 3.766 . 0 0 "[ . 1 . 2]" 1 417 1 13 GLU H 1 13 GLU HB3 3.860 . 3.860 3.079 2.442 3.650 . 0 0 "[ . 1 . 2]" 1 418 1 31 LEU H 1 31 LEU HB2 3.520 . 3.520 2.543 2.141 3.601 0.081 15 0 "[ . 1 . 2]" 1 419 1 34 LEU H 1 34 LEU HB3 3.920 . 3.920 2.927 2.471 3.596 . 0 0 "[ . 1 . 2]" 1 420 1 36 GLU H 1 36 GLU HB2 3.640 . 3.640 2.436 2.101 2.545 . 0 0 "[ . 1 . 2]" 1 421 1 103 ILE H 1 103 ILE HB 3.610 . 3.610 2.901 2.504 3.734 0.124 18 0 "[ . 1 . 2]" 1 422 1 112 VAL H 1 112 VAL HB 3.420 . 3.420 2.703 2.492 3.631 0.211 2 0 "[ . 1 . 2]" 1 423 1 114 ASP H 1 114 ASP HB2 4.010 . 4.010 2.445 2.160 2.712 . 0 0 "[ . 1 . 2]" 1 424 1 114 ASP H 1 114 ASP HB3 4.010 . 4.010 2.764 2.389 3.609 . 0 0 "[ . 1 . 2]" 1 425 1 118 LYS H 1 118 LYS HB2 3.450 . 3.450 2.649 2.080 3.602 0.152 6 0 "[ . 1 . 2]" 1 426 1 138 ASN H 1 138 ASN HB3 3.950 . 3.950 2.951 2.450 3.632 . 0 0 "[ . 1 . 2]" 1 427 1 2 ASP HB2 1 3 PHE H 5.500 . 5.500 3.105 1.782 4.501 . 0 0 "[ . 1 . 2]" 1 428 1 12 LYS HB2 1 13 GLU H 4.600 . 4.600 3.593 2.191 4.319 . 0 0 "[ . 1 . 2]" 1 429 1 12 LYS HB3 1 13 GLU H 4.600 . 4.600 3.229 2.063 4.099 . 0 0 "[ . 1 . 2]" 1 430 1 18 PRO HB2 1 19 ALA H 4.140 . 4.140 3.899 3.342 4.132 . 0 0 "[ . 1 . 2]" 1 431 1 34 LEU HB3 1 35 PHE H 4.140 . 4.140 2.891 2.282 4.113 . 0 0 "[ . 1 . 2]" 1 432 1 36 GLU HB2 1 37 ALA H 4.450 . 4.450 3.233 2.340 3.909 . 0 0 "[ . 1 . 2]" 1 433 1 36 GLU HB3 1 37 ALA H 4.450 . 4.450 2.923 2.206 4.016 . 0 0 "[ . 1 . 2]" 1 434 1 53 PRO HB3 1 54 SER H 4.070 . 4.070 3.378 2.816 3.747 . 0 0 "[ . 1 . 2]" 1 435 1 58 PHE HB3 1 59 ALA H 4.850 . 4.850 3.292 2.168 4.247 . 0 0 "[ . 1 . 2]" 1 436 1 69 PHE HB3 1 70 GLU H 4.320 . 4.320 3.954 3.495 4.352 0.032 19 0 "[ . 1 . 2]" 1 437 1 77 VAL HB 1 78 GLU H 3.360 . 3.360 2.268 1.810 2.914 . 0 0 "[ . 1 . 2]" 1 438 1 78 GLU HB2 1 79 GLY H 4.260 . 4.260 3.509 2.042 3.987 . 0 0 "[ . 1 . 2]" 1 439 1 78 GLU HB3 1 79 GLY H 4.260 . 4.260 2.973 2.037 4.279 0.019 10 0 "[ . 1 . 2]" 1 440 1 81 VAL HB 1 82 GLU H 3.520 . 3.520 3.603 3.554 3.670 0.150 14 0 "[ . 1 . 2]" 1 441 1 82 GLU HB2 1 83 GLY H 4.230 . 4.230 3.745 1.821 4.306 0.076 19 0 "[ . 1 . 2]" 1 442 1 82 GLU HB3 1 83 GLY H 4.230 . 4.230 3.204 1.769 4.151 . 0 0 "[ . 1 . 2]" 1 443 1 91 LEU HB2 1 92 THR H 5.500 . 5.500 3.425 2.215 4.223 . 0 0 "[ . 1 . 2]" 1 444 1 95 GLY HA3 1 96 LYS H 3.450 . 3.450 2.441 2.129 2.881 . 0 0 "[ . 1 . 2]" 1 445 1 108 GLU HB2 1 109 ILE H 4.910 . 4.910 4.294 3.505 4.583 . 0 0 "[ . 1 . 2]" 1 446 1 108 GLU HB3 1 109 ILE H 4.910 . 4.910 4.282 3.755 4.633 . 0 0 "[ . 1 . 2]" 1 447 1 118 LYS HB2 1 119 TRP H 4.380 . 4.380 3.784 2.881 4.108 . 0 0 "[ . 1 . 2]" 1 448 1 118 LYS HB3 1 119 TRP H 4.850 . 4.850 2.895 2.277 4.108 . 0 0 "[ . 1 . 2]" 1 449 1 122 ASP HB3 1 123 ASN H 4.760 . 4.760 2.718 2.375 3.747 . 0 0 "[ . 1 . 2]" 1 450 1 125 PHE HB3 1 126 ASP H 4.510 . 4.510 2.751 2.049 3.621 . 0 0 "[ . 1 . 2]" 1 451 1 137 ASP HB2 1 138 ASN H 5.280 . 5.280 3.653 2.281 4.473 . 0 0 "[ . 1 . 2]" 1 452 1 144 PRO HB3 1 145 ASP H 4.200 . 4.200 3.684 2.590 4.224 0.024 2 0 "[ . 1 . 2]" 1 453 1 156 HIS HB3 1 157 GLU H 5.500 . 5.500 3.563 1.871 4.503 . 0 0 "[ . 1 . 2]" 1 454 1 25 GLN HA 1 26 THR HB 5.500 . 5.500 4.603 4.155 5.610 0.110 18 0 "[ . 1 . 2]" 1 455 1 33 SER HA 1 36 GLU HB3 5.500 . 5.500 3.728 2.330 5.196 . 0 0 "[ . 1 . 2]" 1 456 1 33 SER HA 1 36 GLU HB2 5.500 . 5.500 3.265 2.790 4.147 . 0 0 "[ . 1 . 2]" 1 457 1 118 LYS HA 1 121 ASP HB2 4.630 . 4.630 3.810 2.929 4.643 0.013 3 0 "[ . 1 . 2]" 1 458 1 118 LYS HA 1 121 ASP HB3 4.630 . 4.630 2.959 2.223 4.180 . 0 0 "[ . 1 . 2]" 1 459 1 61 TYR HA 1 71 VAL HA 5.500 . 5.500 2.546 1.987 2.977 . 0 0 "[ . 1 . 2]" 1 460 1 18 PRO HA 1 91 LEU HA 5.500 . 5.500 2.846 2.377 3.488 . 0 0 "[ . 1 . 2]" 1 461 1 131 ALA HA 1 153 LEU HA 5.500 . 5.500 2.548 1.803 3.024 . 0 0 "[ . 1 . 2]" 1 462 1 19 ALA HA 1 77 VAL H 5.500 . 5.500 2.563 1.913 3.428 . 0 0 "[ . 1 . 2]" 1 463 1 25 GLN HA 1 71 VAL H 5.500 . 5.500 2.912 2.420 3.372 . 0 0 "[ . 1 . 2]" 1 464 1 25 GLN HA 1 70 GLU HA 5.500 . 5.500 2.108 1.425 2.801 . 0 0 "[ . 1 . 2]" 1 465 1 28 MET HA 1 30 GLU H 5.500 . 5.500 4.300 3.258 5.577 0.077 15 0 "[ . 1 . 2]" 1 466 1 40 HIS HB2 1 41 ASP H 4.690 . 4.690 3.726 2.561 4.169 . 0 0 "[ . 1 . 2]" 1 467 1 120 VAL HA 1 124 GLY H 5.500 . 5.500 3.977 3.267 5.206 . 0 0 "[ . 1 . 2]" 1 468 1 58 PHE HA 1 134 ILE HA 5.500 . 5.500 2.206 1.865 2.609 . 0 0 "[ . 1 . 2]" 1 469 1 45 LEU H 1 45 LEU HB3 3.760 . 3.760 2.641 2.358 3.579 . 0 0 "[ . 1 . 2]" 1 470 1 45 LEU H 1 45 LEU HB2 3.760 . 3.760 2.621 2.337 3.658 . 0 0 "[ . 1 . 2]" 1 471 1 45 LEU HB2 1 46 LEU H 4.450 . 4.450 3.799 2.444 4.445 . 0 0 "[ . 1 . 2]" 1 472 1 45 LEU HB3 1 46 LEU H 4.450 . 4.450 2.904 2.176 4.404 . 0 0 "[ . 1 . 2]" 1 473 1 31 LEU HA 1 34 LEU HB2 5.500 . 5.500 3.540 1.984 5.520 0.020 10 0 "[ . 1 . 2]" 1 474 1 31 LEU HA 1 34 LEU HB3 5.500 . 5.500 3.661 2.297 5.272 . 0 0 "[ . 1 . 2]" 1 475 1 116 LEU HA 1 119 TRP HB2 5.500 . 5.500 3.634 2.207 5.441 . 0 0 "[ . 1 . 2]" 1 476 1 116 LEU HA 1 119 TRP HB3 5.500 . 5.500 3.086 2.458 4.108 . 0 0 "[ . 1 . 2]" 1 477 1 10 GLU H 1 10 GLU HG2 5.500 . 5.500 3.789 2.233 5.092 . 0 0 "[ . 1 . 2]" 1 478 1 10 GLU H 1 10 GLU HG3 5.500 . 5.500 3.675 2.598 4.881 . 0 0 "[ . 1 . 2]" 1 479 1 11 LEU H 1 11 LEU HG 5.500 . 5.500 4.181 1.894 4.913 . 0 0 "[ . 1 . 2]" 1 480 1 12 LYS H 1 12 LYS HG2 5.500 . 5.500 3.494 2.196 4.911 . 0 0 "[ . 1 . 2]" 1 481 1 12 LYS H 1 12 LYS HG3 5.500 . 5.500 3.933 2.657 4.724 . 0 0 "[ . 1 . 2]" 1 482 1 13 GLU H 1 13 GLU HG2 5.500 . 5.500 3.199 1.867 4.460 . 0 0 "[ . 1 . 2]" 1 483 1 13 GLU H 1 13 GLU HG3 5.500 . 5.500 3.222 1.903 4.601 . 0 0 "[ . 1 . 2]" 1 484 1 14 LEU H 1 14 LEU HG 5.500 . 5.500 3.736 2.144 4.900 . 0 0 "[ . 1 . 2]" 1 485 1 25 GLN H 1 25 GLN HG2 5.500 . 5.500 2.894 1.795 3.924 . 0 0 "[ . 1 . 2]" 1 486 1 28 MET H 1 28 MET HG2 5.500 . 5.500 3.581 1.817 4.946 . 0 0 "[ . 1 . 2]" 1 487 1 28 MET H 1 28 MET HG3 5.500 . 5.500 3.559 2.204 4.618 . 0 0 "[ . 1 . 2]" 1 488 1 30 GLU H 1 30 GLU HG2 5.500 . 5.500 4.252 3.048 4.687 . 0 0 "[ . 1 . 2]" 1 489 1 30 GLU H 1 30 GLU HG3 5.500 . 5.500 4.351 2.202 5.086 . 0 0 "[ . 1 . 2]" 1 490 1 36 GLU H 1 36 GLU HG2 5.500 . 5.500 3.898 2.215 4.591 . 0 0 "[ . 1 . 2]" 1 491 1 36 GLU H 1 36 GLU HG3 5.500 . 5.500 3.760 2.176 4.581 . 0 0 "[ . 1 . 2]" 1 492 1 46 LEU H 1 46 LEU HG 5.220 . 5.220 3.924 2.415 4.598 . 0 0 "[ . 1 . 2]" 1 493 1 49 GLN H 1 49 GLN HG2 5.500 . 5.500 4.210 3.396 5.179 . 0 0 "[ . 1 . 2]" 1 494 1 49 GLN H 1 49 GLN HG3 5.500 . 5.500 3.767 2.326 4.618 . 0 0 "[ . 1 . 2]" 1 495 1 51 LYS H 1 51 LYS HG2 5.500 . 5.500 3.352 2.313 4.224 . 0 0 "[ . 1 . 2]" 1 496 1 51 LYS H 1 51 LYS HG3 5.500 . 5.500 3.443 2.899 4.304 . 0 0 "[ . 1 . 2]" 1 497 1 51 LYS HA 1 51 LYS HD2 5.500 . 5.500 4.557 2.926 5.523 0.023 8 0 "[ . 1 . 2]" 1 498 1 51 LYS HA 1 51 LYS HD3 5.500 . 5.500 4.210 1.963 5.503 0.003 1 0 "[ . 1 . 2]" 1 499 1 51 LYS HA 1 51 LYS HE2 5.160 . 5.160 4.604 3.572 5.289 0.129 20 0 "[ . 1 . 2]" 1 500 1 51 LYS HB2 1 51 LYS HE2 5.500 . 5.500 3.936 2.867 4.914 . 0 0 "[ . 1 . 2]" 1 501 1 51 LYS HB3 1 51 LYS HE2 5.500 . 5.500 3.329 1.829 4.637 . 0 0 "[ . 1 . 2]" 1 502 1 51 LYS HA 1 51 LYS HE3 5.160 . 5.160 4.774 3.647 5.270 0.110 17 0 "[ . 1 . 2]" 1 503 1 51 LYS HB2 1 51 LYS HE3 5.500 . 5.500 4.078 2.172 5.506 0.006 9 0 "[ . 1 . 2]" 1 504 1 51 LYS HB3 1 51 LYS HE3 5.500 . 5.500 3.525 1.807 4.762 . 0 0 "[ . 1 . 2]" 1 505 1 78 GLU H 1 78 GLU HG2 5.500 . 5.500 4.083 3.137 4.627 . 0 0 "[ . 1 . 2]" 1 506 1 78 GLU H 1 78 GLU HG3 5.500 . 5.500 3.645 1.707 4.628 . 0 0 "[ . 1 . 2]" 1 507 1 82 GLU H 1 82 GLU HG2 5.500 . 5.500 3.932 2.027 4.790 . 0 0 "[ . 1 . 2]" 1 508 1 82 GLU H 1 82 GLU HG3 5.500 . 5.500 4.140 2.782 4.948 . 0 0 "[ . 1 . 2]" 1 509 1 96 LYS H 1 96 LYS HG2 5.500 . 5.500 3.463 2.142 4.666 . 0 0 "[ . 1 . 2]" 1 510 1 96 LYS H 1 96 LYS HG3 5.500 . 5.500 3.604 1.681 4.495 . 0 0 "[ . 1 . 2]" 1 511 1 96 LYS H 1 96 LYS HD2 5.500 . 5.500 4.048 2.066 5.549 0.049 17 0 "[ . 1 . 2]" 1 512 1 96 LYS HA 1 96 LYS HD2 5.500 . 5.500 3.489 2.494 5.506 0.006 3 0 "[ . 1 . 2]" 1 513 1 96 LYS H 1 96 LYS HD3 5.500 . 5.500 3.913 2.408 5.322 . 0 0 "[ . 1 . 2]" 1 514 1 96 LYS HA 1 96 LYS HD3 5.500 . 5.500 3.508 2.039 5.209 . 0 0 "[ . 1 . 2]" 1 515 1 96 LYS HA 1 96 LYS HE2 5.500 . 5.500 4.714 3.683 5.810 0.310 7 0 "[ . 1 . 2]" 1 516 1 96 LYS HB2 1 96 LYS HE2 5.500 . 5.500 4.298 1.834 5.508 0.008 13 0 "[ . 1 . 2]" 1 517 1 96 LYS HB3 1 96 LYS HE2 5.500 . 5.500 4.322 1.939 5.449 . 0 0 "[ . 1 . 2]" 1 518 1 96 LYS HA 1 96 LYS HE3 5.500 . 5.500 5.004 4.353 5.568 0.068 5 0 "[ . 1 . 2]" 1 519 1 96 LYS HB2 1 96 LYS HE3 5.500 . 5.500 4.452 2.730 5.504 0.004 18 0 "[ . 1 . 2]" 1 520 1 96 LYS HB3 1 96 LYS HE3 5.500 . 5.500 4.438 2.937 5.344 . 0 0 "[ . 1 . 2]" 1 521 1 108 GLU H 1 108 GLU HG2 5.500 . 5.500 3.500 1.873 4.628 . 0 0 "[ . 1 . 2]" 1 522 1 108 GLU H 1 108 GLU HG3 5.500 . 5.500 3.102 2.376 4.571 . 0 0 "[ . 1 . 2]" 1 523 1 116 LEU H 1 116 LEU HG 5.500 . 5.500 3.217 1.988 4.531 . 0 0 "[ . 1 . 2]" 1 524 1 117 MET H 1 117 MET HG2 5.500 . 5.500 3.724 2.185 4.611 . 0 0 "[ . 1 . 2]" 1 525 1 117 MET H 1 117 MET HG3 5.500 . 5.500 3.939 2.156 4.563 . 0 0 "[ . 1 . 2]" 1 526 1 118 LYS H 1 118 LYS HG2 5.500 . 5.500 4.104 2.469 4.643 . 0 0 "[ . 1 . 2]" 1 527 1 118 LYS H 1 118 LYS HG3 5.500 . 5.500 4.199 2.259 4.632 . 0 0 "[ . 1 . 2]" 1 528 1 118 LYS HA 1 118 LYS HD2 5.500 . 5.500 4.090 2.436 4.793 . 0 0 "[ . 1 . 2]" 1 529 1 118 LYS HA 1 118 LYS HD3 5.500 . 5.500 4.076 2.037 5.497 . 0 0 "[ . 1 . 2]" 1 530 1 141 GLU H 1 141 GLU HG2 5.500 . 5.500 3.539 2.060 4.714 . 0 0 "[ . 1 . 2]" 1 531 1 141 GLU H 1 141 GLU HG3 5.500 . 5.500 4.004 1.959 5.016 . 0 0 "[ . 1 . 2]" 1 532 1 146 GLN H 1 146 GLN HG2 5.500 . 5.500 3.920 2.453 4.648 . 0 0 "[ . 1 . 2]" 1 533 1 146 GLN H 1 146 GLN HG3 5.500 . 5.500 3.331 1.909 4.750 . 0 0 "[ . 1 . 2]" 1 534 1 147 LEU H 1 147 LEU HG 5.500 . 5.500 3.282 1.853 4.617 . 0 0 "[ . 1 . 2]" 1 535 1 154 MET H 1 154 MET HG2 5.500 . 5.500 3.558 2.232 4.469 . 0 0 "[ . 1 . 2]" 1 536 1 154 MET H 1 154 MET HG3 5.500 . 5.500 3.366 1.953 4.516 . 0 0 "[ . 1 . 2]" 1 537 1 157 GLU H 1 157 GLU HG2 5.500 . 5.500 4.188 1.816 5.307 . 0 0 "[ . 1 . 2]" 1 538 1 157 GLU H 1 157 GLU HG3 5.500 . 5.500 3.889 2.177 5.184 . 0 0 "[ . 1 . 2]" 1 539 1 11 LEU HG 1 12 LYS H 5.500 . 5.500 3.942 2.714 5.212 . 0 0 "[ . 1 . 2]" 1 540 1 13 GLU HG2 1 14 LEU H 5.500 . 5.500 4.675 3.282 5.324 . 0 0 "[ . 1 . 2]" 1 541 1 13 GLU HG3 1 14 LEU H 5.500 . 5.500 4.400 3.248 5.556 0.056 15 0 "[ . 1 . 2]" 1 542 1 23 ARG HG2 1 24 THR H 5.500 . 5.500 4.806 3.357 5.510 0.010 12 0 "[ . 1 . 2]" 1 543 1 23 ARG HG3 1 24 THR H 5.500 . 5.500 4.751 2.901 5.519 0.019 2 0 "[ . 1 . 2]" 1 544 1 25 GLN HG2 1 26 THR H 5.500 . 5.500 4.766 4.168 5.651 0.151 6 0 "[ . 1 . 2]" 1 545 1 36 GLU HG2 1 37 ALA H 5.500 . 5.500 4.511 3.409 5.207 . 0 0 "[ . 1 . 2]" 1 546 1 36 GLU HG3 1 37 ALA H 5.500 . 5.500 4.495 3.417 5.305 . 0 0 "[ . 1 . 2]" 1 547 1 39 TYR QD 1 40 HIS H 7.630 . 7.630 3.779 3.167 4.513 . 0 0 "[ . 1 . 2]" 1 548 1 51 LYS HG2 1 52 SER H 5.500 . 5.500 4.122 2.856 4.931 . 0 0 "[ . 1 . 2]" 1 549 1 51 LYS HG3 1 52 SER H 5.500 . 5.500 4.355 3.380 4.928 . 0 0 "[ . 1 . 2]" 1 550 1 69 PHE QD 1 70 GLU H 7.630 . 7.630 3.685 2.603 4.364 . 0 0 "[ . 1 . 2]" 1 551 1 70 GLU HG2 1 71 VAL H 5.500 . 5.500 4.126 3.318 5.192 . 0 0 "[ . 1 . 2]" 1 552 1 70 GLU HG3 1 71 VAL H 5.500 . 5.500 3.545 2.100 5.258 . 0 0 "[ . 1 . 2]" 1 553 1 78 GLU HG2 1 79 GLY H 5.500 . 5.500 4.298 3.053 5.037 . 0 0 "[ . 1 . 2]" 1 554 1 78 GLU HG3 1 79 GLY H 5.500 . 5.500 4.211 3.162 5.171 . 0 0 "[ . 1 . 2]" 1 555 1 82 GLU HG2 1 83 GLY H 5.500 . 5.500 3.715 1.877 5.032 . 0 0 "[ . 1 . 2]" 1 556 1 82 GLU HG3 1 83 GLY H 5.500 . 5.500 3.775 2.196 5.476 . 0 0 "[ . 1 . 2]" 1 557 1 96 LYS HG3 1 97 ALA H 5.500 . 5.500 4.667 3.154 5.550 0.050 14 0 "[ . 1 . 2]" 1 558 1 102 TYR QD 1 103 ILE H 7.630 . 7.630 3.779 3.067 4.524 . 0 0 "[ . 1 . 2]" 1 559 1 108 GLU HG2 1 109 ILE H 5.500 . 5.500 4.871 4.241 5.609 0.109 10 0 "[ . 1 . 2]" 1 560 1 108 GLU HG3 1 109 ILE H 5.500 . 5.500 4.901 3.918 5.551 0.051 5 0 "[ . 1 . 2]" 1 561 1 116 LEU HG 1 117 MET H 5.500 . 5.500 4.616 2.705 5.383 . 0 0 "[ . 1 . 2]" 1 562 1 132 TYR QD 1 133 GLU H 7.630 . 7.630 3.931 3.434 4.721 . 0 0 "[ . 1 . 2]" 1 563 1 157 GLU HG2 1 158 SER H 5.500 . 5.500 4.038 1.446 5.411 . 0 0 "[ . 1 . 2]" 1 564 1 157 GLU HG3 1 158 SER H 5.500 . 5.500 4.095 2.279 4.997 . 0 0 "[ . 1 . 2]" 1 565 1 2 ASP HB2 1 3 PHE HB2 6.950 . 6.950 5.437 3.964 6.747 . 0 0 "[ . 1 . 2]" 1 566 1 2 ASP HB2 1 3 PHE HB3 6.950 . 6.950 5.702 3.857 7.047 0.097 16 0 "[ . 1 . 2]" 1 567 1 22 ILE HG12 1 87 VAL HA 5.500 . 5.500 3.949 2.287 5.325 . 0 0 "[ . 1 . 2]" 1 568 1 22 ILE HG13 1 87 VAL HA 5.500 . 5.500 3.614 1.763 5.296 . 0 0 "[ . 1 . 2]" 1 569 1 53 PRO HB3 1 75 PHE HB2 7.260 . 7.260 4.109 2.677 5.468 . 0 0 "[ . 1 . 2]" 1 570 1 61 TYR QD 1 71 VAL HB 7.630 . 7.630 4.211 3.057 5.358 . 0 0 "[ . 1 . 2]" 1 571 1 61 TYR HA 1 71 VAL HB 5.500 . 5.500 4.297 3.508 5.021 . 0 0 "[ . 1 . 2]" 1 572 1 53 PRO HB2 1 75 PHE HB2 7.260 . 7.260 5.312 3.617 7.093 . 0 0 "[ . 1 . 2]" 1 573 1 16 PRO QB 1 94 SER HB2 6.380 . 6.380 4.785 2.441 5.751 . 0 0 "[ . 1 . 2]" 1 574 1 16 PRO QB 1 94 SER HB3 6.380 . 6.380 4.335 3.006 5.662 . 0 0 "[ . 1 . 2]" 1 575 1 109 ILE HG12 1 113 TYR QD 7.630 . 7.630 4.428 1.912 6.505 . 0 0 "[ . 1 . 2]" 1 576 1 10 GLU HA 1 119 TRP HZ2 5.500 . 5.500 3.881 2.898 5.438 . 0 0 "[ . 1 . 2]" 1 577 1 125 PHE HB3 1 155 LEU HG 5.500 . 5.500 4.230 2.569 5.524 0.024 12 0 "[ . 1 . 2]" 1 578 1 102 TYR HA 1 149 THR HB 5.500 . 5.500 5.102 4.200 5.805 0.305 15 0 "[ . 1 . 2]" 1 579 1 11 LEU HB2 1 119 TRP HH2 5.500 . 5.500 2.265 1.364 4.724 . 0 0 "[ . 1 . 2]" 1 580 1 11 LEU HB3 1 119 TRP HH2 5.500 . 5.500 3.171 2.200 3.967 . 0 0 "[ . 1 . 2]" 1 581 1 11 LEU HG 1 119 TRP HH2 5.500 . 5.500 3.950 2.474 5.539 0.039 14 0 "[ . 1 . 2]" 1 582 1 35 PHE HZ 1 73 PHE QD 7.630 . 7.630 5.048 2.869 6.276 . 0 0 "[ . 1 . 2]" 1 583 1 58 PHE HB2 1 132 TYR QE 7.630 . 7.630 4.220 2.468 6.826 . 0 0 "[ . 1 . 2]" 1 584 1 69 PHE QD 1 71 VAL HB 7.630 . 7.630 5.319 4.506 6.496 . 0 0 "[ . 1 . 2]" 1 585 1 7 PHE QE 1 102 TYR QD 9.760 . 9.760 4.477 2.070 7.770 . 0 0 "[ . 1 . 2]" 1 586 1 7 PHE QE 1 102 TYR QE 9.770 . 9.770 4.930 1.929 7.599 . 0 0 "[ . 1 . 2]" 1 587 1 109 ILE HG13 1 113 TYR QD 7.630 . 7.630 4.976 3.033 6.190 . 0 0 "[ . 1 . 2]" 1 588 1 110 GLU HA 1 113 TYR QD 7.630 . 7.630 2.903 1.208 4.410 . 0 0 "[ . 1 . 2]" 1 589 1 7 PHE QD 1 112 VAL HA 7.630 . 7.630 3.694 2.485 5.195 . 0 0 "[ . 1 . 2]" 1 590 1 102 TYR QD 1 112 VAL HB 7.630 . 7.630 3.340 1.811 5.275 . 0 0 "[ . 1 . 2]" 1 591 1 119 TRP HE3 1 120 VAL HA 5.500 . 5.500 3.149 2.394 4.063 . 0 0 "[ . 1 . 2]" 1 592 1 120 VAL HA 1 125 PHE QD 7.630 . 7.630 4.521 2.045 6.399 . 0 0 "[ . 1 . 2]" 1 593 1 58 PHE QD 1 132 TYR QE 9.760 . 9.760 3.834 2.059 5.532 . 0 0 "[ . 1 . 2]" 1 594 1 135 TYR QE 1 149 THR HB 7.630 . 7.630 5.732 4.529 7.048 . 0 0 "[ . 1 . 2]" 1 595 1 102 TYR QD 1 149 THR HB 7.630 . 7.630 3.268 2.175 4.249 . 0 0 "[ . 1 . 2]" 1 596 1 11 LEU H 1 119 TRP HZ2 5.500 . 5.500 3.650 2.454 5.105 . 0 0 "[ . 1 . 2]" 1 597 1 11 LEU H 1 119 TRP HH2 5.500 . 5.500 3.602 2.575 4.906 . 0 0 "[ . 1 . 2]" 1 598 1 12 LYS HG2 1 99 SER QB 6.380 . 6.380 3.621 2.223 5.446 . 0 0 "[ . 1 . 2]" 1 599 1 12 LYS HG3 1 99 SER QB 6.380 . 6.380 3.959 1.927 5.290 . 0 0 "[ . 1 . 2]" 1 600 1 35 PHE QE 1 73 PHE QE 9.760 . 9.760 4.778 3.562 6.654 . 0 0 "[ . 1 . 2]" 1 601 1 45 LEU HB2 1 84 SER HB3 7.260 . 7.260 5.031 3.577 6.399 . 0 0 "[ . 1 . 2]" 1 602 1 45 LEU HB3 1 84 SER HB3 7.260 . 7.260 6.007 3.623 7.332 0.072 8 0 "[ . 1 . 2]" 1 603 1 17 VAL HB 1 18 PRO HD3 5.500 . 5.500 4.618 4.144 5.287 . 0 0 "[ . 1 . 2]" 1 604 1 17 VAL HB 1 18 PRO HD2 5.500 . 5.500 4.197 3.572 5.057 . 0 0 "[ . 1 . 2]" 1 605 1 58 PHE HB3 1 132 TYR QE 7.630 . 7.630 4.012 2.032 6.036 . 0 0 "[ . 1 . 2]" 1 606 1 11 LEU HB3 1 119 TRP HZ2 5.500 . 5.500 4.134 2.977 5.373 . 0 0 "[ . 1 . 2]" 1 607 1 120 VAL HA 1 125 PHE HB2 5.500 . 5.500 4.266 3.151 5.588 0.088 19 0 "[ . 1 . 2]" 1 608 1 120 VAL HA 1 125 PHE HB3 5.500 . 5.500 5.059 4.378 5.663 0.163 20 0 "[ . 1 . 2]" 1 609 1 134 ILE HB 1 149 THR HA 5.500 . 5.500 5.093 3.857 5.582 0.082 9 0 "[ . 1 . 2]" 1 610 1 131 ALA HA 1 153 LEU HB3 5.500 . 5.500 4.741 2.948 5.585 0.085 6 0 "[ . 1 . 2]" 1 611 1 131 ALA HA 1 153 LEU HB2 5.500 . 5.500 5.002 3.363 5.661 0.161 20 0 "[ . 1 . 2]" 1 612 1 39 TYR HB2 1 75 PHE QE 7.630 . 7.630 5.090 3.548 7.081 . 0 0 "[ . 1 . 2]" 1 613 1 39 TYR HB3 1 75 PHE QE 7.630 . 7.630 5.550 3.744 6.404 . 0 0 "[ . 1 . 2]" 1 614 1 117 MET H 1 117 MET ME 6.520 . 6.520 4.281 2.880 5.660 . 0 0 "[ . 1 . 2]" 1 615 1 8 VAL MG1 1 9 CYS H 6.520 . 6.520 3.581 2.672 4.238 . 0 0 "[ . 1 . 2]" 1 616 1 11 LEU MD1 1 12 LYS H 6.520 . 6.520 3.328 2.413 5.212 . 0 0 "[ . 1 . 2]" 1 617 1 11 LEU MD2 1 12 LYS H 6.520 . 6.520 3.955 1.982 5.025 . 0 0 "[ . 1 . 2]" 1 618 1 14 LEU MD1 1 15 ALA H 6.520 . 6.520 3.792 2.079 5.321 . 0 0 "[ . 1 . 2]" 1 619 1 14 LEU MD2 1 15 ALA H 6.520 . 6.520 4.111 3.276 4.839 . 0 0 "[ . 1 . 2]" 1 620 1 20 LEU MD1 1 21 LEU H 6.520 . 6.520 3.725 2.284 5.121 . 0 0 "[ . 1 . 2]" 1 621 1 20 LEU MD2 1 21 LEU H 6.520 . 6.520 4.081 2.496 5.017 . 0 0 "[ . 1 . 2]" 1 622 1 22 ILE MG 1 23 ARG H 6.520 . 6.520 3.227 1.650 4.226 . 0 0 "[ . 1 . 2]" 1 623 1 24 THR MG 1 25 GLN H 6.520 . 6.520 3.083 2.037 4.285 . 0 0 "[ . 1 . 2]" 1 624 1 26 THR MG 1 27 ALA H 6.520 . 6.520 3.338 2.359 4.281 . 0 0 "[ . 1 . 2]" 1 625 1 68 THR MG 1 69 PHE H 6.520 . 6.520 2.621 1.929 3.498 . 0 0 "[ . 1 . 2]" 1 626 1 77 VAL MG1 1 78 GLU H 6.520 . 6.520 3.460 1.522 3.748 . 0 0 "[ . 1 . 2]" 1 627 1 77 VAL MG2 1 78 GLU H 6.520 . 6.520 3.318 2.775 3.930 . 0 0 "[ . 1 . 2]" 1 628 1 81 VAL MG1 1 82 GLU H 6.520 . 6.520 2.031 1.865 2.203 . 0 0 "[ . 1 . 2]" 1 629 1 81 VAL MG2 1 82 GLU H 6.520 . 6.520 4.001 3.862 4.070 . 0 0 "[ . 1 . 2]" 1 630 1 87 VAL MG1 1 88 VAL H 6.520 . 6.520 3.290 2.362 4.233 . 0 0 "[ . 1 . 2]" 1 631 1 87 VAL MG2 1 88 VAL H 6.520 . 6.520 3.758 2.260 4.442 . 0 0 "[ . 1 . 2]" 1 632 1 88 VAL MG1 1 89 THR H 6.520 . 6.520 3.635 3.393 3.803 . 0 0 "[ . 1 . 2]" 1 633 1 88 VAL MG2 1 89 THR H 6.520 . 6.520 3.569 2.955 3.955 . 0 0 "[ . 1 . 2]" 1 634 1 89 THR MG 1 90 GLY H 6.520 . 6.520 3.099 1.980 3.837 . 0 0 "[ . 1 . 2]" 1 635 1 91 LEU MD2 1 92 THR H 6.490 . 6.490 4.089 3.040 4.597 . 0 0 "[ . 1 . 2]" 1 636 1 101 LEU MD2 1 102 TYR H 6.180 . 6.180 4.417 2.647 5.260 . 0 0 "[ . 1 . 2]" 1 637 1 103 ILE MG 1 104 GLY H 6.520 . 6.520 3.124 2.515 3.981 . 0 0 "[ . 1 . 2]" 1 638 1 112 VAL MG1 1 113 TYR H 6.520 . 6.520 2.578 2.195 3.779 . 0 0 "[ . 1 . 2]" 1 639 1 116 LEU MD2 1 117 MET H 6.520 . 6.520 4.490 3.950 5.010 . 0 0 "[ . 1 . 2]" 1 640 1 120 VAL MG1 1 121 ASP H 6.520 . 6.520 2.248 1.954 3.203 . 0 0 "[ . 1 . 2]" 1 641 1 120 VAL MG2 1 121 ASP H 6.520 . 6.520 3.702 3.473 4.041 . 0 0 "[ . 1 . 2]" 1 642 1 127 LEU MD2 1 128 SER H 6.520 . 6.520 4.210 2.978 5.033 . 0 0 "[ . 1 . 2]" 1 643 1 134 ILE MG 1 135 TYR H 6.520 . 6.520 3.339 2.568 4.099 . 0 0 "[ . 1 . 2]" 1 644 1 134 ILE MD 1 135 TYR H 6.520 . 6.520 4.719 3.703 5.365 . 0 0 "[ . 1 . 2]" 1 645 1 147 LEU MD1 1 148 ARG H 6.520 . 6.520 4.258 2.282 5.525 . 0 0 "[ . 1 . 2]" 1 646 1 149 THR MG 1 150 ARG H 6.520 . 6.520 2.954 2.375 3.349 . 0 0 "[ . 1 . 2]" 1 647 1 151 VAL MG2 1 152 SER H 6.520 . 6.520 2.684 2.252 2.993 . 0 0 "[ . 1 . 2]" 1 648 1 154 MET ME 1 155 LEU H 6.520 . 6.520 4.961 2.754 5.512 . 0 0 "[ . 1 . 2]" 1 649 1 155 LEU MD1 1 156 HIS H 6.520 . 6.520 4.245 1.710 5.485 . 0 0 "[ . 1 . 2]" 1 650 1 11 LEU MD1 1 12 LYS HA 6.520 . 6.520 4.380 2.976 5.610 . 0 0 "[ . 1 . 2]" 1 651 1 11 LEU MD2 1 12 LYS HA 6.520 . 6.520 4.759 2.990 5.552 . 0 0 "[ . 1 . 2]" 1 652 1 12 LYS HB2 1 14 LEU MD1 9.610 . 9.610 5.590 4.077 8.024 . 0 0 "[ . 1 . 2]" 1 653 1 12 LYS HB3 1 14 LEU MD1 9.610 . 9.610 5.509 3.473 7.335 . 0 0 "[ . 1 . 2]" 1 654 1 98 ALA MB 1 116 LEU MD1 7.540 . 7.540 3.221 1.558 4.890 . 0 0 "[ . 1 . 2]" 1 655 1 100 SER HB3 1 116 LEU MD2 6.520 . 6.520 3.193 2.328 5.397 . 0 0 "[ . 1 . 2]" 1 656 1 100 SER HB2 1 116 LEU MD2 6.520 . 6.520 2.731 1.785 4.876 . 0 0 "[ . 1 . 2]" 1 657 1 9 CYS HA 1 116 LEU MD2 6.520 . 6.520 3.940 2.662 5.351 . 0 0 "[ . 1 . 2]" 1 658 1 22 ILE MG 1 24 THR HA 6.520 . 6.520 4.644 3.398 5.360 . 0 0 "[ . 1 . 2]" 1 659 1 22 ILE MG 1 86 ARG HD2 6.520 . 6.520 4.203 2.345 5.458 . 0 0 "[ . 1 . 2]" 1 660 1 22 ILE MG 1 86 ARG HD3 6.520 . 6.520 4.351 3.186 5.462 . 0 0 "[ . 1 . 2]" 1 661 1 22 ILE HG12 1 87 VAL MG2 9.620 . 9.620 3.711 2.020 5.568 . 0 0 "[ . 1 . 2]" 1 662 1 22 ILE HG13 1 87 VAL MG2 9.620 . 9.620 3.577 2.010 5.156 . 0 0 "[ . 1 . 2]" 1 663 1 24 THR HB 1 34 LEU MD1 6.520 . 6.520 3.934 2.421 4.967 . 0 0 "[ . 1 . 2]" 1 664 1 24 THR MG 1 71 VAL HB 6.520 . 6.520 4.965 3.792 5.537 . 0 0 "[ . 1 . 2]" 1 665 1 24 THR MG 1 34 LEU HG 6.520 . 6.520 3.347 2.191 4.421 . 0 0 "[ . 1 . 2]" 1 666 1 24 THR MG 1 34 LEU MD2 7.540 . 7.540 2.571 1.564 4.192 . 0 0 "[ . 1 . 2]" 1 667 1 22 ILE MG 1 24 THR MG 7.540 . 7.540 3.796 1.896 4.724 . 0 0 "[ . 1 . 2]" 1 668 1 25 GLN HG2 1 68 THR MG 6.520 . 6.520 4.076 2.278 5.270 . 0 0 "[ . 1 . 2]" 1 669 1 24 THR MG 1 26 THR HB 6.520 . 6.520 4.140 3.150 5.375 . 0 0 "[ . 1 . 2]" 1 670 1 25 GLN HA 1 26 THR MG 6.520 . 6.520 3.844 3.377 5.360 . 0 0 "[ . 1 . 2]" 1 671 1 109 ILE HA 1 112 VAL MG1 6.520 . 6.520 2.982 2.126 4.270 . 0 0 "[ . 1 . 2]" 1 672 1 26 THR HB 1 34 LEU MD2 6.520 . 6.520 3.866 1.688 5.439 . 0 0 "[ . 1 . 2]" 1 673 1 26 THR HB 1 34 LEU MD1 6.520 . 6.520 4.093 1.970 5.366 . 0 0 "[ . 1 . 2]" 1 674 1 34 LEU HA 1 37 ALA MB 6.520 . 6.520 3.243 2.489 4.026 . 0 0 "[ . 1 . 2]" 1 675 1 46 LEU MD2 1 77 VAL HB 6.520 . 6.520 4.821 2.254 5.328 . 0 0 "[ . 1 . 2]" 1 676 1 46 LEU MD2 1 53 PRO HA 6.520 . 6.520 4.608 2.932 5.410 . 0 0 "[ . 1 . 2]" 1 677 1 46 LEU MD2 1 52 SER HA 6.520 . 6.520 4.515 2.527 5.485 . 0 0 "[ . 1 . 2]" 1 678 1 46 LEU MD1 1 52 SER HA 6.520 . 6.520 3.393 1.888 5.304 . 0 0 "[ . 1 . 2]" 1 679 1 46 LEU MD1 1 51 LYS HB2 6.520 . 6.520 3.564 2.059 5.031 . 0 0 "[ . 1 . 2]" 1 680 1 46 LEU MD1 1 51 LYS HB3 6.520 . 6.520 4.126 2.695 5.223 . 0 0 "[ . 1 . 2]" 1 681 1 51 LYS HD2 1 81 VAL MG2 8.170 . 8.170 3.360 1.969 6.073 . 0 0 "[ . 1 . 2]" 1 682 1 51 LYS HD3 1 81 VAL MG1 8.170 . 8.170 4.597 2.866 6.747 . 0 0 "[ . 1 . 2]" 1 683 1 51 LYS HE3 1 81 VAL MG2 8.280 . 8.280 4.219 2.970 5.897 . 0 0 "[ . 1 . 2]" 1 684 1 51 LYS HE2 1 81 VAL MG2 8.280 . 8.280 4.088 2.434 5.109 . 0 0 "[ . 1 . 2]" 1 685 1 58 PHE QD 1 134 ILE MG 8.650 . 8.650 3.164 1.674 5.682 . 0 0 "[ . 1 . 2]" 1 686 1 25 GLN HG3 1 68 THR MG 6.520 . 6.520 4.061 2.836 5.339 . 0 0 "[ . 1 . 2]" 1 687 1 25 GLN QB 1 68 THR MG 7.400 . 7.400 2.486 1.835 3.330 . 0 0 "[ . 1 . 2]" 1 688 1 76 PRO HA 1 77 VAL MG1 6.520 . 6.520 3.707 3.412 5.296 . 0 0 "[ . 1 . 2]" 1 689 1 76 PRO HA 1 77 VAL MG2 6.520 . 6.520 3.613 3.093 3.861 . 0 0 "[ . 1 . 2]" 1 690 1 18 PRO HB2 1 77 VAL MG2 6.520 . 6.520 2.839 1.945 4.267 . 0 0 "[ . 1 . 2]" 1 691 1 18 PRO HB3 1 77 VAL MG2 6.520 . 6.520 3.868 2.905 5.393 . 0 0 "[ . 1 . 2]" 1 692 1 20 LEU HG 1 77 VAL MG2 6.520 . 6.520 4.343 2.790 5.364 . 0 0 "[ . 1 . 2]" 1 693 1 19 ALA MB 1 77 VAL MG2 7.540 . 7.540 4.024 3.357 4.997 . 0 0 "[ . 1 . 2]" 1 694 1 77 VAL MG1 1 81 VAL HB 6.520 . 6.520 2.985 1.745 4.231 . 0 0 "[ . 1 . 2]" 1 695 1 54 SER QB 1 77 VAL MG1 7.400 . 7.400 4.791 3.370 5.521 . 0 0 "[ . 1 . 2]" 1 696 1 53 PRO HA 1 77 VAL MG1 5.870 . 5.870 3.421 2.218 4.675 . 0 0 "[ . 1 . 2]" 1 697 1 46 LEU MD2 1 77 VAL MG1 7.540 . 7.540 3.119 2.209 4.138 . 0 0 "[ . 1 . 2]" 1 698 1 77 VAL MG2 1 81 VAL HB 6.020 . 6.020 2.687 1.608 3.528 . 0 0 "[ . 1 . 2]" 1 699 1 51 LYS HE2 1 81 VAL MG1 8.280 . 8.280 5.573 4.278 6.807 . 0 0 "[ . 1 . 2]" 1 700 1 49 GLN HB2 1 81 VAL MG1 9.620 . 9.620 4.401 3.555 5.476 . 0 0 "[ . 1 . 2]" 1 701 1 49 GLN HB3 1 81 VAL MG1 9.620 . 9.620 4.545 3.463 5.918 . 0 0 "[ . 1 . 2]" 1 702 1 20 LEU MD1 1 83 GLY HA2 8.280 . 8.280 3.514 1.736 4.739 . 0 0 "[ . 1 . 2]" 1 703 1 20 LEU MD2 1 83 GLY HA2 8.280 . 8.280 3.459 2.260 5.089 . 0 0 "[ . 1 . 2]" 1 704 1 20 LEU MD2 1 83 GLY HA3 8.280 . 8.280 4.249 2.906 6.383 . 0 0 "[ . 1 . 2]" 1 705 1 22 ILE MD 1 87 VAL HA 6.520 . 6.520 3.185 1.746 4.411 . 0 0 "[ . 1 . 2]" 1 706 1 87 VAL HA 1 88 VAL MG2 6.520 . 6.520 3.689 3.523 3.843 . 0 0 "[ . 1 . 2]" 1 707 1 20 LEU HA 1 88 VAL MG2 6.520 . 6.520 4.643 4.275 5.199 . 0 0 "[ . 1 . 2]" 1 708 1 82 GLU HA 1 89 THR MG 6.120 . 6.120 3.384 2.092 4.841 . 0 0 "[ . 1 . 2]" 1 709 1 83 GLY HA2 1 89 THR MG 6.520 . 6.520 4.429 3.051 5.382 . 0 0 "[ . 1 . 2]" 1 710 1 83 GLY HA3 1 89 THR MG 6.520 . 6.520 4.047 2.858 5.375 . 0 0 "[ . 1 . 2]" 1 711 1 20 LEU HA 1 89 THR MG 6.520 . 6.520 3.862 2.700 4.917 . 0 0 "[ . 1 . 2]" 1 712 1 18 PRO HD3 1 91 LEU MD2 9.610 . 9.610 4.606 3.313 6.560 . 0 0 "[ . 1 . 2]" 1 713 1 97 ALA MB 1 98 ALA HA 6.520 . 6.520 4.256 4.136 4.371 . 0 0 "[ . 1 . 2]" 1 714 1 97 ALA MB 1 152 SER HB3 6.520 . 6.520 3.233 1.732 4.332 . 0 0 "[ . 1 . 2]" 1 715 1 97 ALA MB 1 99 SER QB 7.400 . 7.400 4.123 3.630 4.890 . 0 0 "[ . 1 . 2]" 1 716 1 97 ALA HA 1 98 ALA MB 6.520 . 6.520 4.038 3.981 4.148 . 0 0 "[ . 1 . 2]" 1 717 1 98 ALA MB 1 116 LEU MD2 7.540 . 7.540 2.988 1.664 4.632 . 0 0 "[ . 1 . 2]" 1 718 1 116 LEU MD2 1 152 SER HA 6.520 . 6.520 4.238 2.657 5.214 . 0 0 "[ . 1 . 2]" 1 719 1 100 SER HB2 1 116 LEU MD1 6.520 . 6.520 3.729 2.092 5.199 . 0 0 "[ . 1 . 2]" 1 720 1 101 LEU MD2 1 148 ARG HB2 6.520 . 6.520 3.694 1.993 5.319 . 0 0 "[ . 1 . 2]" 1 721 1 101 LEU MD2 1 148 ARG HB3 6.520 . 6.520 3.760 2.134 5.097 . 0 0 "[ . 1 . 2]" 1 722 1 102 TYR HB2 1 112 VAL MG1 6.520 . 6.520 3.445 2.363 5.269 . 0 0 "[ . 1 . 2]" 1 723 1 109 ILE MG 1 110 GLU HA 6.520 . 6.520 3.333 3.054 4.103 . 0 0 "[ . 1 . 2]" 1 724 1 109 ILE MD 1 151 VAL HA 6.520 . 6.520 4.886 4.273 5.443 . 0 0 "[ . 1 . 2]" 1 725 1 109 ILE MD 1 112 VAL MG2 7.540 . 7.540 4.582 3.232 5.135 . 0 0 "[ . 1 . 2]" 1 726 1 109 ILE MD 1 151 VAL MG2 7.540 . 7.540 2.736 1.587 3.582 . 0 0 "[ . 1 . 2]" 1 727 1 102 TYR HB3 1 112 VAL MG1 6.520 . 6.520 4.146 1.936 5.267 . 0 0 "[ . 1 . 2]" 1 728 1 109 ILE HB 1 112 VAL MG1 6.520 . 6.520 4.586 3.862 5.404 . 0 0 "[ . 1 . 2]" 1 729 1 100 SER HB3 1 112 VAL MG2 6.520 . 6.520 3.134 1.980 5.033 . 0 0 "[ . 1 . 2]" 1 730 1 100 SER HB2 1 112 VAL MG2 6.520 . 6.520 3.318 1.427 5.401 . 0 0 "[ . 1 . 2]" 1 731 1 120 VAL MG2 1 125 PHE HB3 6.080 . 6.080 3.274 2.045 4.977 . 0 0 "[ . 1 . 2]" 1 732 1 120 VAL MG2 1 125 PHE HB2 6.520 . 6.520 2.993 1.505 4.711 . 0 0 "[ . 1 . 2]" 1 733 1 61 TYR HB2 1 131 ALA MB 6.520 . 6.520 3.102 1.320 4.868 . 0 0 "[ . 1 . 2]" 1 734 1 131 ALA MB 1 153 LEU HA 6.520 . 6.520 2.962 2.071 4.045 . 0 0 "[ . 1 . 2]" 1 735 1 134 ILE MD 1 150 ARG QB 7.400 . 7.400 3.235 1.659 5.300 . 0 0 "[ . 1 . 2]" 1 736 1 137 ASP HB3 1 142 THR MG 6.520 . 6.520 3.037 1.424 5.573 . 0 0 "[ . 1 . 2]" 1 737 1 137 ASP HB3 1 147 LEU MD2 6.520 . 6.520 4.429 3.297 5.459 . 0 0 "[ . 1 . 2]" 1 738 1 139 PRO HB2 1 147 LEU MD2 6.360 . 6.360 4.323 3.319 5.211 . 0 0 "[ . 1 . 2]" 1 739 1 143 ALA MB 1 147 LEU MD2 7.540 . 7.540 4.402 2.552 5.177 . 0 0 "[ . 1 . 2]" 1 740 1 142 THR MG 1 147 LEU HG 6.520 . 6.520 4.255 3.258 5.445 . 0 0 "[ . 1 . 2]" 1 741 1 137 ASP HB2 1 142 THR MG 6.520 . 6.520 3.318 1.797 5.288 . 0 0 "[ . 1 . 2]" 1 742 1 142 THR MG 1 147 LEU HA 6.520 . 6.520 3.882 2.484 5.367 . 0 0 "[ . 1 . 2]" 1 743 1 142 THR HA 1 143 ALA MB 6.520 . 6.520 4.103 3.897 4.492 . 0 0 "[ . 1 . 2]" 1 744 1 103 ILE MG 1 146 GLN HA 6.520 . 6.520 3.660 2.144 5.228 . 0 0 "[ . 1 . 2]" 1 745 1 144 PRO HA 1 147 LEU MD2 6.520 . 6.520 3.618 1.947 5.369 . 0 0 "[ . 1 . 2]" 1 746 1 139 PRO HA 1 147 LEU MD2 6.050 . 6.050 2.531 1.415 4.884 . 0 0 "[ . 1 . 2]" 1 747 1 137 ASP HB2 1 147 LEU MD2 6.520 . 6.520 4.339 2.000 5.489 . 0 0 "[ . 1 . 2]" 1 748 1 139 PRO HB3 1 147 LEU MD2 6.520 . 6.520 3.255 2.222 4.440 . 0 0 "[ . 1 . 2]" 1 749 1 109 ILE MD 1 149 THR HB 6.520 . 6.520 4.711 3.513 5.506 . 0 0 "[ . 1 . 2]" 1 750 1 109 ILE MD 1 149 THR MG 7.540 . 7.540 3.589 2.744 4.452 . 0 0 "[ . 1 . 2]" 1 751 1 142 THR MG 1 147 LEU MD2 7.540 . 7.540 2.381 1.644 3.710 . 0 0 "[ . 1 . 2]" 1 752 1 134 ILE MG 1 150 ARG QB 7.400 . 7.400 3.675 2.337 5.544 . 0 0 "[ . 1 . 2]" 1 753 1 112 VAL MG1 1 151 VAL HB 6.520 . 6.520 4.074 3.192 5.333 . 0 0 "[ . 1 . 2]" 1 754 1 112 VAL MG2 1 151 VAL HB 6.520 . 6.520 4.798 4.047 5.360 . 0 0 "[ . 1 . 2]" 1 755 1 112 VAL MG2 1 151 VAL MG2 7.540 . 7.540 4.380 2.847 5.090 . 0 0 "[ . 1 . 2]" 1 756 1 112 VAL MG1 1 151 VAL MG2 7.540 . 7.540 3.614 2.473 5.052 . 0 0 "[ . 1 . 2]" 1 757 1 131 ALA MB 1 151 VAL MG2 7.540 . 7.540 3.534 2.243 4.701 . 0 0 "[ . 1 . 2]" 1 758 1 125 PHE HB2 1 155 LEU MD1 6.520 . 6.520 3.123 2.192 4.564 . 0 0 "[ . 1 . 2]" 1 759 1 125 PHE HB3 1 155 LEU MD1 6.520 . 6.520 2.704 1.657 5.456 . 0 0 "[ . 1 . 2]" 1 760 1 11 LEU MD1 1 119 TRP HH2 6.520 . 6.520 3.379 1.828 4.853 . 0 0 "[ . 1 . 2]" 1 761 1 11 LEU MD2 1 119 TRP HH2 6.210 . 6.210 3.098 1.675 4.467 . 0 0 "[ . 1 . 2]" 1 762 1 11 LEU MD2 1 119 TRP HZ3 6.520 . 6.520 4.012 2.351 5.492 . 0 0 "[ . 1 . 2]" 1 763 1 14 LEU MD1 1 132 TYR QE 8.650 . 8.650 3.558 2.124 5.810 . 0 0 "[ . 1 . 2]" 1 764 1 14 LEU MD2 1 132 TYR QE 8.650 . 8.650 3.537 1.911 5.973 . 0 0 "[ . 1 . 2]" 1 765 1 19 ALA MB 1 58 PHE QE 8.650 . 8.650 3.306 1.922 5.514 . 0 0 "[ . 1 . 2]" 1 766 1 20 LEU MD1 1 89 THR H 6.520 . 6.520 4.509 3.007 5.460 . 0 0 "[ . 1 . 2]" 1 767 1 100 SER H 1 116 LEU MD2 6.520 . 6.520 3.418 2.398 4.897 . 0 0 "[ . 1 . 2]" 1 768 1 99 SER H 1 116 LEU MD2 6.520 . 6.520 4.360 3.030 5.357 . 0 0 "[ . 1 . 2]" 1 769 1 99 SER HA 1 116 LEU MD2 6.520 . 6.520 3.665 2.658 4.684 . 0 0 "[ . 1 . 2]" 1 770 1 27 ALA MB 1 30 GLU H 6.520 . 6.520 4.120 2.668 5.360 . 0 0 "[ . 1 . 2]" 1 771 1 27 ALA MB 1 29 SER H 6.520 . 6.520 4.070 2.648 5.514 . 0 0 "[ . 1 . 2]" 1 772 1 31 LEU MD1 1 61 TYR QE 8.650 . 8.650 4.250 1.760 5.985 . 0 0 "[ . 1 . 2]" 1 773 1 31 LEU MD1 1 35 PHE QE 8.650 . 8.650 3.177 1.878 4.566 . 0 0 "[ . 1 . 2]" 1 774 1 31 LEU MD1 1 35 PHE HZ 6.520 . 6.520 4.025 2.621 5.385 . 0 0 "[ . 1 . 2]" 1 775 1 31 LEU MD2 1 35 PHE HZ 6.520 . 6.520 3.909 2.352 5.494 . 0 0 "[ . 1 . 2]" 1 776 1 31 LEU MD2 1 35 PHE QE 8.650 . 8.650 2.928 1.744 5.088 . 0 0 "[ . 1 . 2]" 1 777 1 31 LEU MD2 1 61 TYR QE 8.650 . 8.650 4.111 1.755 6.148 . 0 0 "[ . 1 . 2]" 1 778 1 46 LEU MD1 1 52 SER H 6.520 . 6.520 4.124 3.203 5.151 . 0 0 "[ . 1 . 2]" 1 779 1 35 PHE HZ 1 59 ALA MB 6.520 . 6.520 3.238 1.945 4.965 . 0 0 "[ . 1 . 2]" 1 780 1 59 ALA MB 1 135 TYR QE 8.650 . 8.650 2.619 1.729 5.845 . 0 0 "[ . 1 . 2]" 1 781 1 26 THR H 1 68 THR MG 6.520 . 6.520 3.817 2.782 5.104 . 0 0 "[ . 1 . 2]" 1 782 1 7 PHE QD 1 115 ALA MB 8.650 . 8.650 3.466 2.285 5.233 . 0 0 "[ . 1 . 2]" 1 783 1 20 LEU H 1 77 VAL MG1 6.520 . 6.520 2.941 2.310 5.012 . 0 0 "[ . 1 . 2]" 1 784 1 20 LEU H 1 77 VAL MG2 6.520 . 6.520 3.578 2.684 4.798 . 0 0 "[ . 1 . 2]" 1 785 1 19 ALA HA 1 77 VAL MG2 6.520 . 6.520 2.649 1.756 3.872 . 0 0 "[ . 1 . 2]" 1 786 1 19 ALA HA 1 77 VAL MG1 6.520 . 6.520 3.242 2.236 5.142 . 0 0 "[ . 1 . 2]" 1 787 1 79 GLY H 1 81 VAL MG2 6.520 . 6.520 2.591 1.851 3.445 . 0 0 "[ . 1 . 2]" 1 788 1 78 GLU H 1 81 VAL MG2 6.520 . 6.520 3.117 2.194 3.516 . 0 0 "[ . 1 . 2]" 1 789 1 49 GLN HE21 1 81 VAL MG2 8.250 . 8.250 5.047 3.372 6.651 . 0 0 "[ . 1 . 2]" 1 790 1 79 GLY H 1 81 VAL MG1 6.520 . 6.520 5.178 4.618 5.553 . 0 0 "[ . 1 . 2]" 1 791 1 78 GLU H 1 81 VAL MG1 6.520 . 6.520 5.155 4.070 5.478 . 0 0 "[ . 1 . 2]" 1 792 1 49 GLN HE21 1 81 VAL MG1 8.250 . 8.250 3.695 1.692 4.940 . 0 0 "[ . 1 . 2]" 1 793 1 84 SER H 1 87 VAL MG1 6.520 . 6.520 3.231 1.343 4.618 . 0 0 "[ . 1 . 2]" 1 794 1 84 SER H 1 87 VAL MG2 6.520 . 6.520 4.169 3.424 4.982 . 0 0 "[ . 1 . 2]" 1 795 1 83 GLY H 1 89 THR MG 5.870 . 5.870 3.630 2.009 4.924 . 0 0 "[ . 1 . 2]" 1 796 1 17 VAL H 1 91 LEU MD1 6.520 . 6.520 4.648 3.127 5.548 . 0 0 "[ . 1 . 2]" 1 797 1 97 ALA MB 1 152 SER HA 6.520 . 6.520 4.232 3.396 4.632 . 0 0 "[ . 1 . 2]" 1 798 1 97 ALA MB 1 153 LEU H 6.520 . 6.520 3.803 2.802 4.469 . 0 0 "[ . 1 . 2]" 1 799 1 98 ALA MB 1 153 LEU H 6.520 . 6.520 3.261 2.881 3.581 . 0 0 "[ . 1 . 2]" 1 800 1 98 ALA MB 1 119 TRP HE3 6.520 . 6.520 3.453 2.558 5.470 . 0 0 "[ . 1 . 2]" 1 801 1 98 ALA MB 1 119 TRP HZ3 6.520 . 6.520 3.125 1.997 5.380 . 0 0 "[ . 1 . 2]" 1 802 1 101 LEU MD2 1 149 THR H 6.520 . 6.520 4.839 2.641 5.401 . 0 0 "[ . 1 . 2]" 1 803 1 103 ILE MD 1 148 ARG HA 6.520 . 6.520 3.909 1.884 5.221 . 0 0 "[ . 1 . 2]" 1 804 1 109 ILE MG 1 113 TYR QD 8.650 . 8.650 3.669 2.062 5.048 . 0 0 "[ . 1 . 2]" 1 805 1 109 ILE MG 1 113 TYR QE 8.650 . 8.650 3.969 1.754 6.344 . 0 0 "[ . 1 . 2]" 1 806 1 102 TYR QD 1 109 ILE MD 8.650 . 8.650 4.150 2.699 6.094 . 0 0 "[ . 1 . 2]" 1 807 1 109 ILE MD 1 135 TYR QD 8.650 . 8.650 6.186 5.394 6.682 . 0 0 "[ . 1 . 2]" 1 808 1 109 ILE MD 1 113 TYR QD 8.650 . 8.650 4.529 3.196 5.760 . 0 0 "[ . 1 . 2]" 1 809 1 109 ILE MD 1 113 TYR QE 8.650 . 8.650 4.601 2.184 6.157 . 0 0 "[ . 1 . 2]" 1 810 1 102 TYR QD 1 112 VAL MG1 8.650 . 8.650 3.103 1.943 4.399 . 0 0 "[ . 1 . 2]" 1 811 1 7 PHE QD 1 112 VAL MG2 8.650 . 8.650 3.206 2.347 5.826 . 0 0 "[ . 1 . 2]" 1 812 1 102 TYR QD 1 112 VAL MG2 8.650 . 8.650 3.144 1.794 5.013 . 0 0 "[ . 1 . 2]" 1 813 1 119 TRP HE3 1 120 VAL MG1 6.520 . 6.520 4.581 3.450 5.685 . 0 0 "[ . 1 . 2]" 1 814 1 120 VAL MG2 1 127 LEU H 6.520 . 6.520 4.877 3.868 5.597 . 0 0 "[ . 1 . 2]" 1 815 1 120 VAL MG2 1 125 PHE H 6.520 . 6.520 3.084 2.191 5.398 . 0 0 "[ . 1 . 2]" 1 816 1 119 TRP HE3 1 120 VAL MG2 6.520 . 6.520 4.105 2.653 5.484 . 0 0 "[ . 1 . 2]" 1 817 1 120 VAL MG2 1 125 PHE QD 8.650 . 8.650 3.776 2.406 5.381 . 0 0 "[ . 1 . 2]" 1 818 1 120 VAL MG2 1 126 ASP HA 6.520 . 6.520 3.905 2.956 4.936 . 0 0 "[ . 1 . 2]" 1 819 1 61 TYR QD 1 131 ALA MB 8.650 . 8.650 2.836 1.770 4.056 . 0 0 "[ . 1 . 2]" 1 820 1 113 TYR QE 1 131 ALA MB 8.650 . 8.650 3.833 1.884 6.034 . 0 0 "[ . 1 . 2]" 1 821 1 132 TYR QE 1 134 ILE MD 8.650 . 8.650 3.369 1.763 5.875 . 0 0 "[ . 1 . 2]" 1 822 1 143 ALA MB 1 146 GLN H 6.520 . 6.520 3.508 2.754 4.311 . 0 0 "[ . 1 . 2]" 1 823 1 135 TYR QD 1 149 THR MG 8.650 . 8.650 3.426 2.362 5.461 . 0 0 "[ . 1 . 2]" 1 824 1 135 TYR QE 1 149 THR MG 8.650 . 8.650 3.484 2.353 5.664 . 0 0 "[ . 1 . 2]" 1 825 1 113 TYR QE 1 151 VAL MG1 8.650 . 8.650 5.061 3.148 6.417 . 0 0 "[ . 1 . 2]" 1 826 1 113 TYR QE 1 151 VAL MG2 8.650 . 8.650 3.817 1.890 5.780 . 0 0 "[ . 1 . 2]" 1 827 1 98 ALA H 1 155 LEU MD1 6.520 . 6.520 3.360 2.309 5.416 . 0 0 "[ . 1 . 2]" 1 828 1 98 ALA H 1 155 LEU MD2 6.520 . 6.520 2.390 1.379 4.317 . 0 0 "[ . 1 . 2]" 1 829 1 97 ALA HA 1 155 LEU MD1 6.520 . 6.520 3.578 2.423 5.315 . 0 0 "[ . 1 . 2]" 1 830 1 97 ALA HA 1 155 LEU MD2 6.520 . 6.520 2.969 1.626 5.130 . 0 0 "[ . 1 . 2]" 1 831 1 7 PHE QE 1 111 ALA MB 8.650 . 8.650 3.562 2.044 5.943 . 0 0 "[ . 1 . 2]" 1 832 1 125 PHE HB2 1 155 LEU MD2 6.520 . 6.520 4.408 2.102 5.509 . 0 0 "[ . 1 . 2]" 1 833 1 125 PHE HB3 1 155 LEU MD2 6.520 . 6.520 4.056 2.085 5.484 . 0 0 "[ . 1 . 2]" 1 834 1 125 PHE QD 1 155 LEU MD2 8.650 . 8.650 4.119 1.584 5.883 . 0 0 "[ . 1 . 2]" 1 835 1 98 ALA MB 1 155 LEU MD2 7.540 . 7.540 2.449 1.651 3.177 . 0 0 "[ . 1 . 2]" 1 836 1 98 ALA MB 1 155 LEU MD1 7.540 . 7.540 2.643 1.458 4.572 . 0 0 "[ . 1 . 2]" 1 837 1 35 PHE QE 1 59 ALA MB 8.650 . 8.650 3.020 1.840 5.092 . 0 0 "[ . 1 . 2]" 1 838 1 71 VAL MG1 1 72 GLU H 6.520 . 6.520 3.851 3.546 4.047 . 0 0 "[ . 1 . 2]" 1 839 1 69 PHE QD 1 71 VAL MG1 8.650 . 8.650 2.553 1.684 3.948 . 0 0 "[ . 1 . 2]" 1 840 1 35 PHE HZ 1 71 VAL MG1 6.520 . 6.520 3.880 2.552 5.375 . 0 0 "[ . 1 . 2]" 1 841 1 35 PHE QE 1 71 VAL MG1 8.650 . 8.650 3.732 2.197 5.440 . 0 0 "[ . 1 . 2]" 1 842 1 61 TYR QE 1 71 VAL MG1 8.650 . 8.650 3.652 2.393 5.760 . 0 0 "[ . 1 . 2]" 1 843 1 61 TYR QD 1 71 VAL MG1 8.650 . 8.650 2.531 1.423 4.143 . 0 0 "[ . 1 . 2]" 1 844 1 61 TYR HA 1 71 VAL MG1 6.520 . 6.520 2.963 2.198 4.029 . 0 0 "[ . 1 . 2]" 1 845 1 25 GLN QB 1 71 VAL MG1 7.400 . 7.400 5.301 4.802 5.435 . 0 0 "[ . 1 . 2]" 1 846 1 46 LEU MD1 1 81 VAL MG2 7.540 . 7.540 3.240 1.821 5.055 . 0 0 "[ . 1 . 2]" 1 847 1 46 LEU MD2 1 81 VAL MG2 7.540 . 7.540 3.865 2.089 5.024 . 0 0 "[ . 1 . 2]" 1 848 1 46 LEU MD1 1 81 VAL MG1 7.540 . 7.540 2.951 1.960 4.517 . 0 0 "[ . 1 . 2]" 1 849 1 46 LEU MD2 1 81 VAL MG1 7.540 . 7.540 3.074 1.951 5.026 . 0 0 "[ . 1 . 2]" 1 850 1 45 LEU MD1 1 49 GLN HE21 6.520 . 6.520 4.021 2.389 5.347 . 0 0 "[ . 1 . 2]" 1 851 1 45 LEU MD1 1 84 SER H 6.240 . 6.240 3.999 2.748 5.129 . 0 0 "[ . 1 . 2]" 1 852 1 45 LEU MD1 1 84 SER HB3 6.520 . 6.520 3.709 2.069 5.182 . 0 0 "[ . 1 . 2]" 1 853 1 45 LEU MD1 1 83 GLY HA3 6.520 . 6.520 4.848 4.148 5.461 . 0 0 "[ . 1 . 2]" 1 854 1 45 LEU MD1 1 83 GLY HA2 6.520 . 6.520 3.591 2.814 4.767 . 0 0 "[ . 1 . 2]" 1 855 1 45 LEU MD1 1 84 SER HB2 6.520 . 6.520 3.698 1.911 5.490 . 0 0 "[ . 1 . 2]" 1 856 1 45 LEU MD1 1 46 LEU H 6.520 . 6.520 4.325 2.567 5.098 . 0 0 "[ . 1 . 2]" 1 857 1 45 LEU MD2 1 83 GLY HA3 6.520 . 6.520 4.358 2.637 5.231 . 0 0 "[ . 1 . 2]" 1 858 1 45 LEU MD2 1 83 GLY HA2 6.520 . 6.520 3.000 1.502 4.280 . 0 0 "[ . 1 . 2]" 1 859 1 45 LEU MD2 1 84 SER H 6.520 . 6.520 3.333 1.703 4.739 . 0 0 "[ . 1 . 2]" 1 860 1 45 LEU MD2 1 46 LEU H 6.520 . 6.520 4.126 3.061 4.789 . 0 0 "[ . 1 . 2]" 1 861 1 45 LEU MD2 1 83 GLY H 6.520 . 6.520 4.792 4.086 5.459 . 0 0 "[ . 1 . 2]" 1 862 1 42 ILE MD 1 75 PHE H 6.520 . 6.520 4.839 3.174 5.451 . 0 0 "[ . 1 . 2]" 1 863 1 22 ILE H 1 42 ILE MD 6.520 . 6.520 4.514 3.138 5.428 . 0 0 "[ . 1 . 2]" 1 864 1 42 ILE MD 1 75 PHE QD 8.650 . 8.650 3.544 2.359 5.472 . 0 0 "[ . 1 . 2]" 1 865 1 39 TYR QD 1 42 ILE MD 8.650 . 8.650 5.346 3.246 6.642 . 0 0 "[ . 1 . 2]" 1 866 1 39 TYR HA 1 42 ILE MD 6.520 . 6.520 3.668 2.129 5.254 . 0 0 "[ . 1 . 2]" 1 867 1 26 THR MG 1 69 PHE QE 8.650 . 8.650 3.862 1.874 6.196 . 0 0 "[ . 1 . 2]" 1 868 1 26 THR MG 1 69 PHE QD 8.650 . 8.650 3.216 1.846 6.201 . 0 0 "[ . 1 . 2]" 1 869 1 26 THR MG 1 71 VAL MG1 7.540 . 7.540 2.734 1.773 4.322 . 0 0 "[ . 1 . 2]" 1 870 1 17 VAL MG1 1 76 PRO HB2 6.520 . 6.520 3.767 2.142 4.903 . 0 0 "[ . 1 . 2]" 1 871 1 17 VAL MG1 1 76 PRO HB3 6.520 . 6.520 2.759 2.010 3.795 . 0 0 "[ . 1 . 2]" 1 872 1 17 VAL MG1 1 18 PRO HD3 6.520 . 6.520 3.691 2.815 4.829 . 0 0 "[ . 1 . 2]" 1 873 1 16 PRO HA 1 17 VAL MG1 6.520 . 6.520 4.866 3.333 5.538 . 0 0 "[ . 1 . 2]" 1 874 1 17 VAL MG1 1 76 PRO HA 6.520 . 6.520 3.689 2.865 4.723 . 0 0 "[ . 1 . 2]" 1 875 1 17 VAL MG1 1 92 THR H 6.520 . 6.520 4.276 3.138 5.335 . 0 0 "[ . 1 . 2]" 1 876 1 17 VAL MG2 1 18 PRO HD3 6.520 . 6.520 3.760 2.890 4.757 . 0 0 "[ . 1 . 2]" 1 877 1 17 VAL MG2 1 92 THR H 6.520 . 6.520 4.723 4.068 5.380 . 0 0 "[ . 1 . 2]" 1 878 1 17 VAL MG2 1 18 PRO HD2 6.520 . 6.520 3.277 1.796 4.273 . 0 0 "[ . 1 . 2]" 1 879 1 17 VAL MG1 1 18 PRO HD2 6.520 . 6.520 2.926 1.840 4.662 . 0 0 "[ . 1 . 2]" 1 880 1 112 VAL HA 1 115 ALA MB 6.520 . 6.520 2.831 2.294 3.683 . 0 0 "[ . 1 . 2]" 1 881 1 7 PHE HB3 1 115 ALA MB 6.520 . 6.520 4.281 2.694 5.432 . 0 0 "[ . 1 . 2]" 1 882 1 112 VAL MG2 1 115 ALA MB 7.540 . 7.540 3.415 2.899 4.469 . 0 0 "[ . 1 . 2]" 1 883 1 19 ALA MB 1 76 PRO HA 6.270 . 6.270 2.428 1.922 2.862 . 0 0 "[ . 1 . 2]" 1 884 1 22 ILE MG 1 24 THR HB 6.520 . 6.520 4.101 2.756 5.342 . 0 0 "[ . 1 . 2]" 1 885 1 22 ILE HA 1 88 VAL MG2 6.520 . 6.520 3.513 2.828 4.535 . 0 0 "[ . 1 . 2]" 1 886 1 97 ALA MB 1 152 SER HB2 6.520 . 6.520 3.727 2.684 4.231 . 0 0 "[ . 1 . 2]" 1 887 1 103 ILE MG 1 145 ASP HA 6.520 . 6.520 4.011 1.740 5.322 . 0 0 "[ . 1 . 2]" 1 888 1 102 TYR HA 1 112 VAL MG2 6.520 . 6.520 4.020 3.192 5.434 . 0 0 "[ . 1 . 2]" 1 889 1 98 ALA MB 1 120 VAL HA 6.520 . 6.520 4.683 3.766 5.424 . 0 0 "[ . 1 . 2]" 1 890 1 61 TYR HB3 1 131 ALA MB 6.520 . 6.520 4.124 2.829 5.242 . 0 0 "[ . 1 . 2]" 1 891 1 7 PHE HB2 1 115 ALA MB 6.520 . 6.520 3.550 2.250 4.792 . 0 0 "[ . 1 . 2]" 1 892 1 139 PRO HD3 1 147 LEU MD1 6.520 . 6.520 3.713 2.468 5.047 . 0 0 "[ . 1 . 2]" 1 893 1 139 PRO HD2 1 147 LEU MD1 6.520 . 6.520 4.754 3.886 5.328 . 0 0 "[ . 1 . 2]" 1 894 1 11 LEU HB2 1 155 LEU MD1 6.520 . 6.520 5.033 4.056 5.457 . 0 0 "[ . 1 . 2]" 1 895 1 11 LEU MD1 1 98 ALA HA 6.520 . 6.520 4.001 2.609 5.412 . 0 0 "[ . 1 . 2]" 1 896 1 18 PRO HD2 1 91 LEU MD2 9.610 . 9.610 5.742 4.257 7.354 . 0 0 "[ . 1 . 2]" 1 897 1 100 SER HB3 1 116 LEU MD1 6.520 . 6.520 3.912 2.015 5.414 . 0 0 "[ . 1 . 2]" 1 898 1 33 SER HA 1 37 ALA MB 6.520 . 6.520 4.743 3.939 5.307 . 0 0 "[ . 1 . 2]" 1 899 1 2 ASP QB 1 3 PHE QB 5.870 . 5.870 4.163 3.319 4.832 . 0 0 "[ . 1 . 2]" 1 900 1 2 ASP HB3 1 3 PHE HB2 6.950 . 6.950 5.287 3.855 6.470 . 0 0 "[ . 1 . 2]" 1 901 1 2 ASP HB3 1 3 PHE HB3 6.950 . 6.950 5.536 3.956 7.068 0.118 1 0 "[ . 1 . 2]" 1 902 1 4 GLU H 1 4 GLU QB 3.910 . 3.910 2.734 2.263 3.328 . 0 0 "[ . 1 . 2]" 1 903 1 6 GLN H 1 6 GLN QB 3.770 . 3.770 2.773 2.340 3.379 . 0 0 "[ . 1 . 2]" 1 904 1 6 GLN QB 1 7 PHE H 4.310 . 4.310 3.320 1.721 3.918 . 0 0 "[ . 1 . 2]" 1 905 1 7 PHE H 1 7 PHE QB 3.790 . 3.790 2.768 2.292 3.364 . 0 0 "[ . 1 . 2]" 1 906 1 7 PHE QB 1 112 VAL MG2 7.400 . 7.400 2.724 1.817 4.807 . 0 0 "[ . 1 . 2]" 1 907 1 8 VAL QG 1 9 CYS H 6.180 . 6.180 2.804 2.466 3.078 . 0 0 "[ . 1 . 2]" 1 908 1 8 VAL QG 1 100 SER HA 8.070 . 8.070 4.344 3.381 5.709 . 0 0 "[ . 1 . 2]" 1 909 1 9 CYS QB 1 10 GLU H 4.190 . 4.190 3.178 2.516 3.733 . 0 0 "[ . 1 . 2]" 1 910 1 9 CYS QB 1 100 SER HA 6.380 . 6.380 4.316 3.311 5.627 . 0 0 "[ . 1 . 2]" 1 911 1 9 CYS QB 1 116 LEU MD2 7.400 . 7.400 2.944 1.903 4.735 . 0 0 "[ . 1 . 2]" 1 912 1 9 CYS QB 1 119 TRP HD1 6.380 . 6.380 3.753 2.318 5.713 . 0 0 "[ . 1 . 2]" 1 913 1 10 GLU H 1 100 SER QB 6.380 . 6.380 4.153 3.089 5.086 . 0 0 "[ . 1 . 2]" 1 914 1 10 GLU QB 1 11 LEU H 3.850 . 3.850 2.818 2.049 3.556 . 0 0 "[ . 1 . 2]" 1 915 1 11 LEU MD1 1 96 LYS QG 7.210 . 7.210 3.211 1.838 4.581 . 0 0 "[ . 1 . 2]" 1 916 1 11 LEU MD1 1 96 LYS QE 7.400 . 7.400 4.316 3.299 5.472 . 0 0 "[ . 1 . 2]" 1 917 1 11 LEU MD2 1 96 LYS QE 7.400 . 7.400 4.525 3.461 5.439 . 0 0 "[ . 1 . 2]" 1 918 1 12 LYS H 1 12 LYS QB 3.730 . 3.730 2.652 2.435 3.282 . 0 0 "[ . 1 . 2]" 1 919 1 12 LYS QB 1 13 GLU H 4.250 . 4.250 2.804 2.048 3.718 . 0 0 "[ . 1 . 2]" 1 920 1 12 LYS QB 1 14 LEU QD 8.020 . 8.020 3.750 2.851 4.915 . 0 0 "[ . 1 . 2]" 1 921 1 12 LYS HB2 1 14 LEU MD2 9.610 . 9.610 4.969 3.344 7.856 . 0 0 "[ . 1 . 2]" 1 922 1 12 LYS HB3 1 14 LEU MD2 9.610 . 9.610 4.855 3.121 7.488 . 0 0 "[ . 1 . 2]" 1 923 1 12 LYS QG 1 13 GLU H 6.380 . 6.380 3.600 2.409 4.580 . 0 0 "[ . 1 . 2]" 1 924 1 12 LYS QD 1 13 GLU H 6.380 . 6.380 4.225 2.991 5.324 . 0 0 "[ . 1 . 2]" 1 925 1 13 GLU HA 1 96 LYS QG 6.380 . 6.380 3.891 1.871 5.040 . 0 0 "[ . 1 . 2]" 1 926 1 13 GLU QB 1 14 LEU H 4.210 . 4.210 3.122 2.602 3.843 . 0 0 "[ . 1 . 2]" 1 927 1 13 GLU QG 1 96 LYS HA 6.380 . 6.380 4.395 3.100 5.349 . 0 0 "[ . 1 . 2]" 1 928 1 13 GLU QG 1 96 LYS QG 6.920 . 6.920 4.459 2.401 5.572 . 0 0 "[ . 1 . 2]" 1 929 1 14 LEU QB 1 93 PRO QB 7.260 . 7.260 4.685 2.944 5.843 . 0 0 "[ . 1 . 2]" 1 930 1 14 LEU QB 1 94 SER H 6.380 . 6.380 5.010 4.282 5.536 . 0 0 "[ . 1 . 2]" 1 931 1 14 LEU QB 1 94 SER HA 6.380 . 6.380 3.058 2.330 4.343 . 0 0 "[ . 1 . 2]" 1 932 1 14 LEU QB 1 95 GLY H 6.380 . 6.380 2.962 1.820 3.648 . 0 0 "[ . 1 . 2]" 1 933 1 14 LEU QB 1 97 ALA MB 7.400 . 7.400 4.120 2.259 5.403 . 0 0 "[ . 1 . 2]" 1 934 1 14 LEU QD 1 97 ALA MB 9.090 . 9.090 2.385 1.780 4.414 . 0 0 "[ . 1 . 2]" 1 935 1 14 LEU QD 1 132 TYR QD 10.200 . 10.200 3.578 2.577 4.484 . 0 0 "[ . 1 . 2]" 1 936 1 14 LEU QD 1 152 SER QB 8.950 . 8.950 3.351 1.922 4.137 . 0 0 "[ . 1 . 2]" 1 937 1 16 PRO HA 1 91 LEU QD 8.070 . 8.070 3.522 2.410 4.846 . 0 0 "[ . 1 . 2]" 1 938 1 17 VAL HB 1 76 PRO QB 6.380 . 6.380 4.539 2.573 5.678 . 0 0 "[ . 1 . 2]" 1 939 1 17 VAL MG1 1 76 PRO QG 7.410 . 7.410 3.688 2.727 5.134 . 0 0 "[ . 1 . 2]" 1 940 1 18 PRO HA 1 91 LEU QD 7.630 . 7.630 3.062 1.857 4.225 . 0 0 "[ . 1 . 2]" 1 941 1 18 PRO HB2 1 91 LEU QD 8.070 . 8.070 4.846 3.614 6.027 . 0 0 "[ . 1 . 2]" 1 942 1 18 PRO QG 1 77 VAL MG2 7.410 . 7.410 3.973 2.446 5.391 . 0 0 "[ . 1 . 2]" 1 943 1 18 PRO QG 1 91 LEU QD 8.950 . 8.950 3.755 2.512 5.817 . 0 0 "[ . 1 . 2]" 1 944 1 18 PRO QD 1 91 LEU QD 8.020 . 8.020 3.696 2.139 4.989 . 0 0 "[ . 1 . 2]" 1 945 1 18 PRO HD2 1 91 LEU MD1 9.610 . 9.610 5.717 3.640 7.101 . 0 0 "[ . 1 . 2]" 1 946 1 18 PRO HD3 1 91 LEU MD1 9.610 . 9.610 4.627 2.162 6.023 . 0 0 "[ . 1 . 2]" 1 947 1 19 ALA H 1 91 LEU QD 8.040 . 8.040 4.099 2.894 4.884 . 0 0 "[ . 1 . 2]" 1 948 1 20 LEU QB 1 77 VAL MG1 5.850 . 5.850 2.639 1.787 4.022 . 0 0 "[ . 1 . 2]" 1 949 1 20 LEU HG 1 81 VAL QG 8.070 . 8.070 3.974 2.506 5.676 . 0 0 "[ . 1 . 2]" 1 950 1 20 LEU QD 1 46 LEU MD1 8.840 . 8.840 3.365 2.234 4.261 . 0 0 "[ . 1 . 2]" 1 951 1 20 LEU QD 1 77 VAL HB 8.070 . 8.070 3.995 3.411 5.018 . 0 0 "[ . 1 . 2]" 1 952 1 20 LEU QD 1 81 VAL HB 8.070 . 8.070 2.906 2.014 3.671 . 0 0 "[ . 1 . 2]" 1 953 1 20 LEU QD 1 82 GLU HA 8.070 . 8.070 3.943 2.089 5.321 . 0 0 "[ . 1 . 2]" 1 954 1 20 LEU QD 1 83 GLY H 8.070 . 8.070 3.959 2.795 5.503 . 0 0 "[ . 1 . 2]" 1 955 1 20 LEU QD 1 83 GLY QA 6.770 . 6.770 2.652 1.698 3.599 . 0 0 "[ . 1 . 2]" 1 956 1 20 LEU MD1 1 83 GLY HA3 8.280 . 8.280 4.208 2.556 5.411 . 0 0 "[ . 1 . 2]" 1 957 1 20 LEU QD 1 87 VAL H 8.070 . 8.070 5.402 4.661 5.791 . 0 0 "[ . 1 . 2]" 1 958 1 20 LEU QD 1 87 VAL HA 8.070 . 8.070 4.445 3.658 5.485 . 0 0 "[ . 1 . 2]" 1 959 1 20 LEU QD 1 87 VAL HB 8.070 . 8.070 3.782 2.706 4.791 . 0 0 "[ . 1 . 2]" 1 960 1 20 LEU QD 1 88 VAL H 8.070 . 8.070 4.107 3.110 5.274 . 0 0 "[ . 1 . 2]" 1 961 1 20 LEU QD 1 89 THR MG 8.220 . 8.220 2.554 1.631 3.804 . 0 0 "[ . 1 . 2]" 1 962 1 20 LEU QD 1 90 GLY H 8.070 . 8.070 3.956 3.038 5.219 . 0 0 "[ . 1 . 2]" 1 963 1 21 LEU H 1 87 VAL QG 8.070 . 8.070 3.249 2.611 4.107 . 0 0 "[ . 1 . 2]" 1 964 1 22 ILE MG 1 86 ARG QB 7.400 . 7.400 3.504 2.209 5.265 . 0 0 "[ . 1 . 2]" 1 965 1 22 ILE QG 1 42 ILE MD 7.400 . 7.400 3.938 2.270 5.589 . 0 0 "[ . 1 . 2]" 1 966 1 22 ILE QG 1 87 VAL QG 8.020 . 8.020 2.959 1.637 4.430 . 0 0 "[ . 1 . 2]" 1 967 1 22 ILE HG12 1 87 VAL MG1 9.620 . 9.620 4.536 3.045 6.228 . 0 0 "[ . 1 . 2]" 1 968 1 22 ILE HG13 1 87 VAL MG1 9.620 . 9.620 4.314 1.767 5.796 . 0 0 "[ . 1 . 2]" 1 969 1 31 LEU HA 1 34 LEU QB 5.110 . 5.110 3.022 1.972 4.388 . 0 0 "[ . 1 . 2]" 1 970 1 31 LEU QB 1 32 GLY H 4.150 . 4.150 2.679 2.157 3.733 . 0 0 "[ . 1 . 2]" 1 971 1 31 LEU QD 1 35 PHE QD 10.200 . 10.200 3.262 2.276 5.085 . 0 0 "[ . 1 . 2]" 1 972 1 31 LEU QD 1 69 PHE QE 10.200 . 10.200 3.174 1.543 5.293 . 0 0 "[ . 1 . 2]" 1 973 1 33 SER HA 1 36 GLU QB 4.840 . 4.840 2.876 2.220 3.493 . 0 0 "[ . 1 . 2]" 1 974 1 33 SER QB 1 36 GLU QB 7.260 . 7.260 4.331 3.706 5.058 . 0 0 "[ . 1 . 2]" 1 975 1 34 LEU H 1 34 LEU QB 3.720 . 3.720 2.239 2.058 2.539 . 0 0 "[ . 1 . 2]" 1 976 1 34 LEU QB 1 35 PHE H 3.930 . 3.930 2.583 2.255 3.617 . 0 0 "[ . 1 . 2]" 1 977 1 35 PHE QB 1 36 GLU H 4.450 . 4.450 2.668 2.302 3.706 . 0 0 "[ . 1 . 2]" 1 978 1 36 GLU H 1 36 GLU QB 3.420 . 3.420 2.301 2.064 2.496 . 0 0 "[ . 1 . 2]" 1 979 1 36 GLU HA 1 39 TYR QB 6.260 . 6.260 4.298 2.832 5.519 . 0 0 "[ . 1 . 2]" 1 980 1 36 GLU QB 1 37 ALA H 3.970 . 3.970 2.466 2.189 3.054 . 0 0 "[ . 1 . 2]" 1 981 1 40 HIS H 1 40 HIS QB 3.560 . 3.560 2.277 2.062 2.571 . 0 0 "[ . 1 . 2]" 1 982 1 40 HIS QB 1 41 ASP H 4.130 . 4.130 2.758 2.279 3.618 . 0 0 "[ . 1 . 2]" 1 983 1 45 LEU QB 1 84 SER QB 6.320 . 6.320 4.127 2.288 4.956 . 0 0 "[ . 1 . 2]" 1 984 1 45 LEU HB2 1 84 SER HB2 7.260 . 7.260 5.244 2.869 6.630 . 0 0 "[ . 1 . 2]" 1 985 1 45 LEU HB3 1 84 SER HB2 7.260 . 7.260 6.089 2.433 7.327 0.067 15 0 "[ . 1 . 2]" 1 986 1 45 LEU MD1 1 83 GLY QA 5.980 . 5.980 3.484 2.778 4.236 . 0 0 "[ . 1 . 2]" 1 987 1 45 LEU MD2 1 83 GLY QA 6.290 . 6.290 2.940 1.494 4.028 . 0 0 "[ . 1 . 2]" 1 988 1 46 LEU HA 1 49 GLN QB 5.230 . 5.230 3.243 2.391 4.340 . 0 0 "[ . 1 . 2]" 1 989 1 46 LEU HA 1 81 VAL QG 8.070 . 8.070 3.399 2.634 4.152 . 0 0 "[ . 1 . 2]" 1 990 1 46 LEU MD1 1 53 PRO QG 7.410 . 7.410 3.831 2.183 5.464 . 0 0 "[ . 1 . 2]" 1 991 1 49 GLN H 1 49 GLN QB 3.570 . 3.570 2.380 2.235 2.839 . 0 0 "[ . 1 . 2]" 1 992 1 49 GLN QB 1 81 VAL QG 8.020 . 8.020 3.642 3.010 4.498 . 0 0 "[ . 1 . 2]" 1 993 1 49 GLN HB2 1 81 VAL MG2 9.620 . 9.620 5.297 3.403 6.752 . 0 0 "[ . 1 . 2]" 1 994 1 49 GLN HB3 1 81 VAL MG2 9.620 . 9.620 5.023 3.681 6.578 . 0 0 "[ . 1 . 2]" 1 995 1 49 GLN QE 1 81 VAL QG 6.760 . 6.760 2.892 1.542 4.103 . 0 0 "[ . 1 . 2]" 1 996 1 49 GLN HE22 1 81 VAL MG2 8.250 . 8.250 4.770 2.729 6.834 . 0 0 "[ . 1 . 2]" 1 997 1 49 GLN QE 1 82 GLU QB 5.850 . 5.850 3.712 2.213 4.471 . 0 0 "[ . 1 . 2]" 1 998 1 49 GLN HE22 1 82 GLU HB2 7.230 . 7.230 4.479 2.249 6.152 . 0 0 "[ . 1 . 2]" 1 999 1 51 LYS H 1 51 LYS QB 3.730 . 3.730 2.770 2.337 3.261 . 0 0 "[ . 1 . 2]" 1 1000 1 51 LYS HA 1 51 LYS QD 5.010 . 5.010 3.810 1.947 4.514 . 0 0 "[ . 1 . 2]" 1 1001 1 51 LYS HA 1 51 LYS QE 5.000 . 5.000 4.085 3.214 4.590 . 0 0 "[ . 1 . 2]" 1 1002 1 51 LYS QB 1 52 SER H 3.320 . 3.320 2.187 1.946 2.550 . 0 0 "[ . 1 . 2]" 1 1003 1 51 LYS QD 1 81 VAL QG 7.050 . 7.050 2.624 1.670 4.232 . 0 0 "[ . 1 . 2]" 1 1004 1 51 LYS HD2 1 81 VAL MG1 8.170 . 8.170 4.449 1.948 6.713 . 0 0 "[ . 1 . 2]" 1 1005 1 51 LYS HD3 1 81 VAL MG2 8.170 . 8.170 3.197 1.831 5.146 . 0 0 "[ . 1 . 2]" 1 1006 1 51 LYS QE 1 81 VAL QG 6.680 . 6.680 3.480 2.385 4.388 . 0 0 "[ . 1 . 2]" 1 1007 1 51 LYS HE3 1 81 VAL MG1 8.280 . 8.280 5.413 3.987 6.749 . 0 0 "[ . 1 . 2]" 1 1008 1 52 SER H 1 52 SER QB 3.730 . 3.730 2.908 2.643 3.263 . 0 0 "[ . 1 . 2]" 1 1009 1 53 PRO QB 1 54 SER H 3.880 . 3.880 2.998 2.226 3.349 . 0 0 "[ . 1 . 2]" 1 1010 1 53 PRO QB 1 55 GLY H 3.710 . 3.710 2.613 2.204 3.406 . 0 0 "[ . 1 . 2]" 1 1011 1 53 PRO QB 1 75 PHE QB 6.320 . 6.320 3.203 2.118 4.759 . 0 0 "[ . 1 . 2]" 1 1012 1 53 PRO HB2 1 75 PHE HB3 7.260 . 7.260 5.289 3.550 6.829 . 0 0 "[ . 1 . 2]" 1 1013 1 53 PRO HB3 1 75 PHE HB3 7.260 . 7.260 4.156 2.146 6.372 . 0 0 "[ . 1 . 2]" 1 1014 1 53 PRO QB 1 77 VAL MG1 7.400 . 7.400 4.173 2.450 5.205 . 0 0 "[ . 1 . 2]" 1 1015 1 53 PRO QD 1 54 SER H 5.500 . 5.500 4.912 4.542 4.995 . 0 0 "[ . 1 . 2]" 1 1016 1 58 PHE QB 1 59 ALA H 4.480 . 4.480 2.802 2.045 3.366 . 0 0 "[ . 1 . 2]" 1 1017 1 58 PHE QB 1 134 ILE MG 7.400 . 7.400 3.388 1.787 5.323 . 0 0 "[ . 1 . 2]" 1 1018 1 58 PHE QB 1 134 ILE MD 7.400 . 7.400 3.994 1.874 5.388 . 0 0 "[ . 1 . 2]" 1 1019 1 60 ARG HA 1 133 GLU QG 6.380 . 6.380 5.193 4.221 5.882 . 0 0 "[ . 1 . 2]" 1 1020 1 61 TYR HA 1 70 GLU QG 6.380 . 6.380 5.391 4.368 5.850 . 0 0 "[ . 1 . 2]" 1 1021 1 64 MET H 1 64 MET QB 3.820 . 3.820 2.656 2.204 3.336 . 0 0 "[ . 1 . 2]" 1 1022 1 64 MET QG 1 154 MET H 6.380 . 6.380 5.573 4.974 5.876 . 0 0 "[ . 1 . 2]" 1 1023 1 69 PHE QB 1 70 GLU H 4.090 . 4.090 3.323 2.040 3.868 . 0 0 "[ . 1 . 2]" 1 1024 1 70 GLU QG 1 71 VAL H 5.370 . 5.370 3.233 2.091 4.642 . 0 0 "[ . 1 . 2]" 1 1025 1 70 GLU QG 1 71 VAL HA 6.380 . 6.380 4.495 3.590 5.793 . 0 0 "[ . 1 . 2]" 1 1026 1 77 VAL HB 1 81 VAL QG 7.360 . 7.360 2.211 1.642 4.217 . 0 0 "[ . 1 . 2]" 1 1027 1 77 VAL MG2 1 79 GLY QA 7.400 . 7.400 3.260 2.623 5.447 . 0 0 "[ . 1 . 2]" 1 1028 1 78 GLU QB 1 79 GLY H 4.110 . 4.110 2.604 2.024 3.355 . 0 0 "[ . 1 . 2]" 1 1029 1 82 GLU H 1 82 GLU QB 3.850 . 3.850 2.569 2.122 3.259 . 0 0 "[ . 1 . 2]" 1 1030 1 82 GLU QB 1 83 GLY H 4.080 . 4.080 2.910 1.758 3.723 . 0 0 "[ . 1 . 2]" 1 1031 1 82 GLU QB 1 89 THR MG 7.400 . 7.400 4.708 2.441 5.525 . 0 0 "[ . 1 . 2]" 1 1032 1 82 GLU QG 1 83 GLY H 5.350 . 5.350 3.221 1.851 4.652 . 0 0 "[ . 1 . 2]" 1 1033 1 83 GLY QA 1 88 VAL MG1 7.400 . 7.400 3.731 2.729 4.719 . 0 0 "[ . 1 . 2]" 1 1034 1 83 GLY QA 1 89 THR H 5.260 . 5.260 3.291 2.272 4.339 . 0 0 "[ . 1 . 2]" 1 1035 1 90 GLY QA 1 91 LEU H 3.080 . 3.080 2.226 2.142 2.305 . 0 0 "[ . 1 . 2]" 1 1036 1 91 LEU QD 1 92 THR H 6.070 . 6.070 3.484 2.323 4.109 . 0 0 "[ . 1 . 2]" 1 1037 1 93 PRO QB 1 94 SER H 3.770 . 3.770 3.012 2.339 3.441 . 0 0 "[ . 1 . 2]" 1 1038 1 94 SER QB 1 95 GLY H 3.860 . 3.860 3.084 2.415 3.611 . 0 0 "[ . 1 . 2]" 1 1039 1 96 LYS H 1 96 LYS QB 3.880 . 3.880 2.621 2.092 3.400 . 0 0 "[ . 1 . 2]" 1 1040 1 96 LYS QB 1 97 ALA H 4.160 . 4.160 2.952 2.426 3.756 . 0 0 "[ . 1 . 2]" 1 1041 1 98 ALA MB 1 153 LEU QB 7.400 . 7.400 3.680 2.477 4.844 . 0 0 "[ . 1 . 2]" 1 1042 1 100 SER QB 1 112 VAL MG1 7.400 . 7.400 3.822 1.877 4.989 . 0 0 "[ . 1 . 2]" 1 1043 1 100 SER QB 1 112 VAL MG2 6.020 . 6.020 2.679 1.424 4.447 . 0 0 "[ . 1 . 2]" 1 1044 1 100 SER QB 1 116 LEU HA 6.380 . 6.380 4.844 3.315 5.728 . 0 0 "[ . 1 . 2]" 1 1045 1 100 SER QB 1 116 LEU MD2 6.110 . 6.110 2.459 1.773 4.536 . 0 0 "[ . 1 . 2]" 1 1046 1 101 LEU QB 1 136 LEU QD 8.950 . 8.950 5.282 4.539 5.864 . 0 0 "[ . 1 . 2]" 1 1047 1 102 TYR QB 1 112 VAL MG2 7.400 . 7.400 3.131 1.866 4.675 . 0 0 "[ . 1 . 2]" 1 1048 1 103 ILE MG 1 146 GLN QG 7.400 . 7.400 4.689 2.549 5.539 . 0 0 "[ . 1 . 2]" 1 1049 1 103 ILE MD 1 148 ARG QB 7.400 . 7.400 3.845 2.610 5.430 . 0 0 "[ . 1 . 2]" 1 1050 1 106 TYR QE 1 133 GLU QB 8.510 . 8.510 4.974 3.187 6.254 . 0 0 "[ . 1 . 2]" 1 1051 1 106 TYR QE 1 133 GLU QG 8.510 . 8.510 5.039 3.808 6.186 . 0 0 "[ . 1 . 2]" 1 1052 1 109 ILE QG 1 113 TYR QE 8.510 . 8.510 4.391 1.971 6.280 . 0 0 "[ . 1 . 2]" 1 1053 1 109 ILE QG 1 151 VAL MG1 7.400 . 7.400 3.814 2.446 5.325 . 0 0 "[ . 1 . 2]" 1 1054 1 109 ILE QG 1 151 VAL MG2 7.400 . 7.400 3.670 2.536 4.567 . 0 0 "[ . 1 . 2]" 1 1055 1 110 GLU H 1 110 GLU QB 3.360 . 3.360 2.398 2.187 2.859 . 0 0 "[ . 1 . 2]" 1 1056 1 110 GLU HA 1 113 TYR QB 6.380 . 6.380 2.312 1.517 2.731 . 0 0 "[ . 1 . 2]" 1 1057 1 111 ALA HA 1 114 ASP QB 4.990 . 4.990 3.141 2.473 3.869 . 0 0 "[ . 1 . 2]" 1 1058 1 113 TYR QB 1 114 ASP H 4.320 . 4.320 2.592 2.384 2.759 . 0 0 "[ . 1 . 2]" 1 1059 1 114 ASP H 1 114 ASP QB 3.760 . 3.760 2.238 2.140 2.390 . 0 0 "[ . 1 . 2]" 1 1060 1 114 ASP QB 1 115 ALA H 3.820 . 3.820 2.644 2.294 2.976 . 0 0 "[ . 1 . 2]" 1 1061 1 116 LEU H 1 116 LEU QB 3.730 . 3.730 2.301 2.041 2.712 . 0 0 "[ . 1 . 2]" 1 1062 1 116 LEU HA 1 119 TRP QB 5.140 . 5.140 2.865 2.183 3.993 . 0 0 "[ . 1 . 2]" 1 1063 1 118 LYS HA 1 121 ASP QB 4.320 . 4.320 2.844 2.175 3.890 . 0 0 "[ . 1 . 2]" 1 1064 1 118 LYS QG 1 119 TRP H 6.380 . 6.380 3.703 2.102 4.641 . 0 0 "[ . 1 . 2]" 1 1065 1 118 LYS QG 1 121 ASP QB 7.260 . 7.260 4.249 3.416 5.100 . 0 0 "[ . 1 . 2]" 1 1066 1 119 TRP HA 1 122 ASP QB 6.380 . 6.380 2.886 2.313 4.236 . 0 0 "[ . 1 . 2]" 1 1067 1 121 ASP QB 1 122 ASP H 3.910 . 3.910 2.601 2.317 2.800 . 0 0 "[ . 1 . 2]" 1 1068 1 122 ASP H 1 122 ASP QB 3.240 . 3.240 2.249 2.215 2.290 . 0 0 "[ . 1 . 2]" 1 1069 1 122 ASP QB 1 123 ASN H 4.400 . 4.400 2.666 2.352 3.479 . 0 0 "[ . 1 . 2]" 1 1070 1 123 ASN H 1 123 ASN QB 3.710 . 3.710 2.285 2.161 2.531 . 0 0 "[ . 1 . 2]" 1 1071 1 125 PHE HB3 1 155 LEU QB 6.380 . 6.380 3.829 2.223 5.736 . 0 0 "[ . 1 . 2]" 1 1072 1 125 PHE QD 1 155 LEU QB 8.510 . 8.510 4.304 2.323 6.071 . 0 0 "[ . 1 . 2]" 1 1073 1 132 TYR QD 1 152 SER QB 8.510 . 8.510 3.111 2.181 4.468 . 0 0 "[ . 1 . 2]" 1 1074 1 136 LEU QD 1 137 ASP H 8.070 . 8.070 3.174 2.067 4.346 . 0 0 "[ . 1 . 2]" 1 1075 1 136 LEU QD 1 149 THR HA 8.070 . 8.070 3.062 2.029 4.842 . 0 0 "[ . 1 . 2]" 1 1076 1 138 ASN H 1 138 ASN QB 3.750 . 3.750 2.472 2.202 3.000 . 0 0 "[ . 1 . 2]" 1 1077 1 138 ASN QB 1 141 GLU QG 7.260 . 7.260 4.001 2.165 5.574 . 0 0 "[ . 1 . 2]" 1 1078 1 140 ALA MB 1 141 GLU QG 7.400 . 7.400 4.279 2.804 5.443 . 0 0 "[ . 1 . 2]" 1 1079 1 141 GLU H 1 141 GLU QB 3.620 . 3.620 2.479 2.189 3.309 . 0 0 "[ . 1 . 2]" 1 1080 1 141 GLU QB 1 142 THR H 4.080 . 4.080 2.868 1.812 3.794 . 0 0 "[ . 1 . 2]" 1 1081 1 142 THR MG 1 146 GLN QB 7.400 . 7.400 4.047 2.591 5.277 . 0 0 "[ . 1 . 2]" 1 1082 1 143 ALA MB 1 146 GLN QB 7.400 . 7.400 2.630 1.660 4.266 . 0 0 "[ . 1 . 2]" 1 1083 1 143 ALA MB 1 146 GLN QG 6.620 . 6.620 3.305 1.996 4.417 . 0 0 "[ . 1 . 2]" 1 1084 1 144 PRO HA 1 147 LEU QB 6.380 . 6.380 4.206 2.201 5.560 . 0 0 "[ . 1 . 2]" 1 1085 1 144 PRO QB 1 145 ASP H 3.830 . 3.830 3.010 2.130 3.316 . 0 0 "[ . 1 . 2]" 1 1086 1 145 ASP H 1 145 ASP QB 3.590 . 3.590 2.905 2.247 3.093 . 0 0 "[ . 1 . 2]" 1 1087 1 146 GLN H 1 146 GLN QB 3.670 . 3.670 2.466 2.268 2.976 . 0 0 "[ . 1 . 2]" 1 1088 1 146 GLN H 1 147 LEU QB 5.080 . 5.080 4.254 3.810 4.562 . 0 0 "[ . 1 . 2]" 1 1089 1 147 LEU H 1 147 LEU QB 3.620 . 3.620 2.357 2.144 2.798 . 0 0 "[ . 1 . 2]" 1 1090 1 153 LEU H 1 153 LEU QB 3.800 . 3.800 2.649 2.219 3.291 . 0 0 "[ . 1 . 2]" 1 1091 1 153 LEU QB 1 155 LEU MD2 6.750 . 6.750 4.360 1.645 4.974 . 0 0 "[ . 1 . 2]" 1 1092 1 154 MET QB 1 159 LEU H 6.380 . 6.380 4.880 3.737 5.752 . 0 0 "[ . 1 . 2]" 1 1093 1 154 MET QB 1 159 LEU QD 8.110 . 8.110 4.150 2.717 5.243 . 0 0 "[ . 1 . 2]" 1 1094 1 155 LEU QB 1 156 HIS H 4.110 . 4.110 3.072 2.075 3.946 . 0 0 "[ . 1 . 2]" 1 1095 1 156 HIS H 1 156 HIS QB 3.520 . 3.520 2.673 2.105 3.126 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 44 _Distance_constraint_stats_list.Viol_count 236 _Distance_constraint_stats_list.Viol_total 147.838 _Distance_constraint_stats_list.Viol_max 0.151 _Distance_constraint_stats_list.Viol_rms 0.0195 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0084 _Distance_constraint_stats_list.Viol_average_violations_only 0.0313 _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 12 LYS 0.057 0.050 20 0 "[ . 1 . 2]" 1 14 LEU 0.019 0.011 19 0 "[ . 1 . 2]" 1 19 ALA 0.267 0.053 16 0 "[ . 1 . 2]" 1 20 LEU 0.522 0.078 10 0 "[ . 1 . 2]" 1 21 LEU 0.392 0.055 13 0 "[ . 1 . 2]" 1 24 THR 0.589 0.151 10 0 "[ . 1 . 2]" 1 26 THR 0.277 0.112 20 0 "[ . 1 . 2]" 1 43 LEU 0.071 0.028 1 0 "[ . 1 . 2]" 1 47 ALA 0.071 0.028 1 0 "[ . 1 . 2]" 1 57 PRO 0.562 0.075 15 0 "[ . 1 . 2]" 1 58 PHE 0.693 0.074 20 0 "[ . 1 . 2]" 1 59 ALA 0.157 0.024 18 0 "[ . 1 . 2]" 1 60 ARG 0.703 0.098 10 0 "[ . 1 . 2]" 1 61 TYR 0.860 0.104 16 0 "[ . 1 . 2]" 1 62 PHE 0.887 0.103 18 0 "[ . 1 . 2]" 1 69 PHE 0.277 0.112 20 0 "[ . 1 . 2]" 1 70 GLU 0.887 0.103 18 0 "[ . 1 . 2]" 1 71 VAL 0.589 0.151 10 0 "[ . 1 . 2]" 1 72 GLU 0.703 0.098 10 0 "[ . 1 . 2]" 1 74 GLY 0.693 0.074 20 0 "[ . 1 . 2]" 1 75 PHE 0.522 0.078 10 0 "[ . 1 . 2]" 1 88 VAL 0.392 0.055 13 0 "[ . 1 . 2]" 1 90 GLY 0.267 0.053 16 0 "[ . 1 . 2]" 1 95 GLY 0.019 0.011 19 0 "[ . 1 . 2]" 1 97 ALA 0.057 0.050 20 0 "[ . 1 . 2]" 1 98 ALA 0.900 0.114 4 0 "[ . 1 . 2]" 1 110 GLU 0.391 0.052 19 0 "[ . 1 . 2]" 1 114 ASP 0.391 0.052 19 0 "[ . 1 . 2]" 1 131 ALA 0.860 0.104 16 0 "[ . 1 . 2]" 1 132 TYR 0.046 0.029 16 0 "[ . 1 . 2]" 1 133 GLU 0.157 0.024 18 0 "[ . 1 . 2]" 1 135 TYR 0.562 0.075 15 0 "[ . 1 . 2]" 1 152 SER 0.046 0.029 16 0 "[ . 1 . 2]" 1 153 LEU 0.900 0.114 4 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 14 LEU H 1 95 GLY O 2.000 . 2.000 1.843 1.717 2.011 0.011 19 0 "[ . 1 . 2]" 2 2 1 14 LEU N 1 95 GLY O 3.000 . 3.000 2.779 2.688 2.909 . 0 0 "[ . 1 . 2]" 2 3 1 19 ALA H 1 90 GLY O 2.000 . 2.000 1.823 1.678 2.027 0.027 7 0 "[ . 1 . 2]" 2 4 1 19 ALA N 1 90 GLY O 3.000 . 3.000 2.790 2.656 3.007 0.007 7 0 "[ . 1 . 2]" 2 5 1 21 LEU H 1 88 VAL O 2.000 . 2.000 1.869 1.731 2.032 0.032 10 0 "[ . 1 . 2]" 2 6 1 21 LEU N 1 88 VAL O 3.000 . 3.000 2.833 2.713 3.016 0.016 10 0 "[ . 1 . 2]" 2 7 1 24 THR H 1 71 VAL O 2.000 . 2.000 1.949 1.709 2.151 0.151 10 0 "[ . 1 . 2]" 2 8 1 24 THR N 1 71 VAL O 3.000 . 3.000 2.882 2.646 3.020 0.020 5 0 "[ . 1 . 2]" 2 9 1 26 THR H 1 69 PHE O 2.000 . 2.000 1.941 1.758 2.112 0.112 20 0 "[ . 1 . 2]" 2 10 1 26 THR N 1 69 PHE O 3.000 . 3.000 2.885 2.723 3.034 0.034 9 0 "[ . 1 . 2]" 2 11 1 43 LEU O 1 47 ALA H 2.000 . 2.000 1.893 1.684 2.028 0.028 1 0 "[ . 1 . 2]" 2 12 1 43 LEU O 1 47 ALA N 3.000 . 3.000 2.830 2.660 2.955 . 0 0 "[ . 1 . 2]" 2 13 1 58 PHE H 1 74 GLY O 2.000 . 2.000 1.974 1.707 2.074 0.074 20 0 "[ . 1 . 2]" 2 14 1 58 PHE N 1 74 GLY O 3.000 . 3.000 2.935 2.678 3.052 0.052 20 0 "[ . 1 . 2]" 2 15 1 59 ALA H 1 133 GLU O 2.000 . 2.000 1.934 1.681 2.024 0.024 18 0 "[ . 1 . 2]" 2 16 1 59 ALA N 1 133 GLU O 3.000 . 3.000 2.779 2.643 2.885 . 0 0 "[ . 1 . 2]" 2 17 1 60 ARG H 1 72 GLU O 2.000 . 2.000 1.936 1.669 2.086 0.086 14 0 "[ . 1 . 2]" 2 18 1 60 ARG N 1 72 GLU O 3.000 . 3.000 2.862 2.625 3.001 0.001 14 0 "[ . 1 . 2]" 2 19 1 61 TYR H 1 131 ALA O 2.000 . 2.000 1.767 1.602 2.023 0.023 14 0 "[ . 1 . 2]" 2 20 1 61 TYR N 1 131 ALA O 3.000 . 3.000 2.721 2.580 2.941 . 0 0 "[ . 1 . 2]" 2 21 1 62 PHE O 1 70 GLU H 2.000 . 2.000 2.007 1.683 2.103 0.103 18 0 "[ . 1 . 2]" 2 22 1 62 PHE O 1 70 GLU N 3.000 . 3.000 2.939 2.666 3.022 0.022 10 0 "[ . 1 . 2]" 2 23 1 60 ARG O 1 72 GLU H 2.000 . 2.000 1.915 1.641 2.098 0.098 10 0 "[ . 1 . 2]" 2 24 1 60 ARG O 1 72 GLU N 3.000 . 3.000 2.848 2.622 3.001 0.001 3 0 "[ . 1 . 2]" 2 25 1 20 LEU O 1 75 PHE H 2.000 . 2.000 2.007 1.834 2.078 0.078 10 0 "[ . 1 . 2]" 2 26 1 20 LEU O 1 75 PHE N 3.000 . 3.000 2.940 2.814 3.032 0.032 10 0 "[ . 1 . 2]" 2 27 1 21 LEU O 1 88 VAL H 2.000 . 2.000 1.985 1.766 2.055 0.055 13 0 "[ . 1 . 2]" 2 28 1 21 LEU O 1 88 VAL N 3.000 . 3.000 2.913 2.735 3.018 0.018 2 0 "[ . 1 . 2]" 2 29 1 19 ALA O 1 90 GLY H 2.000 . 2.000 1.928 1.706 2.053 0.053 16 0 "[ . 1 . 2]" 2 30 1 19 ALA O 1 90 GLY N 3.000 . 3.000 2.815 2.678 2.949 . 0 0 "[ . 1 . 2]" 2 31 1 12 LYS O 1 97 ALA H 2.000 . 2.000 1.873 1.704 2.050 0.050 20 0 "[ . 1 . 2]" 2 32 1 12 LYS O 1 97 ALA N 3.000 . 3.000 2.819 2.663 2.977 . 0 0 "[ . 1 . 2]" 2 33 1 110 GLU O 1 114 ASP H 2.000 . 2.000 2.008 1.935 2.052 0.052 19 0 "[ . 1 . 2]" 2 34 1 110 GLU O 1 114 ASP N 3.000 . 3.000 2.925 2.818 3.009 0.009 1 0 "[ . 1 . 2]" 2 35 1 61 TYR O 1 131 ALA H 2.000 . 2.000 2.013 1.755 2.104 0.104 16 0 "[ . 1 . 2]" 2 36 1 61 TYR O 1 131 ALA N 3.000 . 3.000 2.968 2.731 3.032 0.032 17 0 "[ . 1 . 2]" 2 37 1 132 TYR H 1 152 SER O 2.000 . 2.000 1.844 1.640 2.029 0.029 16 0 "[ . 1 . 2]" 2 38 1 132 TYR N 1 152 SER O 3.000 . 3.000 2.767 2.588 2.968 . 0 0 "[ . 1 . 2]" 2 39 1 59 ALA O 1 133 GLU H 2.000 . 2.000 1.877 1.723 2.020 0.020 7 0 "[ . 1 . 2]" 2 40 1 59 ALA O 1 133 GLU N 3.000 . 3.000 2.806 2.594 2.952 . 0 0 "[ . 1 . 2]" 2 41 1 57 PRO O 1 135 TYR H 2.000 . 2.000 2.003 1.848 2.075 0.075 15 0 "[ . 1 . 2]" 2 42 1 57 PRO O 1 135 TYR N 3.000 . 3.000 2.932 2.825 3.025 0.025 14 0 "[ . 1 . 2]" 2 43 1 98 ALA O 1 153 LEU H 2.000 . 2.000 2.031 1.788 2.114 0.114 4 0 "[ . 1 . 2]" 2 44 1 98 ALA O 1 153 LEU N 3.000 . 3.000 2.941 2.768 3.015 0.015 4 0 "[ . 1 . 2]" 2 stop_ save_
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