data_16094_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16094 _Entry.PDB_ID 2KCR _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 10 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 8 . 1 1 1 A 3 3 GLN H H 3 8.469 8.088 0.381 1 1 9 . 1 1 1 A 3 3 GLN HA H 3 4.197 4.092 0.105 1 1 14 . 1 1 1 A 4 4 ASP H H 4 8.217 7.756 0.461 1 1 15 . 1 1 1 A 4 4 ASP HA H 4 4.433 4.936 -0.503 1 1 18 . 1 1 1 A 5 5 TYR H H 5 8.698 9.610 -0.912 1 1 19 . 1 1 1 A 5 5 TYR HA H 5 4.222 4.311 -0.089 1 1 22 . 1 1 1 A 6 6 ARG H H 6 8.720 8.700 0.020 1 1 23 . 1 1 1 A 6 6 ARG HA H 6 3.419 4.159 -0.740 1 1 30 . 1 1 1 A 7 7 CYS H H 7 7.509 8.033 -0.524 1 1 31 . 1 1 1 A 7 7 CYS HA H 7 4.272 4.461 -0.189 1 1 34 . 1 1 1 A 8 8 GLN H H 8 7.414 8.131 -0.717 1 1 35 . 1 1 1 A 8 8 GLN HA H 8 4.377 4.623 -0.246 1 1 40 . 1 1 1 A 9 9 LEU H H 9 7.127 8.347 -1.220 1 1 41 . 1 1 1 A 9 9 LEU HA H 9 4.476 4.225 0.251 1 1 51 . 1 1 1 A 10 10 SER H H 10 8.746 8.290 0.456 1 1 52 . 1 1 1 A 10 10 SER HA H 10 4.405 4.969 -0.564 1 1 55 . 1 1 1 A 11 11 ARG H H 11 8.381 8.300 0.081 1 1 56 . 1 1 1 A 11 11 ARG HA H 11 3.595 4.521 -0.926 1 1 63 . 1 1 1 A 12 12 ASN H H 12 8.316 8.295 0.021 1 1 64 . 1 1 1 A 12 12 ASN HA H 12 4.806 4.649 0.157 1 1 67 . 1 1 1 A 13 13 TYR H H 13 9.093 7.823 1.270 1 1 68 . 1 1 1 A 13 13 TYR HA H 13 4.865 4.670 0.195 1 1 71 . 1 1 1 A 14 14 GLY H H 14 7.990 8.234 -0.244 1 1 72 . 1 1 1 A 14 14 GLY HA2 H 14 4.010 4.033 -0.023 1 1 73 . 1 1 1 A 14 14 GLY HA3 H 14 3.477 4.140 -0.663 1 1 74 . 1 1 1 A 15 15 LYS H H 15 8.697 8.365 0.332 1 1 75 . 1 1 1 A 15 15 LYS HA H 15 4.598 4.176 0.422 1 1 84 . 1 1 1 A 16 16 GLY H H 16 8.349 7.643 0.706 1 1 85 . 1 1 1 A 16 16 GLY HA2 H 16 4.363 4.079 0.284 1 1 86 . 1 1 1 A 16 16 GLY HA3 H 16 3.688 4.087 -0.399 1 1 87 . 1 1 1 A 17 17 SER H H 17 8.579 8.837 -0.258 1 1 88 . 1 1 1 A 17 17 SER HA H 17 4.650 4.585 0.065 1 1 91 . 1 1 1 A 18 18 GLY H H 18 8.200 7.903 0.297 1 1 92 . 1 1 1 A 18 18 GLY HA2 H 18 3.923 3.943 -0.020 1 1 93 . 1 1 1 A 18 18 GLY HA3 H 18 3.341 3.944 -0.603 1 1 94 . 1 1 1 A 19 19 SER H H 19 7.548 7.957 -0.409 1 1 95 . 1 1 1 A 19 19 SER HA H 19 4.109 4.306 -0.197 1 1 98 . 1 1 1 A 20 20 PHE H H 20 8.641 9.232 -0.591 1 1 99 . 1 1 1 A 20 20 PHE HA H 20 4.708 4.641 0.067 1 1 102 . 1 1 1 A 21 21 THR H H 21 9.177 7.985 1.192 1 1 103 . 1 1 1 A 21 21 THR HA H 21 4.332 4.529 -0.197 1 1 108 . 1 1 1 A 22 22 ASN H H 22 8.895 8.801 0.094 1 1 109 . 1 1 1 A 22 22 ASN HA H 22 5.008 5.575 -0.567 1 1 114 . 1 1 1 A 23 23 TYR H H 23 9.428 10.046 -0.618 1 1 115 . 1 1 1 A 23 23 TYR HA H 23 5.725 5.900 -0.175 1 1 122 . 1 1 1 A 24 24 TYR H H 24 9.800 9.964 -0.164 1 1 123 . 1 1 1 A 24 24 TYR HA H 24 5.141 5.501 -0.360 1 1 130 . 1 1 1 A 25 25 TYR H H 25 10.492 9.205 1.287 1 1 131 . 1 1 1 A 25 25 TYR HA H 25 4.394 4.575 -0.181 1 1 138 . 1 1 1 A 26 26 ASP H H 26 8.656 8.394 0.262 1 1 139 . 1 1 1 A 26 26 ASP HA H 26 4.524 4.599 -0.075 1 1 142 . 1 1 1 A 27 27 LYS H H 27 8.314 8.550 -0.236 1 1 143 . 1 1 1 A 27 27 LYS HA H 27 3.710 4.159 -0.449 1 1 152 . 1 1 1 A 28 28 ALA H H 28 8.217 7.743 0.474 1 1 153 . 1 1 1 A 28 28 ALA HA H 28 4.140 4.268 -0.128 1 1 157 . 1 1 1 A 29 29 THR H H 29 7.010 7.435 -0.425 1 1 158 . 1 1 1 A 29 29 THR HA H 29 4.431 4.477 -0.046 1 1 162 . 1 1 1 A 30 30 SER H H 30 7.756 7.567 0.189 1 1 163 . 1 1 1 A 30 30 SER HA H 30 3.872 4.033 -0.161 1 1 166 . 1 1 1 A 31 31 SER H H 31 7.321 6.761 0.560 1 1 167 . 1 1 1 A 31 31 SER HA H 31 4.731 4.982 -0.251 1 1 170 . 1 1 1 A 32 32 CYS H H 32 8.935 8.313 0.622 1 1 171 . 1 1 1 A 32 32 CYS HA H 32 5.431 5.251 0.180 1 1 174 . 1 1 1 A 33 33 LYS H H 33 8.848 8.697 0.151 1 1 175 . 1 1 1 A 33 33 LYS HA H 33 4.802 4.856 -0.054 1 1 184 . 1 1 1 A 34 34 THR H H 34 8.172 8.544 -0.372 1 1 185 . 1 1 1 A 34 34 THR HA H 34 5.027 5.433 -0.406 1 1 190 . 1 1 1 A 35 35 PHE H H 35 9.298 9.392 -0.094 1 1 191 . 1 1 1 A 35 35 PHE HA H 35 4.956 4.981 -0.025 1 1 198 . 1 1 1 A 36 36 ARG H H 36 8.421 9.040 -0.619 1 1 199 . 1 1 1 A 36 36 ARG HA H 36 4.509 3.965 0.544 1 1 206 . 1 1 1 A 37 37 TYR H H 37 8.675 7.226 1.449 1 1 207 . 1 1 1 A 37 37 TYR HA H 37 4.904 2.858 2.046 1 1 210 . 1 1 1 A 38 38 ARG H H 38 8.469 8.294 0.175 1 1 211 . 1 1 1 A 38 38 ARG HA H 38 4.293 3.844 0.449 1 1 218 . 1 1 1 A 39 39 GLY H H 39 8.696 8.274 0.422 1 1 219 . 1 1 1 A 40 40 SER H H 40 7.568 7.925 -0.357 1 1 220 . 1 1 1 A 40 40 SER HA H 40 4.850 4.644 0.206 1 1 223 . 1 1 1 A 41 41 GLY H H 41 8.913 7.845 1.068 1 1 224 . 1 1 1 A 41 41 GLY HA2 H 41 4.042 3.995 0.047 1 1 225 . 1 1 1 A 41 41 GLY HA3 H 41 3.922 4.001 -0.079 1 1 226 . 1 1 1 A 42 42 GLY H H 42 9.134 7.720 1.414 1 1 227 . 1 1 1 A 43 43 ASN H H 43 8.595 8.485 0.110 1 1 228 . 1 1 1 A 43 43 ASN HA H 43 4.540 4.851 -0.311 1 1 233 . 1 1 1 A 46 46 ARG H H 46 7.194 8.456 -1.262 1 1 234 . 1 1 1 A 46 46 ARG HA H 46 4.776 4.664 0.112 1 1 241 . 1 1 1 A 47 47 PHE H H 47 9.821 9.280 0.541 1 1 242 . 1 1 1 A 47 47 PHE HA H 47 4.958 4.987 -0.029 1 1 249 . 1 1 1 A 48 48 LYS H H 48 9.851 8.806 1.045 1 1 250 . 1 1 1 A 48 48 LYS HA H 48 4.366 4.567 -0.201 1 1 259 . 1 1 1 A 49 49 THR H H 49 7.212 7.797 -0.585 1 1 260 . 1 1 1 A 49 49 THR HA H 49 4.654 4.285 0.369 1 1 265 . 1 1 1 A 50 50 LEU H H 50 8.060 7.901 0.159 1 1 266 . 1 1 1 A 50 50 LEU HA H 50 2.905 3.822 -0.917 1 1 276 . 1 1 1 A 51 51 GLU H H 51 8.924 8.765 0.159 1 1 277 . 1 1 1 A 51 51 GLU HA H 51 3.880 4.168 -0.288 1 1 282 . 1 1 1 A 52 52 ASP H H 52 7.863 7.584 0.279 1 1 283 . 1 1 1 A 52 52 ASP HA H 52 4.357 4.196 0.161 1 1 286 . 1 1 1 A 53 53 CYS H H 53 7.044 7.922 -0.878 1 1 287 . 1 1 1 A 53 53 CYS HA H 53 1.886 3.016 -1.130 1 1 290 . 1 1 1 A 54 54 GLU H H 54 8.840 9.020 -0.180 1 1 291 . 1 1 1 A 54 54 GLU HA H 54 3.634 3.944 -0.310 1 1 296 . 1 1 1 A 55 55 ALA H H 55 8.292 7.574 0.718 1 1 297 . 1 1 1 A 55 55 ALA HA H 55 3.999 4.361 -0.362 1 1 301 . 1 1 1 A 56 56 THR H H 56 7.184 7.680 -0.496 1 1 302 . 1 1 1 A 56 56 THR HA H 56 3.924 3.763 0.161 1 1 307 . 1 1 1 A 57 57 CYS H H 57 7.658 8.096 -0.438 1 1 308 . 1 1 1 A 57 57 CYS HA H 57 4.711 4.117 0.594 1 1 311 . 1 1 1 A 58 58 VAL H H 58 8.253 7.636 0.617 1 1 312 . 1 1 1 A 58 58 VAL HA H 58 4.138 3.638 0.500 1 1 320 . 1 1 1 A 59 59 THR H H 59 8.143 8.029 0.114 1 1 321 . 1 1 1 A 59 59 THR HA H 59 4.272 4.312 -0.040 1 1 326 . 1 1 1 A 60 60 ALA H H 60 8.074 7.459 0.615 1 1 327 . 1 1 1 A 60 60 ALA HA H 60 4.347 4.184 0.163 1 1 8 . 2 1 1 A 3 3 GLN H H 3 8.469 7.927 0.542 1 1 9 . 2 1 1 A 3 3 GLN HA H 3 4.197 4.104 0.093 1 1 14 . 2 1 1 A 4 4 ASP H H 4 8.217 7.595 0.622 1 1 15 . 2 1 1 A 4 4 ASP HA H 4 4.433 4.795 -0.362 1 1 18 . 2 1 1 A 5 5 TYR H H 5 8.698 9.262 -0.564 1 1 19 . 2 1 1 A 5 5 TYR HA H 5 4.222 4.399 -0.177 1 1 22 . 2 1 1 A 6 6 ARG H H 6 8.720 8.545 0.175 1 1 23 . 2 1 1 A 6 6 ARG HA H 6 3.419 4.170 -0.751 1 1 30 . 2 1 1 A 7 7 CYS H H 7 7.509 7.645 -0.136 1 1 31 . 2 1 1 A 7 7 CYS HA H 7 4.272 4.574 -0.302 1 1 34 . 2 1 1 A 8 8 GLN H H 8 7.414 7.483 -0.069 1 1 35 . 2 1 1 A 8 8 GLN HA H 8 4.377 4.646 -0.269 1 1 40 . 2 1 1 A 9 9 LEU H H 9 7.127 8.443 -1.316 1 1 41 . 2 1 1 A 9 9 LEU HA H 9 4.476 4.084 0.392 1 1 51 . 2 1 1 A 10 10 SER H H 10 8.746 8.391 0.355 1 1 52 . 2 1 1 A 10 10 SER HA H 10 4.405 4.821 -0.416 1 1 55 . 2 1 1 A 11 11 ARG H H 11 8.381 8.697 -0.316 1 1 56 . 2 1 1 A 11 11 ARG HA H 11 3.595 3.938 -0.343 1 1 63 . 2 1 1 A 12 12 ASN H H 12 8.316 8.245 0.071 1 1 64 . 2 1 1 A 12 12 ASN HA H 12 4.806 4.621 0.185 1 1 67 . 2 1 1 A 13 13 TYR H H 13 9.093 7.898 1.195 1 1 68 . 2 1 1 A 13 13 TYR HA H 13 4.865 4.793 0.072 1 1 71 . 2 1 1 A 14 14 GLY H H 14 7.990 7.310 0.680 1 1 72 . 2 1 1 A 14 14 GLY HA2 H 14 4.010 3.908 0.102 1 1 73 . 2 1 1 A 14 14 GLY HA3 H 14 3.477 4.120 -0.643 1 1 74 . 2 1 1 A 15 15 LYS H H 15 8.697 8.597 0.100 1 1 75 . 2 1 1 A 15 15 LYS HA H 15 4.598 3.997 0.601 1 1 84 . 2 1 1 A 16 16 GLY H H 16 8.349 7.278 1.071 1 1 85 . 2 1 1 A 16 16 GLY HA2 H 16 4.363 4.112 0.251 1 1 86 . 2 1 1 A 16 16 GLY HA3 H 16 3.688 4.113 -0.425 1 1 87 . 2 1 1 A 17 17 SER H H 17 8.579 8.921 -0.342 1 1 88 . 2 1 1 A 17 17 SER HA H 17 4.650 4.687 -0.037 1 1 91 . 2 1 1 A 18 18 GLY H H 18 8.200 7.542 0.658 1 1 92 . 2 1 1 A 18 18 GLY HA2 H 18 3.923 4.169 -0.246 1 1 93 . 2 1 1 A 18 18 GLY HA3 H 18 3.341 4.173 -0.832 1 1 94 . 2 1 1 A 19 19 SER H H 19 7.548 8.513 -0.965 1 1 95 . 2 1 1 A 19 19 SER HA H 19 4.109 4.306 -0.197 1 1 98 . 2 1 1 A 20 20 PHE H H 20 8.641 8.580 0.061 1 1 99 . 2 1 1 A 20 20 PHE HA H 20 4.708 4.634 0.074 1 1 102 . 2 1 1 A 21 21 THR H H 21 9.177 8.182 0.995 1 1 103 . 2 1 1 A 21 21 THR HA H 21 4.332 4.696 -0.364 1 1 108 . 2 1 1 A 22 22 ASN H H 22 8.895 8.960 -0.065 1 1 109 . 2 1 1 A 22 22 ASN HA H 22 5.008 5.618 -0.610 1 1 114 . 2 1 1 A 23 23 TYR H H 23 9.428 9.838 -0.410 1 1 115 . 2 1 1 A 23 23 TYR HA H 23 5.725 5.851 -0.126 1 1 122 . 2 1 1 A 24 24 TYR H H 24 9.800 9.936 -0.136 1 1 123 . 2 1 1 A 24 24 TYR HA H 24 5.141 5.420 -0.279 1 1 130 . 2 1 1 A 25 25 TYR H H 25 10.492 9.157 1.335 1 1 131 . 2 1 1 A 25 25 TYR HA H 25 4.394 4.546 -0.152 1 1 138 . 2 1 1 A 26 26 ASP H H 26 8.656 8.754 -0.098 1 1 139 . 2 1 1 A 26 26 ASP HA H 26 4.524 4.729 -0.205 1 1 142 . 2 1 1 A 27 27 LYS H H 27 8.314 8.518 -0.204 1 1 143 . 2 1 1 A 27 27 LYS HA H 27 3.710 4.440 -0.730 1 1 152 . 2 1 1 A 28 28 ALA H H 28 8.217 8.118 0.099 1 1 153 . 2 1 1 A 28 28 ALA HA H 28 4.140 4.286 -0.146 1 1 157 . 2 1 1 A 29 29 THR H H 29 7.010 7.793 -0.783 1 1 158 . 2 1 1 A 29 29 THR HA H 29 4.431 4.541 -0.110 1 1 162 . 2 1 1 A 30 30 SER H H 30 7.756 7.524 0.232 1 1 163 . 2 1 1 A 30 30 SER HA H 30 3.872 4.049 -0.177 1 1 166 . 2 1 1 A 31 31 SER H H 31 7.321 7.118 0.203 1 1 167 . 2 1 1 A 31 31 SER HA H 31 4.731 4.768 -0.037 1 1 170 . 2 1 1 A 32 32 CYS H H 32 8.935 8.248 0.687 1 1 171 . 2 1 1 A 32 32 CYS HA H 32 5.431 5.232 0.199 1 1 174 . 2 1 1 A 33 33 LYS H H 33 8.848 8.917 -0.069 1 1 175 . 2 1 1 A 33 33 LYS HA H 33 4.802 5.054 -0.252 1 1 184 . 2 1 1 A 34 34 THR H H 34 8.172 8.554 -0.382 1 1 185 . 2 1 1 A 34 34 THR HA H 34 5.027 5.440 -0.413 1 1 190 . 2 1 1 A 35 35 PHE H H 35 9.298 9.520 -0.222 1 1 191 . 2 1 1 A 35 35 PHE HA H 35 4.956 4.966 -0.010 1 1 198 . 2 1 1 A 36 36 ARG H H 36 8.421 8.713 -0.292 1 1 199 . 2 1 1 A 36 36 ARG HA H 36 4.509 3.843 0.666 1 1 206 . 2 1 1 A 37 37 TYR H H 37 8.675 6.461 2.214 1 1 207 . 2 1 1 A 37 37 TYR HA H 37 4.904 3.255 1.649 1 1 210 . 2 1 1 A 38 38 ARG H H 38 8.469 8.251 0.218 1 1 211 . 2 1 1 A 38 38 ARG HA H 38 4.293 4.328 -0.035 1 1 218 . 2 1 1 A 39 39 GLY H H 39 8.696 8.300 0.396 1 1 219 . 2 1 1 A 40 40 SER H H 40 7.568 7.873 -0.305 1 1 220 . 2 1 1 A 40 40 SER HA H 40 4.850 4.831 0.019 1 1 223 . 2 1 1 A 41 41 GLY H H 41 8.913 8.566 0.347 1 1 224 . 2 1 1 A 41 41 GLY HA2 H 41 4.042 4.259 -0.217 1 1 225 . 2 1 1 A 41 41 GLY HA3 H 41 3.922 4.285 -0.363 1 1 226 . 2 1 1 A 42 42 GLY H H 42 9.134 8.826 0.308 1 1 227 . 2 1 1 A 43 43 ASN H H 43 8.595 8.353 0.242 1 1 228 . 2 1 1 A 43 43 ASN HA H 43 4.540 4.736 -0.196 1 1 233 . 2 1 1 A 46 46 ARG H H 46 7.194 8.481 -1.287 1 1 234 . 2 1 1 A 46 46 ARG HA H 46 4.776 4.958 -0.182 1 1 241 . 2 1 1 A 47 47 PHE H H 47 9.821 9.585 0.236 1 1 242 . 2 1 1 A 47 47 PHE HA H 47 4.958 5.009 -0.051 1 1 249 . 2 1 1 A 48 48 LYS H H 48 9.851 9.058 0.793 1 1 250 . 2 1 1 A 48 48 LYS HA H 48 4.366 4.564 -0.198 1 1 259 . 2 1 1 A 49 49 THR H H 49 7.212 7.671 -0.459 1 1 260 . 2 1 1 A 49 49 THR HA H 49 4.654 4.352 0.302 1 1 265 . 2 1 1 A 50 50 LEU H H 50 8.060 8.183 -0.123 1 1 266 . 2 1 1 A 50 50 LEU HA H 50 2.905 3.824 -0.919 1 1 276 . 2 1 1 A 51 51 GLU H H 51 8.924 8.518 0.406 1 1 277 . 2 1 1 A 51 51 GLU HA H 51 3.880 3.934 -0.054 1 1 282 . 2 1 1 A 52 52 ASP H H 52 7.863 8.017 -0.154 1 1 283 . 2 1 1 A 52 52 ASP HA H 52 4.357 4.244 0.113 1 1 286 . 2 1 1 A 53 53 CYS H H 53 7.044 7.858 -0.814 1 1 287 . 2 1 1 A 53 53 CYS HA H 53 1.886 3.057 -1.171 1 1 290 . 2 1 1 A 54 54 GLU H H 54 8.840 8.942 -0.102 1 1 291 . 2 1 1 A 54 54 GLU HA H 54 3.634 3.989 -0.355 1 1 296 . 2 1 1 A 55 55 ALA H H 55 8.292 7.769 0.523 1 1 297 . 2 1 1 A 55 55 ALA HA H 55 3.999 4.017 -0.018 1 1 301 . 2 1 1 A 56 56 THR H H 56 7.184 7.647 -0.463 1 1 302 . 2 1 1 A 56 56 THR HA H 56 3.924 3.722 0.202 1 1 307 . 2 1 1 A 57 57 CYS H H 57 7.658 8.039 -0.381 1 1 308 . 2 1 1 A 57 57 CYS HA H 57 4.711 4.290 0.421 1 1 311 . 2 1 1 A 58 58 VAL H H 58 8.253 7.702 0.551 1 1 312 . 2 1 1 A 58 58 VAL HA H 58 4.138 3.666 0.472 1 1 320 . 2 1 1 A 59 59 THR H H 59 8.143 7.588 0.555 1 1 321 . 2 1 1 A 59 59 THR HA H 59 4.272 4.039 0.233 1 1 326 . 2 1 1 A 60 60 ALA H H 60 8.074 7.310 0.764 1 1 327 . 2 1 1 A 60 60 ALA HA H 60 4.347 4.090 0.257 1 1 8 . 3 1 1 A 3 3 GLN H H 3 8.469 8.491 -0.022 1 1 9 . 3 1 1 A 3 3 GLN HA H 3 4.197 4.288 -0.091 1 1 14 . 3 1 1 A 4 4 ASP H H 4 8.217 7.556 0.661 1 1 15 . 3 1 1 A 4 4 ASP HA H 4 4.433 4.924 -0.491 1 1 18 . 3 1 1 A 5 5 TYR H H 5 8.698 9.105 -0.407 1 1 19 . 3 1 1 A 5 5 TYR HA H 5 4.222 4.495 -0.273 1 1 22 . 3 1 1 A 6 6 ARG H H 6 8.720 8.876 -0.156 1 1 23 . 3 1 1 A 6 6 ARG HA H 6 3.419 4.148 -0.729 1 1 30 . 3 1 1 A 7 7 CYS H H 7 7.509 7.961 -0.452 1 1 31 . 3 1 1 A 7 7 CYS HA H 7 4.272 4.660 -0.388 1 1 34 . 3 1 1 A 8 8 GLN H H 8 7.414 7.589 -0.175 1 1 35 . 3 1 1 A 8 8 GLN HA H 8 4.377 4.546 -0.169 1 1 40 . 3 1 1 A 9 9 LEU H H 9 7.127 7.840 -0.713 1 1 41 . 3 1 1 A 9 9 LEU HA H 9 4.476 4.275 0.201 1 1 51 . 3 1 1 A 10 10 SER H H 10 8.746 8.468 0.278 1 1 52 . 3 1 1 A 10 10 SER HA H 10 4.405 5.179 -0.774 1 1 55 . 3 1 1 A 11 11 ARG H H 11 8.381 8.529 -0.148 1 1 56 . 3 1 1 A 11 11 ARG HA H 11 3.595 4.414 -0.819 1 1 63 . 3 1 1 A 12 12 ASN H H 12 8.316 8.361 -0.045 1 1 64 . 3 1 1 A 12 12 ASN HA H 12 4.806 4.640 0.166 1 1 67 . 3 1 1 A 13 13 TYR H H 13 9.093 8.225 0.868 1 1 68 . 3 1 1 A 13 13 TYR HA H 13 4.865 4.663 0.202 1 1 71 . 3 1 1 A 14 14 GLY H H 14 7.990 8.149 -0.159 1 1 72 . 3 1 1 A 14 14 GLY HA2 H 14 4.010 3.775 0.235 1 1 73 . 3 1 1 A 14 14 GLY HA3 H 14 3.477 3.850 -0.373 1 1 74 . 3 1 1 A 15 15 LYS H H 15 8.697 8.524 0.173 1 1 75 . 3 1 1 A 15 15 LYS HA H 15 4.598 4.193 0.405 1 1 84 . 3 1 1 A 16 16 GLY H H 16 8.349 7.615 0.734 1 1 85 . 3 1 1 A 16 16 GLY HA2 H 16 4.363 4.069 0.294 1 1 86 . 3 1 1 A 16 16 GLY HA3 H 16 3.688 4.094 -0.406 1 1 87 . 3 1 1 A 17 17 SER H H 17 8.579 8.866 -0.287 1 1 88 . 3 1 1 A 17 17 SER HA H 17 4.650 4.251 0.399 1 1 91 . 3 1 1 A 18 18 GLY H H 18 8.200 8.129 0.071 1 1 92 . 3 1 1 A 18 18 GLY HA2 H 18 3.923 4.026 -0.103 1 1 93 . 3 1 1 A 18 18 GLY HA3 H 18 3.341 4.059 -0.718 1 1 94 . 3 1 1 A 19 19 SER H H 19 7.548 8.081 -0.533 1 1 95 . 3 1 1 A 19 19 SER HA H 19 4.109 4.349 -0.240 1 1 98 . 3 1 1 A 20 20 PHE H H 20 8.641 9.410 -0.769 1 1 99 . 3 1 1 A 20 20 PHE HA H 20 4.708 4.681 0.027 1 1 102 . 3 1 1 A 21 21 THR H H 21 9.177 8.113 1.064 1 1 103 . 3 1 1 A 21 21 THR HA H 21 4.332 5.005 -0.673 1 1 108 . 3 1 1 A 22 22 ASN H H 22 8.895 9.297 -0.402 1 1 109 . 3 1 1 A 22 22 ASN HA H 22 5.008 5.663 -0.655 1 1 114 . 3 1 1 A 23 23 TYR H H 23 9.428 9.906 -0.478 1 1 115 . 3 1 1 A 23 23 TYR HA H 23 5.725 5.724 0.001 1 1 122 . 3 1 1 A 24 24 TYR H H 24 9.800 9.144 0.656 1 1 123 . 3 1 1 A 24 24 TYR HA H 24 5.141 5.446 -0.305 1 1 130 . 3 1 1 A 25 25 TYR H H 25 10.492 9.241 1.251 1 1 131 . 3 1 1 A 25 25 TYR HA H 25 4.394 4.521 -0.127 1 1 138 . 3 1 1 A 26 26 ASP H H 26 8.656 8.787 -0.131 1 1 139 . 3 1 1 A 26 26 ASP HA H 26 4.524 4.895 -0.371 1 1 142 . 3 1 1 A 27 27 LYS H H 27 8.314 8.772 -0.458 1 1 143 . 3 1 1 A 27 27 LYS HA H 27 3.710 4.254 -0.544 1 1 152 . 3 1 1 A 28 28 ALA H H 28 8.217 8.153 0.064 1 1 153 . 3 1 1 A 28 28 ALA HA H 28 4.140 4.331 -0.191 1 1 157 . 3 1 1 A 29 29 THR H H 29 7.010 7.351 -0.341 1 1 158 . 3 1 1 A 29 29 THR HA H 29 4.431 4.512 -0.081 1 1 162 . 3 1 1 A 30 30 SER H H 30 7.756 7.899 -0.143 1 1 163 . 3 1 1 A 30 30 SER HA H 30 3.872 4.084 -0.212 1 1 166 . 3 1 1 A 31 31 SER H H 31 7.321 6.727 0.594 1 1 167 . 3 1 1 A 31 31 SER HA H 31 4.731 4.185 0.546 1 1 170 . 3 1 1 A 32 32 CYS H H 32 8.935 8.231 0.704 1 1 171 . 3 1 1 A 32 32 CYS HA H 32 5.431 4.879 0.552 1 1 174 . 3 1 1 A 33 33 LYS H H 33 8.848 9.075 -0.227 1 1 175 . 3 1 1 A 33 33 LYS HA H 33 4.802 4.563 0.239 1 1 184 . 3 1 1 A 34 34 THR H H 34 8.172 8.604 -0.432 1 1 185 . 3 1 1 A 34 34 THR HA H 34 5.027 5.542 -0.515 1 1 190 . 3 1 1 A 35 35 PHE H H 35 9.298 9.359 -0.061 1 1 191 . 3 1 1 A 35 35 PHE HA H 35 4.956 5.003 -0.047 1 1 198 . 3 1 1 A 36 36 ARG H H 36 8.421 9.036 -0.615 1 1 199 . 3 1 1 A 36 36 ARG HA H 36 4.509 4.098 0.411 1 1 206 . 3 1 1 A 37 37 TYR H H 37 8.675 7.556 1.119 1 1 207 . 3 1 1 A 37 37 TYR HA H 37 4.904 3.252 1.652 1 1 210 . 3 1 1 A 38 38 ARG H H 38 8.469 8.251 0.218 1 1 211 . 3 1 1 A 38 38 ARG HA H 38 4.293 4.071 0.222 1 1 218 . 3 1 1 A 39 39 GLY H H 39 8.696 7.935 0.761 1 1 219 . 3 1 1 A 40 40 SER H H 40 7.568 8.861 -1.293 1 1 220 . 3 1 1 A 40 40 SER HA H 40 4.850 4.042 0.808 1 1 223 . 3 1 1 A 41 41 GLY H H 41 8.913 8.327 0.586 1 1 224 . 3 1 1 A 41 41 GLY HA2 H 41 4.042 3.963 0.079 1 1 225 . 3 1 1 A 41 41 GLY HA3 H 41 3.922 3.973 -0.051 1 1 226 . 3 1 1 A 42 42 GLY H H 42 9.134 7.724 1.410 1 1 227 . 3 1 1 A 43 43 ASN H H 43 8.595 8.782 -0.187 1 1 228 . 3 1 1 A 43 43 ASN HA H 43 4.540 4.346 0.194 1 1 233 . 3 1 1 A 46 46 ARG H H 46 7.194 8.409 -1.215 1 1 234 . 3 1 1 A 46 46 ARG HA H 46 4.776 5.129 -0.353 1 1 241 . 3 1 1 A 47 47 PHE H H 47 9.821 9.578 0.243 1 1 242 . 3 1 1 A 47 47 PHE HA H 47 4.958 5.051 -0.093 1 1 249 . 3 1 1 A 48 48 LYS H H 48 9.851 9.071 0.780 1 1 250 . 3 1 1 A 48 48 LYS HA H 48 4.366 4.477 -0.111 1 1 259 . 3 1 1 A 49 49 THR H H 49 7.212 7.700 -0.488 1 1 260 . 3 1 1 A 49 49 THR HA H 49 4.654 4.038 0.616 1 1 265 . 3 1 1 A 50 50 LEU H H 50 8.060 7.981 0.079 1 1 266 . 3 1 1 A 50 50 LEU HA H 50 2.905 3.832 -0.927 1 1 276 . 3 1 1 A 51 51 GLU H H 51 8.924 8.662 0.262 1 1 277 . 3 1 1 A 51 51 GLU HA H 51 3.880 3.948 -0.068 1 1 282 . 3 1 1 A 52 52 ASP H H 52 7.863 7.701 0.162 1 1 283 . 3 1 1 A 52 52 ASP HA H 52 4.357 4.220 0.137 1 1 286 . 3 1 1 A 53 53 CYS H H 53 7.044 7.948 -0.904 1 1 287 . 3 1 1 A 53 53 CYS HA H 53 1.886 3.070 -1.184 1 1 290 . 3 1 1 A 54 54 GLU H H 54 8.840 8.991 -0.151 1 1 291 . 3 1 1 A 54 54 GLU HA H 54 3.634 3.980 -0.346 1 1 296 . 3 1 1 A 55 55 ALA H H 55 8.292 7.671 0.621 1 1 297 . 3 1 1 A 55 55 ALA HA H 55 3.999 4.012 -0.013 1 1 301 . 3 1 1 A 56 56 THR H H 56 7.184 7.576 -0.392 1 1 302 . 3 1 1 A 56 56 THR HA H 56 3.924 3.746 0.178 1 1 307 . 3 1 1 A 57 57 CYS H H 57 7.658 7.931 -0.273 1 1 308 . 3 1 1 A 57 57 CYS HA H 57 4.711 4.189 0.522 1 1 311 . 3 1 1 A 58 58 VAL H H 58 8.253 7.882 0.371 1 1 312 . 3 1 1 A 58 58 VAL HA H 58 4.138 3.675 0.463 1 1 320 . 3 1 1 A 59 59 THR H H 59 8.143 7.773 0.370 1 1 321 . 3 1 1 A 59 59 THR HA H 59 4.272 4.092 0.180 1 1 326 . 3 1 1 A 60 60 ALA H H 60 8.074 7.409 0.665 1 1 327 . 3 1 1 A 60 60 ALA HA H 60 4.347 4.104 0.243 1 1 8 . 4 1 1 A 3 3 GLN H H 3 8.469 8.179 0.290 1 1 9 . 4 1 1 A 3 3 GLN HA H 3 4.197 4.086 0.111 1 1 14 . 4 1 1 A 4 4 ASP H H 4 8.217 7.802 0.415 1 1 15 . 4 1 1 A 4 4 ASP HA H 4 4.433 4.955 -0.522 1 1 18 . 4 1 1 A 5 5 TYR H H 5 8.698 9.569 -0.871 1 1 19 . 4 1 1 A 5 5 TYR HA H 5 4.222 4.346 -0.124 1 1 22 . 4 1 1 A 6 6 ARG H H 6 8.720 8.810 -0.090 1 1 23 . 4 1 1 A 6 6 ARG HA H 6 3.419 4.191 -0.772 1 1 30 . 4 1 1 A 7 7 CYS H H 7 7.509 7.891 -0.382 1 1 31 . 4 1 1 A 7 7 CYS HA H 7 4.272 4.464 -0.192 1 1 34 . 4 1 1 A 8 8 GLN H H 8 7.414 7.720 -0.306 1 1 35 . 4 1 1 A 8 8 GLN HA H 8 4.377 4.537 -0.160 1 1 40 . 4 1 1 A 9 9 LEU H H 9 7.127 8.579 -1.452 1 1 41 . 4 1 1 A 9 9 LEU HA H 9 4.476 4.093 0.383 1 1 51 . 4 1 1 A 10 10 SER H H 10 8.746 8.371 0.375 1 1 52 . 4 1 1 A 10 10 SER HA H 10 4.405 4.774 -0.369 1 1 55 . 4 1 1 A 11 11 ARG H H 11 8.381 8.906 -0.525 1 1 56 . 4 1 1 A 11 11 ARG HA H 11 3.595 4.418 -0.823 1 1 63 . 4 1 1 A 12 12 ASN H H 12 8.316 7.632 0.684 1 1 64 . 4 1 1 A 12 12 ASN HA H 12 4.806 4.743 0.063 1 1 67 . 4 1 1 A 13 13 TYR H H 13 9.093 8.919 0.174 1 1 68 . 4 1 1 A 13 13 TYR HA H 13 4.865 4.754 0.111 1 1 71 . 4 1 1 A 14 14 GLY H H 14 7.990 7.293 0.697 1 1 72 . 4 1 1 A 14 14 GLY HA2 H 14 4.010 4.145 -0.135 1 1 73 . 4 1 1 A 14 14 GLY HA3 H 14 3.477 4.156 -0.679 1 1 74 . 4 1 1 A 15 15 LYS H H 15 8.697 8.502 0.195 1 1 75 . 4 1 1 A 15 15 LYS HA H 15 4.598 4.433 0.165 1 1 84 . 4 1 1 A 16 16 GLY H H 16 8.349 7.844 0.505 1 1 85 . 4 1 1 A 16 16 GLY HA2 H 16 4.363 4.060 0.303 1 1 86 . 4 1 1 A 16 16 GLY HA3 H 16 3.688 4.127 -0.439 1 1 87 . 4 1 1 A 17 17 SER H H 17 8.579 8.635 -0.056 1 1 88 . 4 1 1 A 17 17 SER HA H 17 4.650 4.844 -0.194 1 1 91 . 4 1 1 A 18 18 GLY H H 18 8.200 7.650 0.550 1 1 92 . 4 1 1 A 18 18 GLY HA2 H 18 3.923 4.067 -0.144 1 1 93 . 4 1 1 A 18 18 GLY HA3 H 18 3.341 4.075 -0.734 1 1 94 . 4 1 1 A 19 19 SER H H 19 7.548 8.129 -0.581 1 1 95 . 4 1 1 A 19 19 SER HA H 19 4.109 4.972 -0.863 1 1 98 . 4 1 1 A 20 20 PHE H H 20 8.641 8.770 -0.129 1 1 99 . 4 1 1 A 20 20 PHE HA H 20 4.708 4.843 -0.135 1 1 102 . 4 1 1 A 21 21 THR H H 21 9.177 7.375 1.802 1 1 103 . 4 1 1 A 21 21 THR HA H 21 4.332 5.097 -0.765 1 1 108 . 4 1 1 A 22 22 ASN H H 22 8.895 9.307 -0.412 1 1 109 . 4 1 1 A 22 22 ASN HA H 22 5.008 5.513 -0.505 1 1 114 . 4 1 1 A 23 23 TYR H H 23 9.428 9.866 -0.438 1 1 115 . 4 1 1 A 23 23 TYR HA H 23 5.725 5.825 -0.100 1 1 122 . 4 1 1 A 24 24 TYR H H 24 9.800 9.519 0.281 1 1 123 . 4 1 1 A 24 24 TYR HA H 24 5.141 5.716 -0.575 1 1 130 . 4 1 1 A 25 25 TYR H H 25 10.492 9.216 1.276 1 1 131 . 4 1 1 A 25 25 TYR HA H 25 4.394 4.571 -0.177 1 1 138 . 4 1 1 A 26 26 ASP H H 26 8.656 8.472 0.184 1 1 139 . 4 1 1 A 26 26 ASP HA H 26 4.524 4.958 -0.434 1 1 142 . 4 1 1 A 27 27 LYS H H 27 8.314 8.696 -0.382 1 1 143 . 4 1 1 A 27 27 LYS HA H 27 3.710 4.381 -0.671 1 1 152 . 4 1 1 A 28 28 ALA H H 28 8.217 7.832 0.385 1 1 153 . 4 1 1 A 28 28 ALA HA H 28 4.140 4.252 -0.112 1 1 157 . 4 1 1 A 29 29 THR H H 29 7.010 7.374 -0.364 1 1 158 . 4 1 1 A 29 29 THR HA H 29 4.431 4.532 -0.101 1 1 162 . 4 1 1 A 30 30 SER H H 30 7.756 7.689 0.067 1 1 163 . 4 1 1 A 30 30 SER HA H 30 3.872 4.211 -0.339 1 1 166 . 4 1 1 A 31 31 SER H H 31 7.321 6.586 0.735 1 1 167 . 4 1 1 A 31 31 SER HA H 31 4.731 4.596 0.135 1 1 170 . 4 1 1 A 32 32 CYS H H 32 8.935 8.427 0.508 1 1 171 . 4 1 1 A 32 32 CYS HA H 32 5.431 5.201 0.230 1 1 174 . 4 1 1 A 33 33 LYS H H 33 8.848 9.016 -0.168 1 1 175 . 4 1 1 A 33 33 LYS HA H 33 4.802 4.584 0.218 1 1 184 . 4 1 1 A 34 34 THR H H 34 8.172 8.629 -0.457 1 1 185 . 4 1 1 A 34 34 THR HA H 34 5.027 5.606 -0.579 1 1 190 . 4 1 1 A 35 35 PHE H H 35 9.298 9.252 0.046 1 1 191 . 4 1 1 A 35 35 PHE HA H 35 4.956 5.042 -0.086 1 1 198 . 4 1 1 A 36 36 ARG H H 36 8.421 8.921 -0.500 1 1 199 . 4 1 1 A 36 36 ARG HA H 36 4.509 4.758 -0.249 1 1 206 . 4 1 1 A 37 37 TYR H H 37 8.675 7.148 1.527 1 1 207 . 4 1 1 A 37 37 TYR HA H 37 4.904 2.837 2.067 1 1 210 . 4 1 1 A 38 38 ARG H H 38 8.469 7.624 0.845 1 1 211 . 4 1 1 A 38 38 ARG HA H 38 4.293 5.028 -0.735 1 1 218 . 4 1 1 A 39 39 GLY H H 39 8.696 8.573 0.123 1 1 219 . 4 1 1 A 40 40 SER H H 40 7.568 7.717 -0.149 1 1 220 . 4 1 1 A 40 40 SER HA H 40 4.850 4.681 0.169 1 1 223 . 4 1 1 A 41 41 GLY H H 41 8.913 7.683 1.230 1 1 224 . 4 1 1 A 41 41 GLY HA2 H 41 4.042 4.092 -0.050 1 1 225 . 4 1 1 A 41 41 GLY HA3 H 41 3.922 4.096 -0.174 1 1 226 . 4 1 1 A 42 42 GLY H H 42 9.134 8.381 0.753 1 1 227 . 4 1 1 A 43 43 ASN H H 43 8.595 8.608 -0.013 1 1 228 . 4 1 1 A 43 43 ASN HA H 43 4.540 5.479 -0.939 1 1 233 . 4 1 1 A 46 46 ARG H H 46 7.194 8.634 -1.440 1 1 234 . 4 1 1 A 46 46 ARG HA H 46 4.776 4.923 -0.147 1 1 241 . 4 1 1 A 47 47 PHE H H 47 9.821 8.985 0.836 1 1 242 . 4 1 1 A 47 47 PHE HA H 47 4.958 5.067 -0.109 1 1 249 . 4 1 1 A 48 48 LYS H H 48 9.851 8.996 0.855 1 1 250 . 4 1 1 A 48 48 LYS HA H 48 4.366 4.470 -0.104 1 1 259 . 4 1 1 A 49 49 THR H H 49 7.212 7.702 -0.490 1 1 260 . 4 1 1 A 49 49 THR HA H 49 4.654 3.999 0.655 1 1 265 . 4 1 1 A 50 50 LEU H H 50 8.060 7.758 0.302 1 1 266 . 4 1 1 A 50 50 LEU HA H 50 2.905 3.873 -0.968 1 1 276 . 4 1 1 A 51 51 GLU H H 51 8.924 8.628 0.296 1 1 277 . 4 1 1 A 51 51 GLU HA H 51 3.880 3.949 -0.069 1 1 282 . 4 1 1 A 52 52 ASP H H 52 7.863 7.676 0.187 1 1 283 . 4 1 1 A 52 52 ASP HA H 52 4.357 4.250 0.107 1 1 286 . 4 1 1 A 53 53 CYS H H 53 7.044 7.932 -0.888 1 1 287 . 4 1 1 A 53 53 CYS HA H 53 1.886 3.559 -1.673 1 1 290 . 4 1 1 A 54 54 GLU H H 54 8.840 9.000 -0.160 1 1 291 . 4 1 1 A 54 54 GLU HA H 54 3.634 4.047 -0.413 1 1 296 . 4 1 1 A 55 55 ALA H H 55 8.292 7.739 0.553 1 1 297 . 4 1 1 A 55 55 ALA HA H 55 3.999 4.042 -0.043 1 1 301 . 4 1 1 A 56 56 THR H H 56 7.184 7.702 -0.518 1 1 302 . 4 1 1 A 56 56 THR HA H 56 3.924 3.729 0.195 1 1 307 . 4 1 1 A 57 57 CYS H H 57 7.658 7.783 -0.125 1 1 308 . 4 1 1 A 57 57 CYS HA H 57 4.711 4.315 0.396 1 1 311 . 4 1 1 A 58 58 VAL H H 58 8.253 8.018 0.235 1 1 312 . 4 1 1 A 58 58 VAL HA H 58 4.138 3.658 0.480 1 1 320 . 4 1 1 A 59 59 THR H H 59 8.143 7.764 0.379 1 1 321 . 4 1 1 A 59 59 THR HA H 59 4.272 4.071 0.201 1 1 326 . 4 1 1 A 60 60 ALA H H 60 8.074 7.359 0.715 1 1 327 . 4 1 1 A 60 60 ALA HA H 60 4.347 3.978 0.369 1 1 8 . 5 1 1 A 3 3 GLN H H 3 8.469 7.993 0.476 1 1 9 . 5 1 1 A 3 3 GLN HA H 3 4.197 4.305 -0.108 1 1 14 . 5 1 1 A 4 4 ASP H H 4 8.217 7.730 0.487 1 1 15 . 5 1 1 A 4 4 ASP HA H 4 4.433 4.592 -0.159 1 1 18 . 5 1 1 A 5 5 TYR H H 5 8.698 8.709 -0.011 1 1 19 . 5 1 1 A 5 5 TYR HA H 5 4.222 4.515 -0.293 1 1 22 . 5 1 1 A 6 6 ARG H H 6 8.720 8.104 0.616 1 1 23 . 5 1 1 A 6 6 ARG HA H 6 3.419 4.184 -0.765 1 1 30 . 5 1 1 A 7 7 CYS H H 7 7.509 8.213 -0.704 1 1 31 . 5 1 1 A 7 7 CYS HA H 7 4.272 4.593 -0.321 1 1 34 . 5 1 1 A 8 8 GLN H H 8 7.414 8.234 -0.820 1 1 35 . 5 1 1 A 8 8 GLN HA H 8 4.377 4.568 -0.191 1 1 40 . 5 1 1 A 9 9 LEU H H 9 7.127 7.874 -0.747 1 1 41 . 5 1 1 A 9 9 LEU HA H 9 4.476 4.231 0.245 1 1 51 . 5 1 1 A 10 10 SER H H 10 8.746 8.423 0.323 1 1 52 . 5 1 1 A 10 10 SER HA H 10 4.405 5.263 -0.858 1 1 55 . 5 1 1 A 11 11 ARG H H 11 8.381 8.588 -0.207 1 1 56 . 5 1 1 A 11 11 ARG HA H 11 3.595 4.495 -0.900 1 1 63 . 5 1 1 A 12 12 ASN H H 12 8.316 8.090 0.226 1 1 64 . 5 1 1 A 12 12 ASN HA H 12 4.806 5.284 -0.478 1 1 67 . 5 1 1 A 13 13 TYR H H 13 9.093 8.718 0.375 1 1 68 . 5 1 1 A 13 13 TYR HA H 13 4.865 4.666 0.199 1 1 71 . 5 1 1 A 14 14 GLY H H 14 7.990 8.330 -0.340 1 1 72 . 5 1 1 A 14 14 GLY HA2 H 14 4.010 3.995 0.015 1 1 73 . 5 1 1 A 14 14 GLY HA3 H 14 3.477 4.015 -0.538 1 1 74 . 5 1 1 A 15 15 LYS H H 15 8.697 8.973 -0.276 1 1 75 . 5 1 1 A 15 15 LYS HA H 15 4.598 4.127 0.471 1 1 84 . 5 1 1 A 16 16 GLY H H 16 8.349 7.365 0.984 1 1 85 . 5 1 1 A 16 16 GLY HA2 H 16 4.363 4.023 0.340 1 1 86 . 5 1 1 A 16 16 GLY HA3 H 16 3.688 4.038 -0.350 1 1 87 . 5 1 1 A 17 17 SER H H 17 8.579 8.231 0.348 1 1 88 . 5 1 1 A 17 17 SER HA H 17 4.650 4.655 -0.005 1 1 91 . 5 1 1 A 18 18 GLY H H 18 8.200 8.335 -0.135 1 1 92 . 5 1 1 A 18 18 GLY HA2 H 18 3.923 3.917 0.006 1 1 93 . 5 1 1 A 18 18 GLY HA3 H 18 3.341 3.954 -0.613 1 1 94 . 5 1 1 A 19 19 SER H H 19 7.548 8.185 -0.637 1 1 95 . 5 1 1 A 19 19 SER HA H 19 4.109 4.306 -0.197 1 1 98 . 5 1 1 A 20 20 PHE H H 20 8.641 9.409 -0.768 1 1 99 . 5 1 1 A 20 20 PHE HA H 20 4.708 4.666 0.042 1 1 102 . 5 1 1 A 21 21 THR H H 21 9.177 7.988 1.189 1 1 103 . 5 1 1 A 21 21 THR HA H 21 4.332 4.439 -0.107 1 1 108 . 5 1 1 A 22 22 ASN H H 22 8.895 8.780 0.115 1 1 109 . 5 1 1 A 22 22 ASN HA H 22 5.008 5.667 -0.659 1 1 114 . 5 1 1 A 23 23 TYR H H 23 9.428 9.831 -0.403 1 1 115 . 5 1 1 A 23 23 TYR HA H 23 5.725 5.969 -0.244 1 1 122 . 5 1 1 A 24 24 TYR H H 24 9.800 9.558 0.242 1 1 123 . 5 1 1 A 24 24 TYR HA H 24 5.141 5.660 -0.519 1 1 130 . 5 1 1 A 25 25 TYR H H 25 10.492 9.236 1.256 1 1 131 . 5 1 1 A 25 25 TYR HA H 25 4.394 4.569 -0.175 1 1 138 . 5 1 1 A 26 26 ASP H H 26 8.656 8.611 0.045 1 1 139 . 5 1 1 A 26 26 ASP HA H 26 4.524 5.061 -0.537 1 1 142 . 5 1 1 A 27 27 LYS H H 27 8.314 8.564 -0.250 1 1 143 . 5 1 1 A 27 27 LYS HA H 27 3.710 4.146 -0.436 1 1 152 . 5 1 1 A 28 28 ALA H H 28 8.217 7.709 0.508 1 1 153 . 5 1 1 A 28 28 ALA HA H 28 4.140 4.263 -0.123 1 1 157 . 5 1 1 A 29 29 THR H H 29 7.010 7.465 -0.455 1 1 158 . 5 1 1 A 29 29 THR HA H 29 4.431 4.524 -0.093 1 1 162 . 5 1 1 A 30 30 SER H H 30 7.756 7.647 0.109 1 1 163 . 5 1 1 A 30 30 SER HA H 30 3.872 4.119 -0.247 1 1 166 . 5 1 1 A 31 31 SER H H 31 7.321 6.671 0.650 1 1 167 . 5 1 1 A 31 31 SER HA H 31 4.731 4.516 0.215 1 1 170 . 5 1 1 A 32 32 CYS H H 32 8.935 8.300 0.635 1 1 171 . 5 1 1 A 32 32 CYS HA H 32 5.431 5.336 0.095 1 1 174 . 5 1 1 A 33 33 LYS H H 33 8.848 8.937 -0.089 1 1 175 . 5 1 1 A 33 33 LYS HA H 33 4.802 4.834 -0.032 1 1 184 . 5 1 1 A 34 34 THR H H 34 8.172 8.665 -0.493 1 1 185 . 5 1 1 A 34 34 THR HA H 34 5.027 5.558 -0.531 1 1 190 . 5 1 1 A 35 35 PHE H H 35 9.298 9.126 0.172 1 1 191 . 5 1 1 A 35 35 PHE HA H 35 4.956 4.990 -0.034 1 1 198 . 5 1 1 A 36 36 ARG H H 36 8.421 9.055 -0.634 1 1 199 . 5 1 1 A 36 36 ARG HA H 36 4.509 3.957 0.552 1 1 206 . 5 1 1 A 37 37 TYR H H 37 8.675 7.190 1.485 1 1 207 . 5 1 1 A 37 37 TYR HA H 37 4.904 2.946 1.958 1 1 210 . 5 1 1 A 38 38 ARG H H 38 8.469 8.282 0.187 1 1 211 . 5 1 1 A 38 38 ARG HA H 38 4.293 3.810 0.483 1 1 218 . 5 1 1 A 39 39 GLY H H 39 8.696 8.301 0.395 1 1 219 . 5 1 1 A 40 40 SER H H 40 7.568 7.891 -0.323 1 1 220 . 5 1 1 A 40 40 SER HA H 40 4.850 4.530 0.320 1 1 223 . 5 1 1 A 41 41 GLY H H 41 8.913 7.689 1.224 1 1 224 . 5 1 1 A 41 41 GLY HA2 H 41 4.042 4.127 -0.085 1 1 225 . 5 1 1 A 41 41 GLY HA3 H 41 3.922 4.159 -0.237 1 1 226 . 5 1 1 A 42 42 GLY H H 42 9.134 8.393 0.741 1 1 227 . 5 1 1 A 43 43 ASN H H 43 8.595 8.788 -0.193 1 1 228 . 5 1 1 A 43 43 ASN HA H 43 4.540 4.897 -0.357 1 1 233 . 5 1 1 A 46 46 ARG H H 46 7.194 8.627 -1.433 1 1 234 . 5 1 1 A 46 46 ARG HA H 46 4.776 4.523 0.253 1 1 241 . 5 1 1 A 47 47 PHE H H 47 9.821 9.006 0.815 1 1 242 . 5 1 1 A 47 47 PHE HA H 47 4.958 5.048 -0.090 1 1 249 . 5 1 1 A 48 48 LYS H H 48 9.851 8.762 1.089 1 1 250 . 5 1 1 A 48 48 LYS HA H 48 4.366 4.364 0.002 1 1 259 . 5 1 1 A 49 49 THR H H 49 7.212 7.775 -0.563 1 1 260 . 5 1 1 A 49 49 THR HA H 49 4.654 4.058 0.596 1 1 265 . 5 1 1 A 50 50 LEU H H 50 8.060 7.748 0.312 1 1 266 . 5 1 1 A 50 50 LEU HA H 50 2.905 3.821 -0.916 1 1 276 . 5 1 1 A 51 51 GLU H H 51 8.924 8.519 0.405 1 1 277 . 5 1 1 A 51 51 GLU HA H 51 3.880 4.277 -0.397 1 1 282 . 5 1 1 A 52 52 ASP H H 52 7.863 8.040 -0.177 1 1 283 . 5 1 1 A 52 52 ASP HA H 52 4.357 4.219 0.138 1 1 286 . 5 1 1 A 53 53 CYS H H 53 7.044 8.060 -1.016 1 1 287 . 5 1 1 A 53 53 CYS HA H 53 1.886 3.283 -1.397 1 1 290 . 5 1 1 A 54 54 GLU H H 54 8.840 9.104 -0.264 1 1 291 . 5 1 1 A 54 54 GLU HA H 54 3.634 4.003 -0.369 1 1 296 . 5 1 1 A 55 55 ALA H H 55 8.292 7.674 0.618 1 1 297 . 5 1 1 A 55 55 ALA HA H 55 3.999 4.019 -0.020 1 1 301 . 5 1 1 A 56 56 THR H H 56 7.184 7.833 -0.649 1 1 302 . 5 1 1 A 56 56 THR HA H 56 3.924 3.754 0.170 1 1 307 . 5 1 1 A 57 57 CYS H H 57 7.658 7.797 -0.139 1 1 308 . 5 1 1 A 57 57 CYS HA H 57 4.711 4.199 0.512 1 1 311 . 5 1 1 A 58 58 VAL H H 58 8.253 7.956 0.297 1 1 312 . 5 1 1 A 58 58 VAL HA H 58 4.138 3.563 0.575 1 1 320 . 5 1 1 A 59 59 THR H H 59 8.143 7.551 0.592 1 1 321 . 5 1 1 A 59 59 THR HA H 59 4.272 4.030 0.242 1 1 326 . 5 1 1 A 60 60 ALA H H 60 8.074 7.698 0.376 1 1 327 . 5 1 1 A 60 60 ALA HA H 60 4.347 4.261 0.086 1 1 8 . 6 1 1 A 3 3 GLN H H 3 8.469 8.636 -0.167 1 1 9 . 6 1 1 A 3 3 GLN HA H 3 4.197 4.245 -0.048 1 1 14 . 6 1 1 A 4 4 ASP H H 4 8.217 7.818 0.399 1 1 15 . 6 1 1 A 4 4 ASP HA H 4 4.433 4.872 -0.439 1 1 18 . 6 1 1 A 5 5 TYR H H 5 8.698 8.800 -0.102 1 1 19 . 6 1 1 A 5 5 TYR HA H 5 4.222 4.521 -0.299 1 1 22 . 6 1 1 A 6 6 ARG H H 6 8.720 8.570 0.150 1 1 23 . 6 1 1 A 6 6 ARG HA H 6 3.419 4.131 -0.712 1 1 30 . 6 1 1 A 7 7 CYS H H 7 7.509 7.952 -0.443 1 1 31 . 6 1 1 A 7 7 CYS HA H 7 4.272 4.452 -0.180 1 1 34 . 6 1 1 A 8 8 GLN H H 8 7.414 8.128 -0.714 1 1 35 . 6 1 1 A 8 8 GLN HA H 8 4.377 4.199 0.178 1 1 40 . 6 1 1 A 9 9 LEU H H 9 7.127 8.735 -1.608 1 1 41 . 6 1 1 A 9 9 LEU HA H 9 4.476 3.990 0.486 1 1 51 . 6 1 1 A 10 10 SER H H 10 8.746 8.251 0.495 1 1 52 . 6 1 1 A 10 10 SER HA H 10 4.405 4.678 -0.273 1 1 55 . 6 1 1 A 11 11 ARG H H 11 8.381 8.546 -0.165 1 1 56 . 6 1 1 A 11 11 ARG HA H 11 3.595 4.479 -0.884 1 1 63 . 6 1 1 A 12 12 ASN H H 12 8.316 8.782 -0.466 1 1 64 . 6 1 1 A 12 12 ASN HA H 12 4.806 4.960 -0.154 1 1 67 . 6 1 1 A 13 13 TYR H H 13 9.093 7.680 1.413 1 1 68 . 6 1 1 A 13 13 TYR HA H 13 4.865 4.657 0.208 1 1 71 . 6 1 1 A 14 14 GLY H H 14 7.990 8.202 -0.212 1 1 72 . 6 1 1 A 14 14 GLY HA2 H 14 4.010 4.075 -0.065 1 1 73 . 6 1 1 A 14 14 GLY HA3 H 14 3.477 4.077 -0.600 1 1 74 . 6 1 1 A 15 15 LYS H H 15 8.697 8.685 0.012 1 1 75 . 6 1 1 A 15 15 LYS HA H 15 4.598 4.269 0.329 1 1 84 . 6 1 1 A 16 16 GLY H H 16 8.349 7.393 0.956 1 1 85 . 6 1 1 A 16 16 GLY HA2 H 16 4.363 3.933 0.430 1 1 86 . 6 1 1 A 16 16 GLY HA3 H 16 3.688 3.946 -0.258 1 1 87 . 6 1 1 A 17 17 SER H H 17 8.579 8.599 -0.020 1 1 88 . 6 1 1 A 17 17 SER HA H 17 4.650 4.725 -0.075 1 1 91 . 6 1 1 A 18 18 GLY H H 18 8.200 7.845 0.355 1 1 92 . 6 1 1 A 18 18 GLY HA2 H 18 3.923 4.020 -0.097 1 1 93 . 6 1 1 A 18 18 GLY HA3 H 18 3.341 4.042 -0.701 1 1 94 . 6 1 1 A 19 19 SER H H 19 7.548 7.963 -0.415 1 1 95 . 6 1 1 A 19 19 SER HA H 19 4.109 5.041 -0.932 1 1 98 . 6 1 1 A 20 20 PHE H H 20 8.641 8.919 -0.278 1 1 99 . 6 1 1 A 20 20 PHE HA H 20 4.708 4.608 0.100 1 1 102 . 6 1 1 A 21 21 THR H H 21 9.177 8.089 1.088 1 1 103 . 6 1 1 A 21 21 THR HA H 21 4.332 4.561 -0.229 1 1 108 . 6 1 1 A 22 22 ASN H H 22 8.895 8.339 0.556 1 1 109 . 6 1 1 A 22 22 ASN HA H 22 5.008 5.600 -0.592 1 1 114 . 6 1 1 A 23 23 TYR H H 23 9.428 10.040 -0.612 1 1 115 . 6 1 1 A 23 23 TYR HA H 23 5.725 5.514 0.211 1 1 122 . 6 1 1 A 24 24 TYR H H 24 9.800 9.847 -0.047 1 1 123 . 6 1 1 A 24 24 TYR HA H 24 5.141 5.514 -0.373 1 1 130 . 6 1 1 A 25 25 TYR H H 25 10.492 9.137 1.355 1 1 131 . 6 1 1 A 25 25 TYR HA H 25 4.394 4.520 -0.126 1 1 138 . 6 1 1 A 26 26 ASP H H 26 8.656 8.694 -0.038 1 1 139 . 6 1 1 A 26 26 ASP HA H 26 4.524 4.683 -0.159 1 1 142 . 6 1 1 A 27 27 LYS H H 27 8.314 8.513 -0.199 1 1 143 . 6 1 1 A 27 27 LYS HA H 27 3.710 3.952 -0.242 1 1 152 . 6 1 1 A 28 28 ALA H H 28 8.217 7.815 0.402 1 1 153 . 6 1 1 A 28 28 ALA HA H 28 4.140 4.268 -0.128 1 1 157 . 6 1 1 A 29 29 THR H H 29 7.010 7.647 -0.637 1 1 158 . 6 1 1 A 29 29 THR HA H 29 4.431 4.509 -0.078 1 1 162 . 6 1 1 A 30 30 SER H H 30 7.756 7.870 -0.114 1 1 163 . 6 1 1 A 30 30 SER HA H 30 3.872 3.893 -0.021 1 1 166 . 6 1 1 A 31 31 SER H H 31 7.321 6.913 0.408 1 1 167 . 6 1 1 A 31 31 SER HA H 31 4.731 4.922 -0.191 1 1 170 . 6 1 1 A 32 32 CYS H H 32 8.935 8.354 0.581 1 1 171 . 6 1 1 A 32 32 CYS HA H 32 5.431 5.419 0.012 1 1 174 . 6 1 1 A 33 33 LYS H H 33 8.848 8.824 0.024 1 1 175 . 6 1 1 A 33 33 LYS HA H 33 4.802 5.058 -0.256 1 1 184 . 6 1 1 A 34 34 THR H H 34 8.172 8.308 -0.136 1 1 185 . 6 1 1 A 34 34 THR HA H 34 5.027 5.434 -0.407 1 1 190 . 6 1 1 A 35 35 PHE H H 35 9.298 9.489 -0.191 1 1 191 . 6 1 1 A 35 35 PHE HA H 35 4.956 5.117 -0.161 1 1 198 . 6 1 1 A 36 36 ARG H H 36 8.421 8.904 -0.483 1 1 199 . 6 1 1 A 36 36 ARG HA H 36 4.509 4.063 0.446 1 1 206 . 6 1 1 A 37 37 TYR H H 37 8.675 7.168 1.507 1 1 207 . 6 1 1 A 37 37 TYR HA H 37 4.904 2.624 2.280 1 1 210 . 6 1 1 A 38 38 ARG H H 38 8.469 7.544 0.925 1 1 211 . 6 1 1 A 38 38 ARG HA H 38 4.293 4.607 -0.314 1 1 218 . 6 1 1 A 39 39 GLY H H 39 8.696 8.246 0.450 1 1 219 . 6 1 1 A 40 40 SER H H 40 7.568 8.554 -0.986 1 1 220 . 6 1 1 A 40 40 SER HA H 40 4.850 4.560 0.290 1 1 223 . 6 1 1 A 41 41 GLY H H 41 8.913 7.277 1.636 1 1 224 . 6 1 1 A 41 41 GLY HA2 H 41 4.042 4.132 -0.090 1 1 225 . 6 1 1 A 41 41 GLY HA3 H 41 3.922 4.343 -0.421 1 1 226 . 6 1 1 A 42 42 GLY H H 42 9.134 8.471 0.663 1 1 227 . 6 1 1 A 43 43 ASN H H 43 8.595 8.073 0.522 1 1 228 . 6 1 1 A 43 43 ASN HA H 43 4.540 4.947 -0.407 1 1 233 . 6 1 1 A 46 46 ARG H H 46 7.194 8.044 -0.850 1 1 234 . 6 1 1 A 46 46 ARG HA H 46 4.776 4.322 0.454 1 1 241 . 6 1 1 A 47 47 PHE H H 47 9.821 9.445 0.376 1 1 242 . 6 1 1 A 47 47 PHE HA H 47 4.958 4.971 -0.013 1 1 249 . 6 1 1 A 48 48 LYS H H 48 9.851 8.788 1.063 1 1 250 . 6 1 1 A 48 48 LYS HA H 48 4.366 4.146 0.220 1 1 259 . 6 1 1 A 49 49 THR H H 49 7.212 7.833 -0.621 1 1 260 . 6 1 1 A 49 49 THR HA H 49 4.654 4.591 0.063 1 1 265 . 6 1 1 A 50 50 LEU H H 50 8.060 7.996 0.064 1 1 266 . 6 1 1 A 50 50 LEU HA H 50 2.905 3.854 -0.949 1 1 276 . 6 1 1 A 51 51 GLU H H 51 8.924 8.697 0.227 1 1 277 . 6 1 1 A 51 51 GLU HA H 51 3.880 3.924 -0.044 1 1 282 . 6 1 1 A 52 52 ASP H H 52 7.863 7.694 0.169 1 1 283 . 6 1 1 A 52 52 ASP HA H 52 4.357 4.218 0.139 1 1 286 . 6 1 1 A 53 53 CYS H H 53 7.044 7.805 -0.761 1 1 287 . 6 1 1 A 53 53 CYS HA H 53 1.886 3.082 -1.196 1 1 290 . 6 1 1 A 54 54 GLU H H 54 8.840 9.138 -0.298 1 1 291 . 6 1 1 A 54 54 GLU HA H 54 3.634 3.966 -0.332 1 1 296 . 6 1 1 A 55 55 ALA H H 55 8.292 7.683 0.609 1 1 297 . 6 1 1 A 55 55 ALA HA H 55 3.999 4.022 -0.023 1 1 301 . 6 1 1 A 56 56 THR H H 56 7.184 7.671 -0.487 1 1 302 . 6 1 1 A 56 56 THR HA H 56 3.924 3.747 0.177 1 1 307 . 6 1 1 A 57 57 CYS H H 57 7.658 8.134 -0.476 1 1 308 . 6 1 1 A 57 57 CYS HA H 57 4.711 4.351 0.360 1 1 311 . 6 1 1 A 58 58 VAL H H 58 8.253 7.817 0.436 1 1 312 . 6 1 1 A 58 58 VAL HA H 58 4.138 3.642 0.496 1 1 320 . 6 1 1 A 59 59 THR H H 59 8.143 7.422 0.721 1 1 321 . 6 1 1 A 59 59 THR HA H 59 4.272 4.210 0.062 1 1 326 . 6 1 1 A 60 60 ALA H H 60 8.074 7.361 0.713 1 1 327 . 6 1 1 A 60 60 ALA HA H 60 4.347 4.084 0.263 1 1 8 . 7 1 1 A 3 3 GLN H H 3 8.469 8.572 -0.103 1 1 9 . 7 1 1 A 3 3 GLN HA H 3 4.197 4.269 -0.072 1 1 14 . 7 1 1 A 4 4 ASP H H 4 8.217 8.151 0.066 1 1 15 . 7 1 1 A 4 4 ASP HA H 4 4.433 4.669 -0.236 1 1 18 . 7 1 1 A 5 5 TYR H H 5 8.698 8.595 0.103 1 1 19 . 7 1 1 A 5 5 TYR HA H 5 4.222 4.332 -0.110 1 1 22 . 7 1 1 A 6 6 ARG H H 6 8.720 8.511 0.209 1 1 23 . 7 1 1 A 6 6 ARG HA H 6 3.419 4.162 -0.743 1 1 30 . 7 1 1 A 7 7 CYS H H 7 7.509 7.836 -0.327 1 1 31 . 7 1 1 A 7 7 CYS HA H 7 4.272 4.566 -0.294 1 1 34 . 7 1 1 A 8 8 GLN H H 8 7.414 8.116 -0.702 1 1 35 . 7 1 1 A 8 8 GLN HA H 8 4.377 4.673 -0.296 1 1 40 . 7 1 1 A 9 9 LEU H H 9 7.127 8.461 -1.334 1 1 41 . 7 1 1 A 9 9 LEU HA H 9 4.476 4.350 0.126 1 1 51 . 7 1 1 A 10 10 SER H H 10 8.746 7.995 0.751 1 1 52 . 7 1 1 A 10 10 SER HA H 10 4.405 5.351 -0.946 1 1 55 . 7 1 1 A 11 11 ARG H H 11 8.381 8.550 -0.169 1 1 56 . 7 1 1 A 11 11 ARG HA H 11 3.595 4.647 -1.052 1 1 63 . 7 1 1 A 12 12 ASN H H 12 8.316 8.580 -0.264 1 1 64 . 7 1 1 A 12 12 ASN HA H 12 4.806 4.952 -0.146 1 1 67 . 7 1 1 A 13 13 TYR H H 13 9.093 7.801 1.292 1 1 68 . 7 1 1 A 13 13 TYR HA H 13 4.865 4.890 -0.025 1 1 71 . 7 1 1 A 14 14 GLY H H 14 7.990 7.358 0.632 1 1 72 . 7 1 1 A 14 14 GLY HA2 H 14 4.010 3.903 0.107 1 1 73 . 7 1 1 A 14 14 GLY HA3 H 14 3.477 4.009 -0.532 1 1 74 . 7 1 1 A 15 15 LYS H H 15 8.697 7.918 0.779 1 1 75 . 7 1 1 A 15 15 LYS HA H 15 4.598 3.992 0.606 1 1 84 . 7 1 1 A 16 16 GLY H H 16 8.349 7.634 0.715 1 1 85 . 7 1 1 A 16 16 GLY HA2 H 16 4.363 3.958 0.405 1 1 86 . 7 1 1 A 16 16 GLY HA3 H 16 3.688 3.962 -0.274 1 1 87 . 7 1 1 A 17 17 SER H H 17 8.579 8.018 0.561 1 1 88 . 7 1 1 A 17 17 SER HA H 17 4.650 4.283 0.367 1 1 91 . 7 1 1 A 18 18 GLY H H 18 8.200 7.269 0.931 1 1 92 . 7 1 1 A 18 18 GLY HA2 H 18 3.923 4.099 -0.176 1 1 93 . 7 1 1 A 18 18 GLY HA3 H 18 3.341 4.154 -0.813 1 1 94 . 7 1 1 A 19 19 SER H H 19 7.548 8.843 -1.295 1 1 95 . 7 1 1 A 19 19 SER HA H 19 4.109 4.614 -0.505 1 1 98 . 7 1 1 A 20 20 PHE H H 20 8.641 9.497 -0.856 1 1 99 . 7 1 1 A 20 20 PHE HA H 20 4.708 4.958 -0.250 1 1 102 . 7 1 1 A 21 21 THR H H 21 9.177 8.925 0.252 1 1 103 . 7 1 1 A 21 21 THR HA H 21 4.332 5.262 -0.930 1 1 108 . 7 1 1 A 22 22 ASN H H 22 8.895 9.379 -0.484 1 1 109 . 7 1 1 A 22 22 ASN HA H 22 5.008 5.544 -0.536 1 1 114 . 7 1 1 A 23 23 TYR H H 23 9.428 10.162 -0.734 1 1 115 . 7 1 1 A 23 23 TYR HA H 23 5.725 5.899 -0.174 1 1 122 . 7 1 1 A 24 24 TYR H H 24 9.800 9.498 0.302 1 1 123 . 7 1 1 A 24 24 TYR HA H 24 5.141 5.456 -0.315 1 1 130 . 7 1 1 A 25 25 TYR H H 25 10.492 9.089 1.403 1 1 131 . 7 1 1 A 25 25 TYR HA H 25 4.394 4.626 -0.232 1 1 138 . 7 1 1 A 26 26 ASP H H 26 8.656 8.612 0.044 1 1 139 . 7 1 1 A 26 26 ASP HA H 26 4.524 4.921 -0.397 1 1 142 . 7 1 1 A 27 27 LYS H H 27 8.314 8.424 -0.110 1 1 143 . 7 1 1 A 27 27 LYS HA H 27 3.710 4.261 -0.551 1 1 152 . 7 1 1 A 28 28 ALA H H 28 8.217 7.530 0.687 1 1 153 . 7 1 1 A 28 28 ALA HA H 28 4.140 4.232 -0.092 1 1 157 . 7 1 1 A 29 29 THR H H 29 7.010 7.832 -0.822 1 1 158 . 7 1 1 A 29 29 THR HA H 29 4.431 4.431 0.000 1 1 162 . 7 1 1 A 30 30 SER H H 30 7.756 7.875 -0.119 1 1 163 . 7 1 1 A 30 30 SER HA H 30 3.872 4.119 -0.247 1 1 166 . 7 1 1 A 31 31 SER H H 31 7.321 7.137 0.184 1 1 167 . 7 1 1 A 31 31 SER HA H 31 4.731 4.874 -0.143 1 1 170 . 7 1 1 A 32 32 CYS H H 32 8.935 8.298 0.637 1 1 171 . 7 1 1 A 32 32 CYS HA H 32 5.431 5.180 0.251 1 1 174 . 7 1 1 A 33 33 LYS H H 33 8.848 8.843 0.005 1 1 175 . 7 1 1 A 33 33 LYS HA H 33 4.802 4.630 0.172 1 1 184 . 7 1 1 A 34 34 THR H H 34 8.172 8.514 -0.342 1 1 185 . 7 1 1 A 34 34 THR HA H 34 5.027 5.519 -0.492 1 1 190 . 7 1 1 A 35 35 PHE H H 35 9.298 9.298 0.000 1 1 191 . 7 1 1 A 35 35 PHE HA H 35 4.956 4.962 -0.006 1 1 198 . 7 1 1 A 36 36 ARG H H 36 8.421 8.842 -0.421 1 1 199 . 7 1 1 A 36 36 ARG HA H 36 4.509 4.476 0.033 1 1 206 . 7 1 1 A 37 37 TYR H H 37 8.675 7.004 1.671 1 1 207 . 7 1 1 A 37 37 TYR HA H 37 4.904 3.008 1.896 1 1 210 . 7 1 1 A 38 38 ARG H H 38 8.469 7.498 0.971 1 1 211 . 7 1 1 A 38 38 ARG HA H 38 4.293 4.556 -0.263 1 1 218 . 7 1 1 A 39 39 GLY H H 39 8.696 8.565 0.131 1 1 219 . 7 1 1 A 40 40 SER H H 40 7.568 8.385 -0.817 1 1 220 . 7 1 1 A 40 40 SER HA H 40 4.850 4.695 0.155 1 1 223 . 7 1 1 A 41 41 GLY H H 41 8.913 7.676 1.237 1 1 224 . 7 1 1 A 41 41 GLY HA2 H 41 4.042 4.072 -0.030 1 1 225 . 7 1 1 A 41 41 GLY HA3 H 41 3.922 4.082 -0.160 1 1 226 . 7 1 1 A 42 42 GLY H H 42 9.134 8.310 0.824 1 1 227 . 7 1 1 A 43 43 ASN H H 43 8.595 8.718 -0.123 1 1 228 . 7 1 1 A 43 43 ASN HA H 43 4.540 5.547 -1.007 1 1 233 . 7 1 1 A 46 46 ARG H H 46 7.194 8.547 -1.353 1 1 234 . 7 1 1 A 46 46 ARG HA H 46 4.776 4.167 0.609 1 1 241 . 7 1 1 A 47 47 PHE H H 47 9.821 9.148 0.673 1 1 242 . 7 1 1 A 47 47 PHE HA H 47 4.958 4.994 -0.036 1 1 249 . 7 1 1 A 48 48 LYS H H 48 9.851 8.774 1.077 1 1 250 . 7 1 1 A 48 48 LYS HA H 48 4.366 4.235 0.131 1 1 259 . 7 1 1 A 49 49 THR H H 49 7.212 7.747 -0.535 1 1 260 . 7 1 1 A 49 49 THR HA H 49 4.654 3.784 0.870 1 1 265 . 7 1 1 A 50 50 LEU H H 50 8.060 7.848 0.212 1 1 266 . 7 1 1 A 50 50 LEU HA H 50 2.905 3.825 -0.920 1 1 276 . 7 1 1 A 51 51 GLU H H 51 8.924 8.617 0.307 1 1 277 . 7 1 1 A 51 51 GLU HA H 51 3.880 4.276 -0.396 1 1 282 . 7 1 1 A 52 52 ASP H H 52 7.863 7.601 0.262 1 1 283 . 7 1 1 A 52 52 ASP HA H 52 4.357 4.232 0.125 1 1 286 . 7 1 1 A 53 53 CYS H H 53 7.044 7.673 -0.629 1 1 287 . 7 1 1 A 53 53 CYS HA H 53 1.886 3.448 -1.562 1 1 290 . 7 1 1 A 54 54 GLU H H 54 8.840 8.987 -0.147 1 1 291 . 7 1 1 A 54 54 GLU HA H 54 3.634 3.990 -0.356 1 1 296 . 7 1 1 A 55 55 ALA H H 55 8.292 7.679 0.613 1 1 297 . 7 1 1 A 55 55 ALA HA H 55 3.999 4.013 -0.014 1 1 301 . 7 1 1 A 56 56 THR H H 56 7.184 7.614 -0.430 1 1 302 . 7 1 1 A 56 56 THR HA H 56 3.924 3.739 0.185 1 1 307 . 7 1 1 A 57 57 CYS H H 57 7.658 7.894 -0.236 1 1 308 . 7 1 1 A 57 57 CYS HA H 57 4.711 4.171 0.540 1 1 311 . 7 1 1 A 58 58 VAL H H 58 8.253 7.847 0.406 1 1 312 . 7 1 1 A 58 58 VAL HA H 58 4.138 3.612 0.526 1 1 320 . 7 1 1 A 59 59 THR H H 59 8.143 7.602 0.541 1 1 321 . 7 1 1 A 59 59 THR HA H 59 4.272 3.997 0.275 1 1 326 . 7 1 1 A 60 60 ALA H H 60 8.074 7.449 0.625 1 1 327 . 7 1 1 A 60 60 ALA HA H 60 4.347 3.963 0.384 1 1 8 . 8 1 1 A 3 3 GLN H H 3 8.469 9.101 -0.632 1 1 9 . 8 1 1 A 3 3 GLN HA H 3 4.197 3.999 0.198 1 1 14 . 8 1 1 A 4 4 ASP H H 4 8.217 8.381 -0.164 1 1 15 . 8 1 1 A 4 4 ASP HA H 4 4.433 4.131 0.302 1 1 18 . 8 1 1 A 5 5 TYR H H 5 8.698 8.142 0.556 1 1 19 . 8 1 1 A 5 5 TYR HA H 5 4.222 4.750 -0.528 1 1 22 . 8 1 1 A 6 6 ARG H H 6 8.720 8.020 0.700 1 1 23 . 8 1 1 A 6 6 ARG HA H 6 3.419 4.127 -0.708 1 1 30 . 8 1 1 A 7 7 CYS H H 7 7.509 8.220 -0.711 1 1 31 . 8 1 1 A 7 7 CYS HA H 7 4.272 4.669 -0.397 1 1 34 . 8 1 1 A 8 8 GLN H H 8 7.414 8.276 -0.862 1 1 35 . 8 1 1 A 8 8 GLN HA H 8 4.377 4.570 -0.193 1 1 40 . 8 1 1 A 9 9 LEU H H 9 7.127 7.704 -0.577 1 1 41 . 8 1 1 A 9 9 LEU HA H 9 4.476 4.342 0.134 1 1 51 . 8 1 1 A 10 10 SER H H 10 8.746 8.771 -0.025 1 1 52 . 8 1 1 A 10 10 SER HA H 10 4.405 4.931 -0.526 1 1 55 . 8 1 1 A 11 11 ARG H H 11 8.381 8.918 -0.537 1 1 56 . 8 1 1 A 11 11 ARG HA H 11 3.595 4.245 -0.650 1 1 63 . 8 1 1 A 12 12 ASN H H 12 8.316 7.856 0.460 1 1 64 . 8 1 1 A 12 12 ASN HA H 12 4.806 4.802 0.004 1 1 67 . 8 1 1 A 13 13 TYR H H 13 9.093 8.933 0.160 1 1 68 . 8 1 1 A 13 13 TYR HA H 13 4.865 4.680 0.185 1 1 71 . 8 1 1 A 14 14 GLY H H 14 7.990 8.076 -0.086 1 1 72 . 8 1 1 A 14 14 GLY HA2 H 14 4.010 2.990 1.020 1 1 73 . 8 1 1 A 14 14 GLY HA3 H 14 3.477 3.279 0.198 1 1 74 . 8 1 1 A 15 15 LYS H H 15 8.697 8.581 0.116 1 1 75 . 8 1 1 A 15 15 LYS HA H 15 4.598 4.200 0.398 1 1 84 . 8 1 1 A 16 16 GLY H H 16 8.349 7.344 1.005 1 1 85 . 8 1 1 A 16 16 GLY HA2 H 16 4.363 3.998 0.365 1 1 86 . 8 1 1 A 16 16 GLY HA3 H 16 3.688 4.021 -0.333 1 1 87 . 8 1 1 A 17 17 SER H H 17 8.579 8.688 -0.109 1 1 88 . 8 1 1 A 17 17 SER HA H 17 4.650 4.681 -0.031 1 1 91 . 8 1 1 A 18 18 GLY H H 18 8.200 7.362 0.838 1 1 92 . 8 1 1 A 18 18 GLY HA2 H 18 3.923 4.075 -0.152 1 1 93 . 8 1 1 A 18 18 GLY HA3 H 18 3.341 4.120 -0.779 1 1 94 . 8 1 1 A 19 19 SER H H 19 7.548 8.785 -1.237 1 1 95 . 8 1 1 A 19 19 SER HA H 19 4.109 4.402 -0.293 1 1 98 . 8 1 1 A 20 20 PHE H H 20 8.641 9.324 -0.683 1 1 99 . 8 1 1 A 20 20 PHE HA H 20 4.708 4.954 -0.246 1 1 102 . 8 1 1 A 21 21 THR H H 21 9.177 8.934 0.243 1 1 103 . 8 1 1 A 21 21 THR HA H 21 4.332 5.393 -1.061 1 1 108 . 8 1 1 A 22 22 ASN H H 22 8.895 9.231 -0.336 1 1 109 . 8 1 1 A 22 22 ASN HA H 22 5.008 5.542 -0.534 1 1 114 . 8 1 1 A 23 23 TYR H H 23 9.428 9.931 -0.503 1 1 115 . 8 1 1 A 23 23 TYR HA H 23 5.725 5.973 -0.248 1 1 122 . 8 1 1 A 24 24 TYR H H 24 9.800 9.628 0.172 1 1 123 . 8 1 1 A 24 24 TYR HA H 24 5.141 5.652 -0.511 1 1 130 . 8 1 1 A 25 25 TYR H H 25 10.492 9.284 1.208 1 1 131 . 8 1 1 A 25 25 TYR HA H 25 4.394 4.576 -0.182 1 1 138 . 8 1 1 A 26 26 ASP H H 26 8.656 8.392 0.264 1 1 139 . 8 1 1 A 26 26 ASP HA H 26 4.524 4.853 -0.329 1 1 142 . 8 1 1 A 27 27 LYS H H 27 8.314 8.572 -0.258 1 1 143 . 8 1 1 A 27 27 LYS HA H 27 3.710 4.095 -0.385 1 1 152 . 8 1 1 A 28 28 ALA H H 28 8.217 7.611 0.606 1 1 153 . 8 1 1 A 28 28 ALA HA H 28 4.140 4.187 -0.047 1 1 157 . 8 1 1 A 29 29 THR H H 29 7.010 7.348 -0.338 1 1 158 . 8 1 1 A 29 29 THR HA H 29 4.431 4.461 -0.030 1 1 162 . 8 1 1 A 30 30 SER H H 30 7.756 7.515 0.241 1 1 163 . 8 1 1 A 30 30 SER HA H 30 3.872 4.100 -0.228 1 1 166 . 8 1 1 A 31 31 SER H H 31 7.321 6.616 0.705 1 1 167 . 8 1 1 A 31 31 SER HA H 31 4.731 4.689 0.042 1 1 170 . 8 1 1 A 32 32 CYS H H 32 8.935 8.352 0.583 1 1 171 . 8 1 1 A 32 32 CYS HA H 32 5.431 5.383 0.048 1 1 174 . 8 1 1 A 33 33 LYS H H 33 8.848 8.707 0.141 1 1 175 . 8 1 1 A 33 33 LYS HA H 33 4.802 4.731 0.071 1 1 184 . 8 1 1 A 34 34 THR H H 34 8.172 8.646 -0.474 1 1 185 . 8 1 1 A 34 34 THR HA H 34 5.027 5.723 -0.696 1 1 190 . 8 1 1 A 35 35 PHE H H 35 9.298 9.545 -0.247 1 1 191 . 8 1 1 A 35 35 PHE HA H 35 4.956 5.076 -0.120 1 1 198 . 8 1 1 A 36 36 ARG H H 36 8.421 8.973 -0.552 1 1 199 . 8 1 1 A 36 36 ARG HA H 36 4.509 4.724 -0.215 1 1 206 . 8 1 1 A 37 37 TYR H H 37 8.675 7.166 1.509 1 1 207 . 8 1 1 A 37 37 TYR HA H 37 4.904 2.870 2.034 1 1 210 . 8 1 1 A 38 38 ARG H H 38 8.469 7.647 0.822 1 1 211 . 8 1 1 A 38 38 ARG HA H 38 4.293 4.216 0.077 1 1 218 . 8 1 1 A 39 39 GLY H H 39 8.696 7.968 0.728 1 1 219 . 8 1 1 A 40 40 SER H H 40 7.568 8.323 -0.755 1 1 220 . 8 1 1 A 40 40 SER HA H 40 4.850 4.587 0.263 1 1 223 . 8 1 1 A 41 41 GLY H H 41 8.913 7.898 1.015 1 1 224 . 8 1 1 A 41 41 GLY HA2 H 41 4.042 3.956 0.086 1 1 225 . 8 1 1 A 41 41 GLY HA3 H 41 3.922 4.006 -0.084 1 1 226 . 8 1 1 A 42 42 GLY H H 42 9.134 8.737 0.397 1 1 227 . 8 1 1 A 43 43 ASN H H 43 8.595 8.558 0.037 1 1 228 . 8 1 1 A 43 43 ASN HA H 43 4.540 5.827 -1.287 1 1 233 . 8 1 1 A 46 46 ARG H H 46 7.194 8.301 -1.107 1 1 234 . 8 1 1 A 46 46 ARG HA H 46 4.776 4.970 -0.194 1 1 241 . 8 1 1 A 47 47 PHE H H 47 9.821 9.341 0.480 1 1 242 . 8 1 1 A 47 47 PHE HA H 47 4.958 4.902 0.056 1 1 249 . 8 1 1 A 48 48 LYS H H 48 9.851 9.038 0.813 1 1 250 . 8 1 1 A 48 48 LYS HA H 48 4.366 4.498 -0.132 1 1 259 . 8 1 1 A 49 49 THR H H 49 7.212 7.677 -0.465 1 1 260 . 8 1 1 A 49 49 THR HA H 49 4.654 4.084 0.570 1 1 265 . 8 1 1 A 50 50 LEU H H 50 8.060 7.618 0.442 1 1 266 . 8 1 1 A 50 50 LEU HA H 50 2.905 3.862 -0.957 1 1 276 . 8 1 1 A 51 51 GLU H H 51 8.924 8.727 0.197 1 1 277 . 8 1 1 A 51 51 GLU HA H 51 3.880 3.956 -0.076 1 1 282 . 8 1 1 A 52 52 ASP H H 52 7.863 7.835 0.028 1 1 283 . 8 1 1 A 52 52 ASP HA H 52 4.357 4.248 0.109 1 1 286 . 8 1 1 A 53 53 CYS H H 53 7.044 7.924 -0.880 1 1 287 . 8 1 1 A 53 53 CYS HA H 53 1.886 3.523 -1.637 1 1 290 . 8 1 1 A 54 54 GLU H H 54 8.840 9.142 -0.302 1 1 291 . 8 1 1 A 54 54 GLU HA H 54 3.634 3.961 -0.327 1 1 296 . 8 1 1 A 55 55 ALA H H 55 8.292 7.718 0.574 1 1 297 . 8 1 1 A 55 55 ALA HA H 55 3.999 4.016 -0.017 1 1 301 . 8 1 1 A 56 56 THR H H 56 7.184 7.449 -0.265 1 1 302 . 8 1 1 A 56 56 THR HA H 56 3.924 3.749 0.175 1 1 307 . 8 1 1 A 57 57 CYS H H 57 7.658 7.950 -0.292 1 1 308 . 8 1 1 A 57 57 CYS HA H 57 4.711 4.188 0.523 1 1 311 . 8 1 1 A 58 58 VAL H H 58 8.253 7.928 0.325 1 1 312 . 8 1 1 A 58 58 VAL HA H 58 4.138 3.616 0.522 1 1 320 . 8 1 1 A 59 59 THR H H 59 8.143 7.687 0.456 1 1 321 . 8 1 1 A 59 59 THR HA H 59 4.272 4.093 0.179 1 1 326 . 8 1 1 A 60 60 ALA H H 60 8.074 7.355 0.719 1 1 327 . 8 1 1 A 60 60 ALA HA H 60 4.347 4.155 0.192 1 1 8 . 9 1 1 A 3 3 GLN H H 3 8.469 8.728 -0.259 1 1 9 . 9 1 1 A 3 3 GLN HA H 3 4.197 4.199 -0.002 1 1 14 . 9 1 1 A 4 4 ASP H H 4 8.217 7.800 0.417 1 1 15 . 9 1 1 A 4 4 ASP HA H 4 4.433 4.813 -0.380 1 1 18 . 9 1 1 A 5 5 TYR H H 5 8.698 9.441 -0.743 1 1 19 . 9 1 1 A 5 5 TYR HA H 5 4.222 4.299 -0.077 1 1 22 . 9 1 1 A 6 6 ARG H H 6 8.720 8.666 0.054 1 1 23 . 9 1 1 A 6 6 ARG HA H 6 3.419 4.201 -0.782 1 1 30 . 9 1 1 A 7 7 CYS H H 7 7.509 7.909 -0.400 1 1 31 . 9 1 1 A 7 7 CYS HA H 7 4.272 4.606 -0.334 1 1 34 . 9 1 1 A 8 8 GLN H H 8 7.414 7.694 -0.280 1 1 35 . 9 1 1 A 8 8 GLN HA H 8 4.377 4.522 -0.145 1 1 40 . 9 1 1 A 9 9 LEU H H 9 7.127 8.124 -0.997 1 1 41 . 9 1 1 A 9 9 LEU HA H 9 4.476 4.232 0.244 1 1 51 . 9 1 1 A 10 10 SER H H 10 8.746 8.406 0.340 1 1 52 . 9 1 1 A 10 10 SER HA H 10 4.405 5.300 -0.895 1 1 55 . 9 1 1 A 11 11 ARG H H 11 8.381 8.572 -0.191 1 1 56 . 9 1 1 A 11 11 ARG HA H 11 3.595 4.384 -0.789 1 1 63 . 9 1 1 A 12 12 ASN H H 12 8.316 8.133 0.183 1 1 64 . 9 1 1 A 12 12 ASN HA H 12 4.806 5.087 -0.281 1 1 67 . 9 1 1 A 13 13 TYR H H 13 9.093 8.946 0.147 1 1 68 . 9 1 1 A 13 13 TYR HA H 13 4.865 4.955 -0.090 1 1 71 . 9 1 1 A 14 14 GLY H H 14 7.990 8.082 -0.092 1 1 72 . 9 1 1 A 14 14 GLY HA2 H 14 4.010 4.022 -0.012 1 1 73 . 9 1 1 A 14 14 GLY HA3 H 14 3.477 4.072 -0.595 1 1 74 . 9 1 1 A 15 15 LYS H H 15 8.697 8.735 -0.038 1 1 75 . 9 1 1 A 15 15 LYS HA H 15 4.598 4.066 0.532 1 1 84 . 9 1 1 A 16 16 GLY H H 16 8.349 7.803 0.546 1 1 85 . 9 1 1 A 16 16 GLY HA2 H 16 4.363 4.030 0.333 1 1 86 . 9 1 1 A 16 16 GLY HA3 H 16 3.688 4.049 -0.361 1 1 87 . 9 1 1 A 17 17 SER H H 17 8.579 8.280 0.299 1 1 88 . 9 1 1 A 17 17 SER HA H 17 4.650 4.252 0.398 1 1 91 . 9 1 1 A 18 18 GLY H H 18 8.200 7.492 0.708 1 1 92 . 9 1 1 A 18 18 GLY HA2 H 18 3.923 4.181 -0.258 1 1 93 . 9 1 1 A 18 18 GLY HA3 H 18 3.341 4.199 -0.858 1 1 94 . 9 1 1 A 19 19 SER H H 19 7.548 8.823 -1.275 1 1 95 . 9 1 1 A 19 19 SER HA H 19 4.109 4.479 -0.370 1 1 98 . 9 1 1 A 20 20 PHE H H 20 8.641 9.108 -0.467 1 1 99 . 9 1 1 A 20 20 PHE HA H 20 4.708 4.346 0.362 1 1 102 . 9 1 1 A 21 21 THR H H 21 9.177 7.854 1.323 1 1 103 . 9 1 1 A 21 21 THR HA H 21 4.332 4.562 -0.230 1 1 108 . 9 1 1 A 22 22 ASN H H 22 8.895 8.561 0.334 1 1 109 . 9 1 1 A 22 22 ASN HA H 22 5.008 5.582 -0.574 1 1 114 . 9 1 1 A 23 23 TYR H H 23 9.428 10.265 -0.837 1 1 115 . 9 1 1 A 23 23 TYR HA H 23 5.725 5.858 -0.133 1 1 122 . 9 1 1 A 24 24 TYR H H 24 9.800 9.758 0.042 1 1 123 . 9 1 1 A 24 24 TYR HA H 24 5.141 5.598 -0.457 1 1 130 . 9 1 1 A 25 25 TYR H H 25 10.492 9.109 1.383 1 1 131 . 9 1 1 A 25 25 TYR HA H 25 4.394 4.681 -0.287 1 1 138 . 9 1 1 A 26 26 ASP H H 26 8.656 8.417 0.239 1 1 139 . 9 1 1 A 26 26 ASP HA H 26 4.524 5.091 -0.567 1 1 142 . 9 1 1 A 27 27 LYS H H 27 8.314 8.627 -0.313 1 1 143 . 9 1 1 A 27 27 LYS HA H 27 3.710 4.245 -0.535 1 1 152 . 9 1 1 A 28 28 ALA H H 28 8.217 7.928 0.289 1 1 153 . 9 1 1 A 28 28 ALA HA H 28 4.140 4.267 -0.127 1 1 157 . 9 1 1 A 29 29 THR H H 29 7.010 7.709 -0.699 1 1 158 . 9 1 1 A 29 29 THR HA H 29 4.431 4.468 -0.037 1 1 162 . 9 1 1 A 30 30 SER H H 30 7.756 7.542 0.214 1 1 163 . 9 1 1 A 30 30 SER HA H 30 3.872 4.158 -0.286 1 1 166 . 9 1 1 A 31 31 SER H H 31 7.321 6.846 0.475 1 1 167 . 9 1 1 A 31 31 SER HA H 31 4.731 4.529 0.202 1 1 170 . 9 1 1 A 32 32 CYS H H 32 8.935 8.185 0.750 1 1 171 . 9 1 1 A 32 32 CYS HA H 32 5.431 5.179 0.252 1 1 174 . 9 1 1 A 33 33 LYS H H 33 8.848 8.642 0.206 1 1 175 . 9 1 1 A 33 33 LYS HA H 33 4.802 4.852 -0.050 1 1 184 . 9 1 1 A 34 34 THR H H 34 8.172 8.735 -0.563 1 1 185 . 9 1 1 A 34 34 THR HA H 34 5.027 5.625 -0.598 1 1 190 . 9 1 1 A 35 35 PHE H H 35 9.298 9.433 -0.135 1 1 191 . 9 1 1 A 35 35 PHE HA H 35 4.956 4.556 0.400 1 1 198 . 9 1 1 A 36 36 ARG H H 36 8.421 8.638 -0.217 1 1 199 . 9 1 1 A 36 36 ARG HA H 36 4.509 3.836 0.673 1 1 206 . 9 1 1 A 37 37 TYR H H 37 8.675 7.101 1.574 1 1 207 . 9 1 1 A 37 37 TYR HA H 37 4.904 3.156 1.748 1 1 210 . 9 1 1 A 38 38 ARG H H 38 8.469 8.239 0.230 1 1 211 . 9 1 1 A 38 38 ARG HA H 38 4.293 3.789 0.504 1 1 218 . 9 1 1 A 39 39 GLY H H 39 8.696 8.171 0.525 1 1 219 . 9 1 1 A 40 40 SER H H 40 7.568 7.672 -0.104 1 1 220 . 9 1 1 A 40 40 SER HA H 40 4.850 4.513 0.337 1 1 223 . 9 1 1 A 41 41 GLY H H 41 8.913 7.332 1.581 1 1 224 . 9 1 1 A 41 41 GLY HA2 H 41 4.042 4.018 0.024 1 1 225 . 9 1 1 A 41 41 GLY HA3 H 41 3.922 4.030 -0.108 1 1 226 . 9 1 1 A 42 42 GLY H H 42 9.134 8.178 0.956 1 1 227 . 9 1 1 A 43 43 ASN H H 43 8.595 8.764 -0.169 1 1 228 . 9 1 1 A 43 43 ASN HA H 43 4.540 5.380 -0.840 1 1 233 . 9 1 1 A 46 46 ARG H H 46 7.194 8.513 -1.319 1 1 234 . 9 1 1 A 46 46 ARG HA H 46 4.776 4.767 0.009 1 1 241 . 9 1 1 A 47 47 PHE H H 47 9.821 9.046 0.775 1 1 242 . 9 1 1 A 47 47 PHE HA H 47 4.958 5.104 -0.146 1 1 249 . 9 1 1 A 48 48 LYS H H 48 9.851 8.900 0.951 1 1 250 . 9 1 1 A 48 48 LYS HA H 48 4.366 4.818 -0.452 1 1 259 . 9 1 1 A 49 49 THR H H 49 7.212 7.778 -0.566 1 1 260 . 9 1 1 A 49 49 THR HA H 49 4.654 4.585 0.069 1 1 265 . 9 1 1 A 50 50 LEU H H 50 8.060 8.059 0.001 1 1 266 . 9 1 1 A 50 50 LEU HA H 50 2.905 3.772 -0.867 1 1 276 . 9 1 1 A 51 51 GLU H H 51 8.924 8.575 0.349 1 1 277 . 9 1 1 A 51 51 GLU HA H 51 3.880 3.935 -0.055 1 1 282 . 9 1 1 A 52 52 ASP H H 52 7.863 7.775 0.088 1 1 283 . 9 1 1 A 52 52 ASP HA H 52 4.357 4.277 0.080 1 1 286 . 9 1 1 A 53 53 CYS H H 53 7.044 7.852 -0.808 1 1 287 . 9 1 1 A 53 53 CYS HA H 53 1.886 3.168 -1.282 1 1 290 . 9 1 1 A 54 54 GLU H H 54 8.840 8.975 -0.135 1 1 291 . 9 1 1 A 54 54 GLU HA H 54 3.634 3.998 -0.364 1 1 296 . 9 1 1 A 55 55 ALA H H 55 8.292 7.795 0.497 1 1 297 . 9 1 1 A 55 55 ALA HA H 55 3.999 4.019 -0.020 1 1 301 . 9 1 1 A 56 56 THR H H 56 7.184 7.650 -0.466 1 1 302 . 9 1 1 A 56 56 THR HA H 56 3.924 3.750 0.174 1 1 307 . 9 1 1 A 57 57 CYS H H 57 7.658 7.770 -0.112 1 1 308 . 9 1 1 A 57 57 CYS HA H 57 4.711 4.384 0.327 1 1 311 . 9 1 1 A 58 58 VAL H H 58 8.253 7.860 0.393 1 1 312 . 9 1 1 A 58 58 VAL HA H 58 4.138 3.631 0.507 1 1 320 . 9 1 1 A 59 59 THR H H 59 8.143 7.747 0.396 1 1 321 . 9 1 1 A 59 59 THR HA H 59 4.272 4.082 0.190 1 1 326 . 9 1 1 A 60 60 ALA H H 60 8.074 7.352 0.722 1 1 327 . 9 1 1 A 60 60 ALA HA H 60 4.347 3.947 0.400 1 1 8 . 10 1 1 A 3 3 GLN H H 3 8.469 8.694 -0.225 1 1 9 . 10 1 1 A 3 3 GLN HA H 3 4.197 4.385 -0.188 1 1 14 . 10 1 1 A 4 4 ASP H H 4 8.217 7.543 0.674 1 1 15 . 10 1 1 A 4 4 ASP HA H 4 4.433 4.646 -0.213 1 1 18 . 10 1 1 A 5 5 TYR H H 5 8.698 9.121 -0.423 1 1 19 . 10 1 1 A 5 5 TYR HA H 5 4.222 4.269 -0.047 1 1 22 . 10 1 1 A 6 6 ARG H H 6 8.720 8.627 0.093 1 1 23 . 10 1 1 A 6 6 ARG HA H 6 3.419 4.209 -0.790 1 1 30 . 10 1 1 A 7 7 CYS H H 7 7.509 7.769 -0.260 1 1 31 . 10 1 1 A 7 7 CYS HA H 7 4.272 4.653 -0.381 1 1 34 . 10 1 1 A 8 8 GLN H H 8 7.414 7.820 -0.406 1 1 35 . 10 1 1 A 8 8 GLN HA H 8 4.377 4.204 0.173 1 1 40 . 10 1 1 A 9 9 LEU H H 9 7.127 8.160 -1.033 1 1 41 . 10 1 1 A 9 9 LEU HA H 9 4.476 4.170 0.306 1 1 51 . 10 1 1 A 10 10 SER H H 10 8.746 8.483 0.263 1 1 52 . 10 1 1 A 10 10 SER HA H 10 4.405 5.243 -0.838 1 1 55 . 10 1 1 A 11 11 ARG H H 11 8.381 8.383 -0.002 1 1 56 . 10 1 1 A 11 11 ARG HA H 11 3.595 4.430 -0.835 1 1 63 . 10 1 1 A 12 12 ASN H H 12 8.316 8.315 0.001 1 1 64 . 10 1 1 A 12 12 ASN HA H 12 4.806 4.919 -0.113 1 1 67 . 10 1 1 A 13 13 TYR H H 13 9.093 8.924 0.169 1 1 68 . 10 1 1 A 13 13 TYR HA H 13 4.865 4.686 0.179 1 1 71 . 10 1 1 A 14 14 GLY H H 14 7.990 7.940 0.050 1 1 72 . 10 1 1 A 14 14 GLY HA2 H 14 4.010 4.085 -0.075 1 1 73 . 10 1 1 A 14 14 GLY HA3 H 14 3.477 4.090 -0.613 1 1 74 . 10 1 1 A 15 15 LYS H H 15 8.697 8.349 0.348 1 1 75 . 10 1 1 A 15 15 LYS HA H 15 4.598 4.479 0.119 1 1 84 . 10 1 1 A 16 16 GLY H H 16 8.349 7.453 0.896 1 1 85 . 10 1 1 A 16 16 GLY HA2 H 16 4.363 4.124 0.239 1 1 86 . 10 1 1 A 16 16 GLY HA3 H 16 3.688 4.154 -0.466 1 1 87 . 10 1 1 A 17 17 SER H H 17 8.579 8.138 0.441 1 1 88 . 10 1 1 A 17 17 SER HA H 17 4.650 4.669 -0.019 1 1 91 . 10 1 1 A 18 18 GLY H H 18 8.200 7.739 0.461 1 1 92 . 10 1 1 A 18 18 GLY HA2 H 18 3.923 4.036 -0.113 1 1 93 . 10 1 1 A 18 18 GLY HA3 H 18 3.341 4.040 -0.699 1 1 94 . 10 1 1 A 19 19 SER H H 19 7.548 8.360 -0.812 1 1 95 . 10 1 1 A 19 19 SER HA H 19 4.109 5.188 -1.079 1 1 98 . 10 1 1 A 20 20 PHE H H 20 8.641 8.822 -0.181 1 1 99 . 10 1 1 A 20 20 PHE HA H 20 4.708 4.870 -0.162 1 1 102 . 10 1 1 A 21 21 THR H H 21 9.177 7.919 1.258 1 1 103 . 10 1 1 A 21 21 THR HA H 21 4.332 5.087 -0.755 1 1 108 . 10 1 1 A 22 22 ASN H H 22 8.895 9.353 -0.458 1 1 109 . 10 1 1 A 22 22 ASN HA H 22 5.008 5.476 -0.468 1 1 114 . 10 1 1 A 23 23 TYR H H 23 9.428 9.825 -0.397 1 1 115 . 10 1 1 A 23 23 TYR HA H 23 5.725 5.874 -0.149 1 1 122 . 10 1 1 A 24 24 TYR H H 24 9.800 9.599 0.201 1 1 123 . 10 1 1 A 24 24 TYR HA H 24 5.141 4.960 0.181 1 1 130 . 10 1 1 A 25 25 TYR H H 25 10.492 8.222 2.270 1 1 131 . 10 1 1 A 25 25 TYR HA H 25 4.394 4.804 -0.410 1 1 138 . 10 1 1 A 26 26 ASP H H 26 8.656 8.903 -0.247 1 1 139 . 10 1 1 A 26 26 ASP HA H 26 4.524 5.022 -0.498 1 1 142 . 10 1 1 A 27 27 LYS H H 27 8.314 9.165 -0.851 1 1 143 . 10 1 1 A 27 27 LYS HA H 27 3.710 4.276 -0.566 1 1 152 . 10 1 1 A 28 28 ALA H H 28 8.217 7.694 0.523 1 1 153 . 10 1 1 A 28 28 ALA HA H 28 4.140 4.211 -0.071 1 1 157 . 10 1 1 A 29 29 THR H H 29 7.010 7.525 -0.515 1 1 158 . 10 1 1 A 29 29 THR HA H 29 4.431 4.633 -0.202 1 1 162 . 10 1 1 A 30 30 SER H H 30 7.756 7.909 -0.153 1 1 163 . 10 1 1 A 30 30 SER HA H 30 3.872 4.042 -0.170 1 1 166 . 10 1 1 A 31 31 SER H H 31 7.321 7.268 0.053 1 1 167 . 10 1 1 A 31 31 SER HA H 31 4.731 4.893 -0.162 1 1 170 . 10 1 1 A 32 32 CYS H H 32 8.935 8.391 0.544 1 1 171 . 10 1 1 A 32 32 CYS HA H 32 5.431 5.381 0.050 1 1 174 . 10 1 1 A 33 33 LYS H H 33 8.848 8.789 0.059 1 1 175 . 10 1 1 A 33 33 LYS HA H 33 4.802 4.709 0.093 1 1 184 . 10 1 1 A 34 34 THR H H 34 8.172 8.589 -0.417 1 1 185 . 10 1 1 A 34 34 THR HA H 34 5.027 5.509 -0.482 1 1 190 . 10 1 1 A 35 35 PHE H H 35 9.298 9.338 -0.040 1 1 191 . 10 1 1 A 35 35 PHE HA H 35 4.956 5.023 -0.067 1 1 198 . 10 1 1 A 36 36 ARG H H 36 8.421 9.046 -0.625 1 1 199 . 10 1 1 A 36 36 ARG HA H 36 4.509 4.663 -0.154 1 1 206 . 10 1 1 A 37 37 TYR H H 37 8.675 7.161 1.514 1 1 207 . 10 1 1 A 37 37 TYR HA H 37 4.904 3.244 1.660 1 1 210 . 10 1 1 A 38 38 ARG H H 38 8.469 8.838 -0.369 1 1 211 . 10 1 1 A 38 38 ARG HA H 38 4.293 3.882 0.411 1 1 218 . 10 1 1 A 39 39 GLY H H 39 8.696 8.339 0.357 1 1 219 . 10 1 1 A 40 40 SER H H 40 7.568 8.107 -0.539 1 1 220 . 10 1 1 A 40 40 SER HA H 40 4.850 4.459 0.391 1 1 223 . 10 1 1 A 41 41 GLY H H 41 8.913 8.013 0.900 1 1 224 . 10 1 1 A 41 41 GLY HA2 H 41 4.042 3.912 0.130 1 1 225 . 10 1 1 A 41 41 GLY HA3 H 41 3.922 3.947 -0.025 1 1 226 . 10 1 1 A 42 42 GLY H H 42 9.134 7.414 1.720 1 1 227 . 10 1 1 A 43 43 ASN H H 43 8.595 8.780 -0.185 1 1 228 . 10 1 1 A 43 43 ASN HA H 43 4.540 4.897 -0.357 1 1 233 . 10 1 1 A 46 46 ARG H H 46 7.194 8.673 -1.479 1 1 234 . 10 1 1 A 46 46 ARG HA H 46 4.776 4.172 0.604 1 1 241 . 10 1 1 A 47 47 PHE H H 47 9.821 9.529 0.292 1 1 242 . 10 1 1 A 47 47 PHE HA H 47 4.958 4.957 0.001 1 1 249 . 10 1 1 A 48 48 LYS H H 48 9.851 8.770 1.081 1 1 250 . 10 1 1 A 48 48 LYS HA H 48 4.366 4.242 0.124 1 1 259 . 10 1 1 A 49 49 THR H H 49 7.212 7.716 -0.504 1 1 260 . 10 1 1 A 49 49 THR HA H 49 4.654 4.022 0.632 1 1 265 . 10 1 1 A 50 50 LEU H H 50 8.060 7.994 0.066 1 1 266 . 10 1 1 A 50 50 LEU HA H 50 2.905 3.880 -0.975 1 1 276 . 10 1 1 A 51 51 GLU H H 51 8.924 8.431 0.493 1 1 277 . 10 1 1 A 51 51 GLU HA H 51 3.880 4.277 -0.397 1 1 282 . 10 1 1 A 52 52 ASP H H 52 7.863 8.086 -0.223 1 1 283 . 10 1 1 A 52 52 ASP HA H 52 4.357 4.234 0.123 1 1 286 . 10 1 1 A 53 53 CYS H H 53 7.044 7.720 -0.676 1 1 287 . 10 1 1 A 53 53 CYS HA H 53 1.886 2.850 -0.964 1 1 290 . 10 1 1 A 54 54 GLU H H 54 8.840 9.142 -0.302 1 1 291 . 10 1 1 A 54 54 GLU HA H 54 3.634 3.933 -0.299 1 1 296 . 10 1 1 A 55 55 ALA H H 55 8.292 7.813 0.479 1 1 297 . 10 1 1 A 55 55 ALA HA H 55 3.999 4.035 -0.036 1 1 301 . 10 1 1 A 56 56 THR H H 56 7.184 7.569 -0.385 1 1 302 . 10 1 1 A 56 56 THR HA H 56 3.924 3.761 0.163 1 1 307 . 10 1 1 A 57 57 CYS H H 57 7.658 8.278 -0.620 1 1 308 . 10 1 1 A 57 57 CYS HA H 57 4.711 4.287 0.424 1 1 311 . 10 1 1 A 58 58 VAL H H 58 8.253 8.009 0.244 1 1 312 . 10 1 1 A 58 58 VAL HA H 58 4.138 3.585 0.553 1 1 320 . 10 1 1 A 59 59 THR H H 59 8.143 7.686 0.457 1 1 321 . 10 1 1 A 59 59 THR HA H 59 4.272 4.068 0.204 1 1 326 . 10 1 1 A 60 60 ALA H H 60 8.074 7.390 0.684 1 1 327 . 10 1 1 A 60 60 ALA HA H 60 4.347 4.127 0.220 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1 3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1 4 1 1 1 "RMS(OBS, PRED)" H 56 0.654 1 5 1 1 1 "RMS(OBS, PRED)" HA 58 0.469 1 6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1 9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1 10 1 2 1 "RMS(OBS, PRED)" H 56 0.643 1 11 1 2 1 "RMS(OBS, PRED)" HA 58 0.439 1 12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1 15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1 16 1 3 1 "RMS(OBS, PRED)" H 56 0.599 1 17 1 3 1 "RMS(OBS, PRED)" HA 58 0.482 1 18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1 21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1 22 1 4 1 "RMS(OBS, PRED)" H 56 0.661 1 23 1 4 1 "RMS(OBS, PRED)" HA 58 0.550 1 24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1 27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1 28 1 5 1 "RMS(OBS, PRED)" H 56 0.634 1 29 1 5 1 "RMS(OBS, PRED)" HA 58 0.502 1 30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1 33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1 34 1 6 1 "RMS(OBS, PRED)" H 56 0.679 1 35 1 6 1 "RMS(OBS, PRED)" HA 58 0.499 1 36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1 39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1 40 1 7 1 "RMS(OBS, PRED)" H 56 0.703 1 41 1 7 1 "RMS(OBS, PRED)" HA 58 0.549 1 42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1 45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1 46 1 8 1 "RMS(OBS, PRED)" H 56 0.619 1 47 1 8 1 "RMS(OBS, PRED)" HA 58 0.546 1 48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1 51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1 52 1 9 1 "RMS(OBS, PRED)" H 56 0.652 1 53 1 9 1 "RMS(OBS, PRED)" HA 58 0.503 1 54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1 57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1 58 1 10 1 "RMS(OBS, PRED)" H 56 0.690 1 59 1 10 1 "RMS(OBS, PRED)" HA 58 0.485 1 60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 8 . 1 1 A 3 3 GLN H H 3 8.469 8.441 0.028 2 1 9 . 1 1 A 3 3 GLN HA H 3 4.197 4.197 -0.000 2 1 14 . 1 1 A 4 4 ASP H H 4 8.217 7.813 0.404 2 1 15 . 1 1 A 4 4 ASP HA H 4 4.433 4.733 -0.300 2 1 18 . 1 1 A 5 5 TYR H H 5 8.698 9.035 -0.337 2 1 19 . 1 1 A 5 5 TYR HA H 5 4.222 4.424 -0.202 2 1 22 . 1 1 A 6 6 ARG H H 6 8.720 8.543 0.177 2 1 23 . 1 1 A 6 6 ARG HA H 6 3.419 4.168 -0.749 2 1 30 . 1 1 A 7 7 CYS H H 7 7.509 7.943 -0.434 2 1 31 . 1 1 A 7 7 CYS HA H 7 4.272 4.570 -0.298 2 1 34 . 1 1 A 8 8 GLN H H 8 7.414 7.919 -0.505 2 1 35 . 1 1 A 8 8 GLN HA H 8 4.377 4.509 -0.132 2 1 40 . 1 1 A 9 9 LEU H H 9 7.127 8.227 -1.100 2 1 41 . 1 1 A 9 9 LEU HA H 9 4.476 4.199 0.277 2 1 51 . 1 1 A 10 10 SER H H 10 8.746 8.385 0.361 2 1 52 . 1 1 A 10 10 SER HA H 10 4.405 5.051 -0.646 2 1 55 . 1 1 A 11 11 ARG H H 11 8.381 8.599 -0.218 2 1 56 . 1 1 A 11 11 ARG HA H 11 3.595 4.397 -0.802 2 1 63 . 1 1 A 12 12 ASN H H 12 8.316 8.229 0.087 2 1 64 . 1 1 A 12 12 ASN HA H 12 4.806 4.866 -0.060 2 1 67 . 1 1 A 13 13 TYR H H 13 9.093 8.387 0.706 2 1 68 . 1 1 A 13 13 TYR HA H 13 4.865 4.741 0.124 2 1 71 . 1 1 A 14 14 GLY H H 14 7.990 7.897 0.093 2 1 72 . 1 1 A 14 14 GLY HA2 H 14 4.010 3.893 0.117 2 1 73 . 1 1 A 14 14 GLY HA3 H 14 3.477 3.981 -0.504 2 1 74 . 1 1 A 15 15 LYS H H 15 8.697 8.523 0.174 2 1 75 . 1 1 A 15 15 LYS HA H 15 4.598 4.193 0.405 2 1 84 . 1 1 A 16 16 GLY H H 16 8.349 7.537 0.812 2 1 85 . 1 1 A 16 16 GLY HA2 H 16 4.363 4.039 0.324 2 1 86 . 1 1 A 16 16 GLY HA3 H 16 3.688 4.059 -0.371 2 1 87 . 1 1 A 17 17 SER H H 17 8.579 8.521 0.058 2 1 88 . 1 1 A 17 17 SER HA H 17 4.650 4.563 0.087 2 1 91 . 1 1 A 18 18 GLY H H 18 8.200 7.727 0.473 2 1 92 . 1 1 A 18 18 GLY HA2 H 18 3.923 4.053 -0.130 2 1 93 . 1 1 A 18 18 GLY HA3 H 18 3.341 4.076 -0.735 2 1 94 . 1 1 A 19 19 SER H H 19 7.548 8.364 -0.816 2 1 95 . 1 1 A 19 19 SER HA H 19 4.109 4.596 -0.487 2 1 98 . 1 1 A 20 20 PHE H H 20 8.641 9.107 -0.466 2 1 99 . 1 1 A 20 20 PHE HA H 20 4.708 4.720 -0.012 2 1 102 . 1 1 A 21 21 THR H H 21 9.177 8.136 1.041 2 1 103 . 1 1 A 21 21 THR HA H 21 4.332 4.863 -0.531 2 1 108 . 1 1 A 22 22 ASN H H 22 8.895 9.001 -0.106 2 1 109 . 1 1 A 22 22 ASN HA H 22 5.008 5.578 -0.570 2 1 114 . 1 1 A 23 23 TYR H H 23 9.428 9.971 -0.543 2 1 115 . 1 1 A 23 23 TYR HA H 23 5.725 5.839 -0.114 2 1 122 . 1 1 A 24 24 TYR H H 24 9.800 9.645 0.155 2 1 123 . 1 1 A 24 24 TYR HA H 24 5.141 5.492 -0.351 2 1 130 . 1 1 A 25 25 TYR H H 25 10.492 9.090 1.402 2 1 131 . 1 1 A 25 25 TYR HA H 25 4.394 4.599 -0.205 2 1 138 . 1 1 A 26 26 ASP H H 26 8.656 8.604 0.052 2 1 139 . 1 1 A 26 26 ASP HA H 26 4.524 4.881 -0.357 2 1 142 . 1 1 A 27 27 LYS H H 27 8.314 8.640 -0.326 2 1 143 . 1 1 A 27 27 LYS HA H 27 3.710 4.221 -0.511 2 1 152 . 1 1 A 28 28 ALA H H 28 8.217 7.813 0.404 2 1 153 . 1 1 A 28 28 ALA HA H 28 4.140 4.256 -0.117 2 1 157 . 1 1 A 29 29 THR H H 29 7.010 7.548 -0.538 2 1 158 . 1 1 A 29 29 THR HA H 29 4.431 4.509 -0.078 2 1 162 . 1 1 A 30 30 SER H H 30 7.756 7.704 0.052 2 1 163 . 1 1 A 30 30 SER HA H 30 3.872 4.081 -0.209 2 1 166 . 1 1 A 31 31 SER H H 31 7.321 6.864 0.457 2 1 167 . 1 1 A 31 31 SER HA H 31 4.731 4.695 0.036 2 1 170 . 1 1 A 32 32 CYS H H 32 8.935 8.310 0.625 2 1 171 . 1 1 A 32 32 CYS HA H 32 5.431 5.244 0.187 2 1 174 . 1 1 A 33 33 LYS H H 33 8.848 8.845 0.003 2 1 175 . 1 1 A 33 33 LYS HA H 33 4.802 4.787 0.015 2 1 184 . 1 1 A 34 34 THR H H 34 8.172 8.579 -0.407 2 1 185 . 1 1 A 34 34 THR HA H 34 5.027 5.539 -0.512 2 1 190 . 1 1 A 35 35 PHE H H 35 9.298 9.375 -0.077 2 1 191 . 1 1 A 35 35 PHE HA H 35 4.956 4.972 -0.016 2 1 198 . 1 1 A 36 36 ARG H H 36 8.421 8.917 -0.496 2 1 199 . 1 1 A 36 36 ARG HA H 36 4.509 4.238 0.271 2 1 206 . 1 1 A 37 37 TYR H H 37 8.675 7.118 1.557 2 1 207 . 1 1 A 37 37 TYR HA H 37 4.904 3.005 1.899 2 1 210 . 1 1 A 38 38 ARG H H 38 8.469 8.047 0.422 2 1 211 . 1 1 A 38 38 ARG HA H 38 4.293 4.213 0.080 2 1 218 . 1 1 A 39 39 GLY H H 39 8.696 8.267 0.429 2 1 219 . 1 1 A 40 40 SER H H 40 7.568 8.131 -0.563 2 1 220 . 1 1 A 40 40 SER HA H 40 4.850 4.554 0.296 2 1 223 . 1 1 A 41 41 GLY H H 41 8.913 7.831 1.082 2 1 224 . 1 1 A 41 41 GLY HA2 H 41 4.042 4.053 -0.011 2 1 225 . 1 1 A 41 41 GLY HA3 H 41 3.922 4.092 -0.170 2 1 226 . 1 1 A 42 42 GLY H H 42 9.134 8.215 0.919 2 1 227 . 1 1 A 43 43 ASN H H 43 8.595 8.591 0.004 2 1 228 . 1 1 A 43 43 ASN HA H 43 4.540 5.091 -0.551 2 1 233 . 1 1 A 46 46 ARG H H 46 7.194 8.469 -1.274 2 1 234 . 1 1 A 46 46 ARG HA H 46 4.776 4.660 0.117 2 1 241 . 1 1 A 47 47 PHE H H 47 9.821 9.294 0.527 2 1 242 . 1 1 A 47 47 PHE HA H 47 4.958 5.009 -0.051 2 1 249 . 1 1 A 48 48 LYS H H 48 9.851 8.896 0.955 2 1 250 . 1 1 A 48 48 LYS HA H 48 4.366 4.438 -0.072 2 1 259 . 1 1 A 49 49 THR H H 49 7.212 7.740 -0.528 2 1 260 . 1 1 A 49 49 THR HA H 49 4.654 4.180 0.474 2 1 265 . 1 1 A 50 50 LEU H H 50 8.060 7.909 0.151 2 1 266 . 1 1 A 50 50 LEU HA H 50 2.905 3.837 -0.931 2 1 276 . 1 1 A 51 51 GLU H H 51 8.924 8.614 0.310 2 1 277 . 1 1 A 51 51 GLU HA H 51 3.880 4.064 -0.184 2 1 282 . 1 1 A 52 52 ASP H H 52 7.863 7.801 0.062 2 1 283 . 1 1 A 52 52 ASP HA H 52 4.357 4.234 0.123 2 1 286 . 1 1 A 53 53 CYS H H 53 7.044 7.869 -0.825 2 1 287 . 1 1 A 53 53 CYS HA H 53 1.886 3.206 -1.320 2 1 290 . 1 1 A 54 54 GLU H H 54 8.840 9.044 -0.204 2 1 291 . 1 1 A 54 54 GLU HA H 54 3.634 3.981 -0.347 2 1 296 . 1 1 A 55 55 ALA H H 55 8.292 7.712 0.580 2 1 297 . 1 1 A 55 55 ALA HA H 55 3.999 4.056 -0.057 2 1 301 . 1 1 A 56 56 THR H H 56 7.184 7.639 -0.455 2 1 302 . 1 1 A 56 56 THR HA H 56 3.924 3.746 0.178 2 1 307 . 1 1 A 57 57 CYS H H 57 7.658 7.967 -0.309 2 1 308 . 1 1 A 57 57 CYS HA H 57 4.711 4.249 0.462 2 1 311 . 1 1 A 58 58 VAL H H 58 8.253 7.865 0.388 2 1 312 . 1 1 A 58 58 VAL HA H 58 4.138 3.629 0.509 2 1 320 . 1 1 A 59 59 THR H H 59 8.143 7.685 0.458 2 1 321 . 1 1 A 59 59 THR HA H 59 4.272 4.099 0.173 2 1 326 . 1 1 A 60 60 ALA H H 60 8.074 7.414 0.660 2 1 327 . 1 1 A 60 60 ALA HA H 60 4.347 4.089 0.258 2 stop_ save_