data_15912_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15912 _Entry.PDB_ID 2K79 _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 1 _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 13 . 1 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 1 1 18 . 1 2 2 B 4 4 ASN C C 233 173.640 175.109 -1.469 1 1 19 . 1 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 1 1 20 . 1 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 1 1 22 . 1 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 1 1 23 . 1 2 2 B 5 5 LEU HA H 234 3.890 4.081 -0.191 1 1 33 . 1 2 2 B 5 5 LEU C C 234 174.320 177.844 -3.524 1 1 34 . 1 2 2 B 5 5 LEU CA C 234 53.910 54.671 -0.761 1 1 35 . 1 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 1 1 39 . 1 2 2 B 5 5 LEU N N 234 122.090 125.229 -3.139 1 1 40 . 1 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 1 1 41 . 1 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 1 1 44 . 1 2 2 B 6 6 GLU C C 235 174.420 178.681 -4.261 1 1 45 . 1 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 1 1 46 . 1 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 1 1 48 . 1 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 1 1 49 . 1 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 1 1 50 . 1 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 1 1 55 . 1 2 2 B 7 7 THR C C 236 171.230 174.637 -3.407 1 1 56 . 1 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 1 1 57 . 1 2 2 B 7 7 THR CB C 236 66.570 67.892 -1.322 1 1 59 . 1 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 1 1 60 . 1 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 1 1 61 . 1 2 2 B 8 8 TYR HA H 237 3.960 4.436 -0.476 1 1 68 . 1 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 1 1 69 . 1 2 2 B 8 8 TYR CB C 237 35.130 38.888 -3.758 1 1 71 . 1 2 2 B 8 8 TYR N N 237 120.710 121.572 -0.862 1 1 72 . 1 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 1 1 73 . 1 2 2 B 9 9 GLU HA H 238 3.870 4.175 -0.305 1 1 76 . 1 2 2 B 9 9 GLU C C 238 172.110 178.865 -6.755 1 1 77 . 1 2 2 B 9 9 GLU CA C 238 55.760 58.852 -3.092 1 1 78 . 1 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 1 1 80 . 1 2 2 B 9 9 GLU N N 238 122.620 119.607 3.013 1 1 81 . 1 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 1 1 82 . 1 2 2 B 10 10 TRP HA H 239 4.200 4.516 -0.316 1 1 91 . 1 2 2 B 10 10 TRP C C 239 173.790 176.340 -2.550 1 1 92 . 1 2 2 B 10 10 TRP CA C 239 50.570 60.007 -9.437 1 1 93 . 1 2 2 B 10 10 TRP CB C 239 27.270 28.409 -1.139 1 1 99 . 1 2 2 B 10 10 TRP N N 239 107.810 118.881 -11.071 1 1 101 . 1 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 1 1 102 . 1 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 1 1 109 . 1 2 2 B 11 11 TYR C C 240 171.740 174.725 -2.985 1 1 110 . 1 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 1 1 111 . 1 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 1 1 113 . 1 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 1 1 114 . 1 2 2 B 12 12 ASN H H 241 8.590 8.150 0.440 1 1 115 . 1 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 1 1 120 . 1 2 2 B 12 12 ASN C C 241 169.840 174.414 -4.574 1 1 121 . 1 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 1 1 122 . 1 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 1 1 123 . 1 2 2 B 12 12 ASN N N 241 128.140 126.220 1.920 1 1 125 . 1 2 2 B 13 13 LYS H H 242 7.410 8.583 -1.173 1 1 126 . 1 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 1 1 129 . 1 2 2 B 13 13 LYS C C 242 173.820 178.579 -4.759 1 1 130 . 1 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 1 1 131 . 1 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 1 1 135 . 1 2 2 B 13 13 LYS N N 242 121.870 123.697 -1.827 1 1 136 . 1 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 1 1 137 . 1 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 1 1 140 . 1 2 2 B 14 14 SER C C 243 171.390 174.421 -3.031 1 1 141 . 1 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 1 1 142 . 1 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 1 1 143 . 1 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 1 1 144 . 1 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 1 1 145 . 1 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 1 1 155 . 1 2 2 B 15 15 ILE C C 244 171.830 174.803 -2.973 1 1 156 . 1 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 1 1 157 . 1 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 1 1 161 . 1 2 2 B 15 15 ILE N N 244 119.980 122.243 -2.263 1 1 162 . 1 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 1 1 163 . 1 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 1 1 166 . 1 2 2 B 16 16 SER C C 245 171.580 175.785 -4.205 1 1 167 . 1 2 2 B 16 16 SER CA C 245 54.550 57.468 -2.918 1 1 168 . 1 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 1 1 169 . 1 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 1 1 170 . 1 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 1 1 171 . 1 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 1 1 176 . 1 2 2 B 17 17 ARG C C 246 174.680 178.005 -3.325 1 1 177 . 1 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 1 1 178 . 1 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 1 1 181 . 1 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 1 1 182 . 1 2 2 B 18 18 ASP H H 247 8.340 8.132 0.208 1 1 183 . 1 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 1 1 186 . 1 2 2 B 18 18 ASP C C 247 176.060 179.207 -3.147 1 1 187 . 1 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 1 1 188 . 1 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 1 1 189 . 1 2 2 B 18 18 ASP N N 247 115.490 119.954 -4.464 1 1 190 . 1 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 1 1 191 . 1 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 1 1 194 . 1 2 2 B 19 19 LYS C C 248 175.700 179.421 -3.721 1 1 195 . 1 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 1 1 196 . 1 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 1 1 200 . 1 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 1 1 201 . 1 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 1 1 202 . 1 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 1 1 206 . 1 2 2 B 20 20 ALA C C 249 176.650 179.983 -3.333 1 1 207 . 1 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 1 1 208 . 1 2 2 B 20 20 ALA CB C 249 16.810 18.133 -1.323 1 1 209 . 1 2 2 B 20 20 ALA N N 249 121.970 121.940 0.030 1 1 210 . 1 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 1 1 211 . 1 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 1 1 216 . 1 2 2 B 21 21 GLU C C 250 174.890 179.115 -4.225 1 1 217 . 1 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 1 1 218 . 1 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 1 1 220 . 1 2 2 B 21 21 GLU N N 250 114.160 117.845 -3.685 1 1 221 . 1 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 1 1 222 . 1 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 1 1 231 . 1 2 2 B 22 22 LYS C C 251 175.360 178.522 -3.162 1 1 232 . 1 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 1 1 233 . 1 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 1 1 237 . 1 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 1 1 238 . 1 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 1 1 239 . 1 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 1 1 249 . 1 2 2 B 23 23 LEU C C 252 177.950 178.263 -0.313 1 1 250 . 1 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 1 1 251 . 1 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 1 1 255 . 1 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 1 1 256 . 1 2 2 B 24 24 LEU H H 253 8.050 7.765 0.285 1 1 257 . 1 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 1 1 267 . 1 2 2 B 24 24 LEU C C 253 176.660 178.929 -2.269 1 1 268 . 1 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 1 1 269 . 1 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 1 1 273 . 1 2 2 B 24 24 LEU N N 253 118.620 118.057 0.563 1 1 274 . 1 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 1 1 275 . 1 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 1 1 285 . 1 2 2 B 25 25 LEU C C 254 177.120 178.020 -0.900 1 1 286 . 1 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 1 1 287 . 1 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 1 1 291 . 1 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 1 1 292 . 1 2 2 B 26 26 ASP H H 255 8.100 7.948 0.152 1 1 293 . 1 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 1 1 296 . 1 2 2 B 26 26 ASP C C 255 175.530 178.756 -3.226 1 1 297 . 1 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 1 1 298 . 1 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 1 1 299 . 1 2 2 B 26 26 ASP N N 255 117.450 119.198 -1.748 1 1 300 . 1 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 1 1 301 . 1 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 1 1 306 . 1 2 2 B 27 27 THR C C 256 173.980 175.490 -1.510 1 1 307 . 1 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 1 1 308 . 1 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 1 1 310 . 1 2 2 B 27 27 THR N N 256 112.810 114.298 -1.488 1 1 311 . 1 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 1 1 312 . 1 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 1 1 313 . 1 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 1 1 314 . 1 2 2 B 28 28 GLY C C 257 170.200 174.086 -3.886 1 1 315 . 1 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 1 1 316 . 1 2 2 B 28 28 GLY N N 257 105.330 109.638 -4.308 1 1 317 . 1 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 1 1 318 . 1 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 1 1 323 . 1 2 2 B 29 29 LYS C C 258 171.230 174.784 -3.554 1 1 324 . 1 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 1 1 325 . 1 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 1 1 329 . 1 2 2 B 29 29 LYS N N 258 117.140 119.033 -1.893 1 1 330 . 1 2 2 B 30 30 GLU H H 259 8.670 8.566 0.104 1 1 331 . 1 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 1 1 332 . 1 2 2 B 30 30 GLU C C 259 174.320 177.085 -2.765 1 1 333 . 1 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 1 1 334 . 1 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 1 1 336 . 1 2 2 B 30 30 GLU N N 259 124.800 121.679 3.121 1 1 337 . 1 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 1 1 338 . 1 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 1 1 339 . 1 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 1 1 340 . 1 2 2 B 31 31 GLY C C 260 173.320 174.522 -1.202 1 1 341 . 1 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 1 1 342 . 1 2 2 B 31 31 GLY N N 260 114.210 112.760 1.450 1 1 343 . 1 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 1 1 344 . 1 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 1 1 348 . 1 2 2 B 32 32 ALA C C 261 174.140 177.440 -3.300 1 1 349 . 1 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 1 1 350 . 1 2 2 B 32 32 ALA CB C 261 16.040 19.317 -3.277 1 1 351 . 1 2 2 B 32 32 ALA N N 261 126.000 124.173 1.827 1 1 352 . 1 2 2 B 33 33 PHE H H 262 8.880 8.886 -0.006 1 1 353 . 1 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 1 1 360 . 1 2 2 B 33 33 PHE C C 262 168.980 173.402 -4.422 1 1 361 . 1 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 1 1 362 . 1 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 1 1 363 . 1 2 2 B 33 33 PHE N N 262 120.080 120.465 -0.385 1 1 364 . 1 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 1 1 365 . 1 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 1 1 373 . 1 2 2 B 34 34 MET C C 263 171.230 174.140 -2.910 1 1 374 . 1 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 1 1 375 . 1 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 1 1 378 . 1 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 1 1 379 . 1 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 1 1 380 . 1 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 1 1 388 . 1 2 2 B 35 35 VAL C C 264 170.560 174.553 -3.993 1 1 389 . 1 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 1 1 390 . 1 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 1 1 393 . 1 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 1 1 394 . 1 2 2 B 36 36 ARG H H 265 9.470 9.387 0.083 1 1 395 . 1 2 2 B 36 36 ARG HA H 265 5.290 4.919 0.371 1 1 401 . 1 2 2 B 36 36 ARG C C 265 171.590 174.605 -3.015 1 1 402 . 1 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 1 1 403 . 1 2 2 B 36 36 ARG CB C 265 31.080 34.069 -2.989 1 1 406 . 1 2 2 B 36 36 ARG N N 265 124.120 125.189 -1.069 1 1 408 . 1 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 1 1 409 . 1 2 2 B 37 37 ASP HA H 266 4.800 4.703 0.097 1 1 412 . 1 2 2 B 37 37 ASP CA C 266 52.930 54.996 -2.066 1 1 413 . 1 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 1 1 414 . 1 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 1 1 415 . 1 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 1 1 416 . 1 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 1 1 417 . 1 2 2 B 38 38 SER C C 267 172.270 175.010 -2.740 1 1 418 . 1 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 1 1 419 . 1 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 1 1 420 . 1 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 1 1 421 . 1 2 2 B 39 39 ARG H H 268 8.890 8.672 0.218 1 1 422 . 1 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 1 1 423 . 1 2 2 B 39 39 ARG C C 268 175.360 177.669 -2.309 1 1 424 . 1 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 1 1 425 . 1 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 1 1 428 . 1 2 2 B 39 39 ARG N N 268 123.150 123.766 -0.616 1 1 429 . 1 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 1 1 430 . 1 2 2 B 40 40 THR HA H 269 4.350 4.458 -0.108 1 1 435 . 1 2 2 B 40 40 THR CA C 269 57.740 61.401 -3.661 1 1 436 . 1 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 1 1 438 . 1 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 1 1 439 . 1 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 1 1 446 . 1 2 2 B 41 41 PRO C C 270 174.840 177.159 -2.319 1 1 447 . 1 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 1 1 448 . 1 2 2 B 41 41 PRO CB C 270 29.490 32.006 -2.516 1 1 451 . 1 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 1 1 452 . 1 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 1 1 453 . 1 2 2 B 42 42 GLY HA3 H 271 3.510 4.129 -0.619 1 1 454 . 1 2 2 B 42 42 GLY C C 271 170.880 173.421 -2.541 1 1 455 . 1 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 1 1 456 . 1 2 2 B 42 42 GLY N N 271 111.140 106.624 4.516 1 1 457 . 1 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 1 1 458 . 1 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 1 1 463 . 1 2 2 B 43 43 THR C C 272 171.060 172.952 -1.892 1 1 464 . 1 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 1 1 465 . 1 2 2 B 43 43 THR CB C 272 69.370 69.921 -0.551 1 1 467 . 1 2 2 B 43 43 THR N N 272 110.830 113.788 -2.958 1 1 468 . 1 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 1 1 469 . 1 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 1 1 475 . 1 2 2 B 44 44 TYR C C 273 171.630 175.269 -3.639 1 1 476 . 1 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 1 1 477 . 1 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 1 1 480 . 1 2 2 B 44 44 TYR N N 273 122.220 127.138 -4.918 1 1 481 . 1 2 2 B 45 45 THR H H 274 9.230 9.160 0.070 1 1 482 . 1 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 1 1 487 . 1 2 2 B 45 45 THR C C 274 170.380 173.249 -2.869 1 1 488 . 1 2 2 B 45 45 THR CA C 274 59.190 61.432 -2.242 1 1 489 . 1 2 2 B 45 45 THR CB C 274 70.380 71.637 -1.257 1 1 491 . 1 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 1 1 492 . 1 2 2 B 46 46 VAL H H 275 9.360 8.634 0.726 1 1 493 . 1 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 1 1 495 . 1 2 2 B 46 46 VAL C C 275 171.920 175.350 -3.430 1 1 496 . 1 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 1 1 497 . 1 2 2 B 46 46 VAL CB C 275 30.940 31.163 -0.223 1 1 499 . 1 2 2 B 46 46 VAL N N 275 125.990 128.533 -2.543 1 1 500 . 1 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 1 1 501 . 1 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 1 1 504 . 1 2 2 B 47 47 SER C C 276 169.850 173.975 -4.125 1 1 505 . 1 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 1 1 506 . 1 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 1 1 507 . 1 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 1 1 508 . 1 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 1 1 509 . 1 2 2 B 48 48 VAL HA H 277 5.390 4.758 0.632 1 1 517 . 1 2 2 B 48 48 VAL C C 277 168.830 174.580 -5.750 1 1 518 . 1 2 2 B 48 48 VAL CA C 277 56.470 61.305 -4.835 1 1 519 . 1 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 1 1 522 . 1 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 1 1 523 . 1 2 2 B 49 49 PHE H H 278 8.910 9.532 -0.622 1 1 524 . 1 2 2 B 49 49 PHE HA H 278 4.930 5.297 -0.367 1 1 530 . 1 2 2 B 49 49 PHE C C 278 171.320 174.430 -3.110 1 1 531 . 1 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 1 1 532 . 1 2 2 B 49 49 PHE CB C 278 39.440 42.314 -2.874 1 1 533 . 1 2 2 B 49 49 PHE N N 278 128.410 128.389 0.021 1 1 534 . 1 2 2 B 50 50 THR H H 279 8.400 8.595 -0.195 1 1 535 . 1 2 2 B 50 50 THR HA H 279 4.740 4.309 0.431 1 1 540 . 1 2 2 B 50 50 THR C C 279 173.230 172.970 0.260 1 1 541 . 1 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 1 1 542 . 1 2 2 B 50 50 THR CB C 279 68.460 72.040 -3.580 1 1 544 . 1 2 2 B 50 50 THR N N 279 121.700 120.610 1.090 1 1 545 . 1 2 2 B 51 51 LYS H H 280 10.380 8.253 2.127 1 1 546 . 1 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 1 1 549 . 1 2 2 B 51 51 LYS C C 280 171.580 176.160 -4.580 1 1 550 . 1 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 1 1 551 . 1 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 1 1 555 . 1 2 2 B 51 51 LYS N N 280 130.550 126.064 4.486 1 1 556 . 1 2 2 B 52 52 ALA H H 281 9.020 8.580 0.440 1 1 557 . 1 2 2 B 52 52 ALA HA H 281 3.750 4.630 -0.880 1 1 561 . 1 2 2 B 52 52 ALA C C 281 171.580 176.105 -4.525 1 1 562 . 1 2 2 B 52 52 ALA CA C 281 50.670 50.822 -0.152 1 1 563 . 1 2 2 B 52 52 ALA CB C 281 17.140 21.973 -4.833 1 1 564 . 1 2 2 B 52 52 ALA N N 281 122.130 126.572 -4.442 1 1 565 . 1 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 1 1 566 . 1 2 2 B 53 53 ILE HA H 282 3.990 4.031 -0.041 1 1 576 . 1 2 2 B 53 53 ILE C C 282 173.770 175.864 -2.094 1 1 577 . 1 2 2 B 53 53 ILE CA C 282 57.780 62.323 -4.543 1 1 578 . 1 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 1 1 582 . 1 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 1 1 583 . 1 2 2 B 54 54 ILE H H 283 8.040 8.499 -0.459 1 1 584 . 1 2 2 B 54 54 ILE HA H 283 3.960 4.062 -0.102 1 1 594 . 1 2 2 B 54 54 ILE C C 283 173.830 177.536 -3.706 1 1 595 . 1 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 1 1 596 . 1 2 2 B 54 54 ILE CB C 283 35.570 38.471 -2.901 1 1 600 . 1 2 2 B 54 54 ILE N N 283 126.980 127.887 -0.907 1 1 601 . 1 2 2 B 55 55 SER H H 284 7.620 7.876 -0.256 1 1 602 . 1 2 2 B 55 55 SER HA H 284 4.170 4.284 -0.114 1 1 605 . 1 2 2 B 55 55 SER C C 284 171.240 174.593 -3.353 1 1 606 . 1 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 1 1 607 . 1 2 2 B 55 55 SER CB C 284 60.770 62.963 -2.193 1 1 608 . 1 2 2 B 55 55 SER N N 284 111.940 116.513 -4.573 1 1 609 . 1 2 2 B 56 56 GLU H H 285 7.330 7.831 -0.501 1 1 610 . 1 2 2 B 56 56 GLU HA H 285 4.100 4.768 -0.668 1 1 613 . 1 2 2 B 56 56 GLU C C 285 169.310 174.875 -5.565 1 1 614 . 1 2 2 B 56 56 GLU CA C 285 53.050 55.380 -2.330 1 1 615 . 1 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 1 1 617 . 1 2 2 B 56 56 GLU N N 285 124.640 119.108 5.532 1 1 618 . 1 2 2 B 57 57 ASN H H 286 7.980 9.032 -1.052 1 1 619 . 1 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 1 1 624 . 1 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 1 1 625 . 1 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 1 1 626 . 1 2 2 B 57 57 ASN N N 286 121.210 120.230 0.980 1 1 628 . 1 2 2 B 58 58 PRO HA H 287 4.800 4.836 -0.036 1 1 633 . 1 2 2 B 58 58 PRO C C 287 172.280 175.223 -2.943 1 1 634 . 1 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 1 1 635 . 1 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 1 1 638 . 1 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 1 1 639 . 1 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 1 1 642 . 1 2 2 B 59 59 CYS C C 288 168.670 173.223 -4.553 1 1 643 . 1 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 1 1 644 . 1 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 1 1 645 . 1 2 2 B 59 59 CYS N N 288 113.090 119.530 -6.440 1 1 646 . 1 2 2 B 60 60 ILE H H 289 8.160 8.653 -0.493 1 1 647 . 1 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 1 1 657 . 1 2 2 B 60 60 ILE C C 289 173.140 174.342 -1.202 1 1 658 . 1 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 1 1 659 . 1 2 2 B 60 60 ILE CB C 289 34.090 39.050 -4.960 1 1 663 . 1 2 2 B 60 60 ILE N N 289 121.390 125.036 -3.646 1 1 664 . 1 2 2 B 61 61 LYS H H 290 8.600 9.466 -0.866 1 1 665 . 1 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 1 1 668 . 1 2 2 B 61 61 LYS C C 290 171.240 175.162 -3.922 1 1 669 . 1 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 1 1 670 . 1 2 2 B 61 61 LYS CB C 290 32.110 33.829 -1.719 1 1 674 . 1 2 2 B 61 61 LYS N N 290 125.550 127.453 -1.903 1 1 675 . 1 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 1 1 676 . 1 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 1 1 681 . 1 2 2 B 62 62 HIS C C 291 172.580 173.428 -0.848 1 1 682 . 1 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 1 1 683 . 1 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 1 1 686 . 1 2 2 B 62 62 HIS N N 291 120.780 121.641 -0.861 1 1 687 . 1 2 2 B 63 63 TYR H H 292 9.730 8.768 0.962 1 1 688 . 1 2 2 B 63 63 TYR HA H 292 4.770 4.895 -0.125 1 1 693 . 1 2 2 B 63 63 TYR C C 292 172.440 175.396 -2.956 1 1 694 . 1 2 2 B 63 63 TYR CA C 292 53.760 56.839 -3.079 1 1 695 . 1 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 1 1 697 . 1 2 2 B 63 63 TYR N N 292 123.200 124.330 -1.130 1 1 698 . 1 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 1 1 699 . 1 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 1 1 702 . 1 2 2 B 64 64 HIS C C 293 172.600 175.423 -2.823 1 1 703 . 1 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 1 1 704 . 1 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 1 1 707 . 1 2 2 B 64 64 HIS N N 293 125.350 126.192 -0.842 1 1 708 . 1 2 2 B 65 65 ILE H H 294 8.730 8.784 -0.054 1 1 709 . 1 2 2 B 65 65 ILE HA H 294 3.960 3.948 0.012 1 1 719 . 1 2 2 B 65 65 ILE C C 294 172.770 175.956 -3.186 1 1 720 . 1 2 2 B 65 65 ILE CA C 294 60.480 62.228 -1.748 1 1 721 . 1 2 2 B 65 65 ILE CB C 294 33.270 37.696 -4.426 1 1 725 . 1 2 2 B 65 65 ILE N N 294 125.050 125.868 -0.818 1 1 726 . 1 2 2 B 66 66 LYS H H 295 8.650 8.064 0.586 1 1 727 . 1 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 1 1 732 . 1 2 2 B 66 66 LYS C C 295 171.730 175.580 -3.850 1 1 733 . 1 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 1 1 734 . 1 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 1 1 738 . 1 2 2 B 66 66 LYS N N 295 131.840 127.459 4.381 1 1 739 . 1 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 1 1 740 . 1 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 1 1 743 . 1 2 2 B 67 67 GLU C C 296 176.050 175.197 0.853 1 1 744 . 1 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 1 1 745 . 1 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 1 1 747 . 1 2 2 B 67 67 GLU N N 296 115.760 124.619 -8.859 1 1 748 . 1 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 1 1 749 . 1 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 1 1 754 . 1 2 2 B 68 68 THR C C 297 170.700 173.058 -2.358 1 1 755 . 1 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 1 1 756 . 1 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 1 1 758 . 1 2 2 B 68 68 THR N N 297 113.320 122.384 -9.064 1 1 759 . 1 2 2 B 69 69 ASN H H 298 8.340 8.899 -0.559 1 1 760 . 1 2 2 B 69 69 ASN HA H 298 4.820 4.665 0.155 1 1 765 . 1 2 2 B 69 69 ASN C C 298 173.110 174.036 -0.926 1 1 766 . 1 2 2 B 69 69 ASN CA C 298 49.830 53.285 -3.455 1 1 767 . 1 2 2 B 69 69 ASN CB C 298 35.370 38.369 -2.999 1 1 768 . 1 2 2 B 69 69 ASN N N 298 114.860 128.084 -13.224 1 1 770 . 1 2 2 B 70 70 ASP H H 299 7.090 8.381 -1.291 1 1 771 . 1 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 1 1 774 . 1 2 2 B 70 70 ASP C C 299 170.730 174.472 -3.742 1 1 775 . 1 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 1 1 776 . 1 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 1 1 777 . 1 2 2 B 70 70 ASP N N 299 117.020 126.148 -9.128 1 1 778 . 1 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 1 1 779 . 1 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 1 1 782 . 1 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 1 1 783 . 1 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 1 1 784 . 1 2 2 B 71 71 SER N N 300 112.940 115.562 -2.622 1 1 785 . 1 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 1 1 792 . 1 2 2 B 72 72 PRO C C 301 172.750 176.919 -4.169 1 1 793 . 1 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 1 1 794 . 1 2 2 B 72 72 PRO CB C 301 32.140 31.620 0.520 1 1 797 . 1 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 1 1 798 . 1 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 1 1 801 . 1 2 2 B 73 73 LYS C C 302 172.790 175.944 -3.154 1 1 802 . 1 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 1 1 803 . 1 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 1 1 807 . 1 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 1 1 808 . 1 2 2 B 74 74 ARG H H 303 7.270 8.429 -1.159 1 1 809 . 1 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 1 1 815 . 1 2 2 B 74 74 ARG C C 303 171.920 175.351 -3.431 1 1 816 . 1 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 1 1 817 . 1 2 2 B 74 74 ARG CB C 303 30.530 32.140 -1.610 1 1 820 . 1 2 2 B 74 74 ARG N N 303 119.540 118.722 0.818 1 1 822 . 1 2 2 B 75 75 TYR H H 304 8.790 7.580 1.210 1 1 823 . 1 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 1 1 830 . 1 2 2 B 75 75 TYR C C 304 172.790 175.321 -2.531 1 1 831 . 1 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 1 1 832 . 1 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 1 1 833 . 1 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 1 1 834 . 1 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 1 1 835 . 1 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 1 1 842 . 1 2 2 B 76 76 TYR C C 305 170.420 173.986 -3.566 1 1 843 . 1 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 1 1 844 . 1 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 1 1 847 . 1 2 2 B 76 76 TYR N N 305 116.190 119.599 -3.409 1 1 848 . 1 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 1 1 849 . 1 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 1 1 857 . 1 2 2 B 77 77 VAL C C 306 173.060 175.232 -2.172 1 1 858 . 1 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 1 1 859 . 1 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 1 1 862 . 1 2 2 B 77 77 VAL N N 306 114.390 116.871 -2.481 1 1 863 . 1 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 1 1 864 . 1 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 1 1 868 . 1 2 2 B 78 78 ALA C C 307 174.130 178.241 -4.111 1 1 869 . 1 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 1 1 870 . 1 2 2 B 78 78 ALA CB C 307 19.040 21.567 -2.527 1 1 871 . 1 2 2 B 78 78 ALA N N 307 128.320 126.877 1.443 1 1 872 . 1 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 1 1 873 . 1 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 1 1 876 . 1 2 2 B 79 79 GLU C C 308 173.390 175.732 -2.342 1 1 877 . 1 2 2 B 79 79 GLU CA C 308 56.920 57.808 -0.888 1 1 878 . 1 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 1 1 880 . 1 2 2 B 79 79 GLU N N 308 121.570 114.636 6.934 1 1 881 . 1 2 2 B 80 80 LYS H H 309 7.760 8.147 -0.387 1 1 882 . 1 2 2 B 80 80 LYS HA H 309 3.540 4.008 -0.468 1 1 887 . 1 2 2 B 80 80 LYS C C 309 172.950 175.439 -2.489 1 1 888 . 1 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 1 1 889 . 1 2 2 B 80 80 LYS CB C 309 29.500 32.282 -2.782 1 1 893 . 1 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 1 1 894 . 1 2 2 B 81 81 TYR H H 310 7.780 7.779 0.001 1 1 895 . 1 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 1 1 902 . 1 2 2 B 81 81 TYR C C 310 168.930 174.759 -5.829 1 1 903 . 1 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 1 1 904 . 1 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 1 1 907 . 1 2 2 B 81 81 TYR N N 310 120.570 115.355 5.215 1 1 908 . 1 2 2 B 82 82 VAL H H 311 7.180 8.376 -1.196 1 1 909 . 1 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 1 1 917 . 1 2 2 B 82 82 VAL C C 311 172.950 174.515 -1.565 1 1 918 . 1 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 1 1 919 . 1 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 1 1 922 . 1 2 2 B 82 82 VAL N N 311 120.960 120.281 0.679 1 1 923 . 1 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 1 1 924 . 1 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 1 1 932 . 1 2 2 B 83 83 PHE C C 312 173.980 175.565 -1.585 1 1 933 . 1 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 1 1 934 . 1 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 1 1 935 . 1 2 2 B 83 83 PHE N N 312 121.080 125.031 -3.951 1 1 936 . 1 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 1 1 937 . 1 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 1 1 939 . 1 2 2 B 84 84 ASP C C 313 172.950 175.930 -2.980 1 1 940 . 1 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 1 1 941 . 1 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 1 1 942 . 1 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 1 1 943 . 1 2 2 B 85 85 SER H H 314 7.590 8.004 -0.414 1 1 944 . 1 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 1 1 947 . 1 2 2 B 85 85 SER C C 314 170.010 174.277 -4.267 1 1 948 . 1 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 1 1 949 . 1 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 1 1 950 . 1 2 2 B 85 85 SER N N 314 110.490 113.543 -3.053 1 1 951 . 1 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 1 1 952 . 1 2 2 B 86 86 ILE HA H 315 3.480 3.886 -0.406 1 1 962 . 1 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 1 1 963 . 1 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 1 1 967 . 1 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 1 1 968 . 1 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 1 1 975 . 1 2 2 B 87 87 PRO C C 316 176.030 179.417 -3.387 1 1 976 . 1 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 1 1 977 . 1 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 1 1 980 . 1 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 1 1 981 . 1 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 1 1 991 . 1 2 2 B 88 88 LEU C C 317 175.370 178.813 -3.443 1 1 992 . 1 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 1 1 993 . 1 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 1 1 997 . 1 2 2 B 88 88 LEU N N 317 116.410 116.534 -0.124 1 1 998 . 1 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 1 1 999 . 1 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 1 1 1009 . 1 2 2 B 89 89 LEU C C 318 175.190 178.612 -3.422 1 1 1010 . 1 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 1 1 1011 . 1 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 1 1 1015 . 1 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 1 1 1016 . 1 2 2 B 90 90 ILE H H 319 7.880 7.543 0.337 1 1 1017 . 1 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 1 1 1027 . 1 2 2 B 90 90 ILE C C 319 174.550 178.071 -3.521 1 1 1028 . 1 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 1 1 1029 . 1 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 1 1 1033 . 1 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 1 1 1034 . 1 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 1 1 1035 . 1 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 1 1 1042 . 1 2 2 B 91 91 GLN C C 320 175.910 177.873 -1.963 1 1 1043 . 1 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 1 1 1044 . 1 2 2 B 91 91 GLN CB C 320 26.130 28.488 -2.358 1 1 1046 . 1 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 1 1 1048 . 1 2 2 B 92 92 TYR H H 321 7.520 8.101 -0.581 1 1 1049 . 1 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 1 1 1056 . 1 2 2 B 92 92 TYR C C 321 176.260 177.342 -1.082 1 1 1057 . 1 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 1 1 1058 . 1 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 1 1 1059 . 1 2 2 B 92 92 TYR N N 321 118.630 121.712 -3.082 1 1 1060 . 1 2 2 B 93 93 HIS H H 322 7.620 7.649 -0.029 1 1 1061 . 1 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 1 1 1067 . 1 2 2 B 93 93 HIS C C 322 172.600 177.184 -4.584 1 1 1068 . 1 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 1 1 1069 . 1 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 1 1 1072 . 1 2 2 B 93 93 HIS N N 322 116.830 117.193 -0.363 1 1 1073 . 1 2 2 B 94 94 GLN H H 323 7.600 7.701 -0.101 1 1 1074 . 1 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 1 1 1080 . 1 2 2 B 94 94 GLN C C 323 174.350 175.064 -0.714 1 1 1081 . 1 2 2 B 94 94 GLN CA C 323 54.900 58.310 -3.410 1 1 1082 . 1 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 1 1 1084 . 1 2 2 B 94 94 GLN N N 323 119.350 119.097 0.253 1 1 1086 . 1 2 2 B 95 95 TYR H H 324 6.760 7.481 -0.721 1 1 1087 . 1 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 1 1 1092 . 1 2 2 B 95 95 TYR C C 324 172.070 175.386 -3.316 1 1 1093 . 1 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 1 1 1094 . 1 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 1 1 1097 . 1 2 2 B 95 95 TYR N N 324 115.090 117.250 -2.160 1 1 1098 . 1 2 2 B 96 96 ASN H H 325 7.540 8.967 -1.427 1 1 1099 . 1 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 1 1 1104 . 1 2 2 B 96 96 ASN C C 325 170.690 174.887 -4.197 1 1 1105 . 1 2 2 B 96 96 ASN CA C 325 49.330 55.163 -5.833 1 1 1106 . 1 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 1 1 1107 . 1 2 2 B 96 96 ASN N N 325 117.890 120.738 -2.848 1 1 1109 . 1 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 1 1 1110 . 1 2 2 B 97 97 GLY C C 326 173.560 172.093 1.467 1 1 1111 . 1 2 2 B 97 97 GLY CA C 326 43.820 45.134 -1.314 1 1 1112 . 1 2 2 B 97 97 GLY N N 326 109.780 108.612 1.168 1 1 1113 . 1 2 2 B 98 98 GLY H H 327 8.180 8.807 -0.627 1 1 1114 . 1 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 1 1 1115 . 1 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 1 1 1116 . 1 2 2 B 98 98 GLY C C 327 170.780 174.560 -3.780 1 1 1117 . 1 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 1 1 1118 . 1 2 2 B 98 98 GLY N N 327 107.410 111.323 -3.913 1 1 1119 . 1 2 2 B 99 99 GLY H H 328 8.230 9.026 -0.796 1 1 1120 . 1 2 2 B 99 99 GLY HA2 H 328 4.210 3.945 0.265 1 1 1121 . 1 2 2 B 99 99 GLY HA3 H 328 3.640 3.989 -0.349 1 1 1122 . 1 2 2 B 99 99 GLY C C 328 172.370 173.368 -0.998 1 1 1123 . 1 2 2 B 99 99 GLY CA C 328 42.400 46.642 -4.242 1 1 1124 . 1 2 2 B 99 99 GLY N N 328 106.610 108.149 -1.539 1 1 1125 . 1 2 2 B 100 100 LEU H H 329 7.630 7.121 0.509 1 1 1126 . 1 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 1 1 1136 . 1 2 2 B 100 100 LEU C C 329 175.380 176.911 -1.531 1 1 1137 . 1 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 1 1 1138 . 1 2 2 B 100 100 LEU CB C 329 40.310 45.061 -4.751 1 1 1142 . 1 2 2 B 100 100 LEU N N 329 119.240 120.151 -0.911 1 1 1143 . 1 2 2 B 101 101 VAL H H 330 7.410 8.542 -1.132 1 1 1144 . 1 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 1 1 1149 . 1 2 2 B 101 101 VAL CA C 330 60.940 64.439 -3.499 1 1 1150 . 1 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 1 1 1152 . 1 2 2 B 101 101 VAL N N 330 114.840 125.339 -10.499 1 1 1153 . 1 2 2 B 102 102 THR H H 331 6.940 7.455 -0.515 1 1 1154 . 1 2 2 B 102 102 THR HA H 331 4.210 4.551 -0.341 1 1 1159 . 1 2 2 B 102 102 THR C C 331 168.210 174.032 -5.822 1 1 1160 . 1 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 1 1 1161 . 1 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 1 1 1163 . 1 2 2 B 102 102 THR N N 331 112.880 107.996 4.884 1 1 1164 . 1 2 2 B 103 103 ARG H H 332 7.400 7.897 -0.497 1 1 1165 . 1 2 2 B 103 103 ARG HA H 332 3.970 3.997 -0.027 1 1 1168 . 1 2 2 B 103 103 ARG C C 332 172.790 175.346 -2.556 1 1 1169 . 1 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 1 1 1170 . 1 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 1 1 1173 . 1 2 2 B 103 103 ARG N N 332 120.120 118.243 1.877 1 1 1174 . 1 2 2 B 104 104 LEU H H 333 7.340 7.891 -0.551 1 1 1175 . 1 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 1 1 1185 . 1 2 2 B 104 104 LEU C C 333 172.260 176.634 -4.374 1 1 1186 . 1 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 1 1 1187 . 1 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 1 1 1191 . 1 2 2 B 104 104 LEU N N 333 119.700 125.040 -5.340 1 1 1192 . 1 2 2 B 105 105 ARG H H 334 8.190 8.832 -0.642 1 1 1193 . 1 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 1 1 1194 . 1 2 2 B 105 105 ARG C C 334 174.150 175.087 -0.937 1 1 1195 . 1 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 1 1 1196 . 1 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 1 1 1199 . 1 2 2 B 105 105 ARG N N 334 122.270 125.630 -3.360 1 1 1200 . 1 2 2 B 106 106 TYR H H 335 7.600 7.867 -0.267 1 1 1201 . 1 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 1 1 1206 . 1 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 1 1 1207 . 1 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 1 1 1208 . 1 2 2 B 106 106 TYR N N 335 117.950 118.541 -0.591 1 1 1209 . 1 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 1 1 1216 . 1 2 2 B 107 107 PRO C C 336 173.810 175.665 -1.855 1 1 1217 . 1 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 1 1 1218 . 1 2 2 B 107 107 PRO CB C 336 30.100 32.184 -2.084 1 1 1221 . 1 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 1 1 1222 . 1 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 1 1 1230 . 1 2 2 B 108 108 VAL C C 337 171.050 174.357 -3.307 1 1 1231 . 1 2 2 B 108 108 VAL CA C 337 59.380 60.353 -0.973 1 1 1232 . 1 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 1 1 1235 . 1 2 2 B 108 108 VAL N N 337 124.780 120.080 4.700 1 1 1236 . 1 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 1 1 1237 . 1 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 1 1 1240 . 1 2 2 B 109 109 CYS C C 338 172.430 174.525 -2.095 1 1 1241 . 1 2 2 B 109 109 CYS CA C 338 54.830 57.308 -2.478 1 1 1242 . 1 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 1 1 1243 . 1 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 1 2 4 . 1 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 1 2 5 . 1 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 1 2 6 . 1 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 1 2 7 . 1 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 1 2 12 . 1 1 1 A 3 3 PRO C C 171 174.290 176.958 -2.668 1 2 13 . 1 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 1 2 14 . 1 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 1 2 17 . 1 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 1 2 18 . 1 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 1 2 23 . 1 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 1 2 24 . 1 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 1 2 25 . 1 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 1 2 27 . 1 1 1 A 4 4 GLU N N 172 119.350 115.861 3.489 1 2 28 . 1 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 1 2 29 . 1 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 1 2 32 . 1 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 1 2 33 . 1 1 1 A 5 5 GLU CA C 173 54.390 54.761 -0.371 1 2 34 . 1 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 1 2 36 . 1 1 1 A 5 5 GLU N N 173 120.550 116.496 4.054 1 2 37 . 1 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 1 2 38 . 1 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 1 2 43 . 1 1 1 A 6 6 THR C C 174 170.170 172.506 -2.336 1 2 44 . 1 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 1 2 45 . 1 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 1 2 47 . 1 1 1 A 6 6 THR N N 174 119.000 114.961 4.039 1 2 48 . 1 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 1 2 49 . 1 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 1 2 59 . 1 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 1 2 60 . 1 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 1 2 61 . 1 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 1 2 65 . 1 1 1 A 7 7 LEU N N 175 127.130 123.771 3.359 1 2 66 . 1 1 1 A 8 8 VAL H H 176 9.200 8.934 0.266 1 2 67 . 1 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 1 2 75 . 1 1 1 A 8 8 VAL C C 176 170.920 174.626 -3.706 1 2 76 . 1 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 1 2 77 . 1 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 1 2 80 . 1 1 1 A 8 8 VAL N N 176 114.510 117.405 -2.895 1 2 81 . 1 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 1 2 82 . 1 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 1 2 92 . 1 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 1 2 93 . 1 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 1 2 94 . 1 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 1 2 98 . 1 1 1 A 9 9 ILE N N 177 120.630 121.748 -1.118 1 2 99 . 1 1 1 A 10 10 ALA H H 178 8.140 8.492 -0.352 1 2 100 . 1 1 1 A 10 10 ALA HA H 178 5.020 4.747 0.273 1 2 104 . 1 1 1 A 10 10 ALA C C 178 176.100 178.181 -2.081 1 2 105 . 1 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 1 2 106 . 1 1 1 A 10 10 ALA CB C 178 17.410 19.050 -1.640 1 2 107 . 1 1 1 A 10 10 ALA N N 178 125.350 128.303 -2.953 1 2 108 . 1 1 1 A 11 11 LEU H H 179 9.270 8.578 0.692 1 2 109 . 1 1 1 A 11 11 LEU HA H 179 3.820 3.910 -0.090 1 2 119 . 1 1 1 A 11 11 LEU C C 179 172.830 176.318 -3.488 1 2 120 . 1 1 1 A 11 11 LEU CA C 179 52.950 57.091 -4.141 1 2 121 . 1 1 1 A 11 11 LEU CB C 179 41.340 41.785 -0.445 1 2 125 . 1 1 1 A 11 11 LEU N N 179 125.920 125.563 0.357 1 2 126 . 1 1 1 A 12 12 TYR H H 180 6.950 7.706 -0.756 1 2 127 . 1 1 1 A 12 12 TYR HA H 180 4.590 4.827 -0.237 1 2 130 . 1 1 1 A 12 12 TYR C C 180 170.940 174.333 -3.393 1 2 131 . 1 1 1 A 12 12 TYR CA C 180 50.960 56.866 -5.906 1 2 132 . 1 1 1 A 12 12 TYR CB C 180 39.780 41.489 -1.709 1 2 133 . 1 1 1 A 12 12 TYR N N 180 111.350 115.131 -3.781 1 2 134 . 1 1 1 A 13 13 ASP H H 181 8.150 8.608 -0.458 1 2 135 . 1 1 1 A 13 13 ASP HA H 181 4.510 4.882 -0.372 1 2 138 . 1 1 1 A 13 13 ASP C C 181 173.290 174.583 -1.293 1 2 139 . 1 1 1 A 13 13 ASP CA C 181 51.890 52.980 -1.090 1 2 140 . 1 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 1 2 141 . 1 1 1 A 13 13 ASP N N 181 117.630 122.332 -4.702 1 2 142 . 1 1 1 A 14 14 TYR H H 182 8.650 8.775 -0.125 1 2 143 . 1 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 1 2 144 . 1 1 1 A 14 14 TYR C C 182 171.140 175.149 -4.009 1 2 145 . 1 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 1 2 146 . 1 1 1 A 14 14 TYR CB C 182 38.980 39.940 -0.960 1 2 147 . 1 1 1 A 14 14 TYR N N 182 121.640 127.856 -6.216 1 2 148 . 1 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 1 2 149 . 1 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 1 2 154 . 1 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 1 2 155 . 1 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 1 2 156 . 1 1 1 A 15 15 GLN CB C 183 26.830 32.322 -5.492 1 2 158 . 1 1 1 A 15 15 GLN N N 183 126.050 126.069 -0.019 1 2 160 . 1 1 1 A 16 16 THR H H 184 7.770 9.051 -1.281 1 2 161 . 1 1 1 A 16 16 THR HA H 184 4.220 4.579 -0.359 1 2 166 . 1 1 1 A 16 16 THR C C 184 169.070 174.428 -5.358 1 2 167 . 1 1 1 A 16 16 THR CA C 184 56.940 62.175 -5.235 1 2 168 . 1 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 1 2 170 . 1 1 1 A 16 16 THR N N 184 115.120 119.979 -4.859 1 2 171 . 1 1 1 A 17 17 ASN H H 185 8.590 9.147 -0.557 1 2 172 . 1 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 1 2 177 . 1 1 1 A 17 17 ASN C C 185 172.010 174.524 -2.514 1 2 178 . 1 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 1 2 179 . 1 1 1 A 17 17 ASN CB C 185 37.300 40.301 -3.001 1 2 180 . 1 1 1 A 17 17 ASN N N 185 122.670 120.486 2.184 1 2 182 . 1 1 1 A 18 18 ASP H H 186 8.370 7.711 0.659 1 2 183 . 1 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 1 2 186 . 1 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 1 2 187 . 1 1 1 A 18 18 ASP CB C 186 40.440 42.768 -2.328 1 2 188 . 1 1 1 A 18 18 ASP N N 186 125.630 118.036 7.594 1 2 189 . 1 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 1 2 194 . 1 1 1 A 19 19 PRO C C 187 174.970 178.825 -3.855 1 2 195 . 1 1 1 A 19 19 PRO CA C 187 61.850 65.471 -3.621 1 2 196 . 1 1 1 A 19 19 PRO CB C 187 29.770 31.679 -1.909 1 2 199 . 1 1 1 A 20 20 GLN H H 188 8.820 8.540 0.280 1 2 200 . 1 1 1 A 20 20 GLN HA H 188 4.460 4.020 0.440 1 2 205 . 1 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 1 2 206 . 1 1 1 A 20 20 GLN CA C 188 53.440 59.197 -5.757 1 2 207 . 1 1 1 A 20 20 GLN CB C 188 27.070 28.296 -1.226 1 2 209 . 1 1 1 A 20 20 GLN N N 188 115.810 117.172 -1.362 1 2 211 . 1 1 1 A 21 21 GLU H H 189 7.870 7.830 0.040 1 2 212 . 1 1 1 A 21 21 GLU HA H 189 5.270 4.618 0.652 1 2 215 . 1 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 1 2 216 . 1 1 1 A 21 21 GLU CA C 189 52.390 57.208 -4.818 1 2 217 . 1 1 1 A 21 21 GLU CB C 189 31.370 30.290 1.080 1 2 219 . 1 1 1 A 21 21 GLU N N 189 120.380 118.174 2.206 1 2 220 . 1 1 1 A 22 22 LEU H H 190 8.070 8.626 -0.556 1 2 221 . 1 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 1 2 231 . 1 1 1 A 22 22 LEU C C 190 170.930 176.657 -5.727 1 2 232 . 1 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 1 2 233 . 1 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 1 2 237 . 1 1 1 A 22 22 LEU N N 190 123.040 124.700 -1.660 1 2 238 . 1 1 1 A 23 23 ALA H H 191 7.770 8.616 -0.846 1 2 239 . 1 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 1 2 243 . 1 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 1 2 244 . 1 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 1 2 245 . 1 1 1 A 23 23 ALA CB C 191 16.320 19.217 -2.897 1 2 246 . 1 1 1 A 23 23 ALA N N 191 124.770 128.088 -3.318 1 2 247 . 1 1 1 A 24 24 LEU H H 192 8.530 8.944 -0.414 1 2 248 . 1 1 1 A 24 24 LEU HA H 192 4.940 5.401 -0.461 1 2 258 . 1 1 1 A 24 24 LEU C C 192 175.110 175.714 -0.604 1 2 259 . 1 1 1 A 24 24 LEU CA C 192 50.020 53.379 -3.359 1 2 260 . 1 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 1 2 264 . 1 1 1 A 24 24 LEU N N 192 117.040 121.079 -4.039 1 2 265 . 1 1 1 A 25 25 ARG H H 193 8.260 8.848 -0.588 1 2 266 . 1 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 1 2 271 . 1 1 1 A 25 25 ARG C C 193 171.570 174.174 -2.604 1 2 272 . 1 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 1 2 273 . 1 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 1 2 276 . 1 1 1 A 25 25 ARG N N 193 123.500 120.228 3.272 1 2 278 . 1 1 1 A 26 26 CYS H H 194 8.890 8.520 0.370 1 2 279 . 1 1 1 A 26 26 CYS HA H 194 3.240 4.532 -1.292 1 2 280 . 1 1 1 A 26 26 CYS C C 194 172.110 175.291 -3.181 1 2 281 . 1 1 1 A 26 26 CYS CA C 194 58.740 59.411 -0.671 1 2 282 . 1 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 1 2 283 . 1 1 1 A 26 26 CYS N N 194 123.100 123.155 -0.055 1 2 284 . 1 1 1 A 27 27 ASP H H 195 8.860 8.957 -0.097 1 2 285 . 1 1 1 A 27 27 ASP HA H 195 4.150 4.172 -0.022 1 2 288 . 1 1 1 A 27 27 ASP C C 195 172.530 174.137 -1.607 1 2 289 . 1 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 1 2 290 . 1 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 1 2 291 . 1 1 1 A 27 27 ASP N N 195 120.740 120.570 0.170 1 2 292 . 1 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 1 2 293 . 1 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 1 2 294 . 1 1 1 A 28 28 GLU C C 196 170.910 175.096 -4.186 1 2 295 . 1 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 1 2 296 . 1 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 1 2 298 . 1 1 1 A 28 28 GLU N N 196 122.610 118.800 3.810 1 2 299 . 1 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 1 2 300 . 1 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 1 2 303 . 1 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 1 2 304 . 1 1 1 A 29 29 GLU CA C 197 51.650 54.328 -2.678 1 2 305 . 1 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 1 2 307 . 1 1 1 A 29 29 GLU N N 197 119.280 124.479 -5.199 1 2 308 . 1 1 1 A 30 30 TYR H H 198 9.110 8.857 0.253 1 2 309 . 1 1 1 A 30 30 TYR HA H 198 4.410 5.147 -0.737 1 2 312 . 1 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 1 2 313 . 1 1 1 A 30 30 TYR CA C 198 53.790 56.456 -2.666 1 2 314 . 1 1 1 A 30 30 TYR CB C 198 39.450 43.581 -4.131 1 2 315 . 1 1 1 A 30 30 TYR N N 198 119.170 119.072 0.098 1 2 316 . 1 1 1 A 31 31 TYR H H 199 9.190 8.759 0.431 1 2 317 . 1 1 1 A 31 31 TYR HA H 199 4.780 5.363 -0.583 1 2 320 . 1 1 1 A 31 31 TYR C C 199 173.570 174.751 -1.181 1 2 321 . 1 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 1 2 322 . 1 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 1 2 323 . 1 1 1 A 31 31 TYR N N 199 119.570 118.572 0.998 1 2 324 . 1 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 1 2 325 . 1 1 1 A 32 32 LEU HA H 200 4.310 5.210 -0.900 1 2 335 . 1 1 1 A 32 32 LEU C C 200 172.640 175.669 -3.029 1 2 336 . 1 1 1 A 32 32 LEU CA C 200 52.200 53.650 -1.450 1 2 337 . 1 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 1 2 341 . 1 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 1 2 342 . 1 1 1 A 33 33 LEU H H 201 8.790 8.767 0.023 1 2 343 . 1 1 1 A 33 33 LEU HA H 201 4.370 4.631 -0.261 1 2 353 . 1 1 1 A 33 33 LEU C C 201 174.910 176.979 -2.069 1 2 354 . 1 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 1 2 355 . 1 1 1 A 33 33 LEU CB C 201 39.660 43.724 -4.064 1 2 359 . 1 1 1 A 33 33 LEU N N 201 127.530 126.843 0.687 1 2 360 . 1 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 1 2 361 . 1 1 1 A 34 34 ASP HA H 202 4.640 4.910 -0.270 1 2 362 . 1 1 1 A 34 34 ASP C C 202 172.520 175.953 -3.433 1 2 363 . 1 1 1 A 34 34 ASP CA C 202 52.110 53.153 -1.043 1 2 364 . 1 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 1 2 365 . 1 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 1 2 366 . 1 1 1 A 35 35 SER H H 203 8.960 8.865 0.095 1 2 367 . 1 1 1 A 35 35 SER HA H 203 4.250 3.979 0.271 1 2 370 . 1 1 1 A 35 35 SER C C 203 171.520 176.494 -4.974 1 2 371 . 1 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 1 2 372 . 1 1 1 A 35 35 SER CB C 203 59.680 62.943 -3.263 1 2 373 . 1 1 1 A 35 35 SER N N 203 123.770 121.633 2.137 1 2 374 . 1 1 1 A 36 36 SER H H 204 8.510 7.437 1.073 1 2 375 . 1 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 1 2 378 . 1 1 1 A 36 36 SER C C 204 172.960 175.246 -2.286 1 2 379 . 1 1 1 A 36 36 SER CA C 204 59.310 61.489 -2.179 1 2 380 . 1 1 1 A 36 36 SER CB C 204 60.670 62.510 -1.840 1 2 381 . 1 1 1 A 36 36 SER N N 204 118.690 113.962 4.728 1 2 382 . 1 1 1 A 37 37 GLU H H 205 8.770 7.769 1.001 1 2 383 . 1 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 1 2 386 . 1 1 1 A 37 37 GLU C C 205 173.990 176.296 -2.306 1 2 387 . 1 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 1 2 388 . 1 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 1 2 390 . 1 1 1 A 37 37 GLU N N 205 123.110 121.799 1.311 1 2 391 . 1 1 1 A 38 38 ILE H H 206 8.130 8.124 0.006 1 2 392 . 1 1 1 A 38 38 ILE HA H 206 3.770 3.933 -0.163 1 2 402 . 1 1 1 A 38 38 ILE C C 206 176.120 177.509 -1.389 1 2 403 . 1 1 1 A 38 38 ILE CA C 206 62.000 63.405 -1.405 1 2 404 . 1 1 1 A 38 38 ILE CB C 206 35.530 37.557 -2.027 1 2 408 . 1 1 1 A 38 38 ILE N N 206 117.030 123.195 -6.165 1 2 409 . 1 1 1 A 39 39 HIS H H 207 8.460 6.705 1.755 1 2 410 . 1 1 1 A 39 39 HIS HA H 207 4.190 4.129 0.061 1 2 416 . 1 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 1 2 417 . 1 1 1 A 39 39 HIS CA C 207 55.490 58.120 -2.630 1 2 418 . 1 1 1 A 39 39 HIS CB C 207 29.180 29.407 -0.227 1 2 421 . 1 1 1 A 39 39 HIS N N 207 116.550 118.204 -1.654 1 2 422 . 1 1 1 A 40 40 TRP H H 208 7.110 8.415 -1.305 1 2 423 . 1 1 1 A 40 40 TRP HA H 208 4.830 5.084 -0.254 1 2 432 . 1 1 1 A 40 40 TRP C C 208 171.260 175.152 -3.892 1 2 433 . 1 1 1 A 40 40 TRP CA C 208 53.520 55.460 -1.940 1 2 434 . 1 1 1 A 40 40 TRP CB C 208 29.810 32.197 -2.387 1 2 440 . 1 1 1 A 40 40 TRP N N 208 119.720 117.248 2.472 1 2 442 . 1 1 1 A 41 41 TRP H H 209 9.230 8.738 0.492 1 2 443 . 1 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 1 2 452 . 1 1 1 A 41 41 TRP C C 209 172.080 176.077 -3.997 1 2 453 . 1 1 1 A 41 41 TRP CA C 209 50.440 55.725 -5.285 1 2 454 . 1 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 1 2 460 . 1 1 1 A 41 41 TRP N N 209 124.040 122.698 1.342 1 2 462 . 1 1 1 A 42 42 ARG H H 210 8.810 8.912 -0.102 1 2 463 . 1 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 1 2 468 . 1 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 1 2 469 . 1 1 1 A 42 42 ARG CA C 210 52.810 57.315 -4.505 1 2 470 . 1 1 1 A 42 42 ARG CB C 210 29.320 31.059 -1.739 1 2 473 . 1 1 1 A 42 42 ARG N N 210 123.410 125.391 -1.981 1 2 475 . 1 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 1 2 476 . 1 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 1 2 484 . 1 1 1 A 43 43 VAL C C 211 170.480 173.631 -3.151 1 2 485 . 1 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 1 2 486 . 1 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 1 2 489 . 1 1 1 A 43 43 VAL N N 211 121.440 118.623 2.817 1 2 490 . 1 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 1 2 491 . 1 1 1 A 44 44 GLN HA H 212 5.610 5.055 0.555 1 2 498 . 1 1 1 A 44 44 GLN C C 212 172.980 174.839 -1.859 1 2 499 . 1 1 1 A 44 44 GLN CA C 212 50.810 54.326 -3.516 1 2 500 . 1 1 1 A 44 44 GLN CB C 212 32.440 31.917 0.523 1 2 502 . 1 1 1 A 44 44 GLN N N 212 119.200 121.842 -2.642 1 2 504 . 1 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 1 2 505 . 1 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 1 2 508 . 1 1 1 A 45 45 ASP C C 213 175.570 177.600 -2.030 1 2 509 . 1 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 1 2 510 . 1 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 1 2 511 . 1 1 1 A 45 45 ASP N N 213 125.560 128.049 -2.489 1 2 512 . 1 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 1 2 513 . 1 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 1 2 516 . 1 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 1 2 517 . 1 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 1 2 518 . 1 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 1 2 522 . 1 1 1 A 46 46 LYS N N 214 117.320 125.853 -8.533 1 2 523 . 1 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 1 2 524 . 1 1 1 A 47 47 ASN HA H 215 4.790 4.667 0.123 1 2 529 . 1 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 1 2 530 . 1 1 1 A 47 47 ASN CA C 215 50.430 53.894 -3.464 1 2 531 . 1 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 1 2 532 . 1 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 1 2 534 . 1 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 1 2 535 . 1 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 1 2 536 . 1 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 1 2 537 . 1 1 1 A 48 48 GLY C C 216 171.730 174.563 -2.833 1 2 538 . 1 1 1 A 48 48 GLY CA C 216 42.800 45.507 -2.707 1 2 539 . 1 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 1 2 540 . 1 1 1 A 49 49 HIS H H 217 8.500 7.992 0.508 1 2 541 . 1 1 1 A 49 49 HIS HA H 217 4.610 4.565 0.045 1 2 547 . 1 1 1 A 49 49 HIS C C 217 171.240 173.859 -2.619 1 2 548 . 1 1 1 A 49 49 HIS CA C 217 53.440 55.543 -2.103 1 2 549 . 1 1 1 A 49 49 HIS CB C 217 26.730 29.727 -2.997 1 2 552 . 1 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 1 2 553 . 1 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 1 2 554 . 1 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 1 2 557 . 1 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 1 2 558 . 1 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 1 2 559 . 1 1 1 A 50 50 GLU CB C 218 32.010 32.020 -0.010 1 2 561 . 1 1 1 A 50 50 GLU N N 218 120.370 122.467 -2.097 1 2 562 . 1 1 1 A 51 51 GLY H H 219 8.490 8.399 0.091 1 2 563 . 1 1 1 A 51 51 GLY HA2 H 219 3.790 4.006 -0.216 1 2 564 . 1 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 1 2 565 . 1 1 1 A 51 51 GLY C C 219 168.050 171.163 -3.113 1 2 566 . 1 1 1 A 51 51 GLY CA C 219 42.530 45.540 -3.010 1 2 567 . 1 1 1 A 51 51 GLY N N 219 106.330 108.578 -2.248 1 2 568 . 1 1 1 A 52 52 TYR H H 220 8.780 8.486 0.294 1 2 569 . 1 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 1 2 572 . 1 1 1 A 52 52 TYR C C 220 172.700 176.230 -3.530 1 2 573 . 1 1 1 A 52 52 TYR CA C 220 56.490 58.735 -2.245 1 2 574 . 1 1 1 A 52 52 TYR CB C 220 38.490 39.521 -1.031 1 2 575 . 1 1 1 A 52 52 TYR N N 220 118.110 119.720 -1.610 1 2 576 . 1 1 1 A 53 53 ALA H H 221 9.350 9.041 0.309 1 2 577 . 1 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 1 2 581 . 1 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 1 2 582 . 1 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 1 2 583 . 1 1 1 A 53 53 ALA N N 221 122.250 126.259 -4.009 1 2 584 . 1 1 1 A 54 54 PRO HA H 222 3.460 3.756 -0.296 1 2 591 . 1 1 1 A 54 54 PRO C C 222 175.420 176.146 -0.726 1 2 592 . 1 1 1 A 54 54 PRO CA C 222 59.050 62.377 -3.327 1 2 593 . 1 1 1 A 54 54 PRO CB C 222 28.110 32.727 -4.617 1 2 596 . 1 1 1 A 55 55 SER H H 223 7.560 8.256 -0.696 1 2 597 . 1 1 1 A 55 55 SER HA H 223 2.620 3.373 -0.753 1 2 600 . 1 1 1 A 55 55 SER C C 223 173.930 176.072 -2.142 1 2 601 . 1 1 1 A 55 55 SER CA C 223 57.600 59.959 -2.359 1 2 602 . 1 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 1 2 603 . 1 1 1 A 55 55 SER N N 223 121.750 117.434 4.316 1 2 604 . 1 1 1 A 56 56 SER H H 224 8.020 7.693 0.327 1 2 605 . 1 1 1 A 56 56 SER HA H 224 3.970 4.063 -0.093 1 2 608 . 1 1 1 A 56 56 SER C C 224 172.380 175.737 -3.357 1 2 609 . 1 1 1 A 56 56 SER CA C 224 57.350 62.130 -4.780 1 2 610 . 1 1 1 A 56 56 SER CB C 224 60.190 63.030 -2.840 1 2 611 . 1 1 1 A 56 56 SER N N 224 115.180 116.511 -1.331 1 2 612 . 1 1 1 A 57 57 TYR H H 225 7.450 7.427 0.023 1 2 613 . 1 1 1 A 57 57 TYR HA H 225 4.430 4.524 -0.094 1 2 616 . 1 1 1 A 57 57 TYR C C 225 171.470 175.197 -3.727 1 2 617 . 1 1 1 A 57 57 TYR CA C 225 55.180 60.093 -4.913 1 2 618 . 1 1 1 A 57 57 TYR CB C 225 35.610 38.667 -3.057 1 2 619 . 1 1 1 A 57 57 TYR N N 225 121.760 118.662 3.098 1 2 620 . 1 1 1 A 58 58 LEU H H 226 7.290 7.613 -0.323 1 2 621 . 1 1 1 A 58 58 LEU HA H 226 5.230 5.131 0.099 1 2 631 . 1 1 1 A 58 58 LEU C C 226 172.400 175.831 -3.431 1 2 632 . 1 1 1 A 58 58 LEU CA C 226 51.150 53.637 -2.487 1 2 633 . 1 1 1 A 58 58 LEU CB C 226 44.740 44.846 -0.106 1 2 637 . 1 1 1 A 58 58 LEU N N 226 120.930 120.486 0.444 1 2 638 . 1 1 1 A 59 59 VAL H H 227 8.480 8.924 -0.444 1 2 639 . 1 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 1 2 647 . 1 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 1 2 648 . 1 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 1 2 649 . 1 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 1 2 652 . 1 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 1 2 653 . 1 1 1 A 60 60 GLU H H 228 8.920 8.618 0.302 1 2 654 . 1 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 1 2 657 . 1 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 1 2 658 . 1 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 1 2 659 . 1 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 1 2 661 . 1 1 1 A 60 60 GLU N N 228 124.860 124.518 0.342 1 2 662 . 1 1 1 A 61 61 LYS H H 229 8.300 9.416 -1.116 1 2 663 . 1 1 1 A 61 61 LYS HA H 229 4.080 3.813 0.267 1 2 670 . 1 1 1 A 61 61 LYS C C 229 173.430 176.319 -2.889 1 2 671 . 1 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 1 2 672 . 1 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 1 2 676 . 1 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 1 2 677 . 1 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 1 2 678 . 1 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 1 2 681 . 1 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 1 2 682 . 1 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 1 2 683 . 1 1 1 A 62 62 SER N N 230 121.100 114.265 6.835 1 3 12 . 1 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 1 3 17 . 1 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 1 3 18 . 1 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 1 3 20 . 1 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 1 3 21 . 1 2 2 B 5 5 LEU HA H 234 3.900 4.081 -0.181 1 3 31 . 1 2 2 B 5 5 LEU CA C 234 53.890 54.671 -0.781 1 3 32 . 1 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 1 3 36 . 1 2 2 B 5 5 LEU N N 234 122.070 125.229 -3.159 1 3 37 . 1 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 1 3 38 . 1 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 1 3 41 . 1 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 1 3 42 . 1 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 1 3 44 . 1 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 1 3 45 . 1 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 1 3 46 . 1 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 1 3 51 . 1 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 1 3 52 . 1 2 2 B 7 7 THR CB C 236 66.580 67.892 -1.312 1 3 54 . 1 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 1 3 55 . 1 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 1 3 56 . 1 2 2 B 8 8 TYR HA H 237 3.970 4.436 -0.466 1 3 63 . 1 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 1 3 64 . 1 2 2 B 8 8 TYR CB C 237 35.030 38.888 -3.858 1 3 66 . 1 2 2 B 8 8 TYR N N 237 120.720 121.572 -0.852 1 3 67 . 1 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 1 3 68 . 1 2 2 B 9 9 GLU HA H 238 3.860 4.175 -0.315 1 3 71 . 1 2 2 B 9 9 GLU CA C 238 55.770 58.852 -3.082 1 3 72 . 1 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 1 3 74 . 1 2 2 B 9 9 GLU N N 238 122.650 119.607 3.043 1 3 75 . 1 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 1 3 76 . 1 2 2 B 10 10 TRP HA H 239 4.190 4.516 -0.326 1 3 85 . 1 2 2 B 10 10 TRP CA C 239 50.520 60.007 -9.487 1 3 86 . 1 2 2 B 10 10 TRP CB C 239 27.060 28.409 -1.349 1 3 92 . 1 2 2 B 10 10 TRP N N 239 107.760 118.881 -11.121 1 3 94 . 1 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 1 3 95 . 1 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 1 3 102 . 1 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 1 3 103 . 1 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 1 3 105 . 1 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 1 3 106 . 1 2 2 B 12 12 ASN H H 241 8.610 8.150 0.460 1 3 107 . 1 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 1 3 112 . 1 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 1 3 113 . 1 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 1 3 114 . 1 2 2 B 12 12 ASN N N 241 128.150 126.220 1.930 1 3 116 . 1 2 2 B 13 13 LYS H H 242 7.400 8.583 -1.183 1 3 117 . 1 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 1 3 120 . 1 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 1 3 121 . 1 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 1 3 125 . 1 2 2 B 13 13 LYS N N 242 121.780 123.697 -1.917 1 3 126 . 1 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 1 3 127 . 1 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 1 3 130 . 1 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 1 3 131 . 1 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 1 3 132 . 1 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 1 3 133 . 1 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 1 3 134 . 1 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 1 3 141 . 1 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 1 3 142 . 1 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 1 3 146 . 1 2 2 B 15 15 ILE N N 244 120.010 122.243 -2.233 1 3 147 . 1 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 1 3 148 . 1 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 1 3 151 . 1 2 2 B 16 16 SER CA C 245 54.580 57.468 -2.888 1 3 152 . 1 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 1 3 153 . 1 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 1 3 154 . 1 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 1 3 155 . 1 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 1 3 160 . 1 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 1 3 161 . 1 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 1 3 164 . 1 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 1 3 165 . 1 2 2 B 18 18 ASP H H 247 8.350 8.132 0.218 1 3 166 . 1 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 1 3 169 . 1 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 1 3 170 . 1 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 1 3 171 . 1 2 2 B 18 18 ASP N N 247 115.450 119.954 -4.504 1 3 172 . 1 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 1 3 173 . 1 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 1 3 176 . 1 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 1 3 177 . 1 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 1 3 181 . 1 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 1 3 182 . 1 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 1 3 183 . 1 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 1 3 187 . 1 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 1 3 188 . 1 2 2 B 20 20 ALA CB C 249 16.780 18.133 -1.353 1 3 189 . 1 2 2 B 20 20 ALA N N 249 121.990 121.940 0.050 1 3 190 . 1 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 1 3 191 . 1 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 1 3 196 . 1 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 1 3 197 . 1 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 1 3 199 . 1 2 2 B 21 21 GLU N N 250 114.110 117.845 -3.735 1 3 200 . 1 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 1 3 201 . 1 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 1 3 210 . 1 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 1 3 211 . 1 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 1 3 215 . 1 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 1 3 216 . 1 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 1 3 217 . 1 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 1 3 227 . 1 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 1 3 228 . 1 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 1 3 232 . 1 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 1 3 233 . 1 2 2 B 24 24 LEU H H 253 8.060 7.765 0.295 1 3 234 . 1 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 1 3 244 . 1 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 1 3 245 . 1 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 1 3 249 . 1 2 2 B 24 24 LEU N N 253 118.710 118.057 0.653 1 3 250 . 1 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 1 3 251 . 1 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 1 3 261 . 1 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 1 3 262 . 1 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 1 3 266 . 1 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 1 3 267 . 1 2 2 B 26 26 ASP H H 255 8.110 7.948 0.162 1 3 268 . 1 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 1 3 271 . 1 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 1 3 272 . 1 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 1 3 273 . 1 2 2 B 26 26 ASP N N 255 117.470 119.198 -1.728 1 3 274 . 1 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 1 3 275 . 1 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 1 3 280 . 1 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 1 3 281 . 1 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 1 3 283 . 1 2 2 B 27 27 THR N N 256 112.880 114.298 -1.418 1 3 284 . 1 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 1 3 285 . 1 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 1 3 286 . 1 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 1 3 287 . 1 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 1 3 288 . 1 2 2 B 28 28 GLY N N 257 105.350 109.638 -4.288 1 3 289 . 1 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 1 3 290 . 1 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 1 3 295 . 1 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 1 3 296 . 1 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 1 3 300 . 1 2 2 B 29 29 LYS N N 258 117.190 119.033 -1.843 1 3 301 . 1 2 2 B 30 30 GLU H H 259 8.660 8.566 0.094 1 3 302 . 1 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 1 3 303 . 1 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 1 3 304 . 1 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 1 3 306 . 1 2 2 B 30 30 GLU N N 259 124.820 121.679 3.141 1 3 307 . 1 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 1 3 308 . 1 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 1 3 309 . 1 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 1 3 310 . 1 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 1 3 311 . 1 2 2 B 31 31 GLY N N 260 114.020 112.760 1.260 1 3 312 . 1 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 1 3 313 . 1 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 1 3 317 . 1 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 1 3 318 . 1 2 2 B 32 32 ALA CB C 261 16.020 19.317 -3.297 1 3 319 . 1 2 2 B 32 32 ALA N N 261 125.860 124.173 1.687 1 3 320 . 1 2 2 B 33 33 PHE H H 262 8.860 8.886 -0.026 1 3 321 . 1 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 1 3 328 . 1 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 1 3 329 . 1 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 1 3 330 . 1 2 2 B 33 33 PHE N N 262 120.070 120.465 -0.395 1 3 331 . 1 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 1 3 332 . 1 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 1 3 340 . 1 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 1 3 341 . 1 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 1 3 344 . 1 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 1 3 345 . 1 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 1 3 346 . 1 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 1 3 354 . 1 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 1 3 355 . 1 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 1 3 358 . 1 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 1 3 359 . 1 2 2 B 36 36 ARG H H 265 9.480 9.387 0.093 1 3 360 . 1 2 2 B 36 36 ARG HA H 265 5.310 4.919 0.391 1 3 366 . 1 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 1 3 367 . 1 2 2 B 36 36 ARG CB C 265 31.150 34.069 -2.919 1 3 370 . 1 2 2 B 36 36 ARG N N 265 124.140 125.189 -1.049 1 3 372 . 1 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 1 3 373 . 1 2 2 B 37 37 ASP HA H 266 4.740 4.703 0.037 1 3 376 . 1 2 2 B 37 37 ASP CA C 266 52.950 54.996 -2.046 1 3 377 . 1 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 1 3 378 . 1 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 1 3 379 . 1 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 1 3 380 . 1 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 1 3 381 . 1 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 1 3 382 . 1 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 1 3 383 . 1 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 1 3 384 . 1 2 2 B 39 39 ARG H H 268 8.880 8.672 0.208 1 3 385 . 1 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 1 3 386 . 1 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 1 3 387 . 1 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 1 3 390 . 1 2 2 B 39 39 ARG N N 268 123.100 123.766 -0.666 1 3 391 . 1 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 1 3 392 . 1 2 2 B 40 40 THR HA H 269 4.340 4.458 -0.118 1 3 397 . 1 2 2 B 40 40 THR CA C 269 57.690 61.401 -3.711 1 3 398 . 1 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 1 3 400 . 1 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 1 3 401 . 1 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 1 3 408 . 1 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 1 3 409 . 1 2 2 B 41 41 PRO CB C 270 29.500 32.006 -2.506 1 3 412 . 1 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 1 3 413 . 1 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 1 3 414 . 1 2 2 B 42 42 GLY HA3 H 271 3.530 4.129 -0.599 1 3 415 . 1 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 1 3 416 . 1 2 2 B 42 42 GLY N N 271 111.130 106.624 4.506 1 3 417 . 1 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 1 3 418 . 1 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 1 3 423 . 1 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 1 3 424 . 1 2 2 B 43 43 THR CB C 272 69.400 69.921 -0.521 1 3 426 . 1 2 2 B 43 43 THR N N 272 110.850 113.788 -2.938 1 3 427 . 1 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 1 3 428 . 1 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 1 3 434 . 1 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 1 3 435 . 1 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 1 3 438 . 1 2 2 B 44 44 TYR N N 273 122.230 127.138 -4.908 1 3 439 . 1 2 2 B 45 45 THR H H 274 9.240 9.160 0.080 1 3 440 . 1 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 1 3 445 . 1 2 2 B 45 45 THR CA C 274 59.110 61.432 -2.322 1 3 446 . 1 2 2 B 45 45 THR CB C 274 70.390 71.637 -1.247 1 3 448 . 1 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 1 3 449 . 1 2 2 B 46 46 VAL H H 275 9.370 8.634 0.736 1 3 450 . 1 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 1 3 452 . 1 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 1 3 453 . 1 2 2 B 46 46 VAL CB C 275 30.970 31.163 -0.193 1 3 455 . 1 2 2 B 46 46 VAL N N 275 126.010 128.533 -2.523 1 3 456 . 1 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 1 3 457 . 1 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 1 3 460 . 1 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 1 3 461 . 1 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 1 3 462 . 1 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 1 3 463 . 1 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 1 3 464 . 1 2 2 B 48 48 VAL HA H 277 5.380 4.758 0.622 1 3 472 . 1 2 2 B 48 48 VAL CA C 277 56.360 61.305 -4.945 1 3 473 . 1 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 1 3 476 . 1 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 1 3 477 . 1 2 2 B 49 49 PHE H H 278 8.880 9.532 -0.652 1 3 478 . 1 2 2 B 49 49 PHE HA H 278 4.970 5.297 -0.327 1 3 484 . 1 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 1 3 485 . 1 2 2 B 49 49 PHE CB C 278 39.490 42.314 -2.824 1 3 486 . 1 2 2 B 49 49 PHE N N 278 128.450 128.389 0.061 1 3 487 . 1 2 2 B 50 50 THR H H 279 8.420 8.595 -0.175 1 3 488 . 1 2 2 B 50 50 THR HA H 279 4.760 4.309 0.451 1 3 493 . 1 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 1 3 494 . 1 2 2 B 50 50 THR CB C 279 68.580 72.040 -3.460 1 3 496 . 1 2 2 B 50 50 THR N N 279 121.640 120.610 1.030 1 3 497 . 1 2 2 B 51 51 LYS H H 280 10.550 8.253 2.297 1 3 498 . 1 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 1 3 501 . 1 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 1 3 502 . 1 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 1 3 506 . 1 2 2 B 51 51 LYS N N 280 130.730 126.064 4.666 1 3 507 . 1 2 2 B 52 52 ALA H H 281 9.110 8.580 0.530 1 3 508 . 1 2 2 B 52 52 ALA HA H 281 3.590 4.630 -1.040 1 3 512 . 1 2 2 B 52 52 ALA CA C 281 50.660 50.822 -0.162 1 3 513 . 1 2 2 B 52 52 ALA CB C 281 16.940 21.973 -5.033 1 3 514 . 1 2 2 B 52 52 ALA N N 281 122.100 126.572 -4.472 1 3 515 . 1 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 1 3 516 . 1 2 2 B 53 53 ILE HA H 282 3.860 4.031 -0.171 1 3 526 . 1 2 2 B 53 53 ILE CA C 282 57.290 62.323 -5.033 1 3 527 . 1 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 1 3 531 . 1 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 1 3 532 . 1 2 2 B 54 54 ILE H H 283 8.010 8.499 -0.489 1 3 533 . 1 2 2 B 54 54 ILE HA H 283 3.970 4.062 -0.092 1 3 543 . 1 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 1 3 544 . 1 2 2 B 54 54 ILE CB C 283 35.190 38.471 -3.281 1 3 548 . 1 2 2 B 54 54 ILE N N 283 127.060 127.887 -0.827 1 3 549 . 1 2 2 B 55 55 SER H H 284 7.610 7.876 -0.266 1 3 550 . 1 2 2 B 55 55 SER HA H 284 4.180 4.284 -0.104 1 3 553 . 1 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 1 3 554 . 1 2 2 B 55 55 SER CB C 284 60.710 62.963 -2.253 1 3 555 . 1 2 2 B 55 55 SER N N 284 111.910 116.513 -4.603 1 3 556 . 1 2 2 B 56 56 GLU H H 285 7.360 7.831 -0.471 1 3 557 . 1 2 2 B 56 56 GLU HA H 285 4.110 4.768 -0.658 1 3 560 . 1 2 2 B 56 56 GLU CA C 285 52.990 55.380 -2.390 1 3 561 . 1 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 1 3 563 . 1 2 2 B 56 56 GLU N N 285 124.910 119.108 5.802 1 3 564 . 1 2 2 B 57 57 ASN H H 286 7.940 9.032 -1.092 1 3 565 . 1 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 1 3 570 . 1 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 1 3 571 . 1 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 1 3 572 . 1 2 2 B 57 57 ASN N N 286 120.980 120.230 0.750 1 3 574 . 1 2 2 B 58 58 PRO HA H 287 4.740 4.836 -0.096 1 3 579 . 1 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 1 3 580 . 1 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 1 3 583 . 1 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 1 3 584 . 1 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 1 3 587 . 1 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 1 3 588 . 1 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 1 3 589 . 1 2 2 B 59 59 CYS N N 288 112.770 119.530 -6.760 1 3 590 . 1 2 2 B 60 60 ILE H H 289 8.170 8.653 -0.483 1 3 591 . 1 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 1 3 601 . 1 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 1 3 602 . 1 2 2 B 60 60 ILE CB C 289 34.160 39.050 -4.890 1 3 606 . 1 2 2 B 60 60 ILE N N 289 121.110 125.036 -3.926 1 3 607 . 1 2 2 B 61 61 LYS H H 290 8.580 9.466 -0.886 1 3 608 . 1 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 1 3 611 . 1 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 1 3 612 . 1 2 2 B 61 61 LYS CB C 290 32.060 33.829 -1.769 1 3 616 . 1 2 2 B 61 61 LYS N N 290 125.300 127.453 -2.153 1 3 617 . 1 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 1 3 618 . 1 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 1 3 623 . 1 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 1 3 624 . 1 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 1 3 627 . 1 2 2 B 62 62 HIS N N 291 120.770 121.641 -0.871 1 3 628 . 1 2 2 B 63 63 TYR H H 292 9.740 8.768 0.972 1 3 629 . 1 2 2 B 63 63 TYR HA H 292 4.680 4.895 -0.215 1 3 634 . 1 2 2 B 63 63 TYR CA C 292 53.690 56.839 -3.149 1 3 635 . 1 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 1 3 637 . 1 2 2 B 63 63 TYR N N 292 123.110 124.330 -1.220 1 3 638 . 1 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 1 3 639 . 1 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 1 3 642 . 1 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 1 3 643 . 1 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 1 3 646 . 1 2 2 B 64 64 HIS N N 293 125.360 126.192 -0.832 1 3 647 . 1 2 2 B 65 65 ILE H H 294 8.750 8.784 -0.034 1 3 648 . 1 2 2 B 65 65 ILE HA H 294 3.930 3.948 -0.018 1 3 658 . 1 2 2 B 65 65 ILE CA C 294 60.460 62.228 -1.768 1 3 659 . 1 2 2 B 65 65 ILE CB C 294 33.240 37.696 -4.456 1 3 663 . 1 2 2 B 65 65 ILE N N 294 125.070 125.868 -0.798 1 3 664 . 1 2 2 B 66 66 LYS H H 295 8.660 8.064 0.596 1 3 665 . 1 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 1 3 670 . 1 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 1 3 671 . 1 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 1 3 675 . 1 2 2 B 66 66 LYS N N 295 131.830 127.459 4.371 1 3 676 . 1 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 1 3 677 . 1 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 1 3 680 . 1 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 1 3 681 . 1 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 1 3 683 . 1 2 2 B 67 67 GLU N N 296 115.750 124.619 -8.869 1 3 684 . 1 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 1 3 685 . 1 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 1 3 690 . 1 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 1 3 691 . 1 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 1 3 693 . 1 2 2 B 68 68 THR N N 297 113.310 122.384 -9.074 1 3 694 . 1 2 2 B 69 69 ASN H H 298 8.350 8.899 -0.549 1 3 695 . 1 2 2 B 69 69 ASN HA H 298 4.800 4.665 0.135 1 3 700 . 1 2 2 B 69 69 ASN CA C 298 49.800 53.285 -3.485 1 3 701 . 1 2 2 B 69 69 ASN CB C 298 35.410 38.369 -2.959 1 3 702 . 1 2 2 B 69 69 ASN N N 298 114.870 128.084 -13.214 1 3 704 . 1 2 2 B 70 70 ASP H H 299 7.100 8.381 -1.281 1 3 705 . 1 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 1 3 708 . 1 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 1 3 709 . 1 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 1 3 710 . 1 2 2 B 70 70 ASP N N 299 117.030 126.148 -9.118 1 3 711 . 1 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 1 3 712 . 1 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 1 3 715 . 1 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 1 3 716 . 1 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 1 3 717 . 1 2 2 B 71 71 SER N N 300 112.930 115.562 -2.632 1 3 718 . 1 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 1 3 725 . 1 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 1 3 726 . 1 2 2 B 72 72 PRO CB C 301 32.150 31.620 0.530 1 3 729 . 1 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 1 3 730 . 1 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 1 3 733 . 1 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 1 3 734 . 1 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 1 3 738 . 1 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 1 3 739 . 1 2 2 B 74 74 ARG H H 303 7.280 8.429 -1.149 1 3 740 . 1 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 1 3 746 . 1 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 1 3 747 . 1 2 2 B 74 74 ARG CB C 303 30.500 32.140 -1.640 1 3 750 . 1 2 2 B 74 74 ARG N N 303 119.550 118.722 0.828 1 3 752 . 1 2 2 B 75 75 TYR H H 304 8.800 7.580 1.220 1 3 753 . 1 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 1 3 760 . 1 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 1 3 761 . 1 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 1 3 762 . 1 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 1 3 763 . 1 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 1 3 764 . 1 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 1 3 771 . 1 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 1 3 772 . 1 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 1 3 775 . 1 2 2 B 76 76 TYR N N 305 116.200 119.599 -3.399 1 3 776 . 1 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 1 3 777 . 1 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 1 3 785 . 1 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 1 3 786 . 1 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 1 3 789 . 1 2 2 B 77 77 VAL N N 306 114.290 116.871 -2.581 1 3 790 . 1 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 1 3 791 . 1 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 1 3 795 . 1 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 1 3 796 . 1 2 2 B 78 78 ALA CB C 307 19.010 21.567 -2.557 1 3 797 . 1 2 2 B 78 78 ALA N N 307 128.280 126.877 1.403 1 3 798 . 1 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 1 3 799 . 1 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 1 3 802 . 1 2 2 B 79 79 GLU CA C 308 56.960 57.808 -0.848 1 3 803 . 1 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 1 3 805 . 1 2 2 B 79 79 GLU N N 308 121.520 114.636 6.884 1 3 806 . 1 2 2 B 80 80 LYS H H 309 7.770 8.147 -0.377 1 3 807 . 1 2 2 B 80 80 LYS HA H 309 3.550 4.008 -0.458 1 3 812 . 1 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 1 3 813 . 1 2 2 B 80 80 LYS CB C 309 29.470 32.282 -2.812 1 3 817 . 1 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 1 3 818 . 1 2 2 B 81 81 TYR H H 310 7.770 7.779 -0.009 1 3 819 . 1 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 1 3 826 . 1 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 1 3 827 . 1 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 1 3 830 . 1 2 2 B 81 81 TYR N N 310 120.440 115.355 5.085 1 3 831 . 1 2 2 B 82 82 VAL H H 311 7.200 8.376 -1.176 1 3 832 . 1 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 1 3 840 . 1 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 1 3 841 . 1 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 1 3 844 . 1 2 2 B 82 82 VAL N N 311 121.020 120.281 0.739 1 3 845 . 1 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 1 3 846 . 1 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 1 3 854 . 1 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 1 3 855 . 1 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 1 3 856 . 1 2 2 B 83 83 PHE N N 312 121.070 125.031 -3.961 1 3 857 . 1 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 1 3 858 . 1 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 1 3 861 . 1 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 1 3 862 . 1 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 1 3 863 . 1 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 1 3 864 . 1 2 2 B 85 85 SER H H 314 7.600 8.004 -0.404 1 3 865 . 1 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 1 3 868 . 1 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 1 3 869 . 1 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 1 3 870 . 1 2 2 B 85 85 SER N N 314 110.480 113.543 -3.063 1 3 871 . 1 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 1 3 872 . 1 2 2 B 86 86 ILE HA H 315 3.490 3.886 -0.396 1 3 882 . 1 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 1 3 883 . 1 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 1 3 887 . 1 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 1 3 888 . 1 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 1 3 895 . 1 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 1 3 896 . 1 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 1 3 899 . 1 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 1 3 900 . 1 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 1 3 910 . 1 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 1 3 911 . 1 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 1 3 915 . 1 2 2 B 88 88 LEU N N 317 116.370 116.534 -0.164 1 3 916 . 1 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 1 3 917 . 1 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 1 3 927 . 1 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 1 3 928 . 1 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 1 3 932 . 1 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 1 3 933 . 1 2 2 B 90 90 ILE H H 319 7.860 7.543 0.317 1 3 934 . 1 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 1 3 944 . 1 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 1 3 945 . 1 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 1 3 949 . 1 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 1 3 950 . 1 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 1 3 951 . 1 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 1 3 958 . 1 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 1 3 959 . 1 2 2 B 91 91 GLN CB C 320 26.080 28.488 -2.408 1 3 961 . 1 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 1 3 963 . 1 2 2 B 92 92 TYR H H 321 7.510 8.101 -0.591 1 3 964 . 1 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 1 3 971 . 1 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 1 3 972 . 1 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 1 3 973 . 1 2 2 B 92 92 TYR N N 321 118.690 121.712 -3.022 1 3 974 . 1 2 2 B 93 93 HIS H H 322 7.600 7.649 -0.049 1 3 975 . 1 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 1 3 981 . 1 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 1 3 982 . 1 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 1 3 985 . 1 2 2 B 93 93 HIS N N 322 116.790 117.193 -0.403 1 3 986 . 1 2 2 B 94 94 GLN H H 323 7.550 7.701 -0.151 1 3 987 . 1 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 1 3 993 . 1 2 2 B 94 94 GLN CA C 323 54.890 58.310 -3.420 1 3 994 . 1 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 1 3 996 . 1 2 2 B 94 94 GLN N N 323 119.440 119.097 0.343 1 3 998 . 1 2 2 B 95 95 TYR H H 324 6.720 7.481 -0.761 1 3 999 . 1 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 1 3 1004 . 1 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 1 3 1005 . 1 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 1 3 1008 . 1 2 2 B 95 95 TYR N N 324 114.850 117.250 -2.400 1 3 1009 . 1 2 2 B 96 96 ASN H H 325 7.520 8.967 -1.447 1 3 1010 . 1 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 1 3 1015 . 1 2 2 B 96 96 ASN CA C 325 49.420 55.163 -5.743 1 3 1016 . 1 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 1 3 1017 . 1 2 2 B 96 96 ASN N N 325 117.860 120.738 -2.878 1 3 1019 . 1 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 1 3 1020 . 1 2 2 B 97 97 GLY CA C 326 43.670 45.134 -1.464 1 3 1021 . 1 2 2 B 97 97 GLY N N 326 109.820 108.612 1.208 1 3 1022 . 1 2 2 B 98 98 GLY H H 327 8.210 8.807 -0.597 1 3 1023 . 1 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 1 3 1024 . 1 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 1 3 1025 . 1 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 1 3 1026 . 1 2 2 B 98 98 GLY N N 327 107.360 111.323 -3.963 1 3 1027 . 1 2 2 B 99 99 GLY H H 328 8.240 9.026 -0.786 1 3 1028 . 1 2 2 B 99 99 GLY HA2 H 328 4.090 3.945 0.145 1 3 1029 . 1 2 2 B 99 99 GLY HA3 H 328 3.510 3.989 -0.479 1 3 1030 . 1 2 2 B 99 99 GLY CA C 328 42.500 46.642 -4.142 1 3 1031 . 1 2 2 B 99 99 GLY N N 328 106.540 108.149 -1.609 1 3 1032 . 1 2 2 B 100 100 LEU H H 329 7.650 7.121 0.529 1 3 1033 . 1 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 1 3 1043 . 1 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 1 3 1044 . 1 2 2 B 100 100 LEU CB C 329 40.320 45.061 -4.741 1 3 1048 . 1 2 2 B 100 100 LEU N N 329 119.150 120.151 -1.001 1 3 1049 . 1 2 2 B 101 101 VAL H H 330 7.390 8.542 -1.152 1 3 1050 . 1 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 1 3 1055 . 1 2 2 B 101 101 VAL CA C 330 60.910 64.439 -3.529 1 3 1056 . 1 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 1 3 1058 . 1 2 2 B 101 101 VAL N N 330 114.690 125.339 -10.649 1 3 1059 . 1 2 2 B 102 102 THR H H 331 6.930 7.455 -0.525 1 3 1060 . 1 2 2 B 102 102 THR HA H 331 4.260 4.551 -0.291 1 3 1065 . 1 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 1 3 1066 . 1 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 1 3 1068 . 1 2 2 B 102 102 THR N N 331 112.890 107.996 4.894 1 3 1069 . 1 2 2 B 103 103 ARG H H 332 7.390 7.897 -0.507 1 3 1070 . 1 2 2 B 103 103 ARG HA H 332 3.960 3.997 -0.037 1 3 1073 . 1 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 1 3 1074 . 1 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 1 3 1077 . 1 2 2 B 103 103 ARG N N 332 120.110 118.243 1.867 1 3 1078 . 1 2 2 B 104 104 LEU H H 333 7.350 7.891 -0.541 1 3 1079 . 1 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 1 3 1089 . 1 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 1 3 1090 . 1 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 1 3 1094 . 1 2 2 B 104 104 LEU N N 333 119.490 125.040 -5.550 1 3 1095 . 1 2 2 B 105 105 ARG H H 334 8.170 8.832 -0.662 1 3 1096 . 1 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 1 3 1097 . 1 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 1 3 1098 . 1 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 1 3 1101 . 1 2 2 B 105 105 ARG N N 334 122.170 125.630 -3.460 1 3 1102 . 1 2 2 B 106 106 TYR H H 335 7.610 7.867 -0.257 1 3 1103 . 1 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 1 3 1108 . 1 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 1 3 1109 . 1 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 1 3 1110 . 1 2 2 B 106 106 TYR N N 335 118.130 118.541 -0.411 1 3 1111 . 1 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 1 3 1118 . 1 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 1 3 1119 . 1 2 2 B 107 107 PRO CB C 336 30.010 32.184 -2.174 1 3 1122 . 1 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 1 3 1123 . 1 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 1 3 1131 . 1 2 2 B 108 108 VAL CA C 337 59.350 60.353 -1.003 1 3 1132 . 1 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 1 3 1135 . 1 2 2 B 108 108 VAL N N 337 124.750 120.080 4.670 1 3 1136 . 1 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 1 3 1137 . 1 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 1 3 1140 . 1 2 2 B 109 109 CYS CA C 338 54.760 57.308 -2.548 1 3 1141 . 1 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 1 3 1142 . 1 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 1 4 4 . 1 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 1 4 5 . 1 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 1 4 6 . 1 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 1 4 7 . 1 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 1 4 12 . 1 1 1 A 3 3 PRO C C 171 174.250 176.958 -2.708 1 4 13 . 1 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 1 4 14 . 1 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 1 4 17 . 1 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 1 4 18 . 1 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 1 4 23 . 1 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 1 4 24 . 1 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 1 4 25 . 1 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 1 4 27 . 1 1 1 A 4 4 GLU N N 172 119.340 115.861 3.479 1 4 28 . 1 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 1 4 29 . 1 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 1 4 32 . 1 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 1 4 33 . 1 1 1 A 5 5 GLU CA C 173 54.170 54.761 -0.591 1 4 34 . 1 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 1 4 36 . 1 1 1 A 5 5 GLU N N 173 120.540 116.496 4.044 1 4 37 . 1 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 1 4 38 . 1 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 1 4 43 . 1 1 1 A 6 6 THR C C 174 170.120 172.506 -2.386 1 4 44 . 1 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 1 4 45 . 1 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 1 4 47 . 1 1 1 A 6 6 THR N N 174 118.970 114.961 4.009 1 4 48 . 1 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 1 4 49 . 1 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 1 4 59 . 1 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 1 4 60 . 1 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 1 4 61 . 1 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 1 4 65 . 1 1 1 A 7 7 LEU N N 175 127.150 123.771 3.379 1 4 66 . 1 1 1 A 8 8 VAL H H 176 9.210 8.934 0.276 1 4 67 . 1 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 1 4 75 . 1 1 1 A 8 8 VAL C C 176 170.850 174.626 -3.776 1 4 76 . 1 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 1 4 77 . 1 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 1 4 80 . 1 1 1 A 8 8 VAL N N 176 114.580 117.405 -2.825 1 4 81 . 1 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 1 4 82 . 1 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 1 4 92 . 1 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 1 4 93 . 1 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 1 4 94 . 1 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 1 4 98 . 1 1 1 A 9 9 ILE N N 177 120.620 121.748 -1.128 1 4 99 . 1 1 1 A 10 10 ALA H H 178 8.170 8.492 -0.322 1 4 100 . 1 1 1 A 10 10 ALA HA H 178 4.980 4.747 0.233 1 4 104 . 1 1 1 A 10 10 ALA C C 178 176.180 178.181 -2.001 1 4 105 . 1 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 1 4 106 . 1 1 1 A 10 10 ALA CB C 178 17.340 19.050 -1.710 1 4 107 . 1 1 1 A 10 10 ALA N N 178 125.400 128.303 -2.903 1 4 108 . 1 1 1 A 11 11 LEU H H 179 9.280 8.578 0.702 1 4 109 . 1 1 1 A 11 11 LEU HA H 179 3.890 3.910 -0.020 1 4 119 . 1 1 1 A 11 11 LEU C C 179 172.780 176.318 -3.538 1 4 120 . 1 1 1 A 11 11 LEU CA C 179 52.830 57.091 -4.261 1 4 121 . 1 1 1 A 11 11 LEU CB C 179 41.260 41.785 -0.525 1 4 125 . 1 1 1 A 11 11 LEU N N 179 125.950 125.563 0.387 1 4 126 . 1 1 1 A 12 12 TYR H H 180 7.050 7.706 -0.656 1 4 127 . 1 1 1 A 12 12 TYR HA H 180 4.540 4.827 -0.287 1 4 130 . 1 1 1 A 12 12 TYR C C 180 171.060 174.333 -3.273 1 4 131 . 1 1 1 A 12 12 TYR CA C 180 50.730 56.866 -6.136 1 4 132 . 1 1 1 A 12 12 TYR CB C 180 40.100 41.489 -1.389 1 4 133 . 1 1 1 A 12 12 TYR N N 180 112.080 115.131 -3.051 1 4 134 . 1 1 1 A 13 13 ASP H H 181 8.080 8.608 -0.528 1 4 135 . 1 1 1 A 13 13 ASP HA H 181 4.480 4.882 -0.402 1 4 138 . 1 1 1 A 13 13 ASP C C 181 173.220 174.583 -1.363 1 4 139 . 1 1 1 A 13 13 ASP CA C 181 51.870 52.980 -1.110 1 4 140 . 1 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 1 4 141 . 1 1 1 A 13 13 ASP N N 181 117.790 122.332 -4.542 1 4 142 . 1 1 1 A 14 14 TYR H H 182 8.630 8.775 -0.145 1 4 143 . 1 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 1 4 144 . 1 1 1 A 14 14 TYR C C 182 171.110 175.149 -4.039 1 4 145 . 1 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 1 4 146 . 1 1 1 A 14 14 TYR CB C 182 38.790 39.940 -1.150 1 4 147 . 1 1 1 A 14 14 TYR N N 182 121.410 127.856 -6.446 1 4 148 . 1 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 1 4 149 . 1 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 1 4 154 . 1 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 1 4 155 . 1 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 1 4 156 . 1 1 1 A 15 15 GLN CB C 183 26.820 32.322 -5.502 1 4 158 . 1 1 1 A 15 15 GLN N N 183 125.990 126.069 -0.079 1 4 160 . 1 1 1 A 16 16 THR H H 184 7.780 9.051 -1.271 1 4 161 . 1 1 1 A 16 16 THR HA H 184 4.240 4.579 -0.339 1 4 166 . 1 1 1 A 16 16 THR C C 184 169.150 174.428 -5.278 1 4 167 . 1 1 1 A 16 16 THR CA C 184 56.900 62.175 -5.275 1 4 168 . 1 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 1 4 170 . 1 1 1 A 16 16 THR N N 184 115.350 119.979 -4.629 1 4 171 . 1 1 1 A 17 17 ASN H H 185 8.550 9.147 -0.597 1 4 172 . 1 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 1 4 177 . 1 1 1 A 17 17 ASN C C 185 171.880 174.524 -2.644 1 4 178 . 1 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 1 4 179 . 1 1 1 A 17 17 ASN CB C 185 37.270 40.301 -3.031 1 4 180 . 1 1 1 A 17 17 ASN N N 185 122.730 120.486 2.244 1 4 182 . 1 1 1 A 18 18 ASP H H 186 8.440 7.711 0.729 1 4 183 . 1 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 1 4 186 . 1 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 1 4 187 . 1 1 1 A 18 18 ASP CB C 186 40.480 42.768 -2.288 1 4 188 . 1 1 1 A 18 18 ASP N N 186 125.820 118.036 7.784 1 4 189 . 1 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 1 4 194 . 1 1 1 A 19 19 PRO C C 187 174.890 178.825 -3.935 1 4 195 . 1 1 1 A 19 19 PRO CA C 187 61.870 65.471 -3.601 1 4 196 . 1 1 1 A 19 19 PRO CB C 187 29.790 31.679 -1.889 1 4 199 . 1 1 1 A 20 20 GLN H H 188 8.800 8.540 0.260 1 4 200 . 1 1 1 A 20 20 GLN HA H 188 4.470 4.020 0.450 1 4 205 . 1 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 1 4 206 . 1 1 1 A 20 20 GLN CA C 188 53.450 59.197 -5.747 1 4 207 . 1 1 1 A 20 20 GLN CB C 188 27.170 28.296 -1.126 1 4 209 . 1 1 1 A 20 20 GLN N N 188 115.800 117.172 -1.372 1 4 211 . 1 1 1 A 21 21 GLU H H 189 7.890 7.830 0.060 1 4 212 . 1 1 1 A 21 21 GLU HA H 189 5.340 4.618 0.722 1 4 215 . 1 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 1 4 216 . 1 1 1 A 21 21 GLU CA C 189 52.400 57.208 -4.808 1 4 217 . 1 1 1 A 21 21 GLU CB C 189 31.190 30.290 0.900 1 4 219 . 1 1 1 A 21 21 GLU N N 189 120.420 118.174 2.246 1 4 220 . 1 1 1 A 22 22 LEU H H 190 8.050 8.626 -0.576 1 4 221 . 1 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 1 4 231 . 1 1 1 A 22 22 LEU C C 190 170.880 176.657 -5.777 1 4 232 . 1 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 1 4 233 . 1 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 1 4 237 . 1 1 1 A 22 22 LEU N N 190 122.970 124.700 -1.730 1 4 238 . 1 1 1 A 23 23 ALA H H 191 7.780 8.616 -0.836 1 4 239 . 1 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 1 4 243 . 1 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 1 4 244 . 1 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 1 4 245 . 1 1 1 A 23 23 ALA CB C 191 16.330 19.217 -2.887 1 4 246 . 1 1 1 A 23 23 ALA N N 191 124.710 128.088 -3.378 1 4 247 . 1 1 1 A 24 24 LEU H H 192 8.540 8.944 -0.404 1 4 248 . 1 1 1 A 24 24 LEU HA H 192 4.930 5.401 -0.471 1 4 258 . 1 1 1 A 24 24 LEU C C 192 175.040 175.714 -0.674 1 4 259 . 1 1 1 A 24 24 LEU CA C 192 50.000 53.379 -3.379 1 4 260 . 1 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 1 4 264 . 1 1 1 A 24 24 LEU N N 192 117.070 121.079 -4.009 1 4 265 . 1 1 1 A 25 25 ARG H H 193 8.230 8.848 -0.618 1 4 266 . 1 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 1 4 271 . 1 1 1 A 25 25 ARG C C 193 171.470 174.174 -2.704 1 4 272 . 1 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 1 4 273 . 1 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 1 4 276 . 1 1 1 A 25 25 ARG N N 193 123.480 120.228 3.252 1 4 278 . 1 1 1 A 26 26 CYS H H 194 8.850 8.520 0.330 1 4 279 . 1 1 1 A 26 26 CYS HA H 194 3.260 4.532 -1.272 1 4 280 . 1 1 1 A 26 26 CYS C C 194 172.080 175.291 -3.211 1 4 281 . 1 1 1 A 26 26 CYS CA C 194 58.800 59.411 -0.611 1 4 282 . 1 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 1 4 283 . 1 1 1 A 26 26 CYS N N 194 122.990 123.155 -0.165 1 4 284 . 1 1 1 A 27 27 ASP H H 195 8.890 8.957 -0.067 1 4 285 . 1 1 1 A 27 27 ASP HA H 195 4.140 4.172 -0.032 1 4 288 . 1 1 1 A 27 27 ASP C C 195 172.460 174.137 -1.677 1 4 289 . 1 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 1 4 290 . 1 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 1 4 291 . 1 1 1 A 27 27 ASP N N 195 120.590 120.570 0.020 1 4 292 . 1 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 1 4 293 . 1 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 1 4 294 . 1 1 1 A 28 28 GLU C C 196 170.880 175.096 -4.216 1 4 295 . 1 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 1 4 296 . 1 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 1 4 298 . 1 1 1 A 28 28 GLU N N 196 122.550 118.800 3.750 1 4 299 . 1 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 1 4 300 . 1 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 1 4 303 . 1 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 1 4 304 . 1 1 1 A 29 29 GLU CA C 197 51.660 54.328 -2.668 1 4 305 . 1 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 1 4 307 . 1 1 1 A 29 29 GLU N N 197 119.290 124.479 -5.189 1 4 308 . 1 1 1 A 30 30 TYR H H 198 9.100 8.857 0.243 1 4 309 . 1 1 1 A 30 30 TYR HA H 198 4.400 5.147 -0.747 1 4 312 . 1 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 1 4 313 . 1 1 1 A 30 30 TYR CA C 198 53.850 56.456 -2.606 1 4 314 . 1 1 1 A 30 30 TYR CB C 198 39.430 43.581 -4.151 1 4 315 . 1 1 1 A 30 30 TYR N N 198 119.140 119.072 0.068 1 4 316 . 1 1 1 A 31 31 TYR H H 199 9.210 8.759 0.451 1 4 317 . 1 1 1 A 31 31 TYR HA H 199 4.820 5.363 -0.543 1 4 320 . 1 1 1 A 31 31 TYR C C 199 173.490 174.751 -1.261 1 4 321 . 1 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 1 4 322 . 1 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 1 4 323 . 1 1 1 A 31 31 TYR N N 199 119.550 118.572 0.978 1 4 324 . 1 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 1 4 325 . 1 1 1 A 32 32 LEU HA H 200 4.320 5.210 -0.890 1 4 335 . 1 1 1 A 32 32 LEU C C 200 172.580 175.669 -3.089 1 4 336 . 1 1 1 A 32 32 LEU CA C 200 52.210 53.650 -1.440 1 4 337 . 1 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 1 4 341 . 1 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 1 4 342 . 1 1 1 A 33 33 LEU H H 201 8.780 8.767 0.013 1 4 343 . 1 1 1 A 33 33 LEU HA H 201 4.380 4.631 -0.251 1 4 353 . 1 1 1 A 33 33 LEU C C 201 174.860 176.979 -2.119 1 4 354 . 1 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 1 4 355 . 1 1 1 A 33 33 LEU CB C 201 39.770 43.724 -3.954 1 4 359 . 1 1 1 A 33 33 LEU N N 201 127.460 126.843 0.617 1 4 360 . 1 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 1 4 361 . 1 1 1 A 34 34 ASP HA H 202 4.670 4.910 -0.240 1 4 362 . 1 1 1 A 34 34 ASP C C 202 172.400 175.953 -3.553 1 4 363 . 1 1 1 A 34 34 ASP CA C 202 52.100 53.153 -1.053 1 4 364 . 1 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 1 4 365 . 1 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 1 4 366 . 1 1 1 A 35 35 SER H H 203 9.020 8.865 0.155 1 4 367 . 1 1 1 A 35 35 SER HA H 203 4.260 3.979 0.281 1 4 370 . 1 1 1 A 35 35 SER C C 203 171.380 176.494 -5.114 1 4 371 . 1 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 1 4 372 . 1 1 1 A 35 35 SER CB C 203 59.710 62.943 -3.233 1 4 373 . 1 1 1 A 35 35 SER N N 203 123.910 121.633 2.277 1 4 374 . 1 1 1 A 36 36 SER H H 204 8.530 7.437 1.093 1 4 375 . 1 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 1 4 378 . 1 1 1 A 36 36 SER C C 204 172.840 175.246 -2.406 1 4 379 . 1 1 1 A 36 36 SER CA C 204 59.360 61.489 -2.129 1 4 380 . 1 1 1 A 36 36 SER CB C 204 60.710 62.510 -1.800 1 4 381 . 1 1 1 A 36 36 SER N N 204 118.780 113.962 4.818 1 4 382 . 1 1 1 A 37 37 GLU H H 205 8.820 7.769 1.051 1 4 383 . 1 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 1 4 386 . 1 1 1 A 37 37 GLU C C 205 173.900 176.296 -2.396 1 4 387 . 1 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 1 4 388 . 1 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 1 4 390 . 1 1 1 A 37 37 GLU N N 205 122.890 121.799 1.091 1 4 391 . 1 1 1 A 38 38 ILE H H 206 8.150 8.124 0.026 1 4 392 . 1 1 1 A 38 38 ILE HA H 206 3.760 3.933 -0.173 1 4 402 . 1 1 1 A 38 38 ILE C C 206 176.060 177.509 -1.449 1 4 403 . 1 1 1 A 38 38 ILE CA C 206 62.050 63.405 -1.355 1 4 404 . 1 1 1 A 38 38 ILE CB C 206 35.420 37.557 -2.137 1 4 408 . 1 1 1 A 38 38 ILE N N 206 116.810 123.195 -6.385 1 4 409 . 1 1 1 A 39 39 HIS H H 207 8.440 6.705 1.735 1 4 410 . 1 1 1 A 39 39 HIS HA H 207 4.150 4.129 0.021 1 4 416 . 1 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 1 4 417 . 1 1 1 A 39 39 HIS CA C 207 55.690 58.120 -2.430 1 4 418 . 1 1 1 A 39 39 HIS CB C 207 29.140 29.407 -0.267 1 4 421 . 1 1 1 A 39 39 HIS N N 207 116.600 118.204 -1.604 1 4 422 . 1 1 1 A 40 40 TRP H H 208 7.100 8.415 -1.315 1 4 423 . 1 1 1 A 40 40 TRP HA H 208 4.810 5.084 -0.274 1 4 432 . 1 1 1 A 40 40 TRP C C 208 171.200 175.152 -3.952 1 4 433 . 1 1 1 A 40 40 TRP CA C 208 53.660 55.460 -1.800 1 4 434 . 1 1 1 A 40 40 TRP CB C 208 29.830 32.197 -2.367 1 4 440 . 1 1 1 A 40 40 TRP N N 208 119.390 117.248 2.142 1 4 442 . 1 1 1 A 41 41 TRP H H 209 9.270 8.738 0.532 1 4 443 . 1 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 1 4 452 . 1 1 1 A 41 41 TRP C C 209 172.020 176.077 -4.057 1 4 453 . 1 1 1 A 41 41 TRP CA C 209 50.600 55.725 -5.125 1 4 454 . 1 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 1 4 460 . 1 1 1 A 41 41 TRP N N 209 123.790 122.698 1.092 1 4 462 . 1 1 1 A 42 42 ARG H H 210 8.800 8.912 -0.112 1 4 463 . 1 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 1 4 468 . 1 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 1 4 469 . 1 1 1 A 42 42 ARG CA C 210 53.180 57.315 -4.135 1 4 470 . 1 1 1 A 42 42 ARG CB C 210 29.280 31.059 -1.779 1 4 473 . 1 1 1 A 42 42 ARG N N 210 123.290 125.391 -2.101 1 4 475 . 1 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 1 4 476 . 1 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 1 4 484 . 1 1 1 A 43 43 VAL C C 211 170.440 173.631 -3.191 1 4 485 . 1 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 1 4 486 . 1 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 1 4 489 . 1 1 1 A 43 43 VAL N N 211 121.460 118.623 2.837 1 4 490 . 1 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 1 4 491 . 1 1 1 A 44 44 GLN HA H 212 5.620 5.055 0.565 1 4 498 . 1 1 1 A 44 44 GLN C C 212 172.900 174.839 -1.939 1 4 499 . 1 1 1 A 44 44 GLN CA C 212 50.830 54.326 -3.496 1 4 500 . 1 1 1 A 44 44 GLN CB C 212 32.450 31.917 0.533 1 4 502 . 1 1 1 A 44 44 GLN N N 212 119.220 121.842 -2.622 1 4 504 . 1 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 1 4 505 . 1 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 1 4 508 . 1 1 1 A 45 45 ASP C C 213 175.510 177.600 -2.090 1 4 509 . 1 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 1 4 510 . 1 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 1 4 511 . 1 1 1 A 45 45 ASP N N 213 125.570 128.049 -2.479 1 4 512 . 1 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 1 4 513 . 1 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 1 4 516 . 1 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 1 4 517 . 1 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 1 4 518 . 1 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 1 4 522 . 1 1 1 A 46 46 LYS N N 214 117.280 125.853 -8.573 1 4 523 . 1 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 1 4 524 . 1 1 1 A 47 47 ASN HA H 215 4.800 4.667 0.133 1 4 529 . 1 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 1 4 530 . 1 1 1 A 47 47 ASN CA C 215 50.400 53.894 -3.494 1 4 531 . 1 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 1 4 532 . 1 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 1 4 534 . 1 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 1 4 535 . 1 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 1 4 536 . 1 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 1 4 537 . 1 1 1 A 48 48 GLY C C 216 171.670 174.563 -2.893 1 4 538 . 1 1 1 A 48 48 GLY CA C 216 42.750 45.507 -2.757 1 4 539 . 1 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 1 4 540 . 1 1 1 A 49 49 HIS H H 217 8.490 7.992 0.498 1 4 541 . 1 1 1 A 49 49 HIS HA H 217 4.590 4.565 0.025 1 4 547 . 1 1 1 A 49 49 HIS C C 217 171.140 173.859 -2.719 1 4 548 . 1 1 1 A 49 49 HIS CA C 217 53.480 55.543 -2.063 1 4 549 . 1 1 1 A 49 49 HIS CB C 217 26.840 29.727 -2.887 1 4 552 . 1 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 1 4 553 . 1 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 1 4 554 . 1 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 1 4 557 . 1 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 1 4 558 . 1 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 1 4 559 . 1 1 1 A 50 50 GLU CB C 218 32.050 32.020 0.030 1 4 561 . 1 1 1 A 50 50 GLU N N 218 120.320 122.467 -2.147 1 4 562 . 1 1 1 A 51 51 GLY H H 219 8.500 8.399 0.101 1 4 563 . 1 1 1 A 51 51 GLY HA2 H 219 3.810 4.006 -0.196 1 4 564 . 1 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 1 4 565 . 1 1 1 A 51 51 GLY C C 219 167.980 171.163 -3.183 1 4 566 . 1 1 1 A 51 51 GLY CA C 219 42.690 45.540 -2.850 1 4 567 . 1 1 1 A 51 51 GLY N N 219 106.290 108.578 -2.288 1 4 568 . 1 1 1 A 52 52 TYR H H 220 8.820 8.486 0.334 1 4 569 . 1 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 1 4 572 . 1 1 1 A 52 52 TYR C C 220 172.610 176.230 -3.620 1 4 573 . 1 1 1 A 52 52 TYR CA C 220 56.520 58.735 -2.215 1 4 574 . 1 1 1 A 52 52 TYR CB C 220 38.570 39.521 -0.951 1 4 575 . 1 1 1 A 52 52 TYR N N 220 118.140 119.720 -1.580 1 4 576 . 1 1 1 A 53 53 ALA H H 221 9.360 9.041 0.319 1 4 577 . 1 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 1 4 581 . 1 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 1 4 582 . 1 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 1 4 583 . 1 1 1 A 53 53 ALA N N 221 122.380 126.259 -3.879 1 4 584 . 1 1 1 A 54 54 PRO HA H 222 3.360 3.756 -0.396 1 4 591 . 1 1 1 A 54 54 PRO C C 222 175.570 176.146 -0.576 1 4 592 . 1 1 1 A 54 54 PRO CA C 222 58.950 62.377 -3.427 1 4 593 . 1 1 1 A 54 54 PRO CB C 222 28.140 32.727 -4.587 1 4 596 . 1 1 1 A 55 55 SER H H 223 7.520 8.256 -0.736 1 4 597 . 1 1 1 A 55 55 SER HA H 223 2.610 3.373 -0.763 1 4 600 . 1 1 1 A 55 55 SER C C 223 173.660 176.072 -2.412 1 4 601 . 1 1 1 A 55 55 SER CA C 223 57.510 59.959 -2.449 1 4 602 . 1 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 1 4 603 . 1 1 1 A 55 55 SER N N 223 121.830 117.434 4.396 1 4 604 . 1 1 1 A 56 56 SER H H 224 8.110 7.693 0.417 1 4 605 . 1 1 1 A 56 56 SER HA H 224 3.990 4.063 -0.073 1 4 608 . 1 1 1 A 56 56 SER C C 224 172.670 175.737 -3.067 1 4 609 . 1 1 1 A 56 56 SER CA C 224 57.610 62.130 -4.520 1 4 610 . 1 1 1 A 56 56 SER CB C 224 60.270 63.030 -2.760 1 4 611 . 1 1 1 A 56 56 SER N N 224 115.290 116.511 -1.221 1 4 612 . 1 1 1 A 57 57 TYR H H 225 7.400 7.427 -0.027 1 4 613 . 1 1 1 A 57 57 TYR HA H 225 4.440 4.524 -0.084 1 4 616 . 1 1 1 A 57 57 TYR C C 225 171.350 175.197 -3.847 1 4 617 . 1 1 1 A 57 57 TYR CA C 225 55.160 60.093 -4.933 1 4 618 . 1 1 1 A 57 57 TYR CB C 225 35.600 38.667 -3.067 1 4 619 . 1 1 1 A 57 57 TYR N N 225 121.550 118.662 2.888 1 4 620 . 1 1 1 A 58 58 LEU H H 226 7.330 7.613 -0.283 1 4 621 . 1 1 1 A 58 58 LEU HA H 226 5.240 5.131 0.109 1 4 631 . 1 1 1 A 58 58 LEU C C 226 172.260 175.831 -3.571 1 4 632 . 1 1 1 A 58 58 LEU CA C 226 51.250 53.637 -2.387 1 4 633 . 1 1 1 A 58 58 LEU CB C 226 44.760 44.846 -0.086 1 4 637 . 1 1 1 A 58 58 LEU N N 226 120.810 120.486 0.324 1 4 638 . 1 1 1 A 59 59 VAL H H 227 8.500 8.924 -0.424 1 4 639 . 1 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 1 4 647 . 1 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 1 4 648 . 1 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 1 4 649 . 1 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 1 4 652 . 1 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 1 4 653 . 1 1 1 A 60 60 GLU H H 228 8.910 8.618 0.292 1 4 654 . 1 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 1 4 657 . 1 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 1 4 658 . 1 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 1 4 659 . 1 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 1 4 661 . 1 1 1 A 60 60 GLU N N 228 124.940 124.518 0.422 1 4 662 . 1 1 1 A 61 61 LYS H H 229 8.310 9.416 -1.106 1 4 663 . 1 1 1 A 61 61 LYS HA H 229 4.070 3.813 0.257 1 4 670 . 1 1 1 A 61 61 LYS C C 229 173.400 176.319 -2.919 1 4 671 . 1 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 1 4 672 . 1 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 1 4 676 . 1 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 1 4 677 . 1 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 1 4 678 . 1 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 1 4 681 . 1 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 1 4 682 . 1 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 1 4 683 . 1 1 1 A 62 62 SER N N 230 121.050 114.265 6.785 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 2 "RMS(OBS, PRED)" C 98 3.321 1 2 1 1 2 "RMS(OBS, PRED)" CA 106 3.204 1 3 1 1 2 "RMS(OBS, PRED)" CB 100 2.874 1 4 1 1 2 "RMS(OBS, PRED)" H 100 0.688 1 5 1 1 2 "RMS(OBS, PRED)" HA 110 0.406 1 6 1 1 2 "RMS(OBS, PRED)" N 100 4.150 1 7 2 1 1 "RMS(OBS, PRED)" C 57 3.067 1 8 2 1 1 "RMS(OBS, PRED)" CA 61 3.497 1 9 2 1 1 "RMS(OBS, PRED)" CB 59 3.048 1 10 2 1 1 "RMS(OBS, PRED)" H 57 0.596 1 11 2 1 1 "RMS(OBS, PRED)" HA 63 0.416 1 12 2 1 1 "RMS(OBS, PRED)" N 57 3.460 1 13 3 1 2 "RMS(OBS, PRED)" C 0 0.000 1 14 3 1 2 "RMS(OBS, PRED)" CA 106 3.215 1 15 3 1 2 "RMS(OBS, PRED)" CB 100 2.883 1 16 3 1 2 "RMS(OBS, PRED)" H 100 0.696 1 17 3 1 2 "RMS(OBS, PRED)" HA 110 0.410 1 18 3 1 2 "RMS(OBS, PRED)" N 100 4.172 1 19 4 1 1 "RMS(OBS, PRED)" C 57 3.102 1 20 4 1 1 "RMS(OBS, PRED)" CA 61 3.484 1 21 4 1 1 "RMS(OBS, PRED)" CB 59 3.040 1 22 4 1 1 "RMS(OBS, PRED)" H 57 0.600 1 23 4 1 1 "RMS(OBS, PRED)" HA 63 0.418 1 24 4 1 1 "RMS(OBS, PRED)" N 57 3.451 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 13 . 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 2 1 18 . 2 2 B 4 4 ASN C C 233 173.640 175.109 -1.469 2 1 19 . 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 2 1 20 . 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 2 1 22 . 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 2 1 23 . 2 2 B 5 5 LEU HA H 234 3.890 4.081 -0.191 2 1 33 . 2 2 B 5 5 LEU C C 234 174.320 177.844 -3.524 2 1 34 . 2 2 B 5 5 LEU CA C 234 53.910 54.671 -0.761 2 1 35 . 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 2 1 39 . 2 2 B 5 5 LEU N N 234 122.090 125.229 -3.139 2 1 40 . 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 2 1 41 . 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 2 1 44 . 2 2 B 6 6 GLU C C 235 174.420 178.681 -4.261 2 1 45 . 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 2 1 46 . 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 2 1 48 . 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 2 1 49 . 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 2 1 50 . 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 2 1 55 . 2 2 B 7 7 THR C C 236 171.230 174.637 -3.407 2 1 56 . 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 2 1 57 . 2 2 B 7 7 THR CB C 236 66.570 67.892 -1.322 2 1 59 . 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 2 1 60 . 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 2 1 61 . 2 2 B 8 8 TYR HA H 237 3.960 4.436 -0.476 2 1 68 . 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 2 1 69 . 2 2 B 8 8 TYR CB C 237 35.130 38.888 -3.758 2 1 71 . 2 2 B 8 8 TYR N N 237 120.710 121.572 -0.862 2 1 72 . 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 2 1 73 . 2 2 B 9 9 GLU HA H 238 3.870 4.175 -0.305 2 1 76 . 2 2 B 9 9 GLU C C 238 172.110 178.865 -6.755 2 1 77 . 2 2 B 9 9 GLU CA C 238 55.760 58.852 -3.092 2 1 78 . 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 2 1 80 . 2 2 B 9 9 GLU N N 238 122.620 119.607 3.013 2 1 81 . 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 2 1 82 . 2 2 B 10 10 TRP HA H 239 4.200 4.516 -0.316 2 1 91 . 2 2 B 10 10 TRP C C 239 173.790 176.340 -2.550 2 1 92 . 2 2 B 10 10 TRP CA C 239 50.570 60.007 -9.437 2 1 93 . 2 2 B 10 10 TRP CB C 239 27.270 28.409 -1.139 2 1 99 . 2 2 B 10 10 TRP N N 239 107.810 118.881 -11.071 2 1 101 . 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 2 1 102 . 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 2 1 109 . 2 2 B 11 11 TYR C C 240 171.740 174.725 -2.985 2 1 110 . 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 2 1 111 . 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 2 1 113 . 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 2 1 114 . 2 2 B 12 12 ASN H H 241 8.590 8.150 0.440 2 1 115 . 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 2 1 120 . 2 2 B 12 12 ASN C C 241 169.840 174.414 -4.574 2 1 121 . 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 2 1 122 . 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 2 1 123 . 2 2 B 12 12 ASN N N 241 128.140 126.220 1.920 2 1 125 . 2 2 B 13 13 LYS H H 242 7.410 8.583 -1.173 2 1 126 . 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 2 1 129 . 2 2 B 13 13 LYS C C 242 173.820 178.579 -4.759 2 1 130 . 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 2 1 131 . 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 2 1 135 . 2 2 B 13 13 LYS N N 242 121.870 123.697 -1.827 2 1 136 . 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 2 1 137 . 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 2 1 140 . 2 2 B 14 14 SER C C 243 171.390 174.421 -3.031 2 1 141 . 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 2 1 142 . 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 2 1 143 . 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 2 1 144 . 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 2 1 145 . 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 2 1 155 . 2 2 B 15 15 ILE C C 244 171.830 174.803 -2.973 2 1 156 . 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 2 1 157 . 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 2 1 161 . 2 2 B 15 15 ILE N N 244 119.980 122.243 -2.263 2 1 162 . 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 2 1 163 . 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 2 1 166 . 2 2 B 16 16 SER C C 245 171.580 175.785 -4.205 2 1 167 . 2 2 B 16 16 SER CA C 245 54.550 57.468 -2.918 2 1 168 . 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 2 1 169 . 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 2 1 170 . 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 2 1 171 . 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 2 1 176 . 2 2 B 17 17 ARG C C 246 174.680 178.005 -3.325 2 1 177 . 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 2 1 178 . 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 2 1 181 . 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 2 1 182 . 2 2 B 18 18 ASP H H 247 8.340 8.132 0.208 2 1 183 . 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 2 1 186 . 2 2 B 18 18 ASP C C 247 176.060 179.207 -3.147 2 1 187 . 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 2 1 188 . 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 2 1 189 . 2 2 B 18 18 ASP N N 247 115.490 119.954 -4.464 2 1 190 . 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 2 1 191 . 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 2 1 194 . 2 2 B 19 19 LYS C C 248 175.700 179.421 -3.721 2 1 195 . 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 2 1 196 . 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 2 1 200 . 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 2 1 201 . 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 2 1 202 . 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 2 1 206 . 2 2 B 20 20 ALA C C 249 176.650 179.983 -3.333 2 1 207 . 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 2 1 208 . 2 2 B 20 20 ALA CB C 249 16.810 18.133 -1.323 2 1 209 . 2 2 B 20 20 ALA N N 249 121.970 121.940 0.030 2 1 210 . 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 2 1 211 . 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 2 1 216 . 2 2 B 21 21 GLU C C 250 174.890 179.115 -4.225 2 1 217 . 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 2 1 218 . 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 2 1 220 . 2 2 B 21 21 GLU N N 250 114.160 117.845 -3.685 2 1 221 . 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 2 1 222 . 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 2 1 231 . 2 2 B 22 22 LYS C C 251 175.360 178.522 -3.162 2 1 232 . 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 2 1 233 . 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 2 1 237 . 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 2 1 238 . 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 2 1 239 . 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 2 1 249 . 2 2 B 23 23 LEU C C 252 177.950 178.263 -0.313 2 1 250 . 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 2 1 251 . 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 2 1 255 . 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 2 1 256 . 2 2 B 24 24 LEU H H 253 8.050 7.765 0.285 2 1 257 . 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 2 1 267 . 2 2 B 24 24 LEU C C 253 176.660 178.929 -2.269 2 1 268 . 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 2 1 269 . 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 2 1 273 . 2 2 B 24 24 LEU N N 253 118.620 118.057 0.563 2 1 274 . 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 2 1 275 . 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 2 1 285 . 2 2 B 25 25 LEU C C 254 177.120 178.020 -0.900 2 1 286 . 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 2 1 287 . 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 2 1 291 . 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 2 1 292 . 2 2 B 26 26 ASP H H 255 8.100 7.948 0.152 2 1 293 . 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 2 1 296 . 2 2 B 26 26 ASP C C 255 175.530 178.756 -3.226 2 1 297 . 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 2 1 298 . 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 2 1 299 . 2 2 B 26 26 ASP N N 255 117.450 119.198 -1.748 2 1 300 . 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 2 1 301 . 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 2 1 306 . 2 2 B 27 27 THR C C 256 173.980 175.490 -1.510 2 1 307 . 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 2 1 308 . 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 2 1 310 . 2 2 B 27 27 THR N N 256 112.810 114.298 -1.488 2 1 311 . 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 2 1 312 . 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 2 1 313 . 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 2 1 314 . 2 2 B 28 28 GLY C C 257 170.200 174.086 -3.886 2 1 315 . 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 2 1 316 . 2 2 B 28 28 GLY N N 257 105.330 109.638 -4.308 2 1 317 . 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 2 1 318 . 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 2 1 323 . 2 2 B 29 29 LYS C C 258 171.230 174.784 -3.554 2 1 324 . 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 2 1 325 . 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 2 1 329 . 2 2 B 29 29 LYS N N 258 117.140 119.033 -1.893 2 1 330 . 2 2 B 30 30 GLU H H 259 8.670 8.566 0.104 2 1 331 . 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 2 1 332 . 2 2 B 30 30 GLU C C 259 174.320 177.085 -2.765 2 1 333 . 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 2 1 334 . 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 2 1 336 . 2 2 B 30 30 GLU N N 259 124.800 121.679 3.121 2 1 337 . 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 2 1 338 . 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 2 1 339 . 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 2 1 340 . 2 2 B 31 31 GLY C C 260 173.320 174.522 -1.202 2 1 341 . 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 2 1 342 . 2 2 B 31 31 GLY N N 260 114.210 112.760 1.450 2 1 343 . 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 2 1 344 . 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 2 1 348 . 2 2 B 32 32 ALA C C 261 174.140 177.440 -3.300 2 1 349 . 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 2 1 350 . 2 2 B 32 32 ALA CB C 261 16.040 19.317 -3.277 2 1 351 . 2 2 B 32 32 ALA N N 261 126.000 124.173 1.827 2 1 352 . 2 2 B 33 33 PHE H H 262 8.880 8.886 -0.006 2 1 353 . 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 2 1 360 . 2 2 B 33 33 PHE C C 262 168.980 173.402 -4.422 2 1 361 . 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 2 1 362 . 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 2 1 363 . 2 2 B 33 33 PHE N N 262 120.080 120.465 -0.385 2 1 364 . 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 2 1 365 . 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 2 1 373 . 2 2 B 34 34 MET C C 263 171.230 174.140 -2.910 2 1 374 . 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 2 1 375 . 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 2 1 378 . 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 2 1 379 . 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 2 1 380 . 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 2 1 388 . 2 2 B 35 35 VAL C C 264 170.560 174.553 -3.993 2 1 389 . 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 2 1 390 . 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 2 1 393 . 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 2 1 394 . 2 2 B 36 36 ARG H H 265 9.470 9.387 0.083 2 1 395 . 2 2 B 36 36 ARG HA H 265 5.290 4.919 0.371 2 1 401 . 2 2 B 36 36 ARG C C 265 171.590 174.605 -3.015 2 1 402 . 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 2 1 403 . 2 2 B 36 36 ARG CB C 265 31.080 34.069 -2.989 2 1 406 . 2 2 B 36 36 ARG N N 265 124.120 125.189 -1.069 2 1 408 . 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 2 1 409 . 2 2 B 37 37 ASP HA H 266 4.800 4.703 0.097 2 1 412 . 2 2 B 37 37 ASP CA C 266 52.930 54.996 -2.066 2 1 413 . 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 2 1 414 . 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 2 1 415 . 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 2 1 416 . 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 2 1 417 . 2 2 B 38 38 SER C C 267 172.270 175.010 -2.740 2 1 418 . 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 2 1 419 . 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 2 1 420 . 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 2 1 421 . 2 2 B 39 39 ARG H H 268 8.890 8.672 0.218 2 1 422 . 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 2 1 423 . 2 2 B 39 39 ARG C C 268 175.360 177.669 -2.309 2 1 424 . 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 2 1 425 . 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 2 1 428 . 2 2 B 39 39 ARG N N 268 123.150 123.766 -0.616 2 1 429 . 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 2 1 430 . 2 2 B 40 40 THR HA H 269 4.350 4.458 -0.108 2 1 435 . 2 2 B 40 40 THR CA C 269 57.740 61.401 -3.661 2 1 436 . 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 2 1 438 . 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 2 1 439 . 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 2 1 446 . 2 2 B 41 41 PRO C C 270 174.840 177.159 -2.319 2 1 447 . 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 2 1 448 . 2 2 B 41 41 PRO CB C 270 29.490 32.006 -2.516 2 1 451 . 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 2 1 452 . 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 2 1 453 . 2 2 B 42 42 GLY HA3 H 271 3.510 4.129 -0.619 2 1 454 . 2 2 B 42 42 GLY C C 271 170.880 173.421 -2.541 2 1 455 . 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 2 1 456 . 2 2 B 42 42 GLY N N 271 111.140 106.624 4.516 2 1 457 . 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 2 1 458 . 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 2 1 463 . 2 2 B 43 43 THR C C 272 171.060 172.952 -1.892 2 1 464 . 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 2 1 465 . 2 2 B 43 43 THR CB C 272 69.370 69.921 -0.551 2 1 467 . 2 2 B 43 43 THR N N 272 110.830 113.788 -2.958 2 1 468 . 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 2 1 469 . 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 2 1 475 . 2 2 B 44 44 TYR C C 273 171.630 175.269 -3.639 2 1 476 . 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 2 1 477 . 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 2 1 480 . 2 2 B 44 44 TYR N N 273 122.220 127.138 -4.918 2 1 481 . 2 2 B 45 45 THR H H 274 9.230 9.160 0.070 2 1 482 . 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 2 1 487 . 2 2 B 45 45 THR C C 274 170.380 173.249 -2.869 2 1 488 . 2 2 B 45 45 THR CA C 274 59.190 61.432 -2.242 2 1 489 . 2 2 B 45 45 THR CB C 274 70.380 71.637 -1.257 2 1 491 . 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 2 1 492 . 2 2 B 46 46 VAL H H 275 9.360 8.634 0.726 2 1 493 . 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 2 1 495 . 2 2 B 46 46 VAL C C 275 171.920 175.350 -3.430 2 1 496 . 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 2 1 497 . 2 2 B 46 46 VAL CB C 275 30.940 31.163 -0.223 2 1 499 . 2 2 B 46 46 VAL N N 275 125.990 128.533 -2.543 2 1 500 . 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 2 1 501 . 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 2 1 504 . 2 2 B 47 47 SER C C 276 169.850 173.975 -4.125 2 1 505 . 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 2 1 506 . 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 2 1 507 . 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 2 1 508 . 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 2 1 509 . 2 2 B 48 48 VAL HA H 277 5.390 4.758 0.632 2 1 517 . 2 2 B 48 48 VAL C C 277 168.830 174.580 -5.750 2 1 518 . 2 2 B 48 48 VAL CA C 277 56.470 61.305 -4.835 2 1 519 . 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 2 1 522 . 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 2 1 523 . 2 2 B 49 49 PHE H H 278 8.910 9.532 -0.622 2 1 524 . 2 2 B 49 49 PHE HA H 278 4.930 5.297 -0.367 2 1 530 . 2 2 B 49 49 PHE C C 278 171.320 174.430 -3.110 2 1 531 . 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 2 1 532 . 2 2 B 49 49 PHE CB C 278 39.440 42.314 -2.874 2 1 533 . 2 2 B 49 49 PHE N N 278 128.410 128.389 0.021 2 1 534 . 2 2 B 50 50 THR H H 279 8.400 8.595 -0.195 2 1 535 . 2 2 B 50 50 THR HA H 279 4.740 4.309 0.431 2 1 540 . 2 2 B 50 50 THR C C 279 173.230 172.970 0.260 2 1 541 . 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 2 1 542 . 2 2 B 50 50 THR CB C 279 68.460 72.040 -3.580 2 1 544 . 2 2 B 50 50 THR N N 279 121.700 120.610 1.090 2 1 545 . 2 2 B 51 51 LYS H H 280 10.380 8.253 2.127 2 1 546 . 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 2 1 549 . 2 2 B 51 51 LYS C C 280 171.580 176.160 -4.580 2 1 550 . 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 2 1 551 . 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 2 1 555 . 2 2 B 51 51 LYS N N 280 130.550 126.064 4.486 2 1 556 . 2 2 B 52 52 ALA H H 281 9.020 8.580 0.440 2 1 557 . 2 2 B 52 52 ALA HA H 281 3.750 4.630 -0.880 2 1 561 . 2 2 B 52 52 ALA C C 281 171.580 176.105 -4.525 2 1 562 . 2 2 B 52 52 ALA CA C 281 50.670 50.822 -0.152 2 1 563 . 2 2 B 52 52 ALA CB C 281 17.140 21.973 -4.833 2 1 564 . 2 2 B 52 52 ALA N N 281 122.130 126.572 -4.442 2 1 565 . 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 2 1 566 . 2 2 B 53 53 ILE HA H 282 3.990 4.031 -0.041 2 1 576 . 2 2 B 53 53 ILE C C 282 173.770 175.864 -2.094 2 1 577 . 2 2 B 53 53 ILE CA C 282 57.780 62.323 -4.543 2 1 578 . 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 2 1 582 . 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 2 1 583 . 2 2 B 54 54 ILE H H 283 8.040 8.499 -0.459 2 1 584 . 2 2 B 54 54 ILE HA H 283 3.960 4.062 -0.102 2 1 594 . 2 2 B 54 54 ILE C C 283 173.830 177.536 -3.706 2 1 595 . 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 2 1 596 . 2 2 B 54 54 ILE CB C 283 35.570 38.471 -2.901 2 1 600 . 2 2 B 54 54 ILE N N 283 126.980 127.887 -0.907 2 1 601 . 2 2 B 55 55 SER H H 284 7.620 7.876 -0.256 2 1 602 . 2 2 B 55 55 SER HA H 284 4.170 4.284 -0.114 2 1 605 . 2 2 B 55 55 SER C C 284 171.240 174.593 -3.353 2 1 606 . 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 2 1 607 . 2 2 B 55 55 SER CB C 284 60.770 62.963 -2.193 2 1 608 . 2 2 B 55 55 SER N N 284 111.940 116.513 -4.573 2 1 609 . 2 2 B 56 56 GLU H H 285 7.330 7.831 -0.501 2 1 610 . 2 2 B 56 56 GLU HA H 285 4.100 4.768 -0.668 2 1 613 . 2 2 B 56 56 GLU C C 285 169.310 174.875 -5.565 2 1 614 . 2 2 B 56 56 GLU CA C 285 53.050 55.380 -2.330 2 1 615 . 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 2 1 617 . 2 2 B 56 56 GLU N N 285 124.640 119.108 5.532 2 1 618 . 2 2 B 57 57 ASN H H 286 7.980 9.032 -1.052 2 1 619 . 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 2 1 624 . 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 2 1 625 . 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 2 1 626 . 2 2 B 57 57 ASN N N 286 121.210 120.230 0.980 2 1 628 . 2 2 B 58 58 PRO HA H 287 4.800 4.836 -0.036 2 1 633 . 2 2 B 58 58 PRO C C 287 172.280 175.223 -2.943 2 1 634 . 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 2 1 635 . 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 2 1 638 . 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 2 1 639 . 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 2 1 642 . 2 2 B 59 59 CYS C C 288 168.670 173.223 -4.553 2 1 643 . 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 2 1 644 . 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 2 1 645 . 2 2 B 59 59 CYS N N 288 113.090 119.530 -6.440 2 1 646 . 2 2 B 60 60 ILE H H 289 8.160 8.653 -0.493 2 1 647 . 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 2 1 657 . 2 2 B 60 60 ILE C C 289 173.140 174.342 -1.202 2 1 658 . 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 2 1 659 . 2 2 B 60 60 ILE CB C 289 34.090 39.050 -4.960 2 1 663 . 2 2 B 60 60 ILE N N 289 121.390 125.036 -3.646 2 1 664 . 2 2 B 61 61 LYS H H 290 8.600 9.466 -0.866 2 1 665 . 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 2 1 668 . 2 2 B 61 61 LYS C C 290 171.240 175.162 -3.922 2 1 669 . 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 2 1 670 . 2 2 B 61 61 LYS CB C 290 32.110 33.829 -1.719 2 1 674 . 2 2 B 61 61 LYS N N 290 125.550 127.453 -1.903 2 1 675 . 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 2 1 676 . 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 2 1 681 . 2 2 B 62 62 HIS C C 291 172.580 173.428 -0.848 2 1 682 . 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 2 1 683 . 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 2 1 686 . 2 2 B 62 62 HIS N N 291 120.780 121.641 -0.861 2 1 687 . 2 2 B 63 63 TYR H H 292 9.730 8.768 0.962 2 1 688 . 2 2 B 63 63 TYR HA H 292 4.770 4.895 -0.125 2 1 693 . 2 2 B 63 63 TYR C C 292 172.440 175.396 -2.956 2 1 694 . 2 2 B 63 63 TYR CA C 292 53.760 56.839 -3.079 2 1 695 . 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 2 1 697 . 2 2 B 63 63 TYR N N 292 123.200 124.330 -1.130 2 1 698 . 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 2 1 699 . 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 2 1 702 . 2 2 B 64 64 HIS C C 293 172.600 175.423 -2.823 2 1 703 . 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 2 1 704 . 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 2 1 707 . 2 2 B 64 64 HIS N N 293 125.350 126.192 -0.842 2 1 708 . 2 2 B 65 65 ILE H H 294 8.730 8.784 -0.054 2 1 709 . 2 2 B 65 65 ILE HA H 294 3.960 3.948 0.012 2 1 719 . 2 2 B 65 65 ILE C C 294 172.770 175.956 -3.186 2 1 720 . 2 2 B 65 65 ILE CA C 294 60.480 62.228 -1.748 2 1 721 . 2 2 B 65 65 ILE CB C 294 33.270 37.696 -4.426 2 1 725 . 2 2 B 65 65 ILE N N 294 125.050 125.868 -0.818 2 1 726 . 2 2 B 66 66 LYS H H 295 8.650 8.064 0.586 2 1 727 . 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 2 1 732 . 2 2 B 66 66 LYS C C 295 171.730 175.580 -3.850 2 1 733 . 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 2 1 734 . 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 2 1 738 . 2 2 B 66 66 LYS N N 295 131.840 127.459 4.381 2 1 739 . 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 2 1 740 . 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 2 1 743 . 2 2 B 67 67 GLU C C 296 176.050 175.197 0.853 2 1 744 . 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 2 1 745 . 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 2 1 747 . 2 2 B 67 67 GLU N N 296 115.760 124.619 -8.859 2 1 748 . 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 2 1 749 . 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 2 1 754 . 2 2 B 68 68 THR C C 297 170.700 173.058 -2.358 2 1 755 . 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 2 1 756 . 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 2 1 758 . 2 2 B 68 68 THR N N 297 113.320 122.384 -9.064 2 1 759 . 2 2 B 69 69 ASN H H 298 8.340 8.899 -0.559 2 1 760 . 2 2 B 69 69 ASN HA H 298 4.820 4.665 0.155 2 1 765 . 2 2 B 69 69 ASN C C 298 173.110 174.036 -0.926 2 1 766 . 2 2 B 69 69 ASN CA C 298 49.830 53.285 -3.455 2 1 767 . 2 2 B 69 69 ASN CB C 298 35.370 38.369 -2.999 2 1 768 . 2 2 B 69 69 ASN N N 298 114.860 128.084 -13.224 2 1 770 . 2 2 B 70 70 ASP H H 299 7.090 8.381 -1.291 2 1 771 . 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 2 1 774 . 2 2 B 70 70 ASP C C 299 170.730 174.472 -3.742 2 1 775 . 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 2 1 776 . 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 2 1 777 . 2 2 B 70 70 ASP N N 299 117.020 126.148 -9.128 2 1 778 . 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 2 1 779 . 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 2 1 782 . 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 2 1 783 . 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 2 1 784 . 2 2 B 71 71 SER N N 300 112.940 115.562 -2.622 2 1 785 . 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 2 1 792 . 2 2 B 72 72 PRO C C 301 172.750 176.919 -4.169 2 1 793 . 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 2 1 794 . 2 2 B 72 72 PRO CB C 301 32.140 31.620 0.520 2 1 797 . 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 2 1 798 . 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 2 1 801 . 2 2 B 73 73 LYS C C 302 172.790 175.944 -3.154 2 1 802 . 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 2 1 803 . 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 2 1 807 . 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 2 1 808 . 2 2 B 74 74 ARG H H 303 7.270 8.429 -1.159 2 1 809 . 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 2 1 815 . 2 2 B 74 74 ARG C C 303 171.920 175.351 -3.431 2 1 816 . 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 2 1 817 . 2 2 B 74 74 ARG CB C 303 30.530 32.140 -1.610 2 1 820 . 2 2 B 74 74 ARG N N 303 119.540 118.722 0.818 2 1 822 . 2 2 B 75 75 TYR H H 304 8.790 7.580 1.210 2 1 823 . 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 2 1 830 . 2 2 B 75 75 TYR C C 304 172.790 175.321 -2.531 2 1 831 . 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 2 1 832 . 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 2 1 833 . 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 2 1 834 . 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 2 1 835 . 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 2 1 842 . 2 2 B 76 76 TYR C C 305 170.420 173.986 -3.566 2 1 843 . 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 2 1 844 . 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 2 1 847 . 2 2 B 76 76 TYR N N 305 116.190 119.599 -3.409 2 1 848 . 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 2 1 849 . 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 2 1 857 . 2 2 B 77 77 VAL C C 306 173.060 175.232 -2.172 2 1 858 . 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 2 1 859 . 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 2 1 862 . 2 2 B 77 77 VAL N N 306 114.390 116.871 -2.481 2 1 863 . 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 2 1 864 . 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 2 1 868 . 2 2 B 78 78 ALA C C 307 174.130 178.241 -4.111 2 1 869 . 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 2 1 870 . 2 2 B 78 78 ALA CB C 307 19.040 21.567 -2.527 2 1 871 . 2 2 B 78 78 ALA N N 307 128.320 126.877 1.443 2 1 872 . 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 2 1 873 . 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 2 1 876 . 2 2 B 79 79 GLU C C 308 173.390 175.732 -2.342 2 1 877 . 2 2 B 79 79 GLU CA C 308 56.920 57.808 -0.888 2 1 878 . 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 2 1 880 . 2 2 B 79 79 GLU N N 308 121.570 114.636 6.934 2 1 881 . 2 2 B 80 80 LYS H H 309 7.760 8.147 -0.387 2 1 882 . 2 2 B 80 80 LYS HA H 309 3.540 4.008 -0.468 2 1 887 . 2 2 B 80 80 LYS C C 309 172.950 175.439 -2.489 2 1 888 . 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 2 1 889 . 2 2 B 80 80 LYS CB C 309 29.500 32.282 -2.782 2 1 893 . 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 2 1 894 . 2 2 B 81 81 TYR H H 310 7.780 7.779 0.001 2 1 895 . 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 2 1 902 . 2 2 B 81 81 TYR C C 310 168.930 174.759 -5.829 2 1 903 . 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 2 1 904 . 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 2 1 907 . 2 2 B 81 81 TYR N N 310 120.570 115.355 5.215 2 1 908 . 2 2 B 82 82 VAL H H 311 7.180 8.376 -1.196 2 1 909 . 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 2 1 917 . 2 2 B 82 82 VAL C C 311 172.950 174.515 -1.565 2 1 918 . 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 2 1 919 . 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 2 1 922 . 2 2 B 82 82 VAL N N 311 120.960 120.281 0.679 2 1 923 . 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 2 1 924 . 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 2 1 932 . 2 2 B 83 83 PHE C C 312 173.980 175.565 -1.585 2 1 933 . 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 2 1 934 . 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 2 1 935 . 2 2 B 83 83 PHE N N 312 121.080 125.031 -3.951 2 1 936 . 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 2 1 937 . 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 2 1 939 . 2 2 B 84 84 ASP C C 313 172.950 175.930 -2.980 2 1 940 . 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 2 1 941 . 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 2 1 942 . 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 2 1 943 . 2 2 B 85 85 SER H H 314 7.590 8.004 -0.414 2 1 944 . 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 2 1 947 . 2 2 B 85 85 SER C C 314 170.010 174.277 -4.267 2 1 948 . 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 2 1 949 . 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 2 1 950 . 2 2 B 85 85 SER N N 314 110.490 113.543 -3.053 2 1 951 . 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 2 1 952 . 2 2 B 86 86 ILE HA H 315 3.480 3.886 -0.406 2 1 962 . 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 2 1 963 . 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 2 1 967 . 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 2 1 968 . 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 2 1 975 . 2 2 B 87 87 PRO C C 316 176.030 179.417 -3.387 2 1 976 . 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 2 1 977 . 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 2 1 980 . 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 2 1 981 . 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 2 1 991 . 2 2 B 88 88 LEU C C 317 175.370 178.813 -3.443 2 1 992 . 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 2 1 993 . 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 2 1 997 . 2 2 B 88 88 LEU N N 317 116.410 116.534 -0.124 2 1 998 . 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 2 1 999 . 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 2 1 1009 . 2 2 B 89 89 LEU C C 318 175.190 178.612 -3.422 2 1 1010 . 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 2 1 1011 . 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 2 1 1015 . 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 2 1 1016 . 2 2 B 90 90 ILE H H 319 7.880 7.543 0.337 2 1 1017 . 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 2 1 1027 . 2 2 B 90 90 ILE C C 319 174.550 178.071 -3.521 2 1 1028 . 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 2 1 1029 . 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 2 1 1033 . 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 2 1 1034 . 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 2 1 1035 . 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 2 1 1042 . 2 2 B 91 91 GLN C C 320 175.910 177.873 -1.963 2 1 1043 . 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 2 1 1044 . 2 2 B 91 91 GLN CB C 320 26.130 28.488 -2.358 2 1 1046 . 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 2 1 1048 . 2 2 B 92 92 TYR H H 321 7.520 8.101 -0.581 2 1 1049 . 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 2 1 1056 . 2 2 B 92 92 TYR C C 321 176.260 177.342 -1.082 2 1 1057 . 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 2 1 1058 . 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 2 1 1059 . 2 2 B 92 92 TYR N N 321 118.630 121.712 -3.082 2 1 1060 . 2 2 B 93 93 HIS H H 322 7.620 7.649 -0.029 2 1 1061 . 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 2 1 1067 . 2 2 B 93 93 HIS C C 322 172.600 177.184 -4.584 2 1 1068 . 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 2 1 1069 . 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 2 1 1072 . 2 2 B 93 93 HIS N N 322 116.830 117.193 -0.363 2 1 1073 . 2 2 B 94 94 GLN H H 323 7.600 7.701 -0.101 2 1 1074 . 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 2 1 1080 . 2 2 B 94 94 GLN C C 323 174.350 175.064 -0.714 2 1 1081 . 2 2 B 94 94 GLN CA C 323 54.900 58.310 -3.410 2 1 1082 . 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 2 1 1084 . 2 2 B 94 94 GLN N N 323 119.350 119.097 0.253 2 1 1086 . 2 2 B 95 95 TYR H H 324 6.760 7.481 -0.721 2 1 1087 . 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 2 1 1092 . 2 2 B 95 95 TYR C C 324 172.070 175.386 -3.316 2 1 1093 . 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 2 1 1094 . 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 2 1 1097 . 2 2 B 95 95 TYR N N 324 115.090 117.250 -2.160 2 1 1098 . 2 2 B 96 96 ASN H H 325 7.540 8.967 -1.427 2 1 1099 . 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 2 1 1104 . 2 2 B 96 96 ASN C C 325 170.690 174.887 -4.197 2 1 1105 . 2 2 B 96 96 ASN CA C 325 49.330 55.163 -5.833 2 1 1106 . 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 2 1 1107 . 2 2 B 96 96 ASN N N 325 117.890 120.738 -2.848 2 1 1109 . 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 2 1 1110 . 2 2 B 97 97 GLY C C 326 173.560 172.093 1.467 2 1 1111 . 2 2 B 97 97 GLY CA C 326 43.820 45.134 -1.314 2 1 1112 . 2 2 B 97 97 GLY N N 326 109.780 108.612 1.168 2 1 1113 . 2 2 B 98 98 GLY H H 327 8.180 8.807 -0.627 2 1 1114 . 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 2 1 1115 . 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 2 1 1116 . 2 2 B 98 98 GLY C C 327 170.780 174.560 -3.780 2 1 1117 . 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 2 1 1118 . 2 2 B 98 98 GLY N N 327 107.410 111.323 -3.913 2 1 1119 . 2 2 B 99 99 GLY H H 328 8.230 9.026 -0.796 2 1 1120 . 2 2 B 99 99 GLY HA2 H 328 4.210 3.945 0.265 2 1 1121 . 2 2 B 99 99 GLY HA3 H 328 3.640 3.989 -0.349 2 1 1122 . 2 2 B 99 99 GLY C C 328 172.370 173.368 -0.998 2 1 1123 . 2 2 B 99 99 GLY CA C 328 42.400 46.642 -4.242 2 1 1124 . 2 2 B 99 99 GLY N N 328 106.610 108.149 -1.539 2 1 1125 . 2 2 B 100 100 LEU H H 329 7.630 7.121 0.509 2 1 1126 . 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 2 1 1136 . 2 2 B 100 100 LEU C C 329 175.380 176.911 -1.531 2 1 1137 . 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 2 1 1138 . 2 2 B 100 100 LEU CB C 329 40.310 45.061 -4.751 2 1 1142 . 2 2 B 100 100 LEU N N 329 119.240 120.151 -0.911 2 1 1143 . 2 2 B 101 101 VAL H H 330 7.410 8.542 -1.132 2 1 1144 . 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 2 1 1149 . 2 2 B 101 101 VAL CA C 330 60.940 64.439 -3.499 2 1 1150 . 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 2 1 1152 . 2 2 B 101 101 VAL N N 330 114.840 125.339 -10.499 2 1 1153 . 2 2 B 102 102 THR H H 331 6.940 7.455 -0.515 2 1 1154 . 2 2 B 102 102 THR HA H 331 4.210 4.551 -0.341 2 1 1159 . 2 2 B 102 102 THR C C 331 168.210 174.032 -5.822 2 1 1160 . 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 2 1 1161 . 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 2 1 1163 . 2 2 B 102 102 THR N N 331 112.880 107.996 4.884 2 1 1164 . 2 2 B 103 103 ARG H H 332 7.400 7.897 -0.497 2 1 1165 . 2 2 B 103 103 ARG HA H 332 3.970 3.997 -0.027 2 1 1168 . 2 2 B 103 103 ARG C C 332 172.790 175.346 -2.556 2 1 1169 . 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 2 1 1170 . 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 2 1 1173 . 2 2 B 103 103 ARG N N 332 120.120 118.243 1.877 2 1 1174 . 2 2 B 104 104 LEU H H 333 7.340 7.891 -0.551 2 1 1175 . 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 2 1 1185 . 2 2 B 104 104 LEU C C 333 172.260 176.634 -4.374 2 1 1186 . 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 2 1 1187 . 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 2 1 1191 . 2 2 B 104 104 LEU N N 333 119.700 125.040 -5.340 2 1 1192 . 2 2 B 105 105 ARG H H 334 8.190 8.832 -0.642 2 1 1193 . 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 2 1 1194 . 2 2 B 105 105 ARG C C 334 174.150 175.087 -0.937 2 1 1195 . 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 2 1 1196 . 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 2 1 1199 . 2 2 B 105 105 ARG N N 334 122.270 125.630 -3.360 2 1 1200 . 2 2 B 106 106 TYR H H 335 7.600 7.867 -0.267 2 1 1201 . 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 2 1 1206 . 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 2 1 1207 . 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 2 1 1208 . 2 2 B 106 106 TYR N N 335 117.950 118.541 -0.591 2 1 1209 . 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 2 1 1216 . 2 2 B 107 107 PRO C C 336 173.810 175.665 -1.855 2 1 1217 . 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 2 1 1218 . 2 2 B 107 107 PRO CB C 336 30.100 32.184 -2.084 2 1 1221 . 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 2 1 1222 . 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 2 1 1230 . 2 2 B 108 108 VAL C C 337 171.050 174.357 -3.307 2 1 1231 . 2 2 B 108 108 VAL CA C 337 59.380 60.353 -0.973 2 1 1232 . 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 2 1 1235 . 2 2 B 108 108 VAL N N 337 124.780 120.080 4.700 2 1 1236 . 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 2 1 1237 . 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 2 1 1240 . 2 2 B 109 109 CYS C C 338 172.430 174.525 -2.095 2 1 1241 . 2 2 B 109 109 CYS CA C 338 54.830 57.308 -2.478 2 1 1242 . 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 2 1 1243 . 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 2 2 4 . 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 2 2 5 . 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 2 2 6 . 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 2 2 7 . 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 2 2 12 . 1 1 A 3 3 PRO C C 171 174.290 176.958 -2.668 2 2 13 . 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 2 2 14 . 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 2 2 17 . 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 2 2 18 . 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 2 2 23 . 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 2 2 24 . 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 2 2 25 . 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 2 2 27 . 1 1 A 4 4 GLU N N 172 119.350 115.861 3.489 2 2 28 . 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 2 2 29 . 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 2 2 32 . 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 2 2 33 . 1 1 A 5 5 GLU CA C 173 54.390 54.761 -0.371 2 2 34 . 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 2 2 36 . 1 1 A 5 5 GLU N N 173 120.550 116.496 4.054 2 2 37 . 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 2 2 38 . 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 2 2 43 . 1 1 A 6 6 THR C C 174 170.170 172.506 -2.336 2 2 44 . 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 2 2 45 . 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 2 2 47 . 1 1 A 6 6 THR N N 174 119.000 114.961 4.039 2 2 48 . 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 2 2 49 . 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 2 2 59 . 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 2 2 60 . 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 2 2 61 . 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 2 2 65 . 1 1 A 7 7 LEU N N 175 127.130 123.771 3.359 2 2 66 . 1 1 A 8 8 VAL H H 176 9.200 8.934 0.266 2 2 67 . 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 2 2 75 . 1 1 A 8 8 VAL C C 176 170.920 174.626 -3.706 2 2 76 . 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 2 2 77 . 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 2 2 80 . 1 1 A 8 8 VAL N N 176 114.510 117.405 -2.895 2 2 81 . 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 2 2 82 . 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 2 2 92 . 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 2 2 93 . 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 2 2 94 . 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 2 2 98 . 1 1 A 9 9 ILE N N 177 120.630 121.748 -1.118 2 2 99 . 1 1 A 10 10 ALA H H 178 8.140 8.492 -0.352 2 2 100 . 1 1 A 10 10 ALA HA H 178 5.020 4.747 0.273 2 2 104 . 1 1 A 10 10 ALA C C 178 176.100 178.181 -2.081 2 2 105 . 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 2 2 106 . 1 1 A 10 10 ALA CB C 178 17.410 19.050 -1.640 2 2 107 . 1 1 A 10 10 ALA N N 178 125.350 128.303 -2.953 2 2 108 . 1 1 A 11 11 LEU H H 179 9.270 8.578 0.692 2 2 109 . 1 1 A 11 11 LEU HA H 179 3.820 3.910 -0.090 2 2 119 . 1 1 A 11 11 LEU C C 179 172.830 176.318 -3.488 2 2 120 . 1 1 A 11 11 LEU CA C 179 52.950 57.091 -4.141 2 2 121 . 1 1 A 11 11 LEU CB C 179 41.340 41.785 -0.445 2 2 125 . 1 1 A 11 11 LEU N N 179 125.920 125.563 0.357 2 2 126 . 1 1 A 12 12 TYR H H 180 6.950 7.706 -0.756 2 2 127 . 1 1 A 12 12 TYR HA H 180 4.590 4.827 -0.237 2 2 130 . 1 1 A 12 12 TYR C C 180 170.940 174.333 -3.393 2 2 131 . 1 1 A 12 12 TYR CA C 180 50.960 56.866 -5.906 2 2 132 . 1 1 A 12 12 TYR CB C 180 39.780 41.489 -1.709 2 2 133 . 1 1 A 12 12 TYR N N 180 111.350 115.131 -3.781 2 2 134 . 1 1 A 13 13 ASP H H 181 8.150 8.608 -0.458 2 2 135 . 1 1 A 13 13 ASP HA H 181 4.510 4.882 -0.372 2 2 138 . 1 1 A 13 13 ASP C C 181 173.290 174.583 -1.293 2 2 139 . 1 1 A 13 13 ASP CA C 181 51.890 52.980 -1.090 2 2 140 . 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 2 2 141 . 1 1 A 13 13 ASP N N 181 117.630 122.332 -4.702 2 2 142 . 1 1 A 14 14 TYR H H 182 8.650 8.775 -0.125 2 2 143 . 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 2 2 144 . 1 1 A 14 14 TYR C C 182 171.140 175.149 -4.009 2 2 145 . 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 2 2 146 . 1 1 A 14 14 TYR CB C 182 38.980 39.940 -0.960 2 2 147 . 1 1 A 14 14 TYR N N 182 121.640 127.856 -6.216 2 2 148 . 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 2 2 149 . 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 2 2 154 . 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 2 2 155 . 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 2 2 156 . 1 1 A 15 15 GLN CB C 183 26.830 32.322 -5.492 2 2 158 . 1 1 A 15 15 GLN N N 183 126.050 126.069 -0.019 2 2 160 . 1 1 A 16 16 THR H H 184 7.770 9.051 -1.281 2 2 161 . 1 1 A 16 16 THR HA H 184 4.220 4.579 -0.359 2 2 166 . 1 1 A 16 16 THR C C 184 169.070 174.428 -5.358 2 2 167 . 1 1 A 16 16 THR CA C 184 56.940 62.175 -5.235 2 2 168 . 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 2 2 170 . 1 1 A 16 16 THR N N 184 115.120 119.979 -4.859 2 2 171 . 1 1 A 17 17 ASN H H 185 8.590 9.147 -0.557 2 2 172 . 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 2 2 177 . 1 1 A 17 17 ASN C C 185 172.010 174.524 -2.514 2 2 178 . 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 2 2 179 . 1 1 A 17 17 ASN CB C 185 37.300 40.301 -3.001 2 2 180 . 1 1 A 17 17 ASN N N 185 122.670 120.486 2.184 2 2 182 . 1 1 A 18 18 ASP H H 186 8.370 7.711 0.659 2 2 183 . 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 2 2 186 . 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 2 2 187 . 1 1 A 18 18 ASP CB C 186 40.440 42.768 -2.328 2 2 188 . 1 1 A 18 18 ASP N N 186 125.630 118.036 7.594 2 2 189 . 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 2 2 194 . 1 1 A 19 19 PRO C C 187 174.970 178.825 -3.855 2 2 195 . 1 1 A 19 19 PRO CA C 187 61.850 65.471 -3.621 2 2 196 . 1 1 A 19 19 PRO CB C 187 29.770 31.679 -1.909 2 2 199 . 1 1 A 20 20 GLN H H 188 8.820 8.540 0.280 2 2 200 . 1 1 A 20 20 GLN HA H 188 4.460 4.020 0.440 2 2 205 . 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 2 2 206 . 1 1 A 20 20 GLN CA C 188 53.440 59.197 -5.757 2 2 207 . 1 1 A 20 20 GLN CB C 188 27.070 28.296 -1.226 2 2 209 . 1 1 A 20 20 GLN N N 188 115.810 117.172 -1.362 2 2 211 . 1 1 A 21 21 GLU H H 189 7.870 7.830 0.040 2 2 212 . 1 1 A 21 21 GLU HA H 189 5.270 4.618 0.652 2 2 215 . 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 2 2 216 . 1 1 A 21 21 GLU CA C 189 52.390 57.208 -4.818 2 2 217 . 1 1 A 21 21 GLU CB C 189 31.370 30.290 1.080 2 2 219 . 1 1 A 21 21 GLU N N 189 120.380 118.174 2.206 2 2 220 . 1 1 A 22 22 LEU H H 190 8.070 8.626 -0.556 2 2 221 . 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 2 2 231 . 1 1 A 22 22 LEU C C 190 170.930 176.657 -5.727 2 2 232 . 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 2 2 233 . 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 2 2 237 . 1 1 A 22 22 LEU N N 190 123.040 124.700 -1.660 2 2 238 . 1 1 A 23 23 ALA H H 191 7.770 8.616 -0.846 2 2 239 . 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 2 2 243 . 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 2 2 244 . 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 2 2 245 . 1 1 A 23 23 ALA CB C 191 16.320 19.217 -2.897 2 2 246 . 1 1 A 23 23 ALA N N 191 124.770 128.088 -3.318 2 2 247 . 1 1 A 24 24 LEU H H 192 8.530 8.944 -0.414 2 2 248 . 1 1 A 24 24 LEU HA H 192 4.940 5.401 -0.461 2 2 258 . 1 1 A 24 24 LEU C C 192 175.110 175.714 -0.604 2 2 259 . 1 1 A 24 24 LEU CA C 192 50.020 53.379 -3.359 2 2 260 . 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 2 2 264 . 1 1 A 24 24 LEU N N 192 117.040 121.079 -4.039 2 2 265 . 1 1 A 25 25 ARG H H 193 8.260 8.848 -0.588 2 2 266 . 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 2 2 271 . 1 1 A 25 25 ARG C C 193 171.570 174.174 -2.604 2 2 272 . 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 2 2 273 . 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 2 2 276 . 1 1 A 25 25 ARG N N 193 123.500 120.228 3.272 2 2 278 . 1 1 A 26 26 CYS H H 194 8.890 8.520 0.370 2 2 279 . 1 1 A 26 26 CYS HA H 194 3.240 4.532 -1.292 2 2 280 . 1 1 A 26 26 CYS C C 194 172.110 175.291 -3.181 2 2 281 . 1 1 A 26 26 CYS CA C 194 58.740 59.411 -0.671 2 2 282 . 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 2 2 283 . 1 1 A 26 26 CYS N N 194 123.100 123.155 -0.055 2 2 284 . 1 1 A 27 27 ASP H H 195 8.860 8.957 -0.097 2 2 285 . 1 1 A 27 27 ASP HA H 195 4.150 4.172 -0.022 2 2 288 . 1 1 A 27 27 ASP C C 195 172.530 174.137 -1.607 2 2 289 . 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 2 2 290 . 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 2 2 291 . 1 1 A 27 27 ASP N N 195 120.740 120.570 0.170 2 2 292 . 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 2 2 293 . 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 2 2 294 . 1 1 A 28 28 GLU C C 196 170.910 175.096 -4.186 2 2 295 . 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 2 2 296 . 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 2 2 298 . 1 1 A 28 28 GLU N N 196 122.610 118.800 3.810 2 2 299 . 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 2 2 300 . 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 2 2 303 . 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 2 2 304 . 1 1 A 29 29 GLU CA C 197 51.650 54.328 -2.678 2 2 305 . 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 2 2 307 . 1 1 A 29 29 GLU N N 197 119.280 124.479 -5.199 2 2 308 . 1 1 A 30 30 TYR H H 198 9.110 8.857 0.253 2 2 309 . 1 1 A 30 30 TYR HA H 198 4.410 5.147 -0.737 2 2 312 . 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 2 2 313 . 1 1 A 30 30 TYR CA C 198 53.790 56.456 -2.666 2 2 314 . 1 1 A 30 30 TYR CB C 198 39.450 43.581 -4.131 2 2 315 . 1 1 A 30 30 TYR N N 198 119.170 119.072 0.098 2 2 316 . 1 1 A 31 31 TYR H H 199 9.190 8.759 0.431 2 2 317 . 1 1 A 31 31 TYR HA H 199 4.780 5.363 -0.583 2 2 320 . 1 1 A 31 31 TYR C C 199 173.570 174.751 -1.181 2 2 321 . 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 2 2 322 . 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 2 2 323 . 1 1 A 31 31 TYR N N 199 119.570 118.572 0.998 2 2 324 . 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 2 2 325 . 1 1 A 32 32 LEU HA H 200 4.310 5.210 -0.900 2 2 335 . 1 1 A 32 32 LEU C C 200 172.640 175.669 -3.029 2 2 336 . 1 1 A 32 32 LEU CA C 200 52.200 53.650 -1.450 2 2 337 . 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 2 2 341 . 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 2 2 342 . 1 1 A 33 33 LEU H H 201 8.790 8.767 0.023 2 2 343 . 1 1 A 33 33 LEU HA H 201 4.370 4.631 -0.261 2 2 353 . 1 1 A 33 33 LEU C C 201 174.910 176.979 -2.069 2 2 354 . 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 2 2 355 . 1 1 A 33 33 LEU CB C 201 39.660 43.724 -4.064 2 2 359 . 1 1 A 33 33 LEU N N 201 127.530 126.843 0.687 2 2 360 . 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 2 2 361 . 1 1 A 34 34 ASP HA H 202 4.640 4.910 -0.270 2 2 362 . 1 1 A 34 34 ASP C C 202 172.520 175.953 -3.433 2 2 363 . 1 1 A 34 34 ASP CA C 202 52.110 53.153 -1.043 2 2 364 . 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 2 2 365 . 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 2 2 366 . 1 1 A 35 35 SER H H 203 8.960 8.865 0.095 2 2 367 . 1 1 A 35 35 SER HA H 203 4.250 3.979 0.271 2 2 370 . 1 1 A 35 35 SER C C 203 171.520 176.494 -4.974 2 2 371 . 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 2 2 372 . 1 1 A 35 35 SER CB C 203 59.680 62.943 -3.263 2 2 373 . 1 1 A 35 35 SER N N 203 123.770 121.633 2.137 2 2 374 . 1 1 A 36 36 SER H H 204 8.510 7.437 1.073 2 2 375 . 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 2 2 378 . 1 1 A 36 36 SER C C 204 172.960 175.246 -2.286 2 2 379 . 1 1 A 36 36 SER CA C 204 59.310 61.489 -2.179 2 2 380 . 1 1 A 36 36 SER CB C 204 60.670 62.510 -1.840 2 2 381 . 1 1 A 36 36 SER N N 204 118.690 113.962 4.728 2 2 382 . 1 1 A 37 37 GLU H H 205 8.770 7.769 1.001 2 2 383 . 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 2 2 386 . 1 1 A 37 37 GLU C C 205 173.990 176.296 -2.306 2 2 387 . 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 2 2 388 . 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 2 2 390 . 1 1 A 37 37 GLU N N 205 123.110 121.799 1.311 2 2 391 . 1 1 A 38 38 ILE H H 206 8.130 8.124 0.006 2 2 392 . 1 1 A 38 38 ILE HA H 206 3.770 3.933 -0.163 2 2 402 . 1 1 A 38 38 ILE C C 206 176.120 177.509 -1.389 2 2 403 . 1 1 A 38 38 ILE CA C 206 62.000 63.405 -1.405 2 2 404 . 1 1 A 38 38 ILE CB C 206 35.530 37.557 -2.027 2 2 408 . 1 1 A 38 38 ILE N N 206 117.030 123.195 -6.165 2 2 409 . 1 1 A 39 39 HIS H H 207 8.460 6.705 1.755 2 2 410 . 1 1 A 39 39 HIS HA H 207 4.190 4.129 0.061 2 2 416 . 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 2 2 417 . 1 1 A 39 39 HIS CA C 207 55.490 58.120 -2.630 2 2 418 . 1 1 A 39 39 HIS CB C 207 29.180 29.407 -0.227 2 2 421 . 1 1 A 39 39 HIS N N 207 116.550 118.204 -1.654 2 2 422 . 1 1 A 40 40 TRP H H 208 7.110 8.415 -1.305 2 2 423 . 1 1 A 40 40 TRP HA H 208 4.830 5.084 -0.254 2 2 432 . 1 1 A 40 40 TRP C C 208 171.260 175.152 -3.892 2 2 433 . 1 1 A 40 40 TRP CA C 208 53.520 55.460 -1.940 2 2 434 . 1 1 A 40 40 TRP CB C 208 29.810 32.197 -2.387 2 2 440 . 1 1 A 40 40 TRP N N 208 119.720 117.248 2.472 2 2 442 . 1 1 A 41 41 TRP H H 209 9.230 8.738 0.492 2 2 443 . 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 2 2 452 . 1 1 A 41 41 TRP C C 209 172.080 176.077 -3.997 2 2 453 . 1 1 A 41 41 TRP CA C 209 50.440 55.725 -5.285 2 2 454 . 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 2 2 460 . 1 1 A 41 41 TRP N N 209 124.040 122.698 1.342 2 2 462 . 1 1 A 42 42 ARG H H 210 8.810 8.912 -0.102 2 2 463 . 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 2 2 468 . 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 2 2 469 . 1 1 A 42 42 ARG CA C 210 52.810 57.315 -4.505 2 2 470 . 1 1 A 42 42 ARG CB C 210 29.320 31.059 -1.739 2 2 473 . 1 1 A 42 42 ARG N N 210 123.410 125.391 -1.981 2 2 475 . 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 2 2 476 . 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 2 2 484 . 1 1 A 43 43 VAL C C 211 170.480 173.631 -3.151 2 2 485 . 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 2 2 486 . 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 2 2 489 . 1 1 A 43 43 VAL N N 211 121.440 118.623 2.817 2 2 490 . 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 2 2 491 . 1 1 A 44 44 GLN HA H 212 5.610 5.055 0.555 2 2 498 . 1 1 A 44 44 GLN C C 212 172.980 174.839 -1.859 2 2 499 . 1 1 A 44 44 GLN CA C 212 50.810 54.326 -3.516 2 2 500 . 1 1 A 44 44 GLN CB C 212 32.440 31.917 0.523 2 2 502 . 1 1 A 44 44 GLN N N 212 119.200 121.842 -2.642 2 2 504 . 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 2 2 505 . 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 2 2 508 . 1 1 A 45 45 ASP C C 213 175.570 177.600 -2.030 2 2 509 . 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 2 2 510 . 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 2 2 511 . 1 1 A 45 45 ASP N N 213 125.560 128.049 -2.489 2 2 512 . 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 2 2 513 . 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 2 2 516 . 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 2 2 517 . 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 2 2 518 . 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 2 2 522 . 1 1 A 46 46 LYS N N 214 117.320 125.853 -8.533 2 2 523 . 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 2 2 524 . 1 1 A 47 47 ASN HA H 215 4.790 4.667 0.123 2 2 529 . 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 2 2 530 . 1 1 A 47 47 ASN CA C 215 50.430 53.894 -3.464 2 2 531 . 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 2 2 532 . 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 2 2 534 . 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 2 2 535 . 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 2 2 536 . 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 2 2 537 . 1 1 A 48 48 GLY C C 216 171.730 174.563 -2.833 2 2 538 . 1 1 A 48 48 GLY CA C 216 42.800 45.507 -2.707 2 2 539 . 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 2 2 540 . 1 1 A 49 49 HIS H H 217 8.500 7.992 0.508 2 2 541 . 1 1 A 49 49 HIS HA H 217 4.610 4.565 0.045 2 2 547 . 1 1 A 49 49 HIS C C 217 171.240 173.859 -2.619 2 2 548 . 1 1 A 49 49 HIS CA C 217 53.440 55.543 -2.103 2 2 549 . 1 1 A 49 49 HIS CB C 217 26.730 29.727 -2.997 2 2 552 . 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 2 2 553 . 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 2 2 554 . 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 2 2 557 . 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 2 2 558 . 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 2 2 559 . 1 1 A 50 50 GLU CB C 218 32.010 32.020 -0.010 2 2 561 . 1 1 A 50 50 GLU N N 218 120.370 122.467 -2.097 2 2 562 . 1 1 A 51 51 GLY H H 219 8.490 8.399 0.091 2 2 563 . 1 1 A 51 51 GLY HA2 H 219 3.790 4.006 -0.216 2 2 564 . 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 2 2 565 . 1 1 A 51 51 GLY C C 219 168.050 171.163 -3.113 2 2 566 . 1 1 A 51 51 GLY CA C 219 42.530 45.540 -3.010 2 2 567 . 1 1 A 51 51 GLY N N 219 106.330 108.578 -2.248 2 2 568 . 1 1 A 52 52 TYR H H 220 8.780 8.486 0.294 2 2 569 . 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 2 2 572 . 1 1 A 52 52 TYR C C 220 172.700 176.230 -3.530 2 2 573 . 1 1 A 52 52 TYR CA C 220 56.490 58.735 -2.245 2 2 574 . 1 1 A 52 52 TYR CB C 220 38.490 39.521 -1.031 2 2 575 . 1 1 A 52 52 TYR N N 220 118.110 119.720 -1.610 2 2 576 . 1 1 A 53 53 ALA H H 221 9.350 9.041 0.309 2 2 577 . 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 2 2 581 . 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 2 2 582 . 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 2 2 583 . 1 1 A 53 53 ALA N N 221 122.250 126.259 -4.009 2 2 584 . 1 1 A 54 54 PRO HA H 222 3.460 3.756 -0.296 2 2 591 . 1 1 A 54 54 PRO C C 222 175.420 176.146 -0.726 2 2 592 . 1 1 A 54 54 PRO CA C 222 59.050 62.377 -3.327 2 2 593 . 1 1 A 54 54 PRO CB C 222 28.110 32.727 -4.617 2 2 596 . 1 1 A 55 55 SER H H 223 7.560 8.256 -0.696 2 2 597 . 1 1 A 55 55 SER HA H 223 2.620 3.373 -0.753 2 2 600 . 1 1 A 55 55 SER C C 223 173.930 176.072 -2.142 2 2 601 . 1 1 A 55 55 SER CA C 223 57.600 59.959 -2.359 2 2 602 . 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 2 2 603 . 1 1 A 55 55 SER N N 223 121.750 117.434 4.316 2 2 604 . 1 1 A 56 56 SER H H 224 8.020 7.693 0.327 2 2 605 . 1 1 A 56 56 SER HA H 224 3.970 4.063 -0.093 2 2 608 . 1 1 A 56 56 SER C C 224 172.380 175.737 -3.357 2 2 609 . 1 1 A 56 56 SER CA C 224 57.350 62.130 -4.780 2 2 610 . 1 1 A 56 56 SER CB C 224 60.190 63.030 -2.840 2 2 611 . 1 1 A 56 56 SER N N 224 115.180 116.511 -1.331 2 2 612 . 1 1 A 57 57 TYR H H 225 7.450 7.427 0.023 2 2 613 . 1 1 A 57 57 TYR HA H 225 4.430 4.524 -0.094 2 2 616 . 1 1 A 57 57 TYR C C 225 171.470 175.197 -3.727 2 2 617 . 1 1 A 57 57 TYR CA C 225 55.180 60.093 -4.913 2 2 618 . 1 1 A 57 57 TYR CB C 225 35.610 38.667 -3.057 2 2 619 . 1 1 A 57 57 TYR N N 225 121.760 118.662 3.098 2 2 620 . 1 1 A 58 58 LEU H H 226 7.290 7.613 -0.323 2 2 621 . 1 1 A 58 58 LEU HA H 226 5.230 5.131 0.099 2 2 631 . 1 1 A 58 58 LEU C C 226 172.400 175.831 -3.431 2 2 632 . 1 1 A 58 58 LEU CA C 226 51.150 53.637 -2.487 2 2 633 . 1 1 A 58 58 LEU CB C 226 44.740 44.846 -0.106 2 2 637 . 1 1 A 58 58 LEU N N 226 120.930 120.486 0.444 2 2 638 . 1 1 A 59 59 VAL H H 227 8.480 8.924 -0.444 2 2 639 . 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 2 2 647 . 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 2 2 648 . 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 2 2 649 . 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 2 2 652 . 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 2 2 653 . 1 1 A 60 60 GLU H H 228 8.920 8.618 0.302 2 2 654 . 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 2 2 657 . 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 2 2 658 . 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 2 2 659 . 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 2 2 661 . 1 1 A 60 60 GLU N N 228 124.860 124.518 0.342 2 2 662 . 1 1 A 61 61 LYS H H 229 8.300 9.416 -1.116 2 2 663 . 1 1 A 61 61 LYS HA H 229 4.080 3.813 0.267 2 2 670 . 1 1 A 61 61 LYS C C 229 173.430 176.319 -2.889 2 2 671 . 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 2 2 672 . 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 2 2 676 . 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 2 2 677 . 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 2 2 678 . 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 2 2 681 . 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 2 2 682 . 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 2 2 683 . 1 1 A 62 62 SER N N 230 121.100 114.265 6.835 2 3 12 . 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 2 3 17 . 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 2 3 18 . 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 2 3 20 . 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 2 3 21 . 2 2 B 5 5 LEU HA H 234 3.900 4.081 -0.181 2 3 31 . 2 2 B 5 5 LEU CA C 234 53.890 54.671 -0.781 2 3 32 . 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 2 3 36 . 2 2 B 5 5 LEU N N 234 122.070 125.229 -3.159 2 3 37 . 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 2 3 38 . 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 2 3 41 . 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 2 3 42 . 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 2 3 44 . 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 2 3 45 . 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 2 3 46 . 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 2 3 51 . 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 2 3 52 . 2 2 B 7 7 THR CB C 236 66.580 67.892 -1.312 2 3 54 . 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 2 3 55 . 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 2 3 56 . 2 2 B 8 8 TYR HA H 237 3.970 4.436 -0.466 2 3 63 . 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 2 3 64 . 2 2 B 8 8 TYR CB C 237 35.030 38.888 -3.858 2 3 66 . 2 2 B 8 8 TYR N N 237 120.720 121.572 -0.852 2 3 67 . 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 2 3 68 . 2 2 B 9 9 GLU HA H 238 3.860 4.175 -0.315 2 3 71 . 2 2 B 9 9 GLU CA C 238 55.770 58.852 -3.082 2 3 72 . 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 2 3 74 . 2 2 B 9 9 GLU N N 238 122.650 119.607 3.043 2 3 75 . 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 2 3 76 . 2 2 B 10 10 TRP HA H 239 4.190 4.516 -0.326 2 3 85 . 2 2 B 10 10 TRP CA C 239 50.520 60.007 -9.487 2 3 86 . 2 2 B 10 10 TRP CB C 239 27.060 28.409 -1.349 2 3 92 . 2 2 B 10 10 TRP N N 239 107.760 118.881 -11.121 2 3 94 . 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 2 3 95 . 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 2 3 102 . 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 2 3 103 . 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 2 3 105 . 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 2 3 106 . 2 2 B 12 12 ASN H H 241 8.610 8.150 0.460 2 3 107 . 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 2 3 112 . 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 2 3 113 . 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 2 3 114 . 2 2 B 12 12 ASN N N 241 128.150 126.220 1.930 2 3 116 . 2 2 B 13 13 LYS H H 242 7.400 8.583 -1.183 2 3 117 . 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 2 3 120 . 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 2 3 121 . 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 2 3 125 . 2 2 B 13 13 LYS N N 242 121.780 123.697 -1.917 2 3 126 . 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 2 3 127 . 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 2 3 130 . 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 2 3 131 . 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 2 3 132 . 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 2 3 133 . 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 2 3 134 . 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 2 3 141 . 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 2 3 142 . 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 2 3 146 . 2 2 B 15 15 ILE N N 244 120.010 122.243 -2.233 2 3 147 . 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 2 3 148 . 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 2 3 151 . 2 2 B 16 16 SER CA C 245 54.580 57.468 -2.888 2 3 152 . 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 2 3 153 . 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 2 3 154 . 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 2 3 155 . 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 2 3 160 . 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 2 3 161 . 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 2 3 164 . 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 2 3 165 . 2 2 B 18 18 ASP H H 247 8.350 8.132 0.218 2 3 166 . 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 2 3 169 . 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 2 3 170 . 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 2 3 171 . 2 2 B 18 18 ASP N N 247 115.450 119.954 -4.504 2 3 172 . 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 2 3 173 . 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 2 3 176 . 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 2 3 177 . 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 2 3 181 . 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 2 3 182 . 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 2 3 183 . 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 2 3 187 . 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 2 3 188 . 2 2 B 20 20 ALA CB C 249 16.780 18.133 -1.353 2 3 189 . 2 2 B 20 20 ALA N N 249 121.990 121.940 0.050 2 3 190 . 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 2 3 191 . 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 2 3 196 . 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 2 3 197 . 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 2 3 199 . 2 2 B 21 21 GLU N N 250 114.110 117.845 -3.735 2 3 200 . 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 2 3 201 . 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 2 3 210 . 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 2 3 211 . 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 2 3 215 . 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 2 3 216 . 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 2 3 217 . 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 2 3 227 . 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 2 3 228 . 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 2 3 232 . 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 2 3 233 . 2 2 B 24 24 LEU H H 253 8.060 7.765 0.295 2 3 234 . 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 2 3 244 . 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 2 3 245 . 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 2 3 249 . 2 2 B 24 24 LEU N N 253 118.710 118.057 0.653 2 3 250 . 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 2 3 251 . 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 2 3 261 . 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 2 3 262 . 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 2 3 266 . 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 2 3 267 . 2 2 B 26 26 ASP H H 255 8.110 7.948 0.162 2 3 268 . 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 2 3 271 . 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 2 3 272 . 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 2 3 273 . 2 2 B 26 26 ASP N N 255 117.470 119.198 -1.728 2 3 274 . 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 2 3 275 . 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 2 3 280 . 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 2 3 281 . 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 2 3 283 . 2 2 B 27 27 THR N N 256 112.880 114.298 -1.418 2 3 284 . 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 2 3 285 . 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 2 3 286 . 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 2 3 287 . 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 2 3 288 . 2 2 B 28 28 GLY N N 257 105.350 109.638 -4.288 2 3 289 . 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 2 3 290 . 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 2 3 295 . 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 2 3 296 . 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 2 3 300 . 2 2 B 29 29 LYS N N 258 117.190 119.033 -1.843 2 3 301 . 2 2 B 30 30 GLU H H 259 8.660 8.566 0.094 2 3 302 . 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 2 3 303 . 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 2 3 304 . 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 2 3 306 . 2 2 B 30 30 GLU N N 259 124.820 121.679 3.141 2 3 307 . 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 2 3 308 . 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 2 3 309 . 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 2 3 310 . 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 2 3 311 . 2 2 B 31 31 GLY N N 260 114.020 112.760 1.260 2 3 312 . 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 2 3 313 . 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 2 3 317 . 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 2 3 318 . 2 2 B 32 32 ALA CB C 261 16.020 19.317 -3.297 2 3 319 . 2 2 B 32 32 ALA N N 261 125.860 124.173 1.687 2 3 320 . 2 2 B 33 33 PHE H H 262 8.860 8.886 -0.026 2 3 321 . 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 2 3 328 . 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 2 3 329 . 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 2 3 330 . 2 2 B 33 33 PHE N N 262 120.070 120.465 -0.395 2 3 331 . 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 2 3 332 . 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 2 3 340 . 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 2 3 341 . 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 2 3 344 . 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 2 3 345 . 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 2 3 346 . 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 2 3 354 . 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 2 3 355 . 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 2 3 358 . 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 2 3 359 . 2 2 B 36 36 ARG H H 265 9.480 9.387 0.093 2 3 360 . 2 2 B 36 36 ARG HA H 265 5.310 4.919 0.391 2 3 366 . 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 2 3 367 . 2 2 B 36 36 ARG CB C 265 31.150 34.069 -2.919 2 3 370 . 2 2 B 36 36 ARG N N 265 124.140 125.189 -1.049 2 3 372 . 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 2 3 373 . 2 2 B 37 37 ASP HA H 266 4.740 4.703 0.037 2 3 376 . 2 2 B 37 37 ASP CA C 266 52.950 54.996 -2.046 2 3 377 . 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 2 3 378 . 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 2 3 379 . 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 2 3 380 . 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 2 3 381 . 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 2 3 382 . 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 2 3 383 . 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 2 3 384 . 2 2 B 39 39 ARG H H 268 8.880 8.672 0.208 2 3 385 . 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 2 3 386 . 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 2 3 387 . 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 2 3 390 . 2 2 B 39 39 ARG N N 268 123.100 123.766 -0.666 2 3 391 . 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 2 3 392 . 2 2 B 40 40 THR HA H 269 4.340 4.458 -0.118 2 3 397 . 2 2 B 40 40 THR CA C 269 57.690 61.401 -3.711 2 3 398 . 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 2 3 400 . 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 2 3 401 . 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 2 3 408 . 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 2 3 409 . 2 2 B 41 41 PRO CB C 270 29.500 32.006 -2.506 2 3 412 . 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 2 3 413 . 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 2 3 414 . 2 2 B 42 42 GLY HA3 H 271 3.530 4.129 -0.599 2 3 415 . 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 2 3 416 . 2 2 B 42 42 GLY N N 271 111.130 106.624 4.506 2 3 417 . 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 2 3 418 . 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 2 3 423 . 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 2 3 424 . 2 2 B 43 43 THR CB C 272 69.400 69.921 -0.521 2 3 426 . 2 2 B 43 43 THR N N 272 110.850 113.788 -2.938 2 3 427 . 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 2 3 428 . 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 2 3 434 . 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 2 3 435 . 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 2 3 438 . 2 2 B 44 44 TYR N N 273 122.230 127.138 -4.908 2 3 439 . 2 2 B 45 45 THR H H 274 9.240 9.160 0.080 2 3 440 . 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 2 3 445 . 2 2 B 45 45 THR CA C 274 59.110 61.432 -2.322 2 3 446 . 2 2 B 45 45 THR CB C 274 70.390 71.637 -1.247 2 3 448 . 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 2 3 449 . 2 2 B 46 46 VAL H H 275 9.370 8.634 0.736 2 3 450 . 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 2 3 452 . 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 2 3 453 . 2 2 B 46 46 VAL CB C 275 30.970 31.163 -0.193 2 3 455 . 2 2 B 46 46 VAL N N 275 126.010 128.533 -2.523 2 3 456 . 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 2 3 457 . 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 2 3 460 . 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 2 3 461 . 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 2 3 462 . 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 2 3 463 . 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 2 3 464 . 2 2 B 48 48 VAL HA H 277 5.380 4.758 0.622 2 3 472 . 2 2 B 48 48 VAL CA C 277 56.360 61.305 -4.945 2 3 473 . 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 2 3 476 . 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 2 3 477 . 2 2 B 49 49 PHE H H 278 8.880 9.532 -0.652 2 3 478 . 2 2 B 49 49 PHE HA H 278 4.970 5.297 -0.327 2 3 484 . 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 2 3 485 . 2 2 B 49 49 PHE CB C 278 39.490 42.314 -2.824 2 3 486 . 2 2 B 49 49 PHE N N 278 128.450 128.389 0.061 2 3 487 . 2 2 B 50 50 THR H H 279 8.420 8.595 -0.175 2 3 488 . 2 2 B 50 50 THR HA H 279 4.760 4.309 0.451 2 3 493 . 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 2 3 494 . 2 2 B 50 50 THR CB C 279 68.580 72.040 -3.460 2 3 496 . 2 2 B 50 50 THR N N 279 121.640 120.610 1.030 2 3 497 . 2 2 B 51 51 LYS H H 280 10.550 8.253 2.297 2 3 498 . 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 2 3 501 . 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 2 3 502 . 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 2 3 506 . 2 2 B 51 51 LYS N N 280 130.730 126.064 4.666 2 3 507 . 2 2 B 52 52 ALA H H 281 9.110 8.580 0.530 2 3 508 . 2 2 B 52 52 ALA HA H 281 3.590 4.630 -1.040 2 3 512 . 2 2 B 52 52 ALA CA C 281 50.660 50.822 -0.162 2 3 513 . 2 2 B 52 52 ALA CB C 281 16.940 21.973 -5.033 2 3 514 . 2 2 B 52 52 ALA N N 281 122.100 126.572 -4.472 2 3 515 . 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 2 3 516 . 2 2 B 53 53 ILE HA H 282 3.860 4.031 -0.171 2 3 526 . 2 2 B 53 53 ILE CA C 282 57.290 62.323 -5.033 2 3 527 . 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 2 3 531 . 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 2 3 532 . 2 2 B 54 54 ILE H H 283 8.010 8.499 -0.489 2 3 533 . 2 2 B 54 54 ILE HA H 283 3.970 4.062 -0.092 2 3 543 . 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 2 3 544 . 2 2 B 54 54 ILE CB C 283 35.190 38.471 -3.281 2 3 548 . 2 2 B 54 54 ILE N N 283 127.060 127.887 -0.827 2 3 549 . 2 2 B 55 55 SER H H 284 7.610 7.876 -0.266 2 3 550 . 2 2 B 55 55 SER HA H 284 4.180 4.284 -0.104 2 3 553 . 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 2 3 554 . 2 2 B 55 55 SER CB C 284 60.710 62.963 -2.253 2 3 555 . 2 2 B 55 55 SER N N 284 111.910 116.513 -4.603 2 3 556 . 2 2 B 56 56 GLU H H 285 7.360 7.831 -0.471 2 3 557 . 2 2 B 56 56 GLU HA H 285 4.110 4.768 -0.658 2 3 560 . 2 2 B 56 56 GLU CA C 285 52.990 55.380 -2.390 2 3 561 . 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 2 3 563 . 2 2 B 56 56 GLU N N 285 124.910 119.108 5.802 2 3 564 . 2 2 B 57 57 ASN H H 286 7.940 9.032 -1.092 2 3 565 . 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 2 3 570 . 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 2 3 571 . 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 2 3 572 . 2 2 B 57 57 ASN N N 286 120.980 120.230 0.750 2 3 574 . 2 2 B 58 58 PRO HA H 287 4.740 4.836 -0.096 2 3 579 . 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 2 3 580 . 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 2 3 583 . 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 2 3 584 . 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 2 3 587 . 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 2 3 588 . 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 2 3 589 . 2 2 B 59 59 CYS N N 288 112.770 119.530 -6.760 2 3 590 . 2 2 B 60 60 ILE H H 289 8.170 8.653 -0.483 2 3 591 . 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 2 3 601 . 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 2 3 602 . 2 2 B 60 60 ILE CB C 289 34.160 39.050 -4.890 2 3 606 . 2 2 B 60 60 ILE N N 289 121.110 125.036 -3.926 2 3 607 . 2 2 B 61 61 LYS H H 290 8.580 9.466 -0.886 2 3 608 . 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 2 3 611 . 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 2 3 612 . 2 2 B 61 61 LYS CB C 290 32.060 33.829 -1.769 2 3 616 . 2 2 B 61 61 LYS N N 290 125.300 127.453 -2.153 2 3 617 . 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 2 3 618 . 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 2 3 623 . 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 2 3 624 . 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 2 3 627 . 2 2 B 62 62 HIS N N 291 120.770 121.641 -0.871 2 3 628 . 2 2 B 63 63 TYR H H 292 9.740 8.768 0.972 2 3 629 . 2 2 B 63 63 TYR HA H 292 4.680 4.895 -0.215 2 3 634 . 2 2 B 63 63 TYR CA C 292 53.690 56.839 -3.149 2 3 635 . 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 2 3 637 . 2 2 B 63 63 TYR N N 292 123.110 124.330 -1.220 2 3 638 . 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 2 3 639 . 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 2 3 642 . 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 2 3 643 . 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 2 3 646 . 2 2 B 64 64 HIS N N 293 125.360 126.192 -0.832 2 3 647 . 2 2 B 65 65 ILE H H 294 8.750 8.784 -0.034 2 3 648 . 2 2 B 65 65 ILE HA H 294 3.930 3.948 -0.018 2 3 658 . 2 2 B 65 65 ILE CA C 294 60.460 62.228 -1.768 2 3 659 . 2 2 B 65 65 ILE CB C 294 33.240 37.696 -4.456 2 3 663 . 2 2 B 65 65 ILE N N 294 125.070 125.868 -0.798 2 3 664 . 2 2 B 66 66 LYS H H 295 8.660 8.064 0.596 2 3 665 . 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 2 3 670 . 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 2 3 671 . 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 2 3 675 . 2 2 B 66 66 LYS N N 295 131.830 127.459 4.371 2 3 676 . 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 2 3 677 . 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 2 3 680 . 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 2 3 681 . 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 2 3 683 . 2 2 B 67 67 GLU N N 296 115.750 124.619 -8.869 2 3 684 . 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 2 3 685 . 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 2 3 690 . 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 2 3 691 . 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 2 3 693 . 2 2 B 68 68 THR N N 297 113.310 122.384 -9.074 2 3 694 . 2 2 B 69 69 ASN H H 298 8.350 8.899 -0.549 2 3 695 . 2 2 B 69 69 ASN HA H 298 4.800 4.665 0.135 2 3 700 . 2 2 B 69 69 ASN CA C 298 49.800 53.285 -3.485 2 3 701 . 2 2 B 69 69 ASN CB C 298 35.410 38.369 -2.959 2 3 702 . 2 2 B 69 69 ASN N N 298 114.870 128.084 -13.214 2 3 704 . 2 2 B 70 70 ASP H H 299 7.100 8.381 -1.281 2 3 705 . 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 2 3 708 . 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 2 3 709 . 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 2 3 710 . 2 2 B 70 70 ASP N N 299 117.030 126.148 -9.118 2 3 711 . 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 2 3 712 . 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 2 3 715 . 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 2 3 716 . 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 2 3 717 . 2 2 B 71 71 SER N N 300 112.930 115.562 -2.632 2 3 718 . 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 2 3 725 . 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 2 3 726 . 2 2 B 72 72 PRO CB C 301 32.150 31.620 0.530 2 3 729 . 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 2 3 730 . 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 2 3 733 . 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 2 3 734 . 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 2 3 738 . 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 2 3 739 . 2 2 B 74 74 ARG H H 303 7.280 8.429 -1.149 2 3 740 . 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 2 3 746 . 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 2 3 747 . 2 2 B 74 74 ARG CB C 303 30.500 32.140 -1.640 2 3 750 . 2 2 B 74 74 ARG N N 303 119.550 118.722 0.828 2 3 752 . 2 2 B 75 75 TYR H H 304 8.800 7.580 1.220 2 3 753 . 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 2 3 760 . 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 2 3 761 . 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 2 3 762 . 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 2 3 763 . 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 2 3 764 . 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 2 3 771 . 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 2 3 772 . 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 2 3 775 . 2 2 B 76 76 TYR N N 305 116.200 119.599 -3.399 2 3 776 . 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 2 3 777 . 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 2 3 785 . 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 2 3 786 . 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 2 3 789 . 2 2 B 77 77 VAL N N 306 114.290 116.871 -2.581 2 3 790 . 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 2 3 791 . 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 2 3 795 . 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 2 3 796 . 2 2 B 78 78 ALA CB C 307 19.010 21.567 -2.557 2 3 797 . 2 2 B 78 78 ALA N N 307 128.280 126.877 1.403 2 3 798 . 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 2 3 799 . 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 2 3 802 . 2 2 B 79 79 GLU CA C 308 56.960 57.808 -0.848 2 3 803 . 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 2 3 805 . 2 2 B 79 79 GLU N N 308 121.520 114.636 6.884 2 3 806 . 2 2 B 80 80 LYS H H 309 7.770 8.147 -0.377 2 3 807 . 2 2 B 80 80 LYS HA H 309 3.550 4.008 -0.458 2 3 812 . 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 2 3 813 . 2 2 B 80 80 LYS CB C 309 29.470 32.282 -2.812 2 3 817 . 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 2 3 818 . 2 2 B 81 81 TYR H H 310 7.770 7.779 -0.009 2 3 819 . 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 2 3 826 . 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 2 3 827 . 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 2 3 830 . 2 2 B 81 81 TYR N N 310 120.440 115.355 5.085 2 3 831 . 2 2 B 82 82 VAL H H 311 7.200 8.376 -1.176 2 3 832 . 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 2 3 840 . 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 2 3 841 . 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 2 3 844 . 2 2 B 82 82 VAL N N 311 121.020 120.281 0.739 2 3 845 . 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 2 3 846 . 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 2 3 854 . 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 2 3 855 . 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 2 3 856 . 2 2 B 83 83 PHE N N 312 121.070 125.031 -3.961 2 3 857 . 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 2 3 858 . 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 2 3 861 . 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 2 3 862 . 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 2 3 863 . 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 2 3 864 . 2 2 B 85 85 SER H H 314 7.600 8.004 -0.404 2 3 865 . 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 2 3 868 . 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 2 3 869 . 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 2 3 870 . 2 2 B 85 85 SER N N 314 110.480 113.543 -3.063 2 3 871 . 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 2 3 872 . 2 2 B 86 86 ILE HA H 315 3.490 3.886 -0.396 2 3 882 . 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 2 3 883 . 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 2 3 887 . 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 2 3 888 . 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 2 3 895 . 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 2 3 896 . 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 2 3 899 . 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 2 3 900 . 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 2 3 910 . 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 2 3 911 . 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 2 3 915 . 2 2 B 88 88 LEU N N 317 116.370 116.534 -0.164 2 3 916 . 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 2 3 917 . 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 2 3 927 . 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 2 3 928 . 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 2 3 932 . 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 2 3 933 . 2 2 B 90 90 ILE H H 319 7.860 7.543 0.317 2 3 934 . 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 2 3 944 . 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 2 3 945 . 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 2 3 949 . 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 2 3 950 . 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 2 3 951 . 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 2 3 958 . 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 2 3 959 . 2 2 B 91 91 GLN CB C 320 26.080 28.488 -2.408 2 3 961 . 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 2 3 963 . 2 2 B 92 92 TYR H H 321 7.510 8.101 -0.591 2 3 964 . 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 2 3 971 . 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 2 3 972 . 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 2 3 973 . 2 2 B 92 92 TYR N N 321 118.690 121.712 -3.022 2 3 974 . 2 2 B 93 93 HIS H H 322 7.600 7.649 -0.049 2 3 975 . 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 2 3 981 . 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 2 3 982 . 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 2 3 985 . 2 2 B 93 93 HIS N N 322 116.790 117.193 -0.403 2 3 986 . 2 2 B 94 94 GLN H H 323 7.550 7.701 -0.151 2 3 987 . 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 2 3 993 . 2 2 B 94 94 GLN CA C 323 54.890 58.310 -3.420 2 3 994 . 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 2 3 996 . 2 2 B 94 94 GLN N N 323 119.440 119.097 0.343 2 3 998 . 2 2 B 95 95 TYR H H 324 6.720 7.481 -0.761 2 3 999 . 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 2 3 1004 . 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 2 3 1005 . 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 2 3 1008 . 2 2 B 95 95 TYR N N 324 114.850 117.250 -2.400 2 3 1009 . 2 2 B 96 96 ASN H H 325 7.520 8.967 -1.447 2 3 1010 . 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 2 3 1015 . 2 2 B 96 96 ASN CA C 325 49.420 55.163 -5.743 2 3 1016 . 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 2 3 1017 . 2 2 B 96 96 ASN N N 325 117.860 120.738 -2.878 2 3 1019 . 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 2 3 1020 . 2 2 B 97 97 GLY CA C 326 43.670 45.134 -1.464 2 3 1021 . 2 2 B 97 97 GLY N N 326 109.820 108.612 1.208 2 3 1022 . 2 2 B 98 98 GLY H H 327 8.210 8.807 -0.597 2 3 1023 . 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 2 3 1024 . 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 2 3 1025 . 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 2 3 1026 . 2 2 B 98 98 GLY N N 327 107.360 111.323 -3.963 2 3 1027 . 2 2 B 99 99 GLY H H 328 8.240 9.026 -0.786 2 3 1028 . 2 2 B 99 99 GLY HA2 H 328 4.090 3.945 0.145 2 3 1029 . 2 2 B 99 99 GLY HA3 H 328 3.510 3.989 -0.479 2 3 1030 . 2 2 B 99 99 GLY CA C 328 42.500 46.642 -4.142 2 3 1031 . 2 2 B 99 99 GLY N N 328 106.540 108.149 -1.609 2 3 1032 . 2 2 B 100 100 LEU H H 329 7.650 7.121 0.529 2 3 1033 . 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 2 3 1043 . 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 2 3 1044 . 2 2 B 100 100 LEU CB C 329 40.320 45.061 -4.741 2 3 1048 . 2 2 B 100 100 LEU N N 329 119.150 120.151 -1.001 2 3 1049 . 2 2 B 101 101 VAL H H 330 7.390 8.542 -1.152 2 3 1050 . 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 2 3 1055 . 2 2 B 101 101 VAL CA C 330 60.910 64.439 -3.529 2 3 1056 . 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 2 3 1058 . 2 2 B 101 101 VAL N N 330 114.690 125.339 -10.649 2 3 1059 . 2 2 B 102 102 THR H H 331 6.930 7.455 -0.525 2 3 1060 . 2 2 B 102 102 THR HA H 331 4.260 4.551 -0.291 2 3 1065 . 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 2 3 1066 . 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 2 3 1068 . 2 2 B 102 102 THR N N 331 112.890 107.996 4.894 2 3 1069 . 2 2 B 103 103 ARG H H 332 7.390 7.897 -0.507 2 3 1070 . 2 2 B 103 103 ARG HA H 332 3.960 3.997 -0.037 2 3 1073 . 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 2 3 1074 . 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 2 3 1077 . 2 2 B 103 103 ARG N N 332 120.110 118.243 1.867 2 3 1078 . 2 2 B 104 104 LEU H H 333 7.350 7.891 -0.541 2 3 1079 . 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 2 3 1089 . 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 2 3 1090 . 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 2 3 1094 . 2 2 B 104 104 LEU N N 333 119.490 125.040 -5.550 2 3 1095 . 2 2 B 105 105 ARG H H 334 8.170 8.832 -0.662 2 3 1096 . 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 2 3 1097 . 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 2 3 1098 . 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 2 3 1101 . 2 2 B 105 105 ARG N N 334 122.170 125.630 -3.460 2 3 1102 . 2 2 B 106 106 TYR H H 335 7.610 7.867 -0.257 2 3 1103 . 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 2 3 1108 . 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 2 3 1109 . 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 2 3 1110 . 2 2 B 106 106 TYR N N 335 118.130 118.541 -0.411 2 3 1111 . 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 2 3 1118 . 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 2 3 1119 . 2 2 B 107 107 PRO CB C 336 30.010 32.184 -2.174 2 3 1122 . 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 2 3 1123 . 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 2 3 1131 . 2 2 B 108 108 VAL CA C 337 59.350 60.353 -1.003 2 3 1132 . 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 2 3 1135 . 2 2 B 108 108 VAL N N 337 124.750 120.080 4.670 2 3 1136 . 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 2 3 1137 . 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 2 3 1140 . 2 2 B 109 109 CYS CA C 338 54.760 57.308 -2.548 2 3 1141 . 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 2 3 1142 . 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 2 4 4 . 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 2 4 5 . 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 2 4 6 . 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 2 4 7 . 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 2 4 12 . 1 1 A 3 3 PRO C C 171 174.250 176.958 -2.708 2 4 13 . 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 2 4 14 . 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 2 4 17 . 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 2 4 18 . 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 2 4 23 . 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 2 4 24 . 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 2 4 25 . 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 2 4 27 . 1 1 A 4 4 GLU N N 172 119.340 115.861 3.479 2 4 28 . 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 2 4 29 . 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 2 4 32 . 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 2 4 33 . 1 1 A 5 5 GLU CA C 173 54.170 54.761 -0.591 2 4 34 . 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 2 4 36 . 1 1 A 5 5 GLU N N 173 120.540 116.496 4.044 2 4 37 . 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 2 4 38 . 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 2 4 43 . 1 1 A 6 6 THR C C 174 170.120 172.506 -2.386 2 4 44 . 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 2 4 45 . 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 2 4 47 . 1 1 A 6 6 THR N N 174 118.970 114.961 4.009 2 4 48 . 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 2 4 49 . 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 2 4 59 . 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 2 4 60 . 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 2 4 61 . 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 2 4 65 . 1 1 A 7 7 LEU N N 175 127.150 123.771 3.379 2 4 66 . 1 1 A 8 8 VAL H H 176 9.210 8.934 0.276 2 4 67 . 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 2 4 75 . 1 1 A 8 8 VAL C C 176 170.850 174.626 -3.776 2 4 76 . 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 2 4 77 . 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 2 4 80 . 1 1 A 8 8 VAL N N 176 114.580 117.405 -2.825 2 4 81 . 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 2 4 82 . 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 2 4 92 . 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 2 4 93 . 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 2 4 94 . 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 2 4 98 . 1 1 A 9 9 ILE N N 177 120.620 121.748 -1.128 2 4 99 . 1 1 A 10 10 ALA H H 178 8.170 8.492 -0.322 2 4 100 . 1 1 A 10 10 ALA HA H 178 4.980 4.747 0.233 2 4 104 . 1 1 A 10 10 ALA C C 178 176.180 178.181 -2.001 2 4 105 . 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 2 4 106 . 1 1 A 10 10 ALA CB C 178 17.340 19.050 -1.710 2 4 107 . 1 1 A 10 10 ALA N N 178 125.400 128.303 -2.903 2 4 108 . 1 1 A 11 11 LEU H H 179 9.280 8.578 0.702 2 4 109 . 1 1 A 11 11 LEU HA H 179 3.890 3.910 -0.020 2 4 119 . 1 1 A 11 11 LEU C C 179 172.780 176.318 -3.538 2 4 120 . 1 1 A 11 11 LEU CA C 179 52.830 57.091 -4.261 2 4 121 . 1 1 A 11 11 LEU CB C 179 41.260 41.785 -0.525 2 4 125 . 1 1 A 11 11 LEU N N 179 125.950 125.563 0.387 2 4 126 . 1 1 A 12 12 TYR H H 180 7.050 7.706 -0.656 2 4 127 . 1 1 A 12 12 TYR HA H 180 4.540 4.827 -0.287 2 4 130 . 1 1 A 12 12 TYR C C 180 171.060 174.333 -3.273 2 4 131 . 1 1 A 12 12 TYR CA C 180 50.730 56.866 -6.136 2 4 132 . 1 1 A 12 12 TYR CB C 180 40.100 41.489 -1.389 2 4 133 . 1 1 A 12 12 TYR N N 180 112.080 115.131 -3.051 2 4 134 . 1 1 A 13 13 ASP H H 181 8.080 8.608 -0.528 2 4 135 . 1 1 A 13 13 ASP HA H 181 4.480 4.882 -0.402 2 4 138 . 1 1 A 13 13 ASP C C 181 173.220 174.583 -1.363 2 4 139 . 1 1 A 13 13 ASP CA C 181 51.870 52.980 -1.110 2 4 140 . 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 2 4 141 . 1 1 A 13 13 ASP N N 181 117.790 122.332 -4.542 2 4 142 . 1 1 A 14 14 TYR H H 182 8.630 8.775 -0.145 2 4 143 . 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 2 4 144 . 1 1 A 14 14 TYR C C 182 171.110 175.149 -4.039 2 4 145 . 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 2 4 146 . 1 1 A 14 14 TYR CB C 182 38.790 39.940 -1.150 2 4 147 . 1 1 A 14 14 TYR N N 182 121.410 127.856 -6.446 2 4 148 . 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 2 4 149 . 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 2 4 154 . 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 2 4 155 . 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 2 4 156 . 1 1 A 15 15 GLN CB C 183 26.820 32.322 -5.502 2 4 158 . 1 1 A 15 15 GLN N N 183 125.990 126.069 -0.079 2 4 160 . 1 1 A 16 16 THR H H 184 7.780 9.051 -1.271 2 4 161 . 1 1 A 16 16 THR HA H 184 4.240 4.579 -0.339 2 4 166 . 1 1 A 16 16 THR C C 184 169.150 174.428 -5.278 2 4 167 . 1 1 A 16 16 THR CA C 184 56.900 62.175 -5.275 2 4 168 . 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 2 4 170 . 1 1 A 16 16 THR N N 184 115.350 119.979 -4.629 2 4 171 . 1 1 A 17 17 ASN H H 185 8.550 9.147 -0.597 2 4 172 . 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 2 4 177 . 1 1 A 17 17 ASN C C 185 171.880 174.524 -2.644 2 4 178 . 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 2 4 179 . 1 1 A 17 17 ASN CB C 185 37.270 40.301 -3.031 2 4 180 . 1 1 A 17 17 ASN N N 185 122.730 120.486 2.244 2 4 182 . 1 1 A 18 18 ASP H H 186 8.440 7.711 0.729 2 4 183 . 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 2 4 186 . 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 2 4 187 . 1 1 A 18 18 ASP CB C 186 40.480 42.768 -2.288 2 4 188 . 1 1 A 18 18 ASP N N 186 125.820 118.036 7.784 2 4 189 . 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 2 4 194 . 1 1 A 19 19 PRO C C 187 174.890 178.825 -3.935 2 4 195 . 1 1 A 19 19 PRO CA C 187 61.870 65.471 -3.601 2 4 196 . 1 1 A 19 19 PRO CB C 187 29.790 31.679 -1.889 2 4 199 . 1 1 A 20 20 GLN H H 188 8.800 8.540 0.260 2 4 200 . 1 1 A 20 20 GLN HA H 188 4.470 4.020 0.450 2 4 205 . 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 2 4 206 . 1 1 A 20 20 GLN CA C 188 53.450 59.197 -5.747 2 4 207 . 1 1 A 20 20 GLN CB C 188 27.170 28.296 -1.126 2 4 209 . 1 1 A 20 20 GLN N N 188 115.800 117.172 -1.372 2 4 211 . 1 1 A 21 21 GLU H H 189 7.890 7.830 0.060 2 4 212 . 1 1 A 21 21 GLU HA H 189 5.340 4.618 0.722 2 4 215 . 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 2 4 216 . 1 1 A 21 21 GLU CA C 189 52.400 57.208 -4.808 2 4 217 . 1 1 A 21 21 GLU CB C 189 31.190 30.290 0.900 2 4 219 . 1 1 A 21 21 GLU N N 189 120.420 118.174 2.246 2 4 220 . 1 1 A 22 22 LEU H H 190 8.050 8.626 -0.576 2 4 221 . 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 2 4 231 . 1 1 A 22 22 LEU C C 190 170.880 176.657 -5.777 2 4 232 . 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 2 4 233 . 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 2 4 237 . 1 1 A 22 22 LEU N N 190 122.970 124.700 -1.730 2 4 238 . 1 1 A 23 23 ALA H H 191 7.780 8.616 -0.836 2 4 239 . 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 2 4 243 . 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 2 4 244 . 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 2 4 245 . 1 1 A 23 23 ALA CB C 191 16.330 19.217 -2.887 2 4 246 . 1 1 A 23 23 ALA N N 191 124.710 128.088 -3.378 2 4 247 . 1 1 A 24 24 LEU H H 192 8.540 8.944 -0.404 2 4 248 . 1 1 A 24 24 LEU HA H 192 4.930 5.401 -0.471 2 4 258 . 1 1 A 24 24 LEU C C 192 175.040 175.714 -0.674 2 4 259 . 1 1 A 24 24 LEU CA C 192 50.000 53.379 -3.379 2 4 260 . 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 2 4 264 . 1 1 A 24 24 LEU N N 192 117.070 121.079 -4.009 2 4 265 . 1 1 A 25 25 ARG H H 193 8.230 8.848 -0.618 2 4 266 . 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 2 4 271 . 1 1 A 25 25 ARG C C 193 171.470 174.174 -2.704 2 4 272 . 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 2 4 273 . 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 2 4 276 . 1 1 A 25 25 ARG N N 193 123.480 120.228 3.252 2 4 278 . 1 1 A 26 26 CYS H H 194 8.850 8.520 0.330 2 4 279 . 1 1 A 26 26 CYS HA H 194 3.260 4.532 -1.272 2 4 280 . 1 1 A 26 26 CYS C C 194 172.080 175.291 -3.211 2 4 281 . 1 1 A 26 26 CYS CA C 194 58.800 59.411 -0.611 2 4 282 . 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 2 4 283 . 1 1 A 26 26 CYS N N 194 122.990 123.155 -0.165 2 4 284 . 1 1 A 27 27 ASP H H 195 8.890 8.957 -0.067 2 4 285 . 1 1 A 27 27 ASP HA H 195 4.140 4.172 -0.032 2 4 288 . 1 1 A 27 27 ASP C C 195 172.460 174.137 -1.677 2 4 289 . 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 2 4 290 . 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 2 4 291 . 1 1 A 27 27 ASP N N 195 120.590 120.570 0.020 2 4 292 . 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 2 4 293 . 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 2 4 294 . 1 1 A 28 28 GLU C C 196 170.880 175.096 -4.216 2 4 295 . 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 2 4 296 . 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 2 4 298 . 1 1 A 28 28 GLU N N 196 122.550 118.800 3.750 2 4 299 . 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 2 4 300 . 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 2 4 303 . 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 2 4 304 . 1 1 A 29 29 GLU CA C 197 51.660 54.328 -2.668 2 4 305 . 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 2 4 307 . 1 1 A 29 29 GLU N N 197 119.290 124.479 -5.189 2 4 308 . 1 1 A 30 30 TYR H H 198 9.100 8.857 0.243 2 4 309 . 1 1 A 30 30 TYR HA H 198 4.400 5.147 -0.747 2 4 312 . 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 2 4 313 . 1 1 A 30 30 TYR CA C 198 53.850 56.456 -2.606 2 4 314 . 1 1 A 30 30 TYR CB C 198 39.430 43.581 -4.151 2 4 315 . 1 1 A 30 30 TYR N N 198 119.140 119.072 0.068 2 4 316 . 1 1 A 31 31 TYR H H 199 9.210 8.759 0.451 2 4 317 . 1 1 A 31 31 TYR HA H 199 4.820 5.363 -0.543 2 4 320 . 1 1 A 31 31 TYR C C 199 173.490 174.751 -1.261 2 4 321 . 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 2 4 322 . 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 2 4 323 . 1 1 A 31 31 TYR N N 199 119.550 118.572 0.978 2 4 324 . 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 2 4 325 . 1 1 A 32 32 LEU HA H 200 4.320 5.210 -0.890 2 4 335 . 1 1 A 32 32 LEU C C 200 172.580 175.669 -3.089 2 4 336 . 1 1 A 32 32 LEU CA C 200 52.210 53.650 -1.440 2 4 337 . 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 2 4 341 . 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 2 4 342 . 1 1 A 33 33 LEU H H 201 8.780 8.767 0.013 2 4 343 . 1 1 A 33 33 LEU HA H 201 4.380 4.631 -0.251 2 4 353 . 1 1 A 33 33 LEU C C 201 174.860 176.979 -2.119 2 4 354 . 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 2 4 355 . 1 1 A 33 33 LEU CB C 201 39.770 43.724 -3.954 2 4 359 . 1 1 A 33 33 LEU N N 201 127.460 126.843 0.617 2 4 360 . 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 2 4 361 . 1 1 A 34 34 ASP HA H 202 4.670 4.910 -0.240 2 4 362 . 1 1 A 34 34 ASP C C 202 172.400 175.953 -3.553 2 4 363 . 1 1 A 34 34 ASP CA C 202 52.100 53.153 -1.053 2 4 364 . 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 2 4 365 . 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 2 4 366 . 1 1 A 35 35 SER H H 203 9.020 8.865 0.155 2 4 367 . 1 1 A 35 35 SER HA H 203 4.260 3.979 0.281 2 4 370 . 1 1 A 35 35 SER C C 203 171.380 176.494 -5.114 2 4 371 . 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 2 4 372 . 1 1 A 35 35 SER CB C 203 59.710 62.943 -3.233 2 4 373 . 1 1 A 35 35 SER N N 203 123.910 121.633 2.277 2 4 374 . 1 1 A 36 36 SER H H 204 8.530 7.437 1.093 2 4 375 . 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 2 4 378 . 1 1 A 36 36 SER C C 204 172.840 175.246 -2.406 2 4 379 . 1 1 A 36 36 SER CA C 204 59.360 61.489 -2.129 2 4 380 . 1 1 A 36 36 SER CB C 204 60.710 62.510 -1.800 2 4 381 . 1 1 A 36 36 SER N N 204 118.780 113.962 4.818 2 4 382 . 1 1 A 37 37 GLU H H 205 8.820 7.769 1.051 2 4 383 . 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 2 4 386 . 1 1 A 37 37 GLU C C 205 173.900 176.296 -2.396 2 4 387 . 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 2 4 388 . 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 2 4 390 . 1 1 A 37 37 GLU N N 205 122.890 121.799 1.091 2 4 391 . 1 1 A 38 38 ILE H H 206 8.150 8.124 0.026 2 4 392 . 1 1 A 38 38 ILE HA H 206 3.760 3.933 -0.173 2 4 402 . 1 1 A 38 38 ILE C C 206 176.060 177.509 -1.449 2 4 403 . 1 1 A 38 38 ILE CA C 206 62.050 63.405 -1.355 2 4 404 . 1 1 A 38 38 ILE CB C 206 35.420 37.557 -2.137 2 4 408 . 1 1 A 38 38 ILE N N 206 116.810 123.195 -6.385 2 4 409 . 1 1 A 39 39 HIS H H 207 8.440 6.705 1.735 2 4 410 . 1 1 A 39 39 HIS HA H 207 4.150 4.129 0.021 2 4 416 . 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 2 4 417 . 1 1 A 39 39 HIS CA C 207 55.690 58.120 -2.430 2 4 418 . 1 1 A 39 39 HIS CB C 207 29.140 29.407 -0.267 2 4 421 . 1 1 A 39 39 HIS N N 207 116.600 118.204 -1.604 2 4 422 . 1 1 A 40 40 TRP H H 208 7.100 8.415 -1.315 2 4 423 . 1 1 A 40 40 TRP HA H 208 4.810 5.084 -0.274 2 4 432 . 1 1 A 40 40 TRP C C 208 171.200 175.152 -3.952 2 4 433 . 1 1 A 40 40 TRP CA C 208 53.660 55.460 -1.800 2 4 434 . 1 1 A 40 40 TRP CB C 208 29.830 32.197 -2.367 2 4 440 . 1 1 A 40 40 TRP N N 208 119.390 117.248 2.142 2 4 442 . 1 1 A 41 41 TRP H H 209 9.270 8.738 0.532 2 4 443 . 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 2 4 452 . 1 1 A 41 41 TRP C C 209 172.020 176.077 -4.057 2 4 453 . 1 1 A 41 41 TRP CA C 209 50.600 55.725 -5.125 2 4 454 . 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 2 4 460 . 1 1 A 41 41 TRP N N 209 123.790 122.698 1.092 2 4 462 . 1 1 A 42 42 ARG H H 210 8.800 8.912 -0.112 2 4 463 . 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 2 4 468 . 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 2 4 469 . 1 1 A 42 42 ARG CA C 210 53.180 57.315 -4.135 2 4 470 . 1 1 A 42 42 ARG CB C 210 29.280 31.059 -1.779 2 4 473 . 1 1 A 42 42 ARG N N 210 123.290 125.391 -2.101 2 4 475 . 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 2 4 476 . 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 2 4 484 . 1 1 A 43 43 VAL C C 211 170.440 173.631 -3.191 2 4 485 . 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 2 4 486 . 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 2 4 489 . 1 1 A 43 43 VAL N N 211 121.460 118.623 2.837 2 4 490 . 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 2 4 491 . 1 1 A 44 44 GLN HA H 212 5.620 5.055 0.565 2 4 498 . 1 1 A 44 44 GLN C C 212 172.900 174.839 -1.939 2 4 499 . 1 1 A 44 44 GLN CA C 212 50.830 54.326 -3.496 2 4 500 . 1 1 A 44 44 GLN CB C 212 32.450 31.917 0.533 2 4 502 . 1 1 A 44 44 GLN N N 212 119.220 121.842 -2.622 2 4 504 . 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 2 4 505 . 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 2 4 508 . 1 1 A 45 45 ASP C C 213 175.510 177.600 -2.090 2 4 509 . 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 2 4 510 . 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 2 4 511 . 1 1 A 45 45 ASP N N 213 125.570 128.049 -2.479 2 4 512 . 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 2 4 513 . 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 2 4 516 . 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 2 4 517 . 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 2 4 518 . 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 2 4 522 . 1 1 A 46 46 LYS N N 214 117.280 125.853 -8.573 2 4 523 . 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 2 4 524 . 1 1 A 47 47 ASN HA H 215 4.800 4.667 0.133 2 4 529 . 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 2 4 530 . 1 1 A 47 47 ASN CA C 215 50.400 53.894 -3.494 2 4 531 . 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 2 4 532 . 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 2 4 534 . 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 2 4 535 . 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 2 4 536 . 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 2 4 537 . 1 1 A 48 48 GLY C C 216 171.670 174.563 -2.893 2 4 538 . 1 1 A 48 48 GLY CA C 216 42.750 45.507 -2.757 2 4 539 . 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 2 4 540 . 1 1 A 49 49 HIS H H 217 8.490 7.992 0.498 2 4 541 . 1 1 A 49 49 HIS HA H 217 4.590 4.565 0.025 2 4 547 . 1 1 A 49 49 HIS C C 217 171.140 173.859 -2.719 2 4 548 . 1 1 A 49 49 HIS CA C 217 53.480 55.543 -2.063 2 4 549 . 1 1 A 49 49 HIS CB C 217 26.840 29.727 -2.887 2 4 552 . 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 2 4 553 . 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 2 4 554 . 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 2 4 557 . 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 2 4 558 . 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 2 4 559 . 1 1 A 50 50 GLU CB C 218 32.050 32.020 0.030 2 4 561 . 1 1 A 50 50 GLU N N 218 120.320 122.467 -2.147 2 4 562 . 1 1 A 51 51 GLY H H 219 8.500 8.399 0.101 2 4 563 . 1 1 A 51 51 GLY HA2 H 219 3.810 4.006 -0.196 2 4 564 . 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 2 4 565 . 1 1 A 51 51 GLY C C 219 167.980 171.163 -3.183 2 4 566 . 1 1 A 51 51 GLY CA C 219 42.690 45.540 -2.850 2 4 567 . 1 1 A 51 51 GLY N N 219 106.290 108.578 -2.288 2 4 568 . 1 1 A 52 52 TYR H H 220 8.820 8.486 0.334 2 4 569 . 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 2 4 572 . 1 1 A 52 52 TYR C C 220 172.610 176.230 -3.620 2 4 573 . 1 1 A 52 52 TYR CA C 220 56.520 58.735 -2.215 2 4 574 . 1 1 A 52 52 TYR CB C 220 38.570 39.521 -0.951 2 4 575 . 1 1 A 52 52 TYR N N 220 118.140 119.720 -1.580 2 4 576 . 1 1 A 53 53 ALA H H 221 9.360 9.041 0.319 2 4 577 . 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 2 4 581 . 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 2 4 582 . 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 2 4 583 . 1 1 A 53 53 ALA N N 221 122.380 126.259 -3.879 2 4 584 . 1 1 A 54 54 PRO HA H 222 3.360 3.756 -0.396 2 4 591 . 1 1 A 54 54 PRO C C 222 175.570 176.146 -0.576 2 4 592 . 1 1 A 54 54 PRO CA C 222 58.950 62.377 -3.427 2 4 593 . 1 1 A 54 54 PRO CB C 222 28.140 32.727 -4.587 2 4 596 . 1 1 A 55 55 SER H H 223 7.520 8.256 -0.736 2 4 597 . 1 1 A 55 55 SER HA H 223 2.610 3.373 -0.763 2 4 600 . 1 1 A 55 55 SER C C 223 173.660 176.072 -2.412 2 4 601 . 1 1 A 55 55 SER CA C 223 57.510 59.959 -2.449 2 4 602 . 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 2 4 603 . 1 1 A 55 55 SER N N 223 121.830 117.434 4.396 2 4 604 . 1 1 A 56 56 SER H H 224 8.110 7.693 0.417 2 4 605 . 1 1 A 56 56 SER HA H 224 3.990 4.063 -0.073 2 4 608 . 1 1 A 56 56 SER C C 224 172.670 175.737 -3.067 2 4 609 . 1 1 A 56 56 SER CA C 224 57.610 62.130 -4.520 2 4 610 . 1 1 A 56 56 SER CB C 224 60.270 63.030 -2.760 2 4 611 . 1 1 A 56 56 SER N N 224 115.290 116.511 -1.221 2 4 612 . 1 1 A 57 57 TYR H H 225 7.400 7.427 -0.027 2 4 613 . 1 1 A 57 57 TYR HA H 225 4.440 4.524 -0.084 2 4 616 . 1 1 A 57 57 TYR C C 225 171.350 175.197 -3.847 2 4 617 . 1 1 A 57 57 TYR CA C 225 55.160 60.093 -4.933 2 4 618 . 1 1 A 57 57 TYR CB C 225 35.600 38.667 -3.067 2 4 619 . 1 1 A 57 57 TYR N N 225 121.550 118.662 2.888 2 4 620 . 1 1 A 58 58 LEU H H 226 7.330 7.613 -0.283 2 4 621 . 1 1 A 58 58 LEU HA H 226 5.240 5.131 0.109 2 4 631 . 1 1 A 58 58 LEU C C 226 172.260 175.831 -3.571 2 4 632 . 1 1 A 58 58 LEU CA C 226 51.250 53.637 -2.387 2 4 633 . 1 1 A 58 58 LEU CB C 226 44.760 44.846 -0.086 2 4 637 . 1 1 A 58 58 LEU N N 226 120.810 120.486 0.324 2 4 638 . 1 1 A 59 59 VAL H H 227 8.500 8.924 -0.424 2 4 639 . 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 2 4 647 . 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 2 4 648 . 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 2 4 649 . 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 2 4 652 . 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 2 4 653 . 1 1 A 60 60 GLU H H 228 8.910 8.618 0.292 2 4 654 . 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 2 4 657 . 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 2 4 658 . 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 2 4 659 . 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 2 4 661 . 1 1 A 60 60 GLU N N 228 124.940 124.518 0.422 2 4 662 . 1 1 A 61 61 LYS H H 229 8.310 9.416 -1.106 2 4 663 . 1 1 A 61 61 LYS HA H 229 4.070 3.813 0.257 2 4 670 . 1 1 A 61 61 LYS C C 229 173.400 176.319 -2.919 2 4 671 . 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 2 4 672 . 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 2 4 676 . 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 2 4 677 . 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 2 4 678 . 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 2 4 681 . 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 2 4 682 . 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 2 4 683 . 1 1 A 62 62 SER N N 230 121.050 114.265 6.785 2 stop_ save_