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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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612214 |
2rvk ![]() ![]() |
11546 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvk 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 907 _Distance_constraint_stats_list.Viol_count 856 _Distance_constraint_stats_list.Viol_total 1170.938 _Distance_constraint_stats_list.Viol_max 0.485 _Distance_constraint_stats_list.Viol_rms 0.0559 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0129 _Distance_constraint_stats_list.Viol_average_violations_only 0.1368 _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 12 LYS 0.000 0.000 . 0 "[ . 1]" 1 16 SER 0.111 0.091 10 0 "[ . 1]" 1 17 ALA 0.000 0.000 . 0 "[ . 1]" 1 18 LEU 0.111 0.091 10 0 "[ . 1]" 1 19 ARG 1.516 0.341 5 0 "[ . 1]" 1 20 ALA 0.000 0.000 . 0 "[ . 1]" 1 21 LEU 0.167 0.057 6 0 "[ . 1]" 1 22 LEU 3.753 0.360 1 0 "[ . 1]" 1 23 GLU 0.106 0.106 6 0 "[ . 1]" 1 25 LYS 0.000 0.000 . 0 "[ . 1]" 1 26 GLU 0.114 0.052 4 0 "[ . 1]" 1 27 ASN 0.114 0.052 4 0 "[ . 1]" 1 28 SER 0.000 0.000 . 0 "[ . 1]" 1 29 SER 0.000 0.000 . 0 "[ . 1]" 1 30 GLN 0.000 0.000 . 0 "[ . 1]" 1 31 ASN 0.109 0.038 3 0 "[ . 1]" 1 32 GLY 0.197 0.087 1 0 "[ . 1]" 1 33 PRO 0.136 0.053 2 0 "[ . 1]" 1 34 LEU 4.173 0.346 8 0 "[ . 1]" 1 35 ALA 0.244 0.057 10 0 "[ . 1]" 1 36 GLU 0.096 0.096 6 0 "[ . 1]" 1 37 ASN 0.256 0.099 1 0 "[ . 1]" 1 38 PHE 2.528 0.238 2 0 "[ . 1]" 1 39 ALA 1.930 0.238 2 0 "[ . 1]" 1 40 THR 0.009 0.009 3 0 "[ . 1]" 1 41 PHE 6.078 0.399 10 0 "[ . 1]" 1 42 SER 0.028 0.028 10 0 "[ . 1]" 1 43 GLY 0.180 0.046 3 0 "[ . 1]" 1 44 HIS 0.000 0.000 . 0 "[ . 1]" 1 45 ALA 0.000 0.000 . 0 "[ . 1]" 1 46 GLU 0.000 0.000 . 0 "[ . 1]" 1 48 ASN 0.000 0.000 . 0 "[ . 1]" 1 49 ALA 0.430 0.051 4 0 "[ . 1]" 1 50 LEU 5.682 0.449 3 0 "[ . 1]" 1 51 ARG 0.000 0.000 . 0 "[ . 1]" 1 52 LEU 1.708 0.113 3 0 "[ . 1]" 1 53 ASN 0.787 0.088 1 0 "[ . 1]" 1 54 ILE 7.667 0.479 10 0 "[ . 1]" 1 55 TYR 1.228 0.163 4 0 "[ . 1]" 1 56 PHE 0.471 0.104 5 0 "[ . 1]" 1 57 PRO 0.000 0.000 . 0 "[ . 1]" 1 58 SER 0.505 0.150 1 0 "[ . 1]" 1 59 SER 0.716 0.150 1 0 "[ . 1]" 1 60 GLU 0.000 0.000 . 0 "[ . 1]" 1 61 SER 0.000 0.000 . 0 "[ . 1]" 1 62 PRO 0.155 0.067 4 0 "[ . 1]" 1 63 SER 0.155 0.067 4 0 "[ . 1]" 1 64 LYS 0.000 0.000 . 0 "[ . 1]" 1 65 PRO 0.251 0.056 8 0 "[ . 1]" 1 66 LEU 9.212 0.479 10 0 "[ . 1]" 1 67 PHE 0.492 0.110 10 0 "[ . 1]" 1 68 VAL 0.146 0.064 3 0 "[ . 1]" 1 69 GLU 0.512 0.110 10 0 "[ . 1]" 1 70 LEU 0.000 0.000 . 0 "[ . 1]" 1 71 ARG 7.292 0.419 7 0 "[ . 1]" 1 72 LYS 0.000 0.000 . 0 "[ . 1]" 1 73 ASN 1.201 0.225 1 0 "[ . 1]" 1 74 VAL 13.569 0.419 7 0 "[ . 1]" 1 75 LEU 0.704 0.138 7 0 "[ . 1]" 1 76 VAL 2.937 0.238 7 0 "[ . 1]" 1 77 SER 3.560 0.373 3 0 "[ . 1]" 1 78 GLU 0.085 0.075 9 0 "[ . 1]" 1 79 ALA 1.242 0.150 1 0 "[ . 1]" 1 80 ILE 3.226 0.351 6 0 "[ . 1]" 1 81 GLY 0.034 0.034 9 0 "[ . 1]" 1 82 TYR 2.226 0.142 7 0 "[ . 1]" 1 83 ILE 0.808 0.097 5 0 "[ . 1]" 1 84 LEU 3.487 0.438 6 0 "[ . 1]" 1 85 LEU 0.528 0.134 2 0 "[ . 1]" 1 86 GLN 0.620 0.134 2 0 "[ . 1]" 1 87 TYR 0.460 0.077 4 0 "[ . 1]" 1 88 VAL 0.313 0.220 2 0 "[ . 1]" 1 89 ASN 0.456 0.077 4 0 "[ . 1]" 1 90 GLN 0.243 0.140 8 0 "[ . 1]" 1 91 GLN 0.000 0.000 . 0 "[ . 1]" 1 92 LEU 0.240 0.140 8 0 "[ . 1]" 1 93 VAL 0.416 0.112 5 0 "[ . 1]" 1 95 PRO 0.025 0.012 1 0 "[ . 1]" 1 96 ILE 0.500 0.168 10 0 "[ . 1]" 1 97 GLU 1.966 0.295 4 0 "[ . 1]" 1 98 ASP 1.256 0.114 1 0 "[ . 1]" 1 99 GLU 1.000 0.200 9 0 "[ . 1]" 1 100 ALA 1.901 0.295 4 0 "[ . 1]" 1 101 GLN 1.581 0.197 9 0 "[ . 1]" 1 104 ASN 0.240 0.066 3 0 "[ . 1]" 1 105 TYR 1.343 0.201 5 0 "[ . 1]" 1 106 TRP 4.093 0.433 2 0 "[ . 1]" 1 107 ASN 6.699 0.485 10 0 "[ . 1]" 1 108 LEU 4.149 0.439 8 0 "[ . 1]" 1 109 ARG 7.912 0.412 1 0 "[ . 1]" 1 110 ILE 0.347 0.161 3 0 "[ . 1]" 1 111 VAL 1.494 0.205 7 0 "[ . 1]" 1 112 GLU 0.677 0.195 5 0 "[ . 1]" 1 113 ASP 0.299 0.195 5 0 "[ . 1]" 1 114 ASP 0.502 0.138 6 0 "[ . 1]" 1 115 GLY 0.226 0.079 7 0 "[ . 1]" 1 116 GLU 0.631 0.081 4 0 "[ . 1]" 1 117 LEU 1.340 0.166 8 0 "[ . 1]" 1 118 ASP 0.501 0.161 3 0 "[ . 1]" 1 119 GLU 0.000 0.000 . 0 "[ . 1]" 1 120 ASP 0.000 0.000 . 0 "[ . 1]" 1 121 PHE 0.000 0.000 . 0 "[ . 1]" 1 122 PRO 2.233 0.272 1 0 "[ . 1]" 1 123 ALA 0.561 0.098 4 0 "[ . 1]" 1 124 LEU 2.990 0.272 1 0 "[ . 1]" 1 125 ASP 4.593 0.209 2 0 "[ . 1]" 1 126 ARG 1.078 0.284 8 0 "[ . 1]" 1 127 VAL 4.376 0.362 4 0 "[ . 1]" 1 128 GLY 5.449 0.373 3 0 "[ . 1]" 1 129 PRO 0.699 0.342 7 0 "[ . 1]" 1 130 LEU 5.766 0.363 10 0 "[ . 1]" 1 131 SER 0.978 0.194 9 0 "[ . 1]" 1 132 LYS 1.689 0.478 8 0 "[ . 1]" 1 133 PHE 0.000 0.000 . 0 "[ . 1]" 1 134 GLY 0.031 0.015 5 0 "[ . 1]" 1 135 PHE 0.031 0.015 5 0 "[ . 1]" 1 136 ASP 0.449 0.088 1 0 "[ . 1]" 1 137 ALA 1.224 0.113 3 0 "[ . 1]" 1 138 PHE 3.195 0.230 6 0 "[ . 1]" 1 139 ALA 0.002 0.002 6 0 "[ . 1]" 1 140 LEU 8.653 0.433 2 0 "[ . 1]" 1 141 VAL 12.828 0.485 10 0 "[ . 1]" 1 142 LYS 0.712 0.181 2 0 "[ . 1]" 1 143 ALA 0.492 0.181 2 0 "[ . 1]" 1 144 THR 0.101 0.034 4 0 "[ . 1]" 1 145 PRO 0.183 0.183 3 0 "[ . 1]" 1 146 ALA 0.047 0.038 10 0 "[ . 1]" 1 147 GLN 0.639 0.134 8 0 "[ . 1]" 1 148 ILE 0.456 0.183 3 0 "[ . 1]" 1 149 LYS 0.000 0.000 . 0 "[ . 1]" 1 150 GLU 0.592 0.134 8 0 "[ . 1]" 1 151 ASN 0.000 0.000 . 0 "[ . 1]" 1 152 GLN 0.000 0.000 . 0 "[ . 1]" 1 153 ALA 0.000 0.000 . 0 "[ . 1]" 1 154 ALA 0.382 0.099 1 0 "[ . 1]" 1 155 TYR 0.000 0.000 . 0 "[ . 1]" 1 156 PRO 0.382 0.099 1 0 "[ . 1]" 1 157 PHE 0.000 0.000 . 0 "[ . 1]" 1 158 LYS 0.000 0.000 . 0 "[ . 1]" 1 159 SER 0.000 0.000 . 0 "[ . 1]" 1 160 LYS 0.000 0.000 . 0 "[ . 1]" 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 12 LYS H 1 12 LYS QD 4.250 . 4.250 3.779 3.515 4.167 . 0 0 "[ . 1]" 1 2 1 16 SER HA 1 17 ALA MB 4.950 . 4.950 4.279 3.879 4.887 . 0 0 "[ . 1]" 1 3 1 16 SER HA 1 18 LEU H 4.220 . 4.220 3.685 3.019 4.311 0.091 10 0 "[ . 1]" 1 4 1 16 SER QB 1 18 LEU H 4.560 . 4.560 3.845 2.866 4.531 . 0 0 "[ . 1]" 1 5 1 17 ALA MB 1 18 LEU H 4.300 . 4.300 3.013 1.858 3.696 . 0 0 "[ . 1]" 1 6 1 18 LEU H 1 18 LEU QB 3.430 . 3.430 2.451 2.232 3.250 . 0 0 "[ . 1]" 1 7 1 18 LEU QB 1 18 LEU QD 2.590 . 2.590 1.927 1.905 1.947 . 0 0 "[ . 1]" 1 8 1 19 ARG HA 1 19 ARG QD 3.760 . 3.760 3.604 2.195 4.101 0.341 5 0 "[ . 1]" 1 9 1 19 ARG QB 1 19 ARG QD 3.290 . 3.290 2.199 2.107 2.279 . 0 0 "[ . 1]" 1 10 1 20 ALA H 1 20 ALA MB 3.650 . 3.650 2.568 2.186 2.858 . 0 0 "[ . 1]" 1 11 1 21 LEU H 1 21 LEU QD 4.940 . 4.940 3.089 1.804 3.899 . 0 0 "[ . 1]" 1 12 1 21 LEU HA 1 22 LEU H 3.510 . 3.510 2.866 2.133 3.567 0.057 6 0 "[ . 1]" 1 13 1 21 LEU QB 1 22 LEU H 4.070 . 4.070 3.032 2.165 3.810 . 0 0 "[ . 1]" 1 14 1 21 LEU QD 1 22 LEU H 4.800 . 4.800 3.726 2.060 4.533 . 0 0 "[ . 1]" 1 15 1 22 LEU H 1 22 LEU QD 5.090 . 5.090 2.907 1.742 3.285 . 0 0 "[ . 1]" 1 16 1 22 LEU HA 1 22 LEU QD 3.320 . 3.320 2.217 2.122 2.496 . 0 0 "[ . 1]" 1 17 1 22 LEU HA 1 22 LEU HG 3.850 . 3.850 2.825 2.345 3.087 . 0 0 "[ . 1]" 1 18 1 22 LEU HA 1 23 GLU H 3.420 . 3.420 2.497 2.131 3.526 0.106 6 0 "[ . 1]" 1 19 1 22 LEU QB 1 22 LEU QD 1.550 . 1.550 1.898 1.888 1.910 0.360 1 0 "[ . 1]" 1 20 1 22 LEU QB 1 23 GLU H 4.060 . 4.060 3.039 1.807 3.841 . 0 0 "[ . 1]" 1 21 1 22 LEU HB2 1 22 LEU MD1 3.520 . 3.520 2.263 2.224 2.317 . 0 0 "[ . 1]" 1 22 1 22 LEU HB2 1 22 LEU MD2 3.520 . 3.520 3.038 2.339 3.206 . 0 0 "[ . 1]" 1 23 1 22 LEU HB3 1 22 LEU MD1 3.520 . 3.520 2.572 2.340 3.193 . 0 0 "[ . 1]" 1 24 1 22 LEU HB3 1 22 LEU MD2 3.520 . 3.520 2.245 2.211 2.310 . 0 0 "[ . 1]" 1 25 1 23 GLU H 1 23 GLU QB 3.720 . 3.720 2.524 2.256 3.257 . 0 0 "[ . 1]" 1 26 1 23 GLU H 1 23 GLU QG 4.580 . 4.580 3.273 1.995 4.144 . 0 0 "[ . 1]" 1 27 1 25 LYS HA 1 25 LYS QB 2.500 . 2.500 2.378 2.187 2.475 . 0 0 "[ . 1]" 1 28 1 26 GLU QG 1 27 ASN H 3.710 . 3.710 3.402 2.693 3.762 0.052 4 0 "[ . 1]" 1 29 1 28 SER HB2 1 29 SER H 4.510 . 4.510 3.524 2.416 4.359 . 0 0 "[ . 1]" 1 30 1 28 SER HB3 1 29 SER H 4.510 . 4.510 4.013 3.639 4.456 . 0 0 "[ . 1]" 1 31 1 29 SER HA 1 29 SER QB 2.620 . 2.620 2.267 2.177 2.436 . 0 0 "[ . 1]" 1 32 1 30 GLN HA 1 30 GLN QG 3.670 . 3.670 2.386 2.316 2.832 . 0 0 "[ . 1]" 1 33 1 31 ASN HA 1 32 GLY H 3.260 . 3.260 2.252 2.116 2.496 . 0 0 "[ . 1]" 1 34 1 31 ASN HA 1 35 ALA MB 3.970 . 3.970 2.799 2.326 3.254 . 0 0 "[ . 1]" 1 35 1 31 ASN QB 1 32 GLY H 3.760 . 3.760 2.978 2.241 3.782 0.022 9 0 "[ . 1]" 1 36 1 31 ASN QB 1 35 ALA MB 3.720 . 3.720 2.872 2.260 3.737 0.017 9 0 "[ . 1]" 1 37 1 31 ASN HB2 1 32 GLY H 4.380 . 4.380 3.915 2.260 4.410 0.030 9 0 "[ . 1]" 1 38 1 31 ASN HB2 1 35 ALA MB 4.490 . 4.490 3.984 2.718 4.528 0.038 3 0 "[ . 1]" 1 39 1 31 ASN HB3 1 32 GLY H 4.380 . 4.380 3.243 2.431 4.115 . 0 0 "[ . 1]" 1 40 1 31 ASN HB3 1 35 ALA MB 4.490 . 4.490 3.111 2.277 4.311 . 0 0 "[ . 1]" 1 41 1 32 GLY H 1 34 LEU H 5.370 . 5.370 5.147 4.833 5.457 0.087 1 0 "[ . 1]" 1 42 1 32 GLY H 1 35 ALA MB 4.450 . 4.450 1.740 1.596 2.058 . 0 0 "[ . 1]" 1 43 1 33 PRO QB 1 35 ALA H 5.020 . 5.020 4.664 4.491 4.792 . 0 0 "[ . 1]" 1 44 1 33 PRO QG 1 34 LEU H 3.620 . 3.620 2.911 2.052 3.673 0.053 2 0 "[ . 1]" 1 45 1 34 LEU H 1 34 LEU QB 3.680 . 3.680 2.346 2.232 2.567 . 0 0 "[ . 1]" 1 46 1 34 LEU H 1 34 LEU QD 3.990 . 3.990 2.622 1.907 3.131 . 0 0 "[ . 1]" 1 47 1 34 LEU H 1 35 ALA H 3.630 . 3.630 2.529 2.283 2.645 . 0 0 "[ . 1]" 1 48 1 34 LEU H 1 35 ALA MB 4.140 . 4.140 4.121 3.935 4.197 0.057 10 0 "[ . 1]" 1 49 1 34 LEU HA 1 34 LEU QD 3.360 . 3.360 2.281 2.124 2.524 . 0 0 "[ . 1]" 1 50 1 34 LEU HA 1 38 PHE QD 4.400 . 4.400 4.010 3.829 4.263 . 0 0 "[ . 1]" 1 51 1 34 LEU QB 1 34 LEU QD 1.570 . 1.570 1.901 1.890 1.916 0.346 8 0 "[ . 1]" 1 52 1 34 LEU QB 1 35 ALA H 3.500 . 3.500 2.647 2.519 3.015 . 0 0 "[ . 1]" 1 53 1 34 LEU QB 1 38 PHE HB2 4.560 . 4.560 4.501 4.153 4.658 0.098 9 0 "[ . 1]" 1 54 1 34 LEU HB2 1 34 LEU MD1 3.520 . 3.520 2.264 2.226 2.311 . 0 0 "[ . 1]" 1 55 1 34 LEU HB2 1 34 LEU MD2 3.520 . 3.520 2.865 2.330 3.208 . 0 0 "[ . 1]" 1 56 1 34 LEU HB3 1 34 LEU MD1 3.520 . 3.520 2.731 2.335 3.195 . 0 0 "[ . 1]" 1 57 1 34 LEU HB3 1 34 LEU MD2 3.520 . 3.520 2.264 2.200 2.328 . 0 0 "[ . 1]" 1 58 1 34 LEU QD 1 35 ALA H 4.560 . 4.560 3.929 3.689 4.219 . 0 0 "[ . 1]" 1 59 1 34 LEU QD 1 36 GLU H 5.190 . 5.190 5.018 4.823 5.286 0.096 6 0 "[ . 1]" 1 60 1 35 ALA H 1 35 ALA MB 3.130 . 3.130 2.110 2.013 2.221 . 0 0 "[ . 1]" 1 61 1 35 ALA H 1 37 ASN H 4.790 . 4.790 4.503 4.228 4.737 . 0 0 "[ . 1]" 1 62 1 35 ALA H 1 85 LEU QD 4.620 . 4.620 2.755 2.327 3.548 . 0 0 "[ . 1]" 1 63 1 35 ALA HA 1 39 ALA H 3.420 . 3.420 2.669 2.247 3.283 . 0 0 "[ . 1]" 1 64 1 35 ALA HA 1 85 LEU QD 3.010 . 3.010 2.263 2.037 2.730 . 0 0 "[ . 1]" 1 65 1 35 ALA MB 1 36 GLU H 3.500 . 3.500 2.866 2.668 2.993 . 0 0 "[ . 1]" 1 66 1 36 GLU H 1 36 GLU QB 3.210 . 3.210 2.303 2.218 2.448 . 0 0 "[ . 1]" 1 67 1 36 GLU H 1 36 GLU QG 4.130 . 4.130 3.293 2.098 4.051 . 0 0 "[ . 1]" 1 68 1 36 GLU H 1 37 ASN H 3.770 . 3.770 2.753 2.654 2.832 . 0 0 "[ . 1]" 1 69 1 37 ASN H 1 39 ALA H 4.230 . 4.230 4.060 3.632 4.329 0.099 1 0 "[ . 1]" 1 70 1 38 PHE HA 1 38 PHE QD 3.370 . 3.370 2.574 2.369 2.777 . 0 0 "[ . 1]" 1 71 1 38 PHE HA 1 40 THR H 4.150 . 4.150 3.902 3.622 4.159 0.009 3 0 "[ . 1]" 1 72 1 38 PHE HB2 1 39 ALA H 4.000 . 4.000 2.600 2.430 2.907 . 0 0 "[ . 1]" 1 73 1 38 PHE HB2 1 39 ALA MB 4.380 . 4.380 4.025 3.870 4.376 . 0 0 "[ . 1]" 1 74 1 38 PHE HB2 1 82 TYR HA 4.400 . 4.400 4.402 3.911 4.542 0.142 7 0 "[ . 1]" 1 75 1 38 PHE HB2 1 85 LEU QD 3.800 . 3.800 2.776 2.336 3.304 . 0 0 "[ . 1]" 1 76 1 38 PHE HB3 1 39 ALA H 4.490 . 4.490 3.476 3.316 3.597 . 0 0 "[ . 1]" 1 77 1 38 PHE HB3 1 39 ALA MB 4.500 . 4.500 4.664 4.592 4.738 0.238 2 0 "[ . 1]" 1 78 1 38 PHE HB3 1 85 LEU QD 4.100 . 4.100 3.458 3.096 3.954 . 0 0 "[ . 1]" 1 79 1 38 PHE QD 1 82 TYR H 4.850 . 4.850 4.468 3.795 4.911 0.061 2 0 "[ . 1]" 1 80 1 39 ALA H 1 39 ALA MB 3.200 . 3.200 2.195 2.149 2.233 . 0 0 "[ . 1]" 1 81 1 39 ALA H 1 40 THR H 3.550 . 3.550 2.751 2.694 2.797 . 0 0 "[ . 1]" 1 82 1 39 ALA H 1 85 LEU QD 5.100 . 5.100 3.905 3.547 4.534 . 0 0 "[ . 1]" 1 83 1 39 ALA MB 1 40 THR H 4.060 . 4.060 2.914 2.837 3.022 . 0 0 "[ . 1]" 1 84 1 39 ALA MB 1 41 PHE H 4.940 . 4.940 4.513 4.261 4.621 . 0 0 "[ . 1]" 1 85 1 39 ALA MB 1 82 TYR QD 5.460 . 5.460 5.109 4.576 5.493 0.033 4 0 "[ . 1]" 1 86 1 40 THR H 1 41 PHE H 4.240 . 4.240 2.631 2.562 2.690 . 0 0 "[ . 1]" 1 87 1 41 PHE H 1 41 PHE HB2 4.010 . 4.010 2.666 2.518 2.796 . 0 0 "[ . 1]" 1 88 1 41 PHE H 1 41 PHE QB 3.510 . 3.510 2.607 2.477 2.723 . 0 0 "[ . 1]" 1 89 1 41 PHE H 1 41 PHE HB3 4.010 . 4.010 3.697 3.664 3.745 . 0 0 "[ . 1]" 1 90 1 41 PHE HA 1 71 ARG QB 4.500 . 4.500 3.826 3.312 4.197 . 0 0 "[ . 1]" 1 91 1 41 PHE HA 1 71 ARG QD 3.900 . 3.900 2.832 2.271 3.960 0.060 4 0 "[ . 1]" 1 92 1 41 PHE HA 1 71 ARG QG 3.530 . 3.530 2.985 2.194 3.524 . 0 0 "[ . 1]" 1 93 1 41 PHE QB 1 71 ARG H 4.730 . 4.730 3.774 2.640 4.404 . 0 0 "[ . 1]" 1 94 1 41 PHE QB 1 71 ARG QG 4.100 . 4.100 3.612 2.470 4.223 0.123 9 0 "[ . 1]" 1 95 1 41 PHE QB 1 74 VAL QG 1.560 . 1.560 1.908 1.857 1.959 0.399 10 0 "[ . 1]" 1 96 1 41 PHE HB2 1 74 VAL MG1 3.520 . 3.520 2.885 2.230 3.637 0.117 5 0 "[ . 1]" 1 97 1 41 PHE HB2 1 74 VAL MG2 3.520 . 3.520 3.706 3.629 3.816 0.296 10 0 "[ . 1]" 1 98 1 41 PHE HB3 1 74 VAL MG1 3.520 . 3.520 2.046 1.987 2.256 . 0 0 "[ . 1]" 1 99 1 41 PHE HB3 1 74 VAL MG2 3.520 . 3.520 2.969 2.164 3.639 0.119 8 0 "[ . 1]" 1 100 1 42 SER H 1 42 SER QB 3.580 . 3.580 2.430 2.262 2.640 . 0 0 "[ . 1]" 1 101 1 42 SER HA 1 43 GLY QA 4.570 . 4.570 4.301 4.240 4.368 . 0 0 "[ . 1]" 1 102 1 42 SER HA 1 49 ALA MB 4.910 . 4.910 4.696 4.184 4.938 0.028 10 0 "[ . 1]" 1 103 1 42 SER QB 1 43 GLY H 3.900 . 3.900 3.460 3.106 3.836 . 0 0 "[ . 1]" 1 104 1 43 GLY H 1 44 HIS H 4.330 . 4.330 2.845 2.553 3.278 . 0 0 "[ . 1]" 1 105 1 43 GLY H 1 71 ARG H 4.730 . 4.730 4.664 4.296 4.776 0.046 3 0 "[ . 1]" 1 106 1 43 GLY QA 1 49 ALA H 5.030 . 5.030 4.857 4.492 5.062 0.032 6 0 "[ . 1]" 1 107 1 43 GLY QA 1 49 ALA MB 3.470 . 3.470 2.720 2.319 2.963 . 0 0 "[ . 1]" 1 108 1 43 GLY QA 1 71 ARG H 5.340 . 5.340 4.504 3.903 4.985 . 0 0 "[ . 1]" 1 109 1 43 GLY QA 1 71 ARG HA 4.780 . 4.780 3.830 3.158 4.404 . 0 0 "[ . 1]" 1 110 1 44 HIS H 1 44 HIS QB 3.350 . 3.350 2.253 2.238 2.267 . 0 0 "[ . 1]" 1 111 1 44 HIS H 1 45 ALA H 4.510 . 4.510 2.708 2.617 2.766 . 0 0 "[ . 1]" 1 112 1 44 HIS H 1 49 ALA MB 5.500 . 5.500 4.996 4.566 5.372 . 0 0 "[ . 1]" 1 113 1 44 HIS QB 1 45 ALA H 4.420 . 4.420 2.517 2.462 2.685 . 0 0 "[ . 1]" 1 114 1 45 ALA H 1 46 GLU H 3.740 . 3.740 2.450 2.411 2.494 . 0 0 "[ . 1]" 1 115 1 48 ASN HA 1 49 ALA H 3.410 . 3.410 3.160 3.105 3.251 . 0 0 "[ . 1]" 1 116 1 49 ALA H 1 49 ALA MB 3.180 . 3.180 2.210 2.156 2.234 . 0 0 "[ . 1]" 1 117 1 49 ALA H 1 50 LEU H 4.580 . 4.580 4.617 4.600 4.631 0.051 4 0 "[ . 1]" 1 118 1 49 ALA HA 1 50 LEU H 3.280 . 3.280 2.231 2.182 2.277 . 0 0 "[ . 1]" 1 119 1 49 ALA HA 1 50 LEU QD 4.030 . 4.030 2.928 2.762 3.890 . 0 0 "[ . 1]" 1 120 1 49 ALA MB 1 50 LEU H 3.310 . 3.310 2.769 2.617 2.891 . 0 0 "[ . 1]" 1 121 1 49 ALA MB 1 70 LEU H 4.110 . 4.110 2.938 2.565 3.455 . 0 0 "[ . 1]" 1 122 1 50 LEU H 1 50 LEU QB 3.280 . 3.280 2.223 2.060 2.266 . 0 0 "[ . 1]" 1 123 1 50 LEU H 1 50 LEU QD 4.090 . 4.090 2.019 1.814 2.957 . 0 0 "[ . 1]" 1 124 1 50 LEU H 1 70 LEU H 4.220 . 4.220 3.425 2.934 3.848 . 0 0 "[ . 1]" 1 125 1 50 LEU H 1 71 ARG H 5.500 . 5.500 4.964 4.706 5.353 . 0 0 "[ . 1]" 1 126 1 50 LEU HA 1 50 LEU MD1 4.400 . 4.400 2.217 2.154 2.274 . 0 0 "[ . 1]" 1 127 1 50 LEU HA 1 50 LEU QD 3.630 . 3.630 2.023 1.960 2.257 . 0 0 "[ . 1]" 1 128 1 50 LEU HA 1 50 LEU MD2 4.400 . 4.400 2.433 2.156 3.792 . 0 0 "[ . 1]" 1 129 1 50 LEU HA 1 51 ARG H 3.050 . 3.050 2.183 2.152 2.231 . 0 0 "[ . 1]" 1 130 1 50 LEU QB 1 50 LEU QD 1.560 . 1.560 1.993 1.937 2.009 0.449 3 0 "[ . 1]" 1 131 1 50 LEU HB2 1 50 LEU MD1 3.520 . 3.520 3.119 2.432 3.209 . 0 0 "[ . 1]" 1 132 1 50 LEU HB2 1 50 LEU MD2 3.520 . 3.520 2.393 2.203 2.510 . 0 0 "[ . 1]" 1 133 1 50 LEU HB3 1 50 LEU MD1 3.520 . 3.520 2.306 2.180 3.197 . 0 0 "[ . 1]" 1 134 1 50 LEU HB3 1 50 LEU MD2 3.520 . 3.520 3.124 2.469 3.219 . 0 0 "[ . 1]" 1 135 1 50 LEU QD 1 51 ARG H 4.880 . 4.880 3.155 2.533 4.001 . 0 0 "[ . 1]" 1 136 1 50 LEU QD 1 131 SER HA 3.410 . 3.410 3.354 2.063 3.545 0.135 10 0 "[ . 1]" 1 137 1 50 LEU HG 1 131 SER HA 3.800 . 3.800 3.386 2.603 3.994 0.194 9 0 "[ . 1]" 1 138 1 51 ARG H 1 51 ARG QB 3.450 . 3.450 2.415 2.318 2.724 . 0 0 "[ . 1]" 1 139 1 51 ARG HA 1 52 LEU H 3.300 . 3.300 2.277 2.177 2.352 . 0 0 "[ . 1]" 1 140 1 51 ARG HA 1 52 LEU QB 4.710 . 4.710 3.951 3.908 3.989 . 0 0 "[ . 1]" 1 141 1 51 ARG QB 1 67 PHE QE 4.270 . 4.270 3.400 2.551 4.163 . 0 0 "[ . 1]" 1 142 1 52 LEU H 1 52 LEU MD2 4.090 . 4.090 4.034 3.870 4.163 0.073 9 0 "[ . 1]" 1 143 1 52 LEU HA 1 52 LEU HG 3.300 . 3.300 2.443 2.325 2.555 . 0 0 "[ . 1]" 1 144 1 52 LEU HA 1 53 ASN H 3.360 . 3.360 2.154 2.133 2.173 . 0 0 "[ . 1]" 1 145 1 52 LEU QB 1 136 ASP HA 5.180 . 5.180 3.679 3.428 4.167 . 0 0 "[ . 1]" 1 146 1 52 LEU MD1 1 53 ASN H 5.020 . 5.020 3.862 3.649 4.026 . 0 0 "[ . 1]" 1 147 1 52 LEU MD1 1 138 PHE HB2 3.280 . 3.280 3.179 2.874 3.301 0.021 7 0 "[ . 1]" 1 148 1 52 LEU MD2 1 53 ASN H 5.240 . 5.240 3.236 3.081 3.345 . 0 0 "[ . 1]" 1 149 1 52 LEU MD2 1 53 ASN HA 4.300 . 4.300 3.208 3.109 3.281 . 0 0 "[ . 1]" 1 150 1 52 LEU MD2 1 54 ILE QG 3.040 . 3.040 2.101 2.048 2.167 . 0 0 "[ . 1]" 1 151 1 52 LEU MD2 1 79 ALA HA 3.620 . 3.620 3.638 3.301 3.726 0.106 10 0 "[ . 1]" 1 152 1 52 LEU HG 1 53 ASN H 3.830 . 3.830 2.207 2.006 2.336 . 0 0 "[ . 1]" 1 153 1 52 LEU HG 1 53 ASN HB2 4.850 . 4.850 4.603 4.499 4.682 . 0 0 "[ . 1]" 1 154 1 52 LEU HG 1 136 ASP HA 3.980 . 3.980 4.017 3.902 4.068 0.088 1 0 "[ . 1]" 1 155 1 52 LEU HG 1 137 ALA H 4.510 . 4.510 4.566 4.463 4.623 0.113 3 0 "[ . 1]" 1 156 1 52 LEU HG 1 138 PHE H 4.510 . 4.510 4.093 3.928 4.234 . 0 0 "[ . 1]" 1 157 1 52 LEU HG 1 138 PHE HB2 4.190 . 4.190 3.974 3.770 4.166 . 0 0 "[ . 1]" 1 158 1 53 ASN H 1 53 ASN HB2 3.720 . 3.720 2.534 2.487 2.602 . 0 0 "[ . 1]" 1 159 1 53 ASN H 1 53 ASN HB3 4.070 . 4.070 3.715 3.686 3.754 . 0 0 "[ . 1]" 1 160 1 53 ASN H 1 53 ASN QD 4.520 . 4.520 4.089 3.779 4.264 . 0 0 "[ . 1]" 1 161 1 53 ASN H 1 54 ILE H 4.660 . 4.660 4.487 4.446 4.514 . 0 0 "[ . 1]" 1 162 1 53 ASN H 1 137 ALA HA 3.690 . 3.690 2.218 2.161 2.307 . 0 0 "[ . 1]" 1 163 1 53 ASN H 1 137 ALA MB 3.930 . 3.930 3.624 3.557 3.731 . 0 0 "[ . 1]" 1 164 1 53 ASN H 1 138 PHE H 4.110 . 4.110 3.792 3.728 3.865 . 0 0 "[ . 1]" 1 165 1 53 ASN HA 1 54 ILE H 3.350 . 3.350 2.311 2.291 2.329 . 0 0 "[ . 1]" 1 166 1 53 ASN HA 1 65 PRO HA 5.280 . 5.280 5.137 4.746 5.335 0.055 4 0 "[ . 1]" 1 167 1 53 ASN HA 1 65 PRO QB 4.170 . 4.170 3.322 2.988 3.719 . 0 0 "[ . 1]" 1 168 1 53 ASN HA 1 68 VAL MG2 4.810 . 4.810 4.768 4.592 4.874 0.064 3 0 "[ . 1]" 1 169 1 53 ASN HB2 1 137 ALA MB 3.520 . 3.520 2.462 2.295 2.657 . 0 0 "[ . 1]" 1 170 1 53 ASN HB2 1 138 PHE H 4.250 . 4.250 3.920 3.870 3.996 . 0 0 "[ . 1]" 1 171 1 53 ASN HB3 1 54 ILE H 4.030 . 4.030 2.713 2.654 2.810 . 0 0 "[ . 1]" 1 172 1 53 ASN HB3 1 54 ILE HA 4.400 . 4.400 4.453 4.418 4.488 0.088 1 0 "[ . 1]" 1 173 1 53 ASN HB3 1 55 TYR QE 4.980 . 4.980 2.409 2.323 2.580 . 0 0 "[ . 1]" 1 174 1 53 ASN HB3 1 137 ALA MB 3.820 . 3.820 3.583 3.360 3.849 0.029 9 0 "[ . 1]" 1 175 1 54 ILE H 1 54 ILE HB 3.890 . 3.890 2.603 2.579 2.623 . 0 0 "[ . 1]" 1 176 1 54 ILE H 1 54 ILE MD 4.190 . 4.190 3.944 3.777 4.238 0.048 2 0 "[ . 1]" 1 177 1 54 ILE H 1 54 ILE HG12 4.610 . 4.610 2.982 2.913 3.081 . 0 0 "[ . 1]" 1 178 1 54 ILE H 1 54 ILE QG 3.840 . 3.840 2.918 2.847 2.989 . 0 0 "[ . 1]" 1 179 1 54 ILE H 1 54 ILE HG13 4.610 . 4.610 4.165 4.005 4.257 . 0 0 "[ . 1]" 1 180 1 54 ILE HA 1 54 ILE MD 3.340 . 3.340 2.166 2.121 2.268 . 0 0 "[ . 1]" 1 181 1 54 ILE HA 1 54 ILE MG 3.470 . 3.470 2.369 2.337 2.397 . 0 0 "[ . 1]" 1 182 1 54 ILE HA 1 55 TYR H 3.370 . 3.370 2.206 2.145 2.284 . 0 0 "[ . 1]" 1 183 1 54 ILE HA 1 137 ALA HA 4.330 . 4.330 4.340 4.292 4.397 0.067 7 0 "[ . 1]" 1 184 1 54 ILE HA 1 138 PHE H 3.850 . 3.850 2.824 2.772 2.864 . 0 0 "[ . 1]" 1 185 1 54 ILE HB 1 66 LEU QB 3.410 . 3.410 2.243 2.199 2.371 . 0 0 "[ . 1]" 1 186 1 54 ILE HB 1 66 LEU QD 3.520 . 3.520 3.543 3.385 3.609 0.089 9 0 "[ . 1]" 1 187 1 54 ILE HB 1 138 PHE H 5.500 . 5.500 5.668 5.616 5.730 0.230 6 0 "[ . 1]" 1 188 1 54 ILE MD 1 55 TYR H 4.470 . 4.470 3.363 3.253 3.481 . 0 0 "[ . 1]" 1 189 1 54 ILE MD 1 138 PHE H 3.790 . 3.790 3.197 2.876 3.689 . 0 0 "[ . 1]" 1 190 1 54 ILE QG 1 66 LEU QB 1.560 . 1.560 2.007 1.916 2.039 0.479 10 0 "[ . 1]" 1 191 1 54 ILE MG 1 55 TYR H 3.720 . 3.720 2.212 1.881 2.476 . 0 0 "[ . 1]" 1 192 1 54 ILE MG 1 55 TYR QD 4.580 . 4.580 4.535 4.389 4.673 0.093 8 0 "[ . 1]" 1 193 1 54 ILE MG 1 66 LEU QD 3.950 . 3.950 3.649 3.482 3.762 . 0 0 "[ . 1]" 1 194 1 54 ILE MG 1 139 ALA HA 4.060 . 4.060 3.062 2.949 3.178 . 0 0 "[ . 1]" 1 195 1 54 ILE MG 1 140 LEU H 3.910 . 3.910 3.706 3.566 3.887 . 0 0 "[ . 1]" 1 196 1 55 TYR H 1 55 TYR QD 4.000 . 4.000 3.240 2.940 3.535 . 0 0 "[ . 1]" 1 197 1 55 TYR H 1 111 VAL QG 4.670 . 4.670 4.171 3.723 4.661 . 0 0 "[ . 1]" 1 198 1 55 TYR H 1 138 PHE H 4.270 . 4.270 4.030 3.800 4.289 0.019 3 0 "[ . 1]" 1 199 1 55 TYR H 1 139 ALA HA 3.630 . 3.630 2.543 2.450 2.722 . 0 0 "[ . 1]" 1 200 1 55 TYR H 1 139 ALA MB 4.250 . 4.250 3.469 3.216 3.732 . 0 0 "[ . 1]" 1 201 1 55 TYR H 1 140 LEU H 4.180 . 4.180 4.212 3.978 4.343 0.163 4 0 "[ . 1]" 1 202 1 55 TYR HB2 1 111 VAL MG1 5.100 . 5.100 3.840 2.521 4.562 . 0 0 "[ . 1]" 1 203 1 55 TYR HB2 1 111 VAL QG 4.250 . 4.250 2.927 2.360 3.395 . 0 0 "[ . 1]" 1 204 1 55 TYR HB2 1 111 VAL MG2 5.100 . 5.100 3.206 2.420 4.091 . 0 0 "[ . 1]" 1 205 1 55 TYR HB2 1 139 ALA HA 4.270 . 4.270 3.908 3.611 4.063 . 0 0 "[ . 1]" 1 206 1 55 TYR HB2 1 139 ALA MB 3.930 . 3.930 2.993 2.762 3.278 . 0 0 "[ . 1]" 1 207 1 55 TYR HB3 1 56 PHE H 4.270 . 4.270 3.669 3.139 4.093 . 0 0 "[ . 1]" 1 208 1 55 TYR HB3 1 139 ALA HA 5.470 . 5.470 5.183 4.948 5.349 . 0 0 "[ . 1]" 1 209 1 55 TYR HB3 1 139 ALA MB 4.550 . 4.550 4.132 3.886 4.434 . 0 0 "[ . 1]" 1 210 1 55 TYR QD 1 65 PRO QD 5.240 . 5.240 5.021 4.631 5.296 0.056 8 0 "[ . 1]" 1 211 1 55 TYR QD 1 111 VAL QG 4.100 . 4.100 3.059 2.759 3.539 . 0 0 "[ . 1]" 1 212 1 55 TYR QE 1 65 PRO QD 4.040 . 4.040 3.683 3.392 4.037 . 0 0 "[ . 1]" 1 213 1 56 PHE H 1 56 PHE QB 3.810 . 3.810 2.449 2.181 2.916 . 0 0 "[ . 1]" 1 214 1 56 PHE H 1 56 PHE QD 4.080 . 4.080 2.157 1.800 2.567 . 0 0 "[ . 1]" 1 215 1 56 PHE H 1 59 SER QB 4.530 . 4.530 3.823 3.370 4.364 . 0 0 "[ . 1]" 1 216 1 56 PHE HA 1 56 PHE QD 4.030 . 4.030 2.983 2.355 3.444 . 0 0 "[ . 1]" 1 217 1 56 PHE QB 1 59 SER H 3.950 . 3.950 2.388 2.210 2.532 . 0 0 "[ . 1]" 1 218 1 56 PHE QB 1 59 SER QB 3.940 . 3.940 2.912 2.056 4.044 0.104 5 0 "[ . 1]" 1 219 1 56 PHE QD 1 96 ILE MD 4.580 . 4.580 4.520 4.109 4.656 0.076 10 0 "[ . 1]" 1 220 1 56 PHE QD 1 140 LEU QB 4.300 . 4.300 2.970 2.128 3.804 . 0 0 "[ . 1]" 1 221 1 56 PHE QE 1 96 ILE MD 4.330 . 4.330 3.414 2.794 4.204 . 0 0 "[ . 1]" 1 222 1 56 PHE QE 1 96 ILE QG 5.280 . 5.280 4.724 3.599 5.347 0.067 1 0 "[ . 1]" 1 223 1 56 PHE QE 1 140 LEU QB 4.090 . 4.090 3.294 2.396 4.075 . 0 0 "[ . 1]" 1 224 1 57 PRO QB 1 58 SER H 4.030 . 4.030 3.227 2.585 3.449 . 0 0 "[ . 1]" 1 225 1 57 PRO QG 1 58 SER H 3.910 . 3.910 2.621 2.261 3.751 . 0 0 "[ . 1]" 1 226 1 58 SER H 1 59 SER H 3.590 . 3.590 2.350 2.151 2.558 . 0 0 "[ . 1]" 1 227 1 58 SER H 1 59 SER QB 4.400 . 4.400 4.401 4.260 4.550 0.150 1 0 "[ . 1]" 1 228 1 58 SER HA 1 59 SER H 3.550 . 3.550 3.420 3.356 3.481 . 0 0 "[ . 1]" 1 229 1 59 SER H 1 59 SER QB 3.420 . 3.420 2.480 2.255 2.812 . 0 0 "[ . 1]" 1 230 1 59 SER HA 1 60 GLU H 3.530 . 3.530 2.333 2.181 2.660 . 0 0 "[ . 1]" 1 231 1 60 GLU H 1 60 GLU QB 3.430 . 3.430 2.337 2.271 2.378 . 0 0 "[ . 1]" 1 232 1 60 GLU H 1 61 SER H 3.700 . 3.700 2.362 2.215 2.523 . 0 0 "[ . 1]" 1 233 1 60 GLU QB 1 61 SER H 3.760 . 3.760 2.959 2.616 3.222 . 0 0 "[ . 1]" 1 234 1 62 PRO HA 1 64 LYS H 4.280 . 4.280 3.407 3.156 3.677 . 0 0 "[ . 1]" 1 235 1 62 PRO QB 1 63 SER H 3.610 . 3.610 3.580 3.473 3.677 0.067 4 0 "[ . 1]" 1 236 1 63 SER H 1 63 SER QB 3.440 . 3.440 2.489 2.267 2.595 . 0 0 "[ . 1]" 1 237 1 63 SER H 1 64 LYS H 3.310 . 3.310 2.631 2.562 2.839 . 0 0 "[ . 1]" 1 238 1 65 PRO HA 1 66 LEU H 3.230 . 3.230 2.339 2.278 2.375 . 0 0 "[ . 1]" 1 239 1 65 PRO HB2 1 66 LEU H 4.470 . 4.470 2.905 2.796 3.438 . 0 0 "[ . 1]" 1 240 1 65 PRO HB3 1 66 LEU H 4.470 . 4.470 3.642 3.231 3.708 . 0 0 "[ . 1]" 1 241 1 66 LEU H 1 66 LEU HB2 4.000 . 4.000 2.760 2.530 3.060 . 0 0 "[ . 1]" 1 242 1 66 LEU H 1 66 LEU QB 3.480 . 3.480 2.271 2.236 2.382 . 0 0 "[ . 1]" 1 243 1 66 LEU H 1 66 LEU HB3 4.000 . 4.000 2.428 2.348 2.545 . 0 0 "[ . 1]" 1 244 1 66 LEU HA 1 67 PHE H 3.250 . 3.250 2.173 2.147 2.212 . 0 0 "[ . 1]" 1 245 1 66 LEU HA 1 67 PHE QB 4.490 . 4.490 4.160 4.083 4.222 . 0 0 "[ . 1]" 1 246 1 66 LEU QB 1 66 LEU QD 1.560 . 1.560 1.902 1.877 1.918 0.358 2 0 "[ . 1]" 1 247 1 66 LEU QB 1 67 PHE H 4.020 . 4.020 3.922 3.843 3.969 . 0 0 "[ . 1]" 1 248 1 66 LEU HB2 1 66 LEU MD1 3.520 . 3.520 2.263 2.171 2.325 . 0 0 "[ . 1]" 1 249 1 66 LEU HB2 1 66 LEU MD2 3.520 . 3.520 2.505 2.253 3.102 . 0 0 "[ . 1]" 1 250 1 66 LEU HB2 1 67 PHE H 4.590 . 4.590 4.400 4.262 4.539 . 0 0 "[ . 1]" 1 251 1 66 LEU HB3 1 66 LEU MD1 3.520 . 3.520 3.103 2.729 3.203 . 0 0 "[ . 1]" 1 252 1 66 LEU HB3 1 66 LEU MD2 3.520 . 3.520 2.285 2.159 2.396 . 0 0 "[ . 1]" 1 253 1 66 LEU HB3 1 67 PHE H 4.590 . 4.590 4.408 4.364 4.465 . 0 0 "[ . 1]" 1 254 1 66 LEU QD 1 82 TYR H 4.960 . 4.960 4.176 3.946 4.436 . 0 0 "[ . 1]" 1 255 1 66 LEU QD 1 82 TYR QB 2.710 . 2.710 2.607 2.299 2.778 0.068 2 0 "[ . 1]" 1 256 1 66 LEU QD 1 82 TYR QD 4.210 . 4.210 2.378 2.082 2.678 . 0 0 "[ . 1]" 1 257 1 66 LEU QD 1 82 TYR QE 4.510 . 4.510 3.618 2.451 3.929 . 0 0 "[ . 1]" 1 258 1 66 LEU MD1 1 82 TYR HB2 4.710 . 4.710 4.762 4.567 4.842 0.132 2 0 "[ . 1]" 1 259 1 66 LEU MD1 1 82 TYR HB3 4.710 . 4.710 3.270 2.991 3.722 . 0 0 "[ . 1]" 1 260 1 66 LEU MD2 1 82 TYR HB2 4.710 . 4.710 4.230 3.771 4.527 . 0 0 "[ . 1]" 1 261 1 66 LEU MD2 1 82 TYR HB3 4.710 . 4.710 2.850 2.348 3.193 . 0 0 "[ . 1]" 1 262 1 67 PHE H 1 67 PHE HB2 3.660 . 3.660 2.925 2.721 3.134 . 0 0 "[ . 1]" 1 263 1 67 PHE H 1 67 PHE HB3 3.660 . 3.660 2.532 2.437 2.719 . 0 0 "[ . 1]" 1 264 1 67 PHE H 1 67 PHE QD 4.610 . 4.610 4.213 4.129 4.286 . 0 0 "[ . 1]" 1 265 1 67 PHE H 1 68 VAL MG1 3.810 . 3.810 3.452 3.315 3.571 . 0 0 "[ . 1]" 1 266 1 67 PHE HA 1 67 PHE QD 3.810 . 3.810 2.743 2.311 3.000 . 0 0 "[ . 1]" 1 267 1 67 PHE HA 1 68 VAL H 3.160 . 3.160 2.156 2.126 2.176 . 0 0 "[ . 1]" 1 268 1 67 PHE HA 1 68 VAL MG2 4.100 . 4.100 3.597 3.516 3.683 . 0 0 "[ . 1]" 1 269 1 67 PHE QD 1 68 VAL H 4.440 . 4.440 3.729 3.189 3.955 . 0 0 "[ . 1]" 1 270 1 67 PHE QD 1 68 VAL MG1 4.700 . 4.700 4.461 4.270 4.611 . 0 0 "[ . 1]" 1 271 1 67 PHE QD 1 69 GLU HG2 5.500 . 5.500 5.533 5.393 5.610 0.110 10 0 "[ . 1]" 1 272 1 67 PHE QD 1 69 GLU HG3 5.500 . 5.500 4.663 4.338 4.999 . 0 0 "[ . 1]" 1 273 1 67 PHE QE 1 69 GLU HG2 5.500 . 5.500 4.179 3.853 4.276 . 0 0 "[ . 1]" 1 274 1 67 PHE QE 1 69 GLU HG3 5.500 . 5.500 3.659 3.203 3.958 . 0 0 "[ . 1]" 1 275 1 68 VAL H 1 68 VAL HB 4.070 . 4.070 3.842 3.818 3.892 . 0 0 "[ . 1]" 1 276 1 68 VAL H 1 68 VAL MG1 3.830 . 3.830 3.037 2.888 3.207 . 0 0 "[ . 1]" 1 277 1 68 VAL H 1 68 VAL MG2 3.550 . 3.550 2.121 2.045 2.271 . 0 0 "[ . 1]" 1 278 1 68 VAL HA 1 68 VAL MG1 3.370 . 3.370 2.312 2.243 2.371 . 0 0 "[ . 1]" 1 279 1 68 VAL HA 1 69 GLU H 3.160 . 3.160 2.330 2.300 2.373 . 0 0 "[ . 1]" 1 280 1 68 VAL HB 1 69 GLU H 3.330 . 3.330 2.537 2.452 2.585 . 0 0 "[ . 1]" 1 281 1 68 VAL MG1 1 69 GLU H 3.710 . 3.710 3.651 3.616 3.730 0.020 5 0 "[ . 1]" 1 282 1 68 VAL MG2 1 69 GLU HA 4.260 . 4.260 4.028 3.938 4.141 . 0 0 "[ . 1]" 1 283 1 68 VAL MG2 1 82 TYR HB2 5.060 . 5.060 3.905 3.578 4.146 . 0 0 "[ . 1]" 1 284 1 68 VAL MG2 1 82 TYR QB 4.280 . 4.280 3.187 2.919 3.381 . 0 0 "[ . 1]" 1 285 1 68 VAL MG2 1 82 TYR HB3 5.060 . 5.060 3.384 3.095 3.583 . 0 0 "[ . 1]" 1 286 1 69 GLU H 1 69 GLU QB 3.650 . 3.650 2.454 2.400 2.513 . 0 0 "[ . 1]" 1 287 1 69 GLU H 1 69 GLU QG 4.140 . 4.140 2.688 2.467 2.818 . 0 0 "[ . 1]" 1 288 1 69 GLU HA 1 69 GLU QG 3.310 . 3.310 2.358 2.338 2.388 . 0 0 "[ . 1]" 1 289 1 69 GLU HA 1 70 LEU H 3.240 . 3.240 2.164 2.150 2.193 . 0 0 "[ . 1]" 1 290 1 69 GLU QB 1 70 LEU H 4.210 . 4.210 3.374 3.230 3.469 . 0 0 "[ . 1]" 1 291 1 70 LEU H 1 70 LEU QB 3.380 . 3.380 2.566 2.350 2.998 . 0 0 "[ . 1]" 1 292 1 70 LEU H 1 70 LEU QD 4.320 . 4.320 3.209 2.480 3.940 . 0 0 "[ . 1]" 1 293 1 70 LEU QD 1 71 ARG H 4.780 . 4.780 3.291 2.594 3.753 . 0 0 "[ . 1]" 1 294 1 71 ARG H 1 71 ARG QD 5.220 . 5.220 3.998 3.745 4.452 . 0 0 "[ . 1]" 1 295 1 71 ARG H 1 71 ARG QG 3.190 . 3.190 2.553 2.170 3.173 . 0 0 "[ . 1]" 1 296 1 71 ARG HA 1 72 LYS H 3.310 . 3.310 2.315 2.247 2.394 . 0 0 "[ . 1]" 1 297 1 71 ARG QB 1 71 ARG QD 3.280 . 3.280 2.269 2.103 2.575 . 0 0 "[ . 1]" 1 298 1 71 ARG QB 1 73 ASN H 3.780 . 3.780 2.185 1.996 2.772 . 0 0 "[ . 1]" 1 299 1 71 ARG QB 1 74 VAL QG 1.560 . 1.560 1.912 1.822 1.979 0.419 7 0 "[ . 1]" 1 300 1 71 ARG HB2 1 74 VAL MG1 3.520 . 3.520 2.296 2.016 3.173 . 0 0 "[ . 1]" 1 301 1 71 ARG HB2 1 74 VAL MG2 3.520 . 3.520 2.164 2.024 2.227 . 0 0 "[ . 1]" 1 302 1 71 ARG HB3 1 74 VAL MG1 3.520 . 3.520 3.426 3.047 3.874 0.354 9 0 "[ . 1]" 1 303 1 71 ARG HB3 1 74 VAL MG2 3.520 . 3.520 3.214 2.157 3.540 0.020 5 0 "[ . 1]" 1 304 1 71 ARG QG 1 73 ASN H 4.130 . 4.130 4.219 3.829 4.355 0.225 1 0 "[ . 1]" 1 305 1 71 ARG QG 1 74 VAL H 4.450 . 4.450 4.600 4.468 4.724 0.274 3 0 "[ . 1]" 1 306 1 71 ARG QG 1 74 VAL QG 3.450 . 3.450 3.075 2.700 3.376 . 0 0 "[ . 1]" 1 307 1 72 LYS H 1 73 ASN H 4.060 . 4.060 2.431 2.258 2.552 . 0 0 "[ . 1]" 1 308 1 72 LYS HA 1 72 LYS QB 2.800 . 2.800 2.341 2.182 2.435 . 0 0 "[ . 1]" 1 309 1 73 ASN H 1 73 ASN HB2 3.930 . 3.930 2.764 2.365 3.746 . 0 0 "[ . 1]" 1 310 1 73 ASN H 1 73 ASN QB 3.400 . 3.400 2.478 2.306 2.909 . 0 0 "[ . 1]" 1 311 1 73 ASN H 1 73 ASN HB3 3.930 . 3.930 3.271 2.434 3.670 . 0 0 "[ . 1]" 1 312 1 73 ASN H 1 73 ASN QD 4.450 . 4.450 3.628 2.666 4.459 0.009 9 0 "[ . 1]" 1 313 1 73 ASN H 1 74 VAL H 3.650 . 3.650 2.348 2.243 2.673 . 0 0 "[ . 1]" 1 314 1 73 ASN H 1 74 VAL QG 4.330 . 4.330 3.242 3.093 3.648 . 0 0 "[ . 1]" 1 315 1 73 ASN QB 1 74 VAL H 4.280 . 4.280 3.241 3.021 3.915 . 0 0 "[ . 1]" 1 316 1 74 VAL H 1 74 VAL HB 3.410 . 3.410 3.497 2.329 3.646 0.236 10 0 "[ . 1]" 1 317 1 74 VAL H 1 74 VAL QG 3.050 . 3.050 1.862 1.685 2.784 . 0 0 "[ . 1]" 1 318 1 74 VAL H 1 75 LEU H 4.800 . 4.800 4.569 4.465 4.608 . 0 0 "[ . 1]" 1 319 1 74 VAL H 1 75 LEU QD 4.890 . 4.890 4.763 4.387 5.028 0.138 7 0 "[ . 1]" 1 320 1 74 VAL HA 1 74 VAL MG1 3.530 . 3.530 2.307 2.195 2.519 . 0 0 "[ . 1]" 1 321 1 74 VAL HA 1 74 VAL QG 3.080 . 3.080 2.221 2.089 2.347 . 0 0 "[ . 1]" 1 322 1 74 VAL HA 1 74 VAL MG2 3.530 . 3.530 3.100 2.231 3.213 . 0 0 "[ . 1]" 1 323 1 74 VAL HA 1 75 LEU H 3.170 . 3.170 2.198 2.128 2.319 . 0 0 "[ . 1]" 1 324 1 74 VAL HB 1 75 LEU H 4.280 . 4.280 2.928 2.447 4.245 . 0 0 "[ . 1]" 1 325 1 74 VAL QG 1 75 LEU H 3.780 . 3.780 3.235 2.429 3.421 . 0 0 "[ . 1]" 1 326 1 75 LEU H 1 75 LEU QD 4.370 . 4.370 2.465 1.644 3.020 . 0 0 "[ . 1]" 1 327 1 75 LEU H 1 75 LEU HG 4.380 . 4.380 2.466 1.817 3.761 . 0 0 "[ . 1]" 1 328 1 75 LEU HA 1 75 LEU QD 4.060 . 4.060 2.132 2.022 2.459 . 0 0 "[ . 1]" 1 329 1 75 LEU HA 1 76 VAL H 3.550 . 3.550 2.527 2.402 2.587 . 0 0 "[ . 1]" 1 330 1 75 LEU QB 1 76 VAL H 3.650 . 3.650 2.165 1.923 2.352 . 0 0 "[ . 1]" 1 331 1 75 LEU QB 1 76 VAL HB 4.300 . 4.300 3.903 3.686 4.036 . 0 0 "[ . 1]" 1 332 1 75 LEU QB 1 76 VAL MG2 4.100 . 4.100 3.820 3.676 4.022 . 0 0 "[ . 1]" 1 333 1 75 LEU QB 1 77 SER H 3.980 . 3.980 2.745 2.335 2.923 . 0 0 "[ . 1]" 1 334 1 75 LEU QB 1 78 GLU H 3.820 . 3.820 3.638 3.441 3.895 0.075 9 0 "[ . 1]" 1 335 1 75 LEU QD 1 77 SER H 4.220 . 4.220 4.162 3.888 4.318 0.098 5 0 "[ . 1]" 1 336 1 75 LEU QD 1 126 ARG HA 3.580 . 3.580 3.179 2.591 3.581 0.001 9 0 "[ . 1]" 1 337 1 75 LEU HG 1 76 VAL H 4.860 . 4.860 4.613 3.637 4.881 0.021 10 0 "[ . 1]" 1 338 1 76 VAL H 1 76 VAL HB 3.620 . 3.620 2.455 2.403 2.496 . 0 0 "[ . 1]" 1 339 1 76 VAL H 1 76 VAL MG1 3.880 . 3.880 3.740 3.725 3.751 . 0 0 "[ . 1]" 1 340 1 76 VAL H 1 76 VAL MG2 3.710 . 3.710 2.120 2.033 2.166 . 0 0 "[ . 1]" 1 341 1 76 VAL H 1 77 SER H 4.220 . 4.220 2.683 2.515 2.770 . 0 0 "[ . 1]" 1 342 1 76 VAL H 1 125 ASP H 5.090 . 5.090 5.127 5.038 5.198 0.108 3 0 "[ . 1]" 1 343 1 76 VAL H 1 126 ARG HA 4.580 . 4.580 3.082 2.864 3.329 . 0 0 "[ . 1]" 1 344 1 76 VAL H 1 128 GLY H 4.630 . 4.630 4.504 4.297 4.693 0.063 6 0 "[ . 1]" 1 345 1 76 VAL H 1 130 LEU H 4.630 . 4.630 3.479 3.259 3.617 . 0 0 "[ . 1]" 1 346 1 76 VAL H 1 130 LEU QD 4.760 . 4.760 4.587 3.640 4.809 0.049 1 0 "[ . 1]" 1 347 1 76 VAL HA 1 76 VAL MG1 3.290 . 3.290 2.361 2.338 2.378 . 0 0 "[ . 1]" 1 348 1 76 VAL HA 1 79 ALA H 4.130 . 4.130 3.255 3.117 3.416 . 0 0 "[ . 1]" 1 349 1 76 VAL HA 1 79 ALA MB 3.600 . 3.600 2.950 2.780 3.290 . 0 0 "[ . 1]" 1 350 1 76 VAL HA 1 130 LEU H 4.750 . 4.750 3.961 3.716 4.226 . 0 0 "[ . 1]" 1 351 1 76 VAL HA 1 130 LEU HB2 4.360 . 4.360 2.774 2.474 4.598 0.238 7 0 "[ . 1]" 1 352 1 76 VAL HA 1 130 LEU QB 3.800 . 3.800 2.630 2.442 3.448 . 0 0 "[ . 1]" 1 353 1 76 VAL HA 1 130 LEU HB3 4.360 . 4.360 3.897 3.563 4.255 . 0 0 "[ . 1]" 1 354 1 76 VAL HA 1 130 LEU QD 3.720 . 3.720 2.889 2.059 3.218 . 0 0 "[ . 1]" 1 355 1 76 VAL HB 1 77 SER H 3.720 . 3.720 2.629 2.478 2.928 . 0 0 "[ . 1]" 1 356 1 76 VAL HB 1 77 SER HA 4.320 . 4.320 4.206 4.148 4.270 . 0 0 "[ . 1]" 1 357 1 76 VAL HB 1 125 ASP H 4.150 . 4.150 3.744 3.136 3.991 . 0 0 "[ . 1]" 1 358 1 76 VAL HB 1 125 ASP HA 3.120 . 3.120 2.955 2.580 3.220 0.100 4 0 "[ . 1]" 1 359 1 76 VAL HB 1 126 ARG HA 3.700 . 3.700 3.263 2.895 3.441 . 0 0 "[ . 1]" 1 360 1 76 VAL HB 1 128 GLY H 4.470 . 4.470 4.382 4.301 4.449 . 0 0 "[ . 1]" 1 361 1 76 VAL MG1 1 77 SER H 4.000 . 4.000 3.401 3.253 3.708 . 0 0 "[ . 1]" 1 362 1 76 VAL MG1 1 78 GLU H 4.810 . 4.810 4.530 4.331 4.779 . 0 0 "[ . 1]" 1 363 1 76 VAL MG1 1 125 ASP H 4.220 . 4.220 3.854 2.514 4.260 0.040 9 0 "[ . 1]" 1 364 1 76 VAL MG1 1 125 ASP QB 4.780 . 4.780 4.618 4.336 4.837 0.057 5 0 "[ . 1]" 1 365 1 76 VAL MG1 1 126 ARG H 4.710 . 4.710 4.699 4.562 4.811 0.101 2 0 "[ . 1]" 1 366 1 76 VAL MG1 1 130 LEU HA 4.510 . 4.510 4.555 4.407 4.696 0.186 2 0 "[ . 1]" 1 367 1 76 VAL MG1 1 130 LEU QD 3.090 . 3.090 2.876 2.635 3.101 0.011 1 0 "[ . 1]" 1 368 1 76 VAL MG2 1 77 SER H 4.110 . 4.110 3.887 3.817 3.945 . 0 0 "[ . 1]" 1 369 1 76 VAL MG2 1 124 LEU HA 4.150 . 4.150 3.894 3.636 4.147 . 0 0 "[ . 1]" 1 370 1 76 VAL MG2 1 125 ASP H 4.330 . 4.330 2.773 2.423 3.159 . 0 0 "[ . 1]" 1 371 1 76 VAL MG2 1 125 ASP QB 4.590 . 4.590 4.642 4.522 4.736 0.146 2 0 "[ . 1]" 1 372 1 76 VAL MG2 1 126 ARG H 5.070 . 5.070 4.893 4.617 5.021 . 0 0 "[ . 1]" 1 373 1 76 VAL MG2 1 126 ARG HA 4.560 . 4.560 4.182 3.885 4.441 . 0 0 "[ . 1]" 1 374 1 76 VAL MG2 1 128 GLY QA 4.130 . 4.130 3.550 3.456 3.701 . 0 0 "[ . 1]" 1 375 1 76 VAL MG2 1 130 LEU H 4.920 . 4.920 2.509 2.284 2.686 . 0 0 "[ . 1]" 1 376 1 77 SER H 1 77 SER QB 3.530 . 3.530 2.422 2.064 2.851 . 0 0 "[ . 1]" 1 377 1 77 SER H 1 78 GLU H 4.240 . 4.240 2.978 2.888 3.078 . 0 0 "[ . 1]" 1 378 1 77 SER H 1 126 ARG HA 4.290 . 4.290 2.550 2.313 2.908 . 0 0 "[ . 1]" 1 379 1 77 SER H 1 126 ARG QB 4.110 . 4.110 3.893 3.440 4.394 0.284 8 0 "[ . 1]" 1 380 1 77 SER H 1 128 GLY H 5.400 . 5.400 5.656 5.572 5.773 0.373 3 0 "[ . 1]" 1 381 1 77 SER HA 1 80 ILE MG 3.640 . 3.640 3.163 2.715 3.693 0.053 9 0 "[ . 1]" 1 382 1 77 SER QB 1 80 ILE MG 4.750 . 4.750 4.100 3.820 4.602 . 0 0 "[ . 1]" 1 383 1 77 SER QB 1 126 ARG QB 4.310 . 4.310 3.187 2.229 4.018 . 0 0 "[ . 1]" 1 384 1 78 GLU H 1 79 ALA H 3.670 . 3.670 2.589 2.516 2.687 . 0 0 "[ . 1]" 1 385 1 79 ALA H 1 79 ALA MB 3.450 . 3.450 2.206 2.179 2.228 . 0 0 "[ . 1]" 1 386 1 79 ALA H 1 130 LEU QD 4.360 . 4.360 4.149 3.424 4.430 0.070 9 0 "[ . 1]" 1 387 1 79 ALA HA 1 130 LEU QD 4.070 . 4.070 4.132 4.052 4.220 0.150 1 0 "[ . 1]" 1 388 1 79 ALA MB 1 80 ILE H 3.730 . 3.730 2.185 2.087 2.308 . 0 0 "[ . 1]" 1 389 1 79 ALA MB 1 80 ILE HA 4.290 . 4.290 3.765 3.745 3.799 . 0 0 "[ . 1]" 1 390 1 79 ALA MB 1 130 LEU QD 3.000 . 3.000 2.614 2.214 2.951 . 0 0 "[ . 1]" 1 391 1 80 ILE H 1 80 ILE HB 3.800 . 3.800 2.486 2.439 2.570 . 0 0 "[ . 1]" 1 392 1 80 ILE H 1 80 ILE MD 4.510 . 4.510 4.152 3.925 4.320 . 0 0 "[ . 1]" 1 393 1 80 ILE H 1 80 ILE QG 4.270 . 4.270 4.018 3.976 4.072 . 0 0 "[ . 1]" 1 394 1 80 ILE H 1 80 ILE MG 3.530 . 3.530 2.104 2.004 2.212 . 0 0 "[ . 1]" 1 395 1 80 ILE H 1 81 GLY H 4.060 . 4.060 2.590 2.465 2.684 . 0 0 "[ . 1]" 1 396 1 80 ILE H 1 82 TYR H 4.430 . 4.430 4.413 4.281 4.508 0.078 9 0 "[ . 1]" 1 397 1 80 ILE HA 1 80 ILE MD 3.230 . 3.230 2.997 2.137 3.581 0.351 6 0 "[ . 1]" 1 398 1 80 ILE HA 1 80 ILE QG 3.610 . 3.610 2.436 2.226 2.763 . 0 0 "[ . 1]" 1 399 1 80 ILE HA 1 80 ILE MG 3.590 . 3.590 3.189 3.186 3.194 . 0 0 "[ . 1]" 1 400 1 80 ILE HA 1 81 GLY QA 4.980 . 4.980 4.517 4.486 4.554 . 0 0 "[ . 1]" 1 401 1 80 ILE HA 1 83 ILE H 4.280 . 4.280 3.380 3.212 3.579 . 0 0 "[ . 1]" 1 402 1 80 ILE HA 1 83 ILE HB 4.030 . 4.030 2.859 2.609 3.040 . 0 0 "[ . 1]" 1 403 1 80 ILE HA 1 83 ILE MD 3.740 . 3.740 3.644 3.344 3.825 0.085 3 0 "[ . 1]" 1 404 1 80 ILE HA 1 83 ILE MG 3.920 . 3.920 3.579 3.367 3.864 . 0 0 "[ . 1]" 1 405 1 80 ILE HB 1 81 GLY H 4.030 . 4.030 3.941 3.863 4.064 0.034 9 0 "[ . 1]" 1 406 1 80 ILE HB 1 101 GLN HA 5.410 . 5.410 5.309 4.780 5.497 0.087 8 0 "[ . 1]" 1 407 1 80 ILE QG 1 83 ILE H 4.370 . 4.370 4.110 3.782 4.431 0.061 7 0 "[ . 1]" 1 408 1 80 ILE QG 1 101 GLN HA 3.550 . 3.550 2.788 2.528 3.320 . 0 0 "[ . 1]" 1 409 1 80 ILE QG 1 101 GLN QE 4.710 . 4.710 4.054 3.464 4.854 0.144 9 0 "[ . 1]" 1 410 1 80 ILE MG 1 81 GLY H 3.950 . 3.950 2.097 1.948 2.325 . 0 0 "[ . 1]" 1 411 1 80 ILE MG 1 82 TYR H 5.230 . 5.230 4.354 4.207 4.544 . 0 0 "[ . 1]" 1 412 1 80 ILE MG 1 101 GLN HA 3.900 . 3.900 3.515 3.091 3.913 0.013 2 0 "[ . 1]" 1 413 1 80 ILE MG 1 101 GLN QG 4.010 . 4.010 3.720 2.866 4.101 0.091 9 0 "[ . 1]" 1 414 1 81 GLY H 1 82 TYR H 3.870 . 3.870 2.853 2.757 2.971 . 0 0 "[ . 1]" 1 415 1 81 GLY H 1 82 TYR QB 5.250 . 5.250 4.625 4.518 4.747 . 0 0 "[ . 1]" 1 416 1 82 TYR H 1 82 TYR QB 3.360 . 3.360 2.244 2.217 2.273 . 0 0 "[ . 1]" 1 417 1 82 TYR H 1 82 TYR QD 4.470 . 4.470 4.146 4.105 4.184 . 0 0 "[ . 1]" 1 418 1 82 TYR H 1 83 ILE H 4.000 . 4.000 2.564 2.503 2.638 . 0 0 "[ . 1]" 1 419 1 82 TYR H 1 83 ILE HB 4.470 . 4.470 4.522 4.491 4.567 0.097 5 0 "[ . 1]" 1 420 1 82 TYR HA 1 85 LEU HB2 4.210 . 4.210 3.632 3.298 4.119 . 0 0 "[ . 1]" 1 421 1 82 TYR HA 1 85 LEU QD 3.550 . 3.550 2.641 2.296 3.021 . 0 0 "[ . 1]" 1 422 1 82 TYR QD 1 85 LEU QD 3.970 . 3.970 3.023 2.660 3.447 . 0 0 "[ . 1]" 1 423 1 83 ILE H 1 83 ILE HB 3.840 . 3.840 2.224 2.181 2.277 . 0 0 "[ . 1]" 1 424 1 83 ILE H 1 83 ILE MD 4.340 . 4.340 4.067 3.479 4.203 . 0 0 "[ . 1]" 1 425 1 83 ILE H 1 84 LEU H 3.980 . 3.980 2.896 2.799 2.964 . 0 0 "[ . 1]" 1 426 1 83 ILE HA 1 86 GLN H 4.150 . 4.150 3.408 3.133 3.551 . 0 0 "[ . 1]" 1 427 1 83 ILE HA 1 86 GLN QB 3.420 . 3.420 2.823 2.496 3.219 . 0 0 "[ . 1]" 1 428 1 83 ILE HB 1 84 LEU H 4.050 . 4.050 3.866 3.769 3.975 . 0 0 "[ . 1]" 1 429 1 83 ILE MD 1 83 ILE MG 3.400 . 3.400 2.308 2.026 3.256 . 0 0 "[ . 1]" 1 430 1 84 LEU H 1 84 LEU QB 3.540 . 3.540 2.359 2.281 2.421 . 0 0 "[ . 1]" 1 431 1 84 LEU H 1 84 LEU MD1 4.270 . 4.270 3.306 1.739 3.855 . 0 0 "[ . 1]" 1 432 1 84 LEU H 1 84 LEU QD 3.690 . 3.690 2.854 1.737 3.168 . 0 0 "[ . 1]" 1 433 1 84 LEU H 1 84 LEU MD2 4.270 . 4.270 3.462 1.861 4.058 . 0 0 "[ . 1]" 1 434 1 84 LEU H 1 84 LEU HG 3.790 . 3.790 2.537 2.176 3.780 . 0 0 "[ . 1]" 1 435 1 84 LEU H 1 85 LEU H 3.870 . 3.870 2.721 2.635 2.783 . 0 0 "[ . 1]" 1 436 1 84 LEU HA 1 84 LEU MD1 3.950 . 3.950 3.592 2.192 3.817 . 0 0 "[ . 1]" 1 437 1 84 LEU HA 1 84 LEU QD 3.200 . 3.200 2.224 1.988 3.006 . 0 0 "[ . 1]" 1 438 1 84 LEU HA 1 84 LEU MD2 3.950 . 3.950 2.309 2.147 3.468 . 0 0 "[ . 1]" 1 439 1 84 LEU HA 1 87 TYR HB2 3.720 . 3.720 3.355 2.749 3.724 0.004 5 0 "[ . 1]" 1 440 1 84 LEU HA 1 87 TYR QB 3.260 . 3.260 2.635 2.321 2.866 . 0 0 "[ . 1]" 1 441 1 84 LEU HA 1 87 TYR HB3 3.720 . 3.720 2.765 2.422 3.021 . 0 0 "[ . 1]" 1 442 1 84 LEU QB 1 84 LEU QD 1.560 . 1.560 1.904 1.887 1.998 0.438 6 0 "[ . 1]" 1 443 1 84 LEU HB2 1 84 LEU MD1 3.520 . 3.520 2.340 2.211 3.201 . 0 0 "[ . 1]" 1 444 1 84 LEU HB2 1 84 LEU MD2 3.520 . 3.520 3.071 2.389 3.212 . 0 0 "[ . 1]" 1 445 1 84 LEU HB3 1 84 LEU MD1 3.520 . 3.520 2.493 2.215 3.138 . 0 0 "[ . 1]" 1 446 1 84 LEU HB3 1 84 LEU MD2 3.520 . 3.520 2.313 2.195 3.181 . 0 0 "[ . 1]" 1 447 1 84 LEU QD 1 98 ASP HA 4.410 . 4.410 4.032 3.681 4.310 . 0 0 "[ . 1]" 1 448 1 84 LEU QD 1 101 GLN QE 2.750 . 2.750 2.135 1.589 2.755 0.005 5 0 "[ . 1]" 1 449 1 84 LEU QD 1 101 GLN QG 3.890 . 3.890 2.444 1.938 3.926 0.036 3 0 "[ . 1]" 1 450 1 85 LEU H 1 85 LEU HB3 3.770 . 3.770 3.561 3.546 3.579 . 0 0 "[ . 1]" 1 451 1 85 LEU H 1 85 LEU QD 3.310 . 3.310 2.494 1.843 3.127 . 0 0 "[ . 1]" 1 452 1 85 LEU HA 1 85 LEU QD 3.010 . 3.010 2.331 2.130 2.570 . 0 0 "[ . 1]" 1 453 1 85 LEU HA 1 85 LEU HG 3.710 . 3.710 2.578 2.322 2.871 . 0 0 "[ . 1]" 1 454 1 85 LEU HB2 1 86 GLN H 3.590 . 3.590 2.624 2.487 2.749 . 0 0 "[ . 1]" 1 455 1 85 LEU QD 1 86 GLN H 3.910 . 3.910 3.879 3.670 4.044 0.134 2 0 "[ . 1]" 1 456 1 86 GLN H 1 87 TYR H 3.740 . 3.740 2.568 2.424 2.693 . 0 0 "[ . 1]" 1 457 1 86 GLN HA 1 88 VAL H 4.650 . 4.650 4.550 4.375 4.683 0.033 2 0 "[ . 1]" 1 458 1 86 GLN HA 1 89 ASN H 4.120 . 4.120 3.450 3.292 3.594 . 0 0 "[ . 1]" 1 459 1 86 GLN HA 1 89 ASN QB 3.830 . 3.830 2.393 2.324 2.448 . 0 0 "[ . 1]" 1 460 1 87 TYR H 1 87 TYR HB2 3.510 . 3.510 2.582 2.528 2.650 . 0 0 "[ . 1]" 1 461 1 87 TYR H 1 87 TYR QB 3.050 . 3.050 2.251 2.231 2.277 . 0 0 "[ . 1]" 1 462 1 87 TYR H 1 87 TYR HB3 3.510 . 3.510 2.480 2.434 2.536 . 0 0 "[ . 1]" 1 463 1 87 TYR H 1 89 ASN H 4.090 . 4.090 4.132 4.056 4.167 0.077 4 0 "[ . 1]" 1 464 1 87 TYR QB 1 88 VAL H 4.050 . 4.050 2.390 2.268 2.455 . 0 0 "[ . 1]" 1 465 1 88 VAL H 1 88 VAL HB 3.350 . 3.350 2.570 2.407 3.570 0.220 2 0 "[ . 1]" 1 466 1 88 VAL H 1 88 VAL MG1 4.580 . 4.580 3.420 1.987 3.752 . 0 0 "[ . 1]" 1 467 1 88 VAL H 1 88 VAL QG 3.870 . 3.870 2.090 1.719 2.227 . 0 0 "[ . 1]" 1 468 1 88 VAL H 1 88 VAL MG2 4.580 . 4.580 2.285 1.780 3.762 . 0 0 "[ . 1]" 1 469 1 88 VAL H 1 89 ASN H 3.960 . 3.960 2.632 2.575 2.670 . 0 0 "[ . 1]" 1 470 1 88 VAL HA 1 88 VAL QG 2.940 . 2.940 2.104 2.054 2.234 . 0 0 "[ . 1]" 1 471 1 88 VAL HB 1 89 ASN H 4.120 . 4.120 2.789 2.485 3.893 . 0 0 "[ . 1]" 1 472 1 88 VAL QG 1 89 ASN H 4.180 . 4.180 2.905 1.943 3.172 . 0 0 "[ . 1]" 1 473 1 88 VAL QG 1 89 ASN HA 3.990 . 3.990 3.272 2.928 3.402 . 0 0 "[ . 1]" 1 474 1 88 VAL MG1 1 91 GLN H 5.500 . 5.500 4.706 4.515 4.946 . 0 0 "[ . 1]" 1 475 1 88 VAL MG2 1 91 GLN H 5.500 . 5.500 5.049 4.652 5.307 . 0 0 "[ . 1]" 1 476 1 89 ASN H 1 89 ASN QB 3.400 . 3.400 2.287 2.237 2.384 . 0 0 "[ . 1]" 1 477 1 89 ASN H 1 90 GLN H 3.790 . 3.790 2.757 2.692 2.828 . 0 0 "[ . 1]" 1 478 1 89 ASN QB 1 90 GLN H 3.740 . 3.740 2.579 2.526 2.636 . 0 0 "[ . 1]" 1 479 1 90 GLN H 1 90 GLN HB2 3.700 . 3.700 2.425 2.378 2.446 . 0 0 "[ . 1]" 1 480 1 90 GLN H 1 90 GLN QB 3.180 . 3.180 2.379 2.270 2.412 . 0 0 "[ . 1]" 1 481 1 90 GLN H 1 90 GLN HB3 3.700 . 3.700 3.552 2.711 3.675 . 0 0 "[ . 1]" 1 482 1 90 GLN H 1 90 GLN QG 3.850 . 3.850 2.771 2.380 3.954 0.104 8 0 "[ . 1]" 1 483 1 90 GLN H 1 91 GLN H 3.580 . 3.580 2.303 2.205 2.475 . 0 0 "[ . 1]" 1 484 1 90 GLN H 1 91 GLN HA 4.880 . 4.880 4.548 4.401 4.727 . 0 0 "[ . 1]" 1 485 1 90 GLN H 1 92 LEU H 4.650 . 4.650 4.084 3.711 4.500 . 0 0 "[ . 1]" 1 486 1 90 GLN QB 1 91 GLN H 3.810 . 3.810 3.239 3.194 3.338 . 0 0 "[ . 1]" 1 487 1 90 GLN QB 1 92 LEU H 3.710 . 3.710 2.940 2.436 3.392 . 0 0 "[ . 1]" 1 488 1 90 GLN HB2 1 91 GLN H 4.430 . 4.430 3.463 3.329 4.105 . 0 0 "[ . 1]" 1 489 1 90 GLN HB2 1 92 LEU H 4.410 . 4.410 3.297 2.641 4.550 0.140 8 0 "[ . 1]" 1 490 1 90 GLN HB3 1 91 GLN H 4.430 . 4.430 4.051 3.333 4.210 . 0 0 "[ . 1]" 1 491 1 90 GLN HB3 1 92 LEU H 4.410 . 4.410 3.486 2.856 4.128 . 0 0 "[ . 1]" 1 492 1 91 GLN H 1 92 LEU H 3.510 . 3.510 2.928 2.778 3.127 . 0 0 "[ . 1]" 1 493 1 91 GLN HA 1 91 GLN QB 2.610 . 2.610 2.399 2.377 2.429 . 0 0 "[ . 1]" 1 494 1 91 GLN HA 1 91 GLN QG 3.580 . 3.580 2.404 2.270 2.783 . 0 0 "[ . 1]" 1 495 1 91 GLN HA 1 92 LEU H 3.460 . 3.460 2.863 2.651 3.176 . 0 0 "[ . 1]" 1 496 1 92 LEU H 1 92 LEU QB 3.680 . 3.680 2.483 2.206 3.007 . 0 0 "[ . 1]" 1 497 1 92 LEU H 1 93 VAL H 4.670 . 4.670 4.442 4.069 4.615 . 0 0 "[ . 1]" 1 498 1 92 LEU HA 1 93 VAL H 2.940 . 2.940 2.507 2.184 3.022 0.082 7 0 "[ . 1]" 1 499 1 92 LEU HA 1 93 VAL QG 4.200 . 4.200 3.829 3.207 4.218 0.018 7 0 "[ . 1]" 1 500 1 92 LEU QB 1 93 VAL H 3.520 . 3.520 2.489 1.743 3.251 . 0 0 "[ . 1]" 1 501 1 93 VAL H 1 93 VAL HB 3.570 . 3.570 3.229 2.274 3.682 0.112 5 0 "[ . 1]" 1 502 1 93 VAL H 1 93 VAL QG 3.110 . 3.110 2.350 1.812 2.599 . 0 0 "[ . 1]" 1 503 1 93 VAL HA 1 93 VAL MG1 3.530 . 3.530 2.316 2.204 2.573 . 0 0 "[ . 1]" 1 504 1 93 VAL HA 1 93 VAL QG 3.070 . 3.070 2.090 2.045 2.125 . 0 0 "[ . 1]" 1 505 1 93 VAL HA 1 93 VAL MG2 3.530 . 3.530 2.405 2.250 2.584 . 0 0 "[ . 1]" 1 506 1 95 PRO HB2 1 96 ILE H 4.080 . 4.080 3.499 3.126 3.817 . 0 0 "[ . 1]" 1 507 1 95 PRO HB3 1 96 ILE H 4.080 . 4.080 3.865 3.378 4.092 0.012 1 0 "[ . 1]" 1 508 1 96 ILE H 1 96 ILE HB 3.820 . 3.820 2.599 2.547 2.713 . 0 0 "[ . 1]" 1 509 1 96 ILE H 1 96 ILE MD 4.370 . 4.370 3.756 3.445 4.182 . 0 0 "[ . 1]" 1 510 1 96 ILE H 1 96 ILE QG 3.940 . 3.940 2.858 2.574 4.108 0.168 10 0 "[ . 1]" 1 511 1 96 ILE HA 1 96 ILE MD 4.340 . 4.340 3.156 2.101 3.843 . 0 0 "[ . 1]" 1 512 1 96 ILE HA 1 97 GLU H 3.040 . 3.040 2.173 2.153 2.213 . 0 0 "[ . 1]" 1 513 1 96 ILE HB 1 101 GLN QE 4.270 . 4.270 3.255 2.556 4.318 0.048 10 0 "[ . 1]" 1 514 1 96 ILE MD 1 101 GLN QE 4.990 . 4.990 4.047 3.267 4.750 . 0 0 "[ . 1]" 1 515 1 97 GLU H 1 97 GLU QG 4.100 . 4.100 2.594 1.770 4.064 . 0 0 "[ . 1]" 1 516 1 97 GLU H 1 98 ASP H 4.540 . 4.540 4.614 4.593 4.627 0.087 1 0 "[ . 1]" 1 517 1 97 GLU H 1 100 ALA MB 4.300 . 4.300 2.963 2.133 3.572 . 0 0 "[ . 1]" 1 518 1 97 GLU HA 1 98 ASP H 2.900 . 2.900 2.232 2.182 2.300 . 0 0 "[ . 1]" 1 519 1 97 GLU QG 1 99 GLU H 4.330 . 4.330 3.240 1.721 4.530 0.200 9 0 "[ . 1]" 1 520 1 97 GLU QG 1 100 ALA H 3.840 . 3.840 3.022 1.772 4.135 0.295 4 0 "[ . 1]" 1 521 1 97 GLU QG 1 100 ALA MB 3.580 . 3.580 2.797 1.912 3.661 0.081 10 0 "[ . 1]" 1 522 1 98 ASP H 1 98 ASP QB 3.180 . 3.180 2.320 2.230 2.556 . 0 0 "[ . 1]" 1 523 1 98 ASP H 1 99 GLU QG 4.000 . 4.000 3.986 3.548 4.114 0.114 1 0 "[ . 1]" 1 524 1 98 ASP H 1 100 ALA H 4.560 . 4.560 3.948 3.777 4.154 . 0 0 "[ . 1]" 1 525 1 98 ASP H 1 100 ALA MB 4.970 . 4.970 4.777 4.589 4.972 0.002 5 0 "[ . 1]" 1 526 1 98 ASP HA 1 101 GLN QE 3.730 . 3.730 3.342 2.658 3.699 . 0 0 "[ . 1]" 1 527 1 98 ASP HA 1 101 GLN QG 4.360 . 4.360 3.900 3.081 4.343 . 0 0 "[ . 1]" 1 528 1 98 ASP QB 1 99 GLU H 3.360 . 3.360 2.849 2.577 3.446 0.086 6 0 "[ . 1]" 1 529 1 98 ASP QB 1 99 GLU HA 4.300 . 4.300 4.082 3.904 4.299 . 0 0 "[ . 1]" 1 530 1 98 ASP QB 1 100 ALA H 4.880 . 4.880 4.556 4.374 4.695 . 0 0 "[ . 1]" 1 531 1 99 GLU H 1 99 GLU QG 3.940 . 3.940 2.177 1.748 2.529 . 0 0 "[ . 1]" 1 532 1 99 GLU H 1 100 ALA H 3.760 . 3.760 2.472 2.238 2.681 . 0 0 "[ . 1]" 1 533 1 99 GLU H 1 100 ALA MB 4.470 . 4.470 4.137 3.928 4.338 . 0 0 "[ . 1]" 1 534 1 99 GLU QB 1 100 ALA H 4.120 . 4.120 3.188 2.659 3.820 . 0 0 "[ . 1]" 1 535 1 99 GLU QG 1 100 ALA H 4.300 . 4.300 3.940 2.803 4.289 . 0 0 "[ . 1]" 1 536 1 100 ALA H 1 100 ALA MB 3.320 . 3.320 2.228 2.172 2.269 . 0 0 "[ . 1]" 1 537 1 100 ALA H 1 101 GLN H 3.390 . 3.390 2.456 2.303 2.598 . 0 0 "[ . 1]" 1 538 1 100 ALA H 1 101 GLN QE 5.000 . 5.000 4.839 4.222 5.197 0.197 9 0 "[ . 1]" 1 539 1 100 ALA HA 1 105 TYR HB3 4.260 . 4.260 2.751 2.579 2.922 . 0 0 "[ . 1]" 1 540 1 100 ALA MB 1 105 TYR HB2 4.090 . 4.090 3.948 3.800 4.232 0.142 9 0 "[ . 1]" 1 541 1 100 ALA MB 1 105 TYR HB3 4.040 . 4.040 3.787 3.651 3.994 . 0 0 "[ . 1]" 1 542 1 100 ALA MB 1 105 TYR QD 4.520 . 4.520 4.549 4.392 4.721 0.201 5 0 "[ . 1]" 1 543 1 100 ALA MB 1 106 TRP HE1 3.880 . 3.880 2.076 1.803 2.507 . 0 0 "[ . 1]" 1 544 1 101 GLN H 1 101 GLN QE 4.450 . 4.450 3.967 3.494 4.339 . 0 0 "[ . 1]" 1 545 1 101 GLN H 1 101 GLN QG 3.870 . 3.870 3.397 2.186 4.040 0.170 2 0 "[ . 1]" 1 546 1 101 GLN HA 1 101 GLN QE 5.140 . 5.140 3.530 2.716 4.796 . 0 0 "[ . 1]" 1 547 1 101 GLN HA 1 101 GLN QG 3.710 . 3.710 2.405 2.298 2.661 . 0 0 "[ . 1]" 1 548 1 104 ASN H 1 104 ASN QB 3.460 . 3.460 2.337 2.232 2.490 . 0 0 "[ . 1]" 1 549 1 104 ASN H 1 105 TYR H 3.710 . 3.710 2.632 2.593 2.655 . 0 0 "[ . 1]" 1 550 1 104 ASN H 1 105 TYR HA 5.450 . 5.450 5.264 5.243 5.289 . 0 0 "[ . 1]" 1 551 1 104 ASN H 1 105 TYR HB2 4.660 . 4.660 4.675 4.617 4.726 0.066 3 0 "[ . 1]" 1 552 1 104 ASN H 1 105 TYR QD 4.280 . 4.280 3.652 3.389 3.816 . 0 0 "[ . 1]" 1 553 1 104 ASN QB 1 105 TYR H 4.670 . 4.670 2.748 2.677 3.028 . 0 0 "[ . 1]" 1 554 1 104 ASN QB 1 106 TRP H 5.130 . 5.130 4.841 4.746 4.928 . 0 0 "[ . 1]" 1 555 1 105 TYR H 1 105 TYR HB2 3.710 . 3.710 2.289 2.264 2.323 . 0 0 "[ . 1]" 1 556 1 105 TYR H 1 105 TYR HB3 3.760 . 3.760 3.564 3.548 3.596 . 0 0 "[ . 1]" 1 557 1 105 TYR H 1 105 TYR QD 3.860 . 3.860 2.147 1.817 2.462 . 0 0 "[ . 1]" 1 558 1 105 TYR H 1 106 TRP H 3.380 . 3.380 2.513 2.169 2.680 . 0 0 "[ . 1]" 1 559 1 105 TYR H 1 148 ILE QG 5.150 . 5.150 4.762 4.458 5.184 0.034 3 0 "[ . 1]" 1 560 1 105 TYR HA 1 105 TYR QD 4.260 . 4.260 3.025 2.986 3.060 . 0 0 "[ . 1]" 1 561 1 105 TYR HA 1 143 ALA MB 4.530 . 4.530 4.244 3.760 4.588 0.058 3 0 "[ . 1]" 1 562 1 105 TYR HA 1 148 ILE QG 4.070 . 4.070 2.918 2.323 3.795 . 0 0 "[ . 1]" 1 563 1 105 TYR HA 1 148 ILE MG 3.470 . 3.470 3.080 2.153 3.627 0.157 3 0 "[ . 1]" 1 564 1 105 TYR HB2 1 106 TRP HE1 5.110 . 5.110 4.263 3.734 5.007 . 0 0 "[ . 1]" 1 565 1 105 TYR HB3 1 106 TRP HE1 4.160 . 4.160 3.258 2.698 3.841 . 0 0 "[ . 1]" 1 566 1 106 TRP H 1 106 TRP HB2 3.880 . 3.880 2.610 2.496 2.757 . 0 0 "[ . 1]" 1 567 1 106 TRP H 1 106 TRP HB3 3.880 . 3.880 3.762 3.688 3.856 . 0 0 "[ . 1]" 1 568 1 106 TRP H 1 140 LEU QD 5.190 . 5.190 4.387 4.250 4.526 . 0 0 "[ . 1]" 1 569 1 106 TRP HA 1 107 ASN H 3.330 . 3.330 2.386 2.268 2.456 . 0 0 "[ . 1]" 1 570 1 106 TRP HA 1 142 LYS HA 4.170 . 4.170 4.064 3.882 4.190 0.020 10 0 "[ . 1]" 1 571 1 106 TRP HA 1 143 ALA H 3.400 . 3.400 2.997 2.559 3.321 . 0 0 "[ . 1]" 1 572 1 106 TRP HA 1 143 ALA MB 4.220 . 4.220 2.371 2.138 2.553 . 0 0 "[ . 1]" 1 573 1 106 TRP QB 1 140 LEU QD 1.570 . 1.570 1.935 1.864 2.003 0.433 2 0 "[ . 1]" 1 574 1 106 TRP QB 1 140 LEU HG 4.280 . 4.280 3.027 2.445 4.476 0.196 5 0 "[ . 1]" 1 575 1 106 TRP QB 1 143 ALA MB 4.150 . 4.150 3.944 3.661 4.199 0.049 6 0 "[ . 1]" 1 576 1 106 TRP HB2 1 140 LEU MD1 3.520 . 3.520 2.555 2.278 3.569 0.049 5 0 "[ . 1]" 1 577 1 106 TRP HB2 1 140 LEU MD2 3.520 . 3.520 3.205 2.521 3.557 0.037 10 0 "[ . 1]" 1 578 1 106 TRP HB3 1 140 LEU MD1 3.520 . 3.520 2.303 2.046 3.567 0.047 5 0 "[ . 1]" 1 579 1 106 TRP HB3 1 140 LEU MD2 3.520 . 3.520 2.727 2.001 3.235 . 0 0 "[ . 1]" 1 580 1 107 ASN H 1 107 ASN QB 3.590 . 3.590 2.364 2.332 2.420 . 0 0 "[ . 1]" 1 581 1 107 ASN H 1 141 VAL H 4.400 . 4.400 3.604 3.363 4.021 . 0 0 "[ . 1]" 1 582 1 107 ASN H 1 141 VAL QG 4.060 . 4.060 2.953 2.505 3.273 . 0 0 "[ . 1]" 1 583 1 107 ASN H 1 142 LYS HA 4.390 . 4.390 3.998 3.662 4.528 0.138 6 0 "[ . 1]" 1 584 1 107 ASN HA 1 108 LEU H 3.440 . 3.440 2.266 2.230 2.356 . 0 0 "[ . 1]" 1 585 1 107 ASN QB 1 108 LEU H 4.060 . 4.060 2.814 2.651 2.927 . 0 0 "[ . 1]" 1 586 1 107 ASN QB 1 108 LEU HA 4.290 . 4.290 4.226 4.184 4.269 . 0 0 "[ . 1]" 1 587 1 107 ASN QB 1 141 VAL QG 1.560 . 1.560 1.916 1.875 1.947 0.387 9 0 "[ . 1]" 1 588 1 107 ASN HB2 1 141 VAL MG1 3.520 . 3.520 2.570 2.175 4.005 0.485 10 0 "[ . 1]" 1 589 1 107 ASN HB2 1 141 VAL MG2 3.520 . 3.520 2.973 1.965 3.418 . 0 0 "[ . 1]" 1 590 1 107 ASN HB3 1 141 VAL MG1 3.520 . 3.520 2.472 2.090 3.776 0.256 6 0 "[ . 1]" 1 591 1 107 ASN HB3 1 141 VAL MG2 3.520 . 3.520 3.470 2.412 3.773 0.253 1 0 "[ . 1]" 1 592 1 108 LEU H 1 108 LEU HB2 4.130 . 4.130 2.619 2.364 2.899 . 0 0 "[ . 1]" 1 593 1 108 LEU H 1 108 LEU QB 3.390 . 3.390 2.422 2.334 2.484 . 0 0 "[ . 1]" 1 594 1 108 LEU H 1 108 LEU HB3 4.130 . 4.130 3.248 2.585 3.708 . 0 0 "[ . 1]" 1 595 1 108 LEU H 1 140 LEU QD 4.300 . 4.300 4.235 3.854 4.457 0.157 4 0 "[ . 1]" 1 596 1 108 LEU H 1 141 VAL QG 4.140 . 4.140 3.481 3.302 3.892 . 0 0 "[ . 1]" 1 597 1 108 LEU HA 1 108 LEU QD 3.260 . 3.260 2.384 1.997 3.016 . 0 0 "[ . 1]" 1 598 1 108 LEU HA 1 109 ARG H 3.420 . 3.420 2.133 2.116 2.142 . 0 0 "[ . 1]" 1 599 1 108 LEU HA 1 141 VAL QG 3.740 . 3.740 2.896 2.747 3.296 . 0 0 "[ . 1]" 1 600 1 108 LEU QB 1 108 LEU QD 1.560 . 1.560 1.918 1.889 1.999 0.439 8 0 "[ . 1]" 1 601 1 108 LEU QB 1 109 ARG H 4.390 . 4.390 3.507 3.187 3.831 . 0 0 "[ . 1]" 1 602 1 108 LEU HB2 1 108 LEU MD1 3.520 . 3.520 2.427 2.184 3.209 . 0 0 "[ . 1]" 1 603 1 108 LEU HB2 1 108 LEU MD2 3.520 . 3.520 2.689 2.330 3.206 . 0 0 "[ . 1]" 1 604 1 108 LEU HB3 1 108 LEU MD1 3.520 . 3.520 2.785 2.194 3.206 . 0 0 "[ . 1]" 1 605 1 108 LEU HB3 1 108 LEU MD2 3.520 . 3.520 2.426 2.178 3.206 . 0 0 "[ . 1]" 1 606 1 108 LEU QD 1 141 VAL H 5.200 . 5.200 4.037 3.309 4.705 . 0 0 "[ . 1]" 1 607 1 109 ARG H 1 109 ARG QD 4.840 . 4.840 4.778 4.592 4.939 0.099 4 0 "[ . 1]" 1 608 1 109 ARG H 1 139 ALA H 4.220 . 4.220 3.320 2.999 3.663 . 0 0 "[ . 1]" 1 609 1 109 ARG H 1 139 ALA MB 4.900 . 4.900 3.816 3.536 4.091 . 0 0 "[ . 1]" 1 610 1 109 ARG H 1 141 VAL QG 4.350 . 4.350 2.398 2.236 2.664 . 0 0 "[ . 1]" 1 611 1 109 ARG HA 1 109 ARG QD 3.920 . 3.920 4.054 3.926 4.192 0.272 2 0 "[ . 1]" 1 612 1 109 ARG HA 1 110 ILE H 3.520 . 3.520 2.194 2.158 2.312 . 0 0 "[ . 1]" 1 613 1 109 ARG HA 1 141 VAL QG 4.920 . 4.920 3.458 3.255 3.852 . 0 0 "[ . 1]" 1 614 1 109 ARG QB 1 110 ILE H 4.240 . 4.240 3.586 3.369 3.654 . 0 0 "[ . 1]" 1 615 1 109 ARG QB 1 141 VAL QG 1.560 . 1.560 1.919 1.824 1.972 0.412 1 0 "[ . 1]" 1 616 1 109 ARG HB2 1 141 VAL MG1 3.520 . 3.520 2.077 2.020 2.312 . 0 0 "[ . 1]" 1 617 1 109 ARG HB2 1 141 VAL MG2 3.520 . 3.520 3.241 3.000 3.574 0.054 7 0 "[ . 1]" 1 618 1 109 ARG HB3 1 141 VAL MG1 3.520 . 3.520 2.441 1.997 2.823 . 0 0 "[ . 1]" 1 619 1 109 ARG HB3 1 141 VAL MG2 3.520 . 3.520 3.787 3.669 3.915 0.395 6 0 "[ . 1]" 1 620 1 109 ARG QD 1 141 VAL HB 4.200 . 4.200 3.322 3.002 4.263 0.063 6 0 "[ . 1]" 1 621 1 109 ARG QD 1 141 VAL QG 3.670 . 3.670 2.794 2.291 3.300 . 0 0 "[ . 1]" 1 622 1 110 ILE H 1 110 ILE HB 3.510 . 3.510 2.562 2.403 2.683 . 0 0 "[ . 1]" 1 623 1 110 ILE H 1 110 ILE MG 4.080 . 4.080 2.287 1.779 3.746 . 0 0 "[ . 1]" 1 624 1 110 ILE H 1 111 VAL H 4.620 . 4.620 4.596 4.557 4.618 . 0 0 "[ . 1]" 1 625 1 110 ILE HA 1 110 ILE MD 4.340 . 4.340 3.561 2.101 3.836 . 0 0 "[ . 1]" 1 626 1 110 ILE HA 1 110 ILE QG 3.710 . 3.710 2.377 2.272 2.985 . 0 0 "[ . 1]" 1 627 1 110 ILE HA 1 111 VAL H 3.330 . 3.330 2.227 2.174 2.289 . 0 0 "[ . 1]" 1 628 1 110 ILE HB 1 111 VAL H 4.280 . 4.280 4.033 3.879 4.144 . 0 0 "[ . 1]" 1 629 1 110 ILE MD 1 118 ASP QB 4.720 . 4.720 4.417 3.938 4.881 0.161 3 0 "[ . 1]" 1 630 1 110 ILE QG 1 111 VAL H 4.480 . 4.480 2.604 2.056 3.843 . 0 0 "[ . 1]" 1 631 1 110 ILE MG 1 111 VAL H 3.720 . 3.720 3.352 2.005 3.835 0.115 3 0 "[ . 1]" 1 632 1 110 ILE MG 1 118 ASP HA 5.170 . 5.170 4.814 4.323 5.175 0.005 8 0 "[ . 1]" 1 633 1 110 ILE MG 1 118 ASP HB2 4.220 . 4.220 2.765 2.272 3.570 . 0 0 "[ . 1]" 1 634 1 110 ILE MG 1 118 ASP HB3 4.220 . 4.220 3.293 2.272 4.127 . 0 0 "[ . 1]" 1 635 1 111 VAL H 1 111 VAL QG 3.460 . 3.460 2.073 1.912 2.758 . 0 0 "[ . 1]" 1 636 1 111 VAL H 1 138 PHE HA 4.220 . 4.220 3.074 2.786 3.987 . 0 0 "[ . 1]" 1 637 1 111 VAL HA 1 112 GLU H 3.420 . 3.420 2.294 2.195 2.358 . 0 0 "[ . 1]" 1 638 1 111 VAL HA 1 118 ASP H 4.510 . 4.510 3.456 2.866 4.106 . 0 0 "[ . 1]" 1 639 1 111 VAL HB 1 112 GLU H 4.030 . 4.030 2.921 2.538 4.070 0.040 4 0 "[ . 1]" 1 640 1 111 VAL HB 1 115 GLY HA2 5.090 . 5.090 3.191 2.439 5.065 . 0 0 "[ . 1]" 1 641 1 111 VAL QG 1 112 GLU H 3.560 . 3.560 3.056 2.228 3.348 . 0 0 "[ . 1]" 1 642 1 111 VAL QG 1 115 GLY H 4.050 . 4.050 3.810 3.069 4.129 0.079 7 0 "[ . 1]" 1 643 1 111 VAL QG 1 115 GLY HA2 3.720 . 3.720 2.872 2.263 3.243 . 0 0 "[ . 1]" 1 644 1 111 VAL QG 1 116 GLU H 4.580 . 4.580 4.299 3.098 4.638 0.058 6 0 "[ . 1]" 1 645 1 111 VAL QG 1 137 ALA MB 3.790 . 3.790 2.958 2.682 3.362 . 0 0 "[ . 1]" 1 646 1 111 VAL QG 1 138 PHE HA 3.330 . 3.330 2.660 2.459 2.857 . 0 0 "[ . 1]" 1 647 1 111 VAL QG 1 138 PHE HB2 4.730 . 4.730 4.832 4.768 4.935 0.205 7 0 "[ . 1]" 1 648 1 111 VAL QG 1 139 ALA H 3.920 . 3.920 3.016 2.834 3.228 . 0 0 "[ . 1]" 1 649 1 111 VAL QG 1 139 ALA HA 3.790 . 3.790 3.669 3.368 3.792 0.002 6 0 "[ . 1]" 1 650 1 111 VAL MG1 1 112 GLU H 4.290 . 4.290 3.613 2.243 4.032 . 0 0 "[ . 1]" 1 651 1 111 VAL MG1 1 115 GLY HA2 4.550 . 4.550 3.809 2.408 4.342 . 0 0 "[ . 1]" 1 652 1 111 VAL MG2 1 112 GLU H 4.290 . 4.290 3.485 2.247 3.802 . 0 0 "[ . 1]" 1 653 1 111 VAL MG2 1 115 GLY HA2 4.550 . 4.550 3.192 2.272 4.591 0.041 4 0 "[ . 1]" 1 654 1 112 GLU H 1 112 GLU QB 3.340 . 3.340 2.318 2.240 2.383 . 0 0 "[ . 1]" 1 655 1 112 GLU H 1 115 GLY H 4.440 . 4.440 3.801 3.655 3.987 . 0 0 "[ . 1]" 1 656 1 112 GLU H 1 117 LEU HA 4.300 . 4.300 4.052 3.529 4.303 0.003 5 0 "[ . 1]" 1 657 1 112 GLU H 1 118 ASP H 5.500 . 5.500 4.722 4.207 5.036 . 0 0 "[ . 1]" 1 658 1 112 GLU HA 1 113 ASP H 3.230 . 3.230 2.492 2.378 2.600 . 0 0 "[ . 1]" 1 659 1 112 GLU QB 1 113 ASP H 3.330 . 3.330 2.475 1.893 3.337 0.007 4 0 "[ . 1]" 1 660 1 112 GLU QB 1 114 ASP H 3.790 . 3.790 2.501 2.312 3.127 . 0 0 "[ . 1]" 1 661 1 112 GLU HB2 1 113 ASP H 3.980 . 3.980 3.585 3.189 3.999 0.019 8 0 "[ . 1]" 1 662 1 112 GLU HB3 1 113 ASP H 3.980 . 3.980 2.562 1.907 3.625 . 0 0 "[ . 1]" 1 663 1 112 GLU QG 1 113 ASP H 3.760 . 3.760 3.155 1.789 3.955 0.195 5 0 "[ . 1]" 1 664 1 112 GLU QG 1 114 ASP H 4.380 . 4.380 3.713 1.781 4.518 0.138 6 0 "[ . 1]" 1 665 1 113 ASP H 1 113 ASP QB 3.300 . 3.300 2.347 2.247 2.576 . 0 0 "[ . 1]" 1 666 1 113 ASP H 1 114 ASP H 3.980 . 3.980 2.571 2.491 2.700 . 0 0 "[ . 1]" 1 667 1 113 ASP H 1 115 GLY H 4.470 . 4.470 3.982 3.766 4.074 . 0 0 "[ . 1]" 1 668 1 113 ASP H 1 116 GLU H 5.290 . 5.290 5.147 4.910 5.304 0.014 9 0 "[ . 1]" 1 669 1 113 ASP HA 1 114 ASP H 3.540 . 3.540 3.449 3.403 3.520 . 0 0 "[ . 1]" 1 670 1 113 ASP QB 1 114 ASP H 3.550 . 3.550 2.990 2.702 3.614 0.064 3 0 "[ . 1]" 1 671 1 114 ASP H 1 114 ASP QB 3.630 . 3.630 2.395 2.310 2.792 . 0 0 "[ . 1]" 1 672 1 114 ASP H 1 116 GLU H 4.360 . 4.360 3.426 3.293 3.583 . 0 0 "[ . 1]" 1 673 1 114 ASP H 1 116 GLU QB 4.530 . 4.530 4.412 4.299 4.551 0.021 9 0 "[ . 1]" 1 674 1 115 GLY H 1 116 GLU H 3.570 . 3.570 2.428 2.372 2.467 . 0 0 "[ . 1]" 1 675 1 116 GLU H 1 116 GLU QB 3.140 . 3.140 2.363 2.345 2.383 . 0 0 "[ . 1]" 1 676 1 116 GLU H 1 116 GLU HG2 4.280 . 4.280 3.428 2.293 3.884 . 0 0 "[ . 1]" 1 677 1 116 GLU H 1 116 GLU QG 3.650 . 3.650 2.410 2.269 2.656 . 0 0 "[ . 1]" 1 678 1 116 GLU H 1 116 GLU HG3 4.280 . 4.280 2.702 2.311 3.720 . 0 0 "[ . 1]" 1 679 1 116 GLU H 1 117 LEU H 4.530 . 4.530 4.565 4.352 4.611 0.081 4 0 "[ . 1]" 1 680 1 116 GLU HA 1 116 GLU HG2 3.730 . 3.730 2.539 2.431 2.915 . 0 0 "[ . 1]" 1 681 1 116 GLU HA 1 116 GLU QG 3.200 . 3.200 2.419 2.308 2.812 . 0 0 "[ . 1]" 1 682 1 116 GLU HA 1 116 GLU HG3 3.730 . 3.730 3.054 2.848 3.695 . 0 0 "[ . 1]" 1 683 1 116 GLU HA 1 117 LEU H 2.920 . 2.920 2.251 2.133 2.451 . 0 0 "[ . 1]" 1 684 1 116 GLU QB 1 117 LEU H 3.650 . 3.650 2.822 2.283 3.416 . 0 0 "[ . 1]" 1 685 1 117 LEU H 1 117 LEU HB2 3.730 . 3.730 2.427 2.283 2.553 . 0 0 "[ . 1]" 1 686 1 117 LEU H 1 117 LEU QB 3.160 . 3.160 2.389 2.257 2.503 . 0 0 "[ . 1]" 1 687 1 117 LEU H 1 117 LEU HB3 3.730 . 3.730 3.591 3.544 3.674 . 0 0 "[ . 1]" 1 688 1 117 LEU H 1 117 LEU HG 3.550 . 3.550 2.782 2.051 3.716 0.166 8 0 "[ . 1]" 1 689 1 117 LEU H 1 118 ASP H 4.630 . 4.630 4.577 4.452 4.629 . 0 0 "[ . 1]" 1 690 1 117 LEU HA 1 117 LEU QD 3.650 . 3.650 2.278 2.029 2.802 . 0 0 "[ . 1]" 1 691 1 117 LEU HA 1 117 LEU HG 3.690 . 3.690 2.894 2.286 3.662 . 0 0 "[ . 1]" 1 692 1 117 LEU HA 1 118 ASP H 3.160 . 3.160 2.203 2.143 2.280 . 0 0 "[ . 1]" 1 693 1 117 LEU HA 1 118 ASP QB 4.890 . 4.890 4.131 3.982 4.319 . 0 0 "[ . 1]" 1 694 1 117 LEU QB 1 118 ASP H 3.740 . 3.740 2.954 2.645 3.195 . 0 0 "[ . 1]" 1 695 1 117 LEU HB2 1 118 ASP H 4.440 . 4.440 4.060 3.791 4.236 . 0 0 "[ . 1]" 1 696 1 117 LEU HB3 1 118 ASP H 4.440 . 4.440 3.036 2.700 3.321 . 0 0 "[ . 1]" 1 697 1 117 LEU QD 1 118 ASP H 4.000 . 4.000 3.586 3.068 4.118 0.118 7 0 "[ . 1]" 1 698 1 118 ASP H 1 118 ASP HB2 3.790 . 3.790 2.560 2.291 2.742 . 0 0 "[ . 1]" 1 699 1 118 ASP H 1 118 ASP QB 3.330 . 3.330 2.327 2.265 2.397 . 0 0 "[ . 1]" 1 700 1 118 ASP H 1 118 ASP HB3 3.790 . 3.790 2.888 2.499 3.654 . 0 0 "[ . 1]" 1 701 1 118 ASP HA 1 119 GLU H 3.440 . 3.440 2.162 2.133 2.222 . 0 0 "[ . 1]" 1 702 1 118 ASP HA 1 120 ASP H 4.370 . 4.370 3.558 3.313 4.070 . 0 0 "[ . 1]" 1 703 1 118 ASP QB 1 119 GLU H 4.320 . 4.320 3.706 2.972 3.934 . 0 0 "[ . 1]" 1 704 1 118 ASP QB 1 120 ASP H 4.410 . 4.410 3.462 2.339 4.086 . 0 0 "[ . 1]" 1 705 1 118 ASP QB 1 121 PHE H 4.050 . 4.050 3.050 2.480 3.407 . 0 0 "[ . 1]" 1 706 1 119 GLU H 1 119 GLU HB2 3.730 . 3.730 2.530 2.380 3.606 . 0 0 "[ . 1]" 1 707 1 119 GLU H 1 119 GLU HB3 3.730 . 3.730 3.405 2.571 3.608 . 0 0 "[ . 1]" 1 708 1 119 GLU H 1 120 ASP H 3.590 . 3.590 2.571 2.340 2.735 . 0 0 "[ . 1]" 1 709 1 119 GLU H 1 121 PHE H 4.670 . 4.670 4.223 3.976 4.483 . 0 0 "[ . 1]" 1 710 1 119 GLU HA 1 119 GLU QG 3.910 . 3.910 2.488 2.318 3.450 . 0 0 "[ . 1]" 1 711 1 119 GLU QB 1 120 ASP H 4.280 . 4.280 3.069 2.605 3.789 . 0 0 "[ . 1]" 1 712 1 120 ASP H 1 121 PHE H 3.450 . 3.450 2.523 2.343 2.633 . 0 0 "[ . 1]" 1 713 1 120 ASP QB 1 121 PHE H 3.960 . 3.960 2.991 2.846 3.175 . 0 0 "[ . 1]" 1 714 1 122 PRO HA 1 123 ALA H 3.110 . 3.110 2.338 2.279 2.418 . 0 0 "[ . 1]" 1 715 1 122 PRO HB2 1 123 ALA H 4.100 . 4.100 2.926 2.620 3.495 . 0 0 "[ . 1]" 1 716 1 122 PRO HB2 1 124 LEU H 4.670 . 4.670 4.847 4.792 4.942 0.272 1 0 "[ . 1]" 1 717 1 122 PRO HB3 1 123 ALA H 3.550 . 3.550 3.525 3.139 3.648 0.098 4 0 "[ . 1]" 1 718 1 123 ALA H 1 123 ALA MB 3.100 . 3.100 2.383 2.257 2.501 . 0 0 "[ . 1]" 1 719 1 123 ALA H 1 124 LEU H 5.010 . 5.010 4.265 4.172 4.381 . 0 0 "[ . 1]" 1 720 1 123 ALA HA 1 124 LEU H 3.210 . 3.210 2.137 2.122 2.151 . 0 0 "[ . 1]" 1 721 1 123 ALA HA 1 124 LEU QD 3.970 . 3.970 3.614 2.686 4.059 0.089 2 0 "[ . 1]" 1 722 1 123 ALA MB 1 124 LEU H 3.600 . 3.600 3.312 3.294 3.333 . 0 0 "[ . 1]" 1 723 1 124 LEU H 1 124 LEU QD 3.820 . 3.820 2.658 1.580 3.213 . 0 0 "[ . 1]" 1 724 1 124 LEU HA 1 124 LEU MD1 4.090 . 4.090 3.283 2.076 3.812 . 0 0 "[ . 1]" 1 725 1 124 LEU HA 1 124 LEU QD 3.120 . 3.120 2.240 2.050 2.769 . 0 0 "[ . 1]" 1 726 1 124 LEU HA 1 124 LEU MD2 4.090 . 4.090 2.687 2.096 3.724 . 0 0 "[ . 1]" 1 727 1 124 LEU HA 1 125 ASP H 3.080 . 3.080 2.325 2.196 2.974 . 0 0 "[ . 1]" 1 728 1 124 LEU HA 1 125 ASP QB 4.640 . 4.640 4.078 3.863 4.363 . 0 0 "[ . 1]" 1 729 1 124 LEU QB 1 125 ASP H 3.770 . 3.770 2.652 1.740 2.951 . 0 0 "[ . 1]" 1 730 1 124 LEU QD 1 125 ASP H 3.770 . 3.770 3.585 3.306 3.952 0.182 3 0 "[ . 1]" 1 731 1 124 LEU MD1 1 125 ASP H 4.600 . 4.600 4.410 3.507 4.809 0.209 2 0 "[ . 1]" 1 732 1 124 LEU MD2 1 125 ASP H 4.600 . 4.600 3.947 3.536 4.747 0.147 7 0 "[ . 1]" 1 733 1 125 ASP H 1 125 ASP QB 3.140 . 3.140 2.986 2.790 3.290 0.150 10 0 "[ . 1]" 1 734 1 125 ASP HA 1 127 VAL H 4.350 . 4.350 4.509 4.422 4.557 0.207 6 0 "[ . 1]" 1 735 1 125 ASP QB 1 126 ARG H 4.110 . 4.110 2.231 1.748 2.757 . 0 0 "[ . 1]" 1 736 1 125 ASP QB 1 126 ARG QB 4.320 . 4.320 3.741 3.396 4.103 . 0 0 "[ . 1]" 1 737 1 125 ASP QB 1 127 VAL H 4.430 . 4.430 2.639 2.495 2.926 . 0 0 "[ . 1]" 1 738 1 125 ASP QB 1 127 VAL QG 3.480 . 3.480 2.389 2.237 2.912 . 0 0 "[ . 1]" 1 739 1 125 ASP QB 1 128 GLY H 4.250 . 4.250 3.449 3.172 3.832 . 0 0 "[ . 1]" 1 740 1 126 ARG H 1 126 ARG QB 3.300 . 3.300 2.319 2.223 2.477 . 0 0 "[ . 1]" 1 741 1 126 ARG H 1 127 VAL H 3.800 . 3.800 2.661 2.600 2.749 . 0 0 "[ . 1]" 1 742 1 126 ARG H 1 127 VAL QG 4.910 . 4.910 3.594 3.420 3.801 . 0 0 "[ . 1]" 1 743 1 126 ARG H 1 128 GLY H 4.510 . 4.510 3.863 3.776 3.946 . 0 0 "[ . 1]" 1 744 1 126 ARG QB 1 127 VAL H 4.000 . 4.000 2.638 2.556 2.760 . 0 0 "[ . 1]" 1 745 1 127 VAL H 1 127 VAL HB 4.050 . 4.050 3.124 2.550 3.620 . 0 0 "[ . 1]" 1 746 1 127 VAL H 1 127 VAL MG1 3.940 . 3.940 2.035 1.823 2.267 . 0 0 "[ . 1]" 1 747 1 127 VAL H 1 127 VAL QG 3.010 . 3.010 1.847 1.762 1.989 . 0 0 "[ . 1]" 1 748 1 127 VAL H 1 127 VAL MG2 3.940 . 3.940 2.848 1.840 3.777 . 0 0 "[ . 1]" 1 749 1 127 VAL HA 1 127 VAL MG1 3.560 . 3.560 2.784 2.329 3.201 . 0 0 "[ . 1]" 1 750 1 127 VAL HA 1 127 VAL QG 2.870 . 2.870 2.276 2.204 2.364 . 0 0 "[ . 1]" 1 751 1 127 VAL HA 1 127 VAL MG2 3.560 . 3.560 2.742 2.246 3.205 . 0 0 "[ . 1]" 1 752 1 127 VAL QG 1 128 GLY H 3.640 . 3.640 2.645 2.346 2.793 . 0 0 "[ . 1]" 1 753 1 127 VAL QG 1 128 GLY QA 2.750 . 2.750 3.028 2.863 3.112 0.362 4 0 "[ . 1]" 1 754 1 129 PRO HA 1 130 LEU H 3.430 . 3.430 2.145 2.038 2.205 . 0 0 "[ . 1]" 1 755 1 129 PRO HA 1 130 LEU HB2 5.040 . 5.040 4.590 4.372 5.382 0.342 7 0 "[ . 1]" 1 756 1 129 PRO HA 1 130 LEU QB 4.330 . 4.330 4.117 4.020 4.617 0.287 7 0 "[ . 1]" 1 757 1 129 PRO HA 1 130 LEU HB3 5.040 . 5.040 4.666 4.516 5.025 . 0 0 "[ . 1]" 1 758 1 129 PRO HA 1 131 SER H 4.410 . 4.410 4.035 3.957 4.183 . 0 0 "[ . 1]" 1 759 1 129 PRO HA 1 132 LYS H 4.620 . 4.620 4.572 4.510 4.675 0.055 8 0 "[ . 1]" 1 760 1 129 PRO HB2 1 130 LEU H 4.310 . 4.310 3.905 3.745 3.993 . 0 0 "[ . 1]" 1 761 1 129 PRO HB2 1 131 SER H 4.390 . 4.390 3.813 3.519 3.969 . 0 0 "[ . 1]" 1 762 1 129 PRO HB2 1 132 LYS H 3.850 . 3.850 2.769 2.441 3.017 . 0 0 "[ . 1]" 1 763 1 129 PRO HB2 1 132 LYS QG 4.410 . 4.410 3.641 2.069 4.408 . 0 0 "[ . 1]" 1 764 1 129 PRO HB3 1 130 LEU H 4.070 . 4.070 3.523 3.440 3.617 . 0 0 "[ . 1]" 1 765 1 130 LEU H 1 130 LEU HB2 3.710 . 3.710 2.591 2.384 3.353 . 0 0 "[ . 1]" 1 766 1 130 LEU H 1 130 LEU HB3 3.710 . 3.710 2.563 2.424 3.121 . 0 0 "[ . 1]" 1 767 1 130 LEU H 1 130 LEU QD 4.230 . 4.230 3.494 1.812 3.758 . 0 0 "[ . 1]" 1 768 1 130 LEU H 1 131 SER H 4.250 . 4.250 2.682 2.640 2.751 . 0 0 "[ . 1]" 1 769 1 130 LEU HA 1 130 LEU QB 2.570 . 2.570 2.340 2.185 2.396 . 0 0 "[ . 1]" 1 770 1 130 LEU HA 1 130 LEU QD 3.870 . 3.870 2.412 2.069 3.330 . 0 0 "[ . 1]" 1 771 1 130 LEU QB 1 130 LEU QD 1.560 . 1.560 1.904 1.879 1.923 0.363 10 0 "[ . 1]" 1 772 1 130 LEU HB2 1 130 LEU MD1 3.520 . 3.520 2.264 2.148 2.335 . 0 0 "[ . 1]" 1 773 1 130 LEU HB2 1 130 LEU MD2 3.520 . 3.520 2.502 2.247 3.111 . 0 0 "[ . 1]" 1 774 1 130 LEU HB3 1 130 LEU MD1 3.520 . 3.520 3.126 2.770 3.216 . 0 0 "[ . 1]" 1 775 1 130 LEU HB3 1 130 LEU MD2 3.520 . 3.520 2.279 2.173 2.425 . 0 0 "[ . 1]" 1 776 1 131 SER H 1 132 LYS H 3.910 . 3.910 2.709 2.635 2.825 . 0 0 "[ . 1]" 1 777 1 132 LYS H 1 132 LYS QB 3.220 . 3.220 2.279 2.156 2.393 . 0 0 "[ . 1]" 1 778 1 132 LYS H 1 133 PHE H 3.450 . 3.450 2.799 2.728 2.878 . 0 0 "[ . 1]" 1 779 1 132 LYS HA 1 132 LYS QD 3.380 . 3.380 2.767 2.149 3.858 0.478 8 0 "[ . 1]" 1 780 1 132 LYS HA 1 132 LYS QE 4.330 . 4.330 4.184 3.929 4.437 0.107 5 0 "[ . 1]" 1 781 1 133 PHE H 1 133 PHE QB 3.370 . 3.370 2.339 2.286 2.432 . 0 0 "[ . 1]" 1 782 1 133 PHE H 1 134 GLY H 4.020 . 4.020 2.392 2.061 2.577 . 0 0 "[ . 1]" 1 783 1 134 GLY H 1 135 PHE H 3.710 . 3.710 2.658 2.543 2.859 . 0 0 "[ . 1]" 1 784 1 134 GLY HA2 1 135 PHE HA 4.690 . 4.690 4.648 4.554 4.705 0.015 5 0 "[ . 1]" 1 785 1 134 GLY HA3 1 135 PHE HA 4.690 . 4.690 4.520 4.448 4.565 . 0 0 "[ . 1]" 1 786 1 135 PHE H 1 135 PHE QB 3.450 . 3.450 2.279 2.193 2.399 . 0 0 "[ . 1]" 1 787 1 135 PHE HA 1 137 ALA MB 5.370 . 5.370 5.114 4.978 5.295 . 0 0 "[ . 1]" 1 788 1 135 PHE QB 1 136 ASP H 3.770 . 3.770 2.935 2.727 3.090 . 0 0 "[ . 1]" 1 789 1 135 PHE QB 1 137 ALA H 3.360 . 3.360 2.385 2.264 2.497 . 0 0 "[ . 1]" 1 790 1 135 PHE HB2 1 136 ASP H 4.400 . 4.400 4.169 4.027 4.280 . 0 0 "[ . 1]" 1 791 1 135 PHE HB2 1 137 ALA H 4.160 . 4.160 3.820 3.642 3.996 . 0 0 "[ . 1]" 1 792 1 135 PHE HB3 1 136 ASP H 4.400 . 4.400 2.999 2.774 3.170 . 0 0 "[ . 1]" 1 793 1 135 PHE HB3 1 137 ALA H 4.160 . 4.160 2.410 2.282 2.523 . 0 0 "[ . 1]" 1 794 1 136 ASP H 1 136 ASP QB 3.390 . 3.390 2.665 2.357 2.920 . 0 0 "[ . 1]" 1 795 1 136 ASP H 1 137 ALA H 3.300 . 3.300 2.530 2.372 2.663 . 0 0 "[ . 1]" 1 796 1 136 ASP H 1 137 ALA MB 4.570 . 4.570 3.798 3.703 3.938 . 0 0 "[ . 1]" 1 797 1 137 ALA H 1 137 ALA MB 3.220 . 3.220 2.641 2.588 2.703 . 0 0 "[ . 1]" 1 798 1 137 ALA H 1 138 PHE H 4.370 . 4.370 4.324 4.294 4.353 . 0 0 "[ . 1]" 1 799 1 137 ALA HA 1 138 PHE H 3.220 . 3.220 2.204 2.188 2.233 . 0 0 "[ . 1]" 1 800 1 137 ALA MB 1 138 PHE H 3.290 . 3.290 2.860 2.778 2.939 . 0 0 "[ . 1]" 1 801 1 137 ALA MB 1 138 PHE HA 3.920 . 3.920 3.926 3.881 3.957 0.037 1 0 "[ . 1]" 1 802 1 137 ALA MB 1 138 PHE HB2 5.010 . 5.010 5.034 4.980 5.071 0.061 10 0 "[ . 1]" 1 803 1 138 PHE H 1 138 PHE HB3 4.120 . 4.120 3.882 3.834 3.936 . 0 0 "[ . 1]" 1 804 1 138 PHE HA 1 139 ALA H 3.460 . 3.460 2.440 2.386 2.478 . 0 0 "[ . 1]" 1 805 1 138 PHE HB2 1 139 ALA H 4.040 . 4.040 3.592 3.504 3.741 . 0 0 "[ . 1]" 1 806 1 138 PHE HB3 1 139 ALA H 4.320 . 4.320 2.308 2.257 2.406 . 0 0 "[ . 1]" 1 807 1 139 ALA HA 1 140 LEU H 3.360 . 3.360 2.292 2.253 2.330 . 0 0 "[ . 1]" 1 808 1 139 ALA MB 1 140 LEU H 3.580 . 3.580 2.650 2.540 2.726 . 0 0 "[ . 1]" 1 809 1 140 LEU H 1 140 LEU HB2 4.150 . 4.150 2.621 2.220 2.701 . 0 0 "[ . 1]" 1 810 1 140 LEU H 1 140 LEU QB 3.500 . 3.500 2.321 2.191 2.359 . 0 0 "[ . 1]" 1 811 1 140 LEU H 1 140 LEU HB3 4.150 . 4.150 2.664 2.533 3.367 . 0 0 "[ . 1]" 1 812 1 140 LEU HA 1 140 LEU QD 3.180 . 3.180 2.176 2.115 2.226 . 0 0 "[ . 1]" 1 813 1 140 LEU HA 1 140 LEU HG 3.850 . 3.850 2.782 2.597 2.937 . 0 0 "[ . 1]" 1 814 1 140 LEU HA 1 141 VAL H 3.510 . 3.510 2.148 2.133 2.167 . 0 0 "[ . 1]" 1 815 1 140 LEU QB 1 140 LEU QD 1.570 . 1.570 1.899 1.889 1.920 0.350 5 0 "[ . 1]" 1 816 1 140 LEU HB2 1 140 LEU MD1 3.520 . 3.520 2.237 2.183 2.388 . 0 0 "[ . 1]" 1 817 1 140 LEU HB2 1 140 LEU MD2 3.520 . 3.520 2.547 2.379 3.219 . 0 0 "[ . 1]" 1 818 1 140 LEU HB3 1 140 LEU MD1 3.520 . 3.520 3.106 2.258 3.213 . 0 0 "[ . 1]" 1 819 1 140 LEU HB3 1 140 LEU MD2 3.520 . 3.520 2.258 2.206 2.340 . 0 0 "[ . 1]" 1 820 1 140 LEU HG 1 141 VAL H 4.910 . 4.910 2.965 2.541 4.303 . 0 0 "[ . 1]" 1 821 1 141 VAL H 1 141 VAL QG 3.410 . 3.410 2.017 1.947 2.082 . 0 0 "[ . 1]" 1 822 1 141 VAL HA 1 141 VAL MG1 3.550 . 3.550 3.059 2.509 3.202 . 0 0 "[ . 1]" 1 823 1 141 VAL HA 1 141 VAL QG 2.830 . 2.830 2.372 2.339 2.423 . 0 0 "[ . 1]" 1 824 1 141 VAL HA 1 141 VAL MG2 3.550 . 3.550 2.581 2.405 3.182 . 0 0 "[ . 1]" 1 825 1 141 VAL HA 1 142 LYS H 3.170 . 3.170 2.187 2.148 2.251 . 0 0 "[ . 1]" 1 826 1 141 VAL QG 1 142 LYS H 3.980 . 3.980 2.547 2.047 3.491 . 0 0 "[ . 1]" 1 827 1 141 VAL QG 1 142 LYS HA 4.560 . 4.560 3.874 3.770 4.087 . 0 0 "[ . 1]" 1 828 1 142 LYS H 1 142 LYS HB2 3.770 . 3.770 2.744 2.186 3.599 . 0 0 "[ . 1]" 1 829 1 142 LYS H 1 142 LYS QB 3.160 . 3.160 2.258 2.123 2.486 . 0 0 "[ . 1]" 1 830 1 142 LYS H 1 142 LYS HB3 3.770 . 3.770 2.604 2.376 2.882 . 0 0 "[ . 1]" 1 831 1 142 LYS H 1 143 ALA H 4.640 . 4.640 4.546 4.481 4.609 . 0 0 "[ . 1]" 1 832 1 142 LYS HA 1 143 ALA H 3.110 . 3.110 2.145 2.110 2.188 . 0 0 "[ . 1]" 1 833 1 142 LYS QB 1 142 LYS QE 4.020 . 4.020 3.688 3.579 3.858 . 0 0 "[ . 1]" 1 834 1 142 LYS QB 1 143 ALA H 4.270 . 4.270 3.503 2.881 3.792 . 0 0 "[ . 1]" 1 835 1 142 LYS QD 1 143 ALA HA 3.880 . 3.880 3.567 3.141 4.061 0.181 2 0 "[ . 1]" 1 836 1 142 LYS QD 1 144 THR H 4.100 . 4.100 3.914 3.008 4.134 0.034 4 0 "[ . 1]" 1 837 1 143 ALA H 1 143 ALA MB 3.510 . 3.510 2.426 2.242 2.550 . 0 0 "[ . 1]" 1 838 1 143 ALA HA 1 144 THR H 3.260 . 3.260 2.293 2.133 3.235 . 0 0 "[ . 1]" 1 839 1 143 ALA HA 1 147 GLN QB 4.760 . 4.760 3.294 2.745 4.249 . 0 0 "[ . 1]" 1 840 1 143 ALA MB 1 144 THR H 3.640 . 3.640 3.010 1.719 3.563 . 0 0 "[ . 1]" 1 841 1 143 ALA MB 1 147 GLN H 5.050 . 5.050 4.628 4.336 4.996 . 0 0 "[ . 1]" 1 842 1 143 ALA MB 1 147 GLN QB 3.480 . 3.480 2.605 2.211 3.277 . 0 0 "[ . 1]" 1 843 1 143 ALA MB 1 148 ILE H 4.450 . 4.450 3.817 3.558 4.214 . 0 0 "[ . 1]" 1 844 1 143 ALA MB 1 148 ILE HA 4.630 . 4.630 3.887 3.528 4.582 . 0 0 "[ . 1]" 1 845 1 143 ALA MB 1 148 ILE QG 3.710 . 3.710 2.499 2.069 3.344 . 0 0 "[ . 1]" 1 846 1 144 THR H 1 147 GLN H 4.650 . 4.650 3.727 3.268 4.009 . 0 0 "[ . 1]" 1 847 1 144 THR H 1 147 GLN QB 3.510 . 3.510 2.728 1.798 3.251 . 0 0 "[ . 1]" 1 848 1 145 PRO HA 1 148 ILE H 3.920 . 3.920 3.435 3.269 3.539 . 0 0 "[ . 1]" 1 849 1 145 PRO HA 1 148 ILE HB 4.000 . 4.000 2.479 2.295 3.113 . 0 0 "[ . 1]" 1 850 1 145 PRO HA 1 148 ILE MD 3.710 . 3.710 2.489 2.097 3.893 0.183 3 0 "[ . 1]" 1 851 1 145 PRO HA 1 148 ILE MG 4.420 . 4.420 3.787 3.655 4.174 . 0 0 "[ . 1]" 1 852 1 145 PRO QB 1 146 ALA H 3.720 . 3.720 2.663 2.455 3.199 . 0 0 "[ . 1]" 1 853 1 145 PRO HB2 1 146 ALA H 4.460 . 4.460 2.707 2.482 3.315 . 0 0 "[ . 1]" 1 854 1 145 PRO HB3 1 146 ALA H 4.460 . 4.460 4.012 3.879 4.211 . 0 0 "[ . 1]" 1 855 1 146 ALA H 1 146 ALA MB 3.370 . 3.370 2.223 2.199 2.235 . 0 0 "[ . 1]" 1 856 1 146 ALA H 1 147 GLN H 3.890 . 3.890 2.749 2.613 2.841 . 0 0 "[ . 1]" 1 857 1 146 ALA MB 1 147 GLN H 3.420 . 3.420 2.419 2.289 2.645 . 0 0 "[ . 1]" 1 858 1 146 ALA MB 1 147 GLN QB 4.170 . 4.170 4.040 3.510 4.208 0.038 10 0 "[ . 1]" 1 859 1 147 GLN H 1 147 GLN QB 3.180 . 3.180 2.355 2.266 2.451 . 0 0 "[ . 1]" 1 860 1 147 GLN H 1 148 ILE H 3.780 . 3.780 2.547 2.359 2.618 . 0 0 "[ . 1]" 1 861 1 147 GLN QB 1 148 ILE H 3.950 . 3.950 2.686 2.584 2.811 . 0 0 "[ . 1]" 1 862 1 147 GLN QB 1 149 LYS H 5.140 . 5.140 4.807 4.683 4.927 . 0 0 "[ . 1]" 1 863 1 147 GLN QB 1 150 GLU H 4.840 . 4.840 4.896 4.818 4.974 0.134 8 0 "[ . 1]" 1 864 1 147 GLN QB 1 151 ASN H 5.260 . 5.260 4.695 4.308 5.205 . 0 0 "[ . 1]" 1 865 1 148 ILE H 1 148 ILE HB 3.740 . 3.740 2.454 2.384 2.607 . 0 0 "[ . 1]" 1 866 1 148 ILE H 1 148 ILE MD 4.280 . 4.280 3.382 2.797 3.530 . 0 0 "[ . 1]" 1 867 1 148 ILE H 1 148 ILE QG 4.170 . 4.170 2.176 1.946 2.263 . 0 0 "[ . 1]" 1 868 1 148 ILE H 1 148 ILE MG 3.840 . 3.840 3.745 3.730 3.762 . 0 0 "[ . 1]" 1 869 1 148 ILE H 1 149 LYS H 3.850 . 3.850 2.669 2.610 2.711 . 0 0 "[ . 1]" 1 870 1 148 ILE HA 1 148 ILE MD 4.390 . 4.390 3.638 2.086 3.829 . 0 0 "[ . 1]" 1 871 1 148 ILE HA 1 148 ILE MG 3.480 . 3.480 2.377 2.286 2.431 . 0 0 "[ . 1]" 1 872 1 148 ILE HB 1 149 LYS H 3.290 . 3.290 2.595 2.551 2.638 . 0 0 "[ . 1]" 1 873 1 148 ILE MG 1 149 LYS H 3.980 . 3.980 3.346 3.243 3.600 . 0 0 "[ . 1]" 1 874 1 148 ILE MG 1 149 LYS HA 4.030 . 4.030 3.395 3.269 3.690 . 0 0 "[ . 1]" 1 875 1 149 LYS H 1 149 LYS QB 3.110 . 3.110 2.287 2.238 2.396 . 0 0 "[ . 1]" 1 876 1 149 LYS H 1 150 GLU QG 5.500 . 5.500 4.362 3.878 4.566 . 0 0 "[ . 1]" 1 877 1 150 GLU H 1 150 GLU QB 3.160 . 3.160 2.401 2.350 2.725 . 0 0 "[ . 1]" 1 878 1 150 GLU H 1 150 GLU QG 3.580 . 3.580 2.229 1.762 2.332 . 0 0 "[ . 1]" 1 879 1 150 GLU H 1 151 ASN H 3.570 . 3.570 2.625 2.518 2.717 . 0 0 "[ . 1]" 1 880 1 150 GLU H 1 151 ASN QB 4.620 . 4.620 4.471 4.280 4.611 . 0 0 "[ . 1]" 1 881 1 150 GLU QB 1 151 ASN H 3.550 . 3.550 2.604 2.371 3.360 . 0 0 "[ . 1]" 1 882 1 150 GLU QG 1 151 ASN H 5.440 . 5.440 3.879 1.976 4.141 . 0 0 "[ . 1]" 1 883 1 151 ASN H 1 151 ASN QB 3.610 . 3.610 2.299 2.247 2.377 . 0 0 "[ . 1]" 1 884 1 151 ASN H 1 152 GLN H 3.840 . 3.840 2.672 2.624 2.758 . 0 0 "[ . 1]" 1 885 1 151 ASN QB 1 152 GLN H 3.740 . 3.740 2.567 2.451 2.635 . 0 0 "[ . 1]" 1 886 1 152 GLN H 1 152 GLN QB 3.540 . 3.540 2.334 2.233 2.572 . 0 0 "[ . 1]" 1 887 1 152 GLN H 1 152 GLN QG 4.120 . 4.120 3.369 1.861 4.054 . 0 0 "[ . 1]" 1 888 1 152 GLN H 1 153 ALA H 3.790 . 3.790 2.662 2.458 2.837 . 0 0 "[ . 1]" 1 889 1 152 GLN HA 1 155 TYR H 3.930 . 3.930 3.418 3.204 3.527 . 0 0 "[ . 1]" 1 890 1 152 GLN QB 1 153 ALA H 3.910 . 3.910 2.851 2.452 3.701 . 0 0 "[ . 1]" 1 891 1 152 GLN QG 1 153 ALA H 3.950 . 3.950 3.199 2.042 3.663 . 0 0 "[ . 1]" 1 892 1 152 GLN QG 1 153 ALA MB 4.650 . 4.650 3.986 2.970 4.415 . 0 0 "[ . 1]" 1 893 1 153 ALA H 1 153 ALA MB 3.160 . 3.160 2.221 2.199 2.234 . 0 0 "[ . 1]" 1 894 1 153 ALA H 1 155 TYR H 4.590 . 4.590 4.070 3.763 4.233 . 0 0 "[ . 1]" 1 895 1 154 ALA H 1 154 ALA MB 3.080 . 3.080 2.231 2.171 2.272 . 0 0 "[ . 1]" 1 896 1 154 ALA H 1 155 TYR H 3.270 . 3.270 2.591 2.417 2.675 . 0 0 "[ . 1]" 1 897 1 154 ALA MB 1 155 TYR H 3.600 . 3.600 2.659 2.432 3.185 . 0 0 "[ . 1]" 1 898 1 154 ALA MB 1 156 PRO QD 4.330 . 4.330 4.361 4.289 4.429 0.099 1 0 "[ . 1]" 1 899 1 156 PRO HA 1 157 PHE H 3.030 . 3.030 2.235 2.196 2.260 . 0 0 "[ . 1]" 1 900 1 156 PRO HA 1 157 PHE QB 4.320 . 4.320 4.088 4.012 4.115 . 0 0 "[ . 1]" 1 901 1 156 PRO QB 1 157 PHE H 4.200 . 4.200 3.115 3.072 3.246 . 0 0 "[ . 1]" 1 902 1 157 PHE H 1 157 PHE QB 3.480 . 3.480 2.322 2.267 2.555 . 0 0 "[ . 1]" 1 903 1 157 PHE HA 1 158 LYS H 3.330 . 3.330 2.154 2.134 2.216 . 0 0 "[ . 1]" 1 904 1 157 PHE QB 1 158 LYS H 4.280 . 4.280 3.774 3.592 3.848 . 0 0 "[ . 1]" 1 905 1 158 LYS H 1 158 LYS QB 3.890 . 3.890 2.411 2.296 2.586 . 0 0 "[ . 1]" 1 906 1 158 LYS QB 1 158 LYS QE 2.620 . 2.620 2.167 2.137 2.193 . 0 0 "[ . 1]" 1 907 1 159 SER HA 1 160 LYS H 3.400 . 3.400 2.235 2.194 2.289 . 0 0 "[ . 1]" 1 stop_ save_
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