data_16093_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16093 _Entry.PDB_ID 2KCQ _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 20 _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 1 1 A 2 2 LYS H H 2 9.020 9.471 -0.451 1 1 14 . 1 1 1 A 2 2 LYS HA H 2 5.640 5.198 0.442 1 1 23 . 1 1 1 A 2 2 LYS CA C 2 53.700 56.063 -2.363 1 1 24 . 1 1 1 A 2 2 LYS CB C 2 34.900 33.623 1.277 1 1 28 . 1 1 1 A 2 2 LYS N N 2 125.700 127.389 -1.689 1 1 29 . 1 1 1 A 3 3 THR H H 3 8.850 8.719 0.131 1 1 30 . 1 1 1 A 3 3 THR HA H 3 4.660 4.834 -0.174 1 1 36 . 1 1 1 A 3 3 THR CA C 3 61.600 60.612 0.988 1 1 37 . 1 1 1 A 3 3 THR CB C 3 68.200 71.563 -3.363 1 1 39 . 1 1 1 A 3 3 THR N N 3 117.000 115.847 1.153 1 1 40 . 1 1 1 A 4 4 THR H H 4 8.100 8.416 -0.316 1 1 41 . 1 1 1 A 4 4 THR HA H 4 4.790 4.937 -0.147 1 1 46 . 1 1 1 A 4 4 THR CA C 4 58.500 59.119 -0.619 1 1 47 . 1 1 1 A 4 4 THR CB C 4 68.400 69.404 -1.004 1 1 49 . 1 1 1 A 4 4 THR N N 4 110.200 116.007 -5.807 1 1 50 . 1 1 1 A 5 5 PRO HA H 5 4.110 4.139 -0.029 1 1 57 . 1 1 1 A 5 5 PRO CA C 5 65.300 65.693 -0.393 1 1 58 . 1 1 1 A 5 5 PRO CB C 5 31.800 31.590 0.210 1 1 61 . 1 1 1 A 6 6 ASP H H 6 8.530 8.789 -0.259 1 1 62 . 1 1 1 A 6 6 ASP HA H 6 4.350 4.366 -0.016 1 1 65 . 1 1 1 A 6 6 ASP CA C 6 56.300 56.327 -0.027 1 1 66 . 1 1 1 A 6 6 ASP CB C 6 39.500 39.307 0.193 1 1 67 . 1 1 1 A 6 6 ASP N N 6 114.600 115.773 -1.173 1 1 68 . 1 1 1 A 7 7 ILE H H 7 7.270 7.587 -0.317 1 1 69 . 1 1 1 A 7 7 ILE HA H 7 3.620 3.687 -0.067 1 1 79 . 1 1 1 A 7 7 ILE CA C 7 61.900 64.917 -3.017 1 1 80 . 1 1 1 A 7 7 ILE CB C 7 34.900 38.040 -3.140 1 1 84 . 1 1 1 A 7 7 ILE N N 7 121.700 121.446 0.254 1 1 85 . 1 1 1 A 8 8 LEU H H 8 6.960 8.194 -1.234 1 1 86 . 1 1 1 A 8 8 LEU HA H 8 3.710 3.791 -0.081 1 1 96 . 1 1 1 A 8 8 LEU CA C 8 57.800 58.004 -0.204 1 1 97 . 1 1 1 A 8 8 LEU CB C 8 39.900 41.221 -1.321 1 1 101 . 1 1 1 A 8 8 LEU N N 8 117.200 119.819 -2.619 1 1 102 . 1 1 1 A 9 9 ASP H H 9 8.220 8.215 0.005 1 1 103 . 1 1 1 A 9 9 ASP HA H 9 4.330 4.224 0.106 1 1 106 . 1 1 1 A 9 9 ASP CA C 9 57.600 57.899 -0.299 1 1 107 . 1 1 1 A 9 9 ASP CB C 9 40.100 41.177 -1.077 1 1 108 . 1 1 1 A 9 9 ASP N N 9 117.600 119.470 -1.870 1 1 109 . 1 1 1 A 10 10 GLN H H 10 7.630 7.828 -0.198 1 1 110 . 1 1 1 A 10 10 GLN HA H 10 3.850 3.942 -0.092 1 1 117 . 1 1 1 A 10 10 GLN CA C 10 59.200 58.575 0.625 1 1 118 . 1 1 1 A 10 10 GLN CB C 10 29.300 28.177 1.123 1 1 120 . 1 1 1 A 10 10 GLN N N 10 118.700 117.830 0.870 1 1 122 . 1 1 1 A 11 11 ILE H H 11 7.590 8.009 -0.419 1 1 123 . 1 1 1 A 11 11 ILE HA H 11 2.960 3.651 -0.691 1 1 133 . 1 1 1 A 11 11 ILE CA C 11 65.800 64.800 1.000 1 1 134 . 1 1 1 A 11 11 ILE CB C 11 37.500 37.453 0.047 1 1 138 . 1 1 1 A 11 11 ILE N N 11 121.700 120.997 0.703 1 1 139 . 1 1 1 A 12 12 ARG H H 12 7.720 7.831 -0.111 1 1 140 . 1 1 1 A 12 12 ARG HA H 12 3.610 3.997 -0.387 1 1 147 . 1 1 1 A 12 12 ARG CA C 12 61.300 58.631 2.669 1 1 148 . 1 1 1 A 12 12 ARG CB C 12 30.100 29.716 0.384 1 1 151 . 1 1 1 A 12 12 ARG N N 12 118.400 120.481 -2.081 1 1 152 . 1 1 1 A 13 13 VAL H H 13 8.480 7.893 0.587 1 1 153 . 1 1 1 A 13 13 VAL HA H 13 3.640 3.512 0.128 1 1 161 . 1 1 1 A 13 13 VAL CA C 13 66.400 66.205 0.195 1 1 162 . 1 1 1 A 13 13 VAL CB C 13 31.600 31.470 0.130 1 1 165 . 1 1 1 A 13 13 VAL N N 13 118.400 120.876 -2.476 1 1 166 . 1 1 1 A 14 14 HIS H H 14 7.790 8.021 -0.231 1 1 167 . 1 1 1 A 14 14 HIS HA H 14 4.620 4.344 0.276 1 1 172 . 1 1 1 A 14 14 HIS CA C 14 57.500 58.229 -0.729 1 1 173 . 1 1 1 A 14 14 HIS CB C 14 31.100 28.522 2.578 1 1 176 . 1 1 1 A 14 14 HIS N N 14 119.600 117.527 2.073 1 1 177 . 1 1 1 A 15 15 GLY H H 15 8.290 8.124 0.166 1 1 178 . 1 1 1 A 15 15 GLY HA2 H 15 3.400 3.713 -0.313 1 1 179 . 1 1 1 A 15 15 GLY HA3 H 15 3.620 3.822 -0.202 1 1 180 . 1 1 1 A 15 15 GLY CA C 15 47.800 47.256 0.544 1 1 181 . 1 1 1 A 15 15 GLY N N 15 104.200 107.513 -3.313 1 1 182 . 1 1 1 A 16 16 ALA H H 16 8.650 7.612 1.038 1 1 183 . 1 1 1 A 16 16 ALA HA H 16 3.940 3.979 -0.039 1 1 187 . 1 1 1 A 16 16 ALA CA C 16 55.500 54.461 1.039 1 1 188 . 1 1 1 A 16 16 ALA CB C 16 18.600 18.175 0.425 1 1 189 . 1 1 1 A 16 16 ALA N N 16 125.700 124.964 0.736 1 1 190 . 1 1 1 A 17 17 ASP H H 17 9.020 8.223 0.797 1 1 191 . 1 1 1 A 17 17 ASP HA H 17 4.420 4.368 0.052 1 1 194 . 1 1 1 A 17 17 ASP CA C 17 56.700 56.554 0.146 1 1 195 . 1 1 1 A 17 17 ASP CB C 17 41.300 41.074 0.226 1 1 196 . 1 1 1 A 17 17 ASP N N 17 119.300 119.217 0.083 1 1 197 . 1 1 1 A 18 18 ALA H H 18 8.210 7.935 0.275 1 1 198 . 1 1 1 A 18 18 ALA HA H 18 4.180 4.204 -0.024 1 1 202 . 1 1 1 A 18 18 ALA CA C 18 53.100 55.241 -2.141 1 1 203 . 1 1 1 A 18 18 ALA CB C 18 19.000 18.525 0.475 1 1 204 . 1 1 1 A 18 18 ALA N N 18 118.300 120.378 -2.078 1 1 205 . 1 1 1 A 19 19 TYR H H 19 7.080 7.724 -0.644 1 1 206 . 1 1 1 A 19 19 TYR HA H 19 4.190 4.612 -0.422 1 1 213 . 1 1 1 A 19 19 TYR CA C 19 58.300 57.250 1.050 1 1 214 . 1 1 1 A 19 19 TYR CB C 19 39.100 38.227 0.873 1 1 217 . 1 1 1 A 19 19 TYR N N 19 118.200 117.710 0.490 1 1 218 . 1 1 1 A 20 20 PRO HA H 20 2.690 4.479 -1.789 1 1 225 . 1 1 1 A 20 20 PRO CA C 20 63.300 63.741 -0.441 1 1 226 . 1 1 1 A 20 20 PRO CB C 20 33.500 32.560 0.940 1 1 229 . 1 1 1 A 21 21 GLU H H 21 8.660 7.788 0.872 1 1 230 . 1 1 1 A 21 21 GLU HA H 21 4.420 4.427 -0.007 1 1 235 . 1 1 1 A 21 21 GLU CA C 21 55.300 56.335 -1.035 1 1 236 . 1 1 1 A 21 21 GLU CB C 21 30.400 30.578 -0.178 1 1 238 . 1 1 1 A 21 21 GLU N N 21 124.800 121.147 3.653 1 1 239 . 1 1 1 A 22 22 GLU H H 22 8.290 8.526 -0.236 1 1 240 . 1 1 1 A 22 22 GLU HA H 22 3.990 4.669 -0.679 1 1 245 . 1 1 1 A 22 22 GLU CA C 22 56.400 55.419 0.981 1 1 246 . 1 1 1 A 22 22 GLU CB C 22 30.900 30.253 0.647 1 1 248 . 1 1 1 A 22 22 GLU N N 22 119.700 120.793 -1.093 1 1 249 . 1 1 1 A 23 23 GLY H H 23 8.770 8.406 0.364 1 1 250 . 1 1 1 A 23 23 GLY HA2 H 23 2.430 4.409 -1.979 1 1 251 . 1 1 1 A 23 23 GLY HA3 H 23 4.270 4.426 -0.156 1 1 252 . 1 1 1 A 23 23 GLY CA C 23 42.900 45.119 -2.219 1 1 253 . 1 1 1 A 23 23 GLY N N 23 112.400 110.390 2.010 1 1 254 . 1 1 1 A 24 24 CYS H H 24 8.580 8.809 -0.229 1 1 255 . 1 1 1 A 24 24 CYS HA H 24 4.630 5.024 -0.394 1 1 258 . 1 1 1 A 24 24 CYS CA C 24 54.900 57.018 -2.118 1 1 259 . 1 1 1 A 24 24 CYS CB C 24 31.300 29.081 2.219 1 1 260 . 1 1 1 A 24 24 CYS N N 24 118.100 118.004 0.096 1 1 261 . 1 1 1 A 25 25 GLY H H 25 6.730 8.096 -1.366 1 1 262 . 1 1 1 A 25 25 GLY HA2 H 25 3.650 3.076 0.574 1 1 263 . 1 1 1 A 25 25 GLY HA3 H 25 4.030 3.970 0.060 1 1 264 . 1 1 1 A 25 25 GLY CA C 25 45.900 43.975 1.925 1 1 265 . 1 1 1 A 25 25 GLY N N 25 104.600 106.543 -1.943 1 1 266 . 1 1 1 A 26 26 PHE H H 26 9.350 8.927 0.423 1 1 267 . 1 1 1 A 26 26 PHE HA H 26 5.130 5.183 -0.053 1 1 275 . 1 1 1 A 26 26 PHE CA C 26 56.900 56.740 0.160 1 1 276 . 1 1 1 A 26 26 PHE CB C 26 43.300 42.146 1.154 1 1 280 . 1 1 1 A 26 26 PHE N N 26 114.900 120.606 -5.706 1 1 281 . 1 1 1 A 27 27 LEU H H 27 8.320 9.464 -1.144 1 1 282 . 1 1 1 A 27 27 LEU HA H 27 4.590 5.056 -0.466 1 1 292 . 1 1 1 A 27 27 LEU CA C 27 52.900 53.664 -0.764 1 1 293 . 1 1 1 A 27 27 LEU CB C 27 41.200 43.070 -1.870 1 1 297 . 1 1 1 A 27 27 LEU N N 27 119.100 122.820 -3.720 1 1 298 . 1 1 1 A 28 28 LEU H H 28 9.050 9.104 -0.054 1 1 299 . 1 1 1 A 28 28 LEU HA H 28 5.390 5.430 -0.040 1 1 309 . 1 1 1 A 28 28 LEU CA C 28 51.900 53.022 -1.122 1 1 310 . 1 1 1 A 28 28 LEU CB C 28 42.900 43.962 -1.062 1 1 314 . 1 1 1 A 28 28 LEU N N 28 123.500 125.031 -1.531 1 1 315 . 1 1 1 A 29 29 GLY H H 29 9.950 7.997 1.953 1 1 316 . 1 1 1 A 29 29 GLY HA2 H 29 5.270 4.333 0.937 1 1 317 . 1 1 1 A 29 29 GLY HA3 H 29 3.900 4.342 -0.442 1 1 318 . 1 1 1 A 29 29 GLY CA C 29 46.700 46.190 0.510 1 1 319 . 1 1 1 A 29 29 GLY N N 29 112.400 110.280 2.120 1 1 320 . 1 1 1 A 30 30 THR H H 30 8.810 8.513 0.297 1 1 321 . 1 1 1 A 30 30 THR HA H 30 4.810 5.214 -0.404 1 1 326 . 1 1 1 A 30 30 THR CA C 30 59.900 59.344 0.556 1 1 327 . 1 1 1 A 30 30 THR CB C 30 72.200 71.616 0.584 1 1 329 . 1 1 1 A 30 30 THR N N 30 116.000 113.172 2.828 1 1 330 . 1 1 1 A 31 31 VAL H H 31 8.530 8.565 -0.035 1 1 331 . 1 1 1 A 31 31 VAL HA H 31 4.830 4.442 0.388 1 1 339 . 1 1 1 A 31 31 VAL CA C 31 61.900 61.815 0.085 1 1 340 . 1 1 1 A 31 31 VAL CB C 31 32.200 32.263 -0.063 1 1 343 . 1 1 1 A 31 31 VAL N N 31 124.200 122.794 1.406 1 1 344 . 1 1 1 A 32 32 THR H H 32 9.040 8.969 0.071 1 1 345 . 1 1 1 A 32 32 THR HA H 32 4.580 4.532 0.048 1 1 350 . 1 1 1 A 32 32 THR CA C 32 61.200 60.878 0.322 1 1 351 . 1 1 1 A 32 32 THR CB C 32 70.700 71.008 -0.308 1 1 353 . 1 1 1 A 32 32 THR N N 32 118.900 121.295 -2.395 1 1 354 . 1 1 1 A 33 33 ASP H H 33 8.980 9.069 -0.089 1 1 355 . 1 1 1 A 33 33 ASP HA H 33 4.400 4.403 -0.003 1 1 358 . 1 1 1 A 33 33 ASP CA C 33 56.800 56.978 -0.178 1 1 359 . 1 1 1 A 33 33 ASP CB C 33 40.100 40.755 -0.655 1 1 360 . 1 1 1 A 33 33 ASP N N 33 121.100 122.411 -1.311 1 1 361 . 1 1 1 A 34 34 ASP H H 34 7.960 8.042 -0.082 1 1 362 . 1 1 1 A 34 34 ASP HA H 34 4.640 4.616 0.024 1 1 365 . 1 1 1 A 34 34 ASP CA C 34 53.500 54.286 -0.786 1 1 366 . 1 1 1 A 34 34 ASP CB C 34 40.400 41.094 -0.694 1 1 367 . 1 1 1 A 34 34 ASP N N 34 115.400 116.767 -1.367 1 1 368 . 1 1 1 A 35 35 GLY H H 35 8.080 8.325 -0.245 1 1 369 . 1 1 1 A 35 35 GLY HA2 H 35 3.590 3.914 -0.324 1 1 370 . 1 1 1 A 35 35 GLY HA3 H 35 4.200 3.946 0.254 1 1 371 . 1 1 1 A 35 35 GLY CA C 35 45.400 45.120 0.280 1 1 372 . 1 1 1 A 35 35 GLY N N 35 108.400 106.871 1.529 1 1 373 . 1 1 1 A 36 36 ASP H H 36 7.690 8.008 -0.318 1 1 374 . 1 1 1 A 36 36 ASP HA H 36 4.790 4.918 -0.128 1 1 377 . 1 1 1 A 36 36 ASP CA C 36 51.900 53.109 -1.209 1 1 378 . 1 1 1 A 36 36 ASP CB C 36 42.300 42.628 -0.328 1 1 379 . 1 1 1 A 36 36 ASP N N 36 120.100 121.871 -1.771 1 1 380 . 1 1 1 A 37 37 ASN H H 37 8.920 8.584 0.336 1 1 381 . 1 1 1 A 37 37 ASN HA H 37 5.180 5.567 -0.387 1 1 386 . 1 1 1 A 37 37 ASN CA C 37 52.900 51.931 0.969 1 1 387 . 1 1 1 A 37 37 ASN CB C 37 38.800 40.254 -1.454 1 1 388 . 1 1 1 A 37 37 ASN N N 37 119.000 119.128 -0.128 1 1 390 . 1 1 1 A 38 38 ARG H H 38 9.480 9.066 0.414 1 1 391 . 1 1 1 A 38 38 ARG HA H 38 5.310 5.278 0.032 1 1 398 . 1 1 1 A 38 38 ARG CA C 38 53.500 54.549 -1.049 1 1 399 . 1 1 1 A 38 38 ARG CB C 38 31.000 33.507 -2.507 1 1 402 . 1 1 1 A 38 38 ARG N N 38 126.900 123.075 3.825 1 1 403 . 1 1 1 A 39 39 VAL H H 39 8.810 8.930 -0.120 1 1 404 . 1 1 1 A 39 39 VAL HA H 39 4.150 4.061 0.089 1 1 412 . 1 1 1 A 39 39 VAL CA C 39 62.800 63.305 -0.505 1 1 413 . 1 1 1 A 39 39 VAL CB C 39 33.100 31.534 1.566 1 1 416 . 1 1 1 A 39 39 VAL N N 39 125.700 127.237 -1.537 1 1 417 . 1 1 1 A 40 40 ALA H H 40 9.680 8.718 0.962 1 1 418 . 1 1 1 A 40 40 ALA HA H 40 4.690 4.576 0.114 1 1 422 . 1 1 1 A 40 40 ALA CA C 40 51.300 52.494 -1.194 1 1 423 . 1 1 1 A 40 40 ALA CB C 40 22.700 21.018 1.682 1 1 424 . 1 1 1 A 40 40 ALA N N 40 102.300 129.623 -27.323 1 1 425 . 1 1 1 A 41 41 ALA H H 41 8.370 8.154 0.216 1 1 426 . 1 1 1 A 41 41 ALA HA H 41 4.530 4.989 -0.459 1 1 430 . 1 1 1 A 41 41 ALA CA C 41 51.700 50.647 1.053 1 1 431 . 1 1 1 A 41 41 ALA CB C 41 22.200 22.850 -0.650 1 1 432 . 1 1 1 A 41 41 ALA N N 41 120.200 118.664 1.536 1 1 433 . 1 1 1 A 42 42 LEU H H 42 8.690 8.874 -0.184 1 1 434 . 1 1 1 A 42 42 LEU HA H 42 5.320 5.163 0.157 1 1 444 . 1 1 1 A 42 42 LEU CA C 42 53.500 53.876 -0.376 1 1 445 . 1 1 1 A 42 42 LEU CB C 42 46.300 45.668 0.632 1 1 449 . 1 1 1 A 42 42 LEU N N 42 118.300 120.603 -2.303 1 1 450 . 1 1 1 A 43 43 HIS H H 43 8.820 8.416 0.404 1 1 451 . 1 1 1 A 43 43 HIS HA H 43 4.870 4.872 -0.002 1 1 456 . 1 1 1 A 43 43 HIS CA C 43 56.300 55.654 0.646 1 1 457 . 1 1 1 A 43 43 HIS CB C 43 34.200 33.107 1.093 1 1 460 . 1 1 1 A 43 43 HIS N N 43 120.700 123.916 -3.216 1 1 461 . 1 1 1 A 44 44 ARG H H 44 8.580 8.168 0.412 1 1 462 . 1 1 1 A 44 44 ARG HA H 44 4.420 4.451 -0.031 1 1 469 . 1 1 1 A 44 44 ARG CA C 44 57.400 55.700 1.700 1 1 470 . 1 1 1 A 44 44 ARG CB C 44 31.100 31.335 -0.235 1 1 473 . 1 1 1 A 44 44 ARG N N 44 128.300 123.166 5.134 1 1 474 . 1 1 1 A 45 45 ALA H H 45 8.580 8.972 -0.392 1 1 475 . 1 1 1 A 45 45 ALA HA H 45 4.720 4.577 0.143 1 1 479 . 1 1 1 A 45 45 ALA CA C 45 51.500 52.047 -0.547 1 1 480 . 1 1 1 A 45 45 ALA CB C 45 20.200 17.451 2.749 1 1 481 . 1 1 1 A 45 45 ALA N N 45 125.700 125.543 0.157 1 1 482 . 1 1 1 A 46 46 THR H H 46 8.250 7.972 0.278 1 1 483 . 1 1 1 A 46 46 THR HA H 46 4.270 4.666 -0.396 1 1 488 . 1 1 1 A 46 46 THR CA C 46 62.000 61.247 0.753 1 1 489 . 1 1 1 A 46 46 THR CB C 46 69.900 72.535 -2.635 1 1 491 . 1 1 1 A 46 46 THR N N 46 115.500 114.240 1.260 1 1 492 . 1 1 1 A 47 47 ASN H H 47 8.590 8.806 -0.216 1 1 493 . 1 1 1 A 47 47 ASN HA H 47 4.620 5.347 -0.727 1 1 498 . 1 1 1 A 47 47 ASN CA C 47 53.400 53.643 -0.243 1 1 499 . 1 1 1 A 47 47 ASN CB C 47 38.400 38.814 -0.414 1 1 500 . 1 1 1 A 47 47 ASN N N 47 122.400 125.430 -3.030 1 1 502 . 1 1 1 A 50 50 SER H H 50 8.480 8.992 -0.512 1 1 503 . 1 1 1 A 50 50 SER HA H 50 4.400 4.663 -0.263 1 1 506 . 1 1 1 A 50 50 SER CA C 50 58.900 57.393 1.507 1 1 507 . 1 1 1 A 50 50 SER CB C 50 63.600 65.071 -1.471 1 1 508 . 1 1 1 A 50 50 SER N N 50 116.600 124.366 -7.766 1 1 509 . 1 1 1 A 51 51 GLU H H 51 8.510 8.627 -0.117 1 1 510 . 1 1 1 A 51 51 GLU HA H 51 4.300 4.458 -0.158 1 1 515 . 1 1 1 A 51 51 GLU CA C 51 56.800 56.042 0.758 1 1 516 . 1 1 1 A 51 51 GLU CB C 51 29.900 28.661 1.239 1 1 518 . 1 1 1 A 51 51 GLU N N 51 121.800 122.115 -0.315 1 1 519 . 1 1 1 A 52 52 GLN H H 52 8.300 7.792 0.508 1 1 520 . 1 1 1 A 52 52 GLN HA H 52 4.310 5.033 -0.723 1 1 527 . 1 1 1 A 52 52 GLN CA C 52 55.900 54.660 1.240 1 1 528 . 1 1 1 A 52 52 GLN CB C 52 29.000 30.621 -1.621 1 1 530 . 1 1 1 A 52 52 GLN N N 52 119.500 122.623 -3.123 1 1 532 . 1 1 1 A 53 53 ARG H H 53 8.350 8.694 -0.344 1 1 533 . 1 1 1 A 53 53 ARG HA H 53 4.310 4.671 -0.361 1 1 540 . 1 1 1 A 53 53 ARG CA C 53 56.800 55.066 1.734 1 1 541 . 1 1 1 A 53 53 ARG CB C 53 30.700 30.538 0.162 1 1 544 . 1 1 1 A 53 53 ARG N N 53 121.000 124.916 -3.916 1 1 545 . 1 1 1 A 54 54 THR H H 54 8.140 8.592 -0.452 1 1 546 . 1 1 1 A 54 54 THR HA H 54 4.340 4.681 -0.341 1 1 551 . 1 1 1 A 54 54 THR CA C 54 61.900 60.270 1.630 1 1 552 . 1 1 1 A 54 54 THR CB C 54 69.600 69.901 -0.301 1 1 554 . 1 1 1 A 54 54 THR N N 54 113.100 118.932 -5.832 1 1 555 . 1 1 1 A 64 64 TYR H H 64 8.220 9.054 -0.834 1 1 556 . 1 1 1 A 64 64 TYR HA H 64 3.360 3.352 0.008 1 1 563 . 1 1 1 A 64 64 TYR CA C 64 61.600 62.106 -0.506 1 1 564 . 1 1 1 A 64 64 TYR CB C 64 37.700 39.164 -1.464 1 1 567 . 1 1 1 A 64 64 TYR N N 64 120.700 126.825 -6.125 1 1 568 . 1 1 1 A 65 65 ARG H H 65 8.340 8.357 -0.017 1 1 569 . 1 1 1 A 65 65 ARG HA H 65 3.930 3.887 0.043 1 1 576 . 1 1 1 A 65 65 ARG CA C 65 59.600 59.559 0.041 1 1 577 . 1 1 1 A 65 65 ARG CB C 65 30.100 29.749 0.351 1 1 580 . 1 1 1 A 65 65 ARG N N 65 119.200 118.847 0.353 1 1 581 . 1 1 1 A 66 66 ALA H H 66 7.790 7.885 -0.095 1 1 582 . 1 1 1 A 66 66 ALA HA H 66 4.090 3.970 0.120 1 1 586 . 1 1 1 A 66 66 ALA CA C 66 54.700 55.054 -0.354 1 1 587 . 1 1 1 A 66 66 ALA CB C 66 18.100 18.134 -0.034 1 1 588 . 1 1 1 A 66 66 ALA N N 66 121.900 118.636 3.264 1 1 589 . 1 1 1 A 67 67 ALA H H 67 7.550 7.662 -0.112 1 1 590 . 1 1 1 A 67 67 ALA HA H 67 2.940 3.717 -0.777 1 1 594 . 1 1 1 A 67 67 ALA CA C 67 54.300 54.730 -0.430 1 1 595 . 1 1 1 A 67 67 ALA CB C 67 18.000 17.922 0.078 1 1 596 . 1 1 1 A 67 67 ALA N N 67 123.000 120.479 2.521 1 1 597 . 1 1 1 A 68 68 ASP H H 68 8.320 8.227 0.093 1 1 598 . 1 1 1 A 68 68 ASP HA H 68 4.100 4.049 0.051 1 1 601 . 1 1 1 A 68 68 ASP CA C 68 56.800 56.896 -0.096 1 1 602 . 1 1 1 A 68 68 ASP CB C 68 41.400 41.192 0.208 1 1 603 . 1 1 1 A 68 68 ASP N N 68 118.100 118.271 -0.171 1 1 604 . 1 1 1 A 69 69 ALA H H 69 7.790 8.020 -0.230 1 1 605 . 1 1 1 A 69 69 ALA HA H 69 4.010 4.000 0.010 1 1 609 . 1 1 1 A 69 69 ALA CA C 69 55.000 54.693 0.307 1 1 610 . 1 1 1 A 69 69 ALA CB C 69 17.600 18.402 -0.802 1 1 611 . 1 1 1 A 69 69 ALA N N 69 121.200 120.672 0.528 1 1 612 . 1 1 1 A 70 70 ALA H H 70 7.490 8.057 -0.567 1 1 613 . 1 1 1 A 70 70 ALA HA H 70 4.070 3.721 0.349 1 1 617 . 1 1 1 A 70 70 ALA CA C 70 54.500 54.712 -0.212 1 1 618 . 1 1 1 A 70 70 ALA CB C 70 17.900 18.010 -0.110 1 1 619 . 1 1 1 A 70 70 ALA N N 70 121.200 119.396 1.804 1 1 620 . 1 1 1 A 71 71 ALA H H 71 8.620 8.176 0.444 1 1 621 . 1 1 1 A 71 71 ALA HA H 71 3.660 3.883 -0.223 1 1 625 . 1 1 1 A 71 71 ALA CA C 71 55.300 55.227 0.073 1 1 626 . 1 1 1 A 71 71 ALA CB C 71 17.800 18.001 -0.201 1 1 627 . 1 1 1 A 71 71 ALA N N 71 121.600 120.375 1.225 1 1 628 . 1 1 1 A 72 72 GLN H H 72 8.700 8.074 0.626 1 1 629 . 1 1 1 A 72 72 GLN HA H 72 4.080 3.948 0.132 1 1 636 . 1 1 1 A 72 72 GLN CA C 72 59.000 58.462 0.538 1 1 637 . 1 1 1 A 72 72 GLN CB C 72 28.000 28.264 -0.264 1 1 639 . 1 1 1 A 72 72 GLN N N 72 118.600 117.103 1.497 1 1 641 . 1 1 1 A 73 73 GLU H H 73 7.640 8.106 -0.466 1 1 642 . 1 1 1 A 73 73 GLU HA H 73 4.080 3.715 0.365 1 1 647 . 1 1 1 A 73 73 GLU CA C 73 58.800 59.183 -0.383 1 1 648 . 1 1 1 A 73 73 GLU CB C 73 29.600 29.152 0.448 1 1 650 . 1 1 1 A 73 73 GLU N N 73 119.000 120.464 -1.464 1 1 651 . 1 1 1 A 74 74 GLN H H 74 7.400 7.556 -0.156 1 1 652 . 1 1 1 A 74 74 GLN HA H 74 4.470 4.311 0.159 1 1 659 . 1 1 1 A 74 74 GLN CA C 74 55.000 55.279 -0.279 1 1 660 . 1 1 1 A 74 74 GLN CB C 74 30.900 29.294 1.606 1 1 662 . 1 1 1 A 74 74 GLN N N 74 114.600 116.582 -1.982 1 1 664 . 1 1 1 A 75 75 GLY H H 75 7.830 8.458 -0.628 1 1 665 . 1 1 1 A 75 75 GLY HA2 H 75 3.950 3.794 0.156 1 1 666 . 1 1 1 A 75 75 GLY HA3 H 75 3.870 3.865 0.005 1 1 667 . 1 1 1 A 75 75 GLY CA C 75 46.500 46.335 0.165 1 1 668 . 1 1 1 A 75 75 GLY N N 75 109.300 109.135 0.165 1 1 669 . 1 1 1 A 76 76 LEU H H 76 8.110 8.358 -0.248 1 1 670 . 1 1 1 A 76 76 LEU HA H 76 4.650 5.043 -0.393 1 1 680 . 1 1 1 A 76 76 LEU CA C 76 52.500 53.155 -0.655 1 1 681 . 1 1 1 A 76 76 LEU CB C 76 45.700 45.509 0.191 1 1 685 . 1 1 1 A 76 76 LEU N N 76 119.300 120.354 -1.054 1 1 686 . 1 1 1 A 77 77 ASP H H 77 8.990 8.646 0.344 1 1 687 . 1 1 1 A 77 77 ASP HA H 77 5.120 5.041 0.079 1 1 690 . 1 1 1 A 77 77 ASP CA C 77 52.600 52.607 -0.007 1 1 691 . 1 1 1 A 77 77 ASP CB C 77 44.600 44.252 0.348 1 1 692 . 1 1 1 A 77 77 ASP N N 77 117.600 118.079 -0.479 1 1 693 . 1 1 1 A 78 78 VAL H H 78 9.070 8.819 0.251 1 1 694 . 1 1 1 A 78 78 VAL HA H 78 4.090 4.132 -0.042 1 1 702 . 1 1 1 A 78 78 VAL CA C 78 63.900 62.883 1.017 1 1 703 . 1 1 1 A 78 78 VAL CB C 78 30.900 30.922 -0.022 1 1 706 . 1 1 1 A 78 78 VAL N N 78 121.900 120.550 1.350 1 1 707 . 1 1 1 A 79 79 VAL H H 79 8.360 8.841 -0.481 1 1 708 . 1 1 1 A 79 79 VAL HA H 79 4.300 3.944 0.356 1 1 716 . 1 1 1 A 79 79 VAL CA C 79 59.500 61.921 -2.421 1 1 717 . 1 1 1 A 79 79 VAL CB C 79 32.600 32.400 0.200 1 1 720 . 1 1 1 A 79 79 VAL N N 79 116.700 122.040 -5.340 1 1 721 . 1 1 1 A 80 80 GLY H H 80 6.970 6.884 0.086 1 1 722 . 1 1 1 A 80 80 GLY HA2 H 80 4.380 4.029 0.351 1 1 723 . 1 1 1 A 80 80 GLY HA3 H 80 3.550 4.041 -0.491 1 1 724 . 1 1 1 A 80 80 GLY CA C 80 46.900 45.591 1.309 1 1 725 . 1 1 1 A 80 80 GLY N N 80 106.200 108.720 -2.520 1 1 726 . 1 1 1 A 81 81 VAL H H 81 8.510 8.190 0.320 1 1 727 . 1 1 1 A 81 81 VAL HA H 81 4.900 5.039 -0.139 1 1 735 . 1 1 1 A 81 81 VAL CA C 81 59.400 60.278 -0.878 1 1 736 . 1 1 1 A 81 81 VAL CB C 81 37.600 35.947 1.653 1 1 739 . 1 1 1 A 81 81 VAL N N 81 116.200 119.514 -3.314 1 1 740 . 1 1 1 A 82 82 TYR H H 82 8.370 9.068 -0.698 1 1 741 . 1 1 1 A 82 82 TYR HA H 82 6.000 5.577 0.423 1 1 748 . 1 1 1 A 82 82 TYR CA C 82 54.900 55.857 -0.957 1 1 749 . 1 1 1 A 82 82 TYR CB C 82 42.800 42.571 0.229 1 1 752 . 1 1 1 A 82 82 TYR N N 82 118.100 121.224 -3.124 1 1 753 . 1 1 1 A 83 83 HIS H H 83 8.520 8.524 -0.004 1 1 754 . 1 1 1 A 83 83 HIS HA H 83 5.150 5.430 -0.280 1 1 759 . 1 1 1 A 83 83 HIS CA C 83 54.900 54.360 0.540 1 1 760 . 1 1 1 A 83 83 HIS CB C 83 33.200 32.764 0.436 1 1 763 . 1 1 1 A 83 83 HIS N N 83 115.400 117.111 -1.711 1 1 764 . 1 1 1 A 84 84 SER H H 84 9.060 8.872 0.188 1 1 765 . 1 1 1 A 84 84 SER HA H 84 5.590 5.198 0.392 1 1 768 . 1 1 1 A 84 84 SER CA C 84 55.800 57.926 -2.126 1 1 769 . 1 1 1 A 84 84 SER CB C 84 65.500 65.182 0.318 1 1 770 . 1 1 1 A 84 84 SER N N 84 117.100 116.730 0.370 1 1 771 . 1 1 1 A 85 85 HIS H H 85 8.980 8.975 0.005 1 1 772 . 1 1 1 A 85 85 HIS HA H 85 4.830 5.347 -0.517 1 1 777 . 1 1 1 A 85 85 HIS CA C 85 50.400 53.810 -3.410 1 1 778 . 1 1 1 A 85 85 HIS CB C 85 32.000 32.055 -0.055 1 1 781 . 1 1 1 A 85 85 HIS N N 85 117.600 119.477 -1.877 1 1 782 . 1 1 1 A 86 86 PRO HA H 86 5.080 4.655 0.425 1 1 789 . 1 1 1 A 86 86 PRO CA C 86 62.400 62.576 -0.176 1 1 790 . 1 1 1 A 86 86 PRO CB C 86 32.400 29.305 3.095 1 1 793 . 1 1 1 A 87 87 ASP H H 87 10.300 8.521 1.779 1 1 794 . 1 1 1 A 87 87 ASP HA H 87 4.320 4.628 -0.308 1 1 797 . 1 1 1 A 87 87 ASP CA C 87 56.600 53.795 2.805 1 1 798 . 1 1 1 A 87 87 ASP CB C 87 39.600 43.166 -3.566 1 1 799 . 1 1 1 A 87 87 ASP N N 87 123.100 123.043 0.057 1 1 800 . 1 1 1 A 88 88 HIS H H 88 7.500 8.440 -0.940 1 1 801 . 1 1 1 A 88 88 HIS HA H 88 5.050 4.737 0.313 1 1 806 . 1 1 1 A 88 88 HIS CA C 88 54.700 57.041 -2.341 1 1 807 . 1 1 1 A 88 88 HIS CB C 88 32.400 28.550 3.850 1 1 810 . 1 1 1 A 88 88 HIS N N 88 115.000 123.576 -8.576 1 1 811 . 1 1 1 A 89 89 PRO HA H 89 4.370 4.398 -0.028 1 1 818 . 1 1 1 A 89 89 PRO CA C 89 62.700 65.354 -2.654 1 1 819 . 1 1 1 A 89 89 PRO CB C 89 31.600 31.852 -0.252 1 1 822 . 1 1 1 A 90 90 ALA H H 90 8.020 7.545 0.475 1 1 823 . 1 1 1 A 90 90 ALA HA H 90 4.290 4.632 -0.342 1 1 827 . 1 1 1 A 90 90 ALA CA C 90 50.800 52.041 -1.241 1 1 828 . 1 1 1 A 90 90 ALA CB C 90 16.600 19.150 -2.550 1 1 829 . 1 1 1 A 90 90 ALA N N 90 125.800 117.532 8.268 1 1 830 . 1 1 1 A 91 91 ARG H H 91 7.990 8.839 -0.849 1 1 831 . 1 1 1 A 91 91 ARG HA H 91 4.300 4.325 -0.025 1 1 838 . 1 1 1 A 91 91 ARG CA C 91 53.100 54.157 -1.057 1 1 839 . 1 1 1 A 91 91 ARG CB C 91 31.800 32.940 -1.140 1 1 842 . 1 1 1 A 91 91 ARG N N 91 121.900 118.923 2.977 1 1 843 . 1 1 1 A 92 92 PRO HA H 92 4.070 4.450 -0.380 1 1 850 . 1 1 1 A 92 92 PRO CA C 92 62.300 62.547 -0.247 1 1 851 . 1 1 1 A 92 92 PRO CB C 92 32.500 31.555 0.945 1 1 854 . 1 1 1 A 93 93 SER H H 93 9.960 8.845 1.115 1 1 855 . 1 1 1 A 93 93 SER HA H 93 4.630 4.620 0.010 1 1 858 . 1 1 1 A 93 93 SER CA C 93 56.300 56.094 0.206 1 1 859 . 1 1 1 A 93 93 SER CB C 93 66.500 65.502 0.998 1 1 860 . 1 1 1 A 93 93 SER N N 93 121.800 117.319 4.481 1 1 861 . 1 1 1 A 94 94 ALA H H 94 8.880 8.877 0.003 1 1 862 . 1 1 1 A 94 94 ALA HA H 94 4.130 3.997 0.133 1 1 866 . 1 1 1 A 94 94 ALA CA C 94 55.400 55.063 0.337 1 1 867 . 1 1 1 A 94 94 ALA CB C 94 18.000 18.457 -0.457 1 1 868 . 1 1 1 A 94 94 ALA N N 94 123.100 126.262 -3.162 1 1 869 . 1 1 1 A 95 95 THR H H 95 7.870 7.935 -0.065 1 1 870 . 1 1 1 A 95 95 THR HA H 95 3.920 3.969 -0.049 1 1 875 . 1 1 1 A 95 95 THR CA C 95 65.700 67.138 -1.438 1 1 876 . 1 1 1 A 95 95 THR CB C 95 68.400 68.556 -0.156 1 1 878 . 1 1 1 A 95 95 THR N N 95 114.300 114.768 -0.468 1 1 879 . 1 1 1 A 96 96 ASP H H 96 7.420 8.586 -1.166 1 1 880 . 1 1 1 A 96 96 ASP HA H 96 4.230 4.339 -0.109 1 1 883 . 1 1 1 A 96 96 ASP CA C 96 57.400 56.658 0.742 1 1 884 . 1 1 1 A 96 96 ASP CB C 96 40.100 39.318 0.782 1 1 885 . 1 1 1 A 96 96 ASP N N 96 121.000 120.145 0.855 1 1 886 . 1 1 1 A 97 97 LEU H H 97 7.490 7.679 -0.189 1 1 887 . 1 1 1 A 97 97 LEU HA H 97 4.000 4.331 -0.331 1 1 897 . 1 1 1 A 97 97 LEU CA C 97 57.600 58.084 -0.484 1 1 898 . 1 1 1 A 97 97 LEU CB C 97 41.400 42.052 -0.652 1 1 902 . 1 1 1 A 97 97 LEU N N 97 118.900 123.529 -4.629 1 1 903 . 1 1 1 A 98 98 GLU H H 98 7.690 8.250 -0.560 1 1 904 . 1 1 1 A 98 98 GLU HA H 98 3.900 4.009 -0.109 1 1 909 . 1 1 1 A 98 98 GLU CA C 98 58.700 59.579 -0.879 1 1 910 . 1 1 1 A 98 98 GLU CB C 98 29.600 29.261 0.339 1 1 912 . 1 1 1 A 98 98 GLU N N 98 119.100 118.804 0.296 1 1 913 . 1 1 1 A 99 99 GLU H H 99 7.500 7.991 -0.491 1 1 914 . 1 1 1 A 99 99 GLU HA H 99 4.200 4.309 -0.109 1 1 919 . 1 1 1 A 99 99 GLU CA C 99 56.100 57.049 -0.949 1 1 920 . 1 1 1 A 99 99 GLU CB C 99 30.000 29.921 0.079 1 1 922 . 1 1 1 A 99 99 GLU N N 99 114.300 117.368 -3.068 1 1 923 . 1 1 1 A 100 100 ALA H H 100 7.400 7.057 0.343 1 1 924 . 1 1 1 A 100 100 ALA HA H 100 4.620 4.447 0.173 1 1 928 . 1 1 1 A 100 100 ALA CA C 100 52.000 51.654 0.346 1 1 929 . 1 1 1 A 100 100 ALA CB C 100 18.100 18.348 -0.248 1 1 930 . 1 1 1 A 100 100 ALA N N 100 125.900 124.200 1.700 1 1 931 . 1 1 1 A 101 101 THR H H 101 7.790 8.014 -0.224 1 1 932 . 1 1 1 A 101 101 THR HA H 101 4.050 4.183 -0.133 1 1 937 . 1 1 1 A 101 101 THR CA C 101 61.200 63.383 -2.183 1 1 938 . 1 1 1 A 101 101 THR CB C 101 68.900 68.812 0.088 1 1 940 . 1 1 1 A 101 101 THR N N 101 111.700 118.176 -6.476 1 1 941 . 1 1 1 A 102 102 PHE H H 102 7.320 7.590 -0.270 1 1 942 . 1 1 1 A 102 102 PHE HA H 102 4.750 4.920 -0.170 1 1 950 . 1 1 1 A 102 102 PHE CA C 102 54.300 54.971 -0.671 1 1 951 . 1 1 1 A 102 102 PHE CB C 102 38.200 38.550 -0.350 1 1 955 . 1 1 1 A 102 102 PHE N N 102 120.200 119.273 0.927 1 1 956 . 1 1 1 A 103 103 PRO HA H 103 4.480 4.639 -0.159 1 1 963 . 1 1 1 A 103 103 PRO CA C 103 64.100 64.194 -0.094 1 1 964 . 1 1 1 A 103 103 PRO CB C 103 32.000 31.762 0.238 1 1 967 . 1 1 1 A 104 104 GLY H H 104 8.920 8.693 0.227 1 1 968 . 1 1 1 A 104 104 GLY HA2 H 104 4.270 4.123 0.147 1 1 969 . 1 1 1 A 104 104 GLY HA3 H 104 4.160 4.191 -0.031 1 1 970 . 1 1 1 A 104 104 GLY CA C 104 45.600 45.298 0.302 1 1 971 . 1 1 1 A 104 104 GLY N N 104 109.600 106.882 2.718 1 1 972 . 1 1 1 A 105 105 PHE H H 105 7.250 7.965 -0.715 1 1 973 . 1 1 1 A 105 105 PHE HA H 105 4.930 4.926 0.004 1 1 981 . 1 1 1 A 105 105 PHE CA C 105 54.900 57.535 -2.635 1 1 982 . 1 1 1 A 105 105 PHE CB C 105 39.400 41.272 -1.872 1 1 986 . 1 1 1 A 105 105 PHE N N 105 120.100 119.641 0.459 1 1 987 . 1 1 1 A 106 106 THR H H 106 8.110 8.327 -0.217 1 1 988 . 1 1 1 A 106 106 THR HA H 106 4.840 4.832 0.008 1 1 993 . 1 1 1 A 106 106 THR CA C 106 64.400 62.395 2.005 1 1 994 . 1 1 1 A 106 106 THR CB C 106 70.500 69.551 0.949 1 1 996 . 1 1 1 A 106 106 THR N N 106 118.600 117.329 1.271 1 1 997 . 1 1 1 A 107 107 TYR H H 107 9.660 9.404 0.256 1 1 998 . 1 1 1 A 107 107 TYR HA H 107 5.150 5.835 -0.685 1 1 1005 . 1 1 1 A 107 107 TYR CA C 107 56.900 57.354 -0.454 1 1 1006 . 1 1 1 A 107 107 TYR CB C 107 38.900 40.025 -1.125 1 1 1009 . 1 1 1 A 107 107 TYR N N 107 126.600 127.306 -0.706 1 1 1010 . 1 1 1 A 108 108 VAL H H 108 9.270 9.171 0.099 1 1 1011 . 1 1 1 A 108 108 VAL HA H 108 5.220 4.804 0.416 1 1 1019 . 1 1 1 A 108 108 VAL CA C 108 60.800 62.135 -1.335 1 1 1020 . 1 1 1 A 108 108 VAL CB C 108 33.500 32.478 1.022 1 1 1023 . 1 1 1 A 108 108 VAL N N 108 124.400 123.852 0.548 1 1 1024 . 1 1 1 A 109 109 ILE H H 109 9.300 9.503 -0.203 1 1 1025 . 1 1 1 A 109 109 ILE HA H 109 5.150 4.735 0.415 1 1 1035 . 1 1 1 A 109 109 ILE CA C 109 58.000 59.233 -1.233 1 1 1036 . 1 1 1 A 109 109 ILE CB C 109 39.600 38.970 0.630 1 1 1040 . 1 1 1 A 109 109 ILE N N 109 128.500 129.010 -0.510 1 1 1041 . 1 1 1 A 110 110 VAL H H 110 7.910 8.929 -1.019 1 1 1042 . 1 1 1 A 110 110 VAL HA H 110 5.650 5.169 0.481 1 1 1050 . 1 1 1 A 110 110 VAL CA C 110 56.800 59.376 -2.576 1 1 1051 . 1 1 1 A 110 110 VAL CB C 110 35.400 35.207 0.193 1 1 1054 . 1 1 1 A 110 110 VAL N N 110 122.600 127.521 -4.921 1 1 1055 . 1 1 1 A 111 111 SER H H 111 9.390 9.173 0.217 1 1 1056 . 1 1 1 A 111 111 SER HA H 111 4.850 4.826 0.024 1 1 1059 . 1 1 1 A 111 111 SER CA C 111 57.700 57.175 0.525 1 1 1060 . 1 1 1 A 111 111 SER CB C 111 64.500 63.406 1.094 1 1 1061 . 1 1 1 A 111 111 SER N N 111 124.700 124.129 0.571 1 1 1062 . 1 1 1 A 112 112 VAL H H 112 7.850 9.007 -1.157 1 1 1063 . 1 1 1 A 112 112 VAL HA H 112 4.530 5.062 -0.532 1 1 1071 . 1 1 1 A 112 112 VAL CA C 112 61.000 61.221 -0.221 1 1 1072 . 1 1 1 A 112 112 VAL CB C 112 33.800 34.122 -0.322 1 1 1075 . 1 1 1 A 112 112 VAL N N 112 126.100 128.366 -2.266 1 1 1076 . 1 1 1 A 113 113 ARG H H 113 8.620 9.035 -0.415 1 1 1077 . 1 1 1 A 113 113 ARG HA H 113 5.020 4.724 0.296 1 1 1084 . 1 1 1 A 113 113 ARG CA C 113 54.100 54.811 -0.711 1 1 1085 . 1 1 1 A 113 113 ARG CB C 113 31.500 31.236 0.264 1 1 1088 . 1 1 1 A 113 113 ARG N N 113 128.800 128.489 0.311 1 1 1089 . 1 1 1 A 114 114 ASP H H 114 9.650 9.385 0.265 1 1 1090 . 1 1 1 A 114 114 ASP HA H 114 4.370 4.533 -0.163 1 1 1093 . 1 1 1 A 114 114 ASP CA C 114 55.100 55.214 -0.114 1 1 1094 . 1 1 1 A 114 114 ASP CB C 114 39.800 39.923 -0.123 1 1 1095 . 1 1 1 A 114 114 ASP N N 114 128.100 126.863 1.237 1 1 1096 . 1 1 1 A 115 115 GLY H H 115 8.350 8.282 0.068 1 1 1097 . 1 1 1 A 115 115 GLY HA2 H 115 3.980 4.029 -0.049 1 1 1098 . 1 1 1 A 115 115 GLY HA3 H 115 2.460 4.098 -1.638 1 1 1099 . 1 1 1 A 115 115 GLY CA C 115 45.500 45.082 0.418 1 1 1100 . 1 1 1 A 115 115 GLY N N 115 109.900 104.695 5.205 1 1 1101 . 1 1 1 A 116 116 ALA H H 116 7.610 7.656 -0.046 1 1 1102 . 1 1 1 A 116 116 ALA HA H 116 4.920 4.555 0.365 1 1 1106 . 1 1 1 A 116 116 ALA CA C 116 48.200 49.612 -1.412 1 1 1107 . 1 1 1 A 116 116 ALA CB C 116 19.600 19.931 -0.331 1 1 1108 . 1 1 1 A 116 116 ALA N N 116 123.900 124.515 -0.615 1 1 1109 . 1 1 1 A 117 117 PRO HA H 117 4.670 4.944 -0.274 1 1 1116 . 1 1 1 A 117 117 PRO CA C 117 62.900 62.346 0.554 1 1 1117 . 1 1 1 A 117 117 PRO CB C 117 31.500 31.854 -0.354 1 1 1120 . 1 1 1 A 118 118 GLU H H 118 8.900 9.658 -0.758 1 1 1121 . 1 1 1 A 118 118 GLU HA H 118 4.540 4.420 0.120 1 1 1126 . 1 1 1 A 118 118 GLU CA C 118 56.200 58.301 -2.101 1 1 1127 . 1 1 1 A 118 118 GLU CB C 118 30.500 30.752 -0.252 1 1 1129 . 1 1 1 A 118 118 GLU N N 118 127.400 123.487 3.913 1 1 1130 . 1 1 1 A 119 119 ALA H H 119 8.060 7.785 0.275 1 1 1131 . 1 1 1 A 119 119 ALA HA H 119 4.460 4.711 -0.251 1 1 1135 . 1 1 1 A 119 119 ALA CA C 119 52.600 51.034 1.566 1 1 1136 . 1 1 1 A 119 119 ALA CB C 119 21.000 23.443 -2.443 1 1 1137 . 1 1 1 A 119 119 ALA N N 119 123.500 119.868 3.632 1 1 1138 . 1 1 1 A 120 120 LEU H H 120 8.170 8.623 -0.453 1 1 1139 . 1 1 1 A 120 120 LEU HA H 120 5.400 5.236 0.164 1 1 1149 . 1 1 1 A 120 120 LEU CA C 120 55.000 53.576 1.424 1 1 1150 . 1 1 1 A 120 120 LEU CB C 120 45.300 45.191 0.109 1 1 1154 . 1 1 1 A 120 120 LEU N N 120 123.500 120.115 3.385 1 1 1155 . 1 1 1 A 121 121 THR H H 121 9.450 9.090 0.360 1 1 1156 . 1 1 1 A 121 121 THR HA H 121 4.520 5.023 -0.503 1 1 1161 . 1 1 1 A 121 121 THR CA C 121 58.700 60.214 -1.514 1 1 1162 . 1 1 1 A 121 121 THR CB C 121 72.100 71.731 0.369 1 1 1164 . 1 1 1 A 121 121 THR N N 121 117.400 114.950 2.450 1 1 1165 . 1 1 1 A 122 122 ALA H H 122 8.620 8.622 -0.002 1 1 1166 . 1 1 1 A 122 122 ALA HA H 122 5.370 5.524 -0.154 1 1 1170 . 1 1 1 A 122 122 ALA CA C 122 50.400 49.780 0.620 1 1 1171 . 1 1 1 A 122 122 ALA CB C 122 21.900 22.193 -0.293 1 1 1172 . 1 1 1 A 122 122 ALA N N 122 123.400 124.382 -0.982 1 1 1173 . 1 1 1 A 123 123 TRP H H 123 8.740 9.397 -0.657 1 1 1174 . 1 1 1 A 123 123 TRP HA H 123 5.090 5.366 -0.276 1 1 1183 . 1 1 1 A 123 123 TRP CA C 123 56.700 56.499 0.201 1 1 1184 . 1 1 1 A 123 123 TRP CB C 123 33.300 33.528 -0.228 1 1 1190 . 1 1 1 A 123 123 TRP N N 123 118.700 121.282 -2.582 1 1 1192 . 1 1 1 A 124 124 ALA H H 124 9.570 9.396 0.174 1 1 1193 . 1 1 1 A 124 124 ALA HA H 124 5.360 5.459 -0.099 1 1 1197 . 1 1 1 A 124 124 ALA CA C 124 50.300 50.473 -0.173 1 1 1198 . 1 1 1 A 124 124 ALA CB C 124 22.600 21.145 1.455 1 1 1199 . 1 1 1 A 124 124 ALA N N 124 123.200 125.795 -2.595 1 1 1200 . 1 1 1 A 125 125 LEU H H 125 9.830 8.990 0.840 1 1 1201 . 1 1 1 A 125 125 LEU HA H 125 4.190 4.048 0.142 1 1 1211 . 1 1 1 A 125 125 LEU CA C 125 54.700 54.508 0.192 1 1 1212 . 1 1 1 A 125 125 LEU CB C 125 44.000 43.035 0.965 1 1 1216 . 1 1 1 A 125 125 LEU N N 125 125.000 125.932 -0.932 1 1 1217 . 1 1 1 A 126 126 ALA H H 126 8.310 8.307 0.003 1 1 1218 . 1 1 1 A 126 126 ALA HA H 126 4.460 4.465 -0.005 1 1 1222 . 1 1 1 A 126 126 ALA CA C 126 51.100 50.730 0.370 1 1 1223 . 1 1 1 A 126 126 ALA CB C 126 18.300 17.991 0.309 1 1 1224 . 1 1 1 A 126 126 ALA N N 126 127.000 129.130 -2.130 1 1 1225 . 1 1 1 A 127 127 PRO HA H 127 4.340 4.333 0.007 1 1 1232 . 1 1 1 A 127 127 PRO CA C 127 65.400 64.761 0.639 1 1 1233 . 1 1 1 A 127 127 PRO CB C 127 31.800 31.971 -0.171 1 1 1236 . 1 1 1 A 128 128 ASP H H 128 7.680 7.988 -0.308 1 1 1237 . 1 1 1 A 128 128 ASP HA H 128 4.550 4.564 -0.014 1 1 1240 . 1 1 1 A 128 128 ASP CA C 128 52.900 53.919 -1.019 1 1 1241 . 1 1 1 A 128 128 ASP CB C 128 39.600 40.828 -1.228 1 1 1242 . 1 1 1 A 128 128 ASP N N 128 113.100 114.647 -1.547 1 1 1243 . 1 1 1 A 129 129 ARG H H 129 8.500 8.191 0.309 1 1 1244 . 1 1 1 A 129 129 ARG HA H 129 3.500 3.904 -0.404 1 1 1251 . 1 1 1 A 129 129 ARG CA C 129 57.600 56.863 0.737 1 1 1252 . 1 1 1 A 129 129 ARG CB C 129 26.900 28.708 -1.808 1 1 1255 . 1 1 1 A 129 129 ARG N N 129 113.100 119.504 -6.404 1 1 1256 . 1 1 1 A 130 130 SER H H 130 8.050 8.255 -0.205 1 1 1257 . 1 1 1 A 130 130 SER HA H 130 4.020 4.729 -0.709 1 1 1260 . 1 1 1 A 130 130 SER CA C 130 60.100 59.232 0.868 1 1 1261 . 1 1 1 A 130 130 SER CB C 130 63.600 65.316 -1.716 1 1 1262 . 1 1 1 A 130 130 SER N N 130 111.100 115.509 -4.409 1 1 1263 . 1 1 1 A 131 131 GLU H H 131 7.060 7.695 -0.635 1 1 1264 . 1 1 1 A 131 131 GLU HA H 131 4.420 4.562 -0.142 1 1 1269 . 1 1 1 A 131 131 GLU CA C 131 54.400 55.141 -0.741 1 1 1270 . 1 1 1 A 131 131 GLU CB C 131 31.800 31.202 0.598 1 1 1272 . 1 1 1 A 131 131 GLU N N 131 114.400 115.156 -0.756 1 1 1273 . 1 1 1 A 132 132 PHE H H 132 8.740 8.611 0.129 1 1 1274 . 1 1 1 A 132 132 PHE HA H 132 5.390 5.528 -0.138 1 1 1282 . 1 1 1 A 132 132 PHE CA C 132 57.200 56.642 0.558 1 1 1283 . 1 1 1 A 132 132 PHE CB C 132 42.900 41.897 1.003 1 1 1287 . 1 1 1 A 132 132 PHE N N 132 117.300 117.398 -0.098 1 1 1288 . 1 1 1 A 133 133 HIS H H 133 9.870 9.566 0.304 1 1 1289 . 1 1 1 A 133 133 HIS HA H 133 5.380 5.321 0.059 1 1 1294 . 1 1 1 A 133 133 HIS CA C 133 53.300 54.625 -1.325 1 1 1295 . 1 1 1 A 133 133 HIS CB C 133 32.700 33.117 -0.417 1 1 1298 . 1 1 1 A 133 133 HIS N N 133 117.900 118.491 -0.591 1 1 1299 . 1 1 1 A 134 134 ARG H H 134 9.080 8.741 0.339 1 1 1300 . 1 1 1 A 134 134 ARG HA H 134 3.500 4.146 -0.646 1 1 1307 . 1 1 1 A 134 134 ARG CA C 134 57.100 56.272 0.828 1 1 1308 . 1 1 1 A 134 134 ARG CB C 134 30.100 31.056 -0.956 1 1 1311 . 1 1 1 A 134 134 ARG N N 134 125.600 124.136 1.464 1 1 1312 . 1 1 1 A 135 135 GLU H H 135 8.410 8.274 0.136 1 1 1313 . 1 1 1 A 135 135 GLU HA H 135 4.550 4.895 -0.345 1 1 1318 . 1 1 1 A 135 135 GLU CA C 135 54.000 54.492 -0.492 1 1 1319 . 1 1 1 A 135 135 GLU CB C 135 33.000 33.392 -0.392 1 1 1321 . 1 1 1 A 135 135 GLU N N 135 128.500 126.967 1.533 1 1 1322 . 1 1 1 A 136 136 ASP H H 136 8.480 8.622 -0.142 1 1 1323 . 1 1 1 A 136 136 ASP HA H 136 4.460 4.685 -0.225 1 1 1326 . 1 1 1 A 136 136 ASP CA C 136 54.700 53.751 0.949 1 1 1327 . 1 1 1 A 136 136 ASP CB C 136 41.500 41.824 -0.324 1 1 1328 . 1 1 1 A 136 136 ASP N N 136 124.300 125.441 -1.141 1 1 1329 . 1 1 1 A 137 137 ILE H H 137 8.340 8.476 -0.136 1 1 1330 . 1 1 1 A 137 137 ILE HA H 137 4.570 4.307 0.263 1 1 1340 . 1 1 1 A 137 137 ILE CA C 137 61.400 60.493 0.907 1 1 1341 . 1 1 1 A 137 137 ILE CB C 137 38.600 36.810 1.790 1 1 1345 . 1 1 1 A 137 137 ILE N N 137 121.100 124.237 -3.137 1 1 1346 . 1 1 1 A 138 138 VAL H H 138 8.730 8.975 -0.245 1 1 1347 . 1 1 1 A 138 138 VAL HA H 138 4.570 4.922 -0.352 1 1 1355 . 1 1 1 A 138 138 VAL CA C 138 59.800 59.425 0.375 1 1 1356 . 1 1 1 A 138 138 VAL CB C 138 34.700 34.548 0.152 1 1 1359 . 1 1 1 A 138 138 VAL N N 138 125.100 122.234 2.866 1 1 1360 . 1 1 1 A 139 139 ARG H H 139 8.390 8.424 -0.034 1 1 1361 . 1 1 1 A 139 139 ARG HA H 139 5.210 4.947 0.263 1 1 1368 . 1 1 1 A 139 139 ARG CA C 139 53.500 53.809 -0.309 1 1 1369 . 1 1 1 A 139 139 ARG CB C 139 30.100 29.895 0.205 1 1 1372 . 1 1 1 A 139 139 ARG N N 139 122.800 124.172 -1.372 1 1 1373 . 1 1 1 A 140 140 PRO HA H 140 4.380 4.399 -0.019 1 1 1380 . 1 1 1 A 140 140 PRO CA C 140 62.400 62.991 -0.591 1 1 1381 . 1 1 1 A 140 140 PRO CB C 140 32.000 31.841 0.159 1 1 1384 . 1 1 1 A 141 141 ASP H H 141 8.520 8.407 0.113 1 1 1385 . 1 1 1 A 141 141 ASP HA H 141 4.780 4.643 0.137 1 1 1388 . 1 1 1 A 141 141 ASP CA C 141 54.500 52.909 1.591 1 1 1389 . 1 1 1 A 141 141 ASP CB C 141 40.600 39.771 0.829 1 1 1390 . 1 1 1 A 141 141 ASP N N 141 122.200 121.684 0.516 1 1 1391 . 1 1 1 A 142 142 PRO HA H 142 4.380 4.437 -0.057 1 1 1398 . 1 1 1 A 142 142 PRO CA C 142 63.500 63.813 -0.313 1 1 1399 . 1 1 1 A 142 142 PRO CB C 142 32.000 31.559 0.441 1 1 1402 . 1 1 1 A 143 143 GLU H H 143 8.460 8.213 0.247 1 1 1403 . 1 1 1 A 143 143 GLU HA H 143 4.260 4.461 -0.201 1 1 1408 . 1 1 1 A 143 143 GLU CA C 143 56.000 56.773 -0.773 1 1 1409 . 1 1 1 A 143 143 GLU CB C 143 30.000 31.932 -1.932 1 1 1411 . 1 1 1 A 143 143 GLU N N 143 119.500 118.367 1.133 1 1 1412 . 1 1 1 A 144 144 ALA H H 144 8.030 7.890 0.140 1 1 1413 . 1 1 1 A 144 144 ALA HA H 144 4.590 4.033 0.557 1 1 1417 . 1 1 1 A 144 144 ALA CA C 144 50.300 52.562 -2.262 1 1 1418 . 1 1 1 A 144 144 ALA CB C 144 18.300 17.838 0.462 1 1 1419 . 1 1 1 A 144 144 ALA N N 144 125.800 120.801 4.999 1 1 1420 . 1 1 1 A 145 145 PRO HA H 145 4.400 4.602 -0.202 1 1 1427 . 1 1 1 A 145 145 PRO CA C 145 62.900 62.302 0.598 1 1 1428 . 1 1 1 A 145 145 PRO CB C 145 32.000 33.077 -1.077 1 1 1431 . 1 1 1 A 146 146 LEU H H 146 8.330 8.382 -0.052 1 1 1432 . 1 1 1 A 146 146 LEU HA H 146 4.230 4.305 -0.075 1 1 1442 . 1 1 1 A 146 146 LEU CA C 146 55.100 53.992 1.108 1 1 1443 . 1 1 1 A 146 146 LEU CB C 146 42.200 42.918 -0.718 1 1 1447 . 1 1 1 A 146 146 LEU N N 146 122.100 119.703 2.397 1 1 1448 . 1 1 1 A 147 147 GLU H H 147 8.300 8.430 -0.130 1 1 1449 . 1 1 1 A 147 147 GLU HA H 147 4.220 4.511 -0.291 1 1 1454 . 1 1 1 A 147 147 GLU CA C 147 56.200 56.957 -0.757 1 1 1455 . 1 1 1 A 147 147 GLU CB C 147 30.300 31.131 -0.831 1 1 13 . 2 1 1 A 2 2 LYS H H 2 9.020 8.895 0.125 1 1 14 . 2 1 1 A 2 2 LYS HA H 2 5.640 5.433 0.207 1 1 23 . 2 1 1 A 2 2 LYS CA C 2 53.700 54.997 -1.297 1 1 24 . 2 1 1 A 2 2 LYS CB C 2 34.900 34.065 0.835 1 1 28 . 2 1 1 A 2 2 LYS N N 2 125.700 126.816 -1.116 1 1 29 . 2 1 1 A 3 3 THR H H 3 8.850 8.753 0.097 1 1 30 . 2 1 1 A 3 3 THR HA H 3 4.660 4.780 -0.120 1 1 36 . 2 1 1 A 3 3 THR CA C 3 61.600 60.643 0.957 1 1 37 . 2 1 1 A 3 3 THR CB C 3 68.200 70.331 -2.131 1 1 39 . 2 1 1 A 3 3 THR N N 3 117.000 116.819 0.181 1 1 40 . 2 1 1 A 4 4 THR H H 4 8.100 8.299 -0.199 1 1 41 . 2 1 1 A 4 4 THR HA H 4 4.790 4.933 -0.143 1 1 46 . 2 1 1 A 4 4 THR CA C 4 58.500 58.822 -0.322 1 1 47 . 2 1 1 A 4 4 THR CB C 4 68.400 69.695 -1.295 1 1 49 . 2 1 1 A 4 4 THR N N 4 110.200 116.213 -6.013 1 1 50 . 2 1 1 A 5 5 PRO HA H 5 4.110 4.265 -0.155 1 1 57 . 2 1 1 A 5 5 PRO CA C 5 65.300 65.291 0.009 1 1 58 . 2 1 1 A 5 5 PRO CB C 5 31.800 31.734 0.066 1 1 61 . 2 1 1 A 6 6 ASP H H 6 8.530 8.304 0.226 1 1 62 . 2 1 1 A 6 6 ASP HA H 6 4.350 4.381 -0.031 1 1 65 . 2 1 1 A 6 6 ASP CA C 6 56.300 57.081 -0.781 1 1 66 . 2 1 1 A 6 6 ASP CB C 6 39.500 41.442 -1.942 1 1 67 . 2 1 1 A 6 6 ASP N N 6 114.600 117.698 -3.098 1 1 68 . 2 1 1 A 7 7 ILE H H 7 7.270 7.533 -0.263 1 1 69 . 2 1 1 A 7 7 ILE HA H 7 3.620 3.627 -0.007 1 1 79 . 2 1 1 A 7 7 ILE CA C 7 61.900 65.390 -3.490 1 1 80 . 2 1 1 A 7 7 ILE CB C 7 34.900 37.587 -2.687 1 1 84 . 2 1 1 A 7 7 ILE N N 7 121.700 119.084 2.616 1 1 85 . 2 1 1 A 8 8 LEU H H 8 6.960 8.012 -1.052 1 1 86 . 2 1 1 A 8 8 LEU HA H 8 3.710 3.778 -0.068 1 1 96 . 2 1 1 A 8 8 LEU CA C 8 57.800 57.987 -0.187 1 1 97 . 2 1 1 A 8 8 LEU CB C 8 39.900 41.186 -1.286 1 1 101 . 2 1 1 A 8 8 LEU N N 8 117.200 119.720 -2.520 1 1 102 . 2 1 1 A 9 9 ASP H H 9 8.220 8.399 -0.179 1 1 103 . 2 1 1 A 9 9 ASP HA H 9 4.330 4.223 0.107 1 1 106 . 2 1 1 A 9 9 ASP CA C 9 57.600 57.798 -0.198 1 1 107 . 2 1 1 A 9 9 ASP CB C 9 40.100 40.928 -0.828 1 1 108 . 2 1 1 A 9 9 ASP N N 9 117.600 119.215 -1.615 1 1 109 . 2 1 1 A 10 10 GLN H H 10 7.630 7.779 -0.149 1 1 110 . 2 1 1 A 10 10 GLN HA H 10 3.850 3.853 -0.003 1 1 117 . 2 1 1 A 10 10 GLN CA C 10 59.200 58.536 0.664 1 1 118 . 2 1 1 A 10 10 GLN CB C 10 29.300 28.179 1.121 1 1 120 . 2 1 1 A 10 10 GLN N N 10 118.700 117.982 0.718 1 1 122 . 2 1 1 A 11 11 ILE H H 11 7.590 7.831 -0.241 1 1 123 . 2 1 1 A 11 11 ILE HA H 11 2.960 3.160 -0.200 1 1 133 . 2 1 1 A 11 11 ILE CA C 11 65.800 64.371 1.429 1 1 134 . 2 1 1 A 11 11 ILE CB C 11 37.500 37.103 0.397 1 1 138 . 2 1 1 A 11 11 ILE N N 11 121.700 120.781 0.919 1 1 139 . 2 1 1 A 12 12 ARG H H 12 7.720 8.045 -0.325 1 1 140 . 2 1 1 A 12 12 ARG HA H 12 3.610 4.044 -0.434 1 1 147 . 2 1 1 A 12 12 ARG CA C 12 61.300 58.532 2.768 1 1 148 . 2 1 1 A 12 12 ARG CB C 12 30.100 29.884 0.216 1 1 151 . 2 1 1 A 12 12 ARG N N 12 118.400 120.239 -1.839 1 1 152 . 2 1 1 A 13 13 VAL H H 13 8.480 7.438 1.042 1 1 153 . 2 1 1 A 13 13 VAL HA H 13 3.640 3.606 0.034 1 1 161 . 2 1 1 A 13 13 VAL CA C 13 66.400 66.066 0.334 1 1 162 . 2 1 1 A 13 13 VAL CB C 13 31.600 31.501 0.099 1 1 165 . 2 1 1 A 13 13 VAL N N 13 118.400 120.783 -2.383 1 1 166 . 2 1 1 A 14 14 HIS H H 14 7.790 7.726 0.064 1 1 167 . 2 1 1 A 14 14 HIS HA H 14 4.620 4.370 0.250 1 1 172 . 2 1 1 A 14 14 HIS CA C 14 57.500 58.099 -0.599 1 1 173 . 2 1 1 A 14 14 HIS CB C 14 31.100 28.551 2.549 1 1 176 . 2 1 1 A 14 14 HIS N N 14 119.600 117.713 1.887 1 1 177 . 2 1 1 A 15 15 GLY H H 15 8.290 7.949 0.341 1 1 178 . 2 1 1 A 15 15 GLY HA2 H 15 3.400 3.862 -0.462 1 1 179 . 2 1 1 A 15 15 GLY HA3 H 15 3.620 3.875 -0.255 1 1 180 . 2 1 1 A 15 15 GLY CA C 15 47.800 47.422 0.378 1 1 181 . 2 1 1 A 15 15 GLY N N 15 104.200 107.523 -3.323 1 1 182 . 2 1 1 A 16 16 ALA H H 16 8.650 7.985 0.665 1 1 183 . 2 1 1 A 16 16 ALA HA H 16 3.940 4.112 -0.172 1 1 187 . 2 1 1 A 16 16 ALA CA C 16 55.500 54.590 0.910 1 1 188 . 2 1 1 A 16 16 ALA CB C 16 18.600 18.291 0.309 1 1 189 . 2 1 1 A 16 16 ALA N N 16 125.700 125.060 0.640 1 1 190 . 2 1 1 A 17 17 ASP H H 17 9.020 8.586 0.434 1 1 191 . 2 1 1 A 17 17 ASP HA H 17 4.420 4.436 -0.016 1 1 194 . 2 1 1 A 17 17 ASP CA C 17 56.700 57.437 -0.737 1 1 195 . 2 1 1 A 17 17 ASP CB C 17 41.300 41.594 -0.294 1 1 196 . 2 1 1 A 17 17 ASP N N 17 119.300 119.637 -0.337 1 1 197 . 2 1 1 A 18 18 ALA H H 18 8.210 7.472 0.738 1 1 198 . 2 1 1 A 18 18 ALA HA H 18 4.180 4.531 -0.351 1 1 202 . 2 1 1 A 18 18 ALA CA C 18 53.100 51.142 1.958 1 1 203 . 2 1 1 A 18 18 ALA CB C 18 19.000 19.750 -0.750 1 1 204 . 2 1 1 A 18 18 ALA N N 18 118.300 117.902 0.398 1 1 205 . 2 1 1 A 19 19 TYR H H 19 7.080 7.395 -0.315 1 1 206 . 2 1 1 A 19 19 TYR HA H 19 4.190 4.414 -0.224 1 1 213 . 2 1 1 A 19 19 TYR CA C 19 58.300 57.328 0.972 1 1 214 . 2 1 1 A 19 19 TYR CB C 19 39.100 39.388 -0.288 1 1 217 . 2 1 1 A 19 19 TYR N N 19 118.200 122.660 -4.460 1 1 218 . 2 1 1 A 20 20 PRO HA H 20 2.690 3.912 -1.222 1 1 225 . 2 1 1 A 20 20 PRO CA C 20 63.300 63.681 -0.381 1 1 226 . 2 1 1 A 20 20 PRO CB C 20 33.500 31.581 1.919 1 1 229 . 2 1 1 A 21 21 GLU H H 21 8.660 7.096 1.564 1 1 230 . 2 1 1 A 21 21 GLU HA H 21 4.420 4.526 -0.106 1 1 235 . 2 1 1 A 21 21 GLU CA C 21 55.300 55.692 -0.392 1 1 236 . 2 1 1 A 21 21 GLU CB C 21 30.400 32.022 -1.622 1 1 238 . 2 1 1 A 21 21 GLU N N 21 124.800 112.282 12.518 1 1 239 . 2 1 1 A 22 22 GLU H H 22 8.290 8.752 -0.462 1 1 240 . 2 1 1 A 22 22 GLU HA H 22 3.990 4.509 -0.519 1 1 245 . 2 1 1 A 22 22 GLU CA C 22 56.400 55.991 0.409 1 1 246 . 2 1 1 A 22 22 GLU CB C 22 30.900 31.014 -0.114 1 1 248 . 2 1 1 A 22 22 GLU N N 22 119.700 122.345 -2.645 1 1 249 . 2 1 1 A 23 23 GLY H H 23 8.770 7.214 1.556 1 1 250 . 2 1 1 A 23 23 GLY HA2 H 23 2.430 4.008 -1.578 1 1 251 . 2 1 1 A 23 23 GLY HA3 H 23 4.270 4.010 0.260 1 1 252 . 2 1 1 A 23 23 GLY CA C 23 42.900 45.097 -2.197 1 1 253 . 2 1 1 A 23 23 GLY N N 23 112.400 107.528 4.872 1 1 254 . 2 1 1 A 24 24 CYS H H 24 8.580 7.848 0.732 1 1 255 . 2 1 1 A 24 24 CYS HA H 24 4.630 4.922 -0.292 1 1 258 . 2 1 1 A 24 24 CYS CA C 24 54.900 58.426 -3.526 1 1 259 . 2 1 1 A 24 24 CYS CB C 24 31.300 30.113 1.187 1 1 260 . 2 1 1 A 24 24 CYS N N 24 118.100 119.125 -1.025 1 1 261 . 2 1 1 A 25 25 GLY H H 25 6.730 7.372 -0.642 1 1 262 . 2 1 1 A 25 25 GLY HA2 H 25 3.650 3.525 0.125 1 1 263 . 2 1 1 A 25 25 GLY HA3 H 25 4.030 4.022 0.008 1 1 264 . 2 1 1 A 25 25 GLY CA C 25 45.900 43.608 2.292 1 1 265 . 2 1 1 A 25 25 GLY N N 25 104.600 108.501 -3.901 1 1 266 . 2 1 1 A 26 26 PHE H H 26 9.350 9.126 0.224 1 1 267 . 2 1 1 A 26 26 PHE HA H 26 5.130 5.135 -0.005 1 1 275 . 2 1 1 A 26 26 PHE CA C 26 56.900 56.879 0.021 1 1 276 . 2 1 1 A 26 26 PHE CB C 26 43.300 42.157 1.143 1 1 280 . 2 1 1 A 26 26 PHE N N 26 114.900 119.780 -4.880 1 1 281 . 2 1 1 A 27 27 LEU H H 27 8.320 9.653 -1.333 1 1 282 . 2 1 1 A 27 27 LEU HA H 27 4.590 5.113 -0.523 1 1 292 . 2 1 1 A 27 27 LEU CA C 27 52.900 53.932 -1.032 1 1 293 . 2 1 1 A 27 27 LEU CB C 27 41.200 42.331 -1.131 1 1 297 . 2 1 1 A 27 27 LEU N N 27 119.100 123.847 -4.747 1 1 298 . 2 1 1 A 28 28 LEU H H 28 9.050 9.162 -0.112 1 1 299 . 2 1 1 A 28 28 LEU HA H 28 5.390 5.345 0.045 1 1 309 . 2 1 1 A 28 28 LEU CA C 28 51.900 53.203 -1.303 1 1 310 . 2 1 1 A 28 28 LEU CB C 28 42.900 43.742 -0.842 1 1 314 . 2 1 1 A 28 28 LEU N N 28 123.500 125.667 -2.167 1 1 315 . 2 1 1 A 29 29 GLY H H 29 9.950 8.456 1.494 1 1 316 . 2 1 1 A 29 29 GLY HA2 H 29 5.270 4.284 0.986 1 1 317 . 2 1 1 A 29 29 GLY HA3 H 29 3.900 4.284 -0.384 1 1 318 . 2 1 1 A 29 29 GLY CA C 29 46.700 46.162 0.538 1 1 319 . 2 1 1 A 29 29 GLY N N 29 112.400 110.274 2.126 1 1 320 . 2 1 1 A 30 30 THR H H 30 8.810 8.257 0.553 1 1 321 . 2 1 1 A 30 30 THR HA H 30 4.810 5.364 -0.554 1 1 326 . 2 1 1 A 30 30 THR CA C 30 59.900 59.764 0.136 1 1 327 . 2 1 1 A 30 30 THR CB C 30 72.200 72.187 0.013 1 1 329 . 2 1 1 A 30 30 THR N N 30 116.000 116.732 -0.732 1 1 330 . 2 1 1 A 31 31 VAL H H 31 8.530 8.715 -0.185 1 1 331 . 2 1 1 A 31 31 VAL HA H 31 4.830 4.449 0.381 1 1 339 . 2 1 1 A 31 31 VAL CA C 31 61.900 61.846 0.054 1 1 340 . 2 1 1 A 31 31 VAL CB C 31 32.200 32.202 -0.002 1 1 343 . 2 1 1 A 31 31 VAL N N 31 124.200 123.038 1.162 1 1 344 . 2 1 1 A 32 32 THR H H 32 9.040 8.893 0.147 1 1 345 . 2 1 1 A 32 32 THR HA H 32 4.580 4.540 0.040 1 1 350 . 2 1 1 A 32 32 THR CA C 32 61.200 60.845 0.355 1 1 351 . 2 1 1 A 32 32 THR CB C 32 70.700 71.155 -0.455 1 1 353 . 2 1 1 A 32 32 THR N N 32 118.900 120.447 -1.547 1 1 354 . 2 1 1 A 33 33 ASP H H 33 8.980 8.956 0.024 1 1 355 . 2 1 1 A 33 33 ASP HA H 33 4.400 4.369 0.031 1 1 358 . 2 1 1 A 33 33 ASP CA C 33 56.800 56.709 0.091 1 1 359 . 2 1 1 A 33 33 ASP CB C 33 40.100 40.343 -0.243 1 1 360 . 2 1 1 A 33 33 ASP N N 33 121.100 121.829 -0.729 1 1 361 . 2 1 1 A 34 34 ASP H H 34 7.960 7.801 0.159 1 1 362 . 2 1 1 A 34 34 ASP HA H 34 4.640 4.616 0.024 1 1 365 . 2 1 1 A 34 34 ASP CA C 34 53.500 54.555 -1.055 1 1 366 . 2 1 1 A 34 34 ASP CB C 34 40.400 41.320 -0.920 1 1 367 . 2 1 1 A 34 34 ASP N N 34 115.400 117.162 -1.762 1 1 368 . 2 1 1 A 35 35 GLY H H 35 8.080 7.826 0.254 1 1 369 . 2 1 1 A 35 35 GLY HA2 H 35 3.590 4.029 -0.439 1 1 370 . 2 1 1 A 35 35 GLY HA3 H 35 4.200 4.033 0.167 1 1 371 . 2 1 1 A 35 35 GLY CA C 35 45.400 44.960 0.440 1 1 372 . 2 1 1 A 35 35 GLY N N 35 108.400 107.455 0.945 1 1 373 . 2 1 1 A 36 36 ASP H H 36 7.690 7.702 -0.012 1 1 374 . 2 1 1 A 36 36 ASP HA H 36 4.790 4.843 -0.053 1 1 377 . 2 1 1 A 36 36 ASP CA C 36 51.900 53.378 -1.478 1 1 378 . 2 1 1 A 36 36 ASP CB C 36 42.300 42.107 0.193 1 1 379 . 2 1 1 A 36 36 ASP N N 36 120.100 122.217 -2.117 1 1 380 . 2 1 1 A 37 37 ASN H H 37 8.920 8.652 0.268 1 1 381 . 2 1 1 A 37 37 ASN HA H 37 5.180 5.154 0.026 1 1 386 . 2 1 1 A 37 37 ASN CA C 37 52.900 52.602 0.298 1 1 387 . 2 1 1 A 37 37 ASN CB C 37 38.800 39.782 -0.982 1 1 388 . 2 1 1 A 37 37 ASN N N 37 119.000 122.091 -3.091 1 1 390 . 2 1 1 A 38 38 ARG H H 38 9.480 8.946 0.534 1 1 391 . 2 1 1 A 38 38 ARG HA H 38 5.310 5.232 0.078 1 1 398 . 2 1 1 A 38 38 ARG CA C 38 53.500 54.596 -1.096 1 1 399 . 2 1 1 A 38 38 ARG CB C 38 31.000 33.448 -2.448 1 1 402 . 2 1 1 A 38 38 ARG N N 38 126.900 121.791 5.109 1 1 403 . 2 1 1 A 39 39 VAL H H 39 8.810 9.056 -0.246 1 1 404 . 2 1 1 A 39 39 VAL HA H 39 4.150 4.531 -0.381 1 1 412 . 2 1 1 A 39 39 VAL CA C 39 62.800 61.555 1.245 1 1 413 . 2 1 1 A 39 39 VAL CB C 39 33.100 33.255 -0.155 1 1 416 . 2 1 1 A 39 39 VAL N N 39 125.700 123.120 2.580 1 1 417 . 2 1 1 A 40 40 ALA H H 40 9.680 8.943 0.737 1 1 418 . 2 1 1 A 40 40 ALA HA H 40 4.690 4.565 0.125 1 1 422 . 2 1 1 A 40 40 ALA CA C 40 51.300 52.593 -1.293 1 1 423 . 2 1 1 A 40 40 ALA CB C 40 22.700 20.821 1.879 1 1 424 . 2 1 1 A 40 40 ALA N N 40 102.300 129.535 -27.235 1 1 425 . 2 1 1 A 41 41 ALA H H 41 8.370 7.934 0.436 1 1 426 . 2 1 1 A 41 41 ALA HA H 41 4.530 4.880 -0.350 1 1 430 . 2 1 1 A 41 41 ALA CA C 41 51.700 51.649 0.051 1 1 431 . 2 1 1 A 41 41 ALA CB C 41 22.200 23.163 -0.963 1 1 432 . 2 1 1 A 41 41 ALA N N 41 120.200 118.189 2.011 1 1 433 . 2 1 1 A 42 42 LEU H H 42 8.690 8.646 0.044 1 1 434 . 2 1 1 A 42 42 LEU HA H 42 5.320 5.260 0.060 1 1 444 . 2 1 1 A 42 42 LEU CA C 42 53.500 53.938 -0.438 1 1 445 . 2 1 1 A 42 42 LEU CB C 42 46.300 45.853 0.447 1 1 449 . 2 1 1 A 42 42 LEU N N 42 118.300 119.185 -0.885 1 1 450 . 2 1 1 A 43 43 HIS H H 43 8.820 8.937 -0.117 1 1 451 . 2 1 1 A 43 43 HIS HA H 43 4.870 5.389 -0.519 1 1 456 . 2 1 1 A 43 43 HIS CA C 43 56.300 54.540 1.760 1 1 457 . 2 1 1 A 43 43 HIS CB C 43 34.200 33.449 0.751 1 1 460 . 2 1 1 A 43 43 HIS N N 43 120.700 124.321 -3.621 1 1 461 . 2 1 1 A 44 44 ARG H H 44 8.580 8.271 0.309 1 1 462 . 2 1 1 A 44 44 ARG HA H 44 4.420 4.376 0.044 1 1 469 . 2 1 1 A 44 44 ARG CA C 44 57.400 55.495 1.905 1 1 470 . 2 1 1 A 44 44 ARG CB C 44 31.100 31.281 -0.181 1 1 473 . 2 1 1 A 44 44 ARG N N 44 128.300 128.730 -0.430 1 1 474 . 2 1 1 A 45 45 ALA H H 45 8.580 9.162 -0.582 1 1 475 . 2 1 1 A 45 45 ALA HA H 45 4.720 5.039 -0.319 1 1 479 . 2 1 1 A 45 45 ALA CA C 45 51.500 51.168 0.332 1 1 480 . 2 1 1 A 45 45 ALA CB C 45 20.200 18.811 1.389 1 1 481 . 2 1 1 A 45 45 ALA N N 45 125.700 128.718 -3.018 1 1 482 . 2 1 1 A 46 46 THR H H 46 8.250 8.339 -0.089 1 1 483 . 2 1 1 A 46 46 THR HA H 46 4.270 4.344 -0.074 1 1 488 . 2 1 1 A 46 46 THR CA C 46 62.000 62.547 -0.547 1 1 489 . 2 1 1 A 46 46 THR CB C 46 69.900 69.176 0.724 1 1 491 . 2 1 1 A 46 46 THR N N 46 115.500 118.450 -2.950 1 1 492 . 2 1 1 A 47 47 ASN H H 47 8.590 8.673 -0.083 1 1 493 . 2 1 1 A 47 47 ASN HA H 47 4.620 4.618 0.002 1 1 498 . 2 1 1 A 47 47 ASN CA C 47 53.400 54.812 -1.412 1 1 499 . 2 1 1 A 47 47 ASN CB C 47 38.400 38.206 0.194 1 1 500 . 2 1 1 A 47 47 ASN N N 47 122.400 123.663 -1.263 1 1 502 . 2 1 1 A 50 50 SER H H 50 8.480 8.048 0.432 1 1 503 . 2 1 1 A 50 50 SER HA H 50 4.400 4.802 -0.402 1 1 506 . 2 1 1 A 50 50 SER CA C 50 58.900 59.765 -0.865 1 1 507 . 2 1 1 A 50 50 SER CB C 50 63.600 65.421 -1.821 1 1 508 . 2 1 1 A 50 50 SER N N 50 116.600 113.524 3.076 1 1 509 . 2 1 1 A 51 51 GLU H H 51 8.510 8.345 0.165 1 1 510 . 2 1 1 A 51 51 GLU HA H 51 4.300 4.184 0.116 1 1 515 . 2 1 1 A 51 51 GLU CA C 51 56.800 58.472 -1.672 1 1 516 . 2 1 1 A 51 51 GLU CB C 51 29.900 29.706 0.194 1 1 518 . 2 1 1 A 51 51 GLU N N 51 121.800 121.272 0.528 1 1 519 . 2 1 1 A 52 52 GLN H H 52 8.300 8.317 -0.017 1 1 520 . 2 1 1 A 52 52 GLN HA H 52 4.310 4.249 0.061 1 1 527 . 2 1 1 A 52 52 GLN CA C 52 55.900 57.720 -1.820 1 1 528 . 2 1 1 A 52 52 GLN CB C 52 29.000 28.557 0.443 1 1 530 . 2 1 1 A 52 52 GLN N N 52 119.500 119.879 -0.379 1 1 532 . 2 1 1 A 53 53 ARG H H 53 8.350 8.556 -0.206 1 1 533 . 2 1 1 A 53 53 ARG HA H 53 4.310 4.232 0.078 1 1 540 . 2 1 1 A 53 53 ARG CA C 53 56.800 59.069 -2.269 1 1 541 . 2 1 1 A 53 53 ARG CB C 53 30.700 30.282 0.418 1 1 544 . 2 1 1 A 53 53 ARG N N 53 121.000 118.695 2.305 1 1 545 . 2 1 1 A 54 54 THR H H 54 8.140 7.847 0.293 1 1 546 . 2 1 1 A 54 54 THR HA H 54 4.340 4.775 -0.435 1 1 551 . 2 1 1 A 54 54 THR CA C 54 61.900 60.467 1.433 1 1 552 . 2 1 1 A 54 54 THR CB C 54 69.600 70.780 -1.180 1 1 554 . 2 1 1 A 54 54 THR N N 54 113.100 111.922 1.178 1 1 555 . 2 1 1 A 64 64 TYR H H 64 8.220 8.801 -0.581 1 1 556 . 2 1 1 A 64 64 TYR HA H 64 3.360 3.376 -0.016 1 1 563 . 2 1 1 A 64 64 TYR CA C 64 61.600 61.902 -0.302 1 1 564 . 2 1 1 A 64 64 TYR CB C 64 37.700 38.609 -0.909 1 1 567 . 2 1 1 A 64 64 TYR N N 64 120.700 119.384 1.316 1 1 568 . 2 1 1 A 65 65 ARG H H 65 8.340 8.779 -0.439 1 1 569 . 2 1 1 A 65 65 ARG HA H 65 3.930 3.664 0.266 1 1 576 . 2 1 1 A 65 65 ARG CA C 65 59.600 59.537 0.063 1 1 577 . 2 1 1 A 65 65 ARG CB C 65 30.100 29.878 0.222 1 1 580 . 2 1 1 A 65 65 ARG N N 65 119.200 118.458 0.742 1 1 581 . 2 1 1 A 66 66 ALA H H 66 7.790 7.820 -0.030 1 1 582 . 2 1 1 A 66 66 ALA HA H 66 4.090 4.000 0.090 1 1 586 . 2 1 1 A 66 66 ALA CA C 66 54.700 54.739 -0.039 1 1 587 . 2 1 1 A 66 66 ALA CB C 66 18.100 18.142 -0.042 1 1 588 . 2 1 1 A 66 66 ALA N N 66 121.900 121.883 0.017 1 1 589 . 2 1 1 A 67 67 ALA H H 67 7.550 7.487 0.063 1 1 590 . 2 1 1 A 67 67 ALA HA H 67 2.940 3.035 -0.095 1 1 594 . 2 1 1 A 67 67 ALA CA C 67 54.300 54.565 -0.265 1 1 595 . 2 1 1 A 67 67 ALA CB C 67 18.000 17.576 0.424 1 1 596 . 2 1 1 A 67 67 ALA N N 67 123.000 120.436 2.564 1 1 597 . 2 1 1 A 68 68 ASP H H 68 8.320 8.467 -0.147 1 1 598 . 2 1 1 A 68 68 ASP HA H 68 4.100 4.003 0.097 1 1 601 . 2 1 1 A 68 68 ASP CA C 68 56.800 56.092 0.708 1 1 602 . 2 1 1 A 68 68 ASP CB C 68 41.400 40.629 0.771 1 1 603 . 2 1 1 A 68 68 ASP N N 68 118.100 117.892 0.208 1 1 604 . 2 1 1 A 69 69 ALA H H 69 7.790 8.065 -0.275 1 1 605 . 2 1 1 A 69 69 ALA HA H 69 4.010 3.943 0.067 1 1 609 . 2 1 1 A 69 69 ALA CA C 69 55.000 55.029 -0.029 1 1 610 . 2 1 1 A 69 69 ALA CB C 69 17.600 17.965 -0.365 1 1 611 . 2 1 1 A 69 69 ALA N N 69 121.200 120.641 0.559 1 1 612 . 2 1 1 A 70 70 ALA H H 70 7.490 7.968 -0.478 1 1 613 . 2 1 1 A 70 70 ALA HA H 70 4.070 4.124 -0.054 1 1 617 . 2 1 1 A 70 70 ALA CA C 70 54.500 54.870 -0.370 1 1 618 . 2 1 1 A 70 70 ALA CB C 70 17.900 18.249 -0.349 1 1 619 . 2 1 1 A 70 70 ALA N N 70 121.200 120.004 1.196 1 1 620 . 2 1 1 A 71 71 ALA H H 71 8.620 8.103 0.517 1 1 621 . 2 1 1 A 71 71 ALA HA H 71 3.660 3.969 -0.309 1 1 625 . 2 1 1 A 71 71 ALA CA C 71 55.300 55.332 -0.032 1 1 626 . 2 1 1 A 71 71 ALA CB C 71 17.800 18.092 -0.292 1 1 627 . 2 1 1 A 71 71 ALA N N 71 121.600 120.561 1.039 1 1 628 . 2 1 1 A 72 72 GLN H H 72 8.700 8.089 0.611 1 1 629 . 2 1 1 A 72 72 GLN HA H 72 4.080 4.001 0.079 1 1 636 . 2 1 1 A 72 72 GLN CA C 72 59.000 58.423 0.577 1 1 637 . 2 1 1 A 72 72 GLN CB C 72 28.000 28.001 -0.001 1 1 639 . 2 1 1 A 72 72 GLN N N 72 118.600 116.502 2.098 1 1 641 . 2 1 1 A 73 73 GLU H H 73 7.640 8.351 -0.711 1 1 642 . 2 1 1 A 73 73 GLU HA H 73 4.080 4.060 0.020 1 1 647 . 2 1 1 A 73 73 GLU CA C 73 58.800 59.177 -0.377 1 1 648 . 2 1 1 A 73 73 GLU CB C 73 29.600 29.383 0.217 1 1 650 . 2 1 1 A 73 73 GLU N N 73 119.000 119.388 -0.388 1 1 651 . 2 1 1 A 74 74 GLN H H 74 7.400 7.708 -0.308 1 1 652 . 2 1 1 A 74 74 GLN HA H 74 4.470 4.359 0.111 1 1 659 . 2 1 1 A 74 74 GLN CA C 74 55.000 55.304 -0.304 1 1 660 . 2 1 1 A 74 74 GLN CB C 74 30.900 29.200 1.700 1 1 662 . 2 1 1 A 74 74 GLN N N 74 114.600 116.624 -2.024 1 1 664 . 2 1 1 A 75 75 GLY H H 75 7.830 8.258 -0.428 1 1 665 . 2 1 1 A 75 75 GLY HA2 H 75 3.950 3.892 0.058 1 1 666 . 2 1 1 A 75 75 GLY HA3 H 75 3.870 3.896 -0.026 1 1 667 . 2 1 1 A 75 75 GLY CA C 75 46.500 45.931 0.569 1 1 668 . 2 1 1 A 75 75 GLY N N 75 109.300 108.596 0.704 1 1 669 . 2 1 1 A 76 76 LEU H H 76 8.110 8.409 -0.299 1 1 670 . 2 1 1 A 76 76 LEU HA H 76 4.650 4.885 -0.235 1 1 680 . 2 1 1 A 76 76 LEU CA C 76 52.500 53.101 -0.601 1 1 681 . 2 1 1 A 76 76 LEU CB C 76 45.700 45.094 0.606 1 1 685 . 2 1 1 A 76 76 LEU N N 76 119.300 121.298 -1.998 1 1 686 . 2 1 1 A 77 77 ASP H H 77 8.990 9.432 -0.442 1 1 687 . 2 1 1 A 77 77 ASP HA H 77 5.120 5.047 0.073 1 1 690 . 2 1 1 A 77 77 ASP CA C 77 52.600 52.678 -0.078 1 1 691 . 2 1 1 A 77 77 ASP CB C 77 44.600 44.136 0.464 1 1 692 . 2 1 1 A 77 77 ASP N N 77 117.600 117.780 -0.180 1 1 693 . 2 1 1 A 78 78 VAL H H 78 9.070 8.915 0.155 1 1 694 . 2 1 1 A 78 78 VAL HA H 78 4.090 4.311 -0.221 1 1 702 . 2 1 1 A 78 78 VAL CA C 78 63.900 62.926 0.974 1 1 703 . 2 1 1 A 78 78 VAL CB C 78 30.900 31.287 -0.387 1 1 706 . 2 1 1 A 78 78 VAL N N 78 121.900 120.663 1.237 1 1 707 . 2 1 1 A 79 79 VAL H H 79 8.360 8.935 -0.575 1 1 708 . 2 1 1 A 79 79 VAL HA H 79 4.300 4.238 0.062 1 1 716 . 2 1 1 A 79 79 VAL CA C 79 59.500 61.794 -2.294 1 1 717 . 2 1 1 A 79 79 VAL CB C 79 32.600 32.496 0.104 1 1 720 . 2 1 1 A 79 79 VAL N N 79 116.700 121.490 -4.790 1 1 721 . 2 1 1 A 80 80 GLY H H 80 6.970 7.578 -0.608 1 1 722 . 2 1 1 A 80 80 GLY HA2 H 80 4.380 4.119 0.261 1 1 723 . 2 1 1 A 80 80 GLY HA3 H 80 3.550 4.230 -0.680 1 1 724 . 2 1 1 A 80 80 GLY CA C 80 46.900 46.006 0.894 1 1 725 . 2 1 1 A 80 80 GLY N N 80 106.200 108.733 -2.533 1 1 726 . 2 1 1 A 81 81 VAL H H 81 8.510 8.332 0.178 1 1 727 . 2 1 1 A 81 81 VAL HA H 81 4.900 4.990 -0.090 1 1 735 . 2 1 1 A 81 81 VAL CA C 81 59.400 60.298 -0.898 1 1 736 . 2 1 1 A 81 81 VAL CB C 81 37.600 35.739 1.861 1 1 739 . 2 1 1 A 81 81 VAL N N 81 116.200 118.967 -2.767 1 1 740 . 2 1 1 A 82 82 TYR H H 82 8.370 8.792 -0.422 1 1 741 . 2 1 1 A 82 82 TYR HA H 82 6.000 6.169 -0.169 1 1 748 . 2 1 1 A 82 82 TYR CA C 82 54.900 55.374 -0.474 1 1 749 . 2 1 1 A 82 82 TYR CB C 82 42.800 42.153 0.647 1 1 752 . 2 1 1 A 82 82 TYR N N 82 118.100 121.388 -3.288 1 1 753 . 2 1 1 A 83 83 HIS H H 83 8.520 9.649 -1.129 1 1 754 . 2 1 1 A 83 83 HIS HA H 83 5.150 5.324 -0.174 1 1 759 . 2 1 1 A 83 83 HIS CA C 83 54.900 54.221 0.679 1 1 760 . 2 1 1 A 83 83 HIS CB C 83 33.200 32.562 0.638 1 1 763 . 2 1 1 A 83 83 HIS N N 83 115.400 120.221 -4.821 1 1 764 . 2 1 1 A 84 84 SER H H 84 9.060 8.869 0.191 1 1 765 . 2 1 1 A 84 84 SER HA H 84 5.590 5.273 0.317 1 1 768 . 2 1 1 A 84 84 SER CA C 84 55.800 57.973 -2.173 1 1 769 . 2 1 1 A 84 84 SER CB C 84 65.500 64.593 0.907 1 1 770 . 2 1 1 A 84 84 SER N N 84 117.100 118.118 -1.018 1 1 771 . 2 1 1 A 85 85 HIS H H 85 8.980 8.821 0.159 1 1 772 . 2 1 1 A 85 85 HIS HA H 85 4.830 5.250 -0.420 1 1 777 . 2 1 1 A 85 85 HIS CA C 85 50.400 53.092 -2.692 1 1 778 . 2 1 1 A 85 85 HIS CB C 85 32.000 30.155 1.845 1 1 781 . 2 1 1 A 85 85 HIS N N 85 117.600 123.919 -6.319 1 1 782 . 2 1 1 A 86 86 PRO HA H 86 5.080 5.138 -0.058 1 1 789 . 2 1 1 A 86 86 PRO CA C 86 62.400 62.516 -0.116 1 1 790 . 2 1 1 A 86 86 PRO CB C 86 32.400 29.205 3.195 1 1 793 . 2 1 1 A 87 87 ASP H H 87 10.300 8.348 1.952 1 1 794 . 2 1 1 A 87 87 ASP HA H 87 4.320 4.909 -0.589 1 1 797 . 2 1 1 A 87 87 ASP CA C 87 56.600 55.694 0.906 1 1 798 . 2 1 1 A 87 87 ASP CB C 87 39.600 42.481 -2.881 1 1 799 . 2 1 1 A 87 87 ASP N N 87 123.100 122.660 0.440 1 1 800 . 2 1 1 A 88 88 HIS H H 88 7.500 8.260 -0.760 1 1 801 . 2 1 1 A 88 88 HIS HA H 88 5.050 4.975 0.075 1 1 806 . 2 1 1 A 88 88 HIS CA C 88 54.700 53.921 0.779 1 1 807 . 2 1 1 A 88 88 HIS CB C 88 32.400 31.211 1.189 1 1 810 . 2 1 1 A 88 88 HIS N N 88 115.000 115.347 -0.347 1 1 811 . 2 1 1 A 89 89 PRO HA H 89 4.370 4.616 -0.246 1 1 818 . 2 1 1 A 89 89 PRO CA C 89 62.700 63.113 -0.413 1 1 819 . 2 1 1 A 89 89 PRO CB C 89 31.600 30.916 0.684 1 1 822 . 2 1 1 A 90 90 ALA H H 90 8.020 8.315 -0.295 1 1 823 . 2 1 1 A 90 90 ALA HA H 90 4.290 3.923 0.367 1 1 827 . 2 1 1 A 90 90 ALA CA C 90 50.800 53.621 -2.821 1 1 828 . 2 1 1 A 90 90 ALA CB C 90 16.600 17.902 -1.302 1 1 829 . 2 1 1 A 90 90 ALA N N 90 125.800 120.279 5.521 1 1 830 . 2 1 1 A 91 91 ARG H H 91 7.990 7.667 0.323 1 1 831 . 2 1 1 A 91 91 ARG HA H 91 4.300 4.562 -0.262 1 1 838 . 2 1 1 A 91 91 ARG CA C 91 53.100 52.653 0.447 1 1 839 . 2 1 1 A 91 91 ARG CB C 91 31.800 31.542 0.258 1 1 842 . 2 1 1 A 91 91 ARG N N 91 121.900 116.644 5.256 1 1 843 . 2 1 1 A 92 92 PRO HA H 92 4.070 3.996 0.074 1 1 850 . 2 1 1 A 92 92 PRO CA C 92 62.300 61.897 0.403 1 1 851 . 2 1 1 A 92 92 PRO CB C 92 32.500 32.411 0.089 1 1 854 . 2 1 1 A 93 93 SER H H 93 9.960 8.240 1.720 1 1 855 . 2 1 1 A 93 93 SER HA H 93 4.630 4.889 -0.259 1 1 858 . 2 1 1 A 93 93 SER CA C 93 56.300 57.096 -0.796 1 1 859 . 2 1 1 A 93 93 SER CB C 93 66.500 67.016 -0.516 1 1 860 . 2 1 1 A 93 93 SER N N 93 121.800 114.226 7.574 1 1 861 . 2 1 1 A 94 94 ALA H H 94 8.880 8.773 0.107 1 1 862 . 2 1 1 A 94 94 ALA HA H 94 4.130 4.050 0.080 1 1 866 . 2 1 1 A 94 94 ALA CA C 94 55.400 55.673 -0.273 1 1 867 . 2 1 1 A 94 94 ALA CB C 94 18.000 18.250 -0.250 1 1 868 . 2 1 1 A 94 94 ALA N N 94 123.100 124.205 -1.105 1 1 869 . 2 1 1 A 95 95 THR H H 95 7.870 8.046 -0.176 1 1 870 . 2 1 1 A 95 95 THR HA H 95 3.920 3.931 -0.011 1 1 875 . 2 1 1 A 95 95 THR CA C 95 65.700 66.788 -1.088 1 1 876 . 2 1 1 A 95 95 THR CB C 95 68.400 68.198 0.202 1 1 878 . 2 1 1 A 95 95 THR N N 95 114.300 114.747 -0.447 1 1 879 . 2 1 1 A 96 96 ASP H H 96 7.420 8.272 -0.852 1 1 880 . 2 1 1 A 96 96 ASP HA H 96 4.230 4.143 0.087 1 1 883 . 2 1 1 A 96 96 ASP CA C 96 57.400 57.583 -0.183 1 1 884 . 2 1 1 A 96 96 ASP CB C 96 40.100 40.786 -0.686 1 1 885 . 2 1 1 A 96 96 ASP N N 96 121.000 121.037 -0.037 1 1 886 . 2 1 1 A 97 97 LEU H H 97 7.490 8.051 -0.561 1 1 887 . 2 1 1 A 97 97 LEU HA H 97 4.000 4.187 -0.187 1 1 897 . 2 1 1 A 97 97 LEU CA C 97 57.600 57.791 -0.191 1 1 898 . 2 1 1 A 97 97 LEU CB C 97 41.400 41.986 -0.586 1 1 902 . 2 1 1 A 97 97 LEU N N 97 118.900 120.684 -1.784 1 1 903 . 2 1 1 A 98 98 GLU H H 98 7.690 8.424 -0.734 1 1 904 . 2 1 1 A 98 98 GLU HA H 98 3.900 4.023 -0.123 1 1 909 . 2 1 1 A 98 98 GLU CA C 98 58.700 59.687 -0.987 1 1 910 . 2 1 1 A 98 98 GLU CB C 98 29.600 29.060 0.540 1 1 912 . 2 1 1 A 98 98 GLU N N 98 119.100 118.738 0.362 1 1 913 . 2 1 1 A 99 99 GLU H H 99 7.500 7.573 -0.073 1 1 914 . 2 1 1 A 99 99 GLU HA H 99 4.200 4.340 -0.140 1 1 919 . 2 1 1 A 99 99 GLU CA C 99 56.100 56.770 -0.670 1 1 920 . 2 1 1 A 99 99 GLU CB C 99 30.000 30.294 -0.294 1 1 922 . 2 1 1 A 99 99 GLU N N 99 114.300 117.115 -2.815 1 1 923 . 2 1 1 A 100 100 ALA H H 100 7.400 7.618 -0.218 1 1 924 . 2 1 1 A 100 100 ALA HA H 100 4.620 4.531 0.089 1 1 928 . 2 1 1 A 100 100 ALA CA C 100 52.000 51.469 0.531 1 1 929 . 2 1 1 A 100 100 ALA CB C 100 18.100 16.804 1.296 1 1 930 . 2 1 1 A 100 100 ALA N N 100 125.900 122.675 3.225 1 1 931 . 2 1 1 A 101 101 THR H H 101 7.790 7.843 -0.053 1 1 932 . 2 1 1 A 101 101 THR HA H 101 4.050 4.501 -0.451 1 1 937 . 2 1 1 A 101 101 THR CA C 101 61.200 61.427 -0.227 1 1 938 . 2 1 1 A 101 101 THR CB C 101 68.900 68.538 0.362 1 1 940 . 2 1 1 A 101 101 THR N N 101 111.700 115.235 -3.535 1 1 941 . 2 1 1 A 102 102 PHE H H 102 7.320 7.554 -0.234 1 1 942 . 2 1 1 A 102 102 PHE HA H 102 4.750 4.988 -0.238 1 1 950 . 2 1 1 A 102 102 PHE CA C 102 54.300 54.910 -0.610 1 1 951 . 2 1 1 A 102 102 PHE CB C 102 38.200 39.038 -0.838 1 1 955 . 2 1 1 A 102 102 PHE N N 102 120.200 120.628 -0.428 1 1 956 . 2 1 1 A 103 103 PRO HA H 103 4.480 4.514 -0.034 1 1 963 . 2 1 1 A 103 103 PRO CA C 103 64.100 63.919 0.181 1 1 964 . 2 1 1 A 103 103 PRO CB C 103 32.000 31.655 0.345 1 1 967 . 2 1 1 A 104 104 GLY H H 104 8.920 9.028 -0.108 1 1 968 . 2 1 1 A 104 104 GLY HA2 H 104 4.270 3.964 0.306 1 1 969 . 2 1 1 A 104 104 GLY HA3 H 104 4.160 3.978 0.182 1 1 970 . 2 1 1 A 104 104 GLY CA C 104 45.600 45.257 0.343 1 1 971 . 2 1 1 A 104 104 GLY N N 104 109.600 112.378 -2.778 1 1 972 . 2 1 1 A 105 105 PHE H H 105 7.250 8.097 -0.847 1 1 973 . 2 1 1 A 105 105 PHE HA H 105 4.930 4.612 0.318 1 1 981 . 2 1 1 A 105 105 PHE CA C 105 54.900 58.315 -3.415 1 1 982 . 2 1 1 A 105 105 PHE CB C 105 39.400 39.720 -0.320 1 1 986 . 2 1 1 A 105 105 PHE N N 105 120.100 120.010 0.090 1 1 987 . 2 1 1 A 106 106 THR H H 106 8.110 8.584 -0.474 1 1 988 . 2 1 1 A 106 106 THR HA H 106 4.840 4.783 0.057 1 1 993 . 2 1 1 A 106 106 THR CA C 106 64.400 62.127 2.273 1 1 994 . 2 1 1 A 106 106 THR CB C 106 70.500 69.803 0.697 1 1 996 . 2 1 1 A 106 106 THR N N 106 118.600 118.079 0.521 1 1 997 . 2 1 1 A 107 107 TYR H H 107 9.660 9.328 0.332 1 1 998 . 2 1 1 A 107 107 TYR HA H 107 5.150 6.008 -0.858 1 1 1005 . 2 1 1 A 107 107 TYR CA C 107 56.900 57.533 -0.633 1 1 1006 . 2 1 1 A 107 107 TYR CB C 107 38.900 40.200 -1.300 1 1 1009 . 2 1 1 A 107 107 TYR N N 107 126.600 127.122 -0.522 1 1 1010 . 2 1 1 A 108 108 VAL H H 108 9.270 9.559 -0.289 1 1 1011 . 2 1 1 A 108 108 VAL HA H 108 5.220 4.885 0.335 1 1 1019 . 2 1 1 A 108 108 VAL CA C 108 60.800 61.917 -1.117 1 1 1020 . 2 1 1 A 108 108 VAL CB C 108 33.500 33.268 0.232 1 1 1023 . 2 1 1 A 108 108 VAL N N 108 124.400 123.602 0.798 1 1 1024 . 2 1 1 A 109 109 ILE H H 109 9.300 9.949 -0.649 1 1 1025 . 2 1 1 A 109 109 ILE HA H 109 5.150 5.142 0.008 1 1 1035 . 2 1 1 A 109 109 ILE CA C 109 58.000 59.900 -1.900 1 1 1036 . 2 1 1 A 109 109 ILE CB C 109 39.600 39.734 -0.134 1 1 1040 . 2 1 1 A 109 109 ILE N N 109 128.500 128.699 -0.199 1 1 1041 . 2 1 1 A 110 110 VAL H H 110 7.910 9.106 -1.196 1 1 1042 . 2 1 1 A 110 110 VAL HA H 110 5.650 4.819 0.831 1 1 1050 . 2 1 1 A 110 110 VAL CA C 110 56.800 60.026 -3.226 1 1 1051 . 2 1 1 A 110 110 VAL CB C 110 35.400 34.172 1.228 1 1 1054 . 2 1 1 A 110 110 VAL N N 110 122.600 129.655 -7.055 1 1 1055 . 2 1 1 A 111 111 SER H H 111 9.390 9.085 0.305 1 1 1056 . 2 1 1 A 111 111 SER HA H 111 4.850 4.851 -0.001 1 1 1059 . 2 1 1 A 111 111 SER CA C 111 57.700 57.026 0.674 1 1 1060 . 2 1 1 A 111 111 SER CB C 111 64.500 63.565 0.935 1 1 1061 . 2 1 1 A 111 111 SER N N 111 124.700 124.568 0.132 1 1 1062 . 2 1 1 A 112 112 VAL H H 112 7.850 9.245 -1.395 1 1 1063 . 2 1 1 A 112 112 VAL HA H 112 4.530 4.843 -0.313 1 1 1071 . 2 1 1 A 112 112 VAL CA C 112 61.000 61.420 -0.420 1 1 1072 . 2 1 1 A 112 112 VAL CB C 112 33.800 33.869 -0.069 1 1 1075 . 2 1 1 A 112 112 VAL N N 112 126.100 128.173 -2.073 1 1 1076 . 2 1 1 A 113 113 ARG H H 113 8.620 9.464 -0.844 1 1 1077 . 2 1 1 A 113 113 ARG HA H 113 5.020 4.813 0.207 1 1 1084 . 2 1 1 A 113 113 ARG CA C 113 54.100 54.454 -0.354 1 1 1085 . 2 1 1 A 113 113 ARG CB C 113 31.500 30.793 0.707 1 1 1088 . 2 1 1 A 113 113 ARG N N 113 128.800 127.210 1.590 1 1 1089 . 2 1 1 A 114 114 ASP H H 114 9.650 9.420 0.230 1 1 1090 . 2 1 1 A 114 114 ASP HA H 114 4.370 3.971 0.399 1 1 1093 . 2 1 1 A 114 114 ASP CA C 114 55.100 54.903 0.197 1 1 1094 . 2 1 1 A 114 114 ASP CB C 114 39.800 39.787 0.013 1 1 1095 . 2 1 1 A 114 114 ASP N N 114 128.100 124.340 3.760 1 1 1096 . 2 1 1 A 115 115 GLY H H 115 8.350 8.420 -0.070 1 1 1097 . 2 1 1 A 115 115 GLY HA2 H 115 3.980 3.741 0.239 1 1 1098 . 2 1 1 A 115 115 GLY HA3 H 115 2.460 3.799 -1.339 1 1 1099 . 2 1 1 A 115 115 GLY CA C 115 45.500 45.174 0.326 1 1 1100 . 2 1 1 A 115 115 GLY N N 115 109.900 105.510 4.390 1 1 1101 . 2 1 1 A 116 116 ALA H H 116 7.610 7.645 -0.035 1 1 1102 . 2 1 1 A 116 116 ALA HA H 116 4.920 4.508 0.412 1 1 1106 . 2 1 1 A 116 116 ALA CA C 116 48.200 48.997 -0.797 1 1 1107 . 2 1 1 A 116 116 ALA CB C 116 19.600 20.033 -0.433 1 1 1108 . 2 1 1 A 116 116 ALA N N 116 123.900 123.999 -0.099 1 1 1109 . 2 1 1 A 117 117 PRO HA H 117 4.670 4.832 -0.162 1 1 1116 . 2 1 1 A 117 117 PRO CA C 117 62.900 62.631 0.269 1 1 1117 . 2 1 1 A 117 117 PRO CB C 117 31.500 31.635 -0.135 1 1 1120 . 2 1 1 A 118 118 GLU H H 118 8.900 9.430 -0.530 1 1 1121 . 2 1 1 A 118 118 GLU HA H 118 4.540 4.241 0.299 1 1 1126 . 2 1 1 A 118 118 GLU CA C 118 56.200 59.267 -3.067 1 1 1127 . 2 1 1 A 118 118 GLU CB C 118 30.500 30.180 0.320 1 1 1129 . 2 1 1 A 118 118 GLU N N 118 127.400 124.133 3.267 1 1 1130 . 2 1 1 A 119 119 ALA H H 119 8.060 7.689 0.371 1 1 1131 . 2 1 1 A 119 119 ALA HA H 119 4.460 4.715 -0.255 1 1 1135 . 2 1 1 A 119 119 ALA CA C 119 52.600 51.518 1.082 1 1 1136 . 2 1 1 A 119 119 ALA CB C 119 21.000 23.328 -2.328 1 1 1137 . 2 1 1 A 119 119 ALA N N 119 123.500 119.351 4.149 1 1 1138 . 2 1 1 A 120 120 LEU H H 120 8.170 8.625 -0.455 1 1 1139 . 2 1 1 A 120 120 LEU HA H 120 5.400 5.241 0.159 1 1 1149 . 2 1 1 A 120 120 LEU CA C 120 55.000 53.495 1.505 1 1 1150 . 2 1 1 A 120 120 LEU CB C 120 45.300 43.699 1.601 1 1 1154 . 2 1 1 A 120 120 LEU N N 120 123.500 120.374 3.126 1 1 1155 . 2 1 1 A 121 121 THR H H 121 9.450 9.182 0.268 1 1 1156 . 2 1 1 A 121 121 THR HA H 121 4.520 5.134 -0.614 1 1 1161 . 2 1 1 A 121 121 THR CA C 121 58.700 59.840 -1.140 1 1 1162 . 2 1 1 A 121 121 THR CB C 121 72.100 71.610 0.490 1 1 1164 . 2 1 1 A 121 121 THR N N 121 117.400 115.250 2.150 1 1 1165 . 2 1 1 A 122 122 ALA H H 122 8.620 8.710 -0.090 1 1 1166 . 2 1 1 A 122 122 ALA HA H 122 5.370 5.600 -0.230 1 1 1170 . 2 1 1 A 122 122 ALA CA C 122 50.400 49.917 0.483 1 1 1171 . 2 1 1 A 122 122 ALA CB C 122 21.900 22.907 -1.007 1 1 1172 . 2 1 1 A 122 122 ALA N N 122 123.400 124.798 -1.398 1 1 1173 . 2 1 1 A 123 123 TRP H H 123 8.740 9.799 -1.059 1 1 1174 . 2 1 1 A 123 123 TRP HA H 123 5.090 5.545 -0.455 1 1 1183 . 2 1 1 A 123 123 TRP CA C 123 56.700 56.503 0.197 1 1 1184 . 2 1 1 A 123 123 TRP CB C 123 33.300 33.578 -0.278 1 1 1190 . 2 1 1 A 123 123 TRP N N 123 118.700 120.539 -1.839 1 1 1192 . 2 1 1 A 124 124 ALA H H 124 9.570 9.598 -0.028 1 1 1193 . 2 1 1 A 124 124 ALA HA H 124 5.360 5.525 -0.165 1 1 1197 . 2 1 1 A 124 124 ALA CA C 124 50.300 50.317 -0.017 1 1 1198 . 2 1 1 A 124 124 ALA CB C 124 22.600 21.417 1.183 1 1 1199 . 2 1 1 A 124 124 ALA N N 124 123.200 125.720 -2.520 1 1 1200 . 2 1 1 A 125 125 LEU H H 125 9.830 8.925 0.905 1 1 1201 . 2 1 1 A 125 125 LEU HA H 125 4.190 4.510 -0.320 1 1 1211 . 2 1 1 A 125 125 LEU CA C 125 54.700 54.827 -0.127 1 1 1212 . 2 1 1 A 125 125 LEU CB C 125 44.000 43.381 0.619 1 1 1216 . 2 1 1 A 125 125 LEU N N 125 125.000 125.177 -0.177 1 1 1217 . 2 1 1 A 126 126 ALA H H 126 8.310 8.670 -0.360 1 1 1218 . 2 1 1 A 126 126 ALA HA H 126 4.460 4.457 0.003 1 1 1222 . 2 1 1 A 126 126 ALA CA C 126 51.100 50.732 0.368 1 1 1223 . 2 1 1 A 126 126 ALA CB C 126 18.300 18.216 0.084 1 1 1224 . 2 1 1 A 126 126 ALA N N 126 127.000 129.218 -2.218 1 1 1225 . 2 1 1 A 127 127 PRO HA H 127 4.340 4.344 -0.004 1 1 1232 . 2 1 1 A 127 127 PRO CA C 127 65.400 65.299 0.101 1 1 1233 . 2 1 1 A 127 127 PRO CB C 127 31.800 31.831 -0.031 1 1 1236 . 2 1 1 A 128 128 ASP H H 128 7.680 7.830 -0.150 1 1 1237 . 2 1 1 A 128 128 ASP HA H 128 4.550 4.704 -0.154 1 1 1240 . 2 1 1 A 128 128 ASP CA C 128 52.900 53.993 -1.093 1 1 1241 . 2 1 1 A 128 128 ASP CB C 128 39.600 40.951 -1.351 1 1 1242 . 2 1 1 A 128 128 ASP N N 128 113.100 117.058 -3.958 1 1 1243 . 2 1 1 A 129 129 ARG H H 129 8.500 8.265 0.235 1 1 1244 . 2 1 1 A 129 129 ARG HA H 129 3.500 3.884 -0.384 1 1 1251 . 2 1 1 A 129 129 ARG CA C 129 57.600 57.145 0.455 1 1 1252 . 2 1 1 A 129 129 ARG CB C 129 26.900 26.674 0.226 1 1 1255 . 2 1 1 A 129 129 ARG N N 129 113.100 116.203 -3.103 1 1 1256 . 2 1 1 A 130 130 SER H H 130 8.050 7.928 0.122 1 1 1257 . 2 1 1 A 130 130 SER HA H 130 4.020 4.387 -0.367 1 1 1260 . 2 1 1 A 130 130 SER CA C 130 60.100 60.658 -0.558 1 1 1261 . 2 1 1 A 130 130 SER CB C 130 63.600 63.986 -0.386 1 1 1262 . 2 1 1 A 130 130 SER N N 130 111.100 113.356 -2.256 1 1 1263 . 2 1 1 A 131 131 GLU H H 131 7.060 7.672 -0.612 1 1 1264 . 2 1 1 A 131 131 GLU HA H 131 4.420 4.432 -0.012 1 1 1269 . 2 1 1 A 131 131 GLU CA C 131 54.400 55.076 -0.676 1 1 1270 . 2 1 1 A 131 131 GLU CB C 131 31.800 31.051 0.749 1 1 1272 . 2 1 1 A 131 131 GLU N N 131 114.400 115.366 -0.966 1 1 1273 . 2 1 1 A 132 132 PHE H H 132 8.740 8.638 0.102 1 1 1274 . 2 1 1 A 132 132 PHE HA H 132 5.390 5.584 -0.194 1 1 1282 . 2 1 1 A 132 132 PHE CA C 132 57.200 56.450 0.750 1 1 1283 . 2 1 1 A 132 132 PHE CB C 132 42.900 41.862 1.038 1 1 1287 . 2 1 1 A 132 132 PHE N N 132 117.300 117.426 -0.126 1 1 1288 . 2 1 1 A 133 133 HIS H H 133 9.870 9.643 0.227 1 1 1289 . 2 1 1 A 133 133 HIS HA H 133 5.380 5.285 0.095 1 1 1294 . 2 1 1 A 133 133 HIS CA C 133 53.300 54.622 -1.322 1 1 1295 . 2 1 1 A 133 133 HIS CB C 133 32.700 33.075 -0.375 1 1 1298 . 2 1 1 A 133 133 HIS N N 133 117.900 119.307 -1.407 1 1 1299 . 2 1 1 A 134 134 ARG H H 134 9.080 8.635 0.445 1 1 1300 . 2 1 1 A 134 134 ARG HA H 134 3.500 3.965 -0.465 1 1 1307 . 2 1 1 A 134 134 ARG CA C 134 57.100 56.468 0.632 1 1 1308 . 2 1 1 A 134 134 ARG CB C 134 30.100 30.843 -0.743 1 1 1311 . 2 1 1 A 134 134 ARG N N 134 125.600 123.801 1.799 1 1 1312 . 2 1 1 A 135 135 GLU H H 135 8.410 8.536 -0.126 1 1 1313 . 2 1 1 A 135 135 GLU HA H 135 4.550 4.940 -0.390 1 1 1318 . 2 1 1 A 135 135 GLU CA C 135 54.000 54.380 -0.380 1 1 1319 . 2 1 1 A 135 135 GLU CB C 135 33.000 33.359 -0.359 1 1 1321 . 2 1 1 A 135 135 GLU N N 135 128.500 126.681 1.819 1 1 1322 . 2 1 1 A 136 136 ASP H H 136 8.480 8.895 -0.415 1 1 1323 . 2 1 1 A 136 136 ASP HA H 136 4.460 5.217 -0.757 1 1 1326 . 2 1 1 A 136 136 ASP CA C 136 54.700 52.839 1.861 1 1 1327 . 2 1 1 A 136 136 ASP CB C 136 41.500 44.039 -2.539 1 1 1328 . 2 1 1 A 136 136 ASP N N 136 124.300 125.837 -1.537 1 1 1329 . 2 1 1 A 137 137 ILE H H 137 8.340 8.643 -0.303 1 1 1330 . 2 1 1 A 137 137 ILE HA H 137 4.570 4.322 0.248 1 1 1340 . 2 1 1 A 137 137 ILE CA C 137 61.400 60.605 0.795 1 1 1341 . 2 1 1 A 137 137 ILE CB C 137 38.600 37.213 1.387 1 1 1345 . 2 1 1 A 137 137 ILE N N 137 121.100 126.403 -5.303 1 1 1346 . 2 1 1 A 138 138 VAL H H 138 8.730 9.007 -0.277 1 1 1347 . 2 1 1 A 138 138 VAL HA H 138 4.570 4.664 -0.094 1 1 1355 . 2 1 1 A 138 138 VAL CA C 138 59.800 60.869 -1.069 1 1 1356 . 2 1 1 A 138 138 VAL CB C 138 34.700 34.618 0.082 1 1 1359 . 2 1 1 A 138 138 VAL N N 138 125.100 128.907 -3.807 1 1 1360 . 2 1 1 A 139 139 ARG H H 139 8.390 8.326 0.064 1 1 1361 . 2 1 1 A 139 139 ARG HA H 139 5.210 5.077 0.133 1 1 1368 . 2 1 1 A 139 139 ARG CA C 139 53.500 53.796 -0.296 1 1 1369 . 2 1 1 A 139 139 ARG CB C 139 30.100 29.661 0.439 1 1 1372 . 2 1 1 A 139 139 ARG N N 139 122.800 125.300 -2.500 1 1 1373 . 2 1 1 A 140 140 PRO HA H 140 4.380 4.452 -0.072 1 1 1380 . 2 1 1 A 140 140 PRO CA C 140 62.400 63.098 -0.698 1 1 1381 . 2 1 1 A 140 140 PRO CB C 140 32.000 31.934 0.066 1 1 1384 . 2 1 1 A 141 141 ASP H H 141 8.520 8.358 0.162 1 1 1385 . 2 1 1 A 141 141 ASP HA H 141 4.780 4.621 0.159 1 1 1388 . 2 1 1 A 141 141 ASP CA C 141 54.500 53.062 1.438 1 1 1389 . 2 1 1 A 141 141 ASP CB C 141 40.600 40.406 0.194 1 1 1390 . 2 1 1 A 141 141 ASP N N 141 122.200 122.262 -0.062 1 1 1391 . 2 1 1 A 142 142 PRO HA H 142 4.380 4.459 -0.079 1 1 1398 . 2 1 1 A 142 142 PRO CA C 142 63.500 63.788 -0.288 1 1 1399 . 2 1 1 A 142 142 PRO CB C 142 32.000 31.704 0.296 1 1 1402 . 2 1 1 A 143 143 GLU H H 143 8.460 8.054 0.406 1 1 1403 . 2 1 1 A 143 143 GLU HA H 143 4.260 4.402 -0.142 1 1 1408 . 2 1 1 A 143 143 GLU CA C 143 56.000 57.490 -1.490 1 1 1409 . 2 1 1 A 143 143 GLU CB C 143 30.000 31.236 -1.236 1 1 1411 . 2 1 1 A 143 143 GLU N N 143 119.500 118.930 0.570 1 1 1412 . 2 1 1 A 144 144 ALA H H 144 8.030 7.904 0.126 1 1 1413 . 2 1 1 A 144 144 ALA HA H 144 4.590 3.963 0.627 1 1 1417 . 2 1 1 A 144 144 ALA CA C 144 50.300 52.687 -2.387 1 1 1418 . 2 1 1 A 144 144 ALA CB C 144 18.300 17.491 0.809 1 1 1419 . 2 1 1 A 144 144 ALA N N 144 125.800 120.962 4.838 1 1 1420 . 2 1 1 A 145 145 PRO HA H 145 4.400 4.567 -0.167 1 1 1427 . 2 1 1 A 145 145 PRO CA C 145 62.900 62.782 0.118 1 1 1428 . 2 1 1 A 145 145 PRO CB C 145 32.000 31.905 0.095 1 1 1431 . 2 1 1 A 146 146 LEU H H 146 8.330 8.319 0.011 1 1 1432 . 2 1 1 A 146 146 LEU HA H 146 4.230 4.462 -0.232 1 1 1442 . 2 1 1 A 146 146 LEU CA C 146 55.100 54.406 0.694 1 1 1443 . 2 1 1 A 146 146 LEU CB C 146 42.200 42.123 0.077 1 1 1447 . 2 1 1 A 146 146 LEU N N 146 122.100 123.813 -1.713 1 1 1448 . 2 1 1 A 147 147 GLU H H 147 8.300 8.590 -0.290 1 1 1449 . 2 1 1 A 147 147 GLU HA H 147 4.220 4.470 -0.250 1 1 1454 . 2 1 1 A 147 147 GLU CA C 147 56.200 56.308 -0.108 1 1 1455 . 2 1 1 A 147 147 GLU CB C 147 30.300 30.592 -0.292 1 1 13 . 3 1 1 A 2 2 LYS H H 2 9.020 9.228 -0.208 1 1 14 . 3 1 1 A 2 2 LYS HA H 2 5.640 5.173 0.467 1 1 23 . 3 1 1 A 2 2 LYS CA C 2 53.700 54.955 -1.255 1 1 24 . 3 1 1 A 2 2 LYS CB C 2 34.900 35.060 -0.160 1 1 28 . 3 1 1 A 2 2 LYS N N 2 125.700 126.930 -1.230 1 1 29 . 3 1 1 A 3 3 THR H H 3 8.850 8.383 0.467 1 1 30 . 3 1 1 A 3 3 THR HA H 3 4.660 4.770 -0.110 1 1 36 . 3 1 1 A 3 3 THR CA C 3 61.600 60.330 1.270 1 1 37 . 3 1 1 A 3 3 THR CB C 3 68.200 70.225 -2.025 1 1 39 . 3 1 1 A 3 3 THR N N 3 117.000 116.414 0.586 1 1 40 . 3 1 1 A 4 4 THR H H 4 8.100 8.256 -0.156 1 1 41 . 3 1 1 A 4 4 THR HA H 4 4.790 4.932 -0.142 1 1 46 . 3 1 1 A 4 4 THR CA C 4 58.500 58.595 -0.095 1 1 47 . 3 1 1 A 4 4 THR CB C 4 68.400 69.902 -1.502 1 1 49 . 3 1 1 A 4 4 THR N N 4 110.200 115.564 -5.364 1 1 50 . 3 1 1 A 5 5 PRO HA H 5 4.110 4.172 -0.062 1 1 57 . 3 1 1 A 5 5 PRO CA C 5 65.300 65.656 -0.356 1 1 58 . 3 1 1 A 5 5 PRO CB C 5 31.800 31.614 0.186 1 1 61 . 3 1 1 A 6 6 ASP H H 6 8.530 8.917 -0.387 1 1 62 . 3 1 1 A 6 6 ASP HA H 6 4.350 4.350 0.000 1 1 65 . 3 1 1 A 6 6 ASP CA C 6 56.300 56.687 -0.387 1 1 66 . 3 1 1 A 6 6 ASP CB C 6 39.500 39.836 -0.336 1 1 67 . 3 1 1 A 6 6 ASP N N 6 114.600 116.162 -1.562 1 1 68 . 3 1 1 A 7 7 ILE H H 7 7.270 7.435 -0.165 1 1 69 . 3 1 1 A 7 7 ILE HA H 7 3.620 3.660 -0.040 1 1 79 . 3 1 1 A 7 7 ILE CA C 7 61.900 64.900 -3.000 1 1 80 . 3 1 1 A 7 7 ILE CB C 7 34.900 37.944 -3.044 1 1 84 . 3 1 1 A 7 7 ILE N N 7 121.700 121.198 0.502 1 1 85 . 3 1 1 A 8 8 LEU H H 8 6.960 7.924 -0.964 1 1 86 . 3 1 1 A 8 8 LEU HA H 8 3.710 3.819 -0.109 1 1 96 . 3 1 1 A 8 8 LEU CA C 8 57.800 58.117 -0.317 1 1 97 . 3 1 1 A 8 8 LEU CB C 8 39.900 41.358 -1.458 1 1 101 . 3 1 1 A 8 8 LEU N N 8 117.200 119.954 -2.754 1 1 102 . 3 1 1 A 9 9 ASP H H 9 8.220 8.425 -0.205 1 1 103 . 3 1 1 A 9 9 ASP HA H 9 4.330 4.277 0.053 1 1 106 . 3 1 1 A 9 9 ASP CA C 9 57.600 57.710 -0.110 1 1 107 . 3 1 1 A 9 9 ASP CB C 9 40.100 41.031 -0.931 1 1 108 . 3 1 1 A 9 9 ASP N N 9 117.600 119.101 -1.501 1 1 109 . 3 1 1 A 10 10 GLN H H 10 7.630 7.626 0.004 1 1 110 . 3 1 1 A 10 10 GLN HA H 10 3.850 4.025 -0.175 1 1 117 . 3 1 1 A 10 10 GLN CA C 10 59.200 58.753 0.447 1 1 118 . 3 1 1 A 10 10 GLN CB C 10 29.300 28.303 0.997 1 1 120 . 3 1 1 A 10 10 GLN N N 10 118.700 118.206 0.494 1 1 122 . 3 1 1 A 11 11 ILE H H 11 7.590 7.932 -0.342 1 1 123 . 3 1 1 A 11 11 ILE HA H 11 2.960 3.582 -0.622 1 1 133 . 3 1 1 A 11 11 ILE CA C 11 65.800 64.716 1.084 1 1 134 . 3 1 1 A 11 11 ILE CB C 11 37.500 37.430 0.070 1 1 138 . 3 1 1 A 11 11 ILE N N 11 121.700 121.313 0.387 1 1 139 . 3 1 1 A 12 12 ARG H H 12 7.720 8.140 -0.420 1 1 140 . 3 1 1 A 12 12 ARG HA H 12 3.610 4.023 -0.413 1 1 147 . 3 1 1 A 12 12 ARG CA C 12 61.300 58.733 2.567 1 1 148 . 3 1 1 A 12 12 ARG CB C 12 30.100 29.916 0.184 1 1 151 . 3 1 1 A 12 12 ARG N N 12 118.400 120.667 -2.267 1 1 152 . 3 1 1 A 13 13 VAL H H 13 8.480 7.797 0.683 1 1 153 . 3 1 1 A 13 13 VAL HA H 13 3.640 3.577 0.063 1 1 161 . 3 1 1 A 13 13 VAL CA C 13 66.400 66.402 -0.002 1 1 162 . 3 1 1 A 13 13 VAL CB C 13 31.600 31.787 -0.187 1 1 165 . 3 1 1 A 13 13 VAL N N 13 118.400 120.968 -2.568 1 1 166 . 3 1 1 A 14 14 HIS H H 14 7.790 8.419 -0.629 1 1 167 . 3 1 1 A 14 14 HIS HA H 14 4.620 4.307 0.313 1 1 172 . 3 1 1 A 14 14 HIS CA C 14 57.500 59.028 -1.528 1 1 173 . 3 1 1 A 14 14 HIS CB C 14 31.100 29.318 1.782 1 1 176 . 3 1 1 A 14 14 HIS N N 14 119.600 118.656 0.944 1 1 177 . 3 1 1 A 15 15 GLY H H 15 8.290 8.490 -0.200 1 1 178 . 3 1 1 A 15 15 GLY HA2 H 15 3.400 3.694 -0.294 1 1 179 . 3 1 1 A 15 15 GLY HA3 H 15 3.620 3.726 -0.106 1 1 180 . 3 1 1 A 15 15 GLY CA C 15 47.800 47.198 0.602 1 1 181 . 3 1 1 A 15 15 GLY N N 15 104.200 105.758 -1.558 1 1 182 . 3 1 1 A 16 16 ALA H H 16 8.650 7.689 0.961 1 1 183 . 3 1 1 A 16 16 ALA HA H 16 3.940 3.972 -0.032 1 1 187 . 3 1 1 A 16 16 ALA CA C 16 55.500 54.484 1.016 1 1 188 . 3 1 1 A 16 16 ALA CB C 16 18.600 18.124 0.476 1 1 189 . 3 1 1 A 16 16 ALA N N 16 125.700 125.205 0.495 1 1 190 . 3 1 1 A 17 17 ASP H H 17 9.020 8.165 0.855 1 1 191 . 3 1 1 A 17 17 ASP HA H 17 4.420 4.351 0.069 1 1 194 . 3 1 1 A 17 17 ASP CA C 17 56.700 56.574 0.126 1 1 195 . 3 1 1 A 17 17 ASP CB C 17 41.300 41.136 0.164 1 1 196 . 3 1 1 A 17 17 ASP N N 17 119.300 119.442 -0.142 1 1 197 . 3 1 1 A 18 18 ALA H H 18 8.210 7.403 0.807 1 1 198 . 3 1 1 A 18 18 ALA HA H 18 4.180 4.156 0.024 1 1 202 . 3 1 1 A 18 18 ALA CA C 18 53.100 54.824 -1.724 1 1 203 . 3 1 1 A 18 18 ALA CB C 18 19.000 18.256 0.744 1 1 204 . 3 1 1 A 18 18 ALA N N 18 118.300 120.396 -2.096 1 1 205 . 3 1 1 A 19 19 TYR H H 19 7.080 7.494 -0.414 1 1 206 . 3 1 1 A 19 19 TYR HA H 19 4.190 5.022 -0.832 1 1 213 . 3 1 1 A 19 19 TYR CA C 19 58.300 57.220 1.080 1 1 214 . 3 1 1 A 19 19 TYR CB C 19 39.100 38.246 0.854 1 1 217 . 3 1 1 A 19 19 TYR N N 19 118.200 117.974 0.226 1 1 218 . 3 1 1 A 20 20 PRO HA H 20 2.690 4.608 -1.918 1 1 225 . 3 1 1 A 20 20 PRO CA C 20 63.300 64.228 -0.928 1 1 226 . 3 1 1 A 20 20 PRO CB C 20 33.500 31.655 1.845 1 1 229 . 3 1 1 A 21 21 GLU H H 21 8.660 7.913 0.747 1 1 230 . 3 1 1 A 21 21 GLU HA H 21 4.420 4.268 0.152 1 1 235 . 3 1 1 A 21 21 GLU CA C 21 55.300 55.939 -0.639 1 1 236 . 3 1 1 A 21 21 GLU CB C 21 30.400 30.192 0.208 1 1 238 . 3 1 1 A 21 21 GLU N N 21 124.800 119.633 5.167 1 1 239 . 3 1 1 A 22 22 GLU H H 22 8.290 8.224 0.066 1 1 240 . 3 1 1 A 22 22 GLU HA H 22 3.990 4.472 -0.482 1 1 245 . 3 1 1 A 22 22 GLU CA C 22 56.400 55.376 1.024 1 1 246 . 3 1 1 A 22 22 GLU CB C 22 30.900 30.611 0.289 1 1 248 . 3 1 1 A 22 22 GLU N N 22 119.700 121.033 -1.333 1 1 249 . 3 1 1 A 23 23 GLY H H 23 8.770 8.702 0.068 1 1 250 . 3 1 1 A 23 23 GLY HA2 H 23 2.430 3.726 -1.296 1 1 251 . 3 1 1 A 23 23 GLY HA3 H 23 4.270 3.762 0.508 1 1 252 . 3 1 1 A 23 23 GLY CA C 23 42.900 46.961 -4.061 1 1 253 . 3 1 1 A 23 23 GLY N N 23 112.400 109.038 3.362 1 1 254 . 3 1 1 A 24 24 CYS H H 24 8.580 7.877 0.703 1 1 255 . 3 1 1 A 24 24 CYS HA H 24 4.630 4.045 0.585 1 1 258 . 3 1 1 A 24 24 CYS CA C 24 54.900 60.920 -6.020 1 1 259 . 3 1 1 A 24 24 CYS CB C 24 31.300 26.529 4.771 1 1 260 . 3 1 1 A 24 24 CYS N N 24 118.100 115.509 2.591 1 1 261 . 3 1 1 A 25 25 GLY H H 25 6.730 7.541 -0.811 1 1 262 . 3 1 1 A 25 25 GLY HA2 H 25 3.650 3.938 -0.288 1 1 263 . 3 1 1 A 25 25 GLY HA3 H 25 4.030 3.964 0.066 1 1 264 . 3 1 1 A 25 25 GLY CA C 25 45.900 44.341 1.559 1 1 265 . 3 1 1 A 25 25 GLY N N 25 104.600 108.646 -4.046 1 1 266 . 3 1 1 A 26 26 PHE H H 26 9.350 8.773 0.577 1 1 267 . 3 1 1 A 26 26 PHE HA H 26 5.130 5.254 -0.124 1 1 275 . 3 1 1 A 26 26 PHE CA C 26 56.900 57.068 -0.168 1 1 276 . 3 1 1 A 26 26 PHE CB C 26 43.300 42.470 0.830 1 1 280 . 3 1 1 A 26 26 PHE N N 26 114.900 119.991 -5.091 1 1 281 . 3 1 1 A 27 27 LEU H H 27 8.320 9.692 -1.372 1 1 282 . 3 1 1 A 27 27 LEU HA H 27 4.590 5.234 -0.644 1 1 292 . 3 1 1 A 27 27 LEU CA C 27 52.900 53.608 -0.708 1 1 293 . 3 1 1 A 27 27 LEU CB C 27 41.200 43.151 -1.951 1 1 297 . 3 1 1 A 27 27 LEU N N 27 119.100 122.483 -3.383 1 1 298 . 3 1 1 A 28 28 LEU H H 28 9.050 9.329 -0.279 1 1 299 . 3 1 1 A 28 28 LEU HA H 28 5.390 5.386 0.004 1 1 309 . 3 1 1 A 28 28 LEU CA C 28 51.900 53.126 -1.226 1 1 310 . 3 1 1 A 28 28 LEU CB C 28 42.900 44.532 -1.632 1 1 314 . 3 1 1 A 28 28 LEU N N 28 123.500 124.454 -0.954 1 1 315 . 3 1 1 A 29 29 GLY H H 29 9.950 8.388 1.562 1 1 316 . 3 1 1 A 29 29 GLY HA2 H 29 5.270 4.286 0.984 1 1 317 . 3 1 1 A 29 29 GLY HA3 H 29 3.900 4.293 -0.393 1 1 318 . 3 1 1 A 29 29 GLY CA C 29 46.700 46.192 0.508 1 1 319 . 3 1 1 A 29 29 GLY N N 29 112.400 109.508 2.892 1 1 320 . 3 1 1 A 30 30 THR H H 30 8.810 8.645 0.165 1 1 321 . 3 1 1 A 30 30 THR HA H 30 4.810 5.207 -0.397 1 1 326 . 3 1 1 A 30 30 THR CA C 30 59.900 59.328 0.572 1 1 327 . 3 1 1 A 30 30 THR CB C 30 72.200 71.661 0.539 1 1 329 . 3 1 1 A 30 30 THR N N 30 116.000 114.505 1.495 1 1 330 . 3 1 1 A 31 31 VAL H H 31 8.530 8.687 -0.157 1 1 331 . 3 1 1 A 31 31 VAL HA H 31 4.830 4.629 0.201 1 1 339 . 3 1 1 A 31 31 VAL CA C 31 61.900 61.694 0.206 1 1 340 . 3 1 1 A 31 31 VAL CB C 31 32.200 32.459 -0.259 1 1 343 . 3 1 1 A 31 31 VAL N N 31 124.200 123.791 0.409 1 1 344 . 3 1 1 A 32 32 THR H H 32 9.040 8.683 0.357 1 1 345 . 3 1 1 A 32 32 THR HA H 32 4.580 4.863 -0.283 1 1 350 . 3 1 1 A 32 32 THR CA C 32 61.200 60.175 1.025 1 1 351 . 3 1 1 A 32 32 THR CB C 32 70.700 71.585 -0.885 1 1 353 . 3 1 1 A 32 32 THR N N 32 118.900 119.628 -0.728 1 1 354 . 3 1 1 A 33 33 ASP H H 33 8.980 9.369 -0.389 1 1 355 . 3 1 1 A 33 33 ASP HA H 33 4.400 4.346 0.054 1 1 358 . 3 1 1 A 33 33 ASP CA C 33 56.800 55.425 1.375 1 1 359 . 3 1 1 A 33 33 ASP CB C 33 40.100 40.183 -0.083 1 1 360 . 3 1 1 A 33 33 ASP N N 33 121.100 128.671 -7.571 1 1 361 . 3 1 1 A 34 34 ASP H H 34 7.960 8.463 -0.503 1 1 362 . 3 1 1 A 34 34 ASP HA H 34 4.640 4.272 0.368 1 1 365 . 3 1 1 A 34 34 ASP CA C 34 53.500 55.598 -2.098 1 1 366 . 3 1 1 A 34 34 ASP CB C 34 40.400 40.586 -0.186 1 1 367 . 3 1 1 A 34 34 ASP N N 34 115.400 118.251 -2.851 1 1 368 . 3 1 1 A 35 35 GLY H H 35 8.080 8.073 0.007 1 1 369 . 3 1 1 A 35 35 GLY HA2 H 35 3.590 4.044 -0.454 1 1 370 . 3 1 1 A 35 35 GLY HA3 H 35 4.200 4.053 0.147 1 1 371 . 3 1 1 A 35 35 GLY CA C 35 45.400 45.950 -0.550 1 1 372 . 3 1 1 A 35 35 GLY N N 35 108.400 107.067 1.333 1 1 373 . 3 1 1 A 36 36 ASP H H 36 7.690 7.870 -0.180 1 1 374 . 3 1 1 A 36 36 ASP HA H 36 4.790 4.989 -0.199 1 1 377 . 3 1 1 A 36 36 ASP CA C 36 51.900 52.393 -0.493 1 1 378 . 3 1 1 A 36 36 ASP CB C 36 42.300 43.369 -1.069 1 1 379 . 3 1 1 A 36 36 ASP N N 36 120.100 120.839 -0.739 1 1 380 . 3 1 1 A 37 37 ASN H H 37 8.920 9.117 -0.197 1 1 381 . 3 1 1 A 37 37 ASN HA H 37 5.180 5.542 -0.362 1 1 386 . 3 1 1 A 37 37 ASN CA C 37 52.900 51.315 1.585 1 1 387 . 3 1 1 A 37 37 ASN CB C 37 38.800 42.480 -3.680 1 1 388 . 3 1 1 A 37 37 ASN N N 37 119.000 118.424 0.576 1 1 390 . 3 1 1 A 38 38 ARG H H 38 9.480 9.284 0.196 1 1 391 . 3 1 1 A 38 38 ARG HA H 38 5.310 5.369 -0.059 1 1 398 . 3 1 1 A 38 38 ARG CA C 38 53.500 54.723 -1.223 1 1 399 . 3 1 1 A 38 38 ARG CB C 38 31.000 32.142 -1.142 1 1 402 . 3 1 1 A 38 38 ARG N N 38 126.900 122.696 4.204 1 1 403 . 3 1 1 A 39 39 VAL H H 39 8.810 8.814 -0.004 1 1 404 . 3 1 1 A 39 39 VAL HA H 39 4.150 4.159 -0.009 1 1 412 . 3 1 1 A 39 39 VAL CA C 39 62.800 63.036 -0.236 1 1 413 . 3 1 1 A 39 39 VAL CB C 39 33.100 31.637 1.463 1 1 416 . 3 1 1 A 39 39 VAL N N 39 125.700 127.747 -2.047 1 1 417 . 3 1 1 A 40 40 ALA H H 40 9.680 8.921 0.759 1 1 418 . 3 1 1 A 40 40 ALA HA H 40 4.690 4.660 0.030 1 1 422 . 3 1 1 A 40 40 ALA CA C 40 51.300 51.150 0.150 1 1 423 . 3 1 1 A 40 40 ALA CB C 40 22.700 20.652 2.048 1 1 424 . 3 1 1 A 40 40 ALA N N 40 102.300 128.419 -26.119 1 1 425 . 3 1 1 A 41 41 ALA H H 41 8.370 7.698 0.672 1 1 426 . 3 1 1 A 41 41 ALA HA H 41 4.530 4.872 -0.342 1 1 430 . 3 1 1 A 41 41 ALA CA C 41 51.700 51.580 0.120 1 1 431 . 3 1 1 A 41 41 ALA CB C 41 22.200 23.221 -1.021 1 1 432 . 3 1 1 A 41 41 ALA N N 41 120.200 118.900 1.300 1 1 433 . 3 1 1 A 42 42 LEU H H 42 8.690 8.602 0.088 1 1 434 . 3 1 1 A 42 42 LEU HA H 42 5.320 5.268 0.052 1 1 444 . 3 1 1 A 42 42 LEU CA C 42 53.500 53.423 0.077 1 1 445 . 3 1 1 A 42 42 LEU CB C 42 46.300 45.251 1.049 1 1 449 . 3 1 1 A 42 42 LEU N N 42 118.300 120.538 -2.238 1 1 450 . 3 1 1 A 43 43 HIS H H 43 8.820 8.789 0.031 1 1 451 . 3 1 1 A 43 43 HIS HA H 43 4.870 5.297 -0.427 1 1 456 . 3 1 1 A 43 43 HIS CA C 43 56.300 54.970 1.330 1 1 457 . 3 1 1 A 43 43 HIS CB C 43 34.200 33.562 0.638 1 1 460 . 3 1 1 A 43 43 HIS N N 43 120.700 123.848 -3.148 1 1 461 . 3 1 1 A 44 44 ARG H H 44 8.580 8.546 0.034 1 1 462 . 3 1 1 A 44 44 ARG HA H 44 4.420 5.275 -0.855 1 1 469 . 3 1 1 A 44 44 ARG CA C 44 57.400 54.690 2.710 1 1 470 . 3 1 1 A 44 44 ARG CB C 44 31.100 32.675 -1.575 1 1 473 . 3 1 1 A 44 44 ARG N N 44 128.300 124.344 3.956 1 1 474 . 3 1 1 A 45 45 ALA H H 45 8.580 8.402 0.178 1 1 475 . 3 1 1 A 45 45 ALA HA H 45 4.720 4.822 -0.102 1 1 479 . 3 1 1 A 45 45 ALA CA C 45 51.500 52.678 -1.178 1 1 480 . 3 1 1 A 45 45 ALA CB C 45 20.200 18.269 1.931 1 1 481 . 3 1 1 A 45 45 ALA N N 45 125.700 124.553 1.147 1 1 482 . 3 1 1 A 46 46 THR H H 46 8.250 9.146 -0.896 1 1 483 . 3 1 1 A 46 46 THR HA H 46 4.270 4.795 -0.525 1 1 488 . 3 1 1 A 46 46 THR CA C 46 62.000 61.136 0.864 1 1 489 . 3 1 1 A 46 46 THR CB C 46 69.900 72.103 -2.203 1 1 491 . 3 1 1 A 46 46 THR N N 46 115.500 117.554 -2.054 1 1 492 . 3 1 1 A 47 47 ASN H H 47 8.590 9.074 -0.484 1 1 493 . 3 1 1 A 47 47 ASN HA H 47 4.620 5.647 -1.027 1 1 498 . 3 1 1 A 47 47 ASN CA C 47 53.400 51.525 1.875 1 1 499 . 3 1 1 A 47 47 ASN CB C 47 38.400 39.962 -1.562 1 1 500 . 3 1 1 A 47 47 ASN N N 47 122.400 123.874 -1.474 1 1 502 . 3 1 1 A 50 50 SER H H 50 8.480 8.915 -0.435 1 1 503 . 3 1 1 A 50 50 SER HA H 50 4.400 4.653 -0.253 1 1 506 . 3 1 1 A 50 50 SER CA C 50 58.900 59.322 -0.422 1 1 507 . 3 1 1 A 50 50 SER CB C 50 63.600 65.835 -2.235 1 1 508 . 3 1 1 A 50 50 SER N N 50 116.600 124.006 -7.406 1 1 509 . 3 1 1 A 51 51 GLU H H 51 8.510 7.796 0.714 1 1 510 . 3 1 1 A 51 51 GLU HA H 51 4.300 4.600 -0.300 1 1 515 . 3 1 1 A 51 51 GLU CA C 51 56.800 55.758 1.042 1 1 516 . 3 1 1 A 51 51 GLU CB C 51 29.900 31.016 -1.116 1 1 518 . 3 1 1 A 51 51 GLU N N 51 121.800 118.156 3.644 1 1 519 . 3 1 1 A 52 52 GLN H H 52 8.300 8.717 -0.417 1 1 520 . 3 1 1 A 52 52 GLN HA H 52 4.310 4.504 -0.194 1 1 527 . 3 1 1 A 52 52 GLN CA C 52 55.900 55.044 0.856 1 1 528 . 3 1 1 A 52 52 GLN CB C 52 29.000 27.834 1.166 1 1 530 . 3 1 1 A 52 52 GLN N N 52 119.500 124.567 -5.067 1 1 532 . 3 1 1 A 53 53 ARG H H 53 8.350 8.312 0.038 1 1 533 . 3 1 1 A 53 53 ARG HA H 53 4.310 5.044 -0.734 1 1 540 . 3 1 1 A 53 53 ARG CA C 53 56.800 54.433 2.367 1 1 541 . 3 1 1 A 53 53 ARG CB C 53 30.700 33.057 -2.357 1 1 544 . 3 1 1 A 53 53 ARG N N 53 121.000 126.729 -5.729 1 1 545 . 3 1 1 A 54 54 THR H H 54 8.140 8.720 -0.580 1 1 546 . 3 1 1 A 54 54 THR HA H 54 4.340 4.919 -0.579 1 1 551 . 3 1 1 A 54 54 THR CA C 54 61.900 59.862 2.038 1 1 552 . 3 1 1 A 54 54 THR CB C 54 69.600 70.687 -1.087 1 1 554 . 3 1 1 A 54 54 THR N N 54 113.100 116.784 -3.684 1 1 555 . 3 1 1 A 64 64 TYR H H 64 8.220 8.413 -0.193 1 1 556 . 3 1 1 A 64 64 TYR HA H 64 3.360 3.708 -0.348 1 1 563 . 3 1 1 A 64 64 TYR CA C 64 61.600 61.283 0.317 1 1 564 . 3 1 1 A 64 64 TYR CB C 64 37.700 38.744 -1.044 1 1 567 . 3 1 1 A 64 64 TYR N N 64 120.700 120.473 0.227 1 1 568 . 3 1 1 A 65 65 ARG H H 65 8.340 7.949 0.391 1 1 569 . 3 1 1 A 65 65 ARG HA H 65 3.930 3.788 0.142 1 1 576 . 3 1 1 A 65 65 ARG CA C 65 59.600 59.619 -0.019 1 1 577 . 3 1 1 A 65 65 ARG CB C 65 30.100 29.996 0.104 1 1 580 . 3 1 1 A 65 65 ARG N N 65 119.200 118.263 0.937 1 1 581 . 3 1 1 A 66 66 ALA H H 66 7.790 7.744 0.046 1 1 582 . 3 1 1 A 66 66 ALA HA H 66 4.090 4.108 -0.018 1 1 586 . 3 1 1 A 66 66 ALA CA C 66 54.700 54.889 -0.189 1 1 587 . 3 1 1 A 66 66 ALA CB C 66 18.100 18.231 -0.131 1 1 588 . 3 1 1 A 66 66 ALA N N 66 121.900 121.949 -0.049 1 1 589 . 3 1 1 A 67 67 ALA H H 67 7.550 7.842 -0.292 1 1 590 . 3 1 1 A 67 67 ALA HA H 67 2.940 3.406 -0.466 1 1 594 . 3 1 1 A 67 67 ALA CA C 67 54.300 54.720 -0.420 1 1 595 . 3 1 1 A 67 67 ALA CB C 67 18.000 17.524 0.476 1 1 596 . 3 1 1 A 67 67 ALA N N 67 123.000 120.507 2.493 1 1 597 . 3 1 1 A 68 68 ASP H H 68 8.320 8.152 0.168 1 1 598 . 3 1 1 A 68 68 ASP HA H 68 4.100 4.061 0.039 1 1 601 . 3 1 1 A 68 68 ASP CA C 68 56.800 55.832 0.968 1 1 602 . 3 1 1 A 68 68 ASP CB C 68 41.400 40.926 0.474 1 1 603 . 3 1 1 A 68 68 ASP N N 68 118.100 118.130 -0.030 1 1 604 . 3 1 1 A 69 69 ALA H H 69 7.790 8.353 -0.563 1 1 605 . 3 1 1 A 69 69 ALA HA H 69 4.010 4.016 -0.006 1 1 609 . 3 1 1 A 69 69 ALA CA C 69 55.000 55.056 -0.056 1 1 610 . 3 1 1 A 69 69 ALA CB C 69 17.600 18.220 -0.620 1 1 611 . 3 1 1 A 69 69 ALA N N 69 121.200 120.799 0.401 1 1 612 . 3 1 1 A 70 70 ALA H H 70 7.490 7.947 -0.457 1 1 613 . 3 1 1 A 70 70 ALA HA H 70 4.070 4.240 -0.170 1 1 617 . 3 1 1 A 70 70 ALA CA C 70 54.500 54.847 -0.347 1 1 618 . 3 1 1 A 70 70 ALA CB C 70 17.900 18.434 -0.534 1 1 619 . 3 1 1 A 70 70 ALA N N 70 121.200 119.884 1.316 1 1 620 . 3 1 1 A 71 71 ALA H H 71 8.620 8.050 0.570 1 1 621 . 3 1 1 A 71 71 ALA HA H 71 3.660 3.979 -0.319 1 1 625 . 3 1 1 A 71 71 ALA CA C 71 55.300 55.356 -0.056 1 1 626 . 3 1 1 A 71 71 ALA CB C 71 17.800 18.105 -0.305 1 1 627 . 3 1 1 A 71 71 ALA N N 71 121.600 120.484 1.116 1 1 628 . 3 1 1 A 72 72 GLN H H 72 8.700 8.315 0.385 1 1 629 . 3 1 1 A 72 72 GLN HA H 72 4.080 4.012 0.068 1 1 636 . 3 1 1 A 72 72 GLN CA C 72 59.000 58.449 0.551 1 1 637 . 3 1 1 A 72 72 GLN CB C 72 28.000 27.888 0.112 1 1 639 . 3 1 1 A 72 72 GLN N N 72 118.600 116.504 2.096 1 1 641 . 3 1 1 A 73 73 GLU H H 73 7.640 8.221 -0.581 1 1 642 . 3 1 1 A 73 73 GLU HA H 73 4.080 4.097 -0.017 1 1 647 . 3 1 1 A 73 73 GLU CA C 73 58.800 59.155 -0.355 1 1 648 . 3 1 1 A 73 73 GLU CB C 73 29.600 29.429 0.171 1 1 650 . 3 1 1 A 73 73 GLU N N 73 119.000 119.476 -0.476 1 1 651 . 3 1 1 A 74 74 GLN H H 74 7.400 7.772 -0.372 1 1 652 . 3 1 1 A 74 74 GLN HA H 74 4.470 4.364 0.106 1 1 659 . 3 1 1 A 74 74 GLN CA C 74 55.000 55.044 -0.044 1 1 660 . 3 1 1 A 74 74 GLN CB C 74 30.900 29.082 1.818 1 1 662 . 3 1 1 A 74 74 GLN N N 74 114.600 116.574 -1.974 1 1 664 . 3 1 1 A 75 75 GLY H H 75 7.830 8.304 -0.474 1 1 665 . 3 1 1 A 75 75 GLY HA2 H 75 3.950 3.943 0.007 1 1 666 . 3 1 1 A 75 75 GLY HA3 H 75 3.870 3.947 -0.077 1 1 667 . 3 1 1 A 75 75 GLY CA C 75 46.500 46.427 0.073 1 1 668 . 3 1 1 A 75 75 GLY N N 75 109.300 109.098 0.202 1 1 669 . 3 1 1 A 76 76 LEU H H 76 8.110 8.378 -0.268 1 1 670 . 3 1 1 A 76 76 LEU HA H 76 4.650 4.959 -0.309 1 1 680 . 3 1 1 A 76 76 LEU CA C 76 52.500 53.036 -0.536 1 1 681 . 3 1 1 A 76 76 LEU CB C 76 45.700 45.696 0.004 1 1 685 . 3 1 1 A 76 76 LEU N N 76 119.300 120.314 -1.014 1 1 686 . 3 1 1 A 77 77 ASP H H 77 8.990 9.340 -0.350 1 1 687 . 3 1 1 A 77 77 ASP HA H 77 5.120 5.128 -0.008 1 1 690 . 3 1 1 A 77 77 ASP CA C 77 52.600 52.532 0.068 1 1 691 . 3 1 1 A 77 77 ASP CB C 77 44.600 43.805 0.795 1 1 692 . 3 1 1 A 77 77 ASP N N 77 117.600 118.164 -0.564 1 1 693 . 3 1 1 A 78 78 VAL H H 78 9.070 8.911 0.159 1 1 694 . 3 1 1 A 78 78 VAL HA H 78 4.090 4.105 -0.015 1 1 702 . 3 1 1 A 78 78 VAL CA C 78 63.900 63.162 0.738 1 1 703 . 3 1 1 A 78 78 VAL CB C 78 30.900 31.141 -0.241 1 1 706 . 3 1 1 A 78 78 VAL N N 78 121.900 120.690 1.210 1 1 707 . 3 1 1 A 79 79 VAL H H 79 8.360 8.939 -0.579 1 1 708 . 3 1 1 A 79 79 VAL HA H 79 4.300 4.502 -0.202 1 1 716 . 3 1 1 A 79 79 VAL CA C 79 59.500 62.078 -2.578 1 1 717 . 3 1 1 A 79 79 VAL CB C 79 32.600 32.826 -0.226 1 1 720 . 3 1 1 A 79 79 VAL N N 79 116.700 121.704 -5.004 1 1 721 . 3 1 1 A 80 80 GLY H H 80 6.970 7.428 -0.458 1 1 722 . 3 1 1 A 80 80 GLY HA2 H 80 4.380 4.142 0.238 1 1 723 . 3 1 1 A 80 80 GLY HA3 H 80 3.550 4.208 -0.658 1 1 724 . 3 1 1 A 80 80 GLY CA C 80 46.900 45.683 1.217 1 1 725 . 3 1 1 A 80 80 GLY N N 80 106.200 109.326 -3.126 1 1 726 . 3 1 1 A 81 81 VAL H H 81 8.510 8.870 -0.360 1 1 727 . 3 1 1 A 81 81 VAL HA H 81 4.900 5.027 -0.127 1 1 735 . 3 1 1 A 81 81 VAL CA C 81 59.400 60.287 -0.887 1 1 736 . 3 1 1 A 81 81 VAL CB C 81 37.600 35.754 1.846 1 1 739 . 3 1 1 A 81 81 VAL N N 81 116.200 119.554 -3.354 1 1 740 . 3 1 1 A 82 82 TYR H H 82 8.370 8.894 -0.524 1 1 741 . 3 1 1 A 82 82 TYR HA H 82 6.000 6.057 -0.057 1 1 748 . 3 1 1 A 82 82 TYR CA C 82 54.900 55.686 -0.786 1 1 749 . 3 1 1 A 82 82 TYR CB C 82 42.800 42.439 0.361 1 1 752 . 3 1 1 A 82 82 TYR N N 82 118.100 121.452 -3.352 1 1 753 . 3 1 1 A 83 83 HIS H H 83 8.520 8.721 -0.201 1 1 754 . 3 1 1 A 83 83 HIS HA H 83 5.150 5.041 0.109 1 1 759 . 3 1 1 A 83 83 HIS CA C 83 54.900 55.446 -0.546 1 1 760 . 3 1 1 A 83 83 HIS CB C 83 33.200 33.314 -0.114 1 1 763 . 3 1 1 A 83 83 HIS N N 83 115.400 121.329 -5.929 1 1 764 . 3 1 1 A 84 84 SER H H 84 9.060 8.749 0.311 1 1 765 . 3 1 1 A 84 84 SER HA H 84 5.590 5.363 0.227 1 1 768 . 3 1 1 A 84 84 SER CA C 84 55.800 55.723 0.077 1 1 769 . 3 1 1 A 84 84 SER CB C 84 65.500 65.989 -0.489 1 1 770 . 3 1 1 A 84 84 SER N N 84 117.100 121.132 -4.032 1 1 771 . 3 1 1 A 85 85 HIS H H 85 8.980 8.573 0.407 1 1 772 . 3 1 1 A 85 85 HIS HA H 85 4.830 4.943 -0.113 1 1 777 . 3 1 1 A 85 85 HIS CA C 85 50.400 53.817 -3.417 1 1 778 . 3 1 1 A 85 85 HIS CB C 85 32.000 31.517 0.483 1 1 781 . 3 1 1 A 85 85 HIS N N 85 117.600 118.942 -1.342 1 1 782 . 3 1 1 A 86 86 PRO HA H 86 5.080 4.634 0.446 1 1 789 . 3 1 1 A 86 86 PRO CA C 86 62.400 62.678 -0.278 1 1 790 . 3 1 1 A 86 86 PRO CB C 86 32.400 29.870 2.530 1 1 793 . 3 1 1 A 87 87 ASP H H 87 10.300 8.445 1.855 1 1 794 . 3 1 1 A 87 87 ASP HA H 87 4.320 4.232 0.088 1 1 797 . 3 1 1 A 87 87 ASP CA C 87 56.600 54.776 1.824 1 1 798 . 3 1 1 A 87 87 ASP CB C 87 39.600 39.225 0.375 1 1 799 . 3 1 1 A 87 87 ASP N N 87 123.100 123.042 0.058 1 1 800 . 3 1 1 A 88 88 HIS H H 88 7.500 8.483 -0.983 1 1 801 . 3 1 1 A 88 88 HIS HA H 88 5.050 4.970 0.080 1 1 806 . 3 1 1 A 88 88 HIS CA C 88 54.700 54.148 0.552 1 1 807 . 3 1 1 A 88 88 HIS CB C 88 32.400 33.422 -1.022 1 1 810 . 3 1 1 A 88 88 HIS N N 88 115.000 121.697 -6.697 1 1 811 . 3 1 1 A 89 89 PRO HA H 89 4.370 4.391 -0.021 1 1 818 . 3 1 1 A 89 89 PRO CA C 89 62.700 63.922 -1.222 1 1 819 . 3 1 1 A 89 89 PRO CB C 89 31.600 32.067 -0.467 1 1 822 . 3 1 1 A 90 90 ALA H H 90 8.020 8.079 -0.059 1 1 823 . 3 1 1 A 90 90 ALA HA H 90 4.290 4.124 0.166 1 1 827 . 3 1 1 A 90 90 ALA CA C 90 50.800 54.408 -3.608 1 1 828 . 3 1 1 A 90 90 ALA CB C 90 16.600 18.211 -1.611 1 1 829 . 3 1 1 A 90 90 ALA N N 90 125.800 119.784 6.016 1 1 830 . 3 1 1 A 91 91 ARG H H 91 7.990 7.753 0.237 1 1 831 . 3 1 1 A 91 91 ARG HA H 91 4.300 4.504 -0.204 1 1 838 . 3 1 1 A 91 91 ARG CA C 91 53.100 53.826 -0.726 1 1 839 . 3 1 1 A 91 91 ARG CB C 91 31.800 30.921 0.879 1 1 842 . 3 1 1 A 91 91 ARG N N 91 121.900 116.815 5.085 1 1 843 . 3 1 1 A 92 92 PRO HA H 92 4.070 4.272 -0.202 1 1 850 . 3 1 1 A 92 92 PRO CA C 92 62.300 62.749 -0.449 1 1 851 . 3 1 1 A 92 92 PRO CB C 92 32.500 31.366 1.134 1 1 854 . 3 1 1 A 93 93 SER H H 93 9.960 8.592 1.368 1 1 855 . 3 1 1 A 93 93 SER HA H 93 4.630 4.586 0.044 1 1 858 . 3 1 1 A 93 93 SER CA C 93 56.300 57.745 -1.445 1 1 859 . 3 1 1 A 93 93 SER CB C 93 66.500 64.368 2.132 1 1 860 . 3 1 1 A 93 93 SER N N 93 121.800 117.313 4.487 1 1 861 . 3 1 1 A 94 94 ALA H H 94 8.880 8.986 -0.106 1 1 862 . 3 1 1 A 94 94 ALA HA H 94 4.130 4.016 0.114 1 1 866 . 3 1 1 A 94 94 ALA CA C 94 55.400 55.637 -0.237 1 1 867 . 3 1 1 A 94 94 ALA CB C 94 18.000 18.023 -0.023 1 1 868 . 3 1 1 A 94 94 ALA N N 94 123.100 124.927 -1.827 1 1 869 . 3 1 1 A 95 95 THR H H 95 7.870 7.993 -0.123 1 1 870 . 3 1 1 A 95 95 THR HA H 95 3.920 4.469 -0.549 1 1 875 . 3 1 1 A 95 95 THR CA C 95 65.700 66.459 -0.759 1 1 876 . 3 1 1 A 95 95 THR CB C 95 68.400 68.213 0.187 1 1 878 . 3 1 1 A 95 95 THR N N 95 114.300 114.629 -0.329 1 1 879 . 3 1 1 A 96 96 ASP H H 96 7.420 8.124 -0.704 1 1 880 . 3 1 1 A 96 96 ASP HA H 96 4.230 4.426 -0.196 1 1 883 . 3 1 1 A 96 96 ASP CA C 96 57.400 57.343 0.057 1 1 884 . 3 1 1 A 96 96 ASP CB C 96 40.100 40.717 -0.617 1 1 885 . 3 1 1 A 96 96 ASP N N 96 121.000 121.269 -0.269 1 1 886 . 3 1 1 A 97 97 LEU H H 97 7.490 7.698 -0.208 1 1 887 . 3 1 1 A 97 97 LEU HA H 97 4.000 4.375 -0.375 1 1 897 . 3 1 1 A 97 97 LEU CA C 97 57.600 57.774 -0.174 1 1 898 . 3 1 1 A 97 97 LEU CB C 97 41.400 41.900 -0.500 1 1 902 . 3 1 1 A 97 97 LEU N N 97 118.900 120.161 -1.261 1 1 903 . 3 1 1 A 98 98 GLU H H 98 7.690 8.242 -0.552 1 1 904 . 3 1 1 A 98 98 GLU HA H 98 3.900 3.960 -0.060 1 1 909 . 3 1 1 A 98 98 GLU CA C 98 58.700 59.868 -1.168 1 1 910 . 3 1 1 A 98 98 GLU CB C 98 29.600 29.535 0.065 1 1 912 . 3 1 1 A 98 98 GLU N N 98 119.100 118.993 0.107 1 1 913 . 3 1 1 A 99 99 GLU H H 99 7.500 8.240 -0.740 1 1 914 . 3 1 1 A 99 99 GLU HA H 99 4.200 4.323 -0.123 1 1 919 . 3 1 1 A 99 99 GLU CA C 99 56.100 56.897 -0.797 1 1 920 . 3 1 1 A 99 99 GLU CB C 99 30.000 29.374 0.626 1 1 922 . 3 1 1 A 99 99 GLU N N 99 114.300 115.991 -1.691 1 1 923 . 3 1 1 A 100 100 ALA H H 100 7.400 7.108 0.292 1 1 924 . 3 1 1 A 100 100 ALA HA H 100 4.620 4.518 0.102 1 1 928 . 3 1 1 A 100 100 ALA CA C 100 52.000 51.733 0.267 1 1 929 . 3 1 1 A 100 100 ALA CB C 100 18.100 18.337 -0.237 1 1 930 . 3 1 1 A 100 100 ALA N N 100 125.900 124.001 1.899 1 1 931 . 3 1 1 A 101 101 THR H H 101 7.790 8.215 -0.425 1 1 932 . 3 1 1 A 101 101 THR HA H 101 4.050 4.643 -0.593 1 1 937 . 3 1 1 A 101 101 THR CA C 101 61.200 60.753 0.447 1 1 938 . 3 1 1 A 101 101 THR CB C 101 68.900 68.866 0.034 1 1 940 . 3 1 1 A 101 101 THR N N 101 111.700 119.136 -7.436 1 1 941 . 3 1 1 A 102 102 PHE H H 102 7.320 7.716 -0.396 1 1 942 . 3 1 1 A 102 102 PHE HA H 102 4.750 5.233 -0.483 1 1 950 . 3 1 1 A 102 102 PHE CA C 102 54.300 55.116 -0.816 1 1 951 . 3 1 1 A 102 102 PHE CB C 102 38.200 39.495 -1.295 1 1 955 . 3 1 1 A 102 102 PHE N N 102 120.200 121.210 -1.010 1 1 956 . 3 1 1 A 103 103 PRO HA H 103 4.480 4.528 -0.048 1 1 963 . 3 1 1 A 103 103 PRO CA C 103 64.100 63.857 0.243 1 1 964 . 3 1 1 A 103 103 PRO CB C 103 32.000 31.699 0.301 1 1 967 . 3 1 1 A 104 104 GLY H H 104 8.920 8.949 -0.029 1 1 968 . 3 1 1 A 104 104 GLY HA2 H 104 4.270 3.749 0.521 1 1 969 . 3 1 1 A 104 104 GLY HA3 H 104 4.160 3.863 0.297 1 1 970 . 3 1 1 A 104 104 GLY CA C 104 45.600 45.086 0.514 1 1 971 . 3 1 1 A 104 104 GLY N N 104 109.600 111.584 -1.984 1 1 972 . 3 1 1 A 105 105 PHE H H 105 7.250 7.740 -0.490 1 1 973 . 3 1 1 A 105 105 PHE HA H 105 4.930 4.517 0.413 1 1 981 . 3 1 1 A 105 105 PHE CA C 105 54.900 58.214 -3.314 1 1 982 . 3 1 1 A 105 105 PHE CB C 105 39.400 39.950 -0.550 1 1 986 . 3 1 1 A 105 105 PHE N N 105 120.100 120.236 -0.136 1 1 987 . 3 1 1 A 106 106 THR H H 106 8.110 8.419 -0.309 1 1 988 . 3 1 1 A 106 106 THR HA H 106 4.840 4.756 0.084 1 1 993 . 3 1 1 A 106 106 THR CA C 106 64.400 62.335 2.065 1 1 994 . 3 1 1 A 106 106 THR CB C 106 70.500 69.775 0.725 1 1 996 . 3 1 1 A 106 106 THR N N 106 118.600 118.338 0.262 1 1 997 . 3 1 1 A 107 107 TYR H H 107 9.660 9.527 0.133 1 1 998 . 3 1 1 A 107 107 TYR HA H 107 5.150 5.549 -0.399 1 1 1005 . 3 1 1 A 107 107 TYR CA C 107 56.900 57.317 -0.417 1 1 1006 . 3 1 1 A 107 107 TYR CB C 107 38.900 39.968 -1.068 1 1 1009 . 3 1 1 A 107 107 TYR N N 107 126.600 127.404 -0.804 1 1 1010 . 3 1 1 A 108 108 VAL H H 108 9.270 9.678 -0.408 1 1 1011 . 3 1 1 A 108 108 VAL HA H 108 5.220 4.808 0.412 1 1 1019 . 3 1 1 A 108 108 VAL CA C 108 60.800 62.341 -1.541 1 1 1020 . 3 1 1 A 108 108 VAL CB C 108 33.500 32.577 0.923 1 1 1023 . 3 1 1 A 108 108 VAL N N 108 124.400 124.314 0.086 1 1 1024 . 3 1 1 A 109 109 ILE H H 109 9.300 9.656 -0.356 1 1 1025 . 3 1 1 A 109 109 ILE HA H 109 5.150 5.164 -0.014 1 1 1035 . 3 1 1 A 109 109 ILE CA C 109 58.000 59.296 -1.296 1 1 1036 . 3 1 1 A 109 109 ILE CB C 109 39.600 39.379 0.221 1 1 1040 . 3 1 1 A 109 109 ILE N N 109 128.500 129.355 -0.855 1 1 1041 . 3 1 1 A 110 110 VAL H H 110 7.910 9.125 -1.215 1 1 1042 . 3 1 1 A 110 110 VAL HA H 110 5.650 5.305 0.345 1 1 1050 . 3 1 1 A 110 110 VAL CA C 110 56.800 59.421 -2.621 1 1 1051 . 3 1 1 A 110 110 VAL CB C 110 35.400 34.460 0.940 1 1 1054 . 3 1 1 A 110 110 VAL N N 110 122.600 128.923 -6.323 1 1 1055 . 3 1 1 A 111 111 SER H H 111 9.390 8.824 0.566 1 1 1056 . 3 1 1 A 111 111 SER HA H 111 4.850 4.803 0.047 1 1 1059 . 3 1 1 A 111 111 SER CA C 111 57.700 56.864 0.836 1 1 1060 . 3 1 1 A 111 111 SER CB C 111 64.500 64.123 0.377 1 1 1061 . 3 1 1 A 111 111 SER N N 111 124.700 124.191 0.509 1 1 1062 . 3 1 1 A 112 112 VAL H H 112 7.850 8.824 -0.974 1 1 1063 . 3 1 1 A 112 112 VAL HA H 112 4.530 4.434 0.096 1 1 1071 . 3 1 1 A 112 112 VAL CA C 112 61.000 61.220 -0.220 1 1 1072 . 3 1 1 A 112 112 VAL CB C 112 33.800 32.374 1.426 1 1 1075 . 3 1 1 A 112 112 VAL N N 112 126.100 127.584 -1.484 1 1 1076 . 3 1 1 A 113 113 ARG H H 113 8.620 9.220 -0.600 1 1 1077 . 3 1 1 A 113 113 ARG HA H 113 5.020 4.491 0.529 1 1 1084 . 3 1 1 A 113 113 ARG CA C 113 54.100 54.800 -0.700 1 1 1085 . 3 1 1 A 113 113 ARG CB C 113 31.500 30.550 0.950 1 1 1088 . 3 1 1 A 113 113 ARG N N 113 128.800 128.745 0.055 1 1 1089 . 3 1 1 A 114 114 ASP H H 114 9.650 8.738 0.912 1 1 1090 . 3 1 1 A 114 114 ASP HA H 114 4.370 4.400 -0.030 1 1 1093 . 3 1 1 A 114 114 ASP CA C 114 55.100 55.224 -0.124 1 1 1094 . 3 1 1 A 114 114 ASP CB C 114 39.800 40.104 -0.304 1 1 1095 . 3 1 1 A 114 114 ASP N N 114 128.100 126.483 1.617 1 1 1096 . 3 1 1 A 115 115 GLY H H 115 8.350 8.364 -0.014 1 1 1097 . 3 1 1 A 115 115 GLY HA2 H 115 3.980 4.057 -0.077 1 1 1098 . 3 1 1 A 115 115 GLY HA3 H 115 2.460 4.066 -1.606 1 1 1099 . 3 1 1 A 115 115 GLY CA C 115 45.500 45.202 0.298 1 1 1100 . 3 1 1 A 115 115 GLY N N 115 109.900 105.249 4.651 1 1 1101 . 3 1 1 A 116 116 ALA H H 116 7.610 7.632 -0.022 1 1 1102 . 3 1 1 A 116 116 ALA HA H 116 4.920 4.468 0.452 1 1 1106 . 3 1 1 A 116 116 ALA CA C 116 48.200 48.981 -0.781 1 1 1107 . 3 1 1 A 116 116 ALA CB C 116 19.600 19.717 -0.117 1 1 1108 . 3 1 1 A 116 116 ALA N N 116 123.900 124.525 -0.625 1 1 1109 . 3 1 1 A 117 117 PRO HA H 117 4.670 4.795 -0.125 1 1 1116 . 3 1 1 A 117 117 PRO CA C 117 62.900 62.630 0.270 1 1 1117 . 3 1 1 A 117 117 PRO CB C 117 31.500 31.746 -0.246 1 1 1120 . 3 1 1 A 118 118 GLU H H 118 8.900 9.225 -0.325 1 1 1121 . 3 1 1 A 118 118 GLU HA H 118 4.540 4.297 0.243 1 1 1126 . 3 1 1 A 118 118 GLU CA C 118 56.200 58.619 -2.419 1 1 1127 . 3 1 1 A 118 118 GLU CB C 118 30.500 30.584 -0.084 1 1 1129 . 3 1 1 A 118 118 GLU N N 118 127.400 123.697 3.703 1 1 1130 . 3 1 1 A 119 119 ALA H H 119 8.060 7.998 0.062 1 1 1131 . 3 1 1 A 119 119 ALA HA H 119 4.460 4.686 -0.226 1 1 1135 . 3 1 1 A 119 119 ALA CA C 119 52.600 50.080 2.520 1 1 1136 . 3 1 1 A 119 119 ALA CB C 119 21.000 21.213 -0.213 1 1 1137 . 3 1 1 A 119 119 ALA N N 119 123.500 121.877 1.623 1 1 1138 . 3 1 1 A 120 120 LEU H H 120 8.170 9.146 -0.976 1 1 1139 . 3 1 1 A 120 120 LEU HA H 120 5.400 5.156 0.244 1 1 1149 . 3 1 1 A 120 120 LEU CA C 120 55.000 53.666 1.334 1 1 1150 . 3 1 1 A 120 120 LEU CB C 120 45.300 42.793 2.507 1 1 1154 . 3 1 1 A 120 120 LEU N N 120 123.500 123.691 -0.191 1 1 1155 . 3 1 1 A 121 121 THR H H 121 9.450 9.045 0.405 1 1 1156 . 3 1 1 A 121 121 THR HA H 121 4.520 5.066 -0.546 1 1 1161 . 3 1 1 A 121 121 THR CA C 121 58.700 60.056 -1.356 1 1 1162 . 3 1 1 A 121 121 THR CB C 121 72.100 71.667 0.433 1 1 1164 . 3 1 1 A 121 121 THR N N 121 117.400 115.654 1.746 1 1 1165 . 3 1 1 A 122 122 ALA H H 122 8.620 8.689 -0.069 1 1 1166 . 3 1 1 A 122 122 ALA HA H 122 5.370 5.579 -0.209 1 1 1170 . 3 1 1 A 122 122 ALA CA C 122 50.400 49.916 0.484 1 1 1171 . 3 1 1 A 122 122 ALA CB C 122 21.900 22.852 -0.952 1 1 1172 . 3 1 1 A 122 122 ALA N N 122 123.400 124.908 -1.508 1 1 1173 . 3 1 1 A 123 123 TRP H H 123 8.740 9.416 -0.676 1 1 1174 . 3 1 1 A 123 123 TRP HA H 123 5.090 5.420 -0.330 1 1 1183 . 3 1 1 A 123 123 TRP CA C 123 56.700 56.479 0.221 1 1 1184 . 3 1 1 A 123 123 TRP CB C 123 33.300 33.310 -0.010 1 1 1190 . 3 1 1 A 123 123 TRP N N 123 118.700 120.617 -1.917 1 1 1192 . 3 1 1 A 124 124 ALA H H 124 9.570 9.355 0.215 1 1 1193 . 3 1 1 A 124 124 ALA HA H 124 5.360 5.394 -0.034 1 1 1197 . 3 1 1 A 124 124 ALA CA C 124 50.300 50.615 -0.315 1 1 1198 . 3 1 1 A 124 124 ALA CB C 124 22.600 20.680 1.920 1 1 1199 . 3 1 1 A 124 124 ALA N N 124 123.200 126.135 -2.935 1 1 1200 . 3 1 1 A 125 125 LEU H H 125 9.830 9.201 0.629 1 1 1201 . 3 1 1 A 125 125 LEU HA H 125 4.190 4.748 -0.558 1 1 1211 . 3 1 1 A 125 125 LEU CA C 125 54.700 54.300 0.400 1 1 1212 . 3 1 1 A 125 125 LEU CB C 125 44.000 43.471 0.529 1 1 1216 . 3 1 1 A 125 125 LEU N N 125 125.000 126.175 -1.175 1 1 1217 . 3 1 1 A 126 126 ALA H H 126 8.310 8.317 -0.007 1 1 1218 . 3 1 1 A 126 126 ALA HA H 126 4.460 4.549 -0.089 1 1 1222 . 3 1 1 A 126 126 ALA CA C 126 51.100 50.786 0.314 1 1 1223 . 3 1 1 A 126 126 ALA CB C 126 18.300 18.031 0.269 1 1 1224 . 3 1 1 A 126 126 ALA N N 126 127.000 130.104 -3.104 1 1 1225 . 3 1 1 A 127 127 PRO HA H 127 4.340 4.301 0.039 1 1 1232 . 3 1 1 A 127 127 PRO CA C 127 65.400 64.799 0.601 1 1 1233 . 3 1 1 A 127 127 PRO CB C 127 31.800 31.896 -0.096 1 1 1236 . 3 1 1 A 128 128 ASP H H 128 7.680 8.335 -0.655 1 1 1237 . 3 1 1 A 128 128 ASP HA H 128 4.550 4.474 0.076 1 1 1240 . 3 1 1 A 128 128 ASP CA C 128 52.900 56.781 -3.881 1 1 1241 . 3 1 1 A 128 128 ASP CB C 128 39.600 41.300 -1.700 1 1 1242 . 3 1 1 A 128 128 ASP N N 128 113.100 117.388 -4.288 1 1 1243 . 3 1 1 A 129 129 ARG H H 129 8.500 8.267 0.233 1 1 1244 . 3 1 1 A 129 129 ARG HA H 129 3.500 3.911 -0.411 1 1 1251 . 3 1 1 A 129 129 ARG CA C 129 57.600 57.126 0.474 1 1 1252 . 3 1 1 A 129 129 ARG CB C 129 26.900 29.104 -2.204 1 1 1255 . 3 1 1 A 129 129 ARG N N 129 113.100 118.980 -5.880 1 1 1256 . 3 1 1 A 130 130 SER H H 130 8.050 8.175 -0.125 1 1 1257 . 3 1 1 A 130 130 SER HA H 130 4.020 4.583 -0.563 1 1 1260 . 3 1 1 A 130 130 SER CA C 130 60.100 59.004 1.096 1 1 1261 . 3 1 1 A 130 130 SER CB C 130 63.600 63.770 -0.170 1 1 1262 . 3 1 1 A 130 130 SER N N 130 111.100 113.477 -2.377 1 1 1263 . 3 1 1 A 131 131 GLU H H 131 7.060 7.617 -0.557 1 1 1264 . 3 1 1 A 131 131 GLU HA H 131 4.420 4.481 -0.061 1 1 1269 . 3 1 1 A 131 131 GLU CA C 131 54.400 55.116 -0.716 1 1 1270 . 3 1 1 A 131 131 GLU CB C 131 31.800 31.529 0.271 1 1 1272 . 3 1 1 A 131 131 GLU N N 131 114.400 116.873 -2.473 1 1 1273 . 3 1 1 A 132 132 PHE H H 132 8.740 8.648 0.092 1 1 1274 . 3 1 1 A 132 132 PHE HA H 132 5.390 5.616 -0.226 1 1 1282 . 3 1 1 A 132 132 PHE CA C 132 57.200 56.672 0.528 1 1 1283 . 3 1 1 A 132 132 PHE CB C 132 42.900 41.741 1.159 1 1 1287 . 3 1 1 A 132 132 PHE N N 132 117.300 117.428 -0.128 1 1 1288 . 3 1 1 A 133 133 HIS H H 133 9.870 9.528 0.342 1 1 1289 . 3 1 1 A 133 133 HIS HA H 133 5.380 5.131 0.249 1 1 1294 . 3 1 1 A 133 133 HIS CA C 133 53.300 54.765 -1.465 1 1 1295 . 3 1 1 A 133 133 HIS CB C 133 32.700 32.744 -0.044 1 1 1298 . 3 1 1 A 133 133 HIS N N 133 117.900 118.557 -0.657 1 1 1299 . 3 1 1 A 134 134 ARG H H 134 9.080 8.725 0.355 1 1 1300 . 3 1 1 A 134 134 ARG HA H 134 3.500 3.842 -0.342 1 1 1307 . 3 1 1 A 134 134 ARG CA C 134 57.100 56.678 0.422 1 1 1308 . 3 1 1 A 134 134 ARG CB C 134 30.100 31.111 -1.011 1 1 1311 . 3 1 1 A 134 134 ARG N N 134 125.600 123.950 1.650 1 1 1312 . 3 1 1 A 135 135 GLU H H 135 8.410 8.361 0.049 1 1 1313 . 3 1 1 A 135 135 GLU HA H 135 4.550 5.054 -0.504 1 1 1318 . 3 1 1 A 135 135 GLU CA C 135 54.000 54.678 -0.678 1 1 1319 . 3 1 1 A 135 135 GLU CB C 135 33.000 33.611 -0.611 1 1 1321 . 3 1 1 A 135 135 GLU N N 135 128.500 126.077 2.423 1 1 1322 . 3 1 1 A 136 136 ASP H H 136 8.480 8.833 -0.353 1 1 1323 . 3 1 1 A 136 136 ASP HA H 136 4.460 5.060 -0.600 1 1 1326 . 3 1 1 A 136 136 ASP CA C 136 54.700 52.899 1.801 1 1 1327 . 3 1 1 A 136 136 ASP CB C 136 41.500 44.898 -3.398 1 1 1328 . 3 1 1 A 136 136 ASP N N 136 124.300 122.568 1.732 1 1 1329 . 3 1 1 A 137 137 ILE H H 137 8.340 8.521 -0.181 1 1 1330 . 3 1 1 A 137 137 ILE HA H 137 4.570 4.366 0.204 1 1 1340 . 3 1 1 A 137 137 ILE CA C 137 61.400 60.594 0.806 1 1 1341 . 3 1 1 A 137 137 ILE CB C 137 38.600 36.896 1.704 1 1 1345 . 3 1 1 A 137 137 ILE N N 137 121.100 120.734 0.366 1 1 1346 . 3 1 1 A 138 138 VAL H H 138 8.730 9.045 -0.315 1 1 1347 . 3 1 1 A 138 138 VAL HA H 138 4.570 4.914 -0.344 1 1 1355 . 3 1 1 A 138 138 VAL CA C 138 59.800 59.347 0.453 1 1 1356 . 3 1 1 A 138 138 VAL CB C 138 34.700 34.678 0.022 1 1 1359 . 3 1 1 A 138 138 VAL N N 138 125.100 122.294 2.806 1 1 1360 . 3 1 1 A 139 139 ARG H H 139 8.390 8.517 -0.127 1 1 1361 . 3 1 1 A 139 139 ARG HA H 139 5.210 4.828 0.382 1 1 1368 . 3 1 1 A 139 139 ARG CA C 139 53.500 52.373 1.127 1 1 1369 . 3 1 1 A 139 139 ARG CB C 139 30.100 30.715 -0.615 1 1 1372 . 3 1 1 A 139 139 ARG N N 139 122.800 123.834 -1.034 1 1 1373 . 3 1 1 A 140 140 PRO HA H 140 4.380 4.547 -0.167 1 1 1380 . 3 1 1 A 140 140 PRO CA C 140 62.400 62.643 -0.243 1 1 1381 . 3 1 1 A 140 140 PRO CB C 140 32.000 32.310 -0.310 1 1 1384 . 3 1 1 A 141 141 ASP H H 141 8.520 8.520 0.000 1 1 1385 . 3 1 1 A 141 141 ASP HA H 141 4.780 5.119 -0.339 1 1 1388 . 3 1 1 A 141 141 ASP CA C 141 54.500 51.249 3.251 1 1 1389 . 3 1 1 A 141 141 ASP CB C 141 40.600 41.311 -0.711 1 1 1390 . 3 1 1 A 141 141 ASP N N 141 122.200 121.502 0.698 1 1 1391 . 3 1 1 A 142 142 PRO HA H 142 4.380 4.362 0.018 1 1 1398 . 3 1 1 A 142 142 PRO CA C 142 63.500 63.785 -0.285 1 1 1399 . 3 1 1 A 142 142 PRO CB C 142 32.000 31.777 0.223 1 1 1402 . 3 1 1 A 143 143 GLU H H 143 8.460 8.742 -0.282 1 1 1403 . 3 1 1 A 143 143 GLU HA H 143 4.260 3.803 0.457 1 1 1408 . 3 1 1 A 143 143 GLU CA C 143 56.000 57.341 -1.341 1 1 1409 . 3 1 1 A 143 143 GLU CB C 143 30.000 28.145 1.855 1 1 1411 . 3 1 1 A 143 143 GLU N N 143 119.500 116.932 2.568 1 1 1412 . 3 1 1 A 144 144 ALA H H 144 8.030 7.360 0.670 1 1 1413 . 3 1 1 A 144 144 ALA HA H 144 4.590 4.463 0.127 1 1 1417 . 3 1 1 A 144 144 ALA CA C 144 50.300 49.113 1.187 1 1 1418 . 3 1 1 A 144 144 ALA CB C 144 18.300 19.512 -1.212 1 1 1419 . 3 1 1 A 144 144 ALA N N 144 125.800 121.463 4.337 1 1 1420 . 3 1 1 A 145 145 PRO HA H 145 4.400 4.639 -0.239 1 1 1427 . 3 1 1 A 145 145 PRO CA C 145 62.900 62.888 0.012 1 1 1428 . 3 1 1 A 145 145 PRO CB C 145 32.000 31.898 0.102 1 1 1431 . 3 1 1 A 146 146 LEU H H 146 8.330 8.834 -0.504 1 1 1432 . 3 1 1 A 146 146 LEU HA H 146 4.230 4.405 -0.175 1 1 1442 . 3 1 1 A 146 146 LEU CA C 146 55.100 55.806 -0.706 1 1 1443 . 3 1 1 A 146 146 LEU CB C 146 42.200 42.763 -0.563 1 1 1447 . 3 1 1 A 146 146 LEU N N 146 122.100 119.649 2.451 1 1 1448 . 3 1 1 A 147 147 GLU H H 147 8.300 7.985 0.315 1 1 1449 . 3 1 1 A 147 147 GLU HA H 147 4.220 4.544 -0.324 1 1 1454 . 3 1 1 A 147 147 GLU CA C 147 56.200 54.820 1.380 1 1 1455 . 3 1 1 A 147 147 GLU CB C 147 30.300 29.662 0.638 1 1 13 . 4 1 1 A 2 2 LYS H H 2 9.020 9.068 -0.048 1 1 14 . 4 1 1 A 2 2 LYS HA H 2 5.640 5.725 -0.085 1 1 23 . 4 1 1 A 2 2 LYS CA C 2 53.700 54.810 -1.110 1 1 24 . 4 1 1 A 2 2 LYS CB C 2 34.900 34.044 0.856 1 1 28 . 4 1 1 A 2 2 LYS N N 2 125.700 126.445 -0.745 1 1 29 . 4 1 1 A 3 3 THR H H 3 8.850 8.922 -0.072 1 1 30 . 4 1 1 A 3 3 THR HA H 3 4.660 4.716 -0.056 1 1 36 . 4 1 1 A 3 3 THR CA C 3 61.600 60.217 1.383 1 1 37 . 4 1 1 A 3 3 THR CB C 3 68.200 70.251 -2.051 1 1 39 . 4 1 1 A 3 3 THR N N 3 117.000 116.914 0.086 1 1 40 . 4 1 1 A 4 4 THR H H 4 8.100 8.377 -0.277 1 1 41 . 4 1 1 A 4 4 THR HA H 4 4.790 4.939 -0.149 1 1 46 . 4 1 1 A 4 4 THR CA C 4 58.500 59.397 -0.897 1 1 47 . 4 1 1 A 4 4 THR CB C 4 68.400 69.376 -0.976 1 1 49 . 4 1 1 A 4 4 THR N N 4 110.200 115.889 -5.689 1 1 50 . 4 1 1 A 5 5 PRO HA H 5 4.110 4.274 -0.164 1 1 57 . 4 1 1 A 5 5 PRO CA C 5 65.300 65.331 -0.031 1 1 58 . 4 1 1 A 5 5 PRO CB C 5 31.800 31.678 0.122 1 1 61 . 4 1 1 A 6 6 ASP H H 6 8.530 8.365 0.165 1 1 62 . 4 1 1 A 6 6 ASP HA H 6 4.350 4.406 -0.056 1 1 65 . 4 1 1 A 6 6 ASP CA C 6 56.300 57.016 -0.716 1 1 66 . 4 1 1 A 6 6 ASP CB C 6 39.500 41.544 -2.044 1 1 67 . 4 1 1 A 6 6 ASP N N 6 114.600 117.337 -2.737 1 1 68 . 4 1 1 A 7 7 ILE H H 7 7.270 7.985 -0.715 1 1 69 . 4 1 1 A 7 7 ILE HA H 7 3.620 3.631 -0.011 1 1 79 . 4 1 1 A 7 7 ILE CA C 7 61.900 65.450 -3.550 1 1 80 . 4 1 1 A 7 7 ILE CB C 7 34.900 37.590 -2.690 1 1 84 . 4 1 1 A 7 7 ILE N N 7 121.700 119.013 2.687 1 1 85 . 4 1 1 A 8 8 LEU H H 8 6.960 7.997 -1.037 1 1 86 . 4 1 1 A 8 8 LEU HA H 8 3.710 3.862 -0.152 1 1 96 . 4 1 1 A 8 8 LEU CA C 8 57.800 57.982 -0.182 1 1 97 . 4 1 1 A 8 8 LEU CB C 8 39.900 41.299 -1.399 1 1 101 . 4 1 1 A 8 8 LEU N N 8 117.200 119.823 -2.623 1 1 102 . 4 1 1 A 9 9 ASP H H 9 8.220 8.372 -0.152 1 1 103 . 4 1 1 A 9 9 ASP HA H 9 4.330 4.237 0.093 1 1 106 . 4 1 1 A 9 9 ASP CA C 9 57.600 57.901 -0.301 1 1 107 . 4 1 1 A 9 9 ASP CB C 9 40.100 41.142 -1.042 1 1 108 . 4 1 1 A 9 9 ASP N N 9 117.600 119.588 -1.988 1 1 109 . 4 1 1 A 10 10 GLN H H 10 7.630 7.740 -0.110 1 1 110 . 4 1 1 A 10 10 GLN HA H 10 3.850 4.037 -0.187 1 1 117 . 4 1 1 A 10 10 GLN CA C 10 59.200 58.611 0.589 1 1 118 . 4 1 1 A 10 10 GLN CB C 10 29.300 28.340 0.960 1 1 120 . 4 1 1 A 10 10 GLN N N 10 118.700 117.808 0.892 1 1 122 . 4 1 1 A 11 11 ILE H H 11 7.590 8.185 -0.595 1 1 123 . 4 1 1 A 11 11 ILE HA H 11 2.960 3.594 -0.634 1 1 133 . 4 1 1 A 11 11 ILE CA C 11 65.800 65.414 0.386 1 1 134 . 4 1 1 A 11 11 ILE CB C 11 37.500 37.567 -0.067 1 1 138 . 4 1 1 A 11 11 ILE N N 11 121.700 121.333 0.367 1 1 139 . 4 1 1 A 12 12 ARG H H 12 7.720 7.790 -0.070 1 1 140 . 4 1 1 A 12 12 ARG HA H 12 3.610 4.025 -0.415 1 1 147 . 4 1 1 A 12 12 ARG CA C 12 61.300 59.508 1.792 1 1 148 . 4 1 1 A 12 12 ARG CB C 12 30.100 30.130 -0.030 1 1 151 . 4 1 1 A 12 12 ARG N N 12 118.400 120.709 -2.309 1 1 152 . 4 1 1 A 13 13 VAL H H 13 8.480 7.833 0.647 1 1 153 . 4 1 1 A 13 13 VAL HA H 13 3.640 3.655 -0.015 1 1 161 . 4 1 1 A 13 13 VAL CA C 13 66.400 66.259 0.141 1 1 162 . 4 1 1 A 13 13 VAL CB C 13 31.600 31.412 0.188 1 1 165 . 4 1 1 A 13 13 VAL N N 13 118.400 120.158 -1.758 1 1 166 . 4 1 1 A 14 14 HIS H H 14 7.790 7.987 -0.197 1 1 167 . 4 1 1 A 14 14 HIS HA H 14 4.620 4.204 0.416 1 1 172 . 4 1 1 A 14 14 HIS CA C 14 57.500 58.538 -1.038 1 1 173 . 4 1 1 A 14 14 HIS CB C 14 31.100 29.085 2.015 1 1 176 . 4 1 1 A 14 14 HIS N N 14 119.600 119.048 0.552 1 1 177 . 4 1 1 A 15 15 GLY H H 15 8.290 8.319 -0.029 1 1 178 . 4 1 1 A 15 15 GLY HA2 H 15 3.400 3.246 0.154 1 1 179 . 4 1 1 A 15 15 GLY HA3 H 15 3.620 3.450 0.170 1 1 180 . 4 1 1 A 15 15 GLY CA C 15 47.800 46.870 0.930 1 1 181 . 4 1 1 A 15 15 GLY N N 15 104.200 107.777 -3.577 1 1 182 . 4 1 1 A 16 16 ALA H H 16 8.650 7.764 0.886 1 1 183 . 4 1 1 A 16 16 ALA HA H 16 3.940 3.825 0.115 1 1 187 . 4 1 1 A 16 16 ALA CA C 16 55.500 54.423 1.077 1 1 188 . 4 1 1 A 16 16 ALA CB C 16 18.600 18.443 0.157 1 1 189 . 4 1 1 A 16 16 ALA N N 16 125.700 124.653 1.047 1 1 190 . 4 1 1 A 17 17 ASP H H 17 9.020 8.586 0.434 1 1 191 . 4 1 1 A 17 17 ASP HA H 17 4.420 4.399 0.021 1 1 194 . 4 1 1 A 17 17 ASP CA C 17 56.700 56.907 -0.207 1 1 195 . 4 1 1 A 17 17 ASP CB C 17 41.300 41.599 -0.299 1 1 196 . 4 1 1 A 17 17 ASP N N 17 119.300 118.379 0.921 1 1 197 . 4 1 1 A 18 18 ALA H H 18 8.210 7.609 0.601 1 1 198 . 4 1 1 A 18 18 ALA HA H 18 4.180 4.259 -0.079 1 1 202 . 4 1 1 A 18 18 ALA CA C 18 53.100 54.654 -1.554 1 1 203 . 4 1 1 A 18 18 ALA CB C 18 19.000 19.306 -0.306 1 1 204 . 4 1 1 A 18 18 ALA N N 18 118.300 119.755 -1.455 1 1 205 . 4 1 1 A 19 19 TYR H H 19 7.080 7.271 -0.191 1 1 206 . 4 1 1 A 19 19 TYR HA H 19 4.190 4.655 -0.465 1 1 213 . 4 1 1 A 19 19 TYR CA C 19 58.300 57.480 0.820 1 1 214 . 4 1 1 A 19 19 TYR CB C 19 39.100 38.642 0.458 1 1 217 . 4 1 1 A 19 19 TYR N N 19 118.200 120.106 -1.906 1 1 218 . 4 1 1 A 20 20 PRO HA H 20 2.690 4.087 -1.397 1 1 225 . 4 1 1 A 20 20 PRO CA C 20 63.300 63.552 -0.252 1 1 226 . 4 1 1 A 20 20 PRO CB C 20 33.500 32.756 0.744 1 1 229 . 4 1 1 A 21 21 GLU H H 21 8.660 7.384 1.276 1 1 230 . 4 1 1 A 21 21 GLU HA H 21 4.420 4.368 0.052 1 1 235 . 4 1 1 A 21 21 GLU CA C 21 55.300 55.624 -0.324 1 1 236 . 4 1 1 A 21 21 GLU CB C 21 30.400 30.652 -0.252 1 1 238 . 4 1 1 A 21 21 GLU N N 21 124.800 120.692 4.108 1 1 239 . 4 1 1 A 22 22 GLU H H 22 8.290 9.061 -0.771 1 1 240 . 4 1 1 A 22 22 GLU HA H 22 3.990 4.244 -0.254 1 1 245 . 4 1 1 A 22 22 GLU CA C 22 56.400 57.118 -0.718 1 1 246 . 4 1 1 A 22 22 GLU CB C 22 30.900 29.628 1.272 1 1 248 . 4 1 1 A 22 22 GLU N N 22 119.700 121.465 -1.765 1 1 249 . 4 1 1 A 23 23 GLY H H 23 8.770 8.840 -0.070 1 1 250 . 4 1 1 A 23 23 GLY HA2 H 23 2.430 4.092 -1.662 1 1 251 . 4 1 1 A 23 23 GLY HA3 H 23 4.270 4.204 0.066 1 1 252 . 4 1 1 A 23 23 GLY CA C 23 42.900 45.529 -2.629 1 1 253 . 4 1 1 A 23 23 GLY N N 23 112.400 108.087 4.313 1 1 254 . 4 1 1 A 24 24 CYS H H 24 8.580 7.666 0.914 1 1 255 . 4 1 1 A 24 24 CYS HA H 24 4.630 4.671 -0.041 1 1 258 . 4 1 1 A 24 24 CYS CA C 24 54.900 56.831 -1.931 1 1 259 . 4 1 1 A 24 24 CYS CB C 24 31.300 30.489 0.811 1 1 260 . 4 1 1 A 24 24 CYS N N 24 118.100 118.534 -0.434 1 1 261 . 4 1 1 A 25 25 GLY H H 25 6.730 7.004 -0.274 1 1 262 . 4 1 1 A 25 25 GLY HA2 H 25 3.650 3.360 0.290 1 1 263 . 4 1 1 A 25 25 GLY HA3 H 25 4.030 3.578 0.452 1 1 264 . 4 1 1 A 25 25 GLY CA C 25 45.900 45.055 0.845 1 1 265 . 4 1 1 A 25 25 GLY N N 25 104.600 106.405 -1.805 1 1 266 . 4 1 1 A 26 26 PHE H H 26 9.350 8.069 1.281 1 1 267 . 4 1 1 A 26 26 PHE HA H 26 5.130 5.059 0.071 1 1 275 . 4 1 1 A 26 26 PHE CA C 26 56.900 56.837 0.063 1 1 276 . 4 1 1 A 26 26 PHE CB C 26 43.300 42.205 1.095 1 1 280 . 4 1 1 A 26 26 PHE N N 26 114.900 119.018 -4.118 1 1 281 . 4 1 1 A 27 27 LEU H H 27 8.320 9.560 -1.240 1 1 282 . 4 1 1 A 27 27 LEU HA H 27 4.590 5.079 -0.489 1 1 292 . 4 1 1 A 27 27 LEU CA C 27 52.900 53.826 -0.926 1 1 293 . 4 1 1 A 27 27 LEU CB C 27 41.200 43.094 -1.894 1 1 297 . 4 1 1 A 27 27 LEU N N 27 119.100 122.951 -3.851 1 1 298 . 4 1 1 A 28 28 LEU H H 28 9.050 9.236 -0.186 1 1 299 . 4 1 1 A 28 28 LEU HA H 28 5.390 5.309 0.081 1 1 309 . 4 1 1 A 28 28 LEU CA C 28 51.900 53.181 -1.281 1 1 310 . 4 1 1 A 28 28 LEU CB C 28 42.900 43.740 -0.840 1 1 314 . 4 1 1 A 28 28 LEU N N 28 123.500 124.756 -1.256 1 1 315 . 4 1 1 A 29 29 GLY H H 29 9.950 8.511 1.439 1 1 316 . 4 1 1 A 29 29 GLY HA2 H 29 5.270 4.282 0.988 1 1 317 . 4 1 1 A 29 29 GLY HA3 H 29 3.900 4.284 -0.384 1 1 318 . 4 1 1 A 29 29 GLY CA C 29 46.700 46.199 0.501 1 1 319 . 4 1 1 A 29 29 GLY N N 29 112.400 110.243 2.157 1 1 320 . 4 1 1 A 30 30 THR H H 30 8.810 8.606 0.204 1 1 321 . 4 1 1 A 30 30 THR HA H 30 4.810 5.349 -0.539 1 1 326 . 4 1 1 A 30 30 THR CA C 30 59.900 59.796 0.104 1 1 327 . 4 1 1 A 30 30 THR CB C 30 72.200 72.215 -0.015 1 1 329 . 4 1 1 A 30 30 THR N N 30 116.000 116.286 -0.286 1 1 330 . 4 1 1 A 31 31 VAL H H 31 8.530 8.793 -0.263 1 1 331 . 4 1 1 A 31 31 VAL HA H 31 4.830 4.404 0.426 1 1 339 . 4 1 1 A 31 31 VAL CA C 31 61.900 62.187 -0.287 1 1 340 . 4 1 1 A 31 31 VAL CB C 31 32.200 31.899 0.301 1 1 343 . 4 1 1 A 31 31 VAL N N 31 124.200 122.531 1.669 1 1 344 . 4 1 1 A 32 32 THR H H 32 9.040 8.664 0.376 1 1 345 . 4 1 1 A 32 32 THR HA H 32 4.580 4.383 0.197 1 1 350 . 4 1 1 A 32 32 THR CA C 32 61.200 62.626 -1.426 1 1 351 . 4 1 1 A 32 32 THR CB C 32 70.700 68.910 1.790 1 1 353 . 4 1 1 A 32 32 THR N N 32 118.900 121.891 -2.991 1 1 354 . 4 1 1 A 33 33 ASP H H 33 8.980 9.283 -0.303 1 1 355 . 4 1 1 A 33 33 ASP HA H 33 4.400 4.317 0.083 1 1 358 . 4 1 1 A 33 33 ASP CA C 33 56.800 55.319 1.481 1 1 359 . 4 1 1 A 33 33 ASP CB C 33 40.100 40.101 -0.001 1 1 360 . 4 1 1 A 33 33 ASP N N 33 121.100 129.298 -8.198 1 1 361 . 4 1 1 A 34 34 ASP H H 34 7.960 8.470 -0.510 1 1 362 . 4 1 1 A 34 34 ASP HA H 34 4.640 4.309 0.331 1 1 365 . 4 1 1 A 34 34 ASP CA C 34 53.500 55.471 -1.971 1 1 366 . 4 1 1 A 34 34 ASP CB C 34 40.400 40.521 -0.121 1 1 367 . 4 1 1 A 34 34 ASP N N 34 115.400 117.568 -2.168 1 1 368 . 4 1 1 A 35 35 GLY H H 35 8.080 8.477 -0.397 1 1 369 . 4 1 1 A 35 35 GLY HA2 H 35 3.590 3.922 -0.332 1 1 370 . 4 1 1 A 35 35 GLY HA3 H 35 4.200 3.927 0.273 1 1 371 . 4 1 1 A 35 35 GLY CA C 35 45.400 45.558 -0.158 1 1 372 . 4 1 1 A 35 35 GLY N N 35 108.400 106.898 1.502 1 1 373 . 4 1 1 A 36 36 ASP H H 36 7.690 7.263 0.427 1 1 374 . 4 1 1 A 36 36 ASP HA H 36 4.790 4.971 -0.181 1 1 377 . 4 1 1 A 36 36 ASP CA C 36 51.900 53.364 -1.464 1 1 378 . 4 1 1 A 36 36 ASP CB C 36 42.300 43.940 -1.640 1 1 379 . 4 1 1 A 36 36 ASP N N 36 120.100 118.294 1.806 1 1 380 . 4 1 1 A 37 37 ASN H H 37 8.920 8.495 0.425 1 1 381 . 4 1 1 A 37 37 ASN HA H 37 5.180 5.214 -0.034 1 1 386 . 4 1 1 A 37 37 ASN CA C 37 52.900 52.796 0.104 1 1 387 . 4 1 1 A 37 37 ASN CB C 37 38.800 39.731 -0.931 1 1 388 . 4 1 1 A 37 37 ASN N N 37 119.000 119.053 -0.053 1 1 390 . 4 1 1 A 38 38 ARG H H 38 9.480 9.248 0.232 1 1 391 . 4 1 1 A 38 38 ARG HA H 38 5.310 5.046 0.264 1 1 398 . 4 1 1 A 38 38 ARG CA C 38 53.500 54.800 -1.300 1 1 399 . 4 1 1 A 38 38 ARG CB C 38 31.000 31.634 -0.634 1 1 402 . 4 1 1 A 38 38 ARG N N 38 126.900 123.977 2.923 1 1 403 . 4 1 1 A 39 39 VAL H H 39 8.810 8.625 0.185 1 1 404 . 4 1 1 A 39 39 VAL HA H 39 4.150 4.249 -0.099 1 1 412 . 4 1 1 A 39 39 VAL CA C 39 62.800 62.460 0.340 1 1 413 . 4 1 1 A 39 39 VAL CB C 39 33.100 31.966 1.134 1 1 416 . 4 1 1 A 39 39 VAL N N 39 125.700 127.581 -1.881 1 1 417 . 4 1 1 A 40 40 ALA H H 40 9.680 8.418 1.262 1 1 418 . 4 1 1 A 40 40 ALA HA H 40 4.690 4.559 0.131 1 1 422 . 4 1 1 A 40 40 ALA CA C 40 51.300 52.503 -1.203 1 1 423 . 4 1 1 A 40 40 ALA CB C 40 22.700 20.775 1.925 1 1 424 . 4 1 1 A 40 40 ALA N N 40 102.300 129.792 -27.492 1 1 425 . 4 1 1 A 41 41 ALA H H 41 8.370 7.919 0.451 1 1 426 . 4 1 1 A 41 41 ALA HA H 41 4.530 4.897 -0.367 1 1 430 . 4 1 1 A 41 41 ALA CA C 41 51.700 50.418 1.282 1 1 431 . 4 1 1 A 41 41 ALA CB C 41 22.200 22.808 -0.608 1 1 432 . 4 1 1 A 41 41 ALA N N 41 120.200 118.896 1.304 1 1 433 . 4 1 1 A 42 42 LEU H H 42 8.690 8.782 -0.092 1 1 434 . 4 1 1 A 42 42 LEU HA H 42 5.320 5.252 0.068 1 1 444 . 4 1 1 A 42 42 LEU CA C 42 53.500 53.872 -0.372 1 1 445 . 4 1 1 A 42 42 LEU CB C 42 46.300 43.767 2.533 1 1 449 . 4 1 1 A 42 42 LEU N N 42 118.300 121.351 -3.051 1 1 450 . 4 1 1 A 43 43 HIS H H 43 8.820 8.985 -0.165 1 1 451 . 4 1 1 A 43 43 HIS HA H 43 4.870 5.387 -0.517 1 1 456 . 4 1 1 A 43 43 HIS CA C 43 56.300 53.740 2.560 1 1 457 . 4 1 1 A 43 43 HIS CB C 43 34.200 32.775 1.425 1 1 460 . 4 1 1 A 43 43 HIS N N 43 120.700 124.746 -4.046 1 1 461 . 4 1 1 A 44 44 ARG H H 44 8.580 8.683 -0.103 1 1 462 . 4 1 1 A 44 44 ARG HA H 44 4.420 5.208 -0.788 1 1 469 . 4 1 1 A 44 44 ARG CA C 44 57.400 55.504 1.896 1 1 470 . 4 1 1 A 44 44 ARG CB C 44 31.100 30.964 0.136 1 1 473 . 4 1 1 A 44 44 ARG N N 44 128.300 126.017 2.283 1 1 474 . 4 1 1 A 45 45 ALA H H 45 8.580 8.084 0.496 1 1 475 . 4 1 1 A 45 45 ALA HA H 45 4.720 4.353 0.367 1 1 479 . 4 1 1 A 45 45 ALA CA C 45 51.500 52.308 -0.808 1 1 480 . 4 1 1 A 45 45 ALA CB C 45 20.200 18.542 1.658 1 1 481 . 4 1 1 A 45 45 ALA N N 45 125.700 126.225 -0.525 1 1 482 . 4 1 1 A 46 46 THR H H 46 8.250 8.956 -0.706 1 1 483 . 4 1 1 A 46 46 THR HA H 46 4.270 4.928 -0.658 1 1 488 . 4 1 1 A 46 46 THR CA C 46 62.000 61.889 0.111 1 1 489 . 4 1 1 A 46 46 THR CB C 46 69.900 71.201 -1.301 1 1 491 . 4 1 1 A 46 46 THR N N 46 115.500 118.851 -3.351 1 1 492 . 4 1 1 A 47 47 ASN H H 47 8.590 9.063 -0.473 1 1 493 . 4 1 1 A 47 47 ASN HA H 47 4.620 5.397 -0.777 1 1 498 . 4 1 1 A 47 47 ASN CA C 47 53.400 52.238 1.162 1 1 499 . 4 1 1 A 47 47 ASN CB C 47 38.400 39.833 -1.433 1 1 500 . 4 1 1 A 47 47 ASN N N 47 122.400 125.428 -3.028 1 1 502 . 4 1 1 A 50 50 SER H H 50 8.480 8.888 -0.408 1 1 503 . 4 1 1 A 50 50 SER HA H 50 4.400 4.882 -0.482 1 1 506 . 4 1 1 A 50 50 SER CA C 50 58.900 57.934 0.966 1 1 507 . 4 1 1 A 50 50 SER CB C 50 63.600 63.579 0.021 1 1 508 . 4 1 1 A 50 50 SER N N 50 116.600 121.026 -4.426 1 1 509 . 4 1 1 A 51 51 GLU H H 51 8.510 8.387 0.123 1 1 510 . 4 1 1 A 51 51 GLU HA H 51 4.300 4.144 0.156 1 1 515 . 4 1 1 A 51 51 GLU CA C 51 56.800 57.130 -0.330 1 1 516 . 4 1 1 A 51 51 GLU CB C 51 29.900 29.834 0.066 1 1 518 . 4 1 1 A 51 51 GLU N N 51 121.800 124.150 -2.350 1 1 519 . 4 1 1 A 52 52 GLN H H 52 8.300 8.806 -0.506 1 1 520 . 4 1 1 A 52 52 GLN HA H 52 4.310 4.324 -0.014 1 1 527 . 4 1 1 A 52 52 GLN CA C 52 55.900 55.847 0.053 1 1 528 . 4 1 1 A 52 52 GLN CB C 52 29.000 29.177 -0.177 1 1 530 . 4 1 1 A 52 52 GLN N N 52 119.500 125.712 -6.212 1 1 532 . 4 1 1 A 53 53 ARG H H 53 8.350 8.697 -0.347 1 1 533 . 4 1 1 A 53 53 ARG HA H 53 4.310 4.183 0.127 1 1 540 . 4 1 1 A 53 53 ARG CA C 53 56.800 58.108 -1.308 1 1 541 . 4 1 1 A 53 53 ARG CB C 53 30.700 30.748 -0.048 1 1 544 . 4 1 1 A 53 53 ARG N N 53 121.000 124.264 -3.264 1 1 545 . 4 1 1 A 54 54 THR H H 54 8.140 7.441 0.699 1 1 546 . 4 1 1 A 54 54 THR HA H 54 4.340 4.400 -0.060 1 1 551 . 4 1 1 A 54 54 THR CA C 54 61.900 61.304 0.596 1 1 552 . 4 1 1 A 54 54 THR CB C 54 69.600 69.946 -0.346 1 1 554 . 4 1 1 A 54 54 THR N N 54 113.100 109.153 3.947 1 1 555 . 4 1 1 A 64 64 TYR H H 64 8.220 8.019 0.201 1 1 556 . 4 1 1 A 64 64 TYR HA H 64 3.360 3.796 -0.436 1 1 563 . 4 1 1 A 64 64 TYR CA C 64 61.600 61.585 0.015 1 1 564 . 4 1 1 A 64 64 TYR CB C 64 37.700 38.544 -0.844 1 1 567 . 4 1 1 A 64 64 TYR N N 64 120.700 121.572 -0.872 1 1 568 . 4 1 1 A 65 65 ARG H H 65 8.340 8.108 0.232 1 1 569 . 4 1 1 A 65 65 ARG HA H 65 3.930 3.697 0.233 1 1 576 . 4 1 1 A 65 65 ARG CA C 65 59.600 59.655 -0.055 1 1 577 . 4 1 1 A 65 65 ARG CB C 65 30.100 29.956 0.144 1 1 580 . 4 1 1 A 65 65 ARG N N 65 119.200 118.145 1.055 1 1 581 . 4 1 1 A 66 66 ALA H H 66 7.790 7.977 -0.187 1 1 582 . 4 1 1 A 66 66 ALA HA H 66 4.090 4.116 -0.026 1 1 586 . 4 1 1 A 66 66 ALA CA C 66 54.700 54.838 -0.138 1 1 587 . 4 1 1 A 66 66 ALA CB C 66 18.100 18.167 -0.067 1 1 588 . 4 1 1 A 66 66 ALA N N 66 121.900 122.051 -0.151 1 1 589 . 4 1 1 A 67 67 ALA H H 67 7.550 7.581 -0.031 1 1 590 . 4 1 1 A 67 67 ALA HA H 67 2.940 3.340 -0.400 1 1 594 . 4 1 1 A 67 67 ALA CA C 67 54.300 54.694 -0.394 1 1 595 . 4 1 1 A 67 67 ALA CB C 67 18.000 17.302 0.698 1 1 596 . 4 1 1 A 67 67 ALA N N 67 123.000 120.386 2.614 1 1 597 . 4 1 1 A 68 68 ASP H H 68 8.320 8.549 -0.229 1 1 598 . 4 1 1 A 68 68 ASP HA H 68 4.100 4.020 0.080 1 1 601 . 4 1 1 A 68 68 ASP CA C 68 56.800 56.788 0.012 1 1 602 . 4 1 1 A 68 68 ASP CB C 68 41.400 41.111 0.289 1 1 603 . 4 1 1 A 68 68 ASP N N 68 118.100 117.978 0.122 1 1 604 . 4 1 1 A 69 69 ALA H H 69 7.790 8.217 -0.427 1 1 605 . 4 1 1 A 69 69 ALA HA H 69 4.010 4.000 0.010 1 1 609 . 4 1 1 A 69 69 ALA CA C 69 55.000 55.018 -0.018 1 1 610 . 4 1 1 A 69 69 ALA CB C 69 17.600 18.169 -0.569 1 1 611 . 4 1 1 A 69 69 ALA N N 69 121.200 120.351 0.849 1 1 612 . 4 1 1 A 70 70 ALA H H 70 7.490 7.776 -0.286 1 1 613 . 4 1 1 A 70 70 ALA HA H 70 4.070 4.056 0.014 1 1 617 . 4 1 1 A 70 70 ALA CA C 70 54.500 54.842 -0.342 1 1 618 . 4 1 1 A 70 70 ALA CB C 70 17.900 18.401 -0.501 1 1 619 . 4 1 1 A 70 70 ALA N N 70 121.200 119.980 1.220 1 1 620 . 4 1 1 A 71 71 ALA H H 71 8.620 8.277 0.343 1 1 621 . 4 1 1 A 71 71 ALA HA H 71 3.660 3.953 -0.293 1 1 625 . 4 1 1 A 71 71 ALA CA C 71 55.300 55.343 -0.043 1 1 626 . 4 1 1 A 71 71 ALA CB C 71 17.800 18.096 -0.296 1 1 627 . 4 1 1 A 71 71 ALA N N 71 121.600 120.447 1.153 1 1 628 . 4 1 1 A 72 72 GLN H H 72 8.700 8.231 0.469 1 1 629 . 4 1 1 A 72 72 GLN HA H 72 4.080 3.962 0.118 1 1 636 . 4 1 1 A 72 72 GLN CA C 72 59.000 58.976 0.024 1 1 637 . 4 1 1 A 72 72 GLN CB C 72 28.000 28.470 -0.470 1 1 639 . 4 1 1 A 72 72 GLN N N 72 118.600 116.989 1.611 1 1 641 . 4 1 1 A 73 73 GLU H H 73 7.640 8.396 -0.756 1 1 642 . 4 1 1 A 73 73 GLU HA H 73 4.080 4.054 0.026 1 1 647 . 4 1 1 A 73 73 GLU CA C 73 58.800 59.149 -0.349 1 1 648 . 4 1 1 A 73 73 GLU CB C 73 29.600 29.378 0.222 1 1 650 . 4 1 1 A 73 73 GLU N N 73 119.000 120.361 -1.361 1 1 651 . 4 1 1 A 74 74 GLN H H 74 7.400 7.902 -0.502 1 1 652 . 4 1 1 A 74 74 GLN HA H 74 4.470 4.352 0.118 1 1 659 . 4 1 1 A 74 74 GLN CA C 74 55.000 55.429 -0.429 1 1 660 . 4 1 1 A 74 74 GLN CB C 74 30.900 29.254 1.646 1 1 662 . 4 1 1 A 74 74 GLN N N 74 114.600 116.510 -1.910 1 1 664 . 4 1 1 A 75 75 GLY H H 75 7.830 8.234 -0.404 1 1 665 . 4 1 1 A 75 75 GLY HA2 H 75 3.950 3.946 0.004 1 1 666 . 4 1 1 A 75 75 GLY HA3 H 75 3.870 3.950 -0.080 1 1 667 . 4 1 1 A 75 75 GLY CA C 75 46.500 46.500 0.000 1 1 668 . 4 1 1 A 75 75 GLY N N 75 109.300 109.433 -0.133 1 1 669 . 4 1 1 A 76 76 LEU H H 76 8.110 8.289 -0.179 1 1 670 . 4 1 1 A 76 76 LEU HA H 76 4.650 4.944 -0.294 1 1 680 . 4 1 1 A 76 76 LEU CA C 76 52.500 53.062 -0.562 1 1 681 . 4 1 1 A 76 76 LEU CB C 76 45.700 45.551 0.149 1 1 685 . 4 1 1 A 76 76 LEU N N 76 119.300 119.802 -0.502 1 1 686 . 4 1 1 A 77 77 ASP H H 77 8.990 9.573 -0.583 1 1 687 . 4 1 1 A 77 77 ASP HA H 77 5.120 5.109 0.011 1 1 690 . 4 1 1 A 77 77 ASP CA C 77 52.600 52.538 0.062 1 1 691 . 4 1 1 A 77 77 ASP CB C 77 44.600 43.837 0.763 1 1 692 . 4 1 1 A 77 77 ASP N N 77 117.600 118.438 -0.838 1 1 693 . 4 1 1 A 78 78 VAL H H 78 9.070 8.986 0.084 1 1 694 . 4 1 1 A 78 78 VAL HA H 78 4.090 4.069 0.021 1 1 702 . 4 1 1 A 78 78 VAL CA C 78 63.900 63.086 0.814 1 1 703 . 4 1 1 A 78 78 VAL CB C 78 30.900 31.200 -0.300 1 1 706 . 4 1 1 A 78 78 VAL N N 78 121.900 120.390 1.510 1 1 707 . 4 1 1 A 79 79 VAL H H 79 8.360 8.785 -0.425 1 1 708 . 4 1 1 A 79 79 VAL HA H 79 4.300 4.331 -0.031 1 1 716 . 4 1 1 A 79 79 VAL CA C 79 59.500 61.966 -2.466 1 1 717 . 4 1 1 A 79 79 VAL CB C 79 32.600 32.694 -0.094 1 1 720 . 4 1 1 A 79 79 VAL N N 79 116.700 121.355 -4.655 1 1 721 . 4 1 1 A 80 80 GLY H H 80 6.970 7.195 -0.225 1 1 722 . 4 1 1 A 80 80 GLY HA2 H 80 4.380 4.123 0.257 1 1 723 . 4 1 1 A 80 80 GLY HA3 H 80 3.550 4.232 -0.682 1 1 724 . 4 1 1 A 80 80 GLY CA C 80 46.900 45.940 0.960 1 1 725 . 4 1 1 A 80 80 GLY N N 80 106.200 109.035 -2.835 1 1 726 . 4 1 1 A 81 81 VAL H H 81 8.510 8.529 -0.019 1 1 727 . 4 1 1 A 81 81 VAL HA H 81 4.900 4.798 0.102 1 1 735 . 4 1 1 A 81 81 VAL CA C 81 59.400 60.337 -0.937 1 1 736 . 4 1 1 A 81 81 VAL CB C 81 37.600 35.626 1.974 1 1 739 . 4 1 1 A 81 81 VAL N N 81 116.200 119.146 -2.946 1 1 740 . 4 1 1 A 82 82 TYR H H 82 8.370 8.638 -0.268 1 1 741 . 4 1 1 A 82 82 TYR HA H 82 6.000 6.144 -0.144 1 1 748 . 4 1 1 A 82 82 TYR CA C 82 54.900 55.304 -0.404 1 1 749 . 4 1 1 A 82 82 TYR CB C 82 42.800 42.068 0.732 1 1 752 . 4 1 1 A 82 82 TYR N N 82 118.100 121.108 -3.008 1 1 753 . 4 1 1 A 83 83 HIS H H 83 8.520 9.302 -0.782 1 1 754 . 4 1 1 A 83 83 HIS HA H 83 5.150 5.182 -0.032 1 1 759 . 4 1 1 A 83 83 HIS CA C 83 54.900 54.438 0.462 1 1 760 . 4 1 1 A 83 83 HIS CB C 83 33.200 32.970 0.230 1 1 763 . 4 1 1 A 83 83 HIS N N 83 115.400 118.630 -3.230 1 1 764 . 4 1 1 A 84 84 SER H H 84 9.060 9.242 -0.182 1 1 765 . 4 1 1 A 84 84 SER HA H 84 5.590 5.348 0.242 1 1 768 . 4 1 1 A 84 84 SER CA C 84 55.800 57.890 -2.090 1 1 769 . 4 1 1 A 84 84 SER CB C 84 65.500 64.665 0.835 1 1 770 . 4 1 1 A 84 84 SER N N 84 117.100 120.886 -3.786 1 1 771 . 4 1 1 A 85 85 HIS H H 85 8.980 9.171 -0.191 1 1 772 . 4 1 1 A 85 85 HIS HA H 85 4.830 5.017 -0.187 1 1 777 . 4 1 1 A 85 85 HIS CA C 85 50.400 54.025 -3.625 1 1 778 . 4 1 1 A 85 85 HIS CB C 85 32.000 30.804 1.196 1 1 781 . 4 1 1 A 85 85 HIS N N 85 117.600 124.581 -6.981 1 1 782 . 4 1 1 A 86 86 PRO HA H 86 5.080 5.075 0.005 1 1 789 . 4 1 1 A 86 86 PRO CA C 86 62.400 62.925 -0.525 1 1 790 . 4 1 1 A 86 86 PRO CB C 86 32.400 30.729 1.671 1 1 793 . 4 1 1 A 87 87 ASP H H 87 10.300 9.107 1.193 1 1 794 . 4 1 1 A 87 87 ASP HA H 87 4.320 4.354 -0.034 1 1 797 . 4 1 1 A 87 87 ASP CA C 87 56.600 54.536 2.064 1 1 798 . 4 1 1 A 87 87 ASP CB C 87 39.600 40.593 -0.993 1 1 799 . 4 1 1 A 87 87 ASP N N 87 123.100 124.572 -1.472 1 1 800 . 4 1 1 A 88 88 HIS H H 88 7.500 8.558 -1.058 1 1 801 . 4 1 1 A 88 88 HIS HA H 88 5.050 4.591 0.459 1 1 806 . 4 1 1 A 88 88 HIS CA C 88 54.700 57.059 -2.359 1 1 807 . 4 1 1 A 88 88 HIS CB C 88 32.400 28.567 3.833 1 1 810 . 4 1 1 A 88 88 HIS N N 88 115.000 117.700 -2.700 1 1 811 . 4 1 1 A 89 89 PRO HA H 89 4.370 4.482 -0.112 1 1 818 . 4 1 1 A 89 89 PRO CA C 89 62.700 63.200 -0.500 1 1 819 . 4 1 1 A 89 89 PRO CB C 89 31.600 32.432 -0.832 1 1 822 . 4 1 1 A 90 90 ALA H H 90 8.020 8.460 -0.440 1 1 823 . 4 1 1 A 90 90 ALA HA H 90 4.290 4.523 -0.233 1 1 827 . 4 1 1 A 90 90 ALA CA C 90 50.800 51.884 -1.084 1 1 828 . 4 1 1 A 90 90 ALA CB C 90 16.600 19.046 -2.446 1 1 829 . 4 1 1 A 90 90 ALA N N 90 125.800 121.963 3.837 1 1 830 . 4 1 1 A 91 91 ARG H H 91 7.990 7.489 0.501 1 1 831 . 4 1 1 A 91 91 ARG HA H 91 4.300 4.672 -0.372 1 1 838 . 4 1 1 A 91 91 ARG CA C 91 53.100 53.596 -0.496 1 1 839 . 4 1 1 A 91 91 ARG CB C 91 31.800 32.211 -0.411 1 1 842 . 4 1 1 A 91 91 ARG N N 91 121.900 116.638 5.262 1 1 843 . 4 1 1 A 92 92 PRO HA H 92 4.070 4.274 -0.204 1 1 850 . 4 1 1 A 92 92 PRO CA C 92 62.300 62.699 -0.399 1 1 851 . 4 1 1 A 92 92 PRO CB C 92 32.500 31.297 1.203 1 1 854 . 4 1 1 A 93 93 SER H H 93 9.960 8.873 1.087 1 1 855 . 4 1 1 A 93 93 SER HA H 93 4.630 4.566 0.064 1 1 858 . 4 1 1 A 93 93 SER CA C 93 56.300 56.136 0.164 1 1 859 . 4 1 1 A 93 93 SER CB C 93 66.500 65.337 1.163 1 1 860 . 4 1 1 A 93 93 SER N N 93 121.800 117.319 4.481 1 1 861 . 4 1 1 A 94 94 ALA H H 94 8.880 8.874 0.006 1 1 862 . 4 1 1 A 94 94 ALA HA H 94 4.130 3.998 0.132 1 1 866 . 4 1 1 A 94 94 ALA CA C 94 55.400 55.632 -0.232 1 1 867 . 4 1 1 A 94 94 ALA CB C 94 18.000 18.012 -0.012 1 1 868 . 4 1 1 A 94 94 ALA N N 94 123.100 126.582 -3.482 1 1 869 . 4 1 1 A 95 95 THR H H 95 7.870 7.922 -0.052 1 1 870 . 4 1 1 A 95 95 THR HA H 95 3.920 3.895 0.025 1 1 875 . 4 1 1 A 95 95 THR CA C 95 65.700 67.043 -1.343 1 1 876 . 4 1 1 A 95 95 THR CB C 95 68.400 68.188 0.212 1 1 878 . 4 1 1 A 95 95 THR N N 95 114.300 114.657 -0.357 1 1 879 . 4 1 1 A 96 96 ASP H H 96 7.420 7.970 -0.550 1 1 880 . 4 1 1 A 96 96 ASP HA H 96 4.230 4.171 0.059 1 1 883 . 4 1 1 A 96 96 ASP CA C 96 57.400 57.109 0.291 1 1 884 . 4 1 1 A 96 96 ASP CB C 96 40.100 40.491 -0.391 1 1 885 . 4 1 1 A 96 96 ASP N N 96 121.000 121.486 -0.486 1 1 886 . 4 1 1 A 97 97 LEU H H 97 7.490 7.929 -0.439 1 1 887 . 4 1 1 A 97 97 LEU HA H 97 4.000 4.325 -0.325 1 1 897 . 4 1 1 A 97 97 LEU CA C 97 57.600 57.876 -0.276 1 1 898 . 4 1 1 A 97 97 LEU CB C 97 41.400 41.635 -0.235 1 1 902 . 4 1 1 A 97 97 LEU N N 97 118.900 120.175 -1.275 1 1 903 . 4 1 1 A 98 98 GLU H H 98 7.690 8.553 -0.863 1 1 904 . 4 1 1 A 98 98 GLU HA H 98 3.900 4.033 -0.133 1 1 909 . 4 1 1 A 98 98 GLU CA C 98 58.700 59.496 -0.796 1 1 910 . 4 1 1 A 98 98 GLU CB C 98 29.600 29.406 0.194 1 1 912 . 4 1 1 A 98 98 GLU N N 98 119.100 118.722 0.378 1 1 913 . 4 1 1 A 99 99 GLU H H 99 7.500 7.853 -0.353 1 1 914 . 4 1 1 A 99 99 GLU HA H 99 4.200 4.389 -0.189 1 1 919 . 4 1 1 A 99 99 GLU CA C 99 56.100 56.335 -0.235 1 1 920 . 4 1 1 A 99 99 GLU CB C 99 30.000 30.488 -0.488 1 1 922 . 4 1 1 A 99 99 GLU N N 99 114.300 116.669 -2.369 1 1 923 . 4 1 1 A 100 100 ALA H H 100 7.400 7.478 -0.078 1 1 924 . 4 1 1 A 100 100 ALA HA H 100 4.620 4.709 -0.089 1 1 928 . 4 1 1 A 100 100 ALA CA C 100 52.000 51.654 0.346 1 1 929 . 4 1 1 A 100 100 ALA CB C 100 18.100 17.313 0.787 1 1 930 . 4 1 1 A 100 100 ALA N N 100 125.900 124.582 1.318 1 1 931 . 4 1 1 A 101 101 THR H H 101 7.790 8.360 -0.570 1 1 932 . 4 1 1 A 101 101 THR HA H 101 4.050 4.414 -0.364 1 1 937 . 4 1 1 A 101 101 THR CA C 101 61.200 62.679 -1.479 1 1 938 . 4 1 1 A 101 101 THR CB C 101 68.900 68.912 -0.012 1 1 940 . 4 1 1 A 101 101 THR N N 101 111.700 115.826 -4.126 1 1 941 . 4 1 1 A 102 102 PHE H H 102 7.320 7.560 -0.240 1 1 942 . 4 1 1 A 102 102 PHE HA H 102 4.750 4.945 -0.195 1 1 950 . 4 1 1 A 102 102 PHE CA C 102 54.300 55.172 -0.872 1 1 951 . 4 1 1 A 102 102 PHE CB C 102 38.200 38.743 -0.543 1 1 955 . 4 1 1 A 102 102 PHE N N 102 120.200 121.553 -1.353 1 1 956 . 4 1 1 A 103 103 PRO HA H 103 4.480 4.545 -0.065 1 1 963 . 4 1 1 A 103 103 PRO CA C 103 64.100 63.977 0.123 1 1 964 . 4 1 1 A 103 103 PRO CB C 103 32.000 31.418 0.582 1 1 967 . 4 1 1 A 104 104 GLY H H 104 8.920 9.118 -0.198 1 1 968 . 4 1 1 A 104 104 GLY HA2 H 104 4.270 3.952 0.318 1 1 969 . 4 1 1 A 104 104 GLY HA3 H 104 4.160 3.966 0.194 1 1 970 . 4 1 1 A 104 104 GLY CA C 104 45.600 45.243 0.357 1 1 971 . 4 1 1 A 104 104 GLY N N 104 109.600 113.034 -3.434 1 1 972 . 4 1 1 A 105 105 PHE H H 105 7.250 7.919 -0.669 1 1 973 . 4 1 1 A 105 105 PHE HA H 105 4.930 4.516 0.414 1 1 981 . 4 1 1 A 105 105 PHE CA C 105 54.900 57.999 -3.099 1 1 982 . 4 1 1 A 105 105 PHE CB C 105 39.400 40.372 -0.972 1 1 986 . 4 1 1 A 105 105 PHE N N 105 120.100 119.766 0.334 1 1 987 . 4 1 1 A 106 106 THR H H 106 8.110 8.571 -0.461 1 1 988 . 4 1 1 A 106 106 THR HA H 106 4.840 4.801 0.039 1 1 993 . 4 1 1 A 106 106 THR CA C 106 64.400 62.402 1.998 1 1 994 . 4 1 1 A 106 106 THR CB C 106 70.500 69.723 0.777 1 1 996 . 4 1 1 A 106 106 THR N N 106 118.600 117.240 1.360 1 1 997 . 4 1 1 A 107 107 TYR H H 107 9.660 9.073 0.587 1 1 998 . 4 1 1 A 107 107 TYR HA H 107 5.150 5.934 -0.784 1 1 1005 . 4 1 1 A 107 107 TYR CA C 107 56.900 57.365 -0.465 1 1 1006 . 4 1 1 A 107 107 TYR CB C 107 38.900 40.062 -1.162 1 1 1009 . 4 1 1 A 107 107 TYR N N 107 126.600 127.301 -0.701 1 1 1010 . 4 1 1 A 108 108 VAL H H 108 9.270 9.200 0.070 1 1 1011 . 4 1 1 A 108 108 VAL HA H 108 5.220 4.888 0.332 1 1 1019 . 4 1 1 A 108 108 VAL CA C 108 60.800 61.974 -1.174 1 1 1020 . 4 1 1 A 108 108 VAL CB C 108 33.500 33.206 0.294 1 1 1023 . 4 1 1 A 108 108 VAL N N 108 124.400 123.887 0.513 1 1 1024 . 4 1 1 A 109 109 ILE H H 109 9.300 9.411 -0.111 1 1 1025 . 4 1 1 A 109 109 ILE HA H 109 5.150 5.431 -0.281 1 1 1035 . 4 1 1 A 109 109 ILE CA C 109 58.000 59.492 -1.492 1 1 1036 . 4 1 1 A 109 109 ILE CB C 109 39.600 40.594 -0.994 1 1 1040 . 4 1 1 A 109 109 ILE N N 109 128.500 128.022 0.478 1 1 1041 . 4 1 1 A 110 110 VAL H H 110 7.910 8.864 -0.954 1 1 1042 . 4 1 1 A 110 110 VAL HA H 110 5.650 5.159 0.491 1 1 1050 . 4 1 1 A 110 110 VAL CA C 110 56.800 59.495 -2.695 1 1 1051 . 4 1 1 A 110 110 VAL CB C 110 35.400 34.979 0.421 1 1 1054 . 4 1 1 A 110 110 VAL N N 110 122.600 127.437 -4.837 1 1 1055 . 4 1 1 A 111 111 SER H H 111 9.390 9.068 0.322 1 1 1056 . 4 1 1 A 111 111 SER HA H 111 4.850 4.869 -0.019 1 1 1059 . 4 1 1 A 111 111 SER CA C 111 57.700 58.235 -0.535 1 1 1060 . 4 1 1 A 111 111 SER CB C 111 64.500 63.721 0.779 1 1 1061 . 4 1 1 A 111 111 SER N N 111 124.700 125.081 -0.381 1 1 1062 . 4 1 1 A 112 112 VAL H H 112 7.850 9.556 -1.706 1 1 1063 . 4 1 1 A 112 112 VAL HA H 112 4.530 4.696 -0.166 1 1 1071 . 4 1 1 A 112 112 VAL CA C 112 61.000 61.384 -0.384 1 1 1072 . 4 1 1 A 112 112 VAL CB C 112 33.800 32.964 0.836 1 1 1075 . 4 1 1 A 112 112 VAL N N 112 126.100 127.051 -0.951 1 1 1076 . 4 1 1 A 113 113 ARG H H 113 8.620 9.478 -0.858 1 1 1077 . 4 1 1 A 113 113 ARG HA H 113 5.020 4.600 0.420 1 1 1084 . 4 1 1 A 113 113 ARG CA C 113 54.100 54.739 -0.639 1 1 1085 . 4 1 1 A 113 113 ARG CB C 113 31.500 30.878 0.622 1 1 1088 . 4 1 1 A 113 113 ARG N N 113 128.800 128.339 0.461 1 1 1089 . 4 1 1 A 114 114 ASP H H 114 9.650 9.175 0.475 1 1 1090 . 4 1 1 A 114 114 ASP HA H 114 4.370 4.488 -0.118 1 1 1093 . 4 1 1 A 114 114 ASP CA C 114 55.100 55.014 0.086 1 1 1094 . 4 1 1 A 114 114 ASP CB C 114 39.800 39.922 -0.122 1 1 1095 . 4 1 1 A 114 114 ASP N N 114 128.100 126.759 1.341 1 1 1096 . 4 1 1 A 115 115 GLY H H 115 8.350 7.492 0.858 1 1 1097 . 4 1 1 A 115 115 GLY HA2 H 115 3.980 3.441 0.539 1 1 1098 . 4 1 1 A 115 115 GLY HA3 H 115 2.460 3.711 -1.251 1 1 1099 . 4 1 1 A 115 115 GLY CA C 115 45.500 44.889 0.611 1 1 1100 . 4 1 1 A 115 115 GLY N N 115 109.900 104.998 4.902 1 1 1101 . 4 1 1 A 116 116 ALA H H 116 7.610 7.334 0.276 1 1 1102 . 4 1 1 A 116 116 ALA HA H 116 4.920 4.458 0.462 1 1 1106 . 4 1 1 A 116 116 ALA CA C 116 48.200 49.553 -1.353 1 1 1107 . 4 1 1 A 116 116 ALA CB C 116 19.600 19.565 0.035 1 1 1108 . 4 1 1 A 116 116 ALA N N 116 123.900 124.673 -0.773 1 1 1109 . 4 1 1 A 117 117 PRO HA H 117 4.670 4.860 -0.190 1 1 1116 . 4 1 1 A 117 117 PRO CA C 117 62.900 62.408 0.492 1 1 1117 . 4 1 1 A 117 117 PRO CB C 117 31.500 31.757 -0.257 1 1 1120 . 4 1 1 A 118 118 GLU H H 118 8.900 9.326 -0.426 1 1 1121 . 4 1 1 A 118 118 GLU HA H 118 4.540 4.268 0.272 1 1 1126 . 4 1 1 A 118 118 GLU CA C 118 56.200 58.951 -2.751 1 1 1127 . 4 1 1 A 118 118 GLU CB C 118 30.500 30.039 0.461 1 1 1129 . 4 1 1 A 118 118 GLU N N 118 127.400 123.853 3.547 1 1 1130 . 4 1 1 A 119 119 ALA H H 119 8.060 7.821 0.239 1 1 1131 . 4 1 1 A 119 119 ALA HA H 119 4.460 4.767 -0.307 1 1 1135 . 4 1 1 A 119 119 ALA CA C 119 52.600 50.776 1.824 1 1 1136 . 4 1 1 A 119 119 ALA CB C 119 21.000 22.807 -1.807 1 1 1137 . 4 1 1 A 119 119 ALA N N 119 123.500 120.006 3.494 1 1 1138 . 4 1 1 A 120 120 LEU H H 120 8.170 8.750 -0.580 1 1 1139 . 4 1 1 A 120 120 LEU HA H 120 5.400 5.677 -0.277 1 1 1149 . 4 1 1 A 120 120 LEU CA C 120 55.000 52.743 2.257 1 1 1150 . 4 1 1 A 120 120 LEU CB C 120 45.300 45.652 -0.352 1 1 1154 . 4 1 1 A 120 120 LEU N N 120 123.500 117.846 5.654 1 1 1155 . 4 1 1 A 121 121 THR H H 121 9.450 9.043 0.407 1 1 1156 . 4 1 1 A 121 121 THR HA H 121 4.520 4.757 -0.237 1 1 1161 . 4 1 1 A 121 121 THR CA C 121 58.700 61.041 -2.341 1 1 1162 . 4 1 1 A 121 121 THR CB C 121 72.100 72.856 -0.756 1 1 1164 . 4 1 1 A 121 121 THR N N 121 117.400 114.695 2.705 1 1 1165 . 4 1 1 A 122 122 ALA H H 122 8.620 8.150 0.470 1 1 1166 . 4 1 1 A 122 122 ALA HA H 122 5.370 5.652 -0.282 1 1 1170 . 4 1 1 A 122 122 ALA CA C 122 50.400 49.886 0.514 1 1 1171 . 4 1 1 A 122 122 ALA CB C 122 21.900 22.502 -0.602 1 1 1172 . 4 1 1 A 122 122 ALA N N 122 123.400 124.595 -1.195 1 1 1173 . 4 1 1 A 123 123 TRP H H 123 8.740 9.759 -1.019 1 1 1174 . 4 1 1 A 123 123 TRP HA H 123 5.090 5.719 -0.629 1 1 1183 . 4 1 1 A 123 123 TRP CA C 123 56.700 56.407 0.293 1 1 1184 . 4 1 1 A 123 123 TRP CB C 123 33.300 33.302 -0.002 1 1 1190 . 4 1 1 A 123 123 TRP N N 123 118.700 121.684 -2.984 1 1 1192 . 4 1 1 A 124 124 ALA H H 124 9.570 9.507 0.063 1 1 1193 . 4 1 1 A 124 124 ALA HA H 124 5.360 5.420 -0.060 1 1 1197 . 4 1 1 A 124 124 ALA CA C 124 50.300 50.526 -0.226 1 1 1198 . 4 1 1 A 124 124 ALA CB C 124 22.600 20.559 2.041 1 1 1199 . 4 1 1 A 124 124 ALA N N 124 123.200 126.049 -2.849 1 1 1200 . 4 1 1 A 125 125 LEU H H 125 9.830 9.016 0.814 1 1 1201 . 4 1 1 A 125 125 LEU HA H 125 4.190 4.222 -0.032 1 1 1211 . 4 1 1 A 125 125 LEU CA C 125 54.700 54.744 -0.044 1 1 1212 . 4 1 1 A 125 125 LEU CB C 125 44.000 43.366 0.634 1 1 1216 . 4 1 1 A 125 125 LEU N N 125 125.000 126.439 -1.439 1 1 1217 . 4 1 1 A 126 126 ALA H H 126 8.310 8.846 -0.536 1 1 1218 . 4 1 1 A 126 126 ALA HA H 126 4.460 4.514 -0.054 1 1 1222 . 4 1 1 A 126 126 ALA CA C 126 51.100 50.749 0.351 1 1 1223 . 4 1 1 A 126 126 ALA CB C 126 18.300 17.874 0.426 1 1 1224 . 4 1 1 A 126 126 ALA N N 126 127.000 129.213 -2.213 1 1 1225 . 4 1 1 A 127 127 PRO HA H 127 4.340 4.281 0.059 1 1 1232 . 4 1 1 A 127 127 PRO CA C 127 65.400 65.790 -0.390 1 1 1233 . 4 1 1 A 127 127 PRO CB C 127 31.800 31.585 0.215 1 1 1236 . 4 1 1 A 128 128 ASP H H 128 7.680 8.009 -0.329 1 1 1237 . 4 1 1 A 128 128 ASP HA H 128 4.550 4.817 -0.267 1 1 1240 . 4 1 1 A 128 128 ASP CA C 128 52.900 52.995 -0.095 1 1 1241 . 4 1 1 A 128 128 ASP CB C 128 39.600 40.810 -1.210 1 1 1242 . 4 1 1 A 128 128 ASP N N 128 113.100 115.680 -2.580 1 1 1243 . 4 1 1 A 129 129 ARG H H 129 8.500 8.253 0.247 1 1 1244 . 4 1 1 A 129 129 ARG HA H 129 3.500 3.856 -0.356 1 1 1251 . 4 1 1 A 129 129 ARG CA C 129 57.600 57.133 0.467 1 1 1252 . 4 1 1 A 129 129 ARG CB C 129 26.900 26.994 -0.094 1 1 1255 . 4 1 1 A 129 129 ARG N N 129 113.100 115.662 -2.562 1 1 1256 . 4 1 1 A 130 130 SER H H 130 8.050 8.036 0.014 1 1 1257 . 4 1 1 A 130 130 SER HA H 130 4.020 4.293 -0.273 1 1 1260 . 4 1 1 A 130 130 SER CA C 130 60.100 61.106 -1.006 1 1 1261 . 4 1 1 A 130 130 SER CB C 130 63.600 63.737 -0.137 1 1 1262 . 4 1 1 A 130 130 SER N N 130 111.100 113.837 -2.737 1 1 1263 . 4 1 1 A 131 131 GLU H H 131 7.060 7.591 -0.531 1 1 1264 . 4 1 1 A 131 131 GLU HA H 131 4.420 4.520 -0.100 1 1 1269 . 4 1 1 A 131 131 GLU CA C 131 54.400 55.204 -0.804 1 1 1270 . 4 1 1 A 131 131 GLU CB C 131 31.800 31.347 0.453 1 1 1272 . 4 1 1 A 131 131 GLU N N 131 114.400 114.732 -0.332 1 1 1273 . 4 1 1 A 132 132 PHE H H 132 8.740 8.536 0.204 1 1 1274 . 4 1 1 A 132 132 PHE HA H 132 5.390 5.458 -0.068 1 1 1282 . 4 1 1 A 132 132 PHE CA C 132 57.200 56.674 0.526 1 1 1283 . 4 1 1 A 132 132 PHE CB C 132 42.900 42.773 0.127 1 1 1287 . 4 1 1 A 132 132 PHE N N 132 117.300 116.744 0.556 1 1 1288 . 4 1 1 A 133 133 HIS H H 133 9.870 9.528 0.342 1 1 1289 . 4 1 1 A 133 133 HIS HA H 133 5.380 5.309 0.071 1 1 1294 . 4 1 1 A 133 133 HIS CA C 133 53.300 54.739 -1.439 1 1 1295 . 4 1 1 A 133 133 HIS CB C 133 32.700 33.554 -0.854 1 1 1298 . 4 1 1 A 133 133 HIS N N 133 117.900 118.390 -0.490 1 1 1299 . 4 1 1 A 134 134 ARG H H 134 9.080 8.949 0.131 1 1 1300 . 4 1 1 A 134 134 ARG HA H 134 3.500 4.363 -0.863 1 1 1307 . 4 1 1 A 134 134 ARG CA C 134 57.100 54.708 2.392 1 1 1308 . 4 1 1 A 134 134 ARG CB C 134 30.100 31.453 -1.353 1 1 1311 . 4 1 1 A 134 134 ARG N N 134 125.600 123.772 1.828 1 1 1312 . 4 1 1 A 135 135 GLU H H 135 8.410 8.396 0.014 1 1 1313 . 4 1 1 A 135 135 GLU HA H 135 4.550 4.894 -0.344 1 1 1318 . 4 1 1 A 135 135 GLU CA C 135 54.000 54.725 -0.725 1 1 1319 . 4 1 1 A 135 135 GLU CB C 135 33.000 34.008 -1.008 1 1 1321 . 4 1 1 A 135 135 GLU N N 135 128.500 124.609 3.891 1 1 1322 . 4 1 1 A 136 136 ASP H H 136 8.480 8.628 -0.148 1 1 1323 . 4 1 1 A 136 136 ASP HA H 136 4.460 5.195 -0.735 1 1 1326 . 4 1 1 A 136 136 ASP CA C 136 54.700 52.928 1.772 1 1 1327 . 4 1 1 A 136 136 ASP CB C 136 41.500 43.024 -1.524 1 1 1328 . 4 1 1 A 136 136 ASP N N 136 124.300 124.695 -0.395 1 1 1329 . 4 1 1 A 137 137 ILE H H 137 8.340 8.495 -0.155 1 1 1330 . 4 1 1 A 137 137 ILE HA H 137 4.570 4.313 0.257 1 1 1340 . 4 1 1 A 137 137 ILE CA C 137 61.400 60.857 0.543 1 1 1341 . 4 1 1 A 137 137 ILE CB C 137 38.600 37.514 1.086 1 1 1345 . 4 1 1 A 137 137 ILE N N 137 121.100 121.715 -0.615 1 1 1346 . 4 1 1 A 138 138 VAL H H 138 8.730 8.541 0.189 1 1 1347 . 4 1 1 A 138 138 VAL HA H 138 4.570 4.910 -0.340 1 1 1355 . 4 1 1 A 138 138 VAL CA C 138 59.800 59.229 0.571 1 1 1356 . 4 1 1 A 138 138 VAL CB C 138 34.700 34.577 0.123 1 1 1359 . 4 1 1 A 138 138 VAL N N 138 125.100 123.100 2.000 1 1 1360 . 4 1 1 A 139 139 ARG H H 139 8.390 8.307 0.083 1 1 1361 . 4 1 1 A 139 139 ARG HA H 139 5.210 5.113 0.097 1 1 1368 . 4 1 1 A 139 139 ARG CA C 139 53.500 54.371 -0.871 1 1 1369 . 4 1 1 A 139 139 ARG CB C 139 30.100 29.517 0.583 1 1 1372 . 4 1 1 A 139 139 ARG N N 139 122.800 122.930 -0.130 1 1 1373 . 4 1 1 A 140 140 PRO HA H 140 4.380 4.768 -0.388 1 1 1380 . 4 1 1 A 140 140 PRO CA C 140 62.400 62.611 -0.211 1 1 1381 . 4 1 1 A 140 140 PRO CB C 140 32.000 31.087 0.913 1 1 1384 . 4 1 1 A 141 141 ASP H H 141 8.520 8.257 0.263 1 1 1385 . 4 1 1 A 141 141 ASP HA H 141 4.780 5.109 -0.329 1 1 1388 . 4 1 1 A 141 141 ASP CA C 141 54.500 51.302 3.198 1 1 1389 . 4 1 1 A 141 141 ASP CB C 141 40.600 41.454 -0.854 1 1 1390 . 4 1 1 A 141 141 ASP N N 141 122.200 123.579 -1.379 1 1 1391 . 4 1 1 A 142 142 PRO HA H 142 4.380 4.489 -0.109 1 1 1398 . 4 1 1 A 142 142 PRO CA C 142 63.500 63.831 -0.331 1 1 1399 . 4 1 1 A 142 142 PRO CB C 142 32.000 32.013 -0.013 1 1 1402 . 4 1 1 A 143 143 GLU H H 143 8.460 8.129 0.331 1 1 1403 . 4 1 1 A 143 143 GLU HA H 143 4.260 4.554 -0.294 1 1 1408 . 4 1 1 A 143 143 GLU CA C 143 56.000 56.217 -0.217 1 1 1409 . 4 1 1 A 143 143 GLU CB C 143 30.000 30.857 -0.857 1 1 1411 . 4 1 1 A 143 143 GLU N N 143 119.500 119.201 0.299 1 1 1412 . 4 1 1 A 144 144 ALA H H 144 8.030 7.530 0.500 1 1 1413 . 4 1 1 A 144 144 ALA HA H 144 4.590 4.433 0.157 1 1 1417 . 4 1 1 A 144 144 ALA CA C 144 50.300 50.562 -0.262 1 1 1418 . 4 1 1 A 144 144 ALA CB C 144 18.300 18.615 -0.315 1 1 1419 . 4 1 1 A 144 144 ALA N N 144 125.800 124.045 1.755 1 1 1420 . 4 1 1 A 145 145 PRO HA H 145 4.400 4.582 -0.182 1 1 1427 . 4 1 1 A 145 145 PRO CA C 145 62.900 62.560 0.340 1 1 1428 . 4 1 1 A 145 145 PRO CB C 145 32.000 32.350 -0.350 1 1 1431 . 4 1 1 A 146 146 LEU H H 146 8.330 8.291 0.039 1 1 1432 . 4 1 1 A 146 146 LEU HA H 146 4.230 4.314 -0.084 1 1 1442 . 4 1 1 A 146 146 LEU CA C 146 55.100 55.182 -0.082 1 1 1443 . 4 1 1 A 146 146 LEU CB C 146 42.200 42.513 -0.313 1 1 1447 . 4 1 1 A 146 146 LEU N N 146 122.100 123.655 -1.555 1 1 1448 . 4 1 1 A 147 147 GLU H H 147 8.300 8.752 -0.452 1 1 1449 . 4 1 1 A 147 147 GLU HA H 147 4.220 4.415 -0.195 1 1 1454 . 4 1 1 A 147 147 GLU CA C 147 56.200 56.457 -0.257 1 1 1455 . 4 1 1 A 147 147 GLU CB C 147 30.300 30.657 -0.357 1 1 13 . 5 1 1 A 2 2 LYS H H 2 9.020 8.734 0.286 1 1 14 . 5 1 1 A 2 2 LYS HA H 2 5.640 5.747 -0.107 1 1 23 . 5 1 1 A 2 2 LYS CA C 2 53.700 54.858 -1.158 1 1 24 . 5 1 1 A 2 2 LYS CB C 2 34.900 35.099 -0.199 1 1 28 . 5 1 1 A 2 2 LYS N N 2 125.700 126.826 -1.126 1 1 29 . 5 1 1 A 3 3 THR H H 3 8.850 8.431 0.419 1 1 30 . 5 1 1 A 3 3 THR HA H 3 4.660 4.821 -0.161 1 1 36 . 5 1 1 A 3 3 THR CA C 3 61.600 60.398 1.202 1 1 37 . 5 1 1 A 3 3 THR CB C 3 68.200 71.397 -3.197 1 1 39 . 5 1 1 A 3 3 THR N N 3 117.000 116.419 0.581 1 1 40 . 5 1 1 A 4 4 THR H H 4 8.100 8.570 -0.470 1 1 41 . 5 1 1 A 4 4 THR HA H 4 4.790 4.749 0.041 1 1 46 . 5 1 1 A 4 4 THR CA C 4 58.500 60.345 -1.845 1 1 47 . 5 1 1 A 4 4 THR CB C 4 68.400 68.816 -0.416 1 1 49 . 5 1 1 A 4 4 THR N N 4 110.200 117.238 -7.038 1 1 50 . 5 1 1 A 5 5 PRO HA H 5 4.110 4.323 -0.213 1 1 57 . 5 1 1 A 5 5 PRO CA C 5 65.300 65.296 0.004 1 1 58 . 5 1 1 A 5 5 PRO CB C 5 31.800 31.843 -0.043 1 1 61 . 5 1 1 A 6 6 ASP H H 6 8.530 8.773 -0.243 1 1 62 . 5 1 1 A 6 6 ASP HA H 6 4.350 4.381 -0.031 1 1 65 . 5 1 1 A 6 6 ASP CA C 6 56.300 56.370 -0.070 1 1 66 . 5 1 1 A 6 6 ASP CB C 6 39.500 39.367 0.133 1 1 67 . 5 1 1 A 6 6 ASP N N 6 114.600 115.274 -0.674 1 1 68 . 5 1 1 A 7 7 ILE H H 7 7.270 7.437 -0.167 1 1 69 . 5 1 1 A 7 7 ILE HA H 7 3.620 3.666 -0.046 1 1 79 . 5 1 1 A 7 7 ILE CA C 7 61.900 65.148 -3.248 1 1 80 . 5 1 1 A 7 7 ILE CB C 7 34.900 37.857 -2.957 1 1 84 . 5 1 1 A 7 7 ILE N N 7 121.700 121.476 0.224 1 1 85 . 5 1 1 A 8 8 LEU H H 8 6.960 7.962 -1.002 1 1 86 . 5 1 1 A 8 8 LEU HA H 8 3.710 3.914 -0.204 1 1 96 . 5 1 1 A 8 8 LEU CA C 8 57.800 58.088 -0.288 1 1 97 . 5 1 1 A 8 8 LEU CB C 8 39.900 41.075 -1.175 1 1 101 . 5 1 1 A 8 8 LEU N N 8 117.200 119.487 -2.287 1 1 102 . 5 1 1 A 9 9 ASP H H 9 8.220 8.519 -0.299 1 1 103 . 5 1 1 A 9 9 ASP HA H 9 4.330 4.230 0.100 1 1 106 . 5 1 1 A 9 9 ASP CA C 9 57.600 57.870 -0.270 1 1 107 . 5 1 1 A 9 9 ASP CB C 9 40.100 41.468 -1.368 1 1 108 . 5 1 1 A 9 9 ASP N N 9 117.600 119.925 -2.325 1 1 109 . 5 1 1 A 10 10 GLN H H 10 7.630 8.070 -0.440 1 1 110 . 5 1 1 A 10 10 GLN HA H 10 3.850 4.063 -0.213 1 1 117 . 5 1 1 A 10 10 GLN CA C 10 59.200 58.653 0.547 1 1 118 . 5 1 1 A 10 10 GLN CB C 10 29.300 28.390 0.910 1 1 120 . 5 1 1 A 10 10 GLN N N 10 118.700 117.769 0.931 1 1 122 . 5 1 1 A 11 11 ILE H H 11 7.590 8.170 -0.580 1 1 123 . 5 1 1 A 11 11 ILE HA H 11 2.960 3.630 -0.670 1 1 133 . 5 1 1 A 11 11 ILE CA C 11 65.800 64.803 0.997 1 1 134 . 5 1 1 A 11 11 ILE CB C 11 37.500 37.514 -0.014 1 1 138 . 5 1 1 A 11 11 ILE N N 11 121.700 121.096 0.604 1 1 139 . 5 1 1 A 12 12 ARG H H 12 7.720 8.268 -0.548 1 1 140 . 5 1 1 A 12 12 ARG HA H 12 3.610 4.117 -0.507 1 1 147 . 5 1 1 A 12 12 ARG CA C 12 61.300 58.745 2.555 1 1 148 . 5 1 1 A 12 12 ARG CB C 12 30.100 29.864 0.236 1 1 151 . 5 1 1 A 12 12 ARG N N 12 118.400 120.417 -2.017 1 1 152 . 5 1 1 A 13 13 VAL H H 13 8.480 7.780 0.700 1 1 153 . 5 1 1 A 13 13 VAL HA H 13 3.640 3.592 0.048 1 1 161 . 5 1 1 A 13 13 VAL CA C 13 66.400 66.217 0.183 1 1 162 . 5 1 1 A 13 13 VAL CB C 13 31.600 31.858 -0.258 1 1 165 . 5 1 1 A 13 13 VAL N N 13 118.400 120.973 -2.573 1 1 166 . 5 1 1 A 14 14 HIS H H 14 7.790 8.286 -0.496 1 1 167 . 5 1 1 A 14 14 HIS HA H 14 4.620 4.269 0.351 1 1 172 . 5 1 1 A 14 14 HIS CA C 14 57.500 58.988 -1.488 1 1 173 . 5 1 1 A 14 14 HIS CB C 14 31.100 29.545 1.555 1 1 176 . 5 1 1 A 14 14 HIS N N 14 119.600 119.014 0.586 1 1 177 . 5 1 1 A 15 15 GLY H H 15 8.290 8.250 0.040 1 1 178 . 5 1 1 A 15 15 GLY HA2 H 15 3.400 3.692 -0.292 1 1 179 . 5 1 1 A 15 15 GLY HA3 H 15 3.620 3.730 -0.110 1 1 180 . 5 1 1 A 15 15 GLY CA C 15 47.800 47.179 0.621 1 1 181 . 5 1 1 A 15 15 GLY N N 15 104.200 106.071 -1.871 1 1 182 . 5 1 1 A 16 16 ALA H H 16 8.650 7.878 0.772 1 1 183 . 5 1 1 A 16 16 ALA HA H 16 3.940 3.960 -0.020 1 1 187 . 5 1 1 A 16 16 ALA CA C 16 55.500 54.483 1.017 1 1 188 . 5 1 1 A 16 16 ALA CB C 16 18.600 18.465 0.135 1 1 189 . 5 1 1 A 16 16 ALA N N 16 125.700 124.898 0.802 1 1 190 . 5 1 1 A 17 17 ASP H H 17 9.020 8.550 0.470 1 1 191 . 5 1 1 A 17 17 ASP HA H 17 4.420 4.405 0.015 1 1 194 . 5 1 1 A 17 17 ASP CA C 17 56.700 56.492 0.208 1 1 195 . 5 1 1 A 17 17 ASP CB C 17 41.300 41.313 -0.013 1 1 196 . 5 1 1 A 17 17 ASP N N 17 119.300 118.691 0.609 1 1 197 . 5 1 1 A 18 18 ALA H H 18 8.210 7.616 0.594 1 1 198 . 5 1 1 A 18 18 ALA HA H 18 4.180 4.069 0.111 1 1 202 . 5 1 1 A 18 18 ALA CA C 18 53.100 54.860 -1.760 1 1 203 . 5 1 1 A 18 18 ALA CB C 18 19.000 18.053 0.947 1 1 204 . 5 1 1 A 18 18 ALA N N 18 118.300 120.225 -1.925 1 1 205 . 5 1 1 A 19 19 TYR H H 19 7.080 7.326 -0.246 1 1 206 . 5 1 1 A 19 19 TYR HA H 19 4.190 4.648 -0.458 1 1 213 . 5 1 1 A 19 19 TYR CA C 19 58.300 57.101 1.199 1 1 214 . 5 1 1 A 19 19 TYR CB C 19 39.100 38.239 0.861 1 1 217 . 5 1 1 A 19 19 TYR N N 19 118.200 117.656 0.544 1 1 218 . 5 1 1 A 20 20 PRO HA H 20 2.690 4.674 -1.984 1 1 225 . 5 1 1 A 20 20 PRO CA C 20 63.300 63.800 -0.500 1 1 226 . 5 1 1 A 20 20 PRO CB C 20 33.500 32.080 1.420 1 1 229 . 5 1 1 A 21 21 GLU H H 21 8.660 7.944 0.716 1 1 230 . 5 1 1 A 21 21 GLU HA H 21 4.420 4.309 0.111 1 1 235 . 5 1 1 A 21 21 GLU CA C 21 55.300 56.422 -1.122 1 1 236 . 5 1 1 A 21 21 GLU CB C 21 30.400 30.329 0.071 1 1 238 . 5 1 1 A 21 21 GLU N N 21 124.800 120.037 4.763 1 1 239 . 5 1 1 A 22 22 GLU H H 22 8.290 8.361 -0.071 1 1 240 . 5 1 1 A 22 22 GLU HA H 22 3.990 4.118 -0.128 1 1 245 . 5 1 1 A 22 22 GLU CA C 22 56.400 56.269 0.131 1 1 246 . 5 1 1 A 22 22 GLU CB C 22 30.900 29.687 1.213 1 1 248 . 5 1 1 A 22 22 GLU N N 22 119.700 122.147 -2.447 1 1 249 . 5 1 1 A 23 23 GLY H H 23 8.770 8.727 0.043 1 1 250 . 5 1 1 A 23 23 GLY HA2 H 23 2.430 3.867 -1.437 1 1 251 . 5 1 1 A 23 23 GLY HA3 H 23 4.270 3.889 0.381 1 1 252 . 5 1 1 A 23 23 GLY CA C 23 42.900 46.863 -3.963 1 1 253 . 5 1 1 A 23 23 GLY N N 23 112.400 111.182 1.218 1 1 254 . 5 1 1 A 24 24 CYS H H 24 8.580 7.755 0.825 1 1 255 . 5 1 1 A 24 24 CYS HA H 24 4.630 4.471 0.159 1 1 258 . 5 1 1 A 24 24 CYS CA C 24 54.900 59.423 -4.523 1 1 259 . 5 1 1 A 24 24 CYS CB C 24 31.300 28.190 3.110 1 1 260 . 5 1 1 A 24 24 CYS N N 24 118.100 118.474 -0.374 1 1 261 . 5 1 1 A 25 25 GLY H H 25 6.730 7.825 -1.095 1 1 262 . 5 1 1 A 25 25 GLY HA2 H 25 3.650 4.279 -0.629 1 1 263 . 5 1 1 A 25 25 GLY HA3 H 25 4.030 4.321 -0.291 1 1 264 . 5 1 1 A 25 25 GLY CA C 25 45.900 45.996 -0.096 1 1 265 . 5 1 1 A 25 25 GLY N N 25 104.600 108.541 -3.941 1 1 266 . 5 1 1 A 26 26 PHE H H 26 9.350 8.131 1.219 1 1 267 . 5 1 1 A 26 26 PHE HA H 26 5.130 5.304 -0.174 1 1 275 . 5 1 1 A 26 26 PHE CA C 26 56.900 56.702 0.198 1 1 276 . 5 1 1 A 26 26 PHE CB C 26 43.300 43.781 -0.481 1 1 280 . 5 1 1 A 26 26 PHE N N 26 114.900 119.122 -4.222 1 1 281 . 5 1 1 A 27 27 LEU H H 27 8.320 9.383 -1.063 1 1 282 . 5 1 1 A 27 27 LEU HA H 27 4.590 5.039 -0.449 1 1 292 . 5 1 1 A 27 27 LEU CA C 27 52.900 53.865 -0.965 1 1 293 . 5 1 1 A 27 27 LEU CB C 27 41.200 42.219 -1.019 1 1 297 . 5 1 1 A 27 27 LEU N N 27 119.100 123.149 -4.049 1 1 298 . 5 1 1 A 28 28 LEU H H 28 9.050 8.852 0.198 1 1 299 . 5 1 1 A 28 28 LEU HA H 28 5.390 5.367 0.023 1 1 309 . 5 1 1 A 28 28 LEU CA C 28 51.900 53.181 -1.281 1 1 310 . 5 1 1 A 28 28 LEU CB C 28 42.900 43.734 -0.834 1 1 314 . 5 1 1 A 28 28 LEU N N 28 123.500 125.536 -2.036 1 1 315 . 5 1 1 A 29 29 GLY H H 29 9.950 8.336 1.614 1 1 316 . 5 1 1 A 29 29 GLY HA2 H 29 5.270 4.350 0.920 1 1 317 . 5 1 1 A 29 29 GLY HA3 H 29 3.900 4.361 -0.461 1 1 318 . 5 1 1 A 29 29 GLY CA C 29 46.700 46.304 0.396 1 1 319 . 5 1 1 A 29 29 GLY N N 29 112.400 110.258 2.142 1 1 320 . 5 1 1 A 30 30 THR H H 30 8.810 8.460 0.350 1 1 321 . 5 1 1 A 30 30 THR HA H 30 4.810 5.351 -0.541 1 1 326 . 5 1 1 A 30 30 THR CA C 30 59.900 59.668 0.232 1 1 327 . 5 1 1 A 30 30 THR CB C 30 72.200 71.938 0.262 1 1 329 . 5 1 1 A 30 30 THR N N 30 116.000 117.046 -1.046 1 1 330 . 5 1 1 A 31 31 VAL H H 31 8.530 8.782 -0.252 1 1 331 . 5 1 1 A 31 31 VAL HA H 31 4.830 4.492 0.338 1 1 339 . 5 1 1 A 31 31 VAL CA C 31 61.900 62.370 -0.470 1 1 340 . 5 1 1 A 31 31 VAL CB C 31 32.200 31.749 0.451 1 1 343 . 5 1 1 A 31 31 VAL N N 31 124.200 123.115 1.085 1 1 344 . 5 1 1 A 32 32 THR H H 32 9.040 8.508 0.532 1 1 345 . 5 1 1 A 32 32 THR HA H 32 4.580 4.694 -0.114 1 1 350 . 5 1 1 A 32 32 THR CA C 32 61.200 60.958 0.242 1 1 351 . 5 1 1 A 32 32 THR CB C 32 70.700 70.613 0.087 1 1 353 . 5 1 1 A 32 32 THR N N 32 118.900 121.208 -2.308 1 1 354 . 5 1 1 A 33 33 ASP H H 33 8.980 9.497 -0.517 1 1 355 . 5 1 1 A 33 33 ASP HA H 33 4.400 4.355 0.045 1 1 358 . 5 1 1 A 33 33 ASP CA C 33 56.800 55.614 1.186 1 1 359 . 5 1 1 A 33 33 ASP CB C 33 40.100 39.304 0.796 1 1 360 . 5 1 1 A 33 33 ASP N N 33 121.100 125.558 -4.458 1 1 361 . 5 1 1 A 34 34 ASP H H 34 7.960 8.538 -0.578 1 1 362 . 5 1 1 A 34 34 ASP HA H 34 4.640 4.306 0.334 1 1 365 . 5 1 1 A 34 34 ASP CA C 34 53.500 54.983 -1.483 1 1 366 . 5 1 1 A 34 34 ASP CB C 34 40.400 39.861 0.539 1 1 367 . 5 1 1 A 34 34 ASP N N 34 115.400 118.426 -3.026 1 1 368 . 5 1 1 A 35 35 GLY H H 35 8.080 7.848 0.232 1 1 369 . 5 1 1 A 35 35 GLY HA2 H 35 3.590 4.021 -0.431 1 1 370 . 5 1 1 A 35 35 GLY HA3 H 35 4.200 4.030 0.170 1 1 371 . 5 1 1 A 35 35 GLY CA C 35 45.400 45.508 -0.108 1 1 372 . 5 1 1 A 35 35 GLY N N 35 108.400 105.303 3.097 1 1 373 . 5 1 1 A 36 36 ASP H H 36 7.690 8.016 -0.326 1 1 374 . 5 1 1 A 36 36 ASP HA H 36 4.790 5.014 -0.224 1 1 377 . 5 1 1 A 36 36 ASP CA C 36 51.900 52.119 -0.219 1 1 378 . 5 1 1 A 36 36 ASP CB C 36 42.300 43.278 -0.978 1 1 379 . 5 1 1 A 36 36 ASP N N 36 120.100 122.083 -1.983 1 1 380 . 5 1 1 A 37 37 ASN H H 37 8.920 9.235 -0.315 1 1 381 . 5 1 1 A 37 37 ASN HA H 37 5.180 5.602 -0.422 1 1 386 . 5 1 1 A 37 37 ASN CA C 37 52.900 51.391 1.509 1 1 387 . 5 1 1 A 37 37 ASN CB C 37 38.800 42.142 -3.342 1 1 388 . 5 1 1 A 37 37 ASN N N 37 119.000 118.674 0.326 1 1 390 . 5 1 1 A 38 38 ARG H H 38 9.480 9.089 0.391 1 1 391 . 5 1 1 A 38 38 ARG HA H 38 5.310 5.313 -0.003 1 1 398 . 5 1 1 A 38 38 ARG CA C 38 53.500 54.581 -1.081 1 1 399 . 5 1 1 A 38 38 ARG CB C 38 31.000 33.680 -2.680 1 1 402 . 5 1 1 A 38 38 ARG N N 38 126.900 121.972 4.928 1 1 403 . 5 1 1 A 39 39 VAL H H 39 8.810 8.991 -0.181 1 1 404 . 5 1 1 A 39 39 VAL HA H 39 4.150 4.330 -0.180 1 1 412 . 5 1 1 A 39 39 VAL CA C 39 62.800 62.217 0.583 1 1 413 . 5 1 1 A 39 39 VAL CB C 39 33.100 32.596 0.504 1 1 416 . 5 1 1 A 39 39 VAL N N 39 125.700 122.879 2.821 1 1 417 . 5 1 1 A 40 40 ALA H H 40 9.680 8.728 0.952 1 1 418 . 5 1 1 A 40 40 ALA HA H 40 4.690 4.504 0.186 1 1 422 . 5 1 1 A 40 40 ALA CA C 40 51.300 52.716 -1.416 1 1 423 . 5 1 1 A 40 40 ALA CB C 40 22.700 20.829 1.871 1 1 424 . 5 1 1 A 40 40 ALA N N 40 102.300 129.814 -27.514 1 1 425 . 5 1 1 A 41 41 ALA H H 41 8.370 7.731 0.639 1 1 426 . 5 1 1 A 41 41 ALA HA H 41 4.530 4.820 -0.290 1 1 430 . 5 1 1 A 41 41 ALA CA C 41 51.700 51.559 0.141 1 1 431 . 5 1 1 A 41 41 ALA CB C 41 22.200 22.965 -0.765 1 1 432 . 5 1 1 A 41 41 ALA N N 41 120.200 117.565 2.635 1 1 433 . 5 1 1 A 42 42 LEU H H 42 8.690 8.551 0.139 1 1 434 . 5 1 1 A 42 42 LEU HA H 42 5.320 5.191 0.129 1 1 444 . 5 1 1 A 42 42 LEU CA C 42 53.500 53.508 -0.008 1 1 445 . 5 1 1 A 42 42 LEU CB C 42 46.300 45.207 1.093 1 1 449 . 5 1 1 A 42 42 LEU N N 42 118.300 120.128 -1.828 1 1 450 . 5 1 1 A 43 43 HIS H H 43 8.820 8.839 -0.019 1 1 451 . 5 1 1 A 43 43 HIS HA H 43 4.870 5.160 -0.290 1 1 456 . 5 1 1 A 43 43 HIS CA C 43 56.300 55.355 0.945 1 1 457 . 5 1 1 A 43 43 HIS CB C 43 34.200 33.340 0.860 1 1 460 . 5 1 1 A 43 43 HIS N N 43 120.700 123.935 -3.235 1 1 461 . 5 1 1 A 44 44 ARG H H 44 8.580 8.251 0.329 1 1 462 . 5 1 1 A 44 44 ARG HA H 44 4.420 4.293 0.127 1 1 469 . 5 1 1 A 44 44 ARG CA C 44 57.400 56.615 0.785 1 1 470 . 5 1 1 A 44 44 ARG CB C 44 31.100 30.769 0.331 1 1 473 . 5 1 1 A 44 44 ARG N N 44 128.300 124.899 3.401 1 1 474 . 5 1 1 A 45 45 ALA H H 45 8.580 8.597 -0.017 1 1 475 . 5 1 1 A 45 45 ALA HA H 45 4.720 4.773 -0.053 1 1 479 . 5 1 1 A 45 45 ALA CA C 45 51.500 50.539 0.961 1 1 480 . 5 1 1 A 45 45 ALA CB C 45 20.200 20.943 -0.743 1 1 481 . 5 1 1 A 45 45 ALA N N 45 125.700 126.121 -0.421 1 1 482 . 5 1 1 A 46 46 THR H H 46 8.250 9.233 -0.983 1 1 483 . 5 1 1 A 46 46 THR HA H 46 4.270 4.847 -0.577 1 1 488 . 5 1 1 A 46 46 THR CA C 46 62.000 59.313 2.687 1 1 489 . 5 1 1 A 46 46 THR CB C 46 69.900 71.509 -1.609 1 1 491 . 5 1 1 A 46 46 THR N N 46 115.500 112.887 2.613 1 1 492 . 5 1 1 A 47 47 ASN H H 47 8.590 8.518 0.072 1 1 493 . 5 1 1 A 47 47 ASN HA H 47 4.620 4.727 -0.107 1 1 498 . 5 1 1 A 47 47 ASN CA C 47 53.400 52.421 0.979 1 1 499 . 5 1 1 A 47 47 ASN CB C 47 38.400 37.944 0.456 1 1 500 . 5 1 1 A 47 47 ASN N N 47 122.400 123.087 -0.687 1 1 502 . 5 1 1 A 50 50 SER H H 50 8.480 7.979 0.501 1 1 503 . 5 1 1 A 50 50 SER HA H 50 4.400 4.328 0.072 1 1 506 . 5 1 1 A 50 50 SER CA C 50 58.900 58.940 -0.040 1 1 507 . 5 1 1 A 50 50 SER CB C 50 63.600 64.028 -0.428 1 1 508 . 5 1 1 A 50 50 SER N N 50 116.600 115.377 1.223 1 1 509 . 5 1 1 A 51 51 GLU H H 51 8.510 7.984 0.526 1 1 510 . 5 1 1 A 51 51 GLU HA H 51 4.300 4.412 -0.112 1 1 515 . 5 1 1 A 51 51 GLU CA C 51 56.800 57.915 -1.115 1 1 516 . 5 1 1 A 51 51 GLU CB C 51 29.900 29.420 0.480 1 1 518 . 5 1 1 A 51 51 GLU N N 51 121.800 121.004 0.796 1 1 519 . 5 1 1 A 52 52 GLN H H 52 8.300 8.443 -0.143 1 1 520 . 5 1 1 A 52 52 GLN HA H 52 4.310 4.396 -0.086 1 1 527 . 5 1 1 A 52 52 GLN CA C 52 55.900 56.147 -0.247 1 1 528 . 5 1 1 A 52 52 GLN CB C 52 29.000 29.294 -0.294 1 1 530 . 5 1 1 A 52 52 GLN N N 52 119.500 121.392 -1.892 1 1 532 . 5 1 1 A 53 53 ARG H H 53 8.350 8.429 -0.079 1 1 533 . 5 1 1 A 53 53 ARG HA H 53 4.310 4.589 -0.279 1 1 540 . 5 1 1 A 53 53 ARG CA C 53 56.800 55.649 1.151 1 1 541 . 5 1 1 A 53 53 ARG CB C 53 30.700 30.177 0.523 1 1 544 . 5 1 1 A 53 53 ARG N N 53 121.000 123.467 -2.467 1 1 545 . 5 1 1 A 54 54 THR H H 54 8.140 8.331 -0.191 1 1 546 . 5 1 1 A 54 54 THR HA H 54 4.340 4.209 0.131 1 1 551 . 5 1 1 A 54 54 THR CA C 54 61.900 64.271 -2.371 1 1 552 . 5 1 1 A 54 54 THR CB C 54 69.600 69.031 0.569 1 1 554 . 5 1 1 A 54 54 THR N N 54 113.100 121.656 -8.556 1 1 555 . 5 1 1 A 64 64 TYR H H 64 8.220 8.591 -0.371 1 1 556 . 5 1 1 A 64 64 TYR HA H 64 3.360 3.940 -0.580 1 1 563 . 5 1 1 A 64 64 TYR CA C 64 61.600 61.906 -0.306 1 1 564 . 5 1 1 A 64 64 TYR CB C 64 37.700 38.603 -0.903 1 1 567 . 5 1 1 A 64 64 TYR N N 64 120.700 119.750 0.950 1 1 568 . 5 1 1 A 65 65 ARG H H 65 8.340 8.152 0.188 1 1 569 . 5 1 1 A 65 65 ARG HA H 65 3.930 3.701 0.229 1 1 576 . 5 1 1 A 65 65 ARG CA C 65 59.600 59.421 0.179 1 1 577 . 5 1 1 A 65 65 ARG CB C 65 30.100 30.126 -0.026 1 1 580 . 5 1 1 A 65 65 ARG N N 65 119.200 117.529 1.671 1 1 581 . 5 1 1 A 66 66 ALA H H 66 7.790 7.813 -0.023 1 1 582 . 5 1 1 A 66 66 ALA HA H 66 4.090 4.109 -0.019 1 1 586 . 5 1 1 A 66 66 ALA CA C 66 54.700 54.904 -0.204 1 1 587 . 5 1 1 A 66 66 ALA CB C 66 18.100 18.208 -0.108 1 1 588 . 5 1 1 A 66 66 ALA N N 66 121.900 121.870 0.030 1 1 589 . 5 1 1 A 67 67 ALA H H 67 7.550 7.299 0.251 1 1 590 . 5 1 1 A 67 67 ALA HA H 67 2.940 4.089 -1.149 1 1 594 . 5 1 1 A 67 67 ALA CA C 67 54.300 54.970 -0.670 1 1 595 . 5 1 1 A 67 67 ALA CB C 67 18.000 18.370 -0.370 1 1 596 . 5 1 1 A 67 67 ALA N N 67 123.000 119.882 3.118 1 1 597 . 5 1 1 A 68 68 ASP H H 68 8.320 8.129 0.191 1 1 598 . 5 1 1 A 68 68 ASP HA H 68 4.100 3.969 0.131 1 1 601 . 5 1 1 A 68 68 ASP CA C 68 56.800 56.869 -0.069 1 1 602 . 5 1 1 A 68 68 ASP CB C 68 41.400 40.807 0.593 1 1 603 . 5 1 1 A 68 68 ASP N N 68 118.100 118.240 -0.140 1 1 604 . 5 1 1 A 69 69 ALA H H 69 7.790 8.479 -0.689 1 1 605 . 5 1 1 A 69 69 ALA HA H 69 4.010 4.020 -0.010 1 1 609 . 5 1 1 A 69 69 ALA CA C 69 55.000 54.758 0.242 1 1 610 . 5 1 1 A 69 69 ALA CB C 69 17.600 18.305 -0.705 1 1 611 . 5 1 1 A 69 69 ALA N N 69 121.200 120.910 0.290 1 1 612 . 5 1 1 A 70 70 ALA H H 70 7.490 8.065 -0.575 1 1 613 . 5 1 1 A 70 70 ALA HA H 70 4.070 4.252 -0.182 1 1 617 . 5 1 1 A 70 70 ALA CA C 70 54.500 54.855 -0.355 1 1 618 . 5 1 1 A 70 70 ALA CB C 70 17.900 17.734 0.166 1 1 619 . 5 1 1 A 70 70 ALA N N 70 121.200 119.884 1.316 1 1 620 . 5 1 1 A 71 71 ALA H H 71 8.620 7.811 0.809 1 1 621 . 5 1 1 A 71 71 ALA HA H 71 3.660 3.945 -0.285 1 1 625 . 5 1 1 A 71 71 ALA CA C 71 55.300 55.330 -0.030 1 1 626 . 5 1 1 A 71 71 ALA CB C 71 17.800 18.086 -0.286 1 1 627 . 5 1 1 A 71 71 ALA N N 71 121.600 120.504 1.096 1 1 628 . 5 1 1 A 72 72 GLN H H 72 8.700 7.956 0.744 1 1 629 . 5 1 1 A 72 72 GLN HA H 72 4.080 4.080 0.000 1 1 636 . 5 1 1 A 72 72 GLN CA C 72 59.000 58.547 0.453 1 1 637 . 5 1 1 A 72 72 GLN CB C 72 28.000 28.354 -0.354 1 1 639 . 5 1 1 A 72 72 GLN N N 72 118.600 117.005 1.595 1 1 641 . 5 1 1 A 73 73 GLU H H 73 7.640 8.482 -0.842 1 1 642 . 5 1 1 A 73 73 GLU HA H 73 4.080 4.082 -0.002 1 1 647 . 5 1 1 A 73 73 GLU CA C 73 58.800 59.090 -0.290 1 1 648 . 5 1 1 A 73 73 GLU CB C 73 29.600 29.408 0.192 1 1 650 . 5 1 1 A 73 73 GLU N N 73 119.000 120.837 -1.837 1 1 651 . 5 1 1 A 74 74 GLN H H 74 7.400 7.717 -0.317 1 1 652 . 5 1 1 A 74 74 GLN HA H 74 4.470 4.350 0.120 1 1 659 . 5 1 1 A 74 74 GLN CA C 74 55.000 55.493 -0.493 1 1 660 . 5 1 1 A 74 74 GLN CB C 74 30.900 28.994 1.906 1 1 662 . 5 1 1 A 74 74 GLN N N 74 114.600 116.573 -1.973 1 1 664 . 5 1 1 A 75 75 GLY H H 75 7.830 8.216 -0.386 1 1 665 . 5 1 1 A 75 75 GLY HA2 H 75 3.950 3.900 0.050 1 1 666 . 5 1 1 A 75 75 GLY HA3 H 75 3.870 3.902 -0.032 1 1 667 . 5 1 1 A 75 75 GLY CA C 75 46.500 46.069 0.431 1 1 668 . 5 1 1 A 75 75 GLY N N 75 109.300 108.466 0.834 1 1 669 . 5 1 1 A 76 76 LEU H H 76 8.110 8.420 -0.310 1 1 670 . 5 1 1 A 76 76 LEU HA H 76 4.650 4.880 -0.230 1 1 680 . 5 1 1 A 76 76 LEU CA C 76 52.500 53.107 -0.607 1 1 681 . 5 1 1 A 76 76 LEU CB C 76 45.700 44.984 0.716 1 1 685 . 5 1 1 A 76 76 LEU N N 76 119.300 121.465 -2.165 1 1 686 . 5 1 1 A 77 77 ASP H H 77 8.990 9.381 -0.391 1 1 687 . 5 1 1 A 77 77 ASP HA H 77 5.120 5.094 0.026 1 1 690 . 5 1 1 A 77 77 ASP CA C 77 52.600 52.798 -0.198 1 1 691 . 5 1 1 A 77 77 ASP CB C 77 44.600 44.423 0.177 1 1 692 . 5 1 1 A 77 77 ASP N N 77 117.600 118.166 -0.566 1 1 693 . 5 1 1 A 78 78 VAL H H 78 9.070 8.969 0.101 1 1 694 . 5 1 1 A 78 78 VAL HA H 78 4.090 4.120 -0.030 1 1 702 . 5 1 1 A 78 78 VAL CA C 78 63.900 63.194 0.706 1 1 703 . 5 1 1 A 78 78 VAL CB C 78 30.900 31.009 -0.109 1 1 706 . 5 1 1 A 78 78 VAL N N 78 121.900 121.008 0.892 1 1 707 . 5 1 1 A 79 79 VAL H H 79 8.360 9.011 -0.651 1 1 708 . 5 1 1 A 79 79 VAL HA H 79 4.300 4.648 -0.348 1 1 716 . 5 1 1 A 79 79 VAL CA C 79 59.500 62.201 -2.701 1 1 717 . 5 1 1 A 79 79 VAL CB C 79 32.600 32.782 -0.182 1 1 720 . 5 1 1 A 79 79 VAL N N 79 116.700 121.934 -5.234 1 1 721 . 5 1 1 A 80 80 GLY H H 80 6.970 7.168 -0.198 1 1 722 . 5 1 1 A 80 80 GLY HA2 H 80 4.380 4.186 0.194 1 1 723 . 5 1 1 A 80 80 GLY HA3 H 80 3.550 4.309 -0.759 1 1 724 . 5 1 1 A 80 80 GLY CA C 80 46.900 45.824 1.076 1 1 725 . 5 1 1 A 80 80 GLY N N 80 106.200 109.187 -2.987 1 1 726 . 5 1 1 A 81 81 VAL H H 81 8.510 8.668 -0.158 1 1 727 . 5 1 1 A 81 81 VAL HA H 81 4.900 5.000 -0.100 1 1 735 . 5 1 1 A 81 81 VAL CA C 81 59.400 60.201 -0.801 1 1 736 . 5 1 1 A 81 81 VAL CB C 81 37.600 35.246 2.354 1 1 739 . 5 1 1 A 81 81 VAL N N 81 116.200 119.587 -3.387 1 1 740 . 5 1 1 A 82 82 TYR H H 82 8.370 8.465 -0.095 1 1 741 . 5 1 1 A 82 82 TYR HA H 82 6.000 5.463 0.537 1 1 748 . 5 1 1 A 82 82 TYR CA C 82 54.900 56.773 -1.873 1 1 749 . 5 1 1 A 82 82 TYR CB C 82 42.800 42.201 0.599 1 1 752 . 5 1 1 A 82 82 TYR N N 82 118.100 127.341 -9.241 1 1 753 . 5 1 1 A 83 83 HIS H H 83 8.520 8.507 0.013 1 1 754 . 5 1 1 A 83 83 HIS HA H 83 5.150 4.985 0.165 1 1 759 . 5 1 1 A 83 83 HIS CA C 83 54.900 53.951 0.949 1 1 760 . 5 1 1 A 83 83 HIS CB C 83 33.200 32.529 0.671 1 1 763 . 5 1 1 A 83 83 HIS N N 83 115.400 120.807 -5.407 1 1 764 . 5 1 1 A 84 84 SER H H 84 9.060 9.015 0.045 1 1 765 . 5 1 1 A 84 84 SER HA H 84 5.590 5.371 0.219 1 1 768 . 5 1 1 A 84 84 SER CA C 84 55.800 56.215 -0.415 1 1 769 . 5 1 1 A 84 84 SER CB C 84 65.500 65.736 -0.236 1 1 770 . 5 1 1 A 84 84 SER N N 84 117.100 114.166 2.934 1 1 771 . 5 1 1 A 85 85 HIS H H 85 8.980 8.837 0.143 1 1 772 . 5 1 1 A 85 85 HIS HA H 85 4.830 5.345 -0.515 1 1 777 . 5 1 1 A 85 85 HIS CA C 85 50.400 54.123 -3.723 1 1 778 . 5 1 1 A 85 85 HIS CB C 85 32.000 34.256 -2.256 1 1 781 . 5 1 1 A 85 85 HIS N N 85 117.600 123.618 -6.018 1 1 782 . 5 1 1 A 86 86 PRO HA H 86 5.080 4.574 0.506 1 1 789 . 5 1 1 A 86 86 PRO CA C 86 62.400 62.177 0.223 1 1 790 . 5 1 1 A 86 86 PRO CB C 86 32.400 32.578 -0.178 1 1 793 . 5 1 1 A 87 87 ASP H H 87 10.300 8.924 1.376 1 1 794 . 5 1 1 A 87 87 ASP HA H 87 4.320 4.382 -0.062 1 1 797 . 5 1 1 A 87 87 ASP CA C 87 56.600 56.159 0.441 1 1 798 . 5 1 1 A 87 87 ASP CB C 87 39.600 40.261 -0.661 1 1 799 . 5 1 1 A 87 87 ASP N N 87 123.100 120.565 2.535 1 1 800 . 5 1 1 A 88 88 HIS H H 88 7.500 8.062 -0.562 1 1 801 . 5 1 1 A 88 88 HIS HA H 88 5.050 4.856 0.194 1 1 806 . 5 1 1 A 88 88 HIS CA C 88 54.700 53.955 0.745 1 1 807 . 5 1 1 A 88 88 HIS CB C 88 32.400 30.855 1.545 1 1 810 . 5 1 1 A 88 88 HIS N N 88 115.000 115.886 -0.886 1 1 811 . 5 1 1 A 89 89 PRO HA H 89 4.370 4.391 -0.021 1 1 818 . 5 1 1 A 89 89 PRO CA C 89 62.700 65.142 -2.442 1 1 819 . 5 1 1 A 89 89 PRO CB C 89 31.600 32.040 -0.440 1 1 822 . 5 1 1 A 90 90 ALA H H 90 8.020 8.340 -0.320 1 1 823 . 5 1 1 A 90 90 ALA HA H 90 4.290 4.611 -0.321 1 1 827 . 5 1 1 A 90 90 ALA CA C 90 50.800 51.339 -0.539 1 1 828 . 5 1 1 A 90 90 ALA CB C 90 16.600 19.592 -2.992 1 1 829 . 5 1 1 A 90 90 ALA N N 90 125.800 119.098 6.702 1 1 830 . 5 1 1 A 91 91 ARG H H 91 7.990 7.592 0.398 1 1 831 . 5 1 1 A 91 91 ARG HA H 91 4.300 4.286 0.014 1 1 838 . 5 1 1 A 91 91 ARG CA C 91 53.100 54.032 -0.932 1 1 839 . 5 1 1 A 91 91 ARG CB C 91 31.800 32.387 -0.587 1 1 842 . 5 1 1 A 91 91 ARG N N 91 121.900 115.396 6.504 1 1 843 . 5 1 1 A 92 92 PRO HA H 92 4.070 4.221 -0.151 1 1 850 . 5 1 1 A 92 92 PRO CA C 92 62.300 62.177 0.123 1 1 851 . 5 1 1 A 92 92 PRO CB C 92 32.500 32.704 -0.204 1 1 854 . 5 1 1 A 93 93 SER H H 93 9.960 8.275 1.685 1 1 855 . 5 1 1 A 93 93 SER HA H 93 4.630 4.754 -0.124 1 1 858 . 5 1 1 A 93 93 SER CA C 93 56.300 56.836 -0.536 1 1 859 . 5 1 1 A 93 93 SER CB C 93 66.500 67.028 -0.528 1 1 860 . 5 1 1 A 93 93 SER N N 93 121.800 114.211 7.589 1 1 861 . 5 1 1 A 94 94 ALA H H 94 8.880 8.741 0.139 1 1 862 . 5 1 1 A 94 94 ALA HA H 94 4.130 3.981 0.149 1 1 866 . 5 1 1 A 94 94 ALA CA C 94 55.400 55.459 -0.059 1 1 867 . 5 1 1 A 94 94 ALA CB C 94 18.000 18.211 -0.211 1 1 868 . 5 1 1 A 94 94 ALA N N 94 123.100 123.631 -0.531 1 1 869 . 5 1 1 A 95 95 THR H H 95 7.870 7.887 -0.017 1 1 870 . 5 1 1 A 95 95 THR HA H 95 3.920 3.934 -0.014 1 1 875 . 5 1 1 A 95 95 THR CA C 95 65.700 66.478 -0.778 1 1 876 . 5 1 1 A 95 95 THR CB C 95 68.400 68.611 -0.211 1 1 878 . 5 1 1 A 95 95 THR N N 95 114.300 113.760 0.540 1 1 879 . 5 1 1 A 96 96 ASP H H 96 7.420 8.282 -0.862 1 1 880 . 5 1 1 A 96 96 ASP HA H 96 4.230 4.185 0.045 1 1 883 . 5 1 1 A 96 96 ASP CA C 96 57.400 57.397 0.003 1 1 884 . 5 1 1 A 96 96 ASP CB C 96 40.100 41.969 -1.869 1 1 885 . 5 1 1 A 96 96 ASP N N 96 121.000 121.123 -0.123 1 1 886 . 5 1 1 A 97 97 LEU H H 97 7.490 7.990 -0.500 1 1 887 . 5 1 1 A 97 97 LEU HA H 97 4.000 4.281 -0.281 1 1 897 . 5 1 1 A 97 97 LEU CA C 97 57.600 57.908 -0.308 1 1 898 . 5 1 1 A 97 97 LEU CB C 97 41.400 41.488 -0.088 1 1 902 . 5 1 1 A 97 97 LEU N N 97 118.900 120.385 -1.485 1 1 903 . 5 1 1 A 98 98 GLU H H 98 7.690 7.891 -0.201 1 1 904 . 5 1 1 A 98 98 GLU HA H 98 3.900 3.919 -0.019 1 1 909 . 5 1 1 A 98 98 GLU CA C 98 58.700 59.791 -1.091 1 1 910 . 5 1 1 A 98 98 GLU CB C 98 29.600 29.280 0.320 1 1 912 . 5 1 1 A 98 98 GLU N N 98 119.100 118.919 0.181 1 1 913 . 5 1 1 A 99 99 GLU H H 99 7.500 8.039 -0.539 1 1 914 . 5 1 1 A 99 99 GLU HA H 99 4.200 4.208 -0.008 1 1 919 . 5 1 1 A 99 99 GLU CA C 99 56.100 58.144 -2.044 1 1 920 . 5 1 1 A 99 99 GLU CB C 99 30.000 29.491 0.509 1 1 922 . 5 1 1 A 99 99 GLU N N 99 114.300 118.355 -4.055 1 1 923 . 5 1 1 A 100 100 ALA H H 100 7.400 7.549 -0.149 1 1 924 . 5 1 1 A 100 100 ALA HA H 100 4.620 3.879 0.741 1 1 928 . 5 1 1 A 100 100 ALA CA C 100 52.000 51.053 0.947 1 1 929 . 5 1 1 A 100 100 ALA CB C 100 18.100 16.901 1.199 1 1 930 . 5 1 1 A 100 100 ALA N N 100 125.900 122.605 3.295 1 1 931 . 5 1 1 A 101 101 THR H H 101 7.790 8.092 -0.302 1 1 932 . 5 1 1 A 101 101 THR HA H 101 4.050 4.502 -0.452 1 1 937 . 5 1 1 A 101 101 THR CA C 101 61.200 62.208 -1.008 1 1 938 . 5 1 1 A 101 101 THR CB C 101 68.900 68.865 0.035 1 1 940 . 5 1 1 A 101 101 THR N N 101 111.700 117.005 -5.305 1 1 941 . 5 1 1 A 102 102 PHE H H 102 7.320 7.018 0.302 1 1 942 . 5 1 1 A 102 102 PHE HA H 102 4.750 5.044 -0.294 1 1 950 . 5 1 1 A 102 102 PHE CA C 102 54.300 54.643 -0.343 1 1 951 . 5 1 1 A 102 102 PHE CB C 102 38.200 39.303 -1.103 1 1 955 . 5 1 1 A 102 102 PHE N N 102 120.200 117.881 2.319 1 1 956 . 5 1 1 A 103 103 PRO HA H 103 4.480 4.758 -0.278 1 1 963 . 5 1 1 A 103 103 PRO CA C 103 64.100 62.663 1.437 1 1 964 . 5 1 1 A 103 103 PRO CB C 103 32.000 30.092 1.908 1 1 967 . 5 1 1 A 104 104 GLY H H 104 8.920 8.174 0.746 1 1 968 . 5 1 1 A 104 104 GLY HA2 H 104 4.270 3.950 0.320 1 1 969 . 5 1 1 A 104 104 GLY HA3 H 104 4.160 4.067 0.093 1 1 970 . 5 1 1 A 104 104 GLY CA C 104 45.600 45.565 0.035 1 1 971 . 5 1 1 A 104 104 GLY N N 104 109.600 110.212 -0.612 1 1 972 . 5 1 1 A 105 105 PHE H H 105 7.250 8.057 -0.807 1 1 973 . 5 1 1 A 105 105 PHE HA H 105 4.930 5.165 -0.235 1 1 981 . 5 1 1 A 105 105 PHE CA C 105 54.900 56.462 -1.562 1 1 982 . 5 1 1 A 105 105 PHE CB C 105 39.400 43.213 -3.813 1 1 986 . 5 1 1 A 105 105 PHE N N 105 120.100 118.336 1.764 1 1 987 . 5 1 1 A 106 106 THR H H 106 8.110 8.907 -0.797 1 1 988 . 5 1 1 A 106 106 THR HA H 106 4.840 4.921 -0.081 1 1 993 . 5 1 1 A 106 106 THR CA C 106 64.400 62.408 1.992 1 1 994 . 5 1 1 A 106 106 THR CB C 106 70.500 70.054 0.446 1 1 996 . 5 1 1 A 106 106 THR N N 106 118.600 116.566 2.034 1 1 997 . 5 1 1 A 107 107 TYR H H 107 9.660 9.365 0.295 1 1 998 . 5 1 1 A 107 107 TYR HA H 107 5.150 5.588 -0.438 1 1 1005 . 5 1 1 A 107 107 TYR CA C 107 56.900 57.091 -0.191 1 1 1006 . 5 1 1 A 107 107 TYR CB C 107 38.900 40.290 -1.390 1 1 1009 . 5 1 1 A 107 107 TYR N N 107 126.600 126.443 0.157 1 1 1010 . 5 1 1 A 108 108 VAL H H 108 9.270 9.225 0.045 1 1 1011 . 5 1 1 A 108 108 VAL HA H 108 5.220 4.748 0.472 1 1 1019 . 5 1 1 A 108 108 VAL CA C 108 60.800 62.281 -1.481 1 1 1020 . 5 1 1 A 108 108 VAL CB C 108 33.500 32.816 0.684 1 1 1023 . 5 1 1 A 108 108 VAL N N 108 124.400 124.107 0.293 1 1 1024 . 5 1 1 A 109 109 ILE H H 109 9.300 9.440 -0.140 1 1 1025 . 5 1 1 A 109 109 ILE HA H 109 5.150 4.700 0.450 1 1 1035 . 5 1 1 A 109 109 ILE CA C 109 58.000 59.719 -1.719 1 1 1036 . 5 1 1 A 109 109 ILE CB C 109 39.600 39.178 0.422 1 1 1040 . 5 1 1 A 109 109 ILE N N 109 128.500 129.155 -0.655 1 1 1041 . 5 1 1 A 110 110 VAL H H 110 7.910 8.648 -0.738 1 1 1042 . 5 1 1 A 110 110 VAL HA H 110 5.650 4.974 0.676 1 1 1050 . 5 1 1 A 110 110 VAL CA C 110 56.800 59.757 -2.957 1 1 1051 . 5 1 1 A 110 110 VAL CB C 110 35.400 34.335 1.065 1 1 1054 . 5 1 1 A 110 110 VAL N N 110 122.600 129.431 -6.831 1 1 1055 . 5 1 1 A 111 111 SER H H 111 9.390 9.291 0.099 1 1 1056 . 5 1 1 A 111 111 SER HA H 111 4.850 4.858 -0.008 1 1 1059 . 5 1 1 A 111 111 SER CA C 111 57.700 57.079 0.621 1 1 1060 . 5 1 1 A 111 111 SER CB C 111 64.500 63.459 1.041 1 1 1061 . 5 1 1 A 111 111 SER N N 111 124.700 124.456 0.244 1 1 1062 . 5 1 1 A 112 112 VAL H H 112 7.850 8.806 -0.956 1 1 1063 . 5 1 1 A 112 112 VAL HA H 112 4.530 4.811 -0.281 1 1 1071 . 5 1 1 A 112 112 VAL CA C 112 61.000 61.069 -0.069 1 1 1072 . 5 1 1 A 112 112 VAL CB C 112 33.800 33.301 0.499 1 1 1075 . 5 1 1 A 112 112 VAL N N 112 126.100 128.093 -1.993 1 1 1076 . 5 1 1 A 113 113 ARG H H 113 8.620 9.313 -0.693 1 1 1077 . 5 1 1 A 113 113 ARG HA H 113 5.020 4.341 0.679 1 1 1084 . 5 1 1 A 113 113 ARG CA C 113 54.100 55.556 -1.456 1 1 1085 . 5 1 1 A 113 113 ARG CB C 113 31.500 29.432 2.068 1 1 1088 . 5 1 1 A 113 113 ARG N N 113 128.800 126.470 2.330 1 1 1089 . 5 1 1 A 114 114 ASP H H 114 9.650 8.273 1.377 1 1 1090 . 5 1 1 A 114 114 ASP HA H 114 4.370 4.267 0.103 1 1 1093 . 5 1 1 A 114 114 ASP CA C 114 55.100 54.899 0.201 1 1 1094 . 5 1 1 A 114 114 ASP CB C 114 39.800 39.703 0.097 1 1 1095 . 5 1 1 A 114 114 ASP N N 114 128.100 118.581 9.519 1 1 1096 . 5 1 1 A 115 115 GLY H H 115 8.350 8.204 0.146 1 1 1097 . 5 1 1 A 115 115 GLY HA2 H 115 3.980 3.768 0.212 1 1 1098 . 5 1 1 A 115 115 GLY HA3 H 115 2.460 3.784 -1.324 1 1 1099 . 5 1 1 A 115 115 GLY CA C 115 45.500 45.276 0.224 1 1 1100 . 5 1 1 A 115 115 GLY N N 115 109.900 106.976 2.924 1 1 1101 . 5 1 1 A 116 116 ALA H H 116 7.610 7.564 0.046 1 1 1102 . 5 1 1 A 116 116 ALA HA H 116 4.920 4.555 0.365 1 1 1106 . 5 1 1 A 116 116 ALA CA C 116 48.200 49.119 -0.919 1 1 1107 . 5 1 1 A 116 116 ALA CB C 116 19.600 20.880 -1.280 1 1 1108 . 5 1 1 A 116 116 ALA N N 116 123.900 123.895 0.005 1 1 1109 . 5 1 1 A 117 117 PRO HA H 117 4.670 4.752 -0.082 1 1 1116 . 5 1 1 A 117 117 PRO CA C 117 62.900 62.594 0.306 1 1 1117 . 5 1 1 A 117 117 PRO CB C 117 31.500 31.990 -0.490 1 1 1120 . 5 1 1 A 118 118 GLU H H 118 8.900 9.305 -0.405 1 1 1121 . 5 1 1 A 118 118 GLU HA H 118 4.540 4.467 0.073 1 1 1126 . 5 1 1 A 118 118 GLU CA C 118 56.200 58.181 -1.981 1 1 1127 . 5 1 1 A 118 118 GLU CB C 118 30.500 31.032 -0.532 1 1 1129 . 5 1 1 A 118 118 GLU N N 118 127.400 123.253 4.147 1 1 1130 . 5 1 1 A 119 119 ALA H H 119 8.060 7.777 0.283 1 1 1131 . 5 1 1 A 119 119 ALA HA H 119 4.460 4.710 -0.250 1 1 1135 . 5 1 1 A 119 119 ALA CA C 119 52.600 51.213 1.387 1 1 1136 . 5 1 1 A 119 119 ALA CB C 119 21.000 23.296 -2.296 1 1 1137 . 5 1 1 A 119 119 ALA N N 119 123.500 119.690 3.810 1 1 1138 . 5 1 1 A 120 120 LEU H H 120 8.170 8.876 -0.706 1 1 1139 . 5 1 1 A 120 120 LEU HA H 120 5.400 5.382 0.018 1 1 1149 . 5 1 1 A 120 120 LEU CA C 120 55.000 53.250 1.750 1 1 1150 . 5 1 1 A 120 120 LEU CB C 120 45.300 45.330 -0.030 1 1 1154 . 5 1 1 A 120 120 LEU N N 120 123.500 121.567 1.933 1 1 1155 . 5 1 1 A 121 121 THR H H 121 9.450 9.068 0.382 1 1 1156 . 5 1 1 A 121 121 THR HA H 121 4.520 5.084 -0.564 1 1 1161 . 5 1 1 A 121 121 THR CA C 121 58.700 60.050 -1.350 1 1 1162 . 5 1 1 A 121 121 THR CB C 121 72.100 71.513 0.587 1 1 1164 . 5 1 1 A 121 121 THR N N 121 117.400 117.060 0.340 1 1 1165 . 5 1 1 A 122 122 ALA H H 122 8.620 8.674 -0.054 1 1 1166 . 5 1 1 A 122 122 ALA HA H 122 5.370 5.610 -0.240 1 1 1170 . 5 1 1 A 122 122 ALA CA C 122 50.400 49.978 0.422 1 1 1171 . 5 1 1 A 122 122 ALA CB C 122 21.900 22.215 -0.315 1 1 1172 . 5 1 1 A 122 122 ALA N N 122 123.400 124.706 -1.306 1 1 1173 . 5 1 1 A 123 123 TRP H H 123 8.740 9.641 -0.901 1 1 1174 . 5 1 1 A 123 123 TRP HA H 123 5.090 5.428 -0.338 1 1 1183 . 5 1 1 A 123 123 TRP CA C 123 56.700 56.410 0.290 1 1 1184 . 5 1 1 A 123 123 TRP CB C 123 33.300 33.673 -0.373 1 1 1190 . 5 1 1 A 123 123 TRP N N 123 118.700 121.300 -2.600 1 1 1192 . 5 1 1 A 124 124 ALA H H 124 9.570 9.637 -0.067 1 1 1193 . 5 1 1 A 124 124 ALA HA H 124 5.360 5.411 -0.051 1 1 1197 . 5 1 1 A 124 124 ALA CA C 124 50.300 50.339 -0.039 1 1 1198 . 5 1 1 A 124 124 ALA CB C 124 22.600 21.322 1.278 1 1 1199 . 5 1 1 A 124 124 ALA N N 124 123.200 124.805 -1.605 1 1 1200 . 5 1 1 A 125 125 LEU H H 125 9.830 8.948 0.882 1 1 1201 . 5 1 1 A 125 125 LEU HA H 125 4.190 4.230 -0.040 1 1 1211 . 5 1 1 A 125 125 LEU CA C 125 54.700 54.660 0.040 1 1 1212 . 5 1 1 A 125 125 LEU CB C 125 44.000 43.132 0.868 1 1 1216 . 5 1 1 A 125 125 LEU N N 125 125.000 125.550 -0.550 1 1 1217 . 5 1 1 A 126 126 ALA H H 126 8.310 8.590 -0.280 1 1 1218 . 5 1 1 A 126 126 ALA HA H 126 4.460 4.449 0.011 1 1 1222 . 5 1 1 A 126 126 ALA CA C 126 51.100 50.715 0.385 1 1 1223 . 5 1 1 A 126 126 ALA CB C 126 18.300 17.943 0.357 1 1 1224 . 5 1 1 A 126 126 ALA N N 126 127.000 129.287 -2.287 1 1 1225 . 5 1 1 A 127 127 PRO HA H 127 4.340 4.388 -0.048 1 1 1232 . 5 1 1 A 127 127 PRO CA C 127 65.400 64.588 0.812 1 1 1233 . 5 1 1 A 127 127 PRO CB C 127 31.800 31.969 -0.169 1 1 1236 . 5 1 1 A 128 128 ASP H H 128 7.680 8.020 -0.340 1 1 1237 . 5 1 1 A 128 128 ASP HA H 128 4.550 4.854 -0.304 1 1 1240 . 5 1 1 A 128 128 ASP CA C 128 52.900 52.917 -0.017 1 1 1241 . 5 1 1 A 128 128 ASP CB C 128 39.600 41.061 -1.461 1 1 1242 . 5 1 1 A 128 128 ASP N N 128 113.100 116.438 -3.338 1 1 1243 . 5 1 1 A 129 129 ARG H H 129 8.500 8.155 0.345 1 1 1244 . 5 1 1 A 129 129 ARG HA H 129 3.500 3.835 -0.335 1 1 1251 . 5 1 1 A 129 129 ARG CA C 129 57.600 56.861 0.739 1 1 1252 . 5 1 1 A 129 129 ARG CB C 129 26.900 27.834 -0.934 1 1 1255 . 5 1 1 A 129 129 ARG N N 129 113.100 120.017 -6.917 1 1 1256 . 5 1 1 A 130 130 SER H H 130 8.050 8.095 -0.045 1 1 1257 . 5 1 1 A 130 130 SER HA H 130 4.020 4.310 -0.290 1 1 1260 . 5 1 1 A 130 130 SER CA C 130 60.100 61.136 -1.036 1 1 1261 . 5 1 1 A 130 130 SER CB C 130 63.600 63.792 -0.192 1 1 1262 . 5 1 1 A 130 130 SER N N 130 111.100 114.415 -3.315 1 1 1263 . 5 1 1 A 131 131 GLU H H 131 7.060 7.570 -0.510 1 1 1264 . 5 1 1 A 131 131 GLU HA H 131 4.420 4.452 -0.032 1 1 1269 . 5 1 1 A 131 131 GLU CA C 131 54.400 55.268 -0.868 1 1 1270 . 5 1 1 A 131 131 GLU CB C 131 31.800 31.198 0.602 1 1 1272 . 5 1 1 A 131 131 GLU N N 131 114.400 113.992 0.408 1 1 1273 . 5 1 1 A 132 132 PHE H H 132 8.740 8.640 0.100 1 1 1274 . 5 1 1 A 132 132 PHE HA H 132 5.390 5.418 -0.028 1 1 1282 . 5 1 1 A 132 132 PHE CA C 132 57.200 56.249 0.951 1 1 1283 . 5 1 1 A 132 132 PHE CB C 132 42.900 41.512 1.388 1 1 1287 . 5 1 1 A 132 132 PHE N N 132 117.300 117.756 -0.456 1 1 1288 . 5 1 1 A 133 133 HIS H H 133 9.870 9.611 0.259 1 1 1289 . 5 1 1 A 133 133 HIS HA H 133 5.380 5.304 0.076 1 1 1294 . 5 1 1 A 133 133 HIS CA C 133 53.300 54.633 -1.333 1 1 1295 . 5 1 1 A 133 133 HIS CB C 133 32.700 33.111 -0.411 1 1 1298 . 5 1 1 A 133 133 HIS N N 133 117.900 119.417 -1.517 1 1 1299 . 5 1 1 A 134 134 ARG H H 134 9.080 8.806 0.274 1 1 1300 . 5 1 1 A 134 134 ARG HA H 134 3.500 4.160 -0.660 1 1 1307 . 5 1 1 A 134 134 ARG CA C 134 57.100 56.466 0.634 1 1 1308 . 5 1 1 A 134 134 ARG CB C 134 30.100 30.944 -0.844 1 1 1311 . 5 1 1 A 134 134 ARG N N 134 125.600 124.163 1.437 1 1 1312 . 5 1 1 A 135 135 GLU H H 135 8.410 8.365 0.045 1 1 1313 . 5 1 1 A 135 135 GLU HA H 135 4.550 5.072 -0.522 1 1 1318 . 5 1 1 A 135 135 GLU CA C 135 54.000 54.413 -0.413 1 1 1319 . 5 1 1 A 135 135 GLU CB C 135 33.000 33.405 -0.405 1 1 1321 . 5 1 1 A 135 135 GLU N N 135 128.500 126.158 2.342 1 1 1322 . 5 1 1 A 136 136 ASP H H 136 8.480 8.899 -0.419 1 1 1323 . 5 1 1 A 136 136 ASP HA H 136 4.460 5.163 -0.703 1 1 1326 . 5 1 1 A 136 136 ASP CA C 136 54.700 53.169 1.531 1 1 1327 . 5 1 1 A 136 136 ASP CB C 136 41.500 43.137 -1.637 1 1 1328 . 5 1 1 A 136 136 ASP N N 136 124.300 123.074 1.226 1 1 1329 . 5 1 1 A 137 137 ILE H H 137 8.340 8.725 -0.385 1 1 1330 . 5 1 1 A 137 137 ILE HA H 137 4.570 4.796 -0.226 1 1 1340 . 5 1 1 A 137 137 ILE CA C 137 61.400 60.149 1.251 1 1 1341 . 5 1 1 A 137 137 ILE CB C 137 38.600 39.576 -0.976 1 1 1345 . 5 1 1 A 137 137 ILE N N 137 121.100 125.701 -4.601 1 1 1346 . 5 1 1 A 138 138 VAL H H 138 8.730 8.946 -0.216 1 1 1347 . 5 1 1 A 138 138 VAL HA H 138 4.570 4.954 -0.384 1 1 1355 . 5 1 1 A 138 138 VAL CA C 138 59.800 59.340 0.460 1 1 1356 . 5 1 1 A 138 138 VAL CB C 138 34.700 34.265 0.435 1 1 1359 . 5 1 1 A 138 138 VAL N N 138 125.100 123.057 2.043 1 1 1360 . 5 1 1 A 139 139 ARG H H 139 8.390 8.671 -0.281 1 1 1361 . 5 1 1 A 139 139 ARG HA H 139 5.210 4.616 0.594 1 1 1368 . 5 1 1 A 139 139 ARG CA C 139 53.500 53.625 -0.125 1 1 1369 . 5 1 1 A 139 139 ARG CB C 139 30.100 31.813 -1.713 1 1 1372 . 5 1 1 A 139 139 ARG N N 139 122.800 124.260 -1.460 1 1 1373 . 5 1 1 A 140 140 PRO HA H 140 4.380 4.421 -0.041 1 1 1380 . 5 1 1 A 140 140 PRO CA C 140 62.400 63.526 -1.126 1 1 1381 . 5 1 1 A 140 140 PRO CB C 140 32.000 32.288 -0.288 1 1 1384 . 5 1 1 A 141 141 ASP H H 141 8.520 8.320 0.200 1 1 1385 . 5 1 1 A 141 141 ASP HA H 141 4.780 5.321 -0.541 1 1 1388 . 5 1 1 A 141 141 ASP CA C 141 54.500 51.637 2.863 1 1 1389 . 5 1 1 A 141 141 ASP CB C 141 40.600 42.359 -1.759 1 1 1390 . 5 1 1 A 141 141 ASP N N 141 122.200 119.190 3.010 1 1 1391 . 5 1 1 A 142 142 PRO HA H 142 4.380 4.504 -0.124 1 1 1398 . 5 1 1 A 142 142 PRO CA C 142 63.500 63.961 -0.461 1 1 1399 . 5 1 1 A 142 142 PRO CB C 142 32.000 32.517 -0.517 1 1 1402 . 5 1 1 A 143 143 GLU H H 143 8.460 8.145 0.315 1 1 1403 . 5 1 1 A 143 143 GLU HA H 143 4.260 4.558 -0.298 1 1 1408 . 5 1 1 A 143 143 GLU CA C 143 56.000 56.124 -0.124 1 1 1409 . 5 1 1 A 143 143 GLU CB C 143 30.000 30.884 -0.884 1 1 1411 . 5 1 1 A 143 143 GLU N N 143 119.500 119.412 0.088 1 1 1412 . 5 1 1 A 144 144 ALA H H 144 8.030 7.404 0.626 1 1 1413 . 5 1 1 A 144 144 ALA HA H 144 4.590 4.469 0.121 1 1 1417 . 5 1 1 A 144 144 ALA CA C 144 50.300 50.270 0.030 1 1 1418 . 5 1 1 A 144 144 ALA CB C 144 18.300 19.395 -1.095 1 1 1419 . 5 1 1 A 144 144 ALA N N 144 125.800 124.277 1.523 1 1 1420 . 5 1 1 A 145 145 PRO HA H 145 4.400 4.832 -0.432 1 1 1427 . 5 1 1 A 145 145 PRO CA C 145 62.900 62.587 0.313 1 1 1428 . 5 1 1 A 145 145 PRO CB C 145 32.000 32.100 -0.100 1 1 1431 . 5 1 1 A 146 146 LEU H H 146 8.330 8.331 -0.001 1 1 1432 . 5 1 1 A 146 146 LEU HA H 146 4.230 4.623 -0.393 1 1 1442 . 5 1 1 A 146 146 LEU CA C 146 55.100 53.273 1.827 1 1 1443 . 5 1 1 A 146 146 LEU CB C 146 42.200 43.598 -1.398 1 1 1447 . 5 1 1 A 146 146 LEU N N 146 122.100 118.416 3.684 1 1 1448 . 5 1 1 A 147 147 GLU H H 147 8.300 8.510 -0.210 1 1 1449 . 5 1 1 A 147 147 GLU HA H 147 4.220 4.514 -0.294 1 1 1454 . 5 1 1 A 147 147 GLU CA C 147 56.200 56.044 0.156 1 1 1455 . 5 1 1 A 147 147 GLU CB C 147 30.300 30.232 0.068 1 1 13 . 6 1 1 A 2 2 LYS H H 2 9.020 8.417 0.603 1 1 14 . 6 1 1 A 2 2 LYS HA H 2 5.640 5.648 -0.008 1 1 23 . 6 1 1 A 2 2 LYS CA C 2 53.700 55.111 -1.411 1 1 24 . 6 1 1 A 2 2 LYS CB C 2 34.900 33.430 1.470 1 1 28 . 6 1 1 A 2 2 LYS N N 2 125.700 126.321 -0.621 1 1 29 . 6 1 1 A 3 3 THR H H 3 8.850 8.589 0.261 1 1 30 . 6 1 1 A 3 3 THR HA H 3 4.660 4.710 -0.050 1 1 36 . 6 1 1 A 3 3 THR CA C 3 61.600 60.367 1.233 1 1 37 . 6 1 1 A 3 3 THR CB C 3 68.200 70.153 -1.953 1 1 39 . 6 1 1 A 3 3 THR N N 3 117.000 116.854 0.146 1 1 40 . 6 1 1 A 4 4 THR H H 4 8.100 8.262 -0.162 1 1 41 . 6 1 1 A 4 4 THR HA H 4 4.790 4.931 -0.141 1 1 46 . 6 1 1 A 4 4 THR CA C 4 58.500 58.963 -0.463 1 1 47 . 6 1 1 A 4 4 THR CB C 4 68.400 69.459 -1.059 1 1 49 . 6 1 1 A 4 4 THR N N 4 110.200 115.664 -5.464 1 1 50 . 6 1 1 A 5 5 PRO HA H 5 4.110 4.217 -0.107 1 1 57 . 6 1 1 A 5 5 PRO CA C 5 65.300 65.513 -0.213 1 1 58 . 6 1 1 A 5 5 PRO CB C 5 31.800 31.609 0.191 1 1 61 . 6 1 1 A 6 6 ASP H H 6 8.530 8.389 0.141 1 1 62 . 6 1 1 A 6 6 ASP HA H 6 4.350 4.409 -0.059 1 1 65 . 6 1 1 A 6 6 ASP CA C 6 56.300 57.058 -0.758 1 1 66 . 6 1 1 A 6 6 ASP CB C 6 39.500 41.814 -2.314 1 1 67 . 6 1 1 A 6 6 ASP N N 6 114.600 117.285 -2.685 1 1 68 . 6 1 1 A 7 7 ILE H H 7 7.270 7.544 -0.274 1 1 69 . 6 1 1 A 7 7 ILE HA H 7 3.620 3.680 -0.060 1 1 79 . 6 1 1 A 7 7 ILE CA C 7 61.900 64.578 -2.678 1 1 80 . 6 1 1 A 7 7 ILE CB C 7 34.900 37.689 -2.789 1 1 84 . 6 1 1 A 7 7 ILE N N 7 121.700 119.767 1.933 1 1 85 . 6 1 1 A 8 8 LEU H H 8 6.960 8.082 -1.122 1 1 86 . 6 1 1 A 8 8 LEU HA H 8 3.710 3.822 -0.112 1 1 96 . 6 1 1 A 8 8 LEU CA C 8 57.800 58.019 -0.219 1 1 97 . 6 1 1 A 8 8 LEU CB C 8 39.900 41.251 -1.351 1 1 101 . 6 1 1 A 8 8 LEU N N 8 117.200 119.992 -2.792 1 1 102 . 6 1 1 A 9 9 ASP H H 9 8.220 8.448 -0.228 1 1 103 . 6 1 1 A 9 9 ASP HA H 9 4.330 4.199 0.131 1 1 106 . 6 1 1 A 9 9 ASP CA C 9 57.600 57.925 -0.325 1 1 107 . 6 1 1 A 9 9 ASP CB C 9 40.100 41.877 -1.777 1 1 108 . 6 1 1 A 9 9 ASP N N 9 117.600 119.349 -1.749 1 1 109 . 6 1 1 A 10 10 GLN H H 10 7.630 7.709 -0.079 1 1 110 . 6 1 1 A 10 10 GLN HA H 10 3.850 4.071 -0.221 1 1 117 . 6 1 1 A 10 10 GLN CA C 10 59.200 58.925 0.275 1 1 118 . 6 1 1 A 10 10 GLN CB C 10 29.300 28.265 1.035 1 1 120 . 6 1 1 A 10 10 GLN N N 10 118.700 117.983 0.717 1 1 122 . 6 1 1 A 11 11 ILE H H 11 7.590 8.194 -0.604 1 1 123 . 6 1 1 A 11 11 ILE HA H 11 2.960 3.455 -0.495 1 1 133 . 6 1 1 A 11 11 ILE CA C 11 65.800 65.264 0.536 1 1 134 . 6 1 1 A 11 11 ILE CB C 11 37.500 37.628 -0.128 1 1 138 . 6 1 1 A 11 11 ILE N N 11 121.700 120.979 0.721 1 1 139 . 6 1 1 A 12 12 ARG H H 12 7.720 7.781 -0.061 1 1 140 . 6 1 1 A 12 12 ARG HA H 12 3.610 4.012 -0.402 1 1 147 . 6 1 1 A 12 12 ARG CA C 12 61.300 58.880 2.420 1 1 148 . 6 1 1 A 12 12 ARG CB C 12 30.100 29.901 0.199 1 1 151 . 6 1 1 A 12 12 ARG N N 12 118.400 120.564 -2.164 1 1 152 . 6 1 1 A 13 13 VAL H H 13 8.480 8.319 0.161 1 1 153 . 6 1 1 A 13 13 VAL HA H 13 3.640 3.598 0.042 1 1 161 . 6 1 1 A 13 13 VAL CA C 13 66.400 66.528 -0.128 1 1 162 . 6 1 1 A 13 13 VAL CB C 13 31.600 31.651 -0.051 1 1 165 . 6 1 1 A 13 13 VAL N N 13 118.400 119.512 -1.112 1 1 166 . 6 1 1 A 14 14 HIS H H 14 7.790 8.517 -0.727 1 1 167 . 6 1 1 A 14 14 HIS HA H 14 4.620 4.371 0.249 1 1 172 . 6 1 1 A 14 14 HIS CA C 14 57.500 58.253 -0.753 1 1 173 . 6 1 1 A 14 14 HIS CB C 14 31.100 28.506 2.594 1 1 176 . 6 1 1 A 14 14 HIS N N 14 119.600 117.459 2.141 1 1 177 . 6 1 1 A 15 15 GLY H H 15 8.290 8.247 0.043 1 1 178 . 6 1 1 A 15 15 GLY HA2 H 15 3.400 3.736 -0.336 1 1 179 . 6 1 1 A 15 15 GLY HA3 H 15 3.620 3.791 -0.171 1 1 180 . 6 1 1 A 15 15 GLY CA C 15 47.800 47.258 0.542 1 1 181 . 6 1 1 A 15 15 GLY N N 15 104.200 107.435 -3.235 1 1 182 . 6 1 1 A 16 16 ALA H H 16 8.650 7.631 1.019 1 1 183 . 6 1 1 A 16 16 ALA HA H 16 3.940 4.017 -0.077 1 1 187 . 6 1 1 A 16 16 ALA CA C 16 55.500 54.501 0.999 1 1 188 . 6 1 1 A 16 16 ALA CB C 16 18.600 18.274 0.326 1 1 189 . 6 1 1 A 16 16 ALA N N 16 125.700 125.057 0.643 1 1 190 . 6 1 1 A 17 17 ASP H H 17 9.020 8.418 0.602 1 1 191 . 6 1 1 A 17 17 ASP HA H 17 4.420 4.395 0.025 1 1 194 . 6 1 1 A 17 17 ASP CA C 17 56.700 56.797 -0.097 1 1 195 . 6 1 1 A 17 17 ASP CB C 17 41.300 41.370 -0.070 1 1 196 . 6 1 1 A 17 17 ASP N N 17 119.300 119.420 -0.120 1 1 197 . 6 1 1 A 18 18 ALA H H 18 8.210 7.495 0.715 1 1 198 . 6 1 1 A 18 18 ALA HA H 18 4.180 4.246 -0.066 1 1 202 . 6 1 1 A 18 18 ALA CA C 18 53.100 54.413 -1.313 1 1 203 . 6 1 1 A 18 18 ALA CB C 18 19.000 19.118 -0.118 1 1 204 . 6 1 1 A 18 18 ALA N N 18 118.300 120.022 -1.722 1 1 205 . 6 1 1 A 19 19 TYR H H 19 7.080 7.786 -0.706 1 1 206 . 6 1 1 A 19 19 TYR HA H 19 4.190 4.679 -0.489 1 1 213 . 6 1 1 A 19 19 TYR CA C 19 58.300 57.429 0.871 1 1 214 . 6 1 1 A 19 19 TYR CB C 19 39.100 39.617 -0.517 1 1 217 . 6 1 1 A 19 19 TYR N N 19 118.200 121.787 -3.587 1 1 218 . 6 1 1 A 20 20 PRO HA H 20 2.690 2.869 -0.179 1 1 225 . 6 1 1 A 20 20 PRO CA C 20 63.300 63.102 0.198 1 1 226 . 6 1 1 A 20 20 PRO CB C 20 33.500 31.686 1.814 1 1 229 . 6 1 1 A 21 21 GLU H H 21 8.660 7.573 1.087 1 1 230 . 6 1 1 A 21 21 GLU HA H 21 4.420 4.401 0.019 1 1 235 . 6 1 1 A 21 21 GLU CA C 21 55.300 56.251 -0.951 1 1 236 . 6 1 1 A 21 21 GLU CB C 21 30.400 30.218 0.182 1 1 238 . 6 1 1 A 21 21 GLU N N 21 124.800 120.002 4.798 1 1 239 . 6 1 1 A 22 22 GLU H H 22 8.290 8.686 -0.396 1 1 240 . 6 1 1 A 22 22 GLU HA H 22 3.990 4.473 -0.483 1 1 245 . 6 1 1 A 22 22 GLU CA C 22 56.400 56.637 -0.237 1 1 246 . 6 1 1 A 22 22 GLU CB C 22 30.900 29.483 1.417 1 1 248 . 6 1 1 A 22 22 GLU N N 22 119.700 121.253 -1.553 1 1 249 . 6 1 1 A 23 23 GLY H H 23 8.770 8.803 -0.033 1 1 250 . 6 1 1 A 23 23 GLY HA2 H 23 2.430 3.964 -1.534 1 1 251 . 6 1 1 A 23 23 GLY HA3 H 23 4.270 4.004 0.266 1 1 252 . 6 1 1 A 23 23 GLY CA C 23 42.900 47.294 -4.394 1 1 253 . 6 1 1 A 23 23 GLY N N 23 112.400 110.056 2.344 1 1 254 . 6 1 1 A 24 24 CYS H H 24 8.580 7.928 0.652 1 1 255 . 6 1 1 A 24 24 CYS HA H 24 4.630 4.440 0.190 1 1 258 . 6 1 1 A 24 24 CYS CA C 24 54.900 60.813 -5.913 1 1 259 . 6 1 1 A 24 24 CYS CB C 24 31.300 26.602 4.698 1 1 260 . 6 1 1 A 24 24 CYS N N 24 118.100 115.567 2.533 1 1 261 . 6 1 1 A 25 25 GLY H H 25 6.730 8.255 -1.525 1 1 262 . 6 1 1 A 25 25 GLY HA2 H 25 3.650 3.592 0.058 1 1 263 . 6 1 1 A 25 25 GLY HA3 H 25 4.030 3.962 0.068 1 1 264 . 6 1 1 A 25 25 GLY CA C 25 45.900 45.623 0.277 1 1 265 . 6 1 1 A 25 25 GLY N N 25 104.600 109.567 -4.967 1 1 266 . 6 1 1 A 26 26 PHE H H 26 9.350 8.256 1.094 1 1 267 . 6 1 1 A 26 26 PHE HA H 26 5.130 5.214 -0.084 1 1 275 . 6 1 1 A 26 26 PHE CA C 26 56.900 56.590 0.310 1 1 276 . 6 1 1 A 26 26 PHE CB C 26 43.300 42.931 0.369 1 1 280 . 6 1 1 A 26 26 PHE N N 26 114.900 118.919 -4.019 1 1 281 . 6 1 1 A 27 27 LEU H H 27 8.320 9.648 -1.328 1 1 282 . 6 1 1 A 27 27 LEU HA H 27 4.590 5.193 -0.603 1 1 292 . 6 1 1 A 27 27 LEU CA C 27 52.900 53.869 -0.969 1 1 293 . 6 1 1 A 27 27 LEU CB C 27 41.200 42.692 -1.492 1 1 297 . 6 1 1 A 27 27 LEU N N 27 119.100 123.364 -4.264 1 1 298 . 6 1 1 A 28 28 LEU H H 28 9.050 8.886 0.164 1 1 299 . 6 1 1 A 28 28 LEU HA H 28 5.390 5.396 -0.006 1 1 309 . 6 1 1 A 28 28 LEU CA C 28 51.900 53.238 -1.338 1 1 310 . 6 1 1 A 28 28 LEU CB C 28 42.900 43.750 -0.850 1 1 314 . 6 1 1 A 28 28 LEU N N 28 123.500 124.970 -1.470 1 1 315 . 6 1 1 A 29 29 GLY H H 29 9.950 8.397 1.553 1 1 316 . 6 1 1 A 29 29 GLY HA2 H 29 5.270 4.292 0.978 1 1 317 . 6 1 1 A 29 29 GLY HA3 H 29 3.900 4.301 -0.401 1 1 318 . 6 1 1 A 29 29 GLY CA C 29 46.700 46.219 0.481 1 1 319 . 6 1 1 A 29 29 GLY N N 29 112.400 110.328 2.072 1 1 320 . 6 1 1 A 30 30 THR H H 30 8.810 8.345 0.465 1 1 321 . 6 1 1 A 30 30 THR HA H 30 4.810 5.438 -0.628 1 1 326 . 6 1 1 A 30 30 THR CA C 30 59.900 59.640 0.260 1 1 327 . 6 1 1 A 30 30 THR CB C 30 72.200 72.244 -0.044 1 1 329 . 6 1 1 A 30 30 THR N N 30 116.000 116.296 -0.296 1 1 330 . 6 1 1 A 31 31 VAL H H 31 8.530 8.875 -0.345 1 1 331 . 6 1 1 A 31 31 VAL HA H 31 4.830 5.017 -0.187 1 1 339 . 6 1 1 A 31 31 VAL CA C 31 61.900 61.020 0.880 1 1 340 . 6 1 1 A 31 31 VAL CB C 31 32.200 32.764 -0.564 1 1 343 . 6 1 1 A 31 31 VAL N N 31 124.200 123.930 0.270 1 1 344 . 6 1 1 A 32 32 THR H H 32 9.040 8.826 0.214 1 1 345 . 6 1 1 A 32 32 THR HA H 32 4.580 4.655 -0.075 1 1 350 . 6 1 1 A 32 32 THR CA C 32 61.200 60.652 0.548 1 1 351 . 6 1 1 A 32 32 THR CB C 32 70.700 71.349 -0.649 1 1 353 . 6 1 1 A 32 32 THR N N 32 118.900 120.153 -1.253 1 1 354 . 6 1 1 A 33 33 ASP H H 33 8.980 9.028 -0.048 1 1 355 . 6 1 1 A 33 33 ASP HA H 33 4.400 4.243 0.157 1 1 358 . 6 1 1 A 33 33 ASP CA C 33 56.800 57.895 -1.095 1 1 359 . 6 1 1 A 33 33 ASP CB C 33 40.100 40.722 -0.622 1 1 360 . 6 1 1 A 33 33 ASP N N 33 121.100 122.225 -1.125 1 1 361 . 6 1 1 A 34 34 ASP H H 34 7.960 8.304 -0.344 1 1 362 . 6 1 1 A 34 34 ASP HA H 34 4.640 4.634 0.006 1 1 365 . 6 1 1 A 34 34 ASP CA C 34 53.500 54.651 -1.151 1 1 366 . 6 1 1 A 34 34 ASP CB C 34 40.400 40.722 -0.322 1 1 367 . 6 1 1 A 34 34 ASP N N 34 115.400 116.628 -1.228 1 1 368 . 6 1 1 A 35 35 GLY H H 35 8.080 7.942 0.138 1 1 369 . 6 1 1 A 35 35 GLY HA2 H 35 3.590 3.892 -0.302 1 1 370 . 6 1 1 A 35 35 GLY HA3 H 35 4.200 3.895 0.305 1 1 371 . 6 1 1 A 35 35 GLY CA C 35 45.400 45.683 -0.283 1 1 372 . 6 1 1 A 35 35 GLY N N 35 108.400 108.642 -0.242 1 1 373 . 6 1 1 A 36 36 ASP H H 36 7.690 8.464 -0.774 1 1 374 . 6 1 1 A 36 36 ASP HA H 36 4.790 4.687 0.103 1 1 377 . 6 1 1 A 36 36 ASP CA C 36 51.900 54.004 -2.104 1 1 378 . 6 1 1 A 36 36 ASP CB C 36 42.300 41.348 0.952 1 1 379 . 6 1 1 A 36 36 ASP N N 36 120.100 120.811 -0.711 1 1 380 . 6 1 1 A 37 37 ASN H H 37 8.920 8.769 0.151 1 1 381 . 6 1 1 A 37 37 ASN HA H 37 5.180 5.040 0.140 1 1 386 . 6 1 1 A 37 37 ASN CA C 37 52.900 52.417 0.483 1 1 387 . 6 1 1 A 37 37 ASN CB C 37 38.800 39.079 -0.279 1 1 388 . 6 1 1 A 37 37 ASN N N 37 119.000 121.702 -2.702 1 1 390 . 6 1 1 A 38 38 ARG H H 38 9.480 8.454 1.026 1 1 391 . 6 1 1 A 38 38 ARG HA H 38 5.310 5.192 0.118 1 1 398 . 6 1 1 A 38 38 ARG CA C 38 53.500 54.704 -1.204 1 1 399 . 6 1 1 A 38 38 ARG CB C 38 31.000 33.305 -2.305 1 1 402 . 6 1 1 A 38 38 ARG N N 38 126.900 121.894 5.006 1 1 403 . 6 1 1 A 39 39 VAL H H 39 8.810 8.554 0.256 1 1 404 . 6 1 1 A 39 39 VAL HA H 39 4.150 4.532 -0.382 1 1 412 . 6 1 1 A 39 39 VAL CA C 39 62.800 61.372 1.428 1 1 413 . 6 1 1 A 39 39 VAL CB C 39 33.100 33.313 -0.213 1 1 416 . 6 1 1 A 39 39 VAL N N 39 125.700 123.112 2.588 1 1 417 . 6 1 1 A 40 40 ALA H H 40 9.680 8.790 0.890 1 1 418 . 6 1 1 A 40 40 ALA HA H 40 4.690 4.559 0.131 1 1 422 . 6 1 1 A 40 40 ALA CA C 40 51.300 52.085 -0.785 1 1 423 . 6 1 1 A 40 40 ALA CB C 40 22.700 20.467 2.233 1 1 424 . 6 1 1 A 40 40 ALA N N 40 102.300 129.306 -27.006 1 1 425 . 6 1 1 A 41 41 ALA H H 41 8.370 7.753 0.617 1 1 426 . 6 1 1 A 41 41 ALA HA H 41 4.530 4.885 -0.355 1 1 430 . 6 1 1 A 41 41 ALA CA C 41 51.700 51.540 0.160 1 1 431 . 6 1 1 A 41 41 ALA CB C 41 22.200 23.160 -0.960 1 1 432 . 6 1 1 A 41 41 ALA N N 41 120.200 118.636 1.564 1 1 433 . 6 1 1 A 42 42 LEU H H 42 8.690 8.689 0.001 1 1 434 . 6 1 1 A 42 42 LEU HA H 42 5.320 5.315 0.005 1 1 444 . 6 1 1 A 42 42 LEU CA C 42 53.500 53.439 0.061 1 1 445 . 6 1 1 A 42 42 LEU CB C 42 46.300 45.875 0.425 1 1 449 . 6 1 1 A 42 42 LEU N N 42 118.300 120.531 -2.231 1 1 450 . 6 1 1 A 43 43 HIS H H 43 8.820 9.060 -0.240 1 1 451 . 6 1 1 A 43 43 HIS HA H 43 4.870 4.900 -0.030 1 1 456 . 6 1 1 A 43 43 HIS CA C 43 56.300 56.511 -0.211 1 1 457 . 6 1 1 A 43 43 HIS CB C 43 34.200 33.303 0.897 1 1 460 . 6 1 1 A 43 43 HIS N N 43 120.700 122.345 -1.645 1 1 461 . 6 1 1 A 44 44 ARG H H 44 8.580 8.374 0.206 1 1 462 . 6 1 1 A 44 44 ARG HA H 44 4.420 4.305 0.115 1 1 469 . 6 1 1 A 44 44 ARG CA C 44 57.400 56.317 1.083 1 1 470 . 6 1 1 A 44 44 ARG CB C 44 31.100 31.239 -0.139 1 1 473 . 6 1 1 A 44 44 ARG N N 44 128.300 128.006 0.294 1 1 474 . 6 1 1 A 45 45 ALA H H 45 8.580 8.824 -0.244 1 1 475 . 6 1 1 A 45 45 ALA HA H 45 4.720 4.330 0.390 1 1 479 . 6 1 1 A 45 45 ALA CA C 45 51.500 55.547 -4.047 1 1 480 . 6 1 1 A 45 45 ALA CB C 45 20.200 18.813 1.387 1 1 481 . 6 1 1 A 45 45 ALA N N 45 125.700 128.168 -2.468 1 1 482 . 6 1 1 A 46 46 THR H H 46 8.250 7.847 0.403 1 1 483 . 6 1 1 A 46 46 THR HA H 46 4.270 4.262 0.008 1 1 488 . 6 1 1 A 46 46 THR CA C 46 62.000 64.473 -2.473 1 1 489 . 6 1 1 A 46 46 THR CB C 46 69.900 68.960 0.940 1 1 491 . 6 1 1 A 46 46 THR N N 46 115.500 112.334 3.166 1 1 492 . 6 1 1 A 47 47 ASN H H 47 8.590 9.147 -0.557 1 1 493 . 6 1 1 A 47 47 ASN HA H 47 4.620 4.553 0.067 1 1 498 . 6 1 1 A 47 47 ASN CA C 47 53.400 56.233 -2.833 1 1 499 . 6 1 1 A 47 47 ASN CB C 47 38.400 38.500 -0.100 1 1 500 . 6 1 1 A 47 47 ASN N N 47 122.400 124.228 -1.828 1 1 502 . 6 1 1 A 50 50 SER H H 50 8.480 8.096 0.384 1 1 503 . 6 1 1 A 50 50 SER HA H 50 4.400 4.818 -0.418 1 1 506 . 6 1 1 A 50 50 SER CA C 50 58.900 56.337 2.563 1 1 507 . 6 1 1 A 50 50 SER CB C 50 63.600 64.763 -1.163 1 1 508 . 6 1 1 A 50 50 SER N N 50 116.600 113.311 3.289 1 1 509 . 6 1 1 A 51 51 GLU H H 51 8.510 8.945 -0.435 1 1 510 . 6 1 1 A 51 51 GLU HA H 51 4.300 4.012 0.288 1 1 515 . 6 1 1 A 51 51 GLU CA C 51 56.800 59.156 -2.356 1 1 516 . 6 1 1 A 51 51 GLU CB C 51 29.900 30.409 -0.509 1 1 518 . 6 1 1 A 51 51 GLU N N 51 121.800 127.251 -5.451 1 1 519 . 6 1 1 A 52 52 GLN H H 52 8.300 7.978 0.322 1 1 520 . 6 1 1 A 52 52 GLN HA H 52 4.310 4.005 0.305 1 1 527 . 6 1 1 A 52 52 GLN CA C 52 55.900 57.267 -1.367 1 1 528 . 6 1 1 A 52 52 GLN CB C 52 29.000 28.466 0.534 1 1 530 . 6 1 1 A 52 52 GLN N N 52 119.500 118.058 1.442 1 1 532 . 6 1 1 A 53 53 ARG H H 53 8.350 8.111 0.239 1 1 533 . 6 1 1 A 53 53 ARG HA H 53 4.310 3.974 0.336 1 1 540 . 6 1 1 A 53 53 ARG CA C 53 56.800 58.945 -2.145 1 1 541 . 6 1 1 A 53 53 ARG CB C 53 30.700 30.079 0.621 1 1 544 . 6 1 1 A 53 53 ARG N N 53 121.000 119.128 1.872 1 1 545 . 6 1 1 A 54 54 THR H H 54 8.140 7.895 0.245 1 1 546 . 6 1 1 A 54 54 THR HA H 54 4.340 3.848 0.492 1 1 551 . 6 1 1 A 54 54 THR CA C 54 61.900 66.025 -4.125 1 1 552 . 6 1 1 A 54 54 THR CB C 54 69.600 67.162 2.438 1 1 554 . 6 1 1 A 54 54 THR N N 54 113.100 112.808 0.292 1 1 555 . 6 1 1 A 64 64 TYR H H 64 8.220 8.012 0.208 1 1 556 . 6 1 1 A 64 64 TYR HA H 64 3.360 3.201 0.159 1 1 563 . 6 1 1 A 64 64 TYR CA C 64 61.600 61.110 0.490 1 1 564 . 6 1 1 A 64 64 TYR CB C 64 37.700 38.501 -0.801 1 1 567 . 6 1 1 A 64 64 TYR N N 64 120.700 121.162 -0.462 1 1 568 . 6 1 1 A 65 65 ARG H H 65 8.340 8.153 0.187 1 1 569 . 6 1 1 A 65 65 ARG HA H 65 3.930 3.801 0.129 1 1 576 . 6 1 1 A 65 65 ARG CA C 65 59.600 59.566 0.034 1 1 577 . 6 1 1 A 65 65 ARG CB C 65 30.100 30.304 -0.204 1 1 580 . 6 1 1 A 65 65 ARG N N 65 119.200 118.728 0.472 1 1 581 . 6 1 1 A 66 66 ALA H H 66 7.790 7.793 -0.003 1 1 582 . 6 1 1 A 66 66 ALA HA H 66 4.090 4.111 -0.021 1 1 586 . 6 1 1 A 66 66 ALA CA C 66 54.700 54.884 -0.184 1 1 587 . 6 1 1 A 66 66 ALA CB C 66 18.100 18.376 -0.276 1 1 588 . 6 1 1 A 66 66 ALA N N 66 121.900 121.852 0.048 1 1 589 . 6 1 1 A 67 67 ALA H H 67 7.550 7.383 0.167 1 1 590 . 6 1 1 A 67 67 ALA HA H 67 2.940 3.885 -0.945 1 1 594 . 6 1 1 A 67 67 ALA CA C 67 54.300 54.966 -0.666 1 1 595 . 6 1 1 A 67 67 ALA CB C 67 18.000 17.945 0.055 1 1 596 . 6 1 1 A 67 67 ALA N N 67 123.000 120.704 2.296 1 1 597 . 6 1 1 A 68 68 ASP H H 68 8.320 8.476 -0.156 1 1 598 . 6 1 1 A 68 68 ASP HA H 68 4.100 4.050 0.050 1 1 601 . 6 1 1 A 68 68 ASP CA C 68 56.800 56.565 0.235 1 1 602 . 6 1 1 A 68 68 ASP CB C 68 41.400 41.428 -0.028 1 1 603 . 6 1 1 A 68 68 ASP N N 68 118.100 118.270 -0.170 1 1 604 . 6 1 1 A 69 69 ALA H H 69 7.790 7.664 0.126 1 1 605 . 6 1 1 A 69 69 ALA HA H 69 4.010 4.028 -0.018 1 1 609 . 6 1 1 A 69 69 ALA CA C 69 55.000 54.657 0.343 1 1 610 . 6 1 1 A 69 69 ALA CB C 69 17.600 18.524 -0.924 1 1 611 . 6 1 1 A 69 69 ALA N N 69 121.200 120.760 0.440 1 1 612 . 6 1 1 A 70 70 ALA H H 70 7.490 7.810 -0.320 1 1 613 . 6 1 1 A 70 70 ALA HA H 70 4.070 3.866 0.204 1 1 617 . 6 1 1 A 70 70 ALA CA C 70 54.500 54.815 -0.315 1 1 618 . 6 1 1 A 70 70 ALA CB C 70 17.900 17.966 -0.066 1 1 619 . 6 1 1 A 70 70 ALA N N 70 121.200 119.895 1.305 1 1 620 . 6 1 1 A 71 71 ALA H H 71 8.620 8.089 0.531 1 1 621 . 6 1 1 A 71 71 ALA HA H 71 3.660 3.971 -0.311 1 1 625 . 6 1 1 A 71 71 ALA CA C 71 55.300 55.361 -0.061 1 1 626 . 6 1 1 A 71 71 ALA CB C 71 17.800 18.062 -0.262 1 1 627 . 6 1 1 A 71 71 ALA N N 71 121.600 120.436 1.164 1 1 628 . 6 1 1 A 72 72 GLN H H 72 8.700 8.023 0.677 1 1 629 . 6 1 1 A 72 72 GLN HA H 72 4.080 4.068 0.012 1 1 636 . 6 1 1 A 72 72 GLN CA C 72 59.000 58.504 0.496 1 1 637 . 6 1 1 A 72 72 GLN CB C 72 28.000 28.213 -0.213 1 1 639 . 6 1 1 A 72 72 GLN N N 72 118.600 116.926 1.674 1 1 641 . 6 1 1 A 73 73 GLU H H 73 7.640 8.444 -0.804 1 1 642 . 6 1 1 A 73 73 GLU HA H 73 4.080 4.050 0.030 1 1 647 . 6 1 1 A 73 73 GLU CA C 73 58.800 59.129 -0.329 1 1 648 . 6 1 1 A 73 73 GLU CB C 73 29.600 29.369 0.231 1 1 650 . 6 1 1 A 73 73 GLU N N 73 119.000 120.844 -1.844 1 1 651 . 6 1 1 A 74 74 GLN H H 74 7.400 7.608 -0.208 1 1 652 . 6 1 1 A 74 74 GLN HA H 74 4.470 4.320 0.150 1 1 659 . 6 1 1 A 74 74 GLN CA C 74 55.000 55.535 -0.535 1 1 660 . 6 1 1 A 74 74 GLN CB C 74 30.900 29.245 1.655 1 1 662 . 6 1 1 A 74 74 GLN N N 74 114.600 116.532 -1.932 1 1 664 . 6 1 1 A 75 75 GLY H H 75 7.830 8.443 -0.613 1 1 665 . 6 1 1 A 75 75 GLY HA2 H 75 3.950 3.912 0.038 1 1 666 . 6 1 1 A 75 75 GLY HA3 H 75 3.870 3.930 -0.060 1 1 667 . 6 1 1 A 75 75 GLY CA C 75 46.500 46.469 0.031 1 1 668 . 6 1 1 A 75 75 GLY N N 75 109.300 109.525 -0.225 1 1 669 . 6 1 1 A 76 76 LEU H H 76 8.110 8.280 -0.170 1 1 670 . 6 1 1 A 76 76 LEU HA H 76 4.650 4.966 -0.316 1 1 680 . 6 1 1 A 76 76 LEU CA C 76 52.500 53.121 -0.621 1 1 681 . 6 1 1 A 76 76 LEU CB C 76 45.700 45.566 0.134 1 1 685 . 6 1 1 A 76 76 LEU N N 76 119.300 119.816 -0.516 1 1 686 . 6 1 1 A 77 77 ASP H H 77 8.990 9.428 -0.438 1 1 687 . 6 1 1 A 77 77 ASP HA H 77 5.120 5.204 -0.084 1 1 690 . 6 1 1 A 77 77 ASP CA C 77 52.600 52.328 0.272 1 1 691 . 6 1 1 A 77 77 ASP CB C 77 44.600 44.049 0.551 1 1 692 . 6 1 1 A 77 77 ASP N N 77 117.600 117.622 -0.022 1 1 693 . 6 1 1 A 78 78 VAL H H 78 9.070 9.056 0.014 1 1 694 . 6 1 1 A 78 78 VAL HA H 78 4.090 4.449 -0.359 1 1 702 . 6 1 1 A 78 78 VAL CA C 78 63.900 63.125 0.775 1 1 703 . 6 1 1 A 78 78 VAL CB C 78 30.900 31.457 -0.557 1 1 706 . 6 1 1 A 78 78 VAL N N 78 121.900 120.764 1.136 1 1 707 . 6 1 1 A 79 79 VAL H H 79 8.360 8.981 -0.621 1 1 708 . 6 1 1 A 79 79 VAL HA H 79 4.300 4.475 -0.175 1 1 716 . 6 1 1 A 79 79 VAL CA C 79 59.500 62.179 -2.679 1 1 717 . 6 1 1 A 79 79 VAL CB C 79 32.600 32.784 -0.184 1 1 720 . 6 1 1 A 79 79 VAL N N 79 116.700 121.935 -5.235 1 1 721 . 6 1 1 A 80 80 GLY H H 80 6.970 7.772 -0.802 1 1 722 . 6 1 1 A 80 80 GLY HA2 H 80 4.380 4.202 0.178 1 1 723 . 6 1 1 A 80 80 GLY HA3 H 80 3.550 4.358 -0.808 1 1 724 . 6 1 1 A 80 80 GLY CA C 80 46.900 45.997 0.903 1 1 725 . 6 1 1 A 80 80 GLY N N 80 106.200 109.152 -2.952 1 1 726 . 6 1 1 A 81 81 VAL H H 81 8.510 8.645 -0.135 1 1 727 . 6 1 1 A 81 81 VAL HA H 81 4.900 4.922 -0.022 1 1 735 . 6 1 1 A 81 81 VAL CA C 81 59.400 60.252 -0.852 1 1 736 . 6 1 1 A 81 81 VAL CB C 81 37.600 35.827 1.773 1 1 739 . 6 1 1 A 81 81 VAL N N 81 116.200 119.640 -3.440 1 1 740 . 6 1 1 A 82 82 TYR H H 82 8.370 8.903 -0.533 1 1 741 . 6 1 1 A 82 82 TYR HA H 82 6.000 5.737 0.263 1 1 748 . 6 1 1 A 82 82 TYR CA C 82 54.900 55.651 -0.751 1 1 749 . 6 1 1 A 82 82 TYR CB C 82 42.800 42.464 0.336 1 1 752 . 6 1 1 A 82 82 TYR N N 82 118.100 121.235 -3.135 1 1 753 . 6 1 1 A 83 83 HIS H H 83 8.520 8.643 -0.123 1 1 754 . 6 1 1 A 83 83 HIS HA H 83 5.150 5.530 -0.380 1 1 759 . 6 1 1 A 83 83 HIS CA C 83 54.900 53.990 0.910 1 1 760 . 6 1 1 A 83 83 HIS CB C 83 33.200 32.593 0.607 1 1 763 . 6 1 1 A 83 83 HIS N N 83 115.400 117.244 -1.844 1 1 764 . 6 1 1 A 84 84 SER H H 84 9.060 8.771 0.289 1 1 765 . 6 1 1 A 84 84 SER HA H 84 5.590 5.153 0.437 1 1 768 . 6 1 1 A 84 84 SER CA C 84 55.800 57.757 -1.957 1 1 769 . 6 1 1 A 84 84 SER CB C 84 65.500 64.970 0.530 1 1 770 . 6 1 1 A 84 84 SER N N 84 117.100 116.568 0.532 1 1 771 . 6 1 1 A 85 85 HIS H H 85 8.980 8.433 0.547 1 1 772 . 6 1 1 A 85 85 HIS HA H 85 4.830 5.152 -0.322 1 1 777 . 6 1 1 A 85 85 HIS CA C 85 50.400 53.260 -2.860 1 1 778 . 6 1 1 A 85 85 HIS CB C 85 32.000 30.644 1.356 1 1 781 . 6 1 1 A 85 85 HIS N N 85 117.600 121.942 -4.342 1 1 782 . 6 1 1 A 86 86 PRO HA H 86 5.080 4.434 0.646 1 1 789 . 6 1 1 A 86 86 PRO CA C 86 62.400 64.029 -1.629 1 1 790 . 6 1 1 A 86 86 PRO CB C 86 32.400 31.714 0.686 1 1 793 . 6 1 1 A 87 87 ASP H H 87 10.300 8.358 1.942 1 1 794 . 6 1 1 A 87 87 ASP HA H 87 4.320 4.490 -0.170 1 1 797 . 6 1 1 A 87 87 ASP CA C 87 56.600 55.820 0.780 1 1 798 . 6 1 1 A 87 87 ASP CB C 87 39.600 40.452 -0.852 1 1 799 . 6 1 1 A 87 87 ASP N N 87 123.100 123.129 -0.029 1 1 800 . 6 1 1 A 88 88 HIS H H 88 7.500 7.938 -0.438 1 1 801 . 6 1 1 A 88 88 HIS HA H 88 5.050 4.603 0.447 1 1 806 . 6 1 1 A 88 88 HIS CA C 88 54.700 54.501 0.199 1 1 807 . 6 1 1 A 88 88 HIS CB C 88 32.400 29.812 2.588 1 1 810 . 6 1 1 A 88 88 HIS N N 88 115.000 118.206 -3.206 1 1 811 . 6 1 1 A 89 89 PRO HA H 89 4.370 4.583 -0.213 1 1 818 . 6 1 1 A 89 89 PRO CA C 89 62.700 62.353 0.347 1 1 819 . 6 1 1 A 89 89 PRO CB C 89 31.600 32.883 -1.283 1 1 822 . 6 1 1 A 90 90 ALA H H 90 8.020 8.102 -0.082 1 1 823 . 6 1 1 A 90 90 ALA HA H 90 4.290 4.382 -0.092 1 1 827 . 6 1 1 A 90 90 ALA CA C 90 50.800 51.961 -1.161 1 1 828 . 6 1 1 A 90 90 ALA CB C 90 16.600 19.968 -3.368 1 1 829 . 6 1 1 A 90 90 ALA N N 90 125.800 123.681 2.119 1 1 830 . 6 1 1 A 91 91 ARG H H 91 7.990 8.575 -0.585 1 1 831 . 6 1 1 A 91 91 ARG HA H 91 4.300 3.895 0.405 1 1 838 . 6 1 1 A 91 91 ARG CA C 91 53.100 57.121 -4.021 1 1 839 . 6 1 1 A 91 91 ARG CB C 91 31.800 29.169 2.631 1 1 842 . 6 1 1 A 91 91 ARG N N 91 121.900 115.620 6.280 1 1 843 . 6 1 1 A 92 92 PRO HA H 92 4.070 4.232 -0.162 1 1 850 . 6 1 1 A 92 92 PRO CA C 92 62.300 62.413 -0.113 1 1 851 . 6 1 1 A 92 92 PRO CB C 92 32.500 31.022 1.478 1 1 854 . 6 1 1 A 93 93 SER H H 93 9.960 8.097 1.863 1 1 855 . 6 1 1 A 93 93 SER HA H 93 4.630 4.577 0.053 1 1 858 . 6 1 1 A 93 93 SER CA C 93 56.300 57.603 -1.303 1 1 859 . 6 1 1 A 93 93 SER CB C 93 66.500 64.296 2.204 1 1 860 . 6 1 1 A 93 93 SER N N 93 121.800 117.366 4.434 1 1 861 . 6 1 1 A 94 94 ALA H H 94 8.880 8.906 -0.026 1 1 862 . 6 1 1 A 94 94 ALA HA H 94 4.130 3.990 0.140 1 1 866 . 6 1 1 A 94 94 ALA CA C 94 55.400 55.635 -0.235 1 1 867 . 6 1 1 A 94 94 ALA CB C 94 18.000 17.989 0.011 1 1 868 . 6 1 1 A 94 94 ALA N N 94 123.100 124.441 -1.341 1 1 869 . 6 1 1 A 95 95 THR H H 95 7.870 7.987 -0.117 1 1 870 . 6 1 1 A 95 95 THR HA H 95 3.920 3.901 0.019 1 1 875 . 6 1 1 A 95 95 THR CA C 95 65.700 66.930 -1.230 1 1 876 . 6 1 1 A 95 95 THR CB C 95 68.400 68.153 0.247 1 1 878 . 6 1 1 A 95 95 THR N N 95 114.300 115.002 -0.702 1 1 879 . 6 1 1 A 96 96 ASP H H 96 7.420 7.996 -0.576 1 1 880 . 6 1 1 A 96 96 ASP HA H 96 4.230 4.417 -0.187 1 1 883 . 6 1 1 A 96 96 ASP CA C 96 57.400 57.249 0.151 1 1 884 . 6 1 1 A 96 96 ASP CB C 96 40.100 40.672 -0.572 1 1 885 . 6 1 1 A 96 96 ASP N N 96 121.000 121.323 -0.323 1 1 886 . 6 1 1 A 97 97 LEU H H 97 7.490 7.939 -0.449 1 1 887 . 6 1 1 A 97 97 LEU HA H 97 4.000 4.388 -0.388 1 1 897 . 6 1 1 A 97 97 LEU CA C 97 57.600 57.893 -0.293 1 1 898 . 6 1 1 A 97 97 LEU CB C 97 41.400 41.629 -0.229 1 1 902 . 6 1 1 A 97 97 LEU N N 97 118.900 119.923 -1.023 1 1 903 . 6 1 1 A 98 98 GLU H H 98 7.690 8.323 -0.633 1 1 904 . 6 1 1 A 98 98 GLU HA H 98 3.900 4.026 -0.126 1 1 909 . 6 1 1 A 98 98 GLU CA C 98 58.700 59.672 -0.972 1 1 910 . 6 1 1 A 98 98 GLU CB C 98 29.600 29.541 0.059 1 1 912 . 6 1 1 A 98 98 GLU N N 98 119.100 119.036 0.064 1 1 913 . 6 1 1 A 99 99 GLU H H 99 7.500 7.536 -0.036 1 1 914 . 6 1 1 A 99 99 GLU HA H 99 4.200 4.518 -0.318 1 1 919 . 6 1 1 A 99 99 GLU CA C 99 56.100 56.088 0.012 1 1 920 . 6 1 1 A 99 99 GLU CB C 99 30.000 30.198 -0.198 1 1 922 . 6 1 1 A 99 99 GLU N N 99 114.300 116.374 -2.074 1 1 923 . 6 1 1 A 100 100 ALA H H 100 7.400 7.273 0.127 1 1 924 . 6 1 1 A 100 100 ALA HA H 100 4.620 4.213 0.407 1 1 928 . 6 1 1 A 100 100 ALA CA C 100 52.000 51.208 0.792 1 1 929 . 6 1 1 A 100 100 ALA CB C 100 18.100 17.278 0.822 1 1 930 . 6 1 1 A 100 100 ALA N N 100 125.900 125.340 0.560 1 1 931 . 6 1 1 A 101 101 THR H H 101 7.790 8.220 -0.430 1 1 932 . 6 1 1 A 101 101 THR HA H 101 4.050 4.403 -0.353 1 1 937 . 6 1 1 A 101 101 THR CA C 101 61.200 64.222 -3.022 1 1 938 . 6 1 1 A 101 101 THR CB C 101 68.900 69.765 -0.865 1 1 940 . 6 1 1 A 101 101 THR N N 101 111.700 117.539 -5.839 1 1 941 . 6 1 1 A 102 102 PHE H H 102 7.320 7.518 -0.198 1 1 942 . 6 1 1 A 102 102 PHE HA H 102 4.750 5.002 -0.252 1 1 950 . 6 1 1 A 102 102 PHE CA C 102 54.300 54.694 -0.394 1 1 951 . 6 1 1 A 102 102 PHE CB C 102 38.200 39.343 -1.143 1 1 955 . 6 1 1 A 102 102 PHE N N 102 120.200 115.551 4.649 1 1 956 . 6 1 1 A 103 103 PRO HA H 103 4.480 4.449 0.031 1 1 963 . 6 1 1 A 103 103 PRO CA C 103 64.100 63.590 0.510 1 1 964 . 6 1 1 A 103 103 PRO CB C 103 32.000 32.474 -0.474 1 1 967 . 6 1 1 A 104 104 GLY H H 104 8.920 8.910 0.010 1 1 968 . 6 1 1 A 104 104 GLY HA2 H 104 4.270 3.813 0.457 1 1 969 . 6 1 1 A 104 104 GLY HA3 H 104 4.160 3.850 0.310 1 1 970 . 6 1 1 A 104 104 GLY CA C 104 45.600 45.269 0.331 1 1 971 . 6 1 1 A 104 104 GLY N N 104 109.600 110.991 -1.391 1 1 972 . 6 1 1 A 105 105 PHE H H 105 7.250 7.968 -0.718 1 1 973 . 6 1 1 A 105 105 PHE HA H 105 4.930 4.546 0.384 1 1 981 . 6 1 1 A 105 105 PHE CA C 105 54.900 58.065 -3.165 1 1 982 . 6 1 1 A 105 105 PHE CB C 105 39.400 39.681 -0.281 1 1 986 . 6 1 1 A 105 105 PHE N N 105 120.100 119.471 0.629 1 1 987 . 6 1 1 A 106 106 THR H H 106 8.110 8.382 -0.272 1 1 988 . 6 1 1 A 106 106 THR HA H 106 4.840 4.613 0.227 1 1 993 . 6 1 1 A 106 106 THR CA C 106 64.400 62.254 2.146 1 1 994 . 6 1 1 A 106 106 THR CB C 106 70.500 69.373 1.127 1 1 996 . 6 1 1 A 106 106 THR N N 106 118.600 117.655 0.945 1 1 997 . 6 1 1 A 107 107 TYR H H 107 9.660 9.360 0.300 1 1 998 . 6 1 1 A 107 107 TYR HA H 107 5.150 5.324 -0.174 1 1 1005 . 6 1 1 A 107 107 TYR CA C 107 56.900 57.385 -0.485 1 1 1006 . 6 1 1 A 107 107 TYR CB C 107 38.900 39.915 -1.015 1 1 1009 . 6 1 1 A 107 107 TYR N N 107 126.600 127.349 -0.749 1 1 1010 . 6 1 1 A 108 108 VAL H H 108 9.270 9.502 -0.232 1 1 1011 . 6 1 1 A 108 108 VAL HA H 108 5.220 5.021 0.199 1 1 1019 . 6 1 1 A 108 108 VAL CA C 108 60.800 61.812 -1.012 1 1 1020 . 6 1 1 A 108 108 VAL CB C 108 33.500 33.309 0.191 1 1 1023 . 6 1 1 A 108 108 VAL N N 108 124.400 123.667 0.733 1 1 1024 . 6 1 1 A 109 109 ILE H H 109 9.300 9.841 -0.541 1 1 1025 . 6 1 1 A 109 109 ILE HA H 109 5.150 4.680 0.470 1 1 1035 . 6 1 1 A 109 109 ILE CA C 109 58.000 59.742 -1.742 1 1 1036 . 6 1 1 A 109 109 ILE CB C 109 39.600 39.190 0.410 1 1 1040 . 6 1 1 A 109 109 ILE N N 109 128.500 129.348 -0.848 1 1 1041 . 6 1 1 A 110 110 VAL H H 110 7.910 8.555 -0.645 1 1 1042 . 6 1 1 A 110 110 VAL HA H 110 5.650 5.047 0.603 1 1 1050 . 6 1 1 A 110 110 VAL CA C 110 56.800 59.638 -2.838 1 1 1051 . 6 1 1 A 110 110 VAL CB C 110 35.400 34.161 1.239 1 1 1054 . 6 1 1 A 110 110 VAL N N 110 122.600 129.225 -6.625 1 1 1055 . 6 1 1 A 111 111 SER H H 111 9.390 9.023 0.367 1 1 1056 . 6 1 1 A 111 111 SER HA H 111 4.850 4.795 0.055 1 1 1059 . 6 1 1 A 111 111 SER CA C 111 57.700 58.452 -0.752 1 1 1060 . 6 1 1 A 111 111 SER CB C 111 64.500 63.793 0.707 1 1 1061 . 6 1 1 A 111 111 SER N N 111 124.700 124.793 -0.093 1 1 1062 . 6 1 1 A 112 112 VAL H H 112 7.850 9.044 -1.194 1 1 1063 . 6 1 1 A 112 112 VAL HA H 112 4.530 4.610 -0.080 1 1 1071 . 6 1 1 A 112 112 VAL CA C 112 61.000 61.201 -0.201 1 1 1072 . 6 1 1 A 112 112 VAL CB C 112 33.800 33.897 -0.097 1 1 1075 . 6 1 1 A 112 112 VAL N N 112 126.100 126.957 -0.857 1 1 1076 . 6 1 1 A 113 113 ARG H H 113 8.620 8.976 -0.356 1 1 1077 . 6 1 1 A 113 113 ARG HA H 113 5.020 4.544 0.476 1 1 1084 . 6 1 1 A 113 113 ARG CA C 113 54.100 54.413 -0.313 1 1 1085 . 6 1 1 A 113 113 ARG CB C 113 31.500 30.818 0.682 1 1 1088 . 6 1 1 A 113 113 ARG N N 113 128.800 128.450 0.350 1 1 1089 . 6 1 1 A 114 114 ASP H H 114 9.650 8.739 0.911 1 1 1090 . 6 1 1 A 114 114 ASP HA H 114 4.370 4.207 0.163 1 1 1093 . 6 1 1 A 114 114 ASP CA C 114 55.100 54.882 0.218 1 1 1094 . 6 1 1 A 114 114 ASP CB C 114 39.800 39.906 -0.106 1 1 1095 . 6 1 1 A 114 114 ASP N N 114 128.100 126.188 1.912 1 1 1096 . 6 1 1 A 115 115 GLY H H 115 8.350 8.225 0.125 1 1 1097 . 6 1 1 A 115 115 GLY HA2 H 115 3.980 3.888 0.092 1 1 1098 . 6 1 1 A 115 115 GLY HA3 H 115 2.460 3.889 -1.429 1 1 1099 . 6 1 1 A 115 115 GLY CA C 115 45.500 45.363 0.137 1 1 1100 . 6 1 1 A 115 115 GLY N N 115 109.900 108.765 1.135 1 1 1101 . 6 1 1 A 116 116 ALA H H 116 7.610 7.561 0.049 1 1 1102 . 6 1 1 A 116 116 ALA HA H 116 4.920 4.495 0.425 1 1 1106 . 6 1 1 A 116 116 ALA CA C 116 48.200 49.213 -1.013 1 1 1107 . 6 1 1 A 116 116 ALA CB C 116 19.600 19.772 -0.172 1 1 1108 . 6 1 1 A 116 116 ALA N N 116 123.900 124.458 -0.558 1 1 1109 . 6 1 1 A 117 117 PRO HA H 117 4.670 5.076 -0.406 1 1 1116 . 6 1 1 A 117 117 PRO CA C 117 62.900 62.700 0.200 1 1 1117 . 6 1 1 A 117 117 PRO CB C 117 31.500 31.988 -0.488 1 1 1120 . 6 1 1 A 118 118 GLU H H 118 8.900 8.772 0.128 1 1 1121 . 6 1 1 A 118 118 GLU HA H 118 4.540 4.266 0.274 1 1 1126 . 6 1 1 A 118 118 GLU CA C 118 56.200 59.065 -2.865 1 1 1127 . 6 1 1 A 118 118 GLU CB C 118 30.500 30.050 0.450 1 1 1129 . 6 1 1 A 118 118 GLU N N 118 127.400 123.068 4.332 1 1 1130 . 6 1 1 A 119 119 ALA H H 119 8.060 7.643 0.417 1 1 1131 . 6 1 1 A 119 119 ALA HA H 119 4.460 4.611 -0.151 1 1 1135 . 6 1 1 A 119 119 ALA CA C 119 52.600 51.555 1.045 1 1 1136 . 6 1 1 A 119 119 ALA CB C 119 21.000 23.221 -2.221 1 1 1137 . 6 1 1 A 119 119 ALA N N 119 123.500 119.081 4.419 1 1 1138 . 6 1 1 A 120 120 LEU H H 120 8.170 8.694 -0.524 1 1 1139 . 6 1 1 A 120 120 LEU HA H 120 5.400 5.262 0.138 1 1 1149 . 6 1 1 A 120 120 LEU CA C 120 55.000 52.994 2.006 1 1 1150 . 6 1 1 A 120 120 LEU CB C 120 45.300 44.441 0.859 1 1 1154 . 6 1 1 A 120 120 LEU N N 120 123.500 115.528 7.972 1 1 1155 . 6 1 1 A 121 121 THR H H 121 9.450 9.544 -0.094 1 1 1156 . 6 1 1 A 121 121 THR HA H 121 4.520 5.281 -0.761 1 1 1161 . 6 1 1 A 121 121 THR CA C 121 58.700 59.715 -1.015 1 1 1162 . 6 1 1 A 121 121 THR CB C 121 72.100 71.705 0.395 1 1 1164 . 6 1 1 A 121 121 THR N N 121 117.400 114.756 2.644 1 1 1165 . 6 1 1 A 122 122 ALA H H 122 8.620 8.676 -0.056 1 1 1166 . 6 1 1 A 122 122 ALA HA H 122 5.370 5.663 -0.293 1 1 1170 . 6 1 1 A 122 122 ALA CA C 122 50.400 49.835 0.565 1 1 1171 . 6 1 1 A 122 122 ALA CB C 122 21.900 22.419 -0.519 1 1 1172 . 6 1 1 A 122 122 ALA N N 122 123.400 124.720 -1.320 1 1 1173 . 6 1 1 A 123 123 TRP H H 123 8.740 9.332 -0.592 1 1 1174 . 6 1 1 A 123 123 TRP HA H 123 5.090 5.415 -0.325 1 1 1183 . 6 1 1 A 123 123 TRP CA C 123 56.700 56.278 0.422 1 1 1184 . 6 1 1 A 123 123 TRP CB C 123 33.300 33.722 -0.422 1 1 1190 . 6 1 1 A 123 123 TRP N N 123 118.700 121.044 -2.344 1 1 1192 . 6 1 1 A 124 124 ALA H H 124 9.570 9.436 0.134 1 1 1193 . 6 1 1 A 124 124 ALA HA H 124 5.360 5.362 -0.002 1 1 1197 . 6 1 1 A 124 124 ALA CA C 124 50.300 50.425 -0.125 1 1 1198 . 6 1 1 A 124 124 ALA CB C 124 22.600 21.176 1.424 1 1 1199 . 6 1 1 A 124 124 ALA N N 124 123.200 125.659 -2.459 1 1 1200 . 6 1 1 A 125 125 LEU H H 125 9.830 9.014 0.816 1 1 1201 . 6 1 1 A 125 125 LEU HA H 125 4.190 4.408 -0.218 1 1 1211 . 6 1 1 A 125 125 LEU CA C 125 54.700 54.364 0.336 1 1 1212 . 6 1 1 A 125 125 LEU CB C 125 44.000 43.778 0.222 1 1 1216 . 6 1 1 A 125 125 LEU N N 125 125.000 125.754 -0.754 1 1 1217 . 6 1 1 A 126 126 ALA H H 126 8.310 8.500 -0.190 1 1 1218 . 6 1 1 A 126 126 ALA HA H 126 4.460 4.509 -0.049 1 1 1222 . 6 1 1 A 126 126 ALA CA C 126 51.100 50.707 0.393 1 1 1223 . 6 1 1 A 126 126 ALA CB C 126 18.300 18.152 0.148 1 1 1224 . 6 1 1 A 126 126 ALA N N 126 127.000 129.289 -2.289 1 1 1225 . 6 1 1 A 127 127 PRO HA H 127 4.340 4.327 0.013 1 1 1232 . 6 1 1 A 127 127 PRO CA C 127 65.400 64.732 0.668 1 1 1233 . 6 1 1 A 127 127 PRO CB C 127 31.800 31.836 -0.036 1 1 1236 . 6 1 1 A 128 128 ASP H H 128 7.680 7.704 -0.024 1 1 1237 . 6 1 1 A 128 128 ASP HA H 128 4.550 4.684 -0.134 1 1 1240 . 6 1 1 A 128 128 ASP CA C 128 52.900 54.074 -1.174 1 1 1241 . 6 1 1 A 128 128 ASP CB C 128 39.600 41.106 -1.506 1 1 1242 . 6 1 1 A 128 128 ASP N N 128 113.100 116.061 -2.961 1 1 1243 . 6 1 1 A 129 129 ARG H H 129 8.500 8.253 0.247 1 1 1244 . 6 1 1 A 129 129 ARG HA H 129 3.500 3.892 -0.392 1 1 1251 . 6 1 1 A 129 129 ARG CA C 129 57.600 57.074 0.526 1 1 1252 . 6 1 1 A 129 129 ARG CB C 129 26.900 26.808 0.092 1 1 1255 . 6 1 1 A 129 129 ARG N N 129 113.100 115.866 -2.766 1 1 1256 . 6 1 1 A 130 130 SER H H 130 8.050 8.187 -0.137 1 1 1257 . 6 1 1 A 130 130 SER HA H 130 4.020 4.317 -0.297 1 1 1260 . 6 1 1 A 130 130 SER CA C 130 60.100 60.627 -0.527 1 1 1261 . 6 1 1 A 130 130 SER CB C 130 63.600 63.861 -0.261 1 1 1262 . 6 1 1 A 130 130 SER N N 130 111.100 111.722 -0.622 1 1 1263 . 6 1 1 A 131 131 GLU H H 131 7.060 7.604 -0.544 1 1 1264 . 6 1 1 A 131 131 GLU HA H 131 4.420 4.536 -0.116 1 1 1269 . 6 1 1 A 131 131 GLU CA C 131 54.400 55.128 -0.728 1 1 1270 . 6 1 1 A 131 131 GLU CB C 131 31.800 31.215 0.585 1 1 1272 . 6 1 1 A 131 131 GLU N N 131 114.400 117.736 -3.336 1 1 1273 . 6 1 1 A 132 132 PHE H H 132 8.740 8.602 0.138 1 1 1274 . 6 1 1 A 132 132 PHE HA H 132 5.390 5.615 -0.225 1 1 1282 . 6 1 1 A 132 132 PHE CA C 132 57.200 56.671 0.529 1 1 1283 . 6 1 1 A 132 132 PHE CB C 132 42.900 41.914 0.986 1 1 1287 . 6 1 1 A 132 132 PHE N N 132 117.300 117.553 -0.253 1 1 1288 . 6 1 1 A 133 133 HIS H H 133 9.870 9.632 0.238 1 1 1289 . 6 1 1 A 133 133 HIS HA H 133 5.380 5.207 0.173 1 1 1294 . 6 1 1 A 133 133 HIS CA C 133 53.300 54.585 -1.285 1 1 1295 . 6 1 1 A 133 133 HIS CB C 133 32.700 32.896 -0.196 1 1 1298 . 6 1 1 A 133 133 HIS N N 133 117.900 118.566 -0.666 1 1 1299 . 6 1 1 A 134 134 ARG H H 134 9.080 8.627 0.453 1 1 1300 . 6 1 1 A 134 134 ARG HA H 134 3.500 3.894 -0.394 1 1 1307 . 6 1 1 A 134 134 ARG CA C 134 57.100 56.392 0.708 1 1 1308 . 6 1 1 A 134 134 ARG CB C 134 30.100 30.721 -0.621 1 1 1311 . 6 1 1 A 134 134 ARG N N 134 125.600 123.863 1.737 1 1 1312 . 6 1 1 A 135 135 GLU H H 135 8.410 8.457 -0.047 1 1 1313 . 6 1 1 A 135 135 GLU HA H 135 4.550 4.913 -0.363 1 1 1318 . 6 1 1 A 135 135 GLU CA C 135 54.000 54.824 -0.824 1 1 1319 . 6 1 1 A 135 135 GLU CB C 135 33.000 33.355 -0.355 1 1 1321 . 6 1 1 A 135 135 GLU N N 135 128.500 126.652 1.848 1 1 1322 . 6 1 1 A 136 136 ASP H H 136 8.480 8.893 -0.413 1 1 1323 . 6 1 1 A 136 136 ASP HA H 136 4.460 5.273 -0.813 1 1 1326 . 6 1 1 A 136 136 ASP CA C 136 54.700 52.789 1.911 1 1 1327 . 6 1 1 A 136 136 ASP CB C 136 41.500 43.648 -2.148 1 1 1328 . 6 1 1 A 136 136 ASP N N 136 124.300 124.700 -0.400 1 1 1329 . 6 1 1 A 137 137 ILE H H 137 8.340 8.538 -0.198 1 1 1330 . 6 1 1 A 137 137 ILE HA H 137 4.570 4.512 0.058 1 1 1340 . 6 1 1 A 137 137 ILE CA C 137 61.400 60.193 1.207 1 1 1341 . 6 1 1 A 137 137 ILE CB C 137 38.600 37.413 1.187 1 1 1345 . 6 1 1 A 137 137 ILE N N 137 121.100 122.622 -1.522 1 1 1346 . 6 1 1 A 138 138 VAL H H 138 8.730 8.966 -0.236 1 1 1347 . 6 1 1 A 138 138 VAL HA H 138 4.570 4.663 -0.093 1 1 1355 . 6 1 1 A 138 138 VAL CA C 138 59.800 60.302 -0.502 1 1 1356 . 6 1 1 A 138 138 VAL CB C 138 34.700 35.778 -1.078 1 1 1359 . 6 1 1 A 138 138 VAL N N 138 125.100 127.720 -2.620 1 1 1360 . 6 1 1 A 139 139 ARG H H 139 8.390 8.317 0.073 1 1 1361 . 6 1 1 A 139 139 ARG HA H 139 5.210 4.848 0.362 1 1 1368 . 6 1 1 A 139 139 ARG CA C 139 53.500 52.722 0.778 1 1 1369 . 6 1 1 A 139 139 ARG CB C 139 30.100 30.684 -0.584 1 1 1372 . 6 1 1 A 139 139 ARG N N 139 122.800 125.497 -2.697 1 1 1373 . 6 1 1 A 140 140 PRO HA H 140 4.380 4.534 -0.154 1 1 1380 . 6 1 1 A 140 140 PRO CA C 140 62.400 62.397 0.003 1 1 1381 . 6 1 1 A 140 140 PRO CB C 140 32.000 32.482 -0.482 1 1 1384 . 6 1 1 A 141 141 ASP H H 141 8.520 8.468 0.052 1 1 1385 . 6 1 1 A 141 141 ASP HA H 141 4.780 4.665 0.115 1 1 1388 . 6 1 1 A 141 141 ASP CA C 141 54.500 52.826 1.674 1 1 1389 . 6 1 1 A 141 141 ASP CB C 141 40.600 39.713 0.887 1 1 1390 . 6 1 1 A 141 141 ASP N N 141 122.200 120.852 1.348 1 1 1391 . 6 1 1 A 142 142 PRO HA H 142 4.380 4.540 -0.160 1 1 1398 . 6 1 1 A 142 142 PRO CA C 142 63.500 62.907 0.593 1 1 1399 . 6 1 1 A 142 142 PRO CB C 142 32.000 29.910 2.090 1 1 1402 . 6 1 1 A 143 143 GLU H H 143 8.460 8.461 -0.001 1 1 1403 . 6 1 1 A 143 143 GLU HA H 143 4.260 4.493 -0.233 1 1 1408 . 6 1 1 A 143 143 GLU CA C 143 56.000 56.308 -0.308 1 1 1409 . 6 1 1 A 143 143 GLU CB C 143 30.000 31.543 -1.543 1 1 1411 . 6 1 1 A 143 143 GLU N N 143 119.500 118.065 1.435 1 1 1412 . 6 1 1 A 144 144 ALA H H 144 8.030 7.531 0.499 1 1 1413 . 6 1 1 A 144 144 ALA HA H 144 4.590 3.972 0.618 1 1 1417 . 6 1 1 A 144 144 ALA CA C 144 50.300 52.689 -2.389 1 1 1418 . 6 1 1 A 144 144 ALA CB C 144 18.300 17.535 0.765 1 1 1419 . 6 1 1 A 144 144 ALA N N 144 125.800 120.897 4.903 1 1 1420 . 6 1 1 A 145 145 PRO HA H 145 4.400 4.515 -0.115 1 1 1427 . 6 1 1 A 145 145 PRO CA C 145 62.900 62.971 -0.071 1 1 1428 . 6 1 1 A 145 145 PRO CB C 145 32.000 31.989 0.011 1 1 1431 . 6 1 1 A 146 146 LEU H H 146 8.330 8.204 0.126 1 1 1432 . 6 1 1 A 146 146 LEU HA H 146 4.230 5.092 -0.862 1 1 1442 . 6 1 1 A 146 146 LEU CA C 146 55.100 52.266 2.834 1 1 1443 . 6 1 1 A 146 146 LEU CB C 146 42.200 44.744 -2.544 1 1 1447 . 6 1 1 A 146 146 LEU N N 146 122.100 117.397 4.703 1 1 1448 . 6 1 1 A 147 147 GLU H H 147 8.300 8.539 -0.239 1 1 1449 . 6 1 1 A 147 147 GLU HA H 147 4.220 4.112 0.108 1 1 1454 . 6 1 1 A 147 147 GLU CA C 147 56.200 54.942 1.258 1 1 1455 . 6 1 1 A 147 147 GLU CB C 147 30.300 31.021 -0.721 1 1 13 . 7 1 1 A 2 2 LYS H H 2 9.020 9.395 -0.375 1 1 14 . 7 1 1 A 2 2 LYS HA H 2 5.640 5.468 0.172 1 1 23 . 7 1 1 A 2 2 LYS CA C 2 53.700 55.727 -2.027 1 1 24 . 7 1 1 A 2 2 LYS CB C 2 34.900 33.964 0.936 1 1 28 . 7 1 1 A 2 2 LYS N N 2 125.700 126.759 -1.059 1 1 29 . 7 1 1 A 3 3 THR H H 3 8.850 8.549 0.301 1 1 30 . 7 1 1 A 3 3 THR HA H 3 4.660 4.792 -0.132 1 1 36 . 7 1 1 A 3 3 THR CA C 3 61.600 60.485 1.115 1 1 37 . 7 1 1 A 3 3 THR CB C 3 68.200 70.138 -1.938 1 1 39 . 7 1 1 A 3 3 THR N N 3 117.000 116.090 0.910 1 1 40 . 7 1 1 A 4 4 THR H H 4 8.100 8.482 -0.382 1 1 41 . 7 1 1 A 4 4 THR HA H 4 4.790 4.972 -0.182 1 1 46 . 7 1 1 A 4 4 THR CA C 4 58.500 58.338 0.162 1 1 47 . 7 1 1 A 4 4 THR CB C 4 68.400 70.003 -1.603 1 1 49 . 7 1 1 A 4 4 THR N N 4 110.200 115.071 -4.871 1 1 50 . 7 1 1 A 5 5 PRO HA H 5 4.110 4.157 -0.047 1 1 57 . 7 1 1 A 5 5 PRO CA C 5 65.300 65.667 -0.367 1 1 58 . 7 1 1 A 5 5 PRO CB C 5 31.800 31.723 0.077 1 1 61 . 7 1 1 A 6 6 ASP H H 6 8.530 8.257 0.273 1 1 62 . 7 1 1 A 6 6 ASP HA H 6 4.350 4.338 0.012 1 1 65 . 7 1 1 A 6 6 ASP CA C 6 56.300 57.461 -1.161 1 1 66 . 7 1 1 A 6 6 ASP CB C 6 39.500 40.461 -0.961 1 1 67 . 7 1 1 A 6 6 ASP N N 6 114.600 117.080 -2.480 1 1 68 . 7 1 1 A 7 7 ILE H H 7 7.270 7.654 -0.384 1 1 69 . 7 1 1 A 7 7 ILE HA H 7 3.620 3.695 -0.075 1 1 79 . 7 1 1 A 7 7 ILE CA C 7 61.900 65.339 -3.439 1 1 80 . 7 1 1 A 7 7 ILE CB C 7 34.900 37.816 -2.916 1 1 84 . 7 1 1 A 7 7 ILE N N 7 121.700 120.121 1.579 1 1 85 . 7 1 1 A 8 8 LEU H H 8 6.960 8.033 -1.073 1 1 86 . 7 1 1 A 8 8 LEU HA H 8 3.710 3.886 -0.176 1 1 96 . 7 1 1 A 8 8 LEU CA C 8 57.800 58.050 -0.250 1 1 97 . 7 1 1 A 8 8 LEU CB C 8 39.900 41.078 -1.178 1 1 101 . 7 1 1 A 8 8 LEU N N 8 117.200 119.505 -2.305 1 1 102 . 7 1 1 A 9 9 ASP H H 9 8.220 8.550 -0.330 1 1 103 . 7 1 1 A 9 9 ASP HA H 9 4.330 4.275 0.055 1 1 106 . 7 1 1 A 9 9 ASP CA C 9 57.600 57.943 -0.343 1 1 107 . 7 1 1 A 9 9 ASP CB C 9 40.100 41.108 -1.008 1 1 108 . 7 1 1 A 9 9 ASP N N 9 117.600 119.457 -1.857 1 1 109 . 7 1 1 A 10 10 GLN H H 10 7.630 8.062 -0.432 1 1 110 . 7 1 1 A 10 10 GLN HA H 10 3.850 4.030 -0.180 1 1 117 . 7 1 1 A 10 10 GLN CA C 10 59.200 58.893 0.307 1 1 118 . 7 1 1 A 10 10 GLN CB C 10 29.300 28.444 0.856 1 1 120 . 7 1 1 A 10 10 GLN N N 10 118.700 118.081 0.619 1 1 122 . 7 1 1 A 11 11 ILE H H 11 7.590 8.114 -0.524 1 1 123 . 7 1 1 A 11 11 ILE HA H 11 2.960 3.605 -0.645 1 1 133 . 7 1 1 A 11 11 ILE CA C 11 65.800 65.558 0.242 1 1 134 . 7 1 1 A 11 11 ILE CB C 11 37.500 37.669 -0.169 1 1 138 . 7 1 1 A 11 11 ILE N N 11 121.700 121.218 0.482 1 1 139 . 7 1 1 A 12 12 ARG H H 12 7.720 7.848 -0.128 1 1 140 . 7 1 1 A 12 12 ARG HA H 12 3.610 4.064 -0.454 1 1 147 . 7 1 1 A 12 12 ARG CA C 12 61.300 59.765 1.535 1 1 148 . 7 1 1 A 12 12 ARG CB C 12 30.100 30.267 -0.167 1 1 151 . 7 1 1 A 12 12 ARG N N 12 118.400 120.291 -1.891 1 1 152 . 7 1 1 A 13 13 VAL H H 13 8.480 8.032 0.448 1 1 153 . 7 1 1 A 13 13 VAL HA H 13 3.640 3.563 0.077 1 1 161 . 7 1 1 A 13 13 VAL CA C 13 66.400 66.469 -0.069 1 1 162 . 7 1 1 A 13 13 VAL CB C 13 31.600 31.516 0.084 1 1 165 . 7 1 1 A 13 13 VAL N N 13 118.400 119.694 -1.294 1 1 166 . 7 1 1 A 14 14 HIS H H 14 7.790 8.482 -0.692 1 1 167 . 7 1 1 A 14 14 HIS HA H 14 4.620 4.373 0.247 1 1 172 . 7 1 1 A 14 14 HIS CA C 14 57.500 58.321 -0.821 1 1 173 . 7 1 1 A 14 14 HIS CB C 14 31.100 28.597 2.503 1 1 176 . 7 1 1 A 14 14 HIS N N 14 119.600 117.472 2.128 1 1 177 . 7 1 1 A 15 15 GLY H H 15 8.290 8.448 -0.158 1 1 178 . 7 1 1 A 15 15 GLY HA2 H 15 3.400 3.884 -0.484 1 1 179 . 7 1 1 A 15 15 GLY HA3 H 15 3.620 3.937 -0.317 1 1 180 . 7 1 1 A 15 15 GLY CA C 15 47.800 47.361 0.439 1 1 181 . 7 1 1 A 15 15 GLY N N 15 104.200 107.575 -3.375 1 1 182 . 7 1 1 A 16 16 ALA H H 16 8.650 7.982 0.668 1 1 183 . 7 1 1 A 16 16 ALA HA H 16 3.940 3.999 -0.059 1 1 187 . 7 1 1 A 16 16 ALA CA C 16 55.500 54.549 0.951 1 1 188 . 7 1 1 A 16 16 ALA CB C 16 18.600 18.221 0.379 1 1 189 . 7 1 1 A 16 16 ALA N N 16 125.700 125.094 0.606 1 1 190 . 7 1 1 A 17 17 ASP H H 17 9.020 8.513 0.507 1 1 191 . 7 1 1 A 17 17 ASP HA H 17 4.420 4.404 0.016 1 1 194 . 7 1 1 A 17 17 ASP CA C 17 56.700 57.199 -0.499 1 1 195 . 7 1 1 A 17 17 ASP CB C 17 41.300 42.280 -0.980 1 1 196 . 7 1 1 A 17 17 ASP N N 17 119.300 118.834 0.466 1 1 197 . 7 1 1 A 18 18 ALA H H 18 8.210 7.554 0.656 1 1 198 . 7 1 1 A 18 18 ALA HA H 18 4.180 4.137 0.043 1 1 202 . 7 1 1 A 18 18 ALA CA C 18 53.100 55.183 -2.083 1 1 203 . 7 1 1 A 18 18 ALA CB C 18 19.000 18.430 0.570 1 1 204 . 7 1 1 A 18 18 ALA N N 18 118.300 120.066 -1.766 1 1 205 . 7 1 1 A 19 19 TYR H H 19 7.080 7.584 -0.504 1 1 206 . 7 1 1 A 19 19 TYR HA H 19 4.190 4.603 -0.413 1 1 213 . 7 1 1 A 19 19 TYR CA C 19 58.300 57.330 0.970 1 1 214 . 7 1 1 A 19 19 TYR CB C 19 39.100 38.045 1.055 1 1 217 . 7 1 1 A 19 19 TYR N N 19 118.200 117.804 0.396 1 1 218 . 7 1 1 A 20 20 PRO HA H 20 2.690 4.602 -1.912 1 1 225 . 7 1 1 A 20 20 PRO CA C 20 63.300 63.793 -0.493 1 1 226 . 7 1 1 A 20 20 PRO CB C 20 33.500 32.518 0.982 1 1 229 . 7 1 1 A 21 21 GLU H H 21 8.660 7.698 0.962 1 1 230 . 7 1 1 A 21 21 GLU HA H 21 4.420 4.513 -0.093 1 1 235 . 7 1 1 A 21 21 GLU CA C 21 55.300 55.578 -0.278 1 1 236 . 7 1 1 A 21 21 GLU CB C 21 30.400 30.971 -0.571 1 1 238 . 7 1 1 A 21 21 GLU N N 21 124.800 120.785 4.015 1 1 239 . 7 1 1 A 22 22 GLU H H 22 8.290 8.412 -0.122 1 1 240 . 7 1 1 A 22 22 GLU HA H 22 3.990 4.581 -0.591 1 1 245 . 7 1 1 A 22 22 GLU CA C 22 56.400 55.479 0.921 1 1 246 . 7 1 1 A 22 22 GLU CB C 22 30.900 30.838 0.062 1 1 248 . 7 1 1 A 22 22 GLU N N 22 119.700 120.276 -0.576 1 1 249 . 7 1 1 A 23 23 GLY H H 23 8.770 8.501 0.269 1 1 250 . 7 1 1 A 23 23 GLY HA2 H 23 2.430 4.015 -1.585 1 1 251 . 7 1 1 A 23 23 GLY HA3 H 23 4.270 4.055 0.215 1 1 252 . 7 1 1 A 23 23 GLY CA C 23 42.900 46.350 -3.450 1 1 253 . 7 1 1 A 23 23 GLY N N 23 112.400 109.389 3.011 1 1 254 . 7 1 1 A 24 24 CYS H H 24 8.580 7.824 0.756 1 1 255 . 7 1 1 A 24 24 CYS HA H 24 4.630 3.894 0.736 1 1 258 . 7 1 1 A 24 24 CYS CA C 24 54.900 59.049 -4.149 1 1 259 . 7 1 1 A 24 24 CYS CB C 24 31.300 27.170 4.130 1 1 260 . 7 1 1 A 24 24 CYS N N 24 118.100 117.742 0.358 1 1 261 . 7 1 1 A 25 25 GLY H H 25 6.730 7.392 -0.662 1 1 262 . 7 1 1 A 25 25 GLY HA2 H 25 3.650 3.862 -0.212 1 1 263 . 7 1 1 A 25 25 GLY HA3 H 25 4.030 3.970 0.060 1 1 264 . 7 1 1 A 25 25 GLY CA C 25 45.900 44.227 1.673 1 1 265 . 7 1 1 A 25 25 GLY N N 25 104.600 107.760 -3.160 1 1 266 . 7 1 1 A 26 26 PHE H H 26 9.350 8.516 0.834 1 1 267 . 7 1 1 A 26 26 PHE HA H 26 5.130 5.356 -0.226 1 1 275 . 7 1 1 A 26 26 PHE CA C 26 56.900 56.690 0.210 1 1 276 . 7 1 1 A 26 26 PHE CB C 26 43.300 43.458 -0.158 1 1 280 . 7 1 1 A 26 26 PHE N N 26 114.900 120.482 -5.582 1 1 281 . 7 1 1 A 27 27 LEU H H 27 8.320 9.618 -1.298 1 1 282 . 7 1 1 A 27 27 LEU HA H 27 4.590 5.205 -0.615 1 1 292 . 7 1 1 A 27 27 LEU CA C 27 52.900 53.455 -0.555 1 1 293 . 7 1 1 A 27 27 LEU CB C 27 41.200 43.965 -2.765 1 1 297 . 7 1 1 A 27 27 LEU N N 27 119.100 121.836 -2.736 1 1 298 . 7 1 1 A 28 28 LEU H H 28 9.050 9.315 -0.265 1 1 299 . 7 1 1 A 28 28 LEU HA H 28 5.390 5.487 -0.097 1 1 309 . 7 1 1 A 28 28 LEU CA C 28 51.900 53.060 -1.160 1 1 310 . 7 1 1 A 28 28 LEU CB C 28 42.900 44.976 -2.076 1 1 314 . 7 1 1 A 28 28 LEU N N 28 123.500 124.558 -1.058 1 1 315 . 7 1 1 A 29 29 GLY H H 29 9.950 8.128 1.822 1 1 316 . 7 1 1 A 29 29 GLY HA2 H 29 5.270 4.273 0.997 1 1 317 . 7 1 1 A 29 29 GLY HA3 H 29 3.900 4.282 -0.382 1 1 318 . 7 1 1 A 29 29 GLY CA C 29 46.700 46.150 0.550 1 1 319 . 7 1 1 A 29 29 GLY N N 29 112.400 109.763 2.637 1 1 320 . 7 1 1 A 30 30 THR H H 30 8.810 8.788 0.022 1 1 321 . 7 1 1 A 30 30 THR HA H 30 4.810 5.120 -0.310 1 1 326 . 7 1 1 A 30 30 THR CA C 30 59.900 59.444 0.456 1 1 327 . 7 1 1 A 30 30 THR CB C 30 72.200 71.633 0.567 1 1 329 . 7 1 1 A 30 30 THR N N 30 116.000 112.423 3.577 1 1 330 . 7 1 1 A 31 31 VAL H H 31 8.530 8.948 -0.418 1 1 331 . 7 1 1 A 31 31 VAL HA H 31 4.830 4.212 0.618 1 1 339 . 7 1 1 A 31 31 VAL CA C 31 61.900 62.778 -0.878 1 1 340 . 7 1 1 A 31 31 VAL CB C 31 32.200 31.670 0.530 1 1 343 . 7 1 1 A 31 31 VAL N N 31 124.200 123.109 1.091 1 1 344 . 7 1 1 A 32 32 THR H H 32 9.040 8.754 0.286 1 1 345 . 7 1 1 A 32 32 THR HA H 32 4.580 4.270 0.310 1 1 350 . 7 1 1 A 32 32 THR CA C 32 61.200 64.892 -3.692 1 1 351 . 7 1 1 A 32 32 THR CB C 32 70.700 69.221 1.479 1 1 353 . 7 1 1 A 32 32 THR N N 32 118.900 121.570 -2.670 1 1 354 . 7 1 1 A 33 33 ASP H H 33 8.980 7.481 1.499 1 1 355 . 7 1 1 A 33 33 ASP HA H 33 4.400 4.733 -0.333 1 1 358 . 7 1 1 A 33 33 ASP CA C 33 56.800 53.681 3.119 1 1 359 . 7 1 1 A 33 33 ASP CB C 33 40.100 41.261 -1.161 1 1 360 . 7 1 1 A 33 33 ASP N N 33 121.100 118.171 2.929 1 1 361 . 7 1 1 A 34 34 ASP H H 34 7.960 8.312 -0.352 1 1 362 . 7 1 1 A 34 34 ASP HA H 34 4.640 4.323 0.317 1 1 365 . 7 1 1 A 34 34 ASP CA C 34 53.500 55.143 -1.643 1 1 366 . 7 1 1 A 34 34 ASP CB C 34 40.400 40.555 -0.155 1 1 367 . 7 1 1 A 34 34 ASP N N 34 115.400 118.278 -2.878 1 1 368 . 7 1 1 A 35 35 GLY H H 35 8.080 8.103 -0.023 1 1 369 . 7 1 1 A 35 35 GLY HA2 H 35 3.590 4.096 -0.506 1 1 370 . 7 1 1 A 35 35 GLY HA3 H 35 4.200 4.098 0.102 1 1 371 . 7 1 1 A 35 35 GLY CA C 35 45.400 45.584 -0.184 1 1 372 . 7 1 1 A 35 35 GLY N N 35 108.400 105.022 3.378 1 1 373 . 7 1 1 A 36 36 ASP H H 36 7.690 8.116 -0.426 1 1 374 . 7 1 1 A 36 36 ASP HA H 36 4.790 5.008 -0.218 1 1 377 . 7 1 1 A 36 36 ASP CA C 36 51.900 52.692 -0.792 1 1 378 . 7 1 1 A 36 36 ASP CB C 36 42.300 44.382 -2.082 1 1 379 . 7 1 1 A 36 36 ASP N N 36 120.100 121.563 -1.463 1 1 380 . 7 1 1 A 37 37 ASN H H 37 8.920 8.944 -0.024 1 1 381 . 7 1 1 A 37 37 ASN HA H 37 5.180 5.552 -0.372 1 1 386 . 7 1 1 A 37 37 ASN CA C 37 52.900 51.748 1.152 1 1 387 . 7 1 1 A 37 37 ASN CB C 37 38.800 40.900 -2.100 1 1 388 . 7 1 1 A 37 37 ASN N N 37 119.000 120.571 -1.571 1 1 390 . 7 1 1 A 38 38 ARG H H 38 9.480 9.317 0.163 1 1 391 . 7 1 1 A 38 38 ARG HA H 38 5.310 5.474 -0.164 1 1 398 . 7 1 1 A 38 38 ARG CA C 38 53.500 54.536 -1.036 1 1 399 . 7 1 1 A 38 38 ARG CB C 38 31.000 33.587 -2.587 1 1 402 . 7 1 1 A 38 38 ARG N N 38 126.900 121.791 5.109 1 1 403 . 7 1 1 A 39 39 VAL H H 39 8.810 9.062 -0.252 1 1 404 . 7 1 1 A 39 39 VAL HA H 39 4.150 4.367 -0.217 1 1 412 . 7 1 1 A 39 39 VAL CA C 39 62.800 62.236 0.564 1 1 413 . 7 1 1 A 39 39 VAL CB C 39 33.100 32.148 0.952 1 1 416 . 7 1 1 A 39 39 VAL N N 39 125.700 126.809 -1.109 1 1 417 . 7 1 1 A 40 40 ALA H H 40 9.680 8.660 1.020 1 1 418 . 7 1 1 A 40 40 ALA HA H 40 4.690 4.607 0.083 1 1 422 . 7 1 1 A 40 40 ALA CA C 40 51.300 51.922 -0.622 1 1 423 . 7 1 1 A 40 40 ALA CB C 40 22.700 20.695 2.005 1 1 424 . 7 1 1 A 40 40 ALA N N 40 102.300 129.171 -26.871 1 1 425 . 7 1 1 A 41 41 ALA H H 41 8.370 7.921 0.449 1 1 426 . 7 1 1 A 41 41 ALA HA H 41 4.530 4.956 -0.426 1 1 430 . 7 1 1 A 41 41 ALA CA C 41 51.700 51.203 0.497 1 1 431 . 7 1 1 A 41 41 ALA CB C 41 22.200 23.143 -0.943 1 1 432 . 7 1 1 A 41 41 ALA N N 41 120.200 118.777 1.423 1 1 433 . 7 1 1 A 42 42 LEU H H 42 8.690 8.668 0.022 1 1 434 . 7 1 1 A 42 42 LEU HA H 42 5.320 5.252 0.068 1 1 444 . 7 1 1 A 42 42 LEU CA C 42 53.500 53.755 -0.255 1 1 445 . 7 1 1 A 42 42 LEU CB C 42 46.300 44.274 2.026 1 1 449 . 7 1 1 A 42 42 LEU N N 42 118.300 120.789 -2.489 1 1 450 . 7 1 1 A 43 43 HIS H H 43 8.820 9.019 -0.199 1 1 451 . 7 1 1 A 43 43 HIS HA H 43 4.870 5.381 -0.511 1 1 456 . 7 1 1 A 43 43 HIS CA C 43 56.300 53.779 2.521 1 1 457 . 7 1 1 A 43 43 HIS CB C 43 34.200 32.854 1.346 1 1 460 . 7 1 1 A 43 43 HIS N N 43 120.700 124.606 -3.906 1 1 461 . 7 1 1 A 44 44 ARG H H 44 8.580 8.900 -0.320 1 1 462 . 7 1 1 A 44 44 ARG HA H 44 4.420 4.818 -0.398 1 1 469 . 7 1 1 A 44 44 ARG CA C 44 57.400 54.958 2.442 1 1 470 . 7 1 1 A 44 44 ARG CB C 44 31.100 31.404 -0.304 1 1 473 . 7 1 1 A 44 44 ARG N N 44 128.300 126.190 2.110 1 1 474 . 7 1 1 A 45 45 ALA H H 45 8.580 8.963 -0.383 1 1 475 . 7 1 1 A 45 45 ALA HA H 45 4.720 3.897 0.823 1 1 479 . 7 1 1 A 45 45 ALA CA C 45 51.500 55.357 -3.857 1 1 480 . 7 1 1 A 45 45 ALA CB C 45 20.200 18.237 1.963 1 1 481 . 7 1 1 A 45 45 ALA N N 45 125.700 125.053 0.647 1 1 482 . 7 1 1 A 46 46 THR H H 46 8.250 7.862 0.388 1 1 483 . 7 1 1 A 46 46 THR HA H 46 4.270 4.216 0.054 1 1 488 . 7 1 1 A 46 46 THR CA C 46 62.000 64.303 -2.303 1 1 489 . 7 1 1 A 46 46 THR CB C 46 69.900 68.147 1.753 1 1 491 . 7 1 1 A 46 46 THR N N 46 115.500 112.239 3.261 1 1 492 . 7 1 1 A 47 47 ASN H H 47 8.590 7.888 0.702 1 1 493 . 7 1 1 A 47 47 ASN HA H 47 4.620 4.896 -0.276 1 1 498 . 7 1 1 A 47 47 ASN CA C 47 53.400 52.199 1.201 1 1 499 . 7 1 1 A 47 47 ASN CB C 47 38.400 37.778 0.622 1 1 500 . 7 1 1 A 47 47 ASN N N 47 122.400 120.126 2.274 1 1 502 . 7 1 1 A 50 50 SER H H 50 8.480 8.182 0.298 1 1 503 . 7 1 1 A 50 50 SER HA H 50 4.400 5.098 -0.698 1 1 506 . 7 1 1 A 50 50 SER CA C 50 58.900 56.736 2.164 1 1 507 . 7 1 1 A 50 50 SER CB C 50 63.600 65.606 -2.006 1 1 508 . 7 1 1 A 50 50 SER N N 50 116.600 119.693 -3.093 1 1 509 . 7 1 1 A 51 51 GLU H H 51 8.510 8.460 0.050 1 1 510 . 7 1 1 A 51 51 GLU HA H 51 4.300 4.527 -0.227 1 1 515 . 7 1 1 A 51 51 GLU CA C 51 56.800 55.770 1.030 1 1 516 . 7 1 1 A 51 51 GLU CB C 51 29.900 29.177 0.723 1 1 518 . 7 1 1 A 51 51 GLU N N 51 121.800 124.455 -2.655 1 1 519 . 7 1 1 A 52 52 GLN H H 52 8.300 8.242 0.058 1 1 520 . 7 1 1 A 52 52 GLN HA H 52 4.310 4.500 -0.190 1 1 527 . 7 1 1 A 52 52 GLN CA C 52 55.900 55.693 0.207 1 1 528 . 7 1 1 A 52 52 GLN CB C 52 29.000 29.597 -0.597 1 1 530 . 7 1 1 A 52 52 GLN N N 52 119.500 125.663 -6.163 1 1 532 . 7 1 1 A 53 53 ARG H H 53 8.350 9.270 -0.920 1 1 533 . 7 1 1 A 53 53 ARG HA H 53 4.310 4.032 0.278 1 1 540 . 7 1 1 A 53 53 ARG CA C 53 56.800 59.184 -2.384 1 1 541 . 7 1 1 A 53 53 ARG CB C 53 30.700 30.571 0.129 1 1 544 . 7 1 1 A 53 53 ARG N N 53 121.000 127.526 -6.526 1 1 545 . 7 1 1 A 54 54 THR H H 54 8.140 8.126 0.014 1 1 546 . 7 1 1 A 54 54 THR HA H 54 4.340 4.372 -0.032 1 1 551 . 7 1 1 A 54 54 THR CA C 54 61.900 62.070 -0.170 1 1 552 . 7 1 1 A 54 54 THR CB C 54 69.600 68.415 1.185 1 1 554 . 7 1 1 A 54 54 THR N N 54 113.100 114.488 -1.388 1 1 555 . 7 1 1 A 64 64 TYR H H 64 8.220 8.270 -0.050 1 1 556 . 7 1 1 A 64 64 TYR HA H 64 3.360 3.844 -0.484 1 1 563 . 7 1 1 A 64 64 TYR CA C 64 61.600 60.944 0.656 1 1 564 . 7 1 1 A 64 64 TYR CB C 64 37.700 38.568 -0.868 1 1 567 . 7 1 1 A 64 64 TYR N N 64 120.700 121.308 -0.608 1 1 568 . 7 1 1 A 65 65 ARG H H 65 8.340 8.723 -0.383 1 1 569 . 7 1 1 A 65 65 ARG HA H 65 3.930 3.839 0.091 1 1 576 . 7 1 1 A 65 65 ARG CA C 65 59.600 59.619 -0.019 1 1 577 . 7 1 1 A 65 65 ARG CB C 65 30.100 29.727 0.373 1 1 580 . 7 1 1 A 65 65 ARG N N 65 119.200 118.345 0.855 1 1 581 . 7 1 1 A 66 66 ALA H H 66 7.790 8.155 -0.365 1 1 582 . 7 1 1 A 66 66 ALA HA H 66 4.090 4.114 -0.024 1 1 586 . 7 1 1 A 66 66 ALA CA C 66 54.700 54.799 -0.099 1 1 587 . 7 1 1 A 66 66 ALA CB C 66 18.100 18.281 -0.181 1 1 588 . 7 1 1 A 66 66 ALA N N 66 121.900 121.916 -0.016 1 1 589 . 7 1 1 A 67 67 ALA H H 67 7.550 7.678 -0.128 1 1 590 . 7 1 1 A 67 67 ALA HA H 67 2.940 3.770 -0.830 1 1 594 . 7 1 1 A 67 67 ALA CA C 67 54.300 54.779 -0.479 1 1 595 . 7 1 1 A 67 67 ALA CB C 67 18.000 17.400 0.600 1 1 596 . 7 1 1 A 67 67 ALA N N 67 123.000 120.368 2.632 1 1 597 . 7 1 1 A 68 68 ASP H H 68 8.320 8.121 0.199 1 1 598 . 7 1 1 A 68 68 ASP HA H 68 4.100 4.190 -0.090 1 1 601 . 7 1 1 A 68 68 ASP CA C 68 56.800 56.639 0.161 1 1 602 . 7 1 1 A 68 68 ASP CB C 68 41.400 40.754 0.646 1 1 603 . 7 1 1 A 68 68 ASP N N 68 118.100 118.212 -0.112 1 1 604 . 7 1 1 A 69 69 ALA H H 69 7.790 8.206 -0.416 1 1 605 . 7 1 1 A 69 69 ALA HA H 69 4.010 4.046 -0.036 1 1 609 . 7 1 1 A 69 69 ALA CA C 69 55.000 55.105 -0.105 1 1 610 . 7 1 1 A 69 69 ALA CB C 69 17.600 18.224 -0.624 1 1 611 . 7 1 1 A 69 69 ALA N N 69 121.200 120.806 0.394 1 1 612 . 7 1 1 A 70 70 ALA H H 70 7.490 8.174 -0.684 1 1 613 . 7 1 1 A 70 70 ALA HA H 70 4.070 3.997 0.073 1 1 617 . 7 1 1 A 70 70 ALA CA C 70 54.500 54.975 -0.475 1 1 618 . 7 1 1 A 70 70 ALA CB C 70 17.900 18.247 -0.347 1 1 619 . 7 1 1 A 70 70 ALA N N 70 121.200 119.982 1.218 1 1 620 . 7 1 1 A 71 71 ALA H H 71 8.620 8.019 0.601 1 1 621 . 7 1 1 A 71 71 ALA HA H 71 3.660 4.009 -0.349 1 1 625 . 7 1 1 A 71 71 ALA CA C 71 55.300 55.384 -0.084 1 1 626 . 7 1 1 A 71 71 ALA CB C 71 17.800 18.137 -0.337 1 1 627 . 7 1 1 A 71 71 ALA N N 71 121.600 120.688 0.912 1 1 628 . 7 1 1 A 72 72 GLN H H 72 8.700 8.460 0.240 1 1 629 . 7 1 1 A 72 72 GLN HA H 72 4.080 3.936 0.144 1 1 636 . 7 1 1 A 72 72 GLN CA C 72 59.000 59.392 -0.392 1 1 637 . 7 1 1 A 72 72 GLN CB C 72 28.000 28.213 -0.213 1 1 639 . 7 1 1 A 72 72 GLN N N 72 118.600 117.839 0.761 1 1 641 . 7 1 1 A 73 73 GLU H H 73 7.640 8.892 -1.252 1 1 642 . 7 1 1 A 73 73 GLU HA H 73 4.080 4.056 0.024 1 1 647 . 7 1 1 A 73 73 GLU CA C 73 58.800 59.282 -0.482 1 1 648 . 7 1 1 A 73 73 GLU CB C 73 29.600 29.417 0.183 1 1 650 . 7 1 1 A 73 73 GLU N N 73 119.000 119.344 -0.344 1 1 651 . 7 1 1 A 74 74 GLN H H 74 7.400 7.730 -0.330 1 1 652 . 7 1 1 A 74 74 GLN HA H 74 4.470 4.397 0.073 1 1 659 . 7 1 1 A 74 74 GLN CA C 74 55.000 55.535 -0.535 1 1 660 . 7 1 1 A 74 74 GLN CB C 74 30.900 29.349 1.551 1 1 662 . 7 1 1 A 74 74 GLN N N 74 114.600 116.680 -2.080 1 1 664 . 7 1 1 A 75 75 GLY H H 75 7.830 8.340 -0.510 1 1 665 . 7 1 1 A 75 75 GLY HA2 H 75 3.950 3.970 -0.020 1 1 666 . 7 1 1 A 75 75 GLY HA3 H 75 3.870 3.977 -0.107 1 1 667 . 7 1 1 A 75 75 GLY CA C 75 46.500 46.163 0.337 1 1 668 . 7 1 1 A 75 75 GLY N N 75 109.300 109.201 0.099 1 1 669 . 7 1 1 A 76 76 LEU H H 76 8.110 8.478 -0.368 1 1 670 . 7 1 1 A 76 76 LEU HA H 76 4.650 4.968 -0.318 1 1 680 . 7 1 1 A 76 76 LEU CA C 76 52.500 53.104 -0.604 1 1 681 . 7 1 1 A 76 76 LEU CB C 76 45.700 45.311 0.389 1 1 685 . 7 1 1 A 76 76 LEU N N 76 119.300 120.565 -1.265 1 1 686 . 7 1 1 A 77 77 ASP H H 77 8.990 8.922 0.068 1 1 687 . 7 1 1 A 77 77 ASP HA H 77 5.120 5.024 0.096 1 1 690 . 7 1 1 A 77 77 ASP CA C 77 52.600 52.963 -0.363 1 1 691 . 7 1 1 A 77 77 ASP CB C 77 44.600 43.770 0.830 1 1 692 . 7 1 1 A 77 77 ASP N N 77 117.600 118.053 -0.453 1 1 693 . 7 1 1 A 78 78 VAL H H 78 9.070 8.918 0.152 1 1 694 . 7 1 1 A 78 78 VAL HA H 78 4.090 4.117 -0.027 1 1 702 . 7 1 1 A 78 78 VAL CA C 78 63.900 63.229 0.671 1 1 703 . 7 1 1 A 78 78 VAL CB C 78 30.900 31.137 -0.237 1 1 706 . 7 1 1 A 78 78 VAL N N 78 121.900 121.025 0.875 1 1 707 . 7 1 1 A 79 79 VAL H H 79 8.360 8.908 -0.548 1 1 708 . 7 1 1 A 79 79 VAL HA H 79 4.300 4.538 -0.238 1 1 716 . 7 1 1 A 79 79 VAL CA C 79 59.500 62.323 -2.823 1 1 717 . 7 1 1 A 79 79 VAL CB C 79 32.600 32.962 -0.362 1 1 720 . 7 1 1 A 79 79 VAL N N 79 116.700 122.063 -5.363 1 1 721 . 7 1 1 A 80 80 GLY H H 80 6.970 7.370 -0.400 1 1 722 . 7 1 1 A 80 80 GLY HA2 H 80 4.380 4.165 0.215 1 1 723 . 7 1 1 A 80 80 GLY HA3 H 80 3.550 4.310 -0.760 1 1 724 . 7 1 1 A 80 80 GLY CA C 80 46.900 46.163 0.737 1 1 725 . 7 1 1 A 80 80 GLY N N 80 106.200 109.159 -2.959 1 1 726 . 7 1 1 A 81 81 VAL H H 81 8.510 8.855 -0.345 1 1 727 . 7 1 1 A 81 81 VAL HA H 81 4.900 5.135 -0.235 1 1 735 . 7 1 1 A 81 81 VAL CA C 81 59.400 60.318 -0.918 1 1 736 . 7 1 1 A 81 81 VAL CB C 81 37.600 35.872 1.728 1 1 739 . 7 1 1 A 81 81 VAL N N 81 116.200 119.612 -3.412 1 1 740 . 7 1 1 A 82 82 TYR H H 82 8.370 8.712 -0.342 1 1 741 . 7 1 1 A 82 82 TYR HA H 82 6.000 6.145 -0.145 1 1 748 . 7 1 1 A 82 82 TYR CA C 82 54.900 55.681 -0.781 1 1 749 . 7 1 1 A 82 82 TYR CB C 82 42.800 42.374 0.426 1 1 752 . 7 1 1 A 82 82 TYR N N 82 118.100 120.868 -2.768 1 1 753 . 7 1 1 A 83 83 HIS H H 83 8.520 9.112 -0.592 1 1 754 . 7 1 1 A 83 83 HIS HA H 83 5.150 5.221 -0.071 1 1 759 . 7 1 1 A 83 83 HIS CA C 83 54.900 54.300 0.600 1 1 760 . 7 1 1 A 83 83 HIS CB C 83 33.200 33.197 0.003 1 1 763 . 7 1 1 A 83 83 HIS N N 83 115.400 123.056 -7.656 1 1 764 . 7 1 1 A 84 84 SER H H 84 9.060 8.479 0.581 1 1 765 . 7 1 1 A 84 84 SER HA H 84 5.590 5.170 0.420 1 1 768 . 7 1 1 A 84 84 SER CA C 84 55.800 56.868 -1.068 1 1 769 . 7 1 1 A 84 84 SER CB C 84 65.500 65.475 0.025 1 1 770 . 7 1 1 A 84 84 SER N N 84 117.100 123.084 -5.984 1 1 771 . 7 1 1 A 85 85 HIS H H 85 8.980 8.369 0.611 1 1 772 . 7 1 1 A 85 85 HIS HA H 85 4.830 4.868 -0.038 1 1 777 . 7 1 1 A 85 85 HIS CA C 85 50.400 53.688 -3.288 1 1 778 . 7 1 1 A 85 85 HIS CB C 85 32.000 32.929 -0.929 1 1 781 . 7 1 1 A 85 85 HIS N N 85 117.600 121.186 -3.586 1 1 782 . 7 1 1 A 86 86 PRO HA H 86 5.080 4.991 0.089 1 1 789 . 7 1 1 A 86 86 PRO CA C 86 62.400 64.206 -1.806 1 1 790 . 7 1 1 A 86 86 PRO CB C 86 32.400 32.056 0.344 1 1 793 . 7 1 1 A 87 87 ASP H H 87 10.300 7.740 2.560 1 1 794 . 7 1 1 A 87 87 ASP HA H 87 4.320 5.007 -0.687 1 1 797 . 7 1 1 A 87 87 ASP CA C 87 56.600 54.290 2.310 1 1 798 . 7 1 1 A 87 87 ASP CB C 87 39.600 42.535 -2.935 1 1 799 . 7 1 1 A 87 87 ASP N N 87 123.100 117.490 5.610 1 1 800 . 7 1 1 A 88 88 HIS H H 88 7.500 8.833 -1.333 1 1 801 . 7 1 1 A 88 88 HIS HA H 88 5.050 4.825 0.225 1 1 806 . 7 1 1 A 88 88 HIS CA C 88 54.700 54.620 0.080 1 1 807 . 7 1 1 A 88 88 HIS CB C 88 32.400 33.205 -0.805 1 1 810 . 7 1 1 A 88 88 HIS N N 88 115.000 124.266 -9.266 1 1 811 . 7 1 1 A 89 89 PRO HA H 89 4.370 4.540 -0.170 1 1 818 . 7 1 1 A 89 89 PRO CA C 89 62.700 62.666 0.034 1 1 819 . 7 1 1 A 89 89 PRO CB C 89 31.600 29.540 2.060 1 1 822 . 7 1 1 A 90 90 ALA H H 90 8.020 8.287 -0.267 1 1 823 . 7 1 1 A 90 90 ALA HA H 90 4.290 4.099 0.191 1 1 827 . 7 1 1 A 90 90 ALA CA C 90 50.800 53.474 -2.674 1 1 828 . 7 1 1 A 90 90 ALA CB C 90 16.600 17.690 -1.090 1 1 829 . 7 1 1 A 90 90 ALA N N 90 125.800 119.556 6.244 1 1 830 . 7 1 1 A 91 91 ARG H H 91 7.990 7.641 0.349 1 1 831 . 7 1 1 A 91 91 ARG HA H 91 4.300 4.706 -0.406 1 1 838 . 7 1 1 A 91 91 ARG CA C 91 53.100 53.246 -0.146 1 1 839 . 7 1 1 A 91 91 ARG CB C 91 31.800 32.425 -0.625 1 1 842 . 7 1 1 A 91 91 ARG N N 91 121.900 112.918 8.982 1 1 843 . 7 1 1 A 92 92 PRO HA H 92 4.070 4.255 -0.185 1 1 850 . 7 1 1 A 92 92 PRO CA C 92 62.300 62.179 0.121 1 1 851 . 7 1 1 A 92 92 PRO CB C 92 32.500 31.639 0.861 1 1 854 . 7 1 1 A 93 93 SER H H 93 9.960 8.586 1.374 1 1 855 . 7 1 1 A 93 93 SER HA H 93 4.630 4.692 -0.062 1 1 858 . 7 1 1 A 93 93 SER CA C 93 56.300 56.658 -0.358 1 1 859 . 7 1 1 A 93 93 SER CB C 93 66.500 65.013 1.487 1 1 860 . 7 1 1 A 93 93 SER N N 93 121.800 116.350 5.450 1 1 861 . 7 1 1 A 94 94 ALA H H 94 8.880 9.040 -0.160 1 1 862 . 7 1 1 A 94 94 ALA HA H 94 4.130 4.034 0.096 1 1 866 . 7 1 1 A 94 94 ALA CA C 94 55.400 55.678 -0.278 1 1 867 . 7 1 1 A 94 94 ALA CB C 94 18.000 18.100 -0.100 1 1 868 . 7 1 1 A 94 94 ALA N N 94 123.100 124.311 -1.211 1 1 869 . 7 1 1 A 95 95 THR H H 95 7.870 7.999 -0.129 1 1 870 . 7 1 1 A 95 95 THR HA H 95 3.920 3.936 -0.016 1 1 875 . 7 1 1 A 95 95 THR CA C 95 65.700 67.044 -1.344 1 1 876 . 7 1 1 A 95 95 THR CB C 95 68.400 68.300 0.100 1 1 878 . 7 1 1 A 95 95 THR N N 95 114.300 115.148 -0.848 1 1 879 . 7 1 1 A 96 96 ASP H H 96 7.420 8.063 -0.643 1 1 880 . 7 1 1 A 96 96 ASP HA H 96 4.230 4.436 -0.206 1 1 883 . 7 1 1 A 96 96 ASP CA C 96 57.400 57.225 0.175 1 1 884 . 7 1 1 A 96 96 ASP CB C 96 40.100 40.560 -0.460 1 1 885 . 7 1 1 A 96 96 ASP N N 96 121.000 121.600 -0.600 1 1 886 . 7 1 1 A 97 97 LEU H H 97 7.490 7.720 -0.230 1 1 887 . 7 1 1 A 97 97 LEU HA H 97 4.000 4.322 -0.322 1 1 897 . 7 1 1 A 97 97 LEU CA C 97 57.600 57.924 -0.324 1 1 898 . 7 1 1 A 97 97 LEU CB C 97 41.400 41.489 -0.089 1 1 902 . 7 1 1 A 97 97 LEU N N 97 118.900 120.309 -1.409 1 1 903 . 7 1 1 A 98 98 GLU H H 98 7.690 8.353 -0.663 1 1 904 . 7 1 1 A 98 98 GLU HA H 98 3.900 4.058 -0.158 1 1 909 . 7 1 1 A 98 98 GLU CA C 98 58.700 59.698 -0.998 1 1 910 . 7 1 1 A 98 98 GLU CB C 98 29.600 29.198 0.402 1 1 912 . 7 1 1 A 98 98 GLU N N 98 119.100 118.887 0.213 1 1 913 . 7 1 1 A 99 99 GLU H H 99 7.500 7.771 -0.271 1 1 914 . 7 1 1 A 99 99 GLU HA H 99 4.200 4.364 -0.164 1 1 919 . 7 1 1 A 99 99 GLU CA C 99 56.100 56.910 -0.810 1 1 920 . 7 1 1 A 99 99 GLU CB C 99 30.000 29.926 0.074 1 1 922 . 7 1 1 A 99 99 GLU N N 99 114.300 117.327 -3.027 1 1 923 . 7 1 1 A 100 100 ALA H H 100 7.400 7.373 0.027 1 1 924 . 7 1 1 A 100 100 ALA HA H 100 4.620 4.115 0.505 1 1 928 . 7 1 1 A 100 100 ALA CA C 100 52.000 51.124 0.876 1 1 929 . 7 1 1 A 100 100 ALA CB C 100 18.100 17.417 0.683 1 1 930 . 7 1 1 A 100 100 ALA N N 100 125.900 124.073 1.827 1 1 931 . 7 1 1 A 101 101 THR H H 101 7.790 8.307 -0.517 1 1 932 . 7 1 1 A 101 101 THR HA H 101 4.050 4.636 -0.586 1 1 937 . 7 1 1 A 101 101 THR CA C 101 61.200 62.207 -1.007 1 1 938 . 7 1 1 A 101 101 THR CB C 101 68.900 69.484 -0.584 1 1 940 . 7 1 1 A 101 101 THR N N 101 111.700 117.701 -6.001 1 1 941 . 7 1 1 A 102 102 PHE H H 102 7.320 7.420 -0.100 1 1 942 . 7 1 1 A 102 102 PHE HA H 102 4.750 5.046 -0.296 1 1 950 . 7 1 1 A 102 102 PHE CA C 102 54.300 54.666 -0.366 1 1 951 . 7 1 1 A 102 102 PHE CB C 102 38.200 39.455 -1.255 1 1 955 . 7 1 1 A 102 102 PHE N N 102 120.200 118.310 1.890 1 1 956 . 7 1 1 A 103 103 PRO HA H 103 4.480 4.445 0.035 1 1 963 . 7 1 1 A 103 103 PRO CA C 103 64.100 63.453 0.647 1 1 964 . 7 1 1 A 103 103 PRO CB C 103 32.000 32.208 -0.208 1 1 967 . 7 1 1 A 104 104 GLY H H 104 8.920 8.917 0.003 1 1 968 . 7 1 1 A 104 104 GLY HA2 H 104 4.270 3.743 0.527 1 1 969 . 7 1 1 A 104 104 GLY HA3 H 104 4.160 3.854 0.306 1 1 970 . 7 1 1 A 104 104 GLY CA C 104 45.600 45.019 0.581 1 1 971 . 7 1 1 A 104 104 GLY N N 104 109.600 111.218 -1.618 1 1 972 . 7 1 1 A 105 105 PHE H H 105 7.250 7.949 -0.699 1 1 973 . 7 1 1 A 105 105 PHE HA H 105 4.930 4.601 0.329 1 1 981 . 7 1 1 A 105 105 PHE CA C 105 54.900 57.672 -2.772 1 1 982 . 7 1 1 A 105 105 PHE CB C 105 39.400 40.859 -1.459 1 1 986 . 7 1 1 A 105 105 PHE N N 105 120.100 119.855 0.245 1 1 987 . 7 1 1 A 106 106 THR H H 106 8.110 8.320 -0.210 1 1 988 . 7 1 1 A 106 106 THR HA H 106 4.840 4.740 0.100 1 1 993 . 7 1 1 A 106 106 THR CA C 106 64.400 62.416 1.984 1 1 994 . 7 1 1 A 106 106 THR CB C 106 70.500 69.951 0.549 1 1 996 . 7 1 1 A 106 106 THR N N 106 118.600 117.207 1.393 1 1 997 . 7 1 1 A 107 107 TYR H H 107 9.660 9.199 0.461 1 1 998 . 7 1 1 A 107 107 TYR HA H 107 5.150 5.568 -0.418 1 1 1005 . 7 1 1 A 107 107 TYR CA C 107 56.900 57.233 -0.333 1 1 1006 . 7 1 1 A 107 107 TYR CB C 107 38.900 39.631 -0.731 1 1 1009 . 7 1 1 A 107 107 TYR N N 107 126.600 126.837 -0.237 1 1 1010 . 7 1 1 A 108 108 VAL H H 108 9.270 9.550 -0.280 1 1 1011 . 7 1 1 A 108 108 VAL HA H 108 5.220 4.731 0.489 1 1 1019 . 7 1 1 A 108 108 VAL CA C 108 60.800 62.282 -1.482 1 1 1020 . 7 1 1 A 108 108 VAL CB C 108 33.500 32.548 0.952 1 1 1023 . 7 1 1 A 108 108 VAL N N 108 124.400 124.492 -0.092 1 1 1024 . 7 1 1 A 109 109 ILE H H 109 9.300 9.672 -0.372 1 1 1025 . 7 1 1 A 109 109 ILE HA H 109 5.150 5.204 -0.054 1 1 1035 . 7 1 1 A 109 109 ILE CA C 109 58.000 59.209 -1.209 1 1 1036 . 7 1 1 A 109 109 ILE CB C 109 39.600 39.745 -0.145 1 1 1040 . 7 1 1 A 109 109 ILE N N 109 128.500 128.901 -0.401 1 1 1041 . 7 1 1 A 110 110 VAL H H 110 7.910 8.782 -0.872 1 1 1042 . 7 1 1 A 110 110 VAL HA H 110 5.650 5.079 0.571 1 1 1050 . 7 1 1 A 110 110 VAL CA C 110 56.800 59.684 -2.884 1 1 1051 . 7 1 1 A 110 110 VAL CB C 110 35.400 34.162 1.238 1 1 1054 . 7 1 1 A 110 110 VAL N N 110 122.600 129.165 -6.565 1 1 1055 . 7 1 1 A 111 111 SER H H 111 9.390 9.410 -0.020 1 1 1056 . 7 1 1 A 111 111 SER HA H 111 4.850 4.985 -0.135 1 1 1059 . 7 1 1 A 111 111 SER CA C 111 57.700 58.105 -0.405 1 1 1060 . 7 1 1 A 111 111 SER CB C 111 64.500 63.821 0.679 1 1 1061 . 7 1 1 A 111 111 SER N N 111 124.700 125.219 -0.519 1 1 1062 . 7 1 1 A 112 112 VAL H H 112 7.850 9.100 -1.250 1 1 1063 . 7 1 1 A 112 112 VAL HA H 112 4.530 4.719 -0.189 1 1 1071 . 7 1 1 A 112 112 VAL CA C 112 61.000 61.134 -0.134 1 1 1072 . 7 1 1 A 112 112 VAL CB C 112 33.800 33.546 0.254 1 1 1075 . 7 1 1 A 112 112 VAL N N 112 126.100 127.072 -0.972 1 1 1076 . 7 1 1 A 113 113 ARG H H 113 8.620 9.213 -0.593 1 1 1077 . 7 1 1 A 113 113 ARG HA H 113 5.020 5.334 -0.314 1 1 1084 . 7 1 1 A 113 113 ARG CA C 113 54.100 54.599 -0.499 1 1 1085 . 7 1 1 A 113 113 ARG CB C 113 31.500 29.816 1.684 1 1 1088 . 7 1 1 A 113 113 ARG N N 113 128.800 126.250 2.550 1 1 1089 . 7 1 1 A 114 114 ASP H H 114 9.650 9.084 0.566 1 1 1090 . 7 1 1 A 114 114 ASP HA H 114 4.370 4.340 0.030 1 1 1093 . 7 1 1 A 114 114 ASP CA C 114 55.100 55.031 0.069 1 1 1094 . 7 1 1 A 114 114 ASP CB C 114 39.800 39.862 -0.062 1 1 1095 . 7 1 1 A 114 114 ASP N N 114 128.100 124.207 3.893 1 1 1096 . 7 1 1 A 115 115 GLY H H 115 8.350 7.874 0.476 1 1 1097 . 7 1 1 A 115 115 GLY HA2 H 115 3.980 3.828 0.152 1 1 1098 . 7 1 1 A 115 115 GLY HA3 H 115 2.460 3.990 -1.530 1 1 1099 . 7 1 1 A 115 115 GLY CA C 115 45.500 44.858 0.642 1 1 1100 . 7 1 1 A 115 115 GLY N N 115 109.900 104.673 5.227 1 1 1101 . 7 1 1 A 116 116 ALA H H 116 7.610 7.599 0.011 1 1 1102 . 7 1 1 A 116 116 ALA HA H 116 4.920 4.458 0.462 1 1 1106 . 7 1 1 A 116 116 ALA CA C 116 48.200 48.976 -0.776 1 1 1107 . 7 1 1 A 116 116 ALA CB C 116 19.600 20.147 -0.547 1 1 1108 . 7 1 1 A 116 116 ALA N N 116 123.900 123.745 0.155 1 1 1109 . 7 1 1 A 117 117 PRO HA H 117 4.670 4.780 -0.110 1 1 1116 . 7 1 1 A 117 117 PRO CA C 117 62.900 62.715 0.185 1 1 1117 . 7 1 1 A 117 117 PRO CB C 117 31.500 32.099 -0.599 1 1 1120 . 7 1 1 A 118 118 GLU H H 118 8.900 9.555 -0.655 1 1 1121 . 7 1 1 A 118 118 GLU HA H 118 4.540 4.486 0.054 1 1 1126 . 7 1 1 A 118 118 GLU CA C 118 56.200 58.031 -1.831 1 1 1127 . 7 1 1 A 118 118 GLU CB C 118 30.500 30.993 -0.493 1 1 1129 . 7 1 1 A 118 118 GLU N N 118 127.400 122.815 4.585 1 1 1130 . 7 1 1 A 119 119 ALA H H 119 8.060 7.868 0.192 1 1 1131 . 7 1 1 A 119 119 ALA HA H 119 4.460 4.897 -0.437 1 1 1135 . 7 1 1 A 119 119 ALA CA C 119 52.600 50.393 2.207 1 1 1136 . 7 1 1 A 119 119 ALA CB C 119 21.000 22.684 -1.684 1 1 1137 . 7 1 1 A 119 119 ALA N N 119 123.500 120.690 2.810 1 1 1138 . 7 1 1 A 120 120 LEU H H 120 8.170 8.799 -0.629 1 1 1139 . 7 1 1 A 120 120 LEU HA H 120 5.400 5.378 0.022 1 1 1149 . 7 1 1 A 120 120 LEU CA C 120 55.000 53.753 1.247 1 1 1150 . 7 1 1 A 120 120 LEU CB C 120 45.300 45.092 0.208 1 1 1154 . 7 1 1 A 120 120 LEU N N 120 123.500 121.260 2.240 1 1 1155 . 7 1 1 A 121 121 THR H H 121 9.450 9.046 0.404 1 1 1156 . 7 1 1 A 121 121 THR HA H 121 4.520 4.699 -0.179 1 1 1161 . 7 1 1 A 121 121 THR CA C 121 58.700 60.968 -2.268 1 1 1162 . 7 1 1 A 121 121 THR CB C 121 72.100 72.563 -0.463 1 1 1164 . 7 1 1 A 121 121 THR N N 121 117.400 117.902 -0.502 1 1 1165 . 7 1 1 A 122 122 ALA H H 122 8.620 8.697 -0.077 1 1 1166 . 7 1 1 A 122 122 ALA HA H 122 5.370 5.579 -0.209 1 1 1170 . 7 1 1 A 122 122 ALA CA C 122 50.400 49.899 0.501 1 1 1171 . 7 1 1 A 122 122 ALA CB C 122 21.900 22.873 -0.973 1 1 1172 . 7 1 1 A 122 122 ALA N N 122 123.400 124.938 -1.538 1 1 1173 . 7 1 1 A 123 123 TRP H H 123 8.740 9.719 -0.979 1 1 1174 . 7 1 1 A 123 123 TRP HA H 123 5.090 5.659 -0.569 1 1 1183 . 7 1 1 A 123 123 TRP CA C 123 56.700 56.587 0.113 1 1 1184 . 7 1 1 A 123 123 TRP CB C 123 33.300 33.585 -0.285 1 1 1190 . 7 1 1 A 123 123 TRP N N 123 118.700 121.497 -2.797 1 1 1192 . 7 1 1 A 124 124 ALA H H 124 9.570 9.359 0.211 1 1 1193 . 7 1 1 A 124 124 ALA HA H 124 5.360 5.381 -0.021 1 1 1197 . 7 1 1 A 124 124 ALA CA C 124 50.300 50.409 -0.109 1 1 1198 . 7 1 1 A 124 124 ALA CB C 124 22.600 20.602 1.998 1 1 1199 . 7 1 1 A 124 124 ALA N N 124 123.200 126.048 -2.848 1 1 1200 . 7 1 1 A 125 125 LEU H H 125 9.830 8.953 0.877 1 1 1201 . 7 1 1 A 125 125 LEU HA H 125 4.190 4.458 -0.268 1 1 1211 . 7 1 1 A 125 125 LEU CA C 125 54.700 54.854 -0.154 1 1 1212 . 7 1 1 A 125 125 LEU CB C 125 44.000 43.316 0.684 1 1 1216 . 7 1 1 A 125 125 LEU N N 125 125.000 126.004 -1.004 1 1 1217 . 7 1 1 A 126 126 ALA H H 126 8.310 9.090 -0.780 1 1 1218 . 7 1 1 A 126 126 ALA HA H 126 4.460 4.415 0.045 1 1 1222 . 7 1 1 A 126 126 ALA CA C 126 51.100 50.760 0.340 1 1 1223 . 7 1 1 A 126 126 ALA CB C 126 18.300 18.023 0.277 1 1 1224 . 7 1 1 A 126 126 ALA N N 126 127.000 129.264 -2.264 1 1 1225 . 7 1 1 A 127 127 PRO HA H 127 4.340 4.252 0.088 1 1 1232 . 7 1 1 A 127 127 PRO CA C 127 65.400 65.746 -0.346 1 1 1233 . 7 1 1 A 127 127 PRO CB C 127 31.800 31.560 0.240 1 1 1236 . 7 1 1 A 128 128 ASP H H 128 7.680 8.094 -0.414 1 1 1237 . 7 1 1 A 128 128 ASP HA H 128 4.550 4.837 -0.287 1 1 1240 . 7 1 1 A 128 128 ASP CA C 128 52.900 52.241 0.659 1 1 1241 . 7 1 1 A 128 128 ASP CB C 128 39.600 40.907 -1.307 1 1 1242 . 7 1 1 A 128 128 ASP N N 128 113.100 115.482 -2.382 1 1 1243 . 7 1 1 A 129 129 ARG H H 129 8.500 7.844 0.656 1 1 1244 . 7 1 1 A 129 129 ARG HA H 129 3.500 3.876 -0.376 1 1 1251 . 7 1 1 A 129 129 ARG CA C 129 57.600 56.954 0.646 1 1 1252 . 7 1 1 A 129 129 ARG CB C 129 26.900 26.724 0.176 1 1 1255 . 7 1 1 A 129 129 ARG N N 129 113.100 123.687 -10.587 1 1 1256 . 7 1 1 A 130 130 SER H H 130 8.050 8.084 -0.034 1 1 1257 . 7 1 1 A 130 130 SER HA H 130 4.020 4.381 -0.361 1 1 1260 . 7 1 1 A 130 130 SER CA C 130 60.100 60.836 -0.736 1 1 1261 . 7 1 1 A 130 130 SER CB C 130 63.600 64.046 -0.446 1 1 1262 . 7 1 1 A 130 130 SER N N 130 111.100 113.356 -2.256 1 1 1263 . 7 1 1 A 131 131 GLU H H 131 7.060 7.603 -0.543 1 1 1264 . 7 1 1 A 131 131 GLU HA H 131 4.420 4.456 -0.036 1 1 1269 . 7 1 1 A 131 131 GLU CA C 131 54.400 55.147 -0.747 1 1 1270 . 7 1 1 A 131 131 GLU CB C 131 31.800 31.272 0.528 1 1 1272 . 7 1 1 A 131 131 GLU N N 131 114.400 114.631 -0.231 1 1 1273 . 7 1 1 A 132 132 PHE H H 132 8.740 8.623 0.117 1 1 1274 . 7 1 1 A 132 132 PHE HA H 132 5.390 5.555 -0.165 1 1 1282 . 7 1 1 A 132 132 PHE CA C 132 57.200 56.286 0.914 1 1 1283 . 7 1 1 A 132 132 PHE CB C 132 42.900 41.676 1.224 1 1 1287 . 7 1 1 A 132 132 PHE N N 132 117.300 117.497 -0.197 1 1 1288 . 7 1 1 A 133 133 HIS H H 133 9.870 9.611 0.259 1 1 1289 . 7 1 1 A 133 133 HIS HA H 133 5.380 5.322 0.058 1 1 1294 . 7 1 1 A 133 133 HIS CA C 133 53.300 54.637 -1.337 1 1 1295 . 7 1 1 A 133 133 HIS CB C 133 32.700 33.017 -0.317 1 1 1298 . 7 1 1 A 133 133 HIS N N 133 117.900 119.537 -1.637 1 1 1299 . 7 1 1 A 134 134 ARG H H 134 9.080 8.687 0.393 1 1 1300 . 7 1 1 A 134 134 ARG HA H 134 3.500 3.840 -0.340 1 1 1307 . 7 1 1 A 134 134 ARG CA C 134 57.100 56.528 0.572 1 1 1308 . 7 1 1 A 134 134 ARG CB C 134 30.100 30.856 -0.756 1 1 1311 . 7 1 1 A 134 134 ARG N N 134 125.600 123.755 1.845 1 1 1312 . 7 1 1 A 135 135 GLU H H 135 8.410 8.447 -0.037 1 1 1313 . 7 1 1 A 135 135 GLU HA H 135 4.550 5.011 -0.461 1 1 1318 . 7 1 1 A 135 135 GLU CA C 135 54.000 54.464 -0.464 1 1 1319 . 7 1 1 A 135 135 GLU CB C 135 33.000 33.530 -0.530 1 1 1321 . 7 1 1 A 135 135 GLU N N 135 128.500 126.063 2.437 1 1 1322 . 7 1 1 A 136 136 ASP H H 136 8.480 8.654 -0.174 1 1 1323 . 7 1 1 A 136 136 ASP HA H 136 4.460 5.125 -0.665 1 1 1326 . 7 1 1 A 136 136 ASP CA C 136 54.700 53.449 1.251 1 1 1327 . 7 1 1 A 136 136 ASP CB C 136 41.500 42.752 -1.252 1 1 1328 . 7 1 1 A 136 136 ASP N N 136 124.300 124.992 -0.692 1 1 1329 . 7 1 1 A 137 137 ILE H H 137 8.340 8.398 -0.058 1 1 1330 . 7 1 1 A 137 137 ILE HA H 137 4.570 4.395 0.175 1 1 1340 . 7 1 1 A 137 137 ILE CA C 137 61.400 60.329 1.071 1 1 1341 . 7 1 1 A 137 137 ILE CB C 137 38.600 37.777 0.823 1 1 1345 . 7 1 1 A 137 137 ILE N N 137 121.100 121.731 -0.631 1 1 1346 . 7 1 1 A 138 138 VAL H H 138 8.730 8.779 -0.049 1 1 1347 . 7 1 1 A 138 138 VAL HA H 138 4.570 5.012 -0.442 1 1 1355 . 7 1 1 A 138 138 VAL CA C 138 59.800 59.256 0.544 1 1 1356 . 7 1 1 A 138 138 VAL CB C 138 34.700 34.294 0.406 1 1 1359 . 7 1 1 A 138 138 VAL N N 138 125.100 122.734 2.366 1 1 1360 . 7 1 1 A 139 139 ARG H H 139 8.390 8.615 -0.225 1 1 1361 . 7 1 1 A 139 139 ARG HA H 139 5.210 4.827 0.383 1 1 1368 . 7 1 1 A 139 139 ARG CA C 139 53.500 52.461 1.039 1 1 1369 . 7 1 1 A 139 139 ARG CB C 139 30.100 31.234 -1.134 1 1 1372 . 7 1 1 A 139 139 ARG N N 139 122.800 122.574 0.226 1 1 1373 . 7 1 1 A 140 140 PRO HA H 140 4.380 4.534 -0.154 1 1 1380 . 7 1 1 A 140 140 PRO CA C 140 62.400 62.559 -0.159 1 1 1381 . 7 1 1 A 140 140 PRO CB C 140 32.000 32.474 -0.474 1 1 1384 . 7 1 1 A 141 141 ASP H H 141 8.520 8.508 0.012 1 1 1385 . 7 1 1 A 141 141 ASP HA H 141 4.780 4.925 -0.145 1 1 1388 . 7 1 1 A 141 141 ASP CA C 141 54.500 51.873 2.627 1 1 1389 . 7 1 1 A 141 141 ASP CB C 141 40.600 41.072 -0.472 1 1 1390 . 7 1 1 A 141 141 ASP N N 141 122.200 121.811 0.389 1 1 1391 . 7 1 1 A 142 142 PRO HA H 142 4.380 4.454 -0.074 1 1 1398 . 7 1 1 A 142 142 PRO CA C 142 63.500 63.884 -0.384 1 1 1399 . 7 1 1 A 142 142 PRO CB C 142 32.000 32.199 -0.199 1 1 1402 . 7 1 1 A 143 143 GLU H H 143 8.460 8.093 0.367 1 1 1403 . 7 1 1 A 143 143 GLU HA H 143 4.260 4.515 -0.255 1 1 1408 . 7 1 1 A 143 143 GLU CA C 143 56.000 56.215 -0.215 1 1 1409 . 7 1 1 A 143 143 GLU CB C 143 30.000 30.563 -0.563 1 1 1411 . 7 1 1 A 143 143 GLU N N 143 119.500 119.984 -0.484 1 1 1412 . 7 1 1 A 144 144 ALA H H 144 8.030 7.013 1.017 1 1 1413 . 7 1 1 A 144 144 ALA HA H 144 4.590 4.438 0.152 1 1 1417 . 7 1 1 A 144 144 ALA CA C 144 50.300 50.537 -0.237 1 1 1418 . 7 1 1 A 144 144 ALA CB C 144 18.300 18.831 -0.531 1 1 1419 . 7 1 1 A 144 144 ALA N N 144 125.800 124.021 1.779 1 1 1420 . 7 1 1 A 145 145 PRO HA H 145 4.400 4.527 -0.127 1 1 1427 . 7 1 1 A 145 145 PRO CA C 145 62.900 62.821 0.079 1 1 1428 . 7 1 1 A 145 145 PRO CB C 145 32.000 32.331 -0.331 1 1 1431 . 7 1 1 A 146 146 LEU H H 146 8.330 8.247 0.083 1 1 1432 . 7 1 1 A 146 146 LEU HA H 146 4.230 4.520 -0.290 1 1 1442 . 7 1 1 A 146 146 LEU CA C 146 55.100 53.329 1.771 1 1 1443 . 7 1 1 A 146 146 LEU CB C 146 42.200 43.474 -1.274 1 1 1447 . 7 1 1 A 146 146 LEU N N 146 122.100 118.601 3.499 1 1 1448 . 7 1 1 A 147 147 GLU H H 147 8.300 8.393 -0.093 1 1 1449 . 7 1 1 A 147 147 GLU HA H 147 4.220 4.387 -0.167 1 1 1454 . 7 1 1 A 147 147 GLU CA C 147 56.200 55.227 0.973 1 1 1455 . 7 1 1 A 147 147 GLU CB C 147 30.300 30.107 0.193 1 1 13 . 8 1 1 A 2 2 LYS H H 2 9.020 9.060 -0.040 1 1 14 . 8 1 1 A 2 2 LYS HA H 2 5.640 5.413 0.227 1 1 23 . 8 1 1 A 2 2 LYS CA C 2 53.700 54.916 -1.216 1 1 24 . 8 1 1 A 2 2 LYS CB C 2 34.900 34.879 0.021 1 1 28 . 8 1 1 A 2 2 LYS N N 2 125.700 126.465 -0.765 1 1 29 . 8 1 1 A 3 3 THR H H 3 8.850 8.578 0.272 1 1 30 . 8 1 1 A 3 3 THR HA H 3 4.660 4.706 -0.046 1 1 36 . 8 1 1 A 3 3 THR CA C 3 61.600 60.755 0.845 1 1 37 . 8 1 1 A 3 3 THR CB C 3 68.200 70.468 -2.268 1 1 39 . 8 1 1 A 3 3 THR N N 3 117.000 116.238 0.762 1 1 40 . 8 1 1 A 4 4 THR H H 4 8.100 8.268 -0.168 1 1 41 . 8 1 1 A 4 4 THR HA H 4 4.790 4.917 -0.127 1 1 46 . 8 1 1 A 4 4 THR CA C 4 58.500 59.121 -0.621 1 1 47 . 8 1 1 A 4 4 THR CB C 4 68.400 69.402 -1.002 1 1 49 . 8 1 1 A 4 4 THR N N 4 110.200 115.767 -5.567 1 1 50 . 8 1 1 A 5 5 PRO HA H 5 4.110 4.191 -0.081 1 1 57 . 8 1 1 A 5 5 PRO CA C 5 65.300 65.688 -0.388 1 1 58 . 8 1 1 A 5 5 PRO CB C 5 31.800 31.554 0.246 1 1 61 . 8 1 1 A 6 6 ASP H H 6 8.530 8.805 -0.275 1 1 62 . 8 1 1 A 6 6 ASP HA H 6 4.350 4.374 -0.024 1 1 65 . 8 1 1 A 6 6 ASP CA C 6 56.300 56.375 -0.075 1 1 66 . 8 1 1 A 6 6 ASP CB C 6 39.500 39.371 0.129 1 1 67 . 8 1 1 A 6 6 ASP N N 6 114.600 115.592 -0.992 1 1 68 . 8 1 1 A 7 7 ILE H H 7 7.270 7.519 -0.249 1 1 69 . 8 1 1 A 7 7 ILE HA H 7 3.620 3.670 -0.050 1 1 79 . 8 1 1 A 7 7 ILE CA C 7 61.900 64.910 -3.010 1 1 80 . 8 1 1 A 7 7 ILE CB C 7 34.900 38.113 -3.213 1 1 84 . 8 1 1 A 7 7 ILE N N 7 121.700 121.363 0.337 1 1 85 . 8 1 1 A 8 8 LEU H H 8 6.960 7.848 -0.888 1 1 86 . 8 1 1 A 8 8 LEU HA H 8 3.710 3.871 -0.161 1 1 96 . 8 1 1 A 8 8 LEU CA C 8 57.800 58.009 -0.209 1 1 97 . 8 1 1 A 8 8 LEU CB C 8 39.900 41.106 -1.206 1 1 101 . 8 1 1 A 8 8 LEU N N 8 117.200 119.453 -2.253 1 1 102 . 8 1 1 A 9 9 ASP H H 9 8.220 8.431 -0.211 1 1 103 . 8 1 1 A 9 9 ASP HA H 9 4.330 4.213 0.117 1 1 106 . 8 1 1 A 9 9 ASP CA C 9 57.600 57.915 -0.315 1 1 107 . 8 1 1 A 9 9 ASP CB C 9 40.100 41.733 -1.633 1 1 108 . 8 1 1 A 9 9 ASP N N 9 117.600 119.450 -1.850 1 1 109 . 8 1 1 A 10 10 GLN H H 10 7.630 7.946 -0.316 1 1 110 . 8 1 1 A 10 10 GLN HA H 10 3.850 4.052 -0.202 1 1 117 . 8 1 1 A 10 10 GLN CA C 10 59.200 58.707 0.493 1 1 118 . 8 1 1 A 10 10 GLN CB C 10 29.300 28.322 0.978 1 1 120 . 8 1 1 A 10 10 GLN N N 10 118.700 117.760 0.940 1 1 122 . 8 1 1 A 11 11 ILE H H 11 7.590 8.145 -0.555 1 1 123 . 8 1 1 A 11 11 ILE HA H 11 2.960 3.614 -0.654 1 1 133 . 8 1 1 A 11 11 ILE CA C 11 65.800 64.803 0.997 1 1 134 . 8 1 1 A 11 11 ILE CB C 11 37.500 37.469 0.031 1 1 138 . 8 1 1 A 11 11 ILE N N 11 121.700 121.011 0.689 1 1 139 . 8 1 1 A 12 12 ARG H H 12 7.720 8.013 -0.293 1 1 140 . 8 1 1 A 12 12 ARG HA H 12 3.610 4.076 -0.466 1 1 147 . 8 1 1 A 12 12 ARG CA C 12 61.300 58.785 2.515 1 1 148 . 8 1 1 A 12 12 ARG CB C 12 30.100 29.925 0.175 1 1 151 . 8 1 1 A 12 12 ARG N N 12 118.400 120.705 -2.305 1 1 152 . 8 1 1 A 13 13 VAL H H 13 8.480 7.757 0.723 1 1 153 . 8 1 1 A 13 13 VAL HA H 13 3.640 3.576 0.064 1 1 161 . 8 1 1 A 13 13 VAL CA C 13 66.400 66.384 0.016 1 1 162 . 8 1 1 A 13 13 VAL CB C 13 31.600 31.698 -0.098 1 1 165 . 8 1 1 A 13 13 VAL N N 13 118.400 120.853 -2.453 1 1 166 . 8 1 1 A 14 14 HIS H H 14 7.790 8.645 -0.855 1 1 167 . 8 1 1 A 14 14 HIS HA H 14 4.620 4.289 0.331 1 1 172 . 8 1 1 A 14 14 HIS CA C 14 57.500 59.148 -1.648 1 1 173 . 8 1 1 A 14 14 HIS CB C 14 31.100 29.617 1.483 1 1 176 . 8 1 1 A 14 14 HIS N N 14 119.600 118.947 0.653 1 1 177 . 8 1 1 A 15 15 GLY H H 15 8.290 8.216 0.074 1 1 178 . 8 1 1 A 15 15 GLY HA2 H 15 3.400 3.788 -0.388 1 1 179 . 8 1 1 A 15 15 GLY HA3 H 15 3.620 3.792 -0.172 1 1 180 . 8 1 1 A 15 15 GLY CA C 15 47.800 47.267 0.533 1 1 181 . 8 1 1 A 15 15 GLY N N 15 104.200 105.842 -1.642 1 1 182 . 8 1 1 A 16 16 ALA H H 16 8.650 7.483 1.167 1 1 183 . 8 1 1 A 16 16 ALA HA H 16 3.940 3.920 0.020 1 1 187 . 8 1 1 A 16 16 ALA CA C 16 55.500 54.469 1.031 1 1 188 . 8 1 1 A 16 16 ALA CB C 16 18.600 18.378 0.222 1 1 189 . 8 1 1 A 16 16 ALA N N 16 125.700 124.907 0.793 1 1 190 . 8 1 1 A 17 17 ASP H H 17 9.020 8.671 0.349 1 1 191 . 8 1 1 A 17 17 ASP HA H 17 4.420 4.370 0.050 1 1 194 . 8 1 1 A 17 17 ASP CA C 17 56.700 56.728 -0.028 1 1 195 . 8 1 1 A 17 17 ASP CB C 17 41.300 41.236 0.064 1 1 196 . 8 1 1 A 17 17 ASP N N 17 119.300 118.995 0.305 1 1 197 . 8 1 1 A 18 18 ALA H H 18 8.210 7.273 0.937 1 1 198 . 8 1 1 A 18 18 ALA HA H 18 4.180 4.176 0.004 1 1 202 . 8 1 1 A 18 18 ALA CA C 18 53.100 54.754 -1.654 1 1 203 . 8 1 1 A 18 18 ALA CB C 18 19.000 18.591 0.409 1 1 204 . 8 1 1 A 18 18 ALA N N 18 118.300 120.325 -2.025 1 1 205 . 8 1 1 A 19 19 TYR H H 19 7.080 7.762 -0.682 1 1 206 . 8 1 1 A 19 19 TYR HA H 19 4.190 4.743 -0.553 1 1 213 . 8 1 1 A 19 19 TYR CA C 19 58.300 57.218 1.082 1 1 214 . 8 1 1 A 19 19 TYR CB C 19 39.100 38.069 1.031 1 1 217 . 8 1 1 A 19 19 TYR N N 19 118.200 118.294 -0.094 1 1 218 . 8 1 1 A 20 20 PRO HA H 20 2.690 4.668 -1.978 1 1 225 . 8 1 1 A 20 20 PRO CA C 20 63.300 63.792 -0.492 1 1 226 . 8 1 1 A 20 20 PRO CB C 20 33.500 32.079 1.421 1 1 229 . 8 1 1 A 21 21 GLU H H 21 8.660 7.610 1.050 1 1 230 . 8 1 1 A 21 21 GLU HA H 21 4.420 4.359 0.061 1 1 235 . 8 1 1 A 21 21 GLU CA C 21 55.300 55.983 -0.683 1 1 236 . 8 1 1 A 21 21 GLU CB C 21 30.400 30.827 -0.427 1 1 238 . 8 1 1 A 21 21 GLU N N 21 124.800 119.973 4.827 1 1 239 . 8 1 1 A 22 22 GLU H H 22 8.290 8.507 -0.217 1 1 240 . 8 1 1 A 22 22 GLU HA H 22 3.990 4.524 -0.534 1 1 245 . 8 1 1 A 22 22 GLU CA C 22 56.400 55.545 0.855 1 1 246 . 8 1 1 A 22 22 GLU CB C 22 30.900 30.927 -0.027 1 1 248 . 8 1 1 A 22 22 GLU N N 22 119.700 121.908 -2.208 1 1 249 . 8 1 1 A 23 23 GLY H H 23 8.770 8.760 0.010 1 1 250 . 8 1 1 A 23 23 GLY HA2 H 23 2.430 4.100 -1.670 1 1 251 . 8 1 1 A 23 23 GLY HA3 H 23 4.270 4.180 0.090 1 1 252 . 8 1 1 A 23 23 GLY CA C 23 42.900 46.048 -3.148 1 1 253 . 8 1 1 A 23 23 GLY N N 23 112.400 112.905 -0.505 1 1 254 . 8 1 1 A 24 24 CYS H H 24 8.580 7.944 0.636 1 1 255 . 8 1 1 A 24 24 CYS HA H 24 4.630 4.468 0.162 1 1 258 . 8 1 1 A 24 24 CYS CA C 24 54.900 58.592 -3.692 1 1 259 . 8 1 1 A 24 24 CYS CB C 24 31.300 29.523 1.777 1 1 260 . 8 1 1 A 24 24 CYS N N 24 118.100 117.712 0.388 1 1 261 . 8 1 1 A 25 25 GLY H H 25 6.730 7.249 -0.519 1 1 262 . 8 1 1 A 25 25 GLY HA2 H 25 3.650 3.780 -0.130 1 1 263 . 8 1 1 A 25 25 GLY HA3 H 25 4.030 4.044 -0.014 1 1 264 . 8 1 1 A 25 25 GLY CA C 25 45.900 45.719 0.181 1 1 265 . 8 1 1 A 25 25 GLY N N 25 104.600 106.733 -2.133 1 1 266 . 8 1 1 A 26 26 PHE H H 26 9.350 7.998 1.352 1 1 267 . 8 1 1 A 26 26 PHE HA H 26 5.130 5.236 -0.106 1 1 275 . 8 1 1 A 26 26 PHE CA C 26 56.900 56.750 0.150 1 1 276 . 8 1 1 A 26 26 PHE CB C 26 43.300 43.314 -0.014 1 1 280 . 8 1 1 A 26 26 PHE N N 26 114.900 119.136 -4.236 1 1 281 . 8 1 1 A 27 27 LEU H H 27 8.320 9.507 -1.187 1 1 282 . 8 1 1 A 27 27 LEU HA H 27 4.590 5.247 -0.657 1 1 292 . 8 1 1 A 27 27 LEU CA C 27 52.900 53.902 -1.002 1 1 293 . 8 1 1 A 27 27 LEU CB C 27 41.200 43.669 -2.469 1 1 297 . 8 1 1 A 27 27 LEU N N 27 119.100 122.916 -3.816 1 1 298 . 8 1 1 A 28 28 LEU H H 28 9.050 9.059 -0.009 1 1 299 . 8 1 1 A 28 28 LEU HA H 28 5.390 5.398 -0.008 1 1 309 . 8 1 1 A 28 28 LEU CA C 28 51.900 53.078 -1.178 1 1 310 . 8 1 1 A 28 28 LEU CB C 28 42.900 44.450 -1.550 1 1 314 . 8 1 1 A 28 28 LEU N N 28 123.500 123.882 -0.382 1 1 315 . 8 1 1 A 29 29 GLY H H 29 9.950 8.479 1.471 1 1 316 . 8 1 1 A 29 29 GLY HA2 H 29 5.270 4.327 0.943 1 1 317 . 8 1 1 A 29 29 GLY HA3 H 29 3.900 4.327 -0.427 1 1 318 . 8 1 1 A 29 29 GLY CA C 29 46.700 46.199 0.501 1 1 319 . 8 1 1 A 29 29 GLY N N 29 112.400 109.736 2.664 1 1 320 . 8 1 1 A 30 30 THR H H 30 8.810 8.531 0.279 1 1 321 . 8 1 1 A 30 30 THR HA H 30 4.810 5.363 -0.553 1 1 326 . 8 1 1 A 30 30 THR CA C 30 59.900 59.759 0.141 1 1 327 . 8 1 1 A 30 30 THR CB C 30 72.200 72.230 -0.030 1 1 329 . 8 1 1 A 30 30 THR N N 30 116.000 116.598 -0.598 1 1 330 . 8 1 1 A 31 31 VAL H H 31 8.530 8.680 -0.150 1 1 331 . 8 1 1 A 31 31 VAL HA H 31 4.830 4.517 0.313 1 1 339 . 8 1 1 A 31 31 VAL CA C 31 61.900 61.321 0.579 1 1 340 . 8 1 1 A 31 31 VAL CB C 31 32.200 32.882 -0.682 1 1 343 . 8 1 1 A 31 31 VAL N N 31 124.200 123.052 1.148 1 1 344 . 8 1 1 A 32 32 THR H H 32 9.040 9.254 -0.214 1 1 345 . 8 1 1 A 32 32 THR HA H 32 4.580 4.747 -0.167 1 1 350 . 8 1 1 A 32 32 THR CA C 32 61.200 60.483 0.717 1 1 351 . 8 1 1 A 32 32 THR CB C 32 70.700 71.371 -0.671 1 1 353 . 8 1 1 A 32 32 THR N N 32 118.900 119.206 -0.306 1 1 354 . 8 1 1 A 33 33 ASP H H 33 8.980 8.965 0.015 1 1 355 . 8 1 1 A 33 33 ASP HA H 33 4.400 4.441 -0.041 1 1 358 . 8 1 1 A 33 33 ASP CA C 33 56.800 56.428 0.372 1 1 359 . 8 1 1 A 33 33 ASP CB C 33 40.100 40.367 -0.267 1 1 360 . 8 1 1 A 33 33 ASP N N 33 121.100 121.904 -0.804 1 1 361 . 8 1 1 A 34 34 ASP H H 34 7.960 8.016 -0.056 1 1 362 . 8 1 1 A 34 34 ASP HA H 34 4.640 4.700 -0.060 1 1 365 . 8 1 1 A 34 34 ASP CA C 34 53.500 54.448 -0.948 1 1 366 . 8 1 1 A 34 34 ASP CB C 34 40.400 41.074 -0.674 1 1 367 . 8 1 1 A 34 34 ASP N N 34 115.400 117.206 -1.806 1 1 368 . 8 1 1 A 35 35 GLY H H 35 8.080 8.433 -0.353 1 1 369 . 8 1 1 A 35 35 GLY HA2 H 35 3.590 3.902 -0.312 1 1 370 . 8 1 1 A 35 35 GLY HA3 H 35 4.200 3.909 0.291 1 1 371 . 8 1 1 A 35 35 GLY CA C 35 45.400 45.630 -0.230 1 1 372 . 8 1 1 A 35 35 GLY N N 35 108.400 109.145 -0.745 1 1 373 . 8 1 1 A 36 36 ASP H H 36 7.690 7.299 0.391 1 1 374 . 8 1 1 A 36 36 ASP HA H 36 4.790 5.053 -0.263 1 1 377 . 8 1 1 A 36 36 ASP CA C 36 51.900 52.420 -0.520 1 1 378 . 8 1 1 A 36 36 ASP CB C 36 42.300 44.198 -1.898 1 1 379 . 8 1 1 A 36 36 ASP N N 36 120.100 120.189 -0.089 1 1 380 . 8 1 1 A 37 37 ASN H H 37 8.920 8.738 0.182 1 1 381 . 8 1 1 A 37 37 ASN HA H 37 5.180 5.515 -0.335 1 1 386 . 8 1 1 A 37 37 ASN CA C 37 52.900 51.773 1.127 1 1 387 . 8 1 1 A 37 37 ASN CB C 37 38.800 40.595 -1.795 1 1 388 . 8 1 1 A 37 37 ASN N N 37 119.000 119.690 -0.690 1 1 390 . 8 1 1 A 38 38 ARG H H 38 9.480 9.106 0.374 1 1 391 . 8 1 1 A 38 38 ARG HA H 38 5.310 5.179 0.131 1 1 398 . 8 1 1 A 38 38 ARG CA C 38 53.500 54.667 -1.167 1 1 399 . 8 1 1 A 38 38 ARG CB C 38 31.000 32.347 -1.347 1 1 402 . 8 1 1 A 38 38 ARG N N 38 126.900 122.492 4.408 1 1 403 . 8 1 1 A 39 39 VAL H H 39 8.810 8.697 0.113 1 1 404 . 8 1 1 A 39 39 VAL HA H 39 4.150 4.078 0.072 1 1 412 . 8 1 1 A 39 39 VAL CA C 39 62.800 63.104 -0.304 1 1 413 . 8 1 1 A 39 39 VAL CB C 39 33.100 31.520 1.580 1 1 416 . 8 1 1 A 39 39 VAL N N 39 125.700 127.483 -1.783 1 1 417 . 8 1 1 A 40 40 ALA H H 40 9.680 8.661 1.019 1 1 418 . 8 1 1 A 40 40 ALA HA H 40 4.690 4.574 0.116 1 1 422 . 8 1 1 A 40 40 ALA CA C 40 51.300 52.403 -1.103 1 1 423 . 8 1 1 A 40 40 ALA CB C 40 22.700 21.126 1.574 1 1 424 . 8 1 1 A 40 40 ALA N N 40 102.300 129.641 -27.341 1 1 425 . 8 1 1 A 41 41 ALA H H 41 8.370 7.906 0.464 1 1 426 . 8 1 1 A 41 41 ALA HA H 41 4.530 4.893 -0.363 1 1 430 . 8 1 1 A 41 41 ALA CA C 41 51.700 50.979 0.721 1 1 431 . 8 1 1 A 41 41 ALA CB C 41 22.200 22.812 -0.612 1 1 432 . 8 1 1 A 41 41 ALA N N 41 120.200 118.444 1.756 1 1 433 . 8 1 1 A 42 42 LEU H H 42 8.690 8.706 -0.016 1 1 434 . 8 1 1 A 42 42 LEU HA H 42 5.320 5.265 0.055 1 1 444 . 8 1 1 A 42 42 LEU CA C 42 53.500 53.421 0.079 1 1 445 . 8 1 1 A 42 42 LEU CB C 42 46.300 45.523 0.777 1 1 449 . 8 1 1 A 42 42 LEU N N 42 118.300 120.923 -2.623 1 1 450 . 8 1 1 A 43 43 HIS H H 43 8.820 8.951 -0.131 1 1 451 . 8 1 1 A 43 43 HIS HA H 43 4.870 5.257 -0.387 1 1 456 . 8 1 1 A 43 43 HIS CA C 43 56.300 53.684 2.616 1 1 457 . 8 1 1 A 43 43 HIS CB C 43 34.200 32.551 1.649 1 1 460 . 8 1 1 A 43 43 HIS N N 43 120.700 117.174 3.526 1 1 461 . 8 1 1 A 44 44 ARG H H 44 8.580 8.506 0.074 1 1 462 . 8 1 1 A 44 44 ARG HA H 44 4.420 4.665 -0.245 1 1 469 . 8 1 1 A 44 44 ARG CA C 44 57.400 55.166 2.234 1 1 470 . 8 1 1 A 44 44 ARG CB C 44 31.100 32.001 -0.901 1 1 473 . 8 1 1 A 44 44 ARG N N 44 128.300 119.802 8.498 1 1 474 . 8 1 1 A 45 45 ALA H H 45 8.580 8.707 -0.127 1 1 475 . 8 1 1 A 45 45 ALA HA H 45 4.720 4.396 0.324 1 1 479 . 8 1 1 A 45 45 ALA CA C 45 51.500 52.974 -1.474 1 1 480 . 8 1 1 A 45 45 ALA CB C 45 20.200 19.091 1.109 1 1 481 . 8 1 1 A 45 45 ALA N N 45 125.700 125.829 -0.129 1 1 482 . 8 1 1 A 46 46 THR H H 46 8.250 9.503 -1.253 1 1 483 . 8 1 1 A 46 46 THR HA H 46 4.270 4.832 -0.562 1 1 488 . 8 1 1 A 46 46 THR CA C 46 62.000 60.925 1.075 1 1 489 . 8 1 1 A 46 46 THR CB C 46 69.900 70.501 -0.601 1 1 491 . 8 1 1 A 46 46 THR N N 46 115.500 119.201 -3.701 1 1 492 . 8 1 1 A 47 47 ASN H H 47 8.590 9.124 -0.534 1 1 493 . 8 1 1 A 47 47 ASN HA H 47 4.620 4.390 0.230 1 1 498 . 8 1 1 A 47 47 ASN CA C 47 53.400 53.883 -0.483 1 1 499 . 8 1 1 A 47 47 ASN CB C 47 38.400 36.909 1.491 1 1 500 . 8 1 1 A 47 47 ASN N N 47 122.400 124.201 -1.801 1 1 502 . 8 1 1 A 50 50 SER H H 50 8.480 8.677 -0.197 1 1 503 . 8 1 1 A 50 50 SER HA H 50 4.400 4.451 -0.051 1 1 506 . 8 1 1 A 50 50 SER CA C 50 58.900 60.022 -1.122 1 1 507 . 8 1 1 A 50 50 SER CB C 50 63.600 62.968 0.632 1 1 508 . 8 1 1 A 50 50 SER N N 50 116.600 121.502 -4.902 1 1 509 . 8 1 1 A 51 51 GLU H H 51 8.510 8.220 0.290 1 1 510 . 8 1 1 A 51 51 GLU HA H 51 4.300 4.536 -0.236 1 1 515 . 8 1 1 A 51 51 GLU CA C 51 56.800 56.379 0.421 1 1 516 . 8 1 1 A 51 51 GLU CB C 51 29.900 30.515 -0.615 1 1 518 . 8 1 1 A 51 51 GLU N N 51 121.800 126.002 -4.202 1 1 519 . 8 1 1 A 52 52 GLN H H 52 8.300 8.599 -0.299 1 1 520 . 8 1 1 A 52 52 GLN HA H 52 4.310 4.225 0.085 1 1 527 . 8 1 1 A 52 52 GLN CA C 52 55.900 56.318 -0.418 1 1 528 . 8 1 1 A 52 52 GLN CB C 52 29.000 28.054 0.946 1 1 530 . 8 1 1 A 52 52 GLN N N 52 119.500 124.378 -4.878 1 1 532 . 8 1 1 A 53 53 ARG H H 53 8.350 9.530 -1.180 1 1 533 . 8 1 1 A 53 53 ARG HA H 53 4.310 4.037 0.273 1 1 540 . 8 1 1 A 53 53 ARG CA C 53 56.800 58.498 -1.698 1 1 541 . 8 1 1 A 53 53 ARG CB C 53 30.700 29.098 1.602 1 1 544 . 8 1 1 A 53 53 ARG N N 53 121.000 120.687 0.313 1 1 545 . 8 1 1 A 54 54 THR H H 54 8.140 8.286 -0.146 1 1 546 . 8 1 1 A 54 54 THR HA H 54 4.340 3.988 0.352 1 1 551 . 8 1 1 A 54 54 THR CA C 54 61.900 63.101 -1.201 1 1 552 . 8 1 1 A 54 54 THR CB C 54 69.600 67.678 1.922 1 1 554 . 8 1 1 A 54 54 THR N N 54 113.100 113.723 -0.623 1 1 555 . 8 1 1 A 64 64 TYR H H 64 8.220 8.182 0.038 1 1 556 . 8 1 1 A 64 64 TYR HA H 64 3.360 3.656 -0.296 1 1 563 . 8 1 1 A 64 64 TYR CA C 64 61.600 61.548 0.052 1 1 564 . 8 1 1 A 64 64 TYR CB C 64 37.700 38.660 -0.960 1 1 567 . 8 1 1 A 64 64 TYR N N 64 120.700 120.334 0.366 1 1 568 . 8 1 1 A 65 65 ARG H H 65 8.340 7.778 0.562 1 1 569 . 8 1 1 A 65 65 ARG HA H 65 3.930 3.868 0.062 1 1 576 . 8 1 1 A 65 65 ARG CA C 65 59.600 59.383 0.217 1 1 577 . 8 1 1 A 65 65 ARG CB C 65 30.100 30.092 0.008 1 1 580 . 8 1 1 A 65 65 ARG N N 65 119.200 118.899 0.301 1 1 581 . 8 1 1 A 66 66 ALA H H 66 7.790 7.518 0.272 1 1 582 . 8 1 1 A 66 66 ALA HA H 66 4.090 4.068 0.022 1 1 586 . 8 1 1 A 66 66 ALA CA C 66 54.700 54.772 -0.072 1 1 587 . 8 1 1 A 66 66 ALA CB C 66 18.100 18.030 0.070 1 1 588 . 8 1 1 A 66 66 ALA N N 66 121.900 122.079 -0.179 1 1 589 . 8 1 1 A 67 67 ALA H H 67 7.550 8.403 -0.853 1 1 590 . 8 1 1 A 67 67 ALA HA H 67 2.940 3.653 -0.713 1 1 594 . 8 1 1 A 67 67 ALA CA C 67 54.300 54.917 -0.617 1 1 595 . 8 1 1 A 67 67 ALA CB C 67 18.000 17.629 0.371 1 1 596 . 8 1 1 A 67 67 ALA N N 67 123.000 120.179 2.821 1 1 597 . 8 1 1 A 68 68 ASP H H 68 8.320 8.364 -0.044 1 1 598 . 8 1 1 A 68 68 ASP HA H 68 4.100 4.116 -0.016 1 1 601 . 8 1 1 A 68 68 ASP CA C 68 56.800 57.071 -0.271 1 1 602 . 8 1 1 A 68 68 ASP CB C 68 41.400 41.642 -0.242 1 1 603 . 8 1 1 A 68 68 ASP N N 68 118.100 117.963 0.137 1 1 604 . 8 1 1 A 69 69 ALA H H 69 7.790 7.736 0.054 1 1 605 . 8 1 1 A 69 69 ALA HA H 69 4.010 4.046 -0.036 1 1 609 . 8 1 1 A 69 69 ALA CA C 69 55.000 54.855 0.145 1 1 610 . 8 1 1 A 69 69 ALA CB C 69 17.600 18.344 -0.744 1 1 611 . 8 1 1 A 69 69 ALA N N 69 121.200 120.824 0.376 1 1 612 . 8 1 1 A 70 70 ALA H H 70 7.490 8.058 -0.568 1 1 613 . 8 1 1 A 70 70 ALA HA H 70 4.070 3.981 0.089 1 1 617 . 8 1 1 A 70 70 ALA CA C 70 54.500 54.867 -0.367 1 1 618 . 8 1 1 A 70 70 ALA CB C 70 17.900 18.210 -0.310 1 1 619 . 8 1 1 A 70 70 ALA N N 70 121.200 120.026 1.174 1 1 620 . 8 1 1 A 71 71 ALA H H 71 8.620 8.305 0.315 1 1 621 . 8 1 1 A 71 71 ALA HA H 71 3.660 3.962 -0.302 1 1 625 . 8 1 1 A 71 71 ALA CA C 71 55.300 55.359 -0.059 1 1 626 . 8 1 1 A 71 71 ALA CB C 71 17.800 18.126 -0.326 1 1 627 . 8 1 1 A 71 71 ALA N N 71 121.600 120.499 1.101 1 1 628 . 8 1 1 A 72 72 GLN H H 72 8.700 8.061 0.639 1 1 629 . 8 1 1 A 72 72 GLN HA H 72 4.080 3.996 0.084 1 1 636 . 8 1 1 A 72 72 GLN CA C 72 59.000 58.821 0.179 1 1 637 . 8 1 1 A 72 72 GLN CB C 72 28.000 28.609 -0.609 1 1 639 . 8 1 1 A 72 72 GLN N N 72 118.600 117.093 1.507 1 1 641 . 8 1 1 A 73 73 GLU H H 73 7.640 8.452 -0.812 1 1 642 . 8 1 1 A 73 73 GLU HA H 73 4.080 4.032 0.048 1 1 647 . 8 1 1 A 73 73 GLU CA C 73 58.800 59.144 -0.344 1 1 648 . 8 1 1 A 73 73 GLU CB C 73 29.600 29.410 0.190 1 1 650 . 8 1 1 A 73 73 GLU N N 73 119.000 120.151 -1.151 1 1 651 . 8 1 1 A 74 74 GLN H H 74 7.400 7.780 -0.380 1 1 652 . 8 1 1 A 74 74 GLN HA H 74 4.470 4.343 0.127 1 1 659 . 8 1 1 A 74 74 GLN CA C 74 55.000 55.376 -0.376 1 1 660 . 8 1 1 A 74 74 GLN CB C 74 30.900 29.211 1.689 1 1 662 . 8 1 1 A 74 74 GLN N N 74 114.600 116.535 -1.935 1 1 664 . 8 1 1 A 75 75 GLY H H 75 7.830 8.299 -0.469 1 1 665 . 8 1 1 A 75 75 GLY HA2 H 75 3.950 3.912 0.038 1 1 666 . 8 1 1 A 75 75 GLY HA3 H 75 3.870 3.913 -0.043 1 1 667 . 8 1 1 A 75 75 GLY CA C 75 46.500 46.242 0.258 1 1 668 . 8 1 1 A 75 75 GLY N N 75 109.300 108.973 0.327 1 1 669 . 8 1 1 A 76 76 LEU H H 76 8.110 8.237 -0.127 1 1 670 . 8 1 1 A 76 76 LEU HA H 76 4.650 4.960 -0.310 1 1 680 . 8 1 1 A 76 76 LEU CA C 76 52.500 53.073 -0.573 1 1 681 . 8 1 1 A 76 76 LEU CB C 76 45.700 45.563 0.137 1 1 685 . 8 1 1 A 76 76 LEU N N 76 119.300 120.448 -1.148 1 1 686 . 8 1 1 A 77 77 ASP H H 77 8.990 9.676 -0.686 1 1 687 . 8 1 1 A 77 77 ASP HA H 77 5.120 5.130 -0.010 1 1 690 . 8 1 1 A 77 77 ASP CA C 77 52.600 52.553 0.047 1 1 691 . 8 1 1 A 77 77 ASP CB C 77 44.600 44.355 0.245 1 1 692 . 8 1 1 A 77 77 ASP N N 77 117.600 118.415 -0.815 1 1 693 . 8 1 1 A 78 78 VAL H H 78 9.070 8.939 0.131 1 1 694 . 8 1 1 A 78 78 VAL HA H 78 4.090 4.246 -0.156 1 1 702 . 8 1 1 A 78 78 VAL CA C 78 63.900 63.192 0.708 1 1 703 . 8 1 1 A 78 78 VAL CB C 78 30.900 31.242 -0.342 1 1 706 . 8 1 1 A 78 78 VAL N N 78 121.900 121.231 0.669 1 1 707 . 8 1 1 A 79 79 VAL H H 79 8.360 8.576 -0.216 1 1 708 . 8 1 1 A 79 79 VAL HA H 79 4.300 4.286 0.014 1 1 716 . 8 1 1 A 79 79 VAL CA C 79 59.500 61.915 -2.415 1 1 717 . 8 1 1 A 79 79 VAL CB C 79 32.600 32.678 -0.078 1 1 720 . 8 1 1 A 79 79 VAL N N 79 116.700 121.493 -4.793 1 1 721 . 8 1 1 A 80 80 GLY H H 80 6.970 7.649 -0.679 1 1 722 . 8 1 1 A 80 80 GLY HA2 H 80 4.380 4.078 0.302 1 1 723 . 8 1 1 A 80 80 GLY HA3 H 80 3.550 4.167 -0.617 1 1 724 . 8 1 1 A 80 80 GLY CA C 80 46.900 46.145 0.755 1 1 725 . 8 1 1 A 80 80 GLY N N 80 106.200 108.919 -2.719 1 1 726 . 8 1 1 A 81 81 VAL H H 81 8.510 8.353 0.157 1 1 727 . 8 1 1 A 81 81 VAL HA H 81 4.900 4.819 0.081 1 1 735 . 8 1 1 A 81 81 VAL CA C 81 59.400 60.124 -0.724 1 1 736 . 8 1 1 A 81 81 VAL CB C 81 37.600 35.418 2.182 1 1 739 . 8 1 1 A 81 81 VAL N N 81 116.200 119.004 -2.804 1 1 740 . 8 1 1 A 82 82 TYR H H 82 8.370 8.685 -0.315 1 1 741 . 8 1 1 A 82 82 TYR HA H 82 6.000 5.887 0.113 1 1 748 . 8 1 1 A 82 82 TYR CA C 82 54.900 55.587 -0.687 1 1 749 . 8 1 1 A 82 82 TYR CB C 82 42.800 42.377 0.423 1 1 752 . 8 1 1 A 82 82 TYR N N 82 118.100 120.861 -2.761 1 1 753 . 8 1 1 A 83 83 HIS H H 83 8.520 8.708 -0.188 1 1 754 . 8 1 1 A 83 83 HIS HA H 83 5.150 5.460 -0.310 1 1 759 . 8 1 1 A 83 83 HIS CA C 83 54.900 53.987 0.913 1 1 760 . 8 1 1 A 83 83 HIS CB C 83 33.200 32.631 0.569 1 1 763 . 8 1 1 A 83 83 HIS N N 83 115.400 117.216 -1.816 1 1 764 . 8 1 1 A 84 84 SER H H 84 9.060 9.143 -0.083 1 1 765 . 8 1 1 A 84 84 SER HA H 84 5.590 5.747 -0.157 1 1 768 . 8 1 1 A 84 84 SER CA C 84 55.800 56.047 -0.247 1 1 769 . 8 1 1 A 84 84 SER CB C 84 65.500 66.027 -0.527 1 1 770 . 8 1 1 A 84 84 SER N N 84 117.100 114.693 2.407 1 1 771 . 8 1 1 A 85 85 HIS H H 85 8.980 8.544 0.436 1 1 772 . 8 1 1 A 85 85 HIS HA H 85 4.830 5.248 -0.418 1 1 777 . 8 1 1 A 85 85 HIS CA C 85 50.400 53.157 -2.757 1 1 778 . 8 1 1 A 85 85 HIS CB C 85 32.000 30.178 1.822 1 1 781 . 8 1 1 A 85 85 HIS N N 85 117.600 119.481 -1.881 1 1 782 . 8 1 1 A 86 86 PRO HA H 86 5.080 4.837 0.243 1 1 789 . 8 1 1 A 86 86 PRO CA C 86 62.400 64.073 -1.673 1 1 790 . 8 1 1 A 86 86 PRO CB C 86 32.400 31.956 0.444 1 1 793 . 8 1 1 A 87 87 ASP H H 87 10.300 8.464 1.836 1 1 794 . 8 1 1 A 87 87 ASP HA H 87 4.320 4.533 -0.213 1 1 797 . 8 1 1 A 87 87 ASP CA C 87 56.600 55.449 1.151 1 1 798 . 8 1 1 A 87 87 ASP CB C 87 39.600 41.552 -1.952 1 1 799 . 8 1 1 A 87 87 ASP N N 87 123.100 116.090 7.010 1 1 800 . 8 1 1 A 88 88 HIS H H 88 7.500 7.869 -0.369 1 1 801 . 8 1 1 A 88 88 HIS HA H 88 5.050 5.007 0.043 1 1 806 . 8 1 1 A 88 88 HIS CA C 88 54.700 53.633 1.067 1 1 807 . 8 1 1 A 88 88 HIS CB C 88 32.400 32.482 -0.082 1 1 810 . 8 1 1 A 88 88 HIS N N 88 115.000 116.509 -1.509 1 1 811 . 8 1 1 A 89 89 PRO HA H 89 4.370 4.657 -0.287 1 1 818 . 8 1 1 A 89 89 PRO CA C 89 62.700 63.059 -0.359 1 1 819 . 8 1 1 A 89 89 PRO CB C 89 31.600 31.245 0.355 1 1 822 . 8 1 1 A 90 90 ALA H H 90 8.020 8.407 -0.387 1 1 823 . 8 1 1 A 90 90 ALA HA H 90 4.290 3.986 0.304 1 1 827 . 8 1 1 A 90 90 ALA CA C 90 50.800 54.102 -3.302 1 1 828 . 8 1 1 A 90 90 ALA CB C 90 16.600 18.268 -1.668 1 1 829 . 8 1 1 A 90 90 ALA N N 90 125.800 122.336 3.464 1 1 830 . 8 1 1 A 91 91 ARG H H 91 7.990 8.778 -0.788 1 1 831 . 8 1 1 A 91 91 ARG HA H 91 4.300 3.849 0.451 1 1 838 . 8 1 1 A 91 91 ARG CA C 91 53.100 55.992 -2.892 1 1 839 . 8 1 1 A 91 91 ARG CB C 91 31.800 28.970 2.830 1 1 842 . 8 1 1 A 91 91 ARG N N 91 121.900 118.956 2.944 1 1 843 . 8 1 1 A 92 92 PRO HA H 92 4.070 4.447 -0.377 1 1 850 . 8 1 1 A 92 92 PRO CA C 92 62.300 61.875 0.425 1 1 851 . 8 1 1 A 92 92 PRO CB C 92 32.500 31.939 0.561 1 1 854 . 8 1 1 A 93 93 SER H H 93 9.960 8.341 1.619 1 1 855 . 8 1 1 A 93 93 SER HA H 93 4.630 4.660 -0.030 1 1 858 . 8 1 1 A 93 93 SER CA C 93 56.300 56.650 -0.350 1 1 859 . 8 1 1 A 93 93 SER CB C 93 66.500 65.030 1.470 1 1 860 . 8 1 1 A 93 93 SER N N 93 121.800 115.986 5.814 1 1 861 . 8 1 1 A 94 94 ALA H H 94 8.880 8.916 -0.036 1 1 862 . 8 1 1 A 94 94 ALA HA H 94 4.130 4.011 0.119 1 1 866 . 8 1 1 A 94 94 ALA CA C 94 55.400 55.399 0.001 1 1 867 . 8 1 1 A 94 94 ALA CB C 94 18.000 18.220 -0.220 1 1 868 . 8 1 1 A 94 94 ALA N N 94 123.100 123.879 -0.779 1 1 869 . 8 1 1 A 95 95 THR H H 95 7.870 7.885 -0.015 1 1 870 . 8 1 1 A 95 95 THR HA H 95 3.920 4.336 -0.416 1 1 875 . 8 1 1 A 95 95 THR CA C 95 65.700 66.427 -0.727 1 1 876 . 8 1 1 A 95 95 THR CB C 95 68.400 68.413 -0.013 1 1 878 . 8 1 1 A 95 95 THR N N 95 114.300 114.059 0.241 1 1 879 . 8 1 1 A 96 96 ASP H H 96 7.420 8.246 -0.826 1 1 880 . 8 1 1 A 96 96 ASP HA H 96 4.230 4.239 -0.009 1 1 883 . 8 1 1 A 96 96 ASP CA C 96 57.400 57.363 0.037 1 1 884 . 8 1 1 A 96 96 ASP CB C 96 40.100 42.210 -2.110 1 1 885 . 8 1 1 A 96 96 ASP N N 96 121.000 121.183 -0.183 1 1 886 . 8 1 1 A 97 97 LEU H H 97 7.490 7.995 -0.505 1 1 887 . 8 1 1 A 97 97 LEU HA H 97 4.000 4.379 -0.379 1 1 897 . 8 1 1 A 97 97 LEU CA C 97 57.600 57.758 -0.158 1 1 898 . 8 1 1 A 97 97 LEU CB C 97 41.400 41.858 -0.458 1 1 902 . 8 1 1 A 97 97 LEU N N 97 118.900 120.375 -1.475 1 1 903 . 8 1 1 A 98 98 GLU H H 98 7.690 8.092 -0.402 1 1 904 . 8 1 1 A 98 98 GLU HA H 98 3.900 3.937 -0.037 1 1 909 . 8 1 1 A 98 98 GLU CA C 98 58.700 59.843 -1.143 1 1 910 . 8 1 1 A 98 98 GLU CB C 98 29.600 29.295 0.305 1 1 912 . 8 1 1 A 98 98 GLU N N 98 119.100 118.973 0.127 1 1 913 . 8 1 1 A 99 99 GLU H H 99 7.500 8.341 -0.841 1 1 914 . 8 1 1 A 99 99 GLU HA H 99 4.200 4.227 -0.027 1 1 919 . 8 1 1 A 99 99 GLU CA C 99 56.100 57.548 -1.448 1 1 920 . 8 1 1 A 99 99 GLU CB C 99 30.000 28.814 1.186 1 1 922 . 8 1 1 A 99 99 GLU N N 99 114.300 116.609 -2.309 1 1 923 . 8 1 1 A 100 100 ALA H H 100 7.400 7.283 0.117 1 1 924 . 8 1 1 A 100 100 ALA HA H 100 4.620 4.459 0.161 1 1 928 . 8 1 1 A 100 100 ALA CA C 100 52.000 51.891 0.109 1 1 929 . 8 1 1 A 100 100 ALA CB C 100 18.100 18.605 -0.505 1 1 930 . 8 1 1 A 100 100 ALA N N 100 125.900 124.082 1.818 1 1 931 . 8 1 1 A 101 101 THR H H 101 7.790 8.602 -0.812 1 1 932 . 8 1 1 A 101 101 THR HA H 101 4.050 4.548 -0.498 1 1 937 . 8 1 1 A 101 101 THR CA C 101 61.200 60.720 0.480 1 1 938 . 8 1 1 A 101 101 THR CB C 101 68.900 69.040 -0.140 1 1 940 . 8 1 1 A 101 101 THR N N 101 111.700 119.654 -7.954 1 1 941 . 8 1 1 A 102 102 PHE H H 102 7.320 7.832 -0.512 1 1 942 . 8 1 1 A 102 102 PHE HA H 102 4.750 4.972 -0.222 1 1 950 . 8 1 1 A 102 102 PHE CA C 102 54.300 54.819 -0.519 1 1 951 . 8 1 1 A 102 102 PHE CB C 102 38.200 38.986 -0.786 1 1 955 . 8 1 1 A 102 102 PHE N N 102 120.200 121.329 -1.129 1 1 956 . 8 1 1 A 103 103 PRO HA H 103 4.480 4.476 0.004 1 1 963 . 8 1 1 A 103 103 PRO CA C 103 64.100 64.060 0.040 1 1 964 . 8 1 1 A 103 103 PRO CB C 103 32.000 31.407 0.593 1 1 967 . 8 1 1 A 104 104 GLY H H 104 8.920 9.036 -0.116 1 1 968 . 8 1 1 A 104 104 GLY HA2 H 104 4.270 3.946 0.324 1 1 969 . 8 1 1 A 104 104 GLY HA3 H 104 4.160 3.946 0.214 1 1 970 . 8 1 1 A 104 104 GLY CA C 104 45.600 45.216 0.384 1 1 971 . 8 1 1 A 104 104 GLY N N 104 109.600 113.017 -3.417 1 1 972 . 8 1 1 A 105 105 PHE H H 105 7.250 8.033 -0.783 1 1 973 . 8 1 1 A 105 105 PHE HA H 105 4.930 4.599 0.331 1 1 981 . 8 1 1 A 105 105 PHE CA C 105 54.900 57.958 -3.058 1 1 982 . 8 1 1 A 105 105 PHE CB C 105 39.400 40.005 -0.605 1 1 986 . 8 1 1 A 105 105 PHE N N 105 120.100 119.833 0.267 1 1 987 . 8 1 1 A 106 106 THR H H 106 8.110 8.453 -0.343 1 1 988 . 8 1 1 A 106 106 THR HA H 106 4.840 4.672 0.168 1 1 993 . 8 1 1 A 106 106 THR CA C 106 64.400 62.101 2.299 1 1 994 . 8 1 1 A 106 106 THR CB C 106 70.500 69.743 0.757 1 1 996 . 8 1 1 A 106 106 THR N N 106 118.600 118.429 0.171 1 1 997 . 8 1 1 A 107 107 TYR H H 107 9.660 9.102 0.558 1 1 998 . 8 1 1 A 107 107 TYR HA H 107 5.150 5.469 -0.319 1 1 1005 . 8 1 1 A 107 107 TYR CA C 107 56.900 57.186 -0.286 1 1 1006 . 8 1 1 A 107 107 TYR CB C 107 38.900 39.722 -0.822 1 1 1009 . 8 1 1 A 107 107 TYR N N 107 126.600 127.120 -0.520 1 1 1010 . 8 1 1 A 108 108 VAL H H 108 9.270 9.343 -0.073 1 1 1011 . 8 1 1 A 108 108 VAL HA H 108 5.220 4.623 0.597 1 1 1019 . 8 1 1 A 108 108 VAL CA C 108 60.800 62.495 -1.695 1 1 1020 . 8 1 1 A 108 108 VAL CB C 108 33.500 32.271 1.229 1 1 1023 . 8 1 1 A 108 108 VAL N N 108 124.400 124.244 0.156 1 1 1024 . 8 1 1 A 109 109 ILE H H 109 9.300 9.879 -0.579 1 1 1025 . 8 1 1 A 109 109 ILE HA H 109 5.150 5.197 -0.047 1 1 1035 . 8 1 1 A 109 109 ILE CA C 109 58.000 60.097 -2.097 1 1 1036 . 8 1 1 A 109 109 ILE CB C 109 39.600 39.489 0.111 1 1 1040 . 8 1 1 A 109 109 ILE N N 109 128.500 129.295 -0.795 1 1 1041 . 8 1 1 A 110 110 VAL H H 110 7.910 8.844 -0.934 1 1 1042 . 8 1 1 A 110 110 VAL HA H 110 5.650 4.827 0.823 1 1 1050 . 8 1 1 A 110 110 VAL CA C 110 56.800 60.212 -3.412 1 1 1051 . 8 1 1 A 110 110 VAL CB C 110 35.400 34.162 1.238 1 1 1054 . 8 1 1 A 110 110 VAL N N 110 122.600 129.726 -7.126 1 1 1055 . 8 1 1 A 111 111 SER H H 111 9.390 9.353 0.037 1 1 1056 . 8 1 1 A 111 111 SER HA H 111 4.850 4.859 -0.009 1 1 1059 . 8 1 1 A 111 111 SER CA C 111 57.700 57.197 0.503 1 1 1060 . 8 1 1 A 111 111 SER CB C 111 64.500 63.514 0.986 1 1 1061 . 8 1 1 A 111 111 SER N N 111 124.700 124.910 -0.210 1 1 1062 . 8 1 1 A 112 112 VAL H H 112 7.850 9.192 -1.342 1 1 1063 . 8 1 1 A 112 112 VAL HA H 112 4.530 4.975 -0.445 1 1 1071 . 8 1 1 A 112 112 VAL CA C 112 61.000 61.247 -0.247 1 1 1072 . 8 1 1 A 112 112 VAL CB C 112 33.800 34.119 -0.319 1 1 1075 . 8 1 1 A 112 112 VAL N N 112 126.100 128.242 -2.142 1 1 1076 . 8 1 1 A 113 113 ARG H H 113 8.620 9.222 -0.602 1 1 1077 . 8 1 1 A 113 113 ARG HA H 113 5.020 4.597 0.423 1 1 1084 . 8 1 1 A 113 113 ARG CA C 113 54.100 54.452 -0.352 1 1 1085 . 8 1 1 A 113 113 ARG CB C 113 31.500 28.598 2.902 1 1 1088 . 8 1 1 A 113 113 ARG N N 113 128.800 126.820 1.980 1 1 1089 . 8 1 1 A 114 114 ASP H H 114 9.650 8.750 0.900 1 1 1090 . 8 1 1 A 114 114 ASP HA H 114 4.370 4.377 -0.007 1 1 1093 . 8 1 1 A 114 114 ASP CA C 114 55.100 54.966 0.134 1 1 1094 . 8 1 1 A 114 114 ASP CB C 114 39.800 39.964 -0.164 1 1 1095 . 8 1 1 A 114 114 ASP N N 114 128.100 121.956 6.144 1 1 1096 . 8 1 1 A 115 115 GLY H H 115 8.350 7.504 0.846 1 1 1097 . 8 1 1 A 115 115 GLY HA2 H 115 3.980 3.193 0.787 1 1 1098 . 8 1 1 A 115 115 GLY HA3 H 115 2.460 3.703 -1.243 1 1 1099 . 8 1 1 A 115 115 GLY CA C 115 45.500 44.579 0.921 1 1 1100 . 8 1 1 A 115 115 GLY N N 115 109.900 104.910 4.990 1 1 1101 . 8 1 1 A 116 116 ALA H H 116 7.610 7.622 -0.012 1 1 1102 . 8 1 1 A 116 116 ALA HA H 116 4.920 4.451 0.469 1 1 1106 . 8 1 1 A 116 116 ALA CA C 116 48.200 49.442 -1.242 1 1 1107 . 8 1 1 A 116 116 ALA CB C 116 19.600 19.714 -0.114 1 1 1108 . 8 1 1 A 116 116 ALA N N 116 123.900 124.514 -0.614 1 1 1109 . 8 1 1 A 117 117 PRO HA H 117 4.670 4.743 -0.073 1 1 1116 . 8 1 1 A 117 117 PRO CA C 117 62.900 62.677 0.223 1 1 1117 . 8 1 1 A 117 117 PRO CB C 117 31.500 31.797 -0.297 1 1 1120 . 8 1 1 A 118 118 GLU H H 118 8.900 9.590 -0.690 1 1 1121 . 8 1 1 A 118 118 GLU HA H 118 4.540 4.343 0.197 1 1 1126 . 8 1 1 A 118 118 GLU CA C 118 56.200 58.473 -2.273 1 1 1127 . 8 1 1 A 118 118 GLU CB C 118 30.500 30.480 0.020 1 1 1129 . 8 1 1 A 118 118 GLU N N 118 127.400 123.629 3.771 1 1 1130 . 8 1 1 A 119 119 ALA H H 119 8.060 7.759 0.301 1 1 1131 . 8 1 1 A 119 119 ALA HA H 119 4.460 4.716 -0.256 1 1 1135 . 8 1 1 A 119 119 ALA CA C 119 52.600 51.453 1.147 1 1 1136 . 8 1 1 A 119 119 ALA CB C 119 21.000 23.201 -2.201 1 1 1137 . 8 1 1 A 119 119 ALA N N 119 123.500 119.174 4.326 1 1 1138 . 8 1 1 A 120 120 LEU H H 120 8.170 8.593 -0.423 1 1 1139 . 8 1 1 A 120 120 LEU HA H 120 5.400 5.276 0.124 1 1 1149 . 8 1 1 A 120 120 LEU CA C 120 55.000 53.498 1.502 1 1 1150 . 8 1 1 A 120 120 LEU CB C 120 45.300 43.700 1.600 1 1 1154 . 8 1 1 A 120 120 LEU N N 120 123.500 120.691 2.809 1 1 1155 . 8 1 1 A 121 121 THR H H 121 9.450 9.110 0.340 1 1 1156 . 8 1 1 A 121 121 THR HA H 121 4.520 4.981 -0.461 1 1 1161 . 8 1 1 A 121 121 THR CA C 121 58.700 60.338 -1.638 1 1 1162 . 8 1 1 A 121 121 THR CB C 121 72.100 71.471 0.629 1 1 1164 . 8 1 1 A 121 121 THR N N 121 117.400 115.402 1.998 1 1 1165 . 8 1 1 A 122 122 ALA H H 122 8.620 8.654 -0.034 1 1 1166 . 8 1 1 A 122 122 ALA HA H 122 5.370 5.508 -0.138 1 1 1170 . 8 1 1 A 122 122 ALA CA C 122 50.400 49.734 0.666 1 1 1171 . 8 1 1 A 122 122 ALA CB C 122 21.900 22.179 -0.279 1 1 1172 . 8 1 1 A 122 122 ALA N N 122 123.400 125.236 -1.836 1 1 1173 . 8 1 1 A 123 123 TRP H H 123 8.740 9.323 -0.583 1 1 1174 . 8 1 1 A 123 123 TRP HA H 123 5.090 5.277 -0.187 1 1 1183 . 8 1 1 A 123 123 TRP CA C 123 56.700 56.467 0.233 1 1 1184 . 8 1 1 A 123 123 TRP CB C 123 33.300 33.332 -0.032 1 1 1190 . 8 1 1 A 123 123 TRP N N 123 118.700 121.228 -2.528 1 1 1192 . 8 1 1 A 124 124 ALA H H 124 9.570 8.974 0.596 1 1 1193 . 8 1 1 A 124 124 ALA HA H 124 5.360 5.299 0.061 1 1 1197 . 8 1 1 A 124 124 ALA CA C 124 50.300 50.081 0.219 1 1 1198 . 8 1 1 A 124 124 ALA CB C 124 22.600 20.816 1.784 1 1 1199 . 8 1 1 A 124 124 ALA N N 124 123.200 125.826 -2.626 1 1 1200 . 8 1 1 A 125 125 LEU H H 125 9.830 8.858 0.972 1 1 1201 . 8 1 1 A 125 125 LEU HA H 125 4.190 4.454 -0.264 1 1 1211 . 8 1 1 A 125 125 LEU CA C 125 54.700 54.082 0.618 1 1 1212 . 8 1 1 A 125 125 LEU CB C 125 44.000 44.012 -0.012 1 1 1216 . 8 1 1 A 125 125 LEU N N 125 125.000 124.797 0.203 1 1 1217 . 8 1 1 A 126 126 ALA H H 126 8.310 8.351 -0.041 1 1 1218 . 8 1 1 A 126 126 ALA HA H 126 4.460 4.631 -0.171 1 1 1222 . 8 1 1 A 126 126 ALA CA C 126 51.100 50.781 0.319 1 1 1223 . 8 1 1 A 126 126 ALA CB C 126 18.300 18.164 0.136 1 1 1224 . 8 1 1 A 126 126 ALA N N 126 127.000 129.395 -2.395 1 1 1225 . 8 1 1 A 127 127 PRO HA H 127 4.340 4.400 -0.060 1 1 1232 . 8 1 1 A 127 127 PRO CA C 127 65.400 64.779 0.621 1 1 1233 . 8 1 1 A 127 127 PRO CB C 127 31.800 31.931 -0.131 1 1 1236 . 8 1 1 A 128 128 ASP H H 128 7.680 7.929 -0.249 1 1 1237 . 8 1 1 A 128 128 ASP HA H 128 4.550 4.691 -0.141 1 1 1240 . 8 1 1 A 128 128 ASP CA C 128 52.900 54.701 -1.801 1 1 1241 . 8 1 1 A 128 128 ASP CB C 128 39.600 41.146 -1.546 1 1 1242 . 8 1 1 A 128 128 ASP N N 128 113.100 116.616 -3.516 1 1 1243 . 8 1 1 A 129 129 ARG H H 129 8.500 8.248 0.252 1 1 1244 . 8 1 1 A 129 129 ARG HA H 129 3.500 3.935 -0.435 1 1 1251 . 8 1 1 A 129 129 ARG CA C 129 57.600 56.896 0.704 1 1 1252 . 8 1 1 A 129 129 ARG CB C 129 26.900 28.667 -1.767 1 1 1255 . 8 1 1 A 129 129 ARG N N 129 113.100 119.076 -5.976 1 1 1256 . 8 1 1 A 130 130 SER H H 130 8.050 8.039 0.011 1 1 1257 . 8 1 1 A 130 130 SER HA H 130 4.020 4.667 -0.647 1 1 1260 . 8 1 1 A 130 130 SER CA C 130 60.100 58.563 1.537 1 1 1261 . 8 1 1 A 130 130 SER CB C 130 63.600 64.413 -0.813 1 1 1262 . 8 1 1 A 130 130 SER N N 130 111.100 114.682 -3.582 1 1 1263 . 8 1 1 A 131 131 GLU H H 131 7.060 8.075 -1.015 1 1 1264 . 8 1 1 A 131 131 GLU HA H 131 4.420 4.630 -0.210 1 1 1269 . 8 1 1 A 131 131 GLU CA C 131 54.400 54.641 -0.241 1 1 1270 . 8 1 1 A 131 131 GLU CB C 131 31.800 32.393 -0.593 1 1 1272 . 8 1 1 A 131 131 GLU N N 131 114.400 118.083 -3.683 1 1 1273 . 8 1 1 A 132 132 PHE H H 132 8.740 8.641 0.099 1 1 1274 . 8 1 1 A 132 132 PHE HA H 132 5.390 5.503 -0.113 1 1 1282 . 8 1 1 A 132 132 PHE CA C 132 57.200 56.169 1.031 1 1 1283 . 8 1 1 A 132 132 PHE CB C 132 42.900 41.913 0.987 1 1 1287 . 8 1 1 A 132 132 PHE N N 132 117.300 116.638 0.662 1 1 1288 . 8 1 1 A 133 133 HIS H H 133 9.870 9.108 0.762 1 1 1289 . 8 1 1 A 133 133 HIS HA H 133 5.380 5.934 -0.554 1 1 1294 . 8 1 1 A 133 133 HIS CA C 133 53.300 53.741 -0.441 1 1 1295 . 8 1 1 A 133 133 HIS CB C 133 32.700 33.242 -0.542 1 1 1298 . 8 1 1 A 133 133 HIS N N 133 117.900 117.723 0.177 1 1 1299 . 8 1 1 A 134 134 ARG H H 134 9.080 8.714 0.366 1 1 1300 . 8 1 1 A 134 134 ARG HA H 134 3.500 3.798 -0.298 1 1 1307 . 8 1 1 A 134 134 ARG CA C 134 57.100 56.740 0.360 1 1 1308 . 8 1 1 A 134 134 ARG CB C 134 30.100 30.980 -0.880 1 1 1311 . 8 1 1 A 134 134 ARG N N 134 125.600 123.068 2.532 1 1 1312 . 8 1 1 A 135 135 GLU H H 135 8.410 8.448 -0.038 1 1 1313 . 8 1 1 A 135 135 GLU HA H 135 4.550 5.028 -0.478 1 1 1318 . 8 1 1 A 135 135 GLU CA C 135 54.000 54.403 -0.403 1 1 1319 . 8 1 1 A 135 135 GLU CB C 135 33.000 33.392 -0.392 1 1 1321 . 8 1 1 A 135 135 GLU N N 135 128.500 126.351 2.149 1 1 1322 . 8 1 1 A 136 136 ASP H H 136 8.480 8.880 -0.400 1 1 1323 . 8 1 1 A 136 136 ASP HA H 136 4.460 5.345 -0.885 1 1 1326 . 8 1 1 A 136 136 ASP CA C 136 54.700 52.931 1.769 1 1 1327 . 8 1 1 A 136 136 ASP CB C 136 41.500 43.233 -1.733 1 1 1328 . 8 1 1 A 136 136 ASP N N 136 124.300 123.243 1.057 1 1 1329 . 8 1 1 A 137 137 ILE H H 137 8.340 8.575 -0.235 1 1 1330 . 8 1 1 A 137 137 ILE HA H 137 4.570 4.501 0.069 1 1 1340 . 8 1 1 A 137 137 ILE CA C 137 61.400 60.078 1.322 1 1 1341 . 8 1 1 A 137 137 ILE CB C 137 38.600 38.018 0.582 1 1 1345 . 8 1 1 A 137 137 ILE N N 137 121.100 122.653 -1.553 1 1 1346 . 8 1 1 A 138 138 VAL H H 138 8.730 8.846 -0.116 1 1 1347 . 8 1 1 A 138 138 VAL HA H 138 4.570 4.768 -0.198 1 1 1355 . 8 1 1 A 138 138 VAL CA C 138 59.800 60.607 -0.807 1 1 1356 . 8 1 1 A 138 138 VAL CB C 138 34.700 35.354 -0.654 1 1 1359 . 8 1 1 A 138 138 VAL N N 138 125.100 128.388 -3.288 1 1 1360 . 8 1 1 A 139 139 ARG H H 139 8.390 8.385 0.005 1 1 1361 . 8 1 1 A 139 139 ARG HA H 139 5.210 4.929 0.281 1 1 1368 . 8 1 1 A 139 139 ARG CA C 139 53.500 52.783 0.717 1 1 1369 . 8 1 1 A 139 139 ARG CB C 139 30.100 30.660 -0.560 1 1 1372 . 8 1 1 A 139 139 ARG N N 139 122.800 125.555 -2.755 1 1 1373 . 8 1 1 A 140 140 PRO HA H 140 4.380 4.648 -0.268 1 1 1380 . 8 1 1 A 140 140 PRO CA C 140 62.400 62.743 -0.343 1 1 1381 . 8 1 1 A 140 140 PRO CB C 140 32.000 31.484 0.516 1 1 1384 . 8 1 1 A 141 141 ASP H H 141 8.520 8.589 -0.069 1 1 1385 . 8 1 1 A 141 141 ASP HA H 141 4.780 4.974 -0.194 1 1 1388 . 8 1 1 A 141 141 ASP CA C 141 54.500 51.465 3.035 1 1 1389 . 8 1 1 A 141 141 ASP CB C 141 40.600 41.137 -0.537 1 1 1390 . 8 1 1 A 141 141 ASP N N 141 122.200 123.375 -1.175 1 1 1391 . 8 1 1 A 142 142 PRO HA H 142 4.380 4.545 -0.165 1 1 1398 . 8 1 1 A 142 142 PRO CA C 142 63.500 63.303 0.197 1 1 1399 . 8 1 1 A 142 142 PRO CB C 142 32.000 30.724 1.276 1 1 1402 . 8 1 1 A 143 143 GLU H H 143 8.460 8.169 0.291 1 1 1403 . 8 1 1 A 143 143 GLU HA H 143 4.260 4.508 -0.248 1 1 1408 . 8 1 1 A 143 143 GLU CA C 143 56.000 56.401 -0.401 1 1 1409 . 8 1 1 A 143 143 GLU CB C 143 30.000 31.580 -1.580 1 1 1411 . 8 1 1 A 143 143 GLU N N 143 119.500 120.978 -1.478 1 1 1412 . 8 1 1 A 144 144 ALA H H 144 8.030 7.094 0.936 1 1 1413 . 8 1 1 A 144 144 ALA HA H 144 4.590 4.468 0.122 1 1 1417 . 8 1 1 A 144 144 ALA CA C 144 50.300 50.425 -0.125 1 1 1418 . 8 1 1 A 144 144 ALA CB C 144 18.300 19.130 -0.830 1 1 1419 . 8 1 1 A 144 144 ALA N N 144 125.800 123.520 2.280 1 1 1420 . 8 1 1 A 145 145 PRO HA H 145 4.400 4.561 -0.161 1 1 1427 . 8 1 1 A 145 145 PRO CA C 145 62.900 62.913 -0.013 1 1 1428 . 8 1 1 A 145 145 PRO CB C 145 32.000 32.046 -0.046 1 1 1431 . 8 1 1 A 146 146 LEU H H 146 8.330 8.358 -0.028 1 1 1432 . 8 1 1 A 146 146 LEU HA H 146 4.230 4.777 -0.547 1 1 1442 . 8 1 1 A 146 146 LEU CA C 146 55.100 53.598 1.502 1 1 1443 . 8 1 1 A 146 146 LEU CB C 146 42.200 42.613 -0.413 1 1 1447 . 8 1 1 A 146 146 LEU N N 146 122.100 122.536 -0.436 1 1 1448 . 8 1 1 A 147 147 GLU H H 147 8.300 8.639 -0.339 1 1 1449 . 8 1 1 A 147 147 GLU HA H 147 4.220 4.333 -0.113 1 1 1454 . 8 1 1 A 147 147 GLU CA C 147 56.200 57.163 -0.963 1 1 1455 . 8 1 1 A 147 147 GLU CB C 147 30.300 30.584 -0.284 1 1 13 . 9 1 1 A 2 2 LYS H H 2 9.020 9.102 -0.082 1 1 14 . 9 1 1 A 2 2 LYS HA H 2 5.640 5.321 0.319 1 1 23 . 9 1 1 A 2 2 LYS CA C 2 53.700 55.109 -1.409 1 1 24 . 9 1 1 A 2 2 LYS CB C 2 34.900 34.685 0.215 1 1 28 . 9 1 1 A 2 2 LYS N N 2 125.700 126.769 -1.069 1 1 29 . 9 1 1 A 3 3 THR H H 3 8.850 8.354 0.496 1 1 30 . 9 1 1 A 3 3 THR HA H 3 4.660 4.815 -0.155 1 1 36 . 9 1 1 A 3 3 THR CA C 3 61.600 60.360 1.240 1 1 37 . 9 1 1 A 3 3 THR CB C 3 68.200 70.215 -2.015 1 1 39 . 9 1 1 A 3 3 THR N N 3 117.000 116.104 0.896 1 1 40 . 9 1 1 A 4 4 THR H H 4 8.100 8.447 -0.347 1 1 41 . 9 1 1 A 4 4 THR HA H 4 4.790 4.917 -0.127 1 1 46 . 9 1 1 A 4 4 THR CA C 4 58.500 58.575 -0.075 1 1 47 . 9 1 1 A 4 4 THR CB C 4 68.400 70.065 -1.665 1 1 49 . 9 1 1 A 4 4 THR N N 4 110.200 115.755 -5.555 1 1 50 . 9 1 1 A 5 5 PRO HA H 5 4.110 4.151 -0.041 1 1 57 . 9 1 1 A 5 5 PRO CA C 5 65.300 65.657 -0.357 1 1 58 . 9 1 1 A 5 5 PRO CB C 5 31.800 31.581 0.219 1 1 61 . 9 1 1 A 6 6 ASP H H 6 8.530 8.340 0.190 1 1 62 . 9 1 1 A 6 6 ASP HA H 6 4.350 4.405 -0.055 1 1 65 . 9 1 1 A 6 6 ASP CA C 6 56.300 57.003 -0.703 1 1 66 . 9 1 1 A 6 6 ASP CB C 6 39.500 41.736 -2.236 1 1 67 . 9 1 1 A 6 6 ASP N N 6 114.600 117.183 -2.583 1 1 68 . 9 1 1 A 7 7 ILE H H 7 7.270 7.360 -0.090 1 1 69 . 9 1 1 A 7 7 ILE HA H 7 3.620 3.759 -0.139 1 1 79 . 9 1 1 A 7 7 ILE CA C 7 61.900 64.481 -2.581 1 1 80 . 9 1 1 A 7 7 ILE CB C 7 34.900 37.992 -3.092 1 1 84 . 9 1 1 A 7 7 ILE N N 7 121.700 119.527 2.173 1 1 85 . 9 1 1 A 8 8 LEU H H 8 6.960 8.191 -1.231 1 1 86 . 9 1 1 A 8 8 LEU HA H 8 3.710 3.851 -0.141 1 1 96 . 9 1 1 A 8 8 LEU CA C 8 57.800 58.023 -0.223 1 1 97 . 9 1 1 A 8 8 LEU CB C 8 39.900 41.257 -1.357 1 1 101 . 9 1 1 A 8 8 LEU N N 8 117.200 119.915 -2.715 1 1 102 . 9 1 1 A 9 9 ASP H H 9 8.220 8.679 -0.459 1 1 103 . 9 1 1 A 9 9 ASP HA H 9 4.330 4.229 0.101 1 1 106 . 9 1 1 A 9 9 ASP CA C 9 57.600 57.872 -0.272 1 1 107 . 9 1 1 A 9 9 ASP CB C 9 40.100 41.309 -1.209 1 1 108 . 9 1 1 A 9 9 ASP N N 9 117.600 119.327 -1.727 1 1 109 . 9 1 1 A 10 10 GLN H H 10 7.630 7.536 0.094 1 1 110 . 9 1 1 A 10 10 GLN HA H 10 3.850 4.072 -0.222 1 1 117 . 9 1 1 A 10 10 GLN CA C 10 59.200 58.934 0.266 1 1 118 . 9 1 1 A 10 10 GLN CB C 10 29.300 28.279 1.021 1 1 120 . 9 1 1 A 10 10 GLN N N 10 118.700 118.046 0.654 1 1 122 . 9 1 1 A 11 11 ILE H H 11 7.590 8.445 -0.855 1 1 123 . 9 1 1 A 11 11 ILE HA H 11 2.960 3.514 -0.554 1 1 133 . 9 1 1 A 11 11 ILE CA C 11 65.800 65.304 0.496 1 1 134 . 9 1 1 A 11 11 ILE CB C 11 37.500 37.722 -0.222 1 1 138 . 9 1 1 A 11 11 ILE N N 11 121.700 120.860 0.840 1 1 139 . 9 1 1 A 12 12 ARG H H 12 7.720 8.065 -0.345 1 1 140 . 9 1 1 A 12 12 ARG HA H 12 3.610 4.055 -0.445 1 1 147 . 9 1 1 A 12 12 ARG CA C 12 61.300 58.657 2.643 1 1 148 . 9 1 1 A 12 12 ARG CB C 12 30.100 29.898 0.202 1 1 151 . 9 1 1 A 12 12 ARG N N 12 118.400 120.508 -2.108 1 1 152 . 9 1 1 A 13 13 VAL H H 13 8.480 7.533 0.947 1 1 153 . 9 1 1 A 13 13 VAL HA H 13 3.640 3.525 0.115 1 1 161 . 9 1 1 A 13 13 VAL CA C 13 66.400 66.372 0.028 1 1 162 . 9 1 1 A 13 13 VAL CB C 13 31.600 31.645 -0.045 1 1 165 . 9 1 1 A 13 13 VAL N N 13 118.400 120.819 -2.419 1 1 166 . 9 1 1 A 14 14 HIS H H 14 7.790 8.453 -0.663 1 1 167 . 9 1 1 A 14 14 HIS HA H 14 4.620 4.350 0.270 1 1 172 . 9 1 1 A 14 14 HIS CA C 14 57.500 58.240 -0.740 1 1 173 . 9 1 1 A 14 14 HIS CB C 14 31.100 28.409 2.691 1 1 176 . 9 1 1 A 14 14 HIS N N 14 119.600 117.415 2.185 1 1 177 . 9 1 1 A 15 15 GLY H H 15 8.290 8.552 -0.262 1 1 178 . 9 1 1 A 15 15 GLY HA2 H 15 3.400 3.729 -0.329 1 1 179 . 9 1 1 A 15 15 GLY HA3 H 15 3.620 3.789 -0.169 1 1 180 . 9 1 1 A 15 15 GLY CA C 15 47.800 47.273 0.527 1 1 181 . 9 1 1 A 15 15 GLY N N 15 104.200 107.442 -3.242 1 1 182 . 9 1 1 A 16 16 ALA H H 16 8.650 7.567 1.083 1 1 183 . 9 1 1 A 16 16 ALA HA H 16 3.940 3.928 0.012 1 1 187 . 9 1 1 A 16 16 ALA CA C 16 55.500 54.482 1.018 1 1 188 . 9 1 1 A 16 16 ALA CB C 16 18.600 18.280 0.320 1 1 189 . 9 1 1 A 16 16 ALA N N 16 125.700 124.964 0.736 1 1 190 . 9 1 1 A 17 17 ASP H H 17 9.020 8.649 0.371 1 1 191 . 9 1 1 A 17 17 ASP HA H 17 4.420 4.402 0.018 1 1 194 . 9 1 1 A 17 17 ASP CA C 17 56.700 57.207 -0.507 1 1 195 . 9 1 1 A 17 17 ASP CB C 17 41.300 41.909 -0.609 1 1 196 . 9 1 1 A 17 17 ASP N N 17 119.300 119.524 -0.224 1 1 197 . 9 1 1 A 18 18 ALA H H 18 8.210 7.727 0.483 1 1 198 . 9 1 1 A 18 18 ALA HA H 18 4.180 4.569 -0.389 1 1 202 . 9 1 1 A 18 18 ALA CA C 18 53.100 52.043 1.057 1 1 203 . 9 1 1 A 18 18 ALA CB C 18 19.000 18.713 0.287 1 1 204 . 9 1 1 A 18 18 ALA N N 18 118.300 119.017 -0.717 1 1 205 . 9 1 1 A 19 19 TYR H H 19 7.080 7.573 -0.493 1 1 206 . 9 1 1 A 19 19 TYR HA H 19 4.190 4.893 -0.703 1 1 213 . 9 1 1 A 19 19 TYR CA C 19 58.300 56.115 2.185 1 1 214 . 9 1 1 A 19 19 TYR CB C 19 39.100 41.100 -2.000 1 1 217 . 9 1 1 A 19 19 TYR N N 19 118.200 121.502 -3.302 1 1 218 . 9 1 1 A 20 20 PRO HA H 20 2.690 3.169 -0.479 1 1 225 . 9 1 1 A 20 20 PRO CA C 20 63.300 63.691 -0.391 1 1 226 . 9 1 1 A 20 20 PRO CB C 20 33.500 31.780 1.720 1 1 229 . 9 1 1 A 21 21 GLU H H 21 8.660 7.541 1.119 1 1 230 . 9 1 1 A 21 21 GLU HA H 21 4.420 4.848 -0.428 1 1 235 . 9 1 1 A 21 21 GLU CA C 21 55.300 55.265 0.035 1 1 236 . 9 1 1 A 21 21 GLU CB C 21 30.400 32.285 -1.885 1 1 238 . 9 1 1 A 21 21 GLU N N 21 124.800 112.402 12.398 1 1 239 . 9 1 1 A 22 22 GLU H H 22 8.290 9.321 -1.031 1 1 240 . 9 1 1 A 22 22 GLU HA H 22 3.990 4.162 -0.172 1 1 245 . 9 1 1 A 22 22 GLU CA C 22 56.400 57.185 -0.785 1 1 246 . 9 1 1 A 22 22 GLU CB C 22 30.900 29.357 1.543 1 1 248 . 9 1 1 A 22 22 GLU N N 22 119.700 119.774 -0.074 1 1 249 . 9 1 1 A 23 23 GLY H H 23 8.770 8.656 0.114 1 1 250 . 9 1 1 A 23 23 GLY HA2 H 23 2.430 4.059 -1.629 1 1 251 . 9 1 1 A 23 23 GLY HA3 H 23 4.270 4.103 0.167 1 1 252 . 9 1 1 A 23 23 GLY CA C 23 42.900 44.986 -2.086 1 1 253 . 9 1 1 A 23 23 GLY N N 23 112.400 113.930 -1.530 1 1 254 . 9 1 1 A 24 24 CYS H H 24 8.580 7.977 0.603 1 1 255 . 9 1 1 A 24 24 CYS HA H 24 4.630 4.307 0.323 1 1 258 . 9 1 1 A 24 24 CYS CA C 24 54.900 59.655 -4.755 1 1 259 . 9 1 1 A 24 24 CYS CB C 24 31.300 28.180 3.120 1 1 260 . 9 1 1 A 24 24 CYS N N 24 118.100 120.307 -2.207 1 1 261 . 9 1 1 A 25 25 GLY H H 25 6.730 6.960 -0.230 1 1 262 . 9 1 1 A 25 25 GLY HA2 H 25 3.650 3.891 -0.241 1 1 263 . 9 1 1 A 25 25 GLY HA3 H 25 4.030 3.910 0.120 1 1 264 . 9 1 1 A 25 25 GLY CA C 25 45.900 45.641 0.259 1 1 265 . 9 1 1 A 25 25 GLY N N 25 104.600 109.341 -4.741 1 1 266 . 9 1 1 A 26 26 PHE H H 26 9.350 8.193 1.157 1 1 267 . 9 1 1 A 26 26 PHE HA H 26 5.130 5.144 -0.014 1 1 275 . 9 1 1 A 26 26 PHE CA C 26 56.900 57.252 -0.352 1 1 276 . 9 1 1 A 26 26 PHE CB C 26 43.300 42.066 1.234 1 1 280 . 9 1 1 A 26 26 PHE N N 26 114.900 118.933 -4.033 1 1 281 . 9 1 1 A 27 27 LEU H H 27 8.320 9.556 -1.236 1 1 282 . 9 1 1 A 27 27 LEU HA H 27 4.590 5.170 -0.580 1 1 292 . 9 1 1 A 27 27 LEU CA C 27 52.900 53.931 -1.031 1 1 293 . 9 1 1 A 27 27 LEU CB C 27 41.200 43.561 -2.361 1 1 297 . 9 1 1 A 27 27 LEU N N 27 119.100 123.243 -4.143 1 1 298 . 9 1 1 A 28 28 LEU H H 28 9.050 8.941 0.109 1 1 299 . 9 1 1 A 28 28 LEU HA H 28 5.390 5.286 0.104 1 1 309 . 9 1 1 A 28 28 LEU CA C 28 51.900 53.201 -1.301 1 1 310 . 9 1 1 A 28 28 LEU CB C 28 42.900 43.819 -0.919 1 1 314 . 9 1 1 A 28 28 LEU N N 28 123.500 124.783 -1.283 1 1 315 . 9 1 1 A 29 29 GLY H H 29 9.950 8.199 1.751 1 1 316 . 9 1 1 A 29 29 GLY HA2 H 29 5.270 4.339 0.931 1 1 317 . 9 1 1 A 29 29 GLY HA3 H 29 3.900 4.349 -0.449 1 1 318 . 9 1 1 A 29 29 GLY CA C 29 46.700 46.204 0.496 1 1 319 . 9 1 1 A 29 29 GLY N N 29 112.400 110.362 2.038 1 1 320 . 9 1 1 A 30 30 THR H H 30 8.810 8.400 0.410 1 1 321 . 9 1 1 A 30 30 THR HA H 30 4.810 5.718 -0.908 1 1 326 . 9 1 1 A 30 30 THR CA C 30 59.900 59.691 0.209 1 1 327 . 9 1 1 A 30 30 THR CB C 30 72.200 72.167 0.033 1 1 329 . 9 1 1 A 30 30 THR N N 30 116.000 113.775 2.225 1 1 330 . 9 1 1 A 31 31 VAL H H 31 8.530 8.989 -0.459 1 1 331 . 9 1 1 A 31 31 VAL HA H 31 4.830 4.213 0.617 1 1 339 . 9 1 1 A 31 31 VAL CA C 31 61.900 62.296 -0.396 1 1 340 . 9 1 1 A 31 31 VAL CB C 31 32.200 32.475 -0.275 1 1 343 . 9 1 1 A 31 31 VAL N N 31 124.200 123.189 1.011 1 1 344 . 9 1 1 A 32 32 THR H H 32 9.040 8.256 0.784 1 1 345 . 9 1 1 A 32 32 THR HA H 32 4.580 4.638 -0.058 1 1 350 . 9 1 1 A 32 32 THR CA C 32 61.200 61.741 -0.541 1 1 351 . 9 1 1 A 32 32 THR CB C 32 70.700 69.264 1.436 1 1 353 . 9 1 1 A 32 32 THR N N 32 118.900 117.905 0.995 1 1 354 . 9 1 1 A 33 33 ASP H H 33 8.980 8.057 0.923 1 1 355 . 9 1 1 A 33 33 ASP HA H 33 4.400 4.332 0.068 1 1 358 . 9 1 1 A 33 33 ASP CA C 33 56.800 55.794 1.006 1 1 359 . 9 1 1 A 33 33 ASP CB C 33 40.100 38.879 1.221 1 1 360 . 9 1 1 A 33 33 ASP N N 33 121.100 116.554 4.546 1 1 361 . 9 1 1 A 34 34 ASP H H 34 7.960 8.404 -0.444 1 1 362 . 9 1 1 A 34 34 ASP HA H 34 4.640 4.605 0.035 1 1 365 . 9 1 1 A 34 34 ASP CA C 34 53.500 54.159 -0.659 1 1 366 . 9 1 1 A 34 34 ASP CB C 34 40.400 40.907 -0.507 1 1 367 . 9 1 1 A 34 34 ASP N N 34 115.400 119.075 -3.675 1 1 368 . 9 1 1 A 35 35 GLY H H 35 8.080 7.838 0.242 1 1 369 . 9 1 1 A 35 35 GLY HA2 H 35 3.590 4.020 -0.430 1 1 370 . 9 1 1 A 35 35 GLY HA3 H 35 4.200 4.021 0.179 1 1 371 . 9 1 1 A 35 35 GLY CA C 35 45.400 44.974 0.426 1 1 372 . 9 1 1 A 35 35 GLY N N 35 108.400 105.879 2.521 1 1 373 . 9 1 1 A 36 36 ASP H H 36 7.690 7.942 -0.252 1 1 374 . 9 1 1 A 36 36 ASP HA H 36 4.790 4.924 -0.134 1 1 377 . 9 1 1 A 36 36 ASP CA C 36 51.900 53.131 -1.231 1 1 378 . 9 1 1 A 36 36 ASP CB C 36 42.300 43.205 -0.905 1 1 379 . 9 1 1 A 36 36 ASP N N 36 120.100 121.609 -1.509 1 1 380 . 9 1 1 A 37 37 ASN H H 37 8.920 8.985 -0.065 1 1 381 . 9 1 1 A 37 37 ASN HA H 37 5.180 5.518 -0.338 1 1 386 . 9 1 1 A 37 37 ASN CA C 37 52.900 51.213 1.687 1 1 387 . 9 1 1 A 37 37 ASN CB C 37 38.800 41.852 -3.052 1 1 388 . 9 1 1 A 37 37 ASN N N 37 119.000 119.008 -0.008 1 1 390 . 9 1 1 A 38 38 ARG H H 38 9.480 9.131 0.349 1 1 391 . 9 1 1 A 38 38 ARG HA H 38 5.310 5.364 -0.054 1 1 398 . 9 1 1 A 38 38 ARG CA C 38 53.500 55.059 -1.559 1 1 399 . 9 1 1 A 38 38 ARG CB C 38 31.000 32.775 -1.775 1 1 402 . 9 1 1 A 38 38 ARG N N 38 126.900 122.163 4.737 1 1 403 . 9 1 1 A 39 39 VAL H H 39 8.810 9.010 -0.200 1 1 404 . 9 1 1 A 39 39 VAL HA H 39 4.150 4.379 -0.229 1 1 412 . 9 1 1 A 39 39 VAL CA C 39 62.800 62.112 0.688 1 1 413 . 9 1 1 A 39 39 VAL CB C 39 33.100 32.707 0.393 1 1 416 . 9 1 1 A 39 39 VAL N N 39 125.700 123.296 2.404 1 1 417 . 9 1 1 A 40 40 ALA H H 40 9.680 8.819 0.861 1 1 418 . 9 1 1 A 40 40 ALA HA H 40 4.690 4.573 0.117 1 1 422 . 9 1 1 A 40 40 ALA CA C 40 51.300 52.835 -1.535 1 1 423 . 9 1 1 A 40 40 ALA CB C 40 22.700 21.061 1.639 1 1 424 . 9 1 1 A 40 40 ALA N N 40 102.300 129.763 -27.463 1 1 425 . 9 1 1 A 41 41 ALA H H 41 8.370 7.852 0.518 1 1 426 . 9 1 1 A 41 41 ALA HA H 41 4.530 4.753 -0.223 1 1 430 . 9 1 1 A 41 41 ALA CA C 41 51.700 51.498 0.202 1 1 431 . 9 1 1 A 41 41 ALA CB C 41 22.200 23.277 -1.077 1 1 432 . 9 1 1 A 41 41 ALA N N 41 120.200 117.693 2.507 1 1 433 . 9 1 1 A 42 42 LEU H H 42 8.690 8.606 0.084 1 1 434 . 9 1 1 A 42 42 LEU HA H 42 5.320 5.179 0.141 1 1 444 . 9 1 1 A 42 42 LEU CA C 42 53.500 53.743 -0.243 1 1 445 . 9 1 1 A 42 42 LEU CB C 42 46.300 44.743 1.557 1 1 449 . 9 1 1 A 42 42 LEU N N 42 118.300 118.526 -0.226 1 1 450 . 9 1 1 A 43 43 HIS H H 43 8.820 9.120 -0.300 1 1 451 . 9 1 1 A 43 43 HIS HA H 43 4.870 5.458 -0.588 1 1 456 . 9 1 1 A 43 43 HIS CA C 43 56.300 53.987 2.313 1 1 457 . 9 1 1 A 43 43 HIS CB C 43 34.200 32.867 1.333 1 1 460 . 9 1 1 A 43 43 HIS N N 43 120.700 124.217 -3.517 1 1 461 . 9 1 1 A 44 44 ARG H H 44 8.580 8.687 -0.107 1 1 462 . 9 1 1 A 44 44 ARG HA H 44 4.420 4.756 -0.336 1 1 469 . 9 1 1 A 44 44 ARG CA C 44 57.400 54.350 3.050 1 1 470 . 9 1 1 A 44 44 ARG CB C 44 31.100 32.142 -1.042 1 1 473 . 9 1 1 A 44 44 ARG N N 44 128.300 125.776 2.524 1 1 474 . 9 1 1 A 45 45 ALA H H 45 8.580 8.347 0.233 1 1 475 . 9 1 1 A 45 45 ALA HA H 45 4.720 4.509 0.211 1 1 479 . 9 1 1 A 45 45 ALA CA C 45 51.500 51.856 -0.356 1 1 480 . 9 1 1 A 45 45 ALA CB C 45 20.200 17.314 2.886 1 1 481 . 9 1 1 A 45 45 ALA N N 45 125.700 126.535 -0.835 1 1 482 . 9 1 1 A 46 46 THR H H 46 8.250 8.333 -0.083 1 1 483 . 9 1 1 A 46 46 THR HA H 46 4.270 4.736 -0.466 1 1 488 . 9 1 1 A 46 46 THR CA C 46 62.000 61.221 0.779 1 1 489 . 9 1 1 A 46 46 THR CB C 46 69.900 71.004 -1.104 1 1 491 . 9 1 1 A 46 46 THR N N 46 115.500 115.199 0.301 1 1 492 . 9 1 1 A 47 47 ASN H H 47 8.590 8.547 0.043 1 1 493 . 9 1 1 A 47 47 ASN HA H 47 4.620 5.145 -0.525 1 1 498 . 9 1 1 A 47 47 ASN CA C 47 53.400 53.188 0.212 1 1 499 . 9 1 1 A 47 47 ASN CB C 47 38.400 41.547 -3.147 1 1 500 . 9 1 1 A 47 47 ASN N N 47 122.400 124.328 -1.928 1 1 502 . 9 1 1 A 50 50 SER H H 50 8.480 8.804 -0.324 1 1 503 . 9 1 1 A 50 50 SER HA H 50 4.400 4.261 0.139 1 1 506 . 9 1 1 A 50 50 SER CA C 50 58.900 61.547 -2.647 1 1 507 . 9 1 1 A 50 50 SER CB C 50 63.600 63.422 0.178 1 1 508 . 9 1 1 A 50 50 SER N N 50 116.600 118.262 -1.662 1 1 509 . 9 1 1 A 51 51 GLU H H 51 8.510 7.624 0.886 1 1 510 . 9 1 1 A 51 51 GLU HA H 51 4.300 4.594 -0.294 1 1 515 . 9 1 1 A 51 51 GLU CA C 51 56.800 57.852 -1.052 1 1 516 . 9 1 1 A 51 51 GLU CB C 51 29.900 31.260 -1.360 1 1 518 . 9 1 1 A 51 51 GLU N N 51 121.800 118.512 3.288 1 1 519 . 9 1 1 A 52 52 GLN H H 52 8.300 7.882 0.418 1 1 520 . 9 1 1 A 52 52 GLN HA H 52 4.310 4.536 -0.226 1 1 527 . 9 1 1 A 52 52 GLN CA C 52 55.900 55.314 0.586 1 1 528 . 9 1 1 A 52 52 GLN CB C 52 29.000 28.598 0.402 1 1 530 . 9 1 1 A 52 52 GLN N N 52 119.500 117.604 1.896 1 1 532 . 9 1 1 A 53 53 ARG H H 53 8.350 8.683 -0.333 1 1 533 . 9 1 1 A 53 53 ARG HA H 53 4.310 4.695 -0.385 1 1 540 . 9 1 1 A 53 53 ARG CA C 53 56.800 54.608 2.192 1 1 541 . 9 1 1 A 53 53 ARG CB C 53 30.700 30.315 0.385 1 1 544 . 9 1 1 A 53 53 ARG N N 53 121.000 125.184 -4.184 1 1 545 . 9 1 1 A 54 54 THR H H 54 8.140 8.687 -0.547 1 1 546 . 9 1 1 A 54 54 THR HA H 54 4.340 4.376 -0.036 1 1 551 . 9 1 1 A 54 54 THR CA C 54 61.900 63.898 -1.998 1 1 552 . 9 1 1 A 54 54 THR CB C 54 69.600 68.739 0.861 1 1 554 . 9 1 1 A 54 54 THR N N 54 113.100 121.569 -8.469 1 1 555 . 9 1 1 A 64 64 TYR H H 64 8.220 8.224 -0.004 1 1 556 . 9 1 1 A 64 64 TYR HA H 64 3.360 3.483 -0.123 1 1 563 . 9 1 1 A 64 64 TYR CA C 64 61.600 61.040 0.560 1 1 564 . 9 1 1 A 64 64 TYR CB C 64 37.700 38.566 -0.866 1 1 567 . 9 1 1 A 64 64 TYR N N 64 120.700 120.759 -0.059 1 1 568 . 9 1 1 A 65 65 ARG H H 65 8.340 8.741 -0.401 1 1 569 . 9 1 1 A 65 65 ARG HA H 65 3.930 3.657 0.273 1 1 576 . 9 1 1 A 65 65 ARG CA C 65 59.600 59.569 0.031 1 1 577 . 9 1 1 A 65 65 ARG CB C 65 30.100 30.037 0.063 1 1 580 . 9 1 1 A 65 65 ARG N N 65 119.200 118.392 0.808 1 1 581 . 9 1 1 A 66 66 ALA H H 66 7.790 7.891 -0.101 1 1 582 . 9 1 1 A 66 66 ALA HA H 66 4.090 4.091 -0.001 1 1 586 . 9 1 1 A 66 66 ALA CA C 66 54.700 54.824 -0.124 1 1 587 . 9 1 1 A 66 66 ALA CB C 66 18.100 18.306 -0.206 1 1 588 . 9 1 1 A 66 66 ALA N N 66 121.900 121.802 0.098 1 1 589 . 9 1 1 A 67 67 ALA H H 67 7.550 7.590 -0.040 1 1 590 . 9 1 1 A 67 67 ALA HA H 67 2.940 3.348 -0.408 1 1 594 . 9 1 1 A 67 67 ALA CA C 67 54.300 54.652 -0.352 1 1 595 . 9 1 1 A 67 67 ALA CB C 67 18.000 17.209 0.791 1 1 596 . 9 1 1 A 67 67 ALA N N 67 123.000 120.565 2.435 1 1 597 . 9 1 1 A 68 68 ASP H H 68 8.320 8.243 0.077 1 1 598 . 9 1 1 A 68 68 ASP HA H 68 4.100 4.041 0.059 1 1 601 . 9 1 1 A 68 68 ASP CA C 68 56.800 56.986 -0.186 1 1 602 . 9 1 1 A 68 68 ASP CB C 68 41.400 41.569 -0.169 1 1 603 . 9 1 1 A 68 68 ASP N N 68 118.100 117.851 0.249 1 1 604 . 9 1 1 A 69 69 ALA H H 69 7.790 7.873 -0.083 1 1 605 . 9 1 1 A 69 69 ALA HA H 69 4.010 3.978 0.032 1 1 609 . 9 1 1 A 69 69 ALA CA C 69 55.000 55.060 -0.060 1 1 610 . 9 1 1 A 69 69 ALA CB C 69 17.600 18.209 -0.609 1 1 611 . 9 1 1 A 69 69 ALA N N 69 121.200 120.019 1.181 1 1 612 . 9 1 1 A 70 70 ALA H H 70 7.490 7.822 -0.332 1 1 613 . 9 1 1 A 70 70 ALA HA H 70 4.070 4.232 -0.162 1 1 617 . 9 1 1 A 70 70 ALA CA C 70 54.500 54.902 -0.402 1 1 618 . 9 1 1 A 70 70 ALA CB C 70 17.900 18.265 -0.365 1 1 619 . 9 1 1 A 70 70 ALA N N 70 121.200 119.968 1.232 1 1 620 . 9 1 1 A 71 71 ALA H H 71 8.620 8.217 0.403 1 1 621 . 9 1 1 A 71 71 ALA HA H 71 3.660 3.979 -0.319 1 1 625 . 9 1 1 A 71 71 ALA CA C 71 55.300 55.278 0.022 1 1 626 . 9 1 1 A 71 71 ALA CB C 71 17.800 18.137 -0.337 1 1 627 . 9 1 1 A 71 71 ALA N N 71 121.600 120.566 1.034 1 1 628 . 9 1 1 A 72 72 GLN H H 72 8.700 8.181 0.519 1 1 629 . 9 1 1 A 72 72 GLN HA H 72 4.080 4.011 0.069 1 1 636 . 9 1 1 A 72 72 GLN CA C 72 59.000 58.467 0.533 1 1 637 . 9 1 1 A 72 72 GLN CB C 72 28.000 27.896 0.104 1 1 639 . 9 1 1 A 72 72 GLN N N 72 118.600 116.340 2.260 1 1 641 . 9 1 1 A 73 73 GLU H H 73 7.640 8.403 -0.763 1 1 642 . 9 1 1 A 73 73 GLU HA H 73 4.080 4.099 -0.019 1 1 647 . 9 1 1 A 73 73 GLU CA C 73 58.800 59.106 -0.306 1 1 648 . 9 1 1 A 73 73 GLU CB C 73 29.600 29.498 0.102 1 1 650 . 9 1 1 A 73 73 GLU N N 73 119.000 119.525 -0.525 1 1 651 . 9 1 1 A 74 74 GLN H H 74 7.400 7.823 -0.423 1 1 652 . 9 1 1 A 74 74 GLN HA H 74 4.470 4.343 0.127 1 1 659 . 9 1 1 A 74 74 GLN CA C 74 55.000 55.782 -0.782 1 1 660 . 9 1 1 A 74 74 GLN CB C 74 30.900 29.288 1.612 1 1 662 . 9 1 1 A 74 74 GLN N N 74 114.600 116.480 -1.880 1 1 664 . 9 1 1 A 75 75 GLY H H 75 7.830 8.564 -0.734 1 1 665 . 9 1 1 A 75 75 GLY HA2 H 75 3.950 3.936 0.014 1 1 666 . 9 1 1 A 75 75 GLY HA3 H 75 3.870 3.941 -0.071 1 1 667 . 9 1 1 A 75 75 GLY CA C 75 46.500 46.009 0.491 1 1 668 . 9 1 1 A 75 75 GLY N N 75 109.300 108.813 0.487 1 1 669 . 9 1 1 A 76 76 LEU H H 76 8.110 8.224 -0.114 1 1 670 . 9 1 1 A 76 76 LEU HA H 76 4.650 4.922 -0.272 1 1 680 . 9 1 1 A 76 76 LEU CA C 76 52.500 53.027 -0.527 1 1 681 . 9 1 1 A 76 76 LEU CB C 76 45.700 44.980 0.720 1 1 685 . 9 1 1 A 76 76 LEU N N 76 119.300 120.052 -0.752 1 1 686 . 9 1 1 A 77 77 ASP H H 77 8.990 9.659 -0.669 1 1 687 . 9 1 1 A 77 77 ASP HA H 77 5.120 5.244 -0.124 1 1 690 . 9 1 1 A 77 77 ASP CA C 77 52.600 52.163 0.437 1 1 691 . 9 1 1 A 77 77 ASP CB C 77 44.600 43.857 0.743 1 1 692 . 9 1 1 A 77 77 ASP N N 77 117.600 118.695 -1.095 1 1 693 . 9 1 1 A 78 78 VAL H H 78 9.070 9.045 0.025 1 1 694 . 9 1 1 A 78 78 VAL HA H 78 4.090 4.290 -0.200 1 1 702 . 9 1 1 A 78 78 VAL CA C 78 63.900 63.133 0.767 1 1 703 . 9 1 1 A 78 78 VAL CB C 78 30.900 31.170 -0.270 1 1 706 . 9 1 1 A 78 78 VAL N N 78 121.900 121.021 0.879 1 1 707 . 9 1 1 A 79 79 VAL H H 79 8.360 8.715 -0.355 1 1 708 . 9 1 1 A 79 79 VAL HA H 79 4.300 4.466 -0.166 1 1 716 . 9 1 1 A 79 79 VAL CA C 79 59.500 62.478 -2.978 1 1 717 . 9 1 1 A 79 79 VAL CB C 79 32.600 32.399 0.201 1 1 720 . 9 1 1 A 79 79 VAL N N 79 116.700 122.987 -6.287 1 1 721 . 9 1 1 A 80 80 GLY H H 80 6.970 7.723 -0.753 1 1 722 . 9 1 1 A 80 80 GLY HA2 H 80 4.380 4.242 0.138 1 1 723 . 9 1 1 A 80 80 GLY HA3 H 80 3.550 4.388 -0.838 1 1 724 . 9 1 1 A 80 80 GLY CA C 80 46.900 46.113 0.787 1 1 725 . 9 1 1 A 80 80 GLY N N 80 106.200 108.801 -2.601 1 1 726 . 9 1 1 A 81 81 VAL H H 81 8.510 8.880 -0.370 1 1 727 . 9 1 1 A 81 81 VAL HA H 81 4.900 4.937 -0.037 1 1 735 . 9 1 1 A 81 81 VAL CA C 81 59.400 60.402 -1.002 1 1 736 . 9 1 1 A 81 81 VAL CB C 81 37.600 35.873 1.727 1 1 739 . 9 1 1 A 81 81 VAL N N 81 116.200 119.549 -3.349 1 1 740 . 9 1 1 A 82 82 TYR H H 82 8.370 8.621 -0.251 1 1 741 . 9 1 1 A 82 82 TYR HA H 82 6.000 6.344 -0.344 1 1 748 . 9 1 1 A 82 82 TYR CA C 82 54.900 55.344 -0.444 1 1 749 . 9 1 1 A 82 82 TYR CB C 82 42.800 42.206 0.594 1 1 752 . 9 1 1 A 82 82 TYR N N 82 118.100 121.879 -3.779 1 1 753 . 9 1 1 A 83 83 HIS H H 83 8.520 9.611 -1.091 1 1 754 . 9 1 1 A 83 83 HIS HA H 83 5.150 5.151 -0.001 1 1 759 . 9 1 1 A 83 83 HIS CA C 83 54.900 54.556 0.344 1 1 760 . 9 1 1 A 83 83 HIS CB C 83 33.200 33.668 -0.468 1 1 763 . 9 1 1 A 83 83 HIS N N 83 115.400 119.561 -4.161 1 1 764 . 9 1 1 A 84 84 SER H H 84 9.060 8.501 0.559 1 1 765 . 9 1 1 A 84 84 SER HA H 84 5.590 5.248 0.342 1 1 768 . 9 1 1 A 84 84 SER CA C 84 55.800 58.102 -2.302 1 1 769 . 9 1 1 A 84 84 SER CB C 84 65.500 64.760 0.740 1 1 770 . 9 1 1 A 84 84 SER N N 84 117.100 118.704 -1.604 1 1 771 . 9 1 1 A 85 85 HIS H H 85 8.980 9.145 -0.165 1 1 772 . 9 1 1 A 85 85 HIS HA H 85 4.830 5.030 -0.200 1 1 777 . 9 1 1 A 85 85 HIS CA C 85 50.400 53.943 -3.543 1 1 778 . 9 1 1 A 85 85 HIS CB C 85 32.000 31.522 0.478 1 1 781 . 9 1 1 A 85 85 HIS N N 85 117.600 124.101 -6.501 1 1 782 . 9 1 1 A 86 86 PRO HA H 86 5.080 4.884 0.196 1 1 789 . 9 1 1 A 86 86 PRO CA C 86 62.400 62.520 -0.120 1 1 790 . 9 1 1 A 86 86 PRO CB C 86 32.400 33.486 -1.086 1 1 793 . 9 1 1 A 87 87 ASP H H 87 10.300 8.641 1.659 1 1 794 . 9 1 1 A 87 87 ASP HA H 87 4.320 4.571 -0.251 1 1 797 . 9 1 1 A 87 87 ASP CA C 87 56.600 53.998 2.602 1 1 798 . 9 1 1 A 87 87 ASP CB C 87 39.600 40.102 -0.502 1 1 799 . 9 1 1 A 87 87 ASP N N 87 123.100 118.591 4.509 1 1 800 . 9 1 1 A 88 88 HIS H H 88 7.500 8.138 -0.638 1 1 801 . 9 1 1 A 88 88 HIS HA H 88 5.050 4.975 0.075 1 1 806 . 9 1 1 A 88 88 HIS CA C 88 54.700 53.801 0.899 1 1 807 . 9 1 1 A 88 88 HIS CB C 88 32.400 32.829 -0.429 1 1 810 . 9 1 1 A 88 88 HIS N N 88 115.000 118.554 -3.554 1 1 811 . 9 1 1 A 89 89 PRO HA H 89 4.370 4.536 -0.166 1 1 818 . 9 1 1 A 89 89 PRO CA C 89 62.700 62.981 -0.281 1 1 819 . 9 1 1 A 89 89 PRO CB C 89 31.600 32.656 -1.056 1 1 822 . 9 1 1 A 90 90 ALA H H 90 8.020 8.419 -0.399 1 1 823 . 9 1 1 A 90 90 ALA HA H 90 4.290 4.475 -0.185 1 1 827 . 9 1 1 A 90 90 ALA CA C 90 50.800 52.245 -1.445 1 1 828 . 9 1 1 A 90 90 ALA CB C 90 16.600 19.748 -3.148 1 1 829 . 9 1 1 A 90 90 ALA N N 90 125.800 122.761 3.039 1 1 830 . 9 1 1 A 91 91 ARG H H 91 7.990 7.329 0.661 1 1 831 . 9 1 1 A 91 91 ARG HA H 91 4.300 4.373 -0.073 1 1 838 . 9 1 1 A 91 91 ARG CA C 91 53.100 54.349 -1.249 1 1 839 . 9 1 1 A 91 91 ARG CB C 91 31.800 30.391 1.409 1 1 842 . 9 1 1 A 91 91 ARG N N 91 121.900 116.887 5.013 1 1 843 . 9 1 1 A 92 92 PRO HA H 92 4.070 4.055 0.015 1 1 850 . 9 1 1 A 92 92 PRO CA C 92 62.300 62.616 -0.316 1 1 851 . 9 1 1 A 92 92 PRO CB C 92 32.500 30.843 1.657 1 1 854 . 9 1 1 A 93 93 SER H H 93 9.960 8.670 1.290 1 1 855 . 9 1 1 A 93 93 SER HA H 93 4.630 4.512 0.118 1 1 858 . 9 1 1 A 93 93 SER CA C 93 56.300 56.704 -0.404 1 1 859 . 9 1 1 A 93 93 SER CB C 93 66.500 64.987 1.513 1 1 860 . 9 1 1 A 93 93 SER N N 93 121.800 117.445 4.355 1 1 861 . 9 1 1 A 94 94 ALA H H 94 8.880 8.900 -0.020 1 1 862 . 9 1 1 A 94 94 ALA HA H 94 4.130 3.941 0.189 1 1 866 . 9 1 1 A 94 94 ALA CA C 94 55.400 55.488 -0.088 1 1 867 . 9 1 1 A 94 94 ALA CB C 94 18.000 18.101 -0.101 1 1 868 . 9 1 1 A 94 94 ALA N N 94 123.100 127.229 -4.129 1 1 869 . 9 1 1 A 95 95 THR H H 95 7.870 7.780 0.090 1 1 870 . 9 1 1 A 95 95 THR HA H 95 3.920 3.896 0.024 1 1 875 . 9 1 1 A 95 95 THR CA C 95 65.700 66.821 -1.121 1 1 876 . 9 1 1 A 95 95 THR CB C 95 68.400 68.079 0.321 1 1 878 . 9 1 1 A 95 95 THR N N 95 114.300 114.816 -0.516 1 1 879 . 9 1 1 A 96 96 ASP H H 96 7.420 7.978 -0.558 1 1 880 . 9 1 1 A 96 96 ASP HA H 96 4.230 4.271 -0.041 1 1 883 . 9 1 1 A 96 96 ASP CA C 96 57.400 57.234 0.166 1 1 884 . 9 1 1 A 96 96 ASP CB C 96 40.100 40.670 -0.570 1 1 885 . 9 1 1 A 96 96 ASP N N 96 121.000 121.351 -0.351 1 1 886 . 9 1 1 A 97 97 LEU H H 97 7.490 8.136 -0.646 1 1 887 . 9 1 1 A 97 97 LEU HA H 97 4.000 4.093 -0.093 1 1 897 . 9 1 1 A 97 97 LEU CA C 97 57.600 57.760 -0.160 1 1 898 . 9 1 1 A 97 97 LEU CB C 97 41.400 41.673 -0.273 1 1 902 . 9 1 1 A 97 97 LEU N N 97 118.900 120.503 -1.603 1 1 903 . 9 1 1 A 98 98 GLU H H 98 7.690 8.219 -0.529 1 1 904 . 9 1 1 A 98 98 GLU HA H 98 3.900 4.046 -0.146 1 1 909 . 9 1 1 A 98 98 GLU CA C 98 58.700 59.473 -0.773 1 1 910 . 9 1 1 A 98 98 GLU CB C 98 29.600 29.243 0.357 1 1 912 . 9 1 1 A 98 98 GLU N N 98 119.100 118.717 0.383 1 1 913 . 9 1 1 A 99 99 GLU H H 99 7.500 8.010 -0.510 1 1 914 . 9 1 1 A 99 99 GLU HA H 99 4.200 4.227 -0.027 1 1 919 . 9 1 1 A 99 99 GLU CA C 99 56.100 57.926 -1.826 1 1 920 . 9 1 1 A 99 99 GLU CB C 99 30.000 29.770 0.230 1 1 922 . 9 1 1 A 99 99 GLU N N 99 114.300 117.995 -3.695 1 1 923 . 9 1 1 A 100 100 ALA H H 100 7.400 7.078 0.322 1 1 924 . 9 1 1 A 100 100 ALA HA H 100 4.620 4.013 0.607 1 1 928 . 9 1 1 A 100 100 ALA CA C 100 52.000 51.224 0.776 1 1 929 . 9 1 1 A 100 100 ALA CB C 100 18.100 17.423 0.677 1 1 930 . 9 1 1 A 100 100 ALA N N 100 125.900 122.880 3.020 1 1 931 . 9 1 1 A 101 101 THR H H 101 7.790 8.545 -0.755 1 1 932 . 9 1 1 A 101 101 THR HA H 101 4.050 4.498 -0.448 1 1 937 . 9 1 1 A 101 101 THR CA C 101 61.200 63.090 -1.890 1 1 938 . 9 1 1 A 101 101 THR CB C 101 68.900 69.757 -0.857 1 1 940 . 9 1 1 A 101 101 THR N N 101 111.700 117.565 -5.865 1 1 941 . 9 1 1 A 102 102 PHE H H 102 7.320 7.355 -0.035 1 1 942 . 9 1 1 A 102 102 PHE HA H 102 4.750 4.962 -0.212 1 1 950 . 9 1 1 A 102 102 PHE CA C 102 54.300 54.749 -0.449 1 1 951 . 9 1 1 A 102 102 PHE CB C 102 38.200 39.491 -1.291 1 1 955 . 9 1 1 A 102 102 PHE N N 102 120.200 116.217 3.983 1 1 956 . 9 1 1 A 103 103 PRO HA H 103 4.480 4.288 0.192 1 1 963 . 9 1 1 A 103 103 PRO CA C 103 64.100 63.626 0.474 1 1 964 . 9 1 1 A 103 103 PRO CB C 103 32.000 32.322 -0.322 1 1 967 . 9 1 1 A 104 104 GLY H H 104 8.920 8.805 0.115 1 1 968 . 9 1 1 A 104 104 GLY HA2 H 104 4.270 3.621 0.649 1 1 969 . 9 1 1 A 104 104 GLY HA3 H 104 4.160 3.731 0.429 1 1 970 . 9 1 1 A 104 104 GLY CA C 104 45.600 44.929 0.671 1 1 971 . 9 1 1 A 104 104 GLY N N 104 109.600 110.927 -1.327 1 1 972 . 9 1 1 A 105 105 PHE H H 105 7.250 7.836 -0.586 1 1 973 . 9 1 1 A 105 105 PHE HA H 105 4.930 4.665 0.265 1 1 981 . 9 1 1 A 105 105 PHE CA C 105 54.900 57.383 -2.483 1 1 982 . 9 1 1 A 105 105 PHE CB C 105 39.400 41.362 -1.962 1 1 986 . 9 1 1 A 105 105 PHE N N 105 120.100 119.226 0.874 1 1 987 . 9 1 1 A 106 106 THR H H 106 8.110 8.480 -0.370 1 1 988 . 9 1 1 A 106 106 THR HA H 106 4.840 4.645 0.195 1 1 993 . 9 1 1 A 106 106 THR CA C 106 64.400 62.256 2.144 1 1 994 . 9 1 1 A 106 106 THR CB C 106 70.500 69.685 0.815 1 1 996 . 9 1 1 A 106 106 THR N N 106 118.600 117.356 1.244 1 1 997 . 9 1 1 A 107 107 TYR H H 107 9.660 9.567 0.093 1 1 998 . 9 1 1 A 107 107 TYR HA H 107 5.150 5.672 -0.522 1 1 1005 . 9 1 1 A 107 107 TYR CA C 107 56.900 57.284 -0.384 1 1 1006 . 9 1 1 A 107 107 TYR CB C 107 38.900 39.287 -0.387 1 1 1009 . 9 1 1 A 107 107 TYR N N 107 126.600 127.347 -0.747 1 1 1010 . 9 1 1 A 108 108 VAL H H 108 9.270 9.767 -0.497 1 1 1011 . 9 1 1 A 108 108 VAL HA H 108 5.220 4.929 0.291 1 1 1019 . 9 1 1 A 108 108 VAL CA C 108 60.800 62.368 -1.568 1 1 1020 . 9 1 1 A 108 108 VAL CB C 108 33.500 32.618 0.882 1 1 1023 . 9 1 1 A 108 108 VAL N N 108 124.400 124.819 -0.419 1 1 1024 . 9 1 1 A 109 109 ILE H H 109 9.300 9.813 -0.513 1 1 1025 . 9 1 1 A 109 109 ILE HA H 109 5.150 5.379 -0.229 1 1 1035 . 9 1 1 A 109 109 ILE CA C 109 58.000 59.404 -1.404 1 1 1036 . 9 1 1 A 109 109 ILE CB C 109 39.600 40.014 -0.414 1 1 1040 . 9 1 1 A 109 109 ILE N N 109 128.500 129.114 -0.614 1 1 1041 . 9 1 1 A 110 110 VAL H H 110 7.910 9.152 -1.242 1 1 1042 . 9 1 1 A 110 110 VAL HA H 110 5.650 5.008 0.642 1 1 1050 . 9 1 1 A 110 110 VAL CA C 110 56.800 59.830 -3.030 1 1 1051 . 9 1 1 A 110 110 VAL CB C 110 35.400 34.226 1.174 1 1 1054 . 9 1 1 A 110 110 VAL N N 110 122.600 129.172 -6.572 1 1 1055 . 9 1 1 A 111 111 SER H H 111 9.390 8.879 0.511 1 1 1056 . 9 1 1 A 111 111 SER HA H 111 4.850 4.969 -0.119 1 1 1059 . 9 1 1 A 111 111 SER CA C 111 57.700 58.069 -0.369 1 1 1060 . 9 1 1 A 111 111 SER CB C 111 64.500 63.822 0.678 1 1 1061 . 9 1 1 A 111 111 SER N N 111 124.700 124.776 -0.076 1 1 1062 . 9 1 1 A 112 112 VAL H H 112 7.850 9.043 -1.193 1 1 1063 . 9 1 1 A 112 112 VAL HA H 112 4.530 4.422 0.108 1 1 1071 . 9 1 1 A 112 112 VAL CA C 112 61.000 61.352 -0.352 1 1 1072 . 9 1 1 A 112 112 VAL CB C 112 33.800 32.792 1.008 1 1 1075 . 9 1 1 A 112 112 VAL N N 112 126.100 127.601 -1.501 1 1 1076 . 9 1 1 A 113 113 ARG H H 113 8.620 9.066 -0.446 1 1 1077 . 9 1 1 A 113 113 ARG HA H 113 5.020 4.661 0.359 1 1 1084 . 9 1 1 A 113 113 ARG CA C 113 54.100 54.228 -0.128 1 1 1085 . 9 1 1 A 113 113 ARG CB C 113 31.500 29.568 1.932 1 1 1088 . 9 1 1 A 113 113 ARG N N 113 128.800 126.201 2.599 1 1 1089 . 9 1 1 A 114 114 ASP H H 114 9.650 8.849 0.801 1 1 1090 . 9 1 1 A 114 114 ASP HA H 114 4.370 4.713 -0.343 1 1 1093 . 9 1 1 A 114 114 ASP CA C 114 55.100 55.547 -0.447 1 1 1094 . 9 1 1 A 114 114 ASP CB C 114 39.800 40.465 -0.665 1 1 1095 . 9 1 1 A 114 114 ASP N N 114 128.100 124.128 3.972 1 1 1096 . 9 1 1 A 115 115 GLY H H 115 8.350 8.185 0.165 1 1 1097 . 9 1 1 A 115 115 GLY HA2 H 115 3.980 3.858 0.122 1 1 1098 . 9 1 1 A 115 115 GLY HA3 H 115 2.460 4.013 -1.553 1 1 1099 . 9 1 1 A 115 115 GLY CA C 115 45.500 45.181 0.319 1 1 1100 . 9 1 1 A 115 115 GLY N N 115 109.900 105.951 3.949 1 1 1101 . 9 1 1 A 116 116 ALA H H 116 7.610 7.646 -0.036 1 1 1102 . 9 1 1 A 116 116 ALA HA H 116 4.920 4.515 0.405 1 1 1106 . 9 1 1 A 116 116 ALA CA C 116 48.200 49.194 -0.994 1 1 1107 . 9 1 1 A 116 116 ALA CB C 116 19.600 19.934 -0.334 1 1 1108 . 9 1 1 A 116 116 ALA N N 116 123.900 124.480 -0.580 1 1 1109 . 9 1 1 A 117 117 PRO HA H 117 4.670 4.832 -0.162 1 1 1116 . 9 1 1 A 117 117 PRO CA C 117 62.900 62.734 0.166 1 1 1117 . 9 1 1 A 117 117 PRO CB C 117 31.500 31.724 -0.224 1 1 1120 . 9 1 1 A 118 118 GLU H H 118 8.900 8.714 0.186 1 1 1121 . 9 1 1 A 118 118 GLU HA H 118 4.540 4.252 0.288 1 1 1126 . 9 1 1 A 118 118 GLU CA C 118 56.200 59.192 -2.992 1 1 1127 . 9 1 1 A 118 118 GLU CB C 118 30.500 30.470 0.030 1 1 1129 . 9 1 1 A 118 118 GLU N N 118 127.400 123.626 3.774 1 1 1130 . 9 1 1 A 119 119 ALA H H 119 8.060 7.712 0.348 1 1 1131 . 9 1 1 A 119 119 ALA HA H 119 4.460 4.663 -0.203 1 1 1135 . 9 1 1 A 119 119 ALA CA C 119 52.600 51.467 1.133 1 1 1136 . 9 1 1 A 119 119 ALA CB C 119 21.000 22.932 -1.932 1 1 1137 . 9 1 1 A 119 119 ALA N N 119 123.500 119.175 4.325 1 1 1138 . 9 1 1 A 120 120 LEU H H 120 8.170 8.649 -0.479 1 1 1139 . 9 1 1 A 120 120 LEU HA H 120 5.400 5.297 0.103 1 1 1149 . 9 1 1 A 120 120 LEU CA C 120 55.000 52.912 2.088 1 1 1150 . 9 1 1 A 120 120 LEU CB C 120 45.300 45.120 0.180 1 1 1154 . 9 1 1 A 120 120 LEU N N 120 123.500 115.724 7.776 1 1 1155 . 9 1 1 A 121 121 THR H H 121 9.450 9.396 0.054 1 1 1156 . 9 1 1 A 121 121 THR HA H 121 4.520 5.260 -0.740 1 1 1161 . 9 1 1 A 121 121 THR CA C 121 58.700 59.371 -0.671 1 1 1162 . 9 1 1 A 121 121 THR CB C 121 72.100 71.822 0.278 1 1 1164 . 9 1 1 A 121 121 THR N N 121 117.400 114.343 3.057 1 1 1165 . 9 1 1 A 122 122 ALA H H 122 8.620 8.300 0.320 1 1 1166 . 9 1 1 A 122 122 ALA HA H 122 5.370 5.688 -0.318 1 1 1170 . 9 1 1 A 122 122 ALA CA C 122 50.400 50.047 0.353 1 1 1171 . 9 1 1 A 122 122 ALA CB C 122 21.900 22.669 -0.769 1 1 1172 . 9 1 1 A 122 122 ALA N N 122 123.400 124.445 -1.045 1 1 1173 . 9 1 1 A 123 123 TRP H H 123 8.740 9.261 -0.521 1 1 1174 . 9 1 1 A 123 123 TRP HA H 123 5.090 5.382 -0.292 1 1 1183 . 9 1 1 A 123 123 TRP CA C 123 56.700 56.534 0.166 1 1 1184 . 9 1 1 A 123 123 TRP CB C 123 33.300 33.306 -0.006 1 1 1190 . 9 1 1 A 123 123 TRP N N 123 118.700 120.659 -1.959 1 1 1192 . 9 1 1 A 124 124 ALA H H 124 9.570 9.548 0.022 1 1 1193 . 9 1 1 A 124 124 ALA HA H 124 5.360 5.124 0.236 1 1 1197 . 9 1 1 A 124 124 ALA CA C 124 50.300 50.260 0.040 1 1 1198 . 9 1 1 A 124 124 ALA CB C 124 22.600 20.662 1.938 1 1 1199 . 9 1 1 A 124 124 ALA N N 124 123.200 126.328 -3.128 1 1 1200 . 9 1 1 A 125 125 LEU H H 125 9.830 8.593 1.237 1 1 1201 . 9 1 1 A 125 125 LEU HA H 125 4.190 4.192 -0.002 1 1 1211 . 9 1 1 A 125 125 LEU CA C 125 54.700 54.477 0.223 1 1 1212 . 9 1 1 A 125 125 LEU CB C 125 44.000 43.179 0.821 1 1 1216 . 9 1 1 A 125 125 LEU N N 125 125.000 126.196 -1.196 1 1 1217 . 9 1 1 A 126 126 ALA H H 126 8.310 8.717 -0.407 1 1 1218 . 9 1 1 A 126 126 ALA HA H 126 4.460 4.416 0.044 1 1 1222 . 9 1 1 A 126 126 ALA CA C 126 51.100 50.689 0.411 1 1 1223 . 9 1 1 A 126 126 ALA CB C 126 18.300 18.324 -0.024 1 1 1224 . 9 1 1 A 126 126 ALA N N 126 127.000 129.234 -2.234 1 1 1225 . 9 1 1 A 127 127 PRO HA H 127 4.340 4.276 0.064 1 1 1232 . 9 1 1 A 127 127 PRO CA C 127 65.400 65.271 0.129 1 1 1233 . 9 1 1 A 127 127 PRO CB C 127 31.800 31.819 -0.019 1 1 1236 . 9 1 1 A 128 128 ASP H H 128 7.680 7.663 0.017 1 1 1237 . 9 1 1 A 128 128 ASP HA H 128 4.550 4.718 -0.168 1 1 1240 . 9 1 1 A 128 128 ASP CA C 128 52.900 53.803 -0.903 1 1 1241 . 9 1 1 A 128 128 ASP CB C 128 39.600 41.083 -1.483 1 1 1242 . 9 1 1 A 128 128 ASP N N 128 113.100 115.178 -2.078 1 1 1243 . 9 1 1 A 129 129 ARG H H 129 8.500 8.297 0.203 1 1 1244 . 9 1 1 A 129 129 ARG HA H 129 3.500 3.947 -0.447 1 1 1251 . 9 1 1 A 129 129 ARG CA C 129 57.600 57.256 0.344 1 1 1252 . 9 1 1 A 129 129 ARG CB C 129 26.900 26.972 -0.072 1 1 1255 . 9 1 1 A 129 129 ARG N N 129 113.100 115.577 -2.477 1 1 1256 . 9 1 1 A 130 130 SER H H 130 8.050 8.243 -0.193 1 1 1257 . 9 1 1 A 130 130 SER HA H 130 4.020 4.333 -0.313 1 1 1260 . 9 1 1 A 130 130 SER CA C 130 60.100 60.764 -0.664 1 1 1261 . 9 1 1 A 130 130 SER CB C 130 63.600 63.671 -0.071 1 1 1262 . 9 1 1 A 130 130 SER N N 130 111.100 111.863 -0.763 1 1 1263 . 9 1 1 A 131 131 GLU H H 131 7.060 7.753 -0.693 1 1 1264 . 9 1 1 A 131 131 GLU HA H 131 4.420 4.670 -0.250 1 1 1269 . 9 1 1 A 131 131 GLU CA C 131 54.400 55.267 -0.867 1 1 1270 . 9 1 1 A 131 131 GLU CB C 131 31.800 31.365 0.435 1 1 1272 . 9 1 1 A 131 131 GLU N N 131 114.400 118.044 -3.644 1 1 1273 . 9 1 1 A 132 132 PHE H H 132 8.740 8.691 0.049 1 1 1274 . 9 1 1 A 132 132 PHE HA H 132 5.390 5.643 -0.253 1 1 1282 . 9 1 1 A 132 132 PHE CA C 132 57.200 56.474 0.726 1 1 1283 . 9 1 1 A 132 132 PHE CB C 132 42.900 41.911 0.989 1 1 1287 . 9 1 1 A 132 132 PHE N N 132 117.300 117.157 0.143 1 1 1288 . 9 1 1 A 133 133 HIS H H 133 9.870 9.485 0.385 1 1 1289 . 9 1 1 A 133 133 HIS HA H 133 5.380 5.175 0.205 1 1 1294 . 9 1 1 A 133 133 HIS CA C 133 53.300 54.582 -1.282 1 1 1295 . 9 1 1 A 133 133 HIS CB C 133 32.700 33.090 -0.390 1 1 1298 . 9 1 1 A 133 133 HIS N N 133 117.900 119.371 -1.471 1 1 1299 . 9 1 1 A 134 134 ARG H H 134 9.080 8.777 0.303 1 1 1300 . 9 1 1 A 134 134 ARG HA H 134 3.500 4.079 -0.579 1 1 1307 . 9 1 1 A 134 134 ARG CA C 134 57.100 56.141 0.959 1 1 1308 . 9 1 1 A 134 134 ARG CB C 134 30.100 30.966 -0.866 1 1 1311 . 9 1 1 A 134 134 ARG N N 134 125.600 124.026 1.574 1 1 1312 . 9 1 1 A 135 135 GLU H H 135 8.410 8.869 -0.459 1 1 1313 . 9 1 1 A 135 135 GLU HA H 135 4.550 5.052 -0.502 1 1 1318 . 9 1 1 A 135 135 GLU CA C 135 54.000 54.498 -0.498 1 1 1319 . 9 1 1 A 135 135 GLU CB C 135 33.000 33.434 -0.434 1 1 1321 . 9 1 1 A 135 135 GLU N N 135 128.500 125.339 3.161 1 1 1322 . 9 1 1 A 136 136 ASP H H 136 8.480 8.840 -0.360 1 1 1323 . 9 1 1 A 136 136 ASP HA H 136 4.460 5.411 -0.951 1 1 1326 . 9 1 1 A 136 136 ASP CA C 136 54.700 52.246 2.454 1 1 1327 . 9 1 1 A 136 136 ASP CB C 136 41.500 44.757 -3.257 1 1 1328 . 9 1 1 A 136 136 ASP N N 136 124.300 123.822 0.478 1 1 1329 . 9 1 1 A 137 137 ILE H H 137 8.340 8.478 -0.138 1 1 1330 . 9 1 1 A 137 137 ILE HA H 137 4.570 4.474 0.096 1 1 1340 . 9 1 1 A 137 137 ILE CA C 137 61.400 60.140 1.260 1 1 1341 . 9 1 1 A 137 137 ILE CB C 137 38.600 37.796 0.804 1 1 1345 . 9 1 1 A 137 137 ILE N N 137 121.100 121.810 -0.710 1 1 1346 . 9 1 1 A 138 138 VAL H H 138 8.730 8.881 -0.151 1 1 1347 . 9 1 1 A 138 138 VAL HA H 138 4.570 4.858 -0.288 1 1 1355 . 9 1 1 A 138 138 VAL CA C 138 59.800 58.875 0.925 1 1 1356 . 9 1 1 A 138 138 VAL CB C 138 34.700 35.237 -0.537 1 1 1359 . 9 1 1 A 138 138 VAL N N 138 125.100 121.593 3.507 1 1 1360 . 9 1 1 A 139 139 ARG H H 139 8.390 8.395 -0.005 1 1 1361 . 9 1 1 A 139 139 ARG HA H 139 5.210 4.649 0.561 1 1 1368 . 9 1 1 A 139 139 ARG CA C 139 53.500 54.104 -0.604 1 1 1369 . 9 1 1 A 139 139 ARG CB C 139 30.100 29.742 0.358 1 1 1372 . 9 1 1 A 139 139 ARG N N 139 122.800 123.424 -0.624 1 1 1373 . 9 1 1 A 140 140 PRO HA H 140 4.380 4.769 -0.389 1 1 1380 . 9 1 1 A 140 140 PRO CA C 140 62.400 62.539 -0.139 1 1 1381 . 9 1 1 A 140 140 PRO CB C 140 32.000 30.351 1.649 1 1 1384 . 9 1 1 A 141 141 ASP H H 141 8.520 8.256 0.264 1 1 1385 . 9 1 1 A 141 141 ASP HA H 141 4.780 5.041 -0.261 1 1 1388 . 9 1 1 A 141 141 ASP CA C 141 54.500 50.910 3.590 1 1 1389 . 9 1 1 A 141 141 ASP CB C 141 40.600 43.028 -2.428 1 1 1390 . 9 1 1 A 141 141 ASP N N 141 122.200 122.993 -0.793 1 1 1391 . 9 1 1 A 142 142 PRO HA H 142 4.380 4.508 -0.128 1 1 1398 . 9 1 1 A 142 142 PRO CA C 142 63.500 63.819 -0.319 1 1 1399 . 9 1 1 A 142 142 PRO CB C 142 32.000 32.179 -0.179 1 1 1402 . 9 1 1 A 143 143 GLU H H 143 8.460 8.147 0.313 1 1 1403 . 9 1 1 A 143 143 GLU HA H 143 4.260 4.511 -0.251 1 1 1408 . 9 1 1 A 143 143 GLU CA C 143 56.000 56.266 -0.266 1 1 1409 . 9 1 1 A 143 143 GLU CB C 143 30.000 30.505 -0.505 1 1 1411 . 9 1 1 A 143 143 GLU N N 143 119.500 120.474 -0.974 1 1 1412 . 9 1 1 A 144 144 ALA H H 144 8.030 7.034 0.996 1 1 1413 . 9 1 1 A 144 144 ALA HA H 144 4.590 4.461 0.129 1 1 1417 . 9 1 1 A 144 144 ALA CA C 144 50.300 50.444 -0.144 1 1 1418 . 9 1 1 A 144 144 ALA CB C 144 18.300 19.170 -0.870 1 1 1419 . 9 1 1 A 144 144 ALA N N 144 125.800 124.433 1.367 1 1 1420 . 9 1 1 A 145 145 PRO HA H 145 4.400 4.533 -0.133 1 1 1427 . 9 1 1 A 145 145 PRO CA C 145 62.900 62.850 0.050 1 1 1428 . 9 1 1 A 145 145 PRO CB C 145 32.000 32.130 -0.130 1 1 1431 . 9 1 1 A 146 146 LEU H H 146 8.330 8.312 0.018 1 1 1432 . 9 1 1 A 146 146 LEU HA H 146 4.230 4.361 -0.131 1 1 1442 . 9 1 1 A 146 146 LEU CA C 146 55.100 53.544 1.556 1 1 1443 . 9 1 1 A 146 146 LEU CB C 146 42.200 42.910 -0.710 1 1 1447 . 9 1 1 A 146 146 LEU N N 146 122.100 119.265 2.835 1 1 1448 . 9 1 1 A 147 147 GLU H H 147 8.300 8.521 -0.221 1 1 1449 . 9 1 1 A 147 147 GLU HA H 147 4.220 4.225 -0.005 1 1 1454 . 9 1 1 A 147 147 GLU CA C 147 56.200 56.352 -0.152 1 1 1455 . 9 1 1 A 147 147 GLU CB C 147 30.300 30.895 -0.595 1 1 13 . 10 1 1 A 2 2 LYS H H 2 9.020 8.868 0.152 1 1 14 . 10 1 1 A 2 2 LYS HA H 2 5.640 5.623 0.017 1 1 23 . 10 1 1 A 2 2 LYS CA C 2 53.700 55.196 -1.496 1 1 24 . 10 1 1 A 2 2 LYS CB C 2 34.900 33.480 1.420 1 1 28 . 10 1 1 A 2 2 LYS N N 2 125.700 126.360 -0.660 1 1 29 . 10 1 1 A 3 3 THR H H 3 8.850 8.399 0.451 1 1 30 . 10 1 1 A 3 3 THR HA H 3 4.660 4.737 -0.077 1 1 36 . 10 1 1 A 3 3 THR CA C 3 61.600 60.419 1.181 1 1 37 . 10 1 1 A 3 3 THR CB C 3 68.200 70.158 -1.958 1 1 39 . 10 1 1 A 3 3 THR N N 3 117.000 117.235 -0.235 1 1 40 . 10 1 1 A 4 4 THR H H 4 8.100 8.290 -0.190 1 1 41 . 10 1 1 A 4 4 THR HA H 4 4.790 4.914 -0.124 1 1 46 . 10 1 1 A 4 4 THR CA C 4 58.500 58.900 -0.400 1 1 47 . 10 1 1 A 4 4 THR CB C 4 68.400 69.738 -1.338 1 1 49 . 10 1 1 A 4 4 THR N N 4 110.200 115.509 -5.309 1 1 50 . 10 1 1 A 5 5 PRO HA H 5 4.110 4.189 -0.079 1 1 57 . 10 1 1 A 5 5 PRO CA C 5 65.300 65.639 -0.339 1 1 58 . 10 1 1 A 5 5 PRO CB C 5 31.800 31.738 0.062 1 1 61 . 10 1 1 A 6 6 ASP H H 6 8.530 8.416 0.114 1 1 62 . 10 1 1 A 6 6 ASP HA H 6 4.350 4.395 -0.045 1 1 65 . 10 1 1 A 6 6 ASP CA C 6 56.300 57.030 -0.730 1 1 66 . 10 1 1 A 6 6 ASP CB C 6 39.500 41.778 -2.278 1 1 67 . 10 1 1 A 6 6 ASP N N 6 114.600 117.249 -2.649 1 1 68 . 10 1 1 A 7 7 ILE H H 7 7.270 7.623 -0.353 1 1 69 . 10 1 1 A 7 7 ILE HA H 7 3.620 3.702 -0.082 1 1 79 . 10 1 1 A 7 7 ILE CA C 7 61.900 64.996 -3.096 1 1 80 . 10 1 1 A 7 7 ILE CB C 7 34.900 37.940 -3.040 1 1 84 . 10 1 1 A 7 7 ILE N N 7 121.700 119.697 2.003 1 1 85 . 10 1 1 A 8 8 LEU H H 8 6.960 7.840 -0.880 1 1 86 . 10 1 1 A 8 8 LEU HA H 8 3.710 3.882 -0.172 1 1 96 . 10 1 1 A 8 8 LEU CA C 8 57.800 57.994 -0.194 1 1 97 . 10 1 1 A 8 8 LEU CB C 8 39.900 41.208 -1.308 1 1 101 . 10 1 1 A 8 8 LEU N N 8 117.200 119.847 -2.647 1 1 102 . 10 1 1 A 9 9 ASP H H 9 8.220 8.511 -0.291 1 1 103 . 10 1 1 A 9 9 ASP HA H 9 4.330 4.241 0.089 1 1 106 . 10 1 1 A 9 9 ASP CA C 9 57.600 57.877 -0.277 1 1 107 . 10 1 1 A 9 9 ASP CB C 9 40.100 41.173 -1.073 1 1 108 . 10 1 1 A 9 9 ASP N N 9 117.600 119.396 -1.796 1 1 109 . 10 1 1 A 10 10 GLN H H 10 7.630 7.786 -0.156 1 1 110 . 10 1 1 A 10 10 GLN HA H 10 3.850 4.035 -0.185 1 1 117 . 10 1 1 A 10 10 GLN CA C 10 59.200 58.623 0.577 1 1 118 . 10 1 1 A 10 10 GLN CB C 10 29.300 28.354 0.946 1 1 120 . 10 1 1 A 10 10 GLN N N 10 118.700 117.803 0.897 1 1 122 . 10 1 1 A 11 11 ILE H H 11 7.590 7.996 -0.406 1 1 123 . 10 1 1 A 11 11 ILE HA H 11 2.960 3.544 -0.584 1 1 133 . 10 1 1 A 11 11 ILE CA C 11 65.800 65.325 0.475 1 1 134 . 10 1 1 A 11 11 ILE CB C 11 37.500 37.500 0.000 1 1 138 . 10 1 1 A 11 11 ILE N N 11 121.700 121.219 0.481 1 1 139 . 10 1 1 A 12 12 ARG H H 12 7.720 7.861 -0.141 1 1 140 . 10 1 1 A 12 12 ARG HA H 12 3.610 4.024 -0.414 1 1 147 . 10 1 1 A 12 12 ARG CA C 12 61.300 59.532 1.768 1 1 148 . 10 1 1 A 12 12 ARG CB C 12 30.100 29.914 0.186 1 1 151 . 10 1 1 A 12 12 ARG N N 12 118.400 119.874 -1.474 1 1 152 . 10 1 1 A 13 13 VAL H H 13 8.480 7.800 0.680 1 1 153 . 10 1 1 A 13 13 VAL HA H 13 3.640 3.536 0.104 1 1 161 . 10 1 1 A 13 13 VAL CA C 13 66.400 66.451 -0.051 1 1 162 . 10 1 1 A 13 13 VAL CB C 13 31.600 31.528 0.072 1 1 165 . 10 1 1 A 13 13 VAL N N 13 118.400 119.907 -1.507 1 1 166 . 10 1 1 A 14 14 HIS H H 14 7.790 8.430 -0.640 1 1 167 . 10 1 1 A 14 14 HIS HA H 14 4.620 4.344 0.276 1 1 172 . 10 1 1 A 14 14 HIS CA C 14 57.500 58.225 -0.725 1 1 173 . 10 1 1 A 14 14 HIS CB C 14 31.100 28.385 2.715 1 1 176 . 10 1 1 A 14 14 HIS N N 14 119.600 117.423 2.177 1 1 177 . 10 1 1 A 15 15 GLY H H 15 8.290 8.430 -0.140 1 1 178 . 10 1 1 A 15 15 GLY HA2 H 15 3.400 3.775 -0.375 1 1 179 . 10 1 1 A 15 15 GLY HA3 H 15 3.620 3.808 -0.188 1 1 180 . 10 1 1 A 15 15 GLY CA C 15 47.800 47.334 0.466 1 1 181 . 10 1 1 A 15 15 GLY N N 15 104.200 107.446 -3.246 1 1 182 . 10 1 1 A 16 16 ALA H H 16 8.650 7.594 1.056 1 1 183 . 10 1 1 A 16 16 ALA HA H 16 3.940 4.091 -0.151 1 1 187 . 10 1 1 A 16 16 ALA CA C 16 55.500 54.578 0.922 1 1 188 . 10 1 1 A 16 16 ALA CB C 16 18.600 18.361 0.239 1 1 189 . 10 1 1 A 16 16 ALA N N 16 125.700 125.070 0.630 1 1 190 . 10 1 1 A 17 17 ASP H H 17 9.020 8.532 0.488 1 1 191 . 10 1 1 A 17 17 ASP HA H 17 4.420 4.394 0.026 1 1 194 . 10 1 1 A 17 17 ASP CA C 17 56.700 57.291 -0.591 1 1 195 . 10 1 1 A 17 17 ASP CB C 17 41.300 42.437 -1.137 1 1 196 . 10 1 1 A 17 17 ASP N N 17 119.300 118.738 0.562 1 1 197 . 10 1 1 A 18 18 ALA H H 18 8.210 7.841 0.369 1 1 198 . 10 1 1 A 18 18 ALA HA H 18 4.180 4.146 0.034 1 1 202 . 10 1 1 A 18 18 ALA CA C 18 53.100 55.020 -1.920 1 1 203 . 10 1 1 A 18 18 ALA CB C 18 19.000 18.387 0.613 1 1 204 . 10 1 1 A 18 18 ALA N N 18 118.300 120.376 -2.076 1 1 205 . 10 1 1 A 19 19 TYR H H 19 7.080 7.951 -0.871 1 1 206 . 10 1 1 A 19 19 TYR HA H 19 4.190 4.639 -0.449 1 1 213 . 10 1 1 A 19 19 TYR CA C 19 58.300 57.536 0.764 1 1 214 . 10 1 1 A 19 19 TYR CB C 19 39.100 38.099 1.001 1 1 217 . 10 1 1 A 19 19 TYR N N 19 118.200 117.697 0.503 1 1 218 . 10 1 1 A 20 20 PRO HA H 20 2.690 4.644 -1.954 1 1 225 . 10 1 1 A 20 20 PRO CA C 20 63.300 63.818 -0.518 1 1 226 . 10 1 1 A 20 20 PRO CB C 20 33.500 32.968 0.532 1 1 229 . 10 1 1 A 21 21 GLU H H 21 8.660 7.789 0.871 1 1 230 . 10 1 1 A 21 21 GLU HA H 21 4.420 4.527 -0.107 1 1 235 . 10 1 1 A 21 21 GLU CA C 21 55.300 55.823 -0.523 1 1 236 . 10 1 1 A 21 21 GLU CB C 21 30.400 30.868 -0.468 1 1 238 . 10 1 1 A 21 21 GLU N N 21 124.800 121.038 3.762 1 1 239 . 10 1 1 A 22 22 GLU H H 22 8.290 8.616 -0.326 1 1 240 . 10 1 1 A 22 22 GLU HA H 22 3.990 4.778 -0.788 1 1 245 . 10 1 1 A 22 22 GLU CA C 22 56.400 55.636 0.764 1 1 246 . 10 1 1 A 22 22 GLU CB C 22 30.900 30.849 0.051 1 1 248 . 10 1 1 A 22 22 GLU N N 22 119.700 121.906 -2.206 1 1 249 . 10 1 1 A 23 23 GLY H H 23 8.770 8.481 0.289 1 1 250 . 10 1 1 A 23 23 GLY HA2 H 23 2.430 4.156 -1.726 1 1 251 . 10 1 1 A 23 23 GLY HA3 H 23 4.270 4.177 0.093 1 1 252 . 10 1 1 A 23 23 GLY CA C 23 42.900 45.169 -2.269 1 1 253 . 10 1 1 A 23 23 GLY N N 23 112.400 111.868 0.532 1 1 254 . 10 1 1 A 24 24 CYS H H 24 8.580 8.961 -0.381 1 1 255 . 10 1 1 A 24 24 CYS HA H 24 4.630 5.157 -0.527 1 1 258 . 10 1 1 A 24 24 CYS CA C 24 54.900 57.164 -2.264 1 1 259 . 10 1 1 A 24 24 CYS CB C 24 31.300 29.761 1.539 1 1 260 . 10 1 1 A 24 24 CYS N N 24 118.100 122.334 -4.234 1 1 261 . 10 1 1 A 25 25 GLY H H 25 6.730 7.801 -1.071 1 1 262 . 10 1 1 A 25 25 GLY HA2 H 25 3.650 3.635 0.015 1 1 263 . 10 1 1 A 25 25 GLY HA3 H 25 4.030 3.985 0.045 1 1 264 . 10 1 1 A 25 25 GLY CA C 25 45.900 45.362 0.538 1 1 265 . 10 1 1 A 25 25 GLY N N 25 104.600 106.635 -2.035 1 1 266 . 10 1 1 A 26 26 PHE H H 26 9.350 8.285 1.065 1 1 267 . 10 1 1 A 26 26 PHE HA H 26 5.130 5.121 0.009 1 1 275 . 10 1 1 A 26 26 PHE CA C 26 56.900 56.477 0.423 1 1 276 . 10 1 1 A 26 26 PHE CB C 26 43.300 43.147 0.153 1 1 280 . 10 1 1 A 26 26 PHE N N 26 114.900 118.801 -3.901 1 1 281 . 10 1 1 A 27 27 LEU H H 27 8.320 9.517 -1.197 1 1 282 . 10 1 1 A 27 27 LEU HA H 27 4.590 5.224 -0.634 1 1 292 . 10 1 1 A 27 27 LEU CA C 27 52.900 54.014 -1.114 1 1 293 . 10 1 1 A 27 27 LEU CB C 27 41.200 43.722 -2.522 1 1 297 . 10 1 1 A 27 27 LEU N N 27 119.100 123.087 -3.987 1 1 298 . 10 1 1 A 28 28 LEU H H 28 9.050 9.007 0.043 1 1 299 . 10 1 1 A 28 28 LEU HA H 28 5.390 5.301 0.089 1 1 309 . 10 1 1 A 28 28 LEU CA C 28 51.900 53.177 -1.277 1 1 310 . 10 1 1 A 28 28 LEU CB C 28 42.900 44.244 -1.344 1 1 314 . 10 1 1 A 28 28 LEU N N 28 123.500 123.993 -0.493 1 1 315 . 10 1 1 A 29 29 GLY H H 29 9.950 8.340 1.610 1 1 316 . 10 1 1 A 29 29 GLY HA2 H 29 5.270 4.395 0.875 1 1 317 . 10 1 1 A 29 29 GLY HA3 H 29 3.900 4.407 -0.507 1 1 318 . 10 1 1 A 29 29 GLY CA C 29 46.700 46.367 0.333 1 1 319 . 10 1 1 A 29 29 GLY N N 29 112.400 109.916 2.484 1 1 320 . 10 1 1 A 30 30 THR H H 30 8.810 8.543 0.267 1 1 321 . 10 1 1 A 30 30 THR HA H 30 4.810 5.626 -0.816 1 1 326 . 10 1 1 A 30 30 THR CA C 30 59.900 59.579 0.321 1 1 327 . 10 1 1 A 30 30 THR CB C 30 72.200 72.086 0.114 1 1 329 . 10 1 1 A 30 30 THR N N 30 116.000 114.354 1.646 1 1 330 . 10 1 1 A 31 31 VAL H H 31 8.530 8.584 -0.054 1 1 331 . 10 1 1 A 31 31 VAL HA H 31 4.830 4.423 0.407 1 1 339 . 10 1 1 A 31 31 VAL CA C 31 61.900 61.721 0.179 1 1 340 . 10 1 1 A 31 31 VAL CB C 31 32.200 32.458 -0.258 1 1 343 . 10 1 1 A 31 31 VAL N N 31 124.200 123.342 0.858 1 1 344 . 10 1 1 A 32 32 THR H H 32 9.040 9.006 0.034 1 1 345 . 10 1 1 A 32 32 THR HA H 32 4.580 4.448 0.132 1 1 350 . 10 1 1 A 32 32 THR CA C 32 61.200 62.363 -1.163 1 1 351 . 10 1 1 A 32 32 THR CB C 32 70.700 69.242 1.458 1 1 353 . 10 1 1 A 32 32 THR N N 32 118.900 118.662 0.238 1 1 354 . 10 1 1 A 33 33 ASP H H 33 8.980 8.174 0.806 1 1 355 . 10 1 1 A 33 33 ASP HA H 33 4.400 4.443 -0.043 1 1 358 . 10 1 1 A 33 33 ASP CA C 33 56.800 55.717 1.083 1 1 359 . 10 1 1 A 33 33 ASP CB C 33 40.100 40.626 -0.526 1 1 360 . 10 1 1 A 33 33 ASP N N 33 121.100 121.386 -0.286 1 1 361 . 10 1 1 A 34 34 ASP H H 34 7.960 8.287 -0.327 1 1 362 . 10 1 1 A 34 34 ASP HA H 34 4.640 4.626 0.014 1 1 365 . 10 1 1 A 34 34 ASP CA C 34 53.500 54.779 -1.279 1 1 366 . 10 1 1 A 34 34 ASP CB C 34 40.400 41.412 -1.012 1 1 367 . 10 1 1 A 34 34 ASP N N 34 115.400 118.479 -3.079 1 1 368 . 10 1 1 A 35 35 GLY H H 35 8.080 7.279 0.801 1 1 369 . 10 1 1 A 35 35 GLY HA2 H 35 3.590 4.041 -0.451 1 1 370 . 10 1 1 A 35 35 GLY HA3 H 35 4.200 4.043 0.157 1 1 371 . 10 1 1 A 35 35 GLY CA C 35 45.400 45.302 0.098 1 1 372 . 10 1 1 A 35 35 GLY N N 35 108.400 107.368 1.032 1 1 373 . 10 1 1 A 36 36 ASP H H 36 7.690 7.784 -0.094 1 1 374 . 10 1 1 A 36 36 ASP HA H 36 4.790 4.846 -0.056 1 1 377 . 10 1 1 A 36 36 ASP CA C 36 51.900 54.145 -2.245 1 1 378 . 10 1 1 A 36 36 ASP CB C 36 42.300 42.140 0.160 1 1 379 . 10 1 1 A 36 36 ASP N N 36 120.100 121.173 -1.073 1 1 380 . 10 1 1 A 37 37 ASN H H 37 8.920 8.946 -0.026 1 1 381 . 10 1 1 A 37 37 ASN HA H 37 5.180 5.653 -0.473 1 1 386 . 10 1 1 A 37 37 ASN CA C 37 52.900 51.392 1.508 1 1 387 . 10 1 1 A 37 37 ASN CB C 37 38.800 41.590 -2.790 1 1 388 . 10 1 1 A 37 37 ASN N N 37 119.000 117.950 1.050 1 1 390 . 10 1 1 A 38 38 ARG H H 38 9.480 9.350 0.130 1 1 391 . 10 1 1 A 38 38 ARG HA H 38 5.310 5.414 -0.104 1 1 398 . 10 1 1 A 38 38 ARG CA C 38 53.500 54.580 -1.080 1 1 399 . 10 1 1 A 38 38 ARG CB C 38 31.000 33.683 -2.683 1 1 402 . 10 1 1 A 38 38 ARG N N 38 126.900 121.219 5.681 1 1 403 . 10 1 1 A 39 39 VAL H H 39 8.810 9.304 -0.494 1 1 404 . 10 1 1 A 39 39 VAL HA H 39 4.150 4.328 -0.178 1 1 412 . 10 1 1 A 39 39 VAL CA C 39 62.800 62.370 0.430 1 1 413 . 10 1 1 A 39 39 VAL CB C 39 33.100 32.263 0.837 1 1 416 . 10 1 1 A 39 39 VAL N N 39 125.700 122.836 2.864 1 1 417 . 10 1 1 A 40 40 ALA H H 40 9.680 8.910 0.770 1 1 418 . 10 1 1 A 40 40 ALA HA H 40 4.690 4.565 0.125 1 1 422 . 10 1 1 A 40 40 ALA CA C 40 51.300 52.906 -1.606 1 1 423 . 10 1 1 A 40 40 ALA CB C 40 22.700 21.072 1.628 1 1 424 . 10 1 1 A 40 40 ALA N N 40 102.300 129.734 -27.434 1 1 425 . 10 1 1 A 41 41 ALA H H 41 8.370 7.898 0.472 1 1 426 . 10 1 1 A 41 41 ALA HA H 41 4.530 4.910 -0.380 1 1 430 . 10 1 1 A 41 41 ALA CA C 41 51.700 51.530 0.170 1 1 431 . 10 1 1 A 41 41 ALA CB C 41 22.200 23.137 -0.937 1 1 432 . 10 1 1 A 41 41 ALA N N 41 120.200 117.718 2.482 1 1 433 . 10 1 1 A 42 42 LEU H H 42 8.690 8.745 -0.055 1 1 434 . 10 1 1 A 42 42 LEU HA H 42 5.320 5.223 0.097 1 1 444 . 10 1 1 A 42 42 LEU CA C 42 53.500 53.757 -0.257 1 1 445 . 10 1 1 A 42 42 LEU CB C 42 46.300 44.278 2.022 1 1 449 . 10 1 1 A 42 42 LEU N N 42 118.300 120.787 -2.487 1 1 450 . 10 1 1 A 43 43 HIS H H 43 8.820 9.210 -0.390 1 1 451 . 10 1 1 A 43 43 HIS HA H 43 4.870 5.699 -0.829 1 1 456 . 10 1 1 A 43 43 HIS CA C 43 56.300 53.242 3.058 1 1 457 . 10 1 1 A 43 43 HIS CB C 43 34.200 33.446 0.754 1 1 460 . 10 1 1 A 43 43 HIS N N 43 120.700 118.759 1.941 1 1 461 . 10 1 1 A 44 44 ARG H H 44 8.580 8.722 -0.142 1 1 462 . 10 1 1 A 44 44 ARG HA H 44 4.420 4.511 -0.091 1 1 469 . 10 1 1 A 44 44 ARG CA C 44 57.400 54.663 2.737 1 1 470 . 10 1 1 A 44 44 ARG CB C 44 31.100 32.203 -1.103 1 1 473 . 10 1 1 A 44 44 ARG N N 44 128.300 122.209 6.091 1 1 474 . 10 1 1 A 45 45 ALA H H 45 8.580 7.840 0.740 1 1 475 . 10 1 1 A 45 45 ALA HA H 45 4.720 4.792 -0.072 1 1 479 . 10 1 1 A 45 45 ALA CA C 45 51.500 52.659 -1.159 1 1 480 . 10 1 1 A 45 45 ALA CB C 45 20.200 18.379 1.821 1 1 481 . 10 1 1 A 45 45 ALA N N 45 125.700 127.284 -1.584 1 1 482 . 10 1 1 A 46 46 THR H H 46 8.250 8.698 -0.448 1 1 483 . 10 1 1 A 46 46 THR HA H 46 4.270 4.825 -0.555 1 1 488 . 10 1 1 A 46 46 THR CA C 46 62.000 61.288 0.712 1 1 489 . 10 1 1 A 46 46 THR CB C 46 69.900 71.644 -1.744 1 1 491 . 10 1 1 A 46 46 THR N N 46 115.500 117.894 -2.394 1 1 492 . 10 1 1 A 47 47 ASN H H 47 8.590 8.570 0.020 1 1 493 . 10 1 1 A 47 47 ASN HA H 47 4.620 5.300 -0.680 1 1 498 . 10 1 1 A 47 47 ASN CA C 47 53.400 52.133 1.267 1 1 499 . 10 1 1 A 47 47 ASN CB C 47 38.400 42.421 -4.021 1 1 500 . 10 1 1 A 47 47 ASN N N 47 122.400 122.000 0.400 1 1 502 . 10 1 1 A 50 50 SER H H 50 8.480 8.753 -0.273 1 1 503 . 10 1 1 A 50 50 SER HA H 50 4.400 4.618 -0.218 1 1 506 . 10 1 1 A 50 50 SER CA C 50 58.900 59.428 -0.528 1 1 507 . 10 1 1 A 50 50 SER CB C 50 63.600 63.470 0.130 1 1 508 . 10 1 1 A 50 50 SER N N 50 116.600 122.807 -6.207 1 1 509 . 10 1 1 A 51 51 GLU H H 51 8.510 8.592 -0.082 1 1 510 . 10 1 1 A 51 51 GLU HA H 51 4.300 4.426 -0.126 1 1 515 . 10 1 1 A 51 51 GLU CA C 51 56.800 57.291 -0.491 1 1 516 . 10 1 1 A 51 51 GLU CB C 51 29.900 30.333 -0.433 1 1 518 . 10 1 1 A 51 51 GLU N N 51 121.800 124.583 -2.783 1 1 519 . 10 1 1 A 52 52 GLN H H 52 8.300 8.582 -0.282 1 1 520 . 10 1 1 A 52 52 GLN HA H 52 4.310 4.376 -0.066 1 1 527 . 10 1 1 A 52 52 GLN CA C 52 55.900 55.522 0.378 1 1 528 . 10 1 1 A 52 52 GLN CB C 52 29.000 29.734 -0.734 1 1 530 . 10 1 1 A 52 52 GLN N N 52 119.500 122.623 -3.123 1 1 532 . 10 1 1 A 53 53 ARG H H 53 8.350 9.207 -0.857 1 1 533 . 10 1 1 A 53 53 ARG HA H 53 4.310 4.141 0.169 1 1 540 . 10 1 1 A 53 53 ARG CA C 53 56.800 58.383 -1.583 1 1 541 . 10 1 1 A 53 53 ARG CB C 53 30.700 29.116 1.584 1 1 544 . 10 1 1 A 53 53 ARG N N 53 121.000 125.932 -4.932 1 1 545 . 10 1 1 A 54 54 THR H H 54 8.140 8.666 -0.526 1 1 546 . 10 1 1 A 54 54 THR HA H 54 4.340 3.874 0.466 1 1 551 . 10 1 1 A 54 54 THR CA C 54 61.900 62.652 -0.752 1 1 552 . 10 1 1 A 54 54 THR CB C 54 69.600 66.819 2.781 1 1 554 . 10 1 1 A 54 54 THR N N 54 113.100 110.631 2.469 1 1 555 . 10 1 1 A 64 64 TYR H H 64 8.220 8.564 -0.344 1 1 556 . 10 1 1 A 64 64 TYR HA H 64 3.360 3.614 -0.254 1 1 563 . 10 1 1 A 64 64 TYR CA C 64 61.600 61.184 0.416 1 1 564 . 10 1 1 A 64 64 TYR CB C 64 37.700 38.414 -0.714 1 1 567 . 10 1 1 A 64 64 TYR N N 64 120.700 119.946 0.754 1 1 568 . 10 1 1 A 65 65 ARG H H 65 8.340 7.804 0.536 1 1 569 . 10 1 1 A 65 65 ARG HA H 65 3.930 3.877 0.053 1 1 576 . 10 1 1 A 65 65 ARG CA C 65 59.600 59.636 -0.036 1 1 577 . 10 1 1 A 65 65 ARG CB C 65 30.100 30.227 -0.127 1 1 580 . 10 1 1 A 65 65 ARG N N 65 119.200 118.662 0.538 1 1 581 . 10 1 1 A 66 66 ALA H H 66 7.790 7.906 -0.116 1 1 582 . 10 1 1 A 66 66 ALA HA H 66 4.090 4.045 0.045 1 1 586 . 10 1 1 A 66 66 ALA CA C 66 54.700 54.782 -0.082 1 1 587 . 10 1 1 A 66 66 ALA CB C 66 18.100 18.259 -0.159 1 1 588 . 10 1 1 A 66 66 ALA N N 66 121.900 121.613 0.287 1 1 589 . 10 1 1 A 67 67 ALA H H 67 7.550 7.870 -0.320 1 1 590 . 10 1 1 A 67 67 ALA HA H 67 2.940 3.474 -0.534 1 1 594 . 10 1 1 A 67 67 ALA CA C 67 54.300 54.754 -0.454 1 1 595 . 10 1 1 A 67 67 ALA CB C 67 18.000 17.625 0.375 1 1 596 . 10 1 1 A 67 67 ALA N N 67 123.000 120.312 2.688 1 1 597 . 10 1 1 A 68 68 ASP H H 68 8.320 8.227 0.093 1 1 598 . 10 1 1 A 68 68 ASP HA H 68 4.100 4.106 -0.006 1 1 601 . 10 1 1 A 68 68 ASP CA C 68 56.800 56.325 0.475 1 1 602 . 10 1 1 A 68 68 ASP CB C 68 41.400 40.868 0.532 1 1 603 . 10 1 1 A 68 68 ASP N N 68 118.100 117.891 0.209 1 1 604 . 10 1 1 A 69 69 ALA H H 69 7.790 8.270 -0.480 1 1 605 . 10 1 1 A 69 69 ALA HA H 69 4.010 3.999 0.011 1 1 609 . 10 1 1 A 69 69 ALA CA C 69 55.000 55.079 -0.079 1 1 610 . 10 1 1 A 69 69 ALA CB C 69 17.600 18.076 -0.476 1 1 611 . 10 1 1 A 69 69 ALA N N 69 121.200 120.857 0.343 1 1 612 . 10 1 1 A 70 70 ALA H H 70 7.490 8.262 -0.772 1 1 613 . 10 1 1 A 70 70 ALA HA H 70 4.070 4.015 0.055 1 1 617 . 10 1 1 A 70 70 ALA CA C 70 54.500 54.824 -0.324 1 1 618 . 10 1 1 A 70 70 ALA CB C 70 17.900 18.314 -0.414 1 1 619 . 10 1 1 A 70 70 ALA N N 70 121.200 119.902 1.298 1 1 620 . 10 1 1 A 71 71 ALA H H 71 8.620 8.116 0.504 1 1 621 . 10 1 1 A 71 71 ALA HA H 71 3.660 3.971 -0.311 1 1 625 . 10 1 1 A 71 71 ALA CA C 71 55.300 55.353 -0.053 1 1 626 . 10 1 1 A 71 71 ALA CB C 71 17.800 18.110 -0.310 1 1 627 . 10 1 1 A 71 71 ALA N N 71 121.600 120.461 1.139 1 1 628 . 10 1 1 A 72 72 GLN H H 72 8.700 8.233 0.467 1 1 629 . 10 1 1 A 72 72 GLN HA H 72 4.080 4.022 0.058 1 1 636 . 10 1 1 A 72 72 GLN CA C 72 59.000 58.455 0.545 1 1 637 . 10 1 1 A 72 72 GLN CB C 72 28.000 27.917 0.083 1 1 639 . 10 1 1 A 72 72 GLN N N 72 118.600 116.460 2.140 1 1 641 . 10 1 1 A 73 73 GLU H H 73 7.640 8.464 -0.824 1 1 642 . 10 1 1 A 73 73 GLU HA H 73 4.080 4.069 0.011 1 1 647 . 10 1 1 A 73 73 GLU CA C 73 58.800 59.259 -0.459 1 1 648 . 10 1 1 A 73 73 GLU CB C 73 29.600 29.346 0.254 1 1 650 . 10 1 1 A 73 73 GLU N N 73 119.000 119.403 -0.403 1 1 651 . 10 1 1 A 74 74 GLN H H 74 7.400 7.675 -0.275 1 1 652 . 10 1 1 A 74 74 GLN HA H 74 4.470 4.360 0.110 1 1 659 . 10 1 1 A 74 74 GLN CA C 74 55.000 55.566 -0.566 1 1 660 . 10 1 1 A 74 74 GLN CB C 74 30.900 29.396 1.504 1 1 662 . 10 1 1 A 74 74 GLN N N 74 114.600 116.663 -2.063 1 1 664 . 10 1 1 A 75 75 GLY H H 75 7.830 8.202 -0.372 1 1 665 . 10 1 1 A 75 75 GLY HA2 H 75 3.950 3.947 0.003 1 1 666 . 10 1 1 A 75 75 GLY HA3 H 75 3.870 3.955 -0.085 1 1 667 . 10 1 1 A 75 75 GLY CA C 75 46.500 46.500 0.000 1 1 668 . 10 1 1 A 75 75 GLY N N 75 109.300 109.639 -0.339 1 1 669 . 10 1 1 A 76 76 LEU H H 76 8.110 8.581 -0.471 1 1 670 . 10 1 1 A 76 76 LEU HA H 76 4.650 4.911 -0.261 1 1 680 . 10 1 1 A 76 76 LEU CA C 76 52.500 53.088 -0.588 1 1 681 . 10 1 1 A 76 76 LEU CB C 76 45.700 45.251 0.449 1 1 685 . 10 1 1 A 76 76 LEU N N 76 119.300 119.935 -0.635 1 1 686 . 10 1 1 A 77 77 ASP H H 77 8.990 9.842 -0.852 1 1 687 . 10 1 1 A 77 77 ASP HA H 77 5.120 5.177 -0.057 1 1 690 . 10 1 1 A 77 77 ASP CA C 77 52.600 52.474 0.126 1 1 691 . 10 1 1 A 77 77 ASP CB C 77 44.600 43.775 0.825 1 1 692 . 10 1 1 A 77 77 ASP N N 77 117.600 118.199 -0.599 1 1 693 . 10 1 1 A 78 78 VAL H H 78 9.070 8.999 0.071 1 1 694 . 10 1 1 A 78 78 VAL HA H 78 4.090 4.346 -0.256 1 1 702 . 10 1 1 A 78 78 VAL CA C 78 63.900 62.758 1.142 1 1 703 . 10 1 1 A 78 78 VAL CB C 78 30.900 31.164 -0.264 1 1 706 . 10 1 1 A 78 78 VAL N N 78 121.900 120.724 1.176 1 1 707 . 10 1 1 A 79 79 VAL H H 79 8.360 8.520 -0.160 1 1 708 . 10 1 1 A 79 79 VAL HA H 79 4.300 4.488 -0.188 1 1 716 . 10 1 1 A 79 79 VAL CA C 79 59.500 62.734 -3.234 1 1 717 . 10 1 1 A 79 79 VAL CB C 79 32.600 32.610 -0.010 1 1 720 . 10 1 1 A 79 79 VAL N N 79 116.700 123.093 -6.393 1 1 721 . 10 1 1 A 80 80 GLY H H 80 6.970 7.158 -0.188 1 1 722 . 10 1 1 A 80 80 GLY HA2 H 80 4.380 4.177 0.203 1 1 723 . 10 1 1 A 80 80 GLY HA3 H 80 3.550 4.279 -0.729 1 1 724 . 10 1 1 A 80 80 GLY CA C 80 46.900 46.262 0.638 1 1 725 . 10 1 1 A 80 80 GLY N N 80 106.200 108.956 -2.756 1 1 726 . 10 1 1 A 81 81 VAL H H 81 8.510 8.495 0.015 1 1 727 . 10 1 1 A 81 81 VAL HA H 81 4.900 4.881 0.019 1 1 735 . 10 1 1 A 81 81 VAL CA C 81 59.400 60.248 -0.848 1 1 736 . 10 1 1 A 81 81 VAL CB C 81 37.600 35.652 1.948 1 1 739 . 10 1 1 A 81 81 VAL N N 81 116.200 119.311 -3.111 1 1 740 . 10 1 1 A 82 82 TYR H H 82 8.370 8.298 0.072 1 1 741 . 10 1 1 A 82 82 TYR HA H 82 6.000 6.428 -0.428 1 1 748 . 10 1 1 A 82 82 TYR CA C 82 54.900 55.474 -0.574 1 1 749 . 10 1 1 A 82 82 TYR CB C 82 42.800 42.173 0.627 1 1 752 . 10 1 1 A 82 82 TYR N N 82 118.100 121.525 -3.425 1 1 753 . 10 1 1 A 83 83 HIS H H 83 8.520 9.365 -0.845 1 1 754 . 10 1 1 A 83 83 HIS HA H 83 5.150 5.115 0.035 1 1 759 . 10 1 1 A 83 83 HIS CA C 83 54.900 54.292 0.608 1 1 760 . 10 1 1 A 83 83 HIS CB C 83 33.200 33.323 -0.123 1 1 763 . 10 1 1 A 83 83 HIS N N 83 115.400 119.866 -4.466 1 1 764 . 10 1 1 A 84 84 SER H H 84 9.060 9.200 -0.140 1 1 765 . 10 1 1 A 84 84 SER HA H 84 5.590 5.742 -0.152 1 1 768 . 10 1 1 A 84 84 SER CA C 84 55.800 56.751 -0.951 1 1 769 . 10 1 1 A 84 84 SER CB C 84 65.500 65.466 0.034 1 1 770 . 10 1 1 A 84 84 SER N N 84 117.100 117.474 -0.374 1 1 771 . 10 1 1 A 85 85 HIS H H 85 8.980 8.731 0.249 1 1 772 . 10 1 1 A 85 85 HIS HA H 85 4.830 4.824 0.006 1 1 777 . 10 1 1 A 85 85 HIS CA C 85 50.400 54.736 -4.336 1 1 778 . 10 1 1 A 85 85 HIS CB C 85 32.000 30.855 1.145 1 1 781 . 10 1 1 A 85 85 HIS N N 85 117.600 123.398 -5.798 1 1 782 . 10 1 1 A 86 86 PRO HA H 86 5.080 5.521 -0.441 1 1 789 . 10 1 1 A 86 86 PRO CA C 86 62.400 63.781 -1.381 1 1 790 . 10 1 1 A 86 86 PRO CB C 86 32.400 32.645 -0.245 1 1 793 . 10 1 1 A 87 87 ASP H H 87 10.300 8.437 1.863 1 1 794 . 10 1 1 A 87 87 ASP HA H 87 4.320 4.892 -0.572 1 1 797 . 10 1 1 A 87 87 ASP CA C 87 56.600 55.643 0.957 1 1 798 . 10 1 1 A 87 87 ASP CB C 87 39.600 42.788 -3.188 1 1 799 . 10 1 1 A 87 87 ASP N N 87 123.100 117.114 5.986 1 1 800 . 10 1 1 A 88 88 HIS H H 88 7.500 8.245 -0.745 1 1 801 . 10 1 1 A 88 88 HIS HA H 88 5.050 4.752 0.298 1 1 806 . 10 1 1 A 88 88 HIS CA C 88 54.700 54.246 0.454 1 1 807 . 10 1 1 A 88 88 HIS CB C 88 32.400 30.178 2.222 1 1 810 . 10 1 1 A 88 88 HIS N N 88 115.000 116.115 -1.115 1 1 811 . 10 1 1 A 89 89 PRO HA H 89 4.370 5.056 -0.686 1 1 818 . 10 1 1 A 89 89 PRO CA C 89 62.700 62.388 0.312 1 1 819 . 10 1 1 A 89 89 PRO CB C 89 31.600 33.282 -1.682 1 1 822 . 10 1 1 A 90 90 ALA H H 90 8.020 8.358 -0.338 1 1 823 . 10 1 1 A 90 90 ALA HA H 90 4.290 4.328 -0.038 1 1 827 . 10 1 1 A 90 90 ALA CA C 90 50.800 52.115 -1.315 1 1 828 . 10 1 1 A 90 90 ALA CB C 90 16.600 20.165 -3.565 1 1 829 . 10 1 1 A 90 90 ALA N N 90 125.800 123.137 2.663 1 1 830 . 10 1 1 A 91 91 ARG H H 91 7.990 8.694 -0.704 1 1 831 . 10 1 1 A 91 91 ARG HA H 91 4.300 3.654 0.646 1 1 838 . 10 1 1 A 91 91 ARG CA C 91 53.100 56.761 -3.661 1 1 839 . 10 1 1 A 91 91 ARG CB C 91 31.800 29.369 2.431 1 1 842 . 10 1 1 A 91 91 ARG N N 91 121.900 119.392 2.508 1 1 843 . 10 1 1 A 92 92 PRO HA H 92 4.070 4.317 -0.247 1 1 850 . 10 1 1 A 92 92 PRO CA C 92 62.300 62.614 -0.314 1 1 851 . 10 1 1 A 92 92 PRO CB C 92 32.500 31.677 0.823 1 1 854 . 10 1 1 A 93 93 SER H H 93 9.960 8.234 1.726 1 1 855 . 10 1 1 A 93 93 SER HA H 93 4.630 4.550 0.080 1 1 858 . 10 1 1 A 93 93 SER CA C 93 56.300 57.623 -1.323 1 1 859 . 10 1 1 A 93 93 SER CB C 93 66.500 64.245 2.255 1 1 860 . 10 1 1 A 93 93 SER N N 93 121.800 117.498 4.302 1 1 861 . 10 1 1 A 94 94 ALA H H 94 8.880 8.855 0.025 1 1 862 . 10 1 1 A 94 94 ALA HA H 94 4.130 3.962 0.168 1 1 866 . 10 1 1 A 94 94 ALA CA C 94 55.400 55.394 0.006 1 1 867 . 10 1 1 A 94 94 ALA CB C 94 18.000 18.218 -0.218 1 1 868 . 10 1 1 A 94 94 ALA N N 94 123.100 124.164 -1.064 1 1 869 . 10 1 1 A 95 95 THR H H 95 7.870 7.859 0.011 1 1 870 . 10 1 1 A 95 95 THR HA H 95 3.920 4.245 -0.325 1 1 875 . 10 1 1 A 95 95 THR CA C 95 65.700 66.525 -0.825 1 1 876 . 10 1 1 A 95 95 THR CB C 95 68.400 68.545 -0.145 1 1 878 . 10 1 1 A 95 95 THR N N 95 114.300 113.691 0.609 1 1 879 . 10 1 1 A 96 96 ASP H H 96 7.420 8.256 -0.836 1 1 880 . 10 1 1 A 96 96 ASP HA H 96 4.230 4.259 -0.029 1 1 883 . 10 1 1 A 96 96 ASP CA C 96 57.400 57.628 -0.228 1 1 884 . 10 1 1 A 96 96 ASP CB C 96 40.100 42.108 -2.008 1 1 885 . 10 1 1 A 96 96 ASP N N 96 121.000 121.344 -0.344 1 1 886 . 10 1 1 A 97 97 LEU H H 97 7.490 8.055 -0.565 1 1 887 . 10 1 1 A 97 97 LEU HA H 97 4.000 4.175 -0.175 1 1 897 . 10 1 1 A 97 97 LEU CA C 97 57.600 57.836 -0.236 1 1 898 . 10 1 1 A 97 97 LEU CB C 97 41.400 41.504 -0.104 1 1 902 . 10 1 1 A 97 97 LEU N N 97 118.900 120.390 -1.490 1 1 903 . 10 1 1 A 98 98 GLU H H 98 7.690 7.940 -0.250 1 1 904 . 10 1 1 A 98 98 GLU HA H 98 3.900 3.959 -0.059 1 1 909 . 10 1 1 A 98 98 GLU CA C 98 58.700 59.757 -1.057 1 1 910 . 10 1 1 A 98 98 GLU CB C 98 29.600 29.246 0.354 1 1 912 . 10 1 1 A 98 98 GLU N N 98 119.100 118.822 0.278 1 1 913 . 10 1 1 A 99 99 GLU H H 99 7.500 7.889 -0.389 1 1 914 . 10 1 1 A 99 99 GLU HA H 99 4.200 4.344 -0.144 1 1 919 . 10 1 1 A 99 99 GLU CA C 99 56.100 57.338 -1.238 1 1 920 . 10 1 1 A 99 99 GLU CB C 99 30.000 29.613 0.387 1 1 922 . 10 1 1 A 99 99 GLU N N 99 114.300 117.326 -3.026 1 1 923 . 10 1 1 A 100 100 ALA H H 100 7.400 7.454 -0.054 1 1 924 . 10 1 1 A 100 100 ALA HA H 100 4.620 4.045 0.575 1 1 928 . 10 1 1 A 100 100 ALA CA C 100 52.000 51.106 0.894 1 1 929 . 10 1 1 A 100 100 ALA CB C 100 18.100 17.049 1.051 1 1 930 . 10 1 1 A 100 100 ALA N N 100 125.900 124.404 1.496 1 1 931 . 10 1 1 A 101 101 THR H H 101 7.790 8.755 -0.965 1 1 932 . 10 1 1 A 101 101 THR HA H 101 4.050 4.397 -0.347 1 1 937 . 10 1 1 A 101 101 THR CA C 101 61.200 62.991 -1.791 1 1 938 . 10 1 1 A 101 101 THR CB C 101 68.900 69.719 -0.819 1 1 940 . 10 1 1 A 101 101 THR N N 101 111.700 117.511 -5.811 1 1 941 . 10 1 1 A 102 102 PHE H H 102 7.320 7.380 -0.060 1 1 942 . 10 1 1 A 102 102 PHE HA H 102 4.750 5.028 -0.278 1 1 950 . 10 1 1 A 102 102 PHE CA C 102 54.300 54.680 -0.380 1 1 951 . 10 1 1 A 102 102 PHE CB C 102 38.200 39.367 -1.167 1 1 955 . 10 1 1 A 102 102 PHE N N 102 120.200 115.940 4.260 1 1 956 . 10 1 1 A 103 103 PRO HA H 103 4.480 5.276 -0.796 1 1 963 . 10 1 1 A 103 103 PRO CA C 103 64.100 63.635 0.465 1 1 964 . 10 1 1 A 103 103 PRO CB C 103 32.000 32.571 -0.571 1 1 967 . 10 1 1 A 104 104 GLY H H 104 8.920 8.997 -0.077 1 1 968 . 10 1 1 A 104 104 GLY HA2 H 104 4.270 3.747 0.523 1 1 969 . 10 1 1 A 104 104 GLY HA3 H 104 4.160 3.859 0.301 1 1 970 . 10 1 1 A 104 104 GLY CA C 104 45.600 45.136 0.464 1 1 971 . 10 1 1 A 104 104 GLY N N 104 109.600 111.172 -1.572 1 1 972 . 10 1 1 A 105 105 PHE H H 105 7.250 7.918 -0.668 1 1 973 . 10 1 1 A 105 105 PHE HA H 105 4.930 4.934 -0.004 1 1 981 . 10 1 1 A 105 105 PHE CA C 105 54.900 56.576 -1.676 1 1 982 . 10 1 1 A 105 105 PHE CB C 105 39.400 42.451 -3.051 1 1 986 . 10 1 1 A 105 105 PHE N N 105 120.100 118.000 2.100 1 1 987 . 10 1 1 A 106 106 THR H H 106 8.110 8.569 -0.459 1 1 988 . 10 1 1 A 106 106 THR HA H 106 4.840 4.677 0.163 1 1 993 . 10 1 1 A 106 106 THR CA C 106 64.400 62.237 2.163 1 1 994 . 10 1 1 A 106 106 THR CB C 106 70.500 69.440 1.060 1 1 996 . 10 1 1 A 106 106 THR N N 106 118.600 116.873 1.727 1 1 997 . 10 1 1 A 107 107 TYR H H 107 9.660 9.618 0.042 1 1 998 . 10 1 1 A 107 107 TYR HA H 107 5.150 5.379 -0.229 1 1 1005 . 10 1 1 A 107 107 TYR CA C 107 56.900 57.170 -0.270 1 1 1006 . 10 1 1 A 107 107 TYR CB C 107 38.900 39.213 -0.313 1 1 1009 . 10 1 1 A 107 107 TYR N N 107 126.600 127.317 -0.717 1 1 1010 . 10 1 1 A 108 108 VAL H H 108 9.270 9.584 -0.314 1 1 1011 . 10 1 1 A 108 108 VAL HA H 108 5.220 4.764 0.456 1 1 1019 . 10 1 1 A 108 108 VAL CA C 108 60.800 62.278 -1.478 1 1 1020 . 10 1 1 A 108 108 VAL CB C 108 33.500 32.499 1.001 1 1 1023 . 10 1 1 A 108 108 VAL N N 108 124.400 124.680 -0.280 1 1 1024 . 10 1 1 A 109 109 ILE H H 109 9.300 9.685 -0.385 1 1 1025 . 10 1 1 A 109 109 ILE HA H 109 5.150 5.038 0.112 1 1 1035 . 10 1 1 A 109 109 ILE CA C 109 58.000 59.884 -1.884 1 1 1036 . 10 1 1 A 109 109 ILE CB C 109 39.600 39.180 0.420 1 1 1040 . 10 1 1 A 109 109 ILE N N 109 128.500 129.683 -1.183 1 1 1041 . 10 1 1 A 110 110 VAL H H 110 7.910 9.561 -1.651 1 1 1042 . 10 1 1 A 110 110 VAL HA H 110 5.650 4.999 0.651 1 1 1050 . 10 1 1 A 110 110 VAL CA C 110 56.800 59.798 -2.998 1 1 1051 . 10 1 1 A 110 110 VAL CB C 110 35.400 34.374 1.026 1 1 1054 . 10 1 1 A 110 110 VAL N N 110 122.600 129.581 -6.981 1 1 1055 . 10 1 1 A 111 111 SER H H 111 9.390 8.905 0.485 1 1 1056 . 10 1 1 A 111 111 SER HA H 111 4.850 4.932 -0.082 1 1 1059 . 10 1 1 A 111 111 SER CA C 111 57.700 56.938 0.762 1 1 1060 . 10 1 1 A 111 111 SER CB C 111 64.500 63.963 0.537 1 1 1061 . 10 1 1 A 111 111 SER N N 111 124.700 124.255 0.445 1 1 1062 . 10 1 1 A 112 112 VAL H H 112 7.850 9.120 -1.270 1 1 1063 . 10 1 1 A 112 112 VAL HA H 112 4.530 4.904 -0.374 1 1 1071 . 10 1 1 A 112 112 VAL CA C 112 61.000 61.368 -0.368 1 1 1072 . 10 1 1 A 112 112 VAL CB C 112 33.800 34.635 -0.835 1 1 1075 . 10 1 1 A 112 112 VAL N N 112 126.100 128.408 -2.308 1 1 1076 . 10 1 1 A 113 113 ARG H H 113 8.620 9.282 -0.662 1 1 1077 . 10 1 1 A 113 113 ARG HA H 113 5.020 4.787 0.233 1 1 1084 . 10 1 1 A 113 113 ARG CA C 113 54.100 54.392 -0.292 1 1 1085 . 10 1 1 A 113 113 ARG CB C 113 31.500 31.422 0.078 1 1 1088 . 10 1 1 A 113 113 ARG N N 113 128.800 127.036 1.764 1 1 1089 . 10 1 1 A 114 114 ASP H H 114 9.650 9.060 0.590 1 1 1090 . 10 1 1 A 114 114 ASP HA H 114 4.370 3.735 0.635 1 1 1093 . 10 1 1 A 114 114 ASP CA C 114 55.100 54.629 0.471 1 1 1094 . 10 1 1 A 114 114 ASP CB C 114 39.800 39.840 -0.040 1 1 1095 . 10 1 1 A 114 114 ASP N N 114 128.100 124.406 3.694 1 1 1096 . 10 1 1 A 115 115 GLY H H 115 8.350 7.383 0.967 1 1 1097 . 10 1 1 A 115 115 GLY HA2 H 115 3.980 3.564 0.416 1 1 1098 . 10 1 1 A 115 115 GLY HA3 H 115 2.460 3.618 -1.158 1 1 1099 . 10 1 1 A 115 115 GLY CA C 115 45.500 45.019 0.481 1 1 1100 . 10 1 1 A 115 115 GLY N N 115 109.900 104.891 5.009 1 1 1101 . 10 1 1 A 116 116 ALA H H 116 7.610 7.480 0.130 1 1 1102 . 10 1 1 A 116 116 ALA HA H 116 4.920 4.491 0.429 1 1 1106 . 10 1 1 A 116 116 ALA CA C 116 48.200 48.893 -0.693 1 1 1107 . 10 1 1 A 116 116 ALA CB C 116 19.600 20.227 -0.627 1 1 1108 . 10 1 1 A 116 116 ALA N N 116 123.900 123.760 0.140 1 1 1109 . 10 1 1 A 117 117 PRO HA H 117 4.670 4.609 0.061 1 1 1116 . 10 1 1 A 117 117 PRO CA C 117 62.900 62.921 -0.021 1 1 1117 . 10 1 1 A 117 117 PRO CB C 117 31.500 31.868 -0.368 1 1 1120 . 10 1 1 A 118 118 GLU H H 118 8.900 9.734 -0.834 1 1 1121 . 10 1 1 A 118 118 GLU HA H 118 4.540 4.398 0.142 1 1 1126 . 10 1 1 A 118 118 GLU CA C 118 56.200 58.410 -2.210 1 1 1127 . 10 1 1 A 118 118 GLU CB C 118 30.500 30.740 -0.240 1 1 1129 . 10 1 1 A 118 118 GLU N N 118 127.400 123.249 4.151 1 1 1130 . 10 1 1 A 119 119 ALA H H 119 8.060 7.758 0.302 1 1 1131 . 10 1 1 A 119 119 ALA HA H 119 4.460 4.710 -0.250 1 1 1135 . 10 1 1 A 119 119 ALA CA C 119 52.600 51.352 1.248 1 1 1136 . 10 1 1 A 119 119 ALA CB C 119 21.000 23.174 -2.174 1 1 1137 . 10 1 1 A 119 119 ALA N N 119 123.500 119.263 4.237 1 1 1138 . 10 1 1 A 120 120 LEU H H 120 8.170 8.606 -0.436 1 1 1139 . 10 1 1 A 120 120 LEU HA H 120 5.400 5.300 0.100 1 1 1149 . 10 1 1 A 120 120 LEU CA C 120 55.000 53.362 1.638 1 1 1150 . 10 1 1 A 120 120 LEU CB C 120 45.300 44.082 1.218 1 1 1154 . 10 1 1 A 120 120 LEU N N 120 123.500 120.488 3.012 1 1 1155 . 10 1 1 A 121 121 THR H H 121 9.450 8.803 0.647 1 1 1156 . 10 1 1 A 121 121 THR HA H 121 4.520 4.982 -0.462 1 1 1161 . 10 1 1 A 121 121 THR CA C 121 58.700 60.378 -1.678 1 1 1162 . 10 1 1 A 121 121 THR CB C 121 72.100 71.595 0.505 1 1 1164 . 10 1 1 A 121 121 THR N N 121 117.400 115.512 1.888 1 1 1165 . 10 1 1 A 122 122 ALA H H 122 8.620 8.654 -0.034 1 1 1166 . 10 1 1 A 122 122 ALA HA H 122 5.370 5.581 -0.211 1 1 1170 . 10 1 1 A 122 122 ALA CA C 122 50.400 49.827 0.573 1 1 1171 . 10 1 1 A 122 122 ALA CB C 122 21.900 22.267 -0.367 1 1 1172 . 10 1 1 A 122 122 ALA N N 122 123.400 125.537 -2.137 1 1 1173 . 10 1 1 A 123 123 TRP H H 123 8.740 9.471 -0.731 1 1 1174 . 10 1 1 A 123 123 TRP HA H 123 5.090 5.507 -0.417 1 1 1183 . 10 1 1 A 123 123 TRP CA C 123 56.700 56.481 0.219 1 1 1184 . 10 1 1 A 123 123 TRP CB C 123 33.300 33.593 -0.293 1 1 1190 . 10 1 1 A 123 123 TRP N N 123 118.700 121.294 -2.594 1 1 1192 . 10 1 1 A 124 124 ALA H H 124 9.570 9.880 -0.310 1 1 1193 . 10 1 1 A 124 124 ALA HA H 124 5.360 5.522 -0.162 1 1 1197 . 10 1 1 A 124 124 ALA CA C 124 50.300 50.436 -0.136 1 1 1198 . 10 1 1 A 124 124 ALA CB C 124 22.600 21.508 1.092 1 1 1199 . 10 1 1 A 124 124 ALA N N 124 123.200 125.450 -2.250 1 1 1200 . 10 1 1 A 125 125 LEU H H 125 9.830 9.052 0.778 1 1 1201 . 10 1 1 A 125 125 LEU HA H 125 4.190 4.115 0.075 1 1 1211 . 10 1 1 A 125 125 LEU CA C 125 54.700 54.575 0.125 1 1 1212 . 10 1 1 A 125 125 LEU CB C 125 44.000 43.144 0.856 1 1 1216 . 10 1 1 A 125 125 LEU N N 125 125.000 126.183 -1.183 1 1 1217 . 10 1 1 A 126 126 ALA H H 126 8.310 8.356 -0.046 1 1 1218 . 10 1 1 A 126 126 ALA HA H 126 4.460 4.492 -0.032 1 1 1222 . 10 1 1 A 126 126 ALA CA C 126 51.100 50.673 0.427 1 1 1223 . 10 1 1 A 126 126 ALA CB C 126 18.300 17.940 0.360 1 1 1224 . 10 1 1 A 126 126 ALA N N 126 127.000 129.195 -2.195 1 1 1225 . 10 1 1 A 127 127 PRO HA H 127 4.340 4.316 0.024 1 1 1232 . 10 1 1 A 127 127 PRO CA C 127 65.400 64.734 0.666 1 1 1233 . 10 1 1 A 127 127 PRO CB C 127 31.800 31.893 -0.093 1 1 1236 . 10 1 1 A 128 128 ASP H H 128 7.680 7.972 -0.292 1 1 1237 . 10 1 1 A 128 128 ASP HA H 128 4.550 4.565 -0.015 1 1 1240 . 10 1 1 A 128 128 ASP CA C 128 52.900 52.861 0.039 1 1 1241 . 10 1 1 A 128 128 ASP CB C 128 39.600 39.643 -0.043 1 1 1242 . 10 1 1 A 128 128 ASP N N 128 113.100 114.897 -1.797 1 1 1243 . 10 1 1 A 129 129 ARG H H 129 8.500 8.371 0.129 1 1 1244 . 10 1 1 A 129 129 ARG HA H 129 3.500 3.792 -0.292 1 1 1251 . 10 1 1 A 129 129 ARG CA C 129 57.600 56.823 0.777 1 1 1252 . 10 1 1 A 129 129 ARG CB C 129 26.900 27.840 -0.940 1 1 1255 . 10 1 1 A 129 129 ARG N N 129 113.100 118.530 -5.430 1 1 1256 . 10 1 1 A 130 130 SER H H 130 8.050 8.059 -0.009 1 1 1257 . 10 1 1 A 130 130 SER HA H 130 4.020 4.370 -0.350 1 1 1260 . 10 1 1 A 130 130 SER CA C 130 60.100 59.934 0.166 1 1 1261 . 10 1 1 A 130 130 SER CB C 130 63.600 63.743 -0.143 1 1 1262 . 10 1 1 A 130 130 SER N N 130 111.100 113.641 -2.541 1 1 1263 . 10 1 1 A 131 131 GLU H H 131 7.060 7.569 -0.509 1 1 1264 . 10 1 1 A 131 131 GLU HA H 131 4.420 4.528 -0.108 1 1 1269 . 10 1 1 A 131 131 GLU CA C 131 54.400 55.190 -0.790 1 1 1270 . 10 1 1 A 131 131 GLU CB C 131 31.800 31.469 0.331 1 1 1272 . 10 1 1 A 131 131 GLU N N 131 114.400 114.992 -0.592 1 1 1273 . 10 1 1 A 132 132 PHE H H 132 8.740 8.489 0.251 1 1 1274 . 10 1 1 A 132 132 PHE HA H 132 5.390 5.423 -0.033 1 1 1282 . 10 1 1 A 132 132 PHE CA C 132 57.200 56.694 0.506 1 1 1283 . 10 1 1 A 132 132 PHE CB C 132 42.900 41.854 1.046 1 1 1287 . 10 1 1 A 132 132 PHE N N 132 117.300 116.886 0.414 1 1 1288 . 10 1 1 A 133 133 HIS H H 133 9.870 9.625 0.245 1 1 1289 . 10 1 1 A 133 133 HIS HA H 133 5.380 5.201 0.179 1 1 1294 . 10 1 1 A 133 133 HIS CA C 133 53.300 54.525 -1.225 1 1 1295 . 10 1 1 A 133 133 HIS CB C 133 32.700 33.370 -0.670 1 1 1298 . 10 1 1 A 133 133 HIS N N 133 117.900 118.648 -0.748 1 1 1299 . 10 1 1 A 134 134 ARG H H 134 9.080 8.836 0.244 1 1 1300 . 10 1 1 A 134 134 ARG HA H 134 3.500 4.263 -0.763 1 1 1307 . 10 1 1 A 134 134 ARG CA C 134 57.100 56.330 0.770 1 1 1308 . 10 1 1 A 134 134 ARG CB C 134 30.100 30.725 -0.625 1 1 1311 . 10 1 1 A 134 134 ARG N N 134 125.600 124.365 1.235 1 1 1312 . 10 1 1 A 135 135 GLU H H 135 8.410 8.792 -0.382 1 1 1313 . 10 1 1 A 135 135 GLU HA H 135 4.550 5.039 -0.489 1 1 1318 . 10 1 1 A 135 135 GLU CA C 135 54.000 54.608 -0.608 1 1 1319 . 10 1 1 A 135 135 GLU CB C 135 33.000 33.589 -0.589 1 1 1321 . 10 1 1 A 135 135 GLU N N 135 128.500 125.283 3.217 1 1 1322 . 10 1 1 A 136 136 ASP H H 136 8.480 8.905 -0.425 1 1 1323 . 10 1 1 A 136 136 ASP HA H 136 4.460 5.026 -0.566 1 1 1326 . 10 1 1 A 136 136 ASP CA C 136 54.700 52.716 1.984 1 1 1327 . 10 1 1 A 136 136 ASP CB C 136 41.500 43.024 -1.524 1 1 1328 . 10 1 1 A 136 136 ASP N N 136 124.300 125.053 -0.753 1 1 1329 . 10 1 1 A 137 137 ILE H H 137 8.340 8.489 -0.149 1 1 1330 . 10 1 1 A 137 137 ILE HA H 137 4.570 4.403 0.167 1 1 1340 . 10 1 1 A 137 137 ILE CA C 137 61.400 60.549 0.851 1 1 1341 . 10 1 1 A 137 137 ILE CB C 137 38.600 37.369 1.231 1 1 1345 . 10 1 1 A 137 137 ILE N N 137 121.100 123.477 -2.377 1 1 1346 . 10 1 1 A 138 138 VAL H H 138 8.730 9.251 -0.521 1 1 1347 . 10 1 1 A 138 138 VAL HA H 138 4.570 4.716 -0.146 1 1 1355 . 10 1 1 A 138 138 VAL CA C 138 59.800 60.363 -0.563 1 1 1356 . 10 1 1 A 138 138 VAL CB C 138 34.700 34.382 0.318 1 1 1359 . 10 1 1 A 138 138 VAL N N 138 125.100 128.584 -3.484 1 1 1360 . 10 1 1 A 139 139 ARG H H 139 8.390 8.408 -0.018 1 1 1361 . 10 1 1 A 139 139 ARG HA H 139 5.210 4.708 0.502 1 1 1368 . 10 1 1 A 139 139 ARG CA C 139 53.500 54.218 -0.718 1 1 1369 . 10 1 1 A 139 139 ARG CB C 139 30.100 29.754 0.346 1 1 1372 . 10 1 1 A 139 139 ARG N N 139 122.800 125.344 -2.544 1 1 1373 . 10 1 1 A 140 140 PRO HA H 140 4.380 4.455 -0.075 1 1 1380 . 10 1 1 A 140 140 PRO CA C 140 62.400 63.115 -0.715 1 1 1381 . 10 1 1 A 140 140 PRO CB C 140 32.000 31.931 0.069 1 1 1384 . 10 1 1 A 141 141 ASP H H 141 8.520 8.532 -0.012 1 1 1385 . 10 1 1 A 141 141 ASP HA H 141 4.780 5.028 -0.248 1 1 1388 . 10 1 1 A 141 141 ASP CA C 141 54.500 51.388 3.112 1 1 1389 . 10 1 1 A 141 141 ASP CB C 141 40.600 41.210 -0.610 1 1 1390 . 10 1 1 A 141 141 ASP N N 141 122.200 122.584 -0.384 1 1 1391 . 10 1 1 A 142 142 PRO HA H 142 4.380 4.576 -0.196 1 1 1398 . 10 1 1 A 142 142 PRO CA C 142 63.500 63.952 -0.452 1 1 1399 . 10 1 1 A 142 142 PRO CB C 142 32.000 32.665 -0.665 1 1 1402 . 10 1 1 A 143 143 GLU H H 143 8.460 8.155 0.305 1 1 1403 . 10 1 1 A 143 143 GLU HA H 143 4.260 4.525 -0.265 1 1 1408 . 10 1 1 A 143 143 GLU CA C 143 56.000 56.295 -0.295 1 1 1409 . 10 1 1 A 143 143 GLU CB C 143 30.000 30.941 -0.941 1 1 1411 . 10 1 1 A 143 143 GLU N N 143 119.500 120.329 -0.829 1 1 1412 . 10 1 1 A 144 144 ALA H H 144 8.030 7.454 0.576 1 1 1413 . 10 1 1 A 144 144 ALA HA H 144 4.590 4.462 0.128 1 1 1417 . 10 1 1 A 144 144 ALA CA C 144 50.300 50.469 -0.169 1 1 1418 . 10 1 1 A 144 144 ALA CB C 144 18.300 19.108 -0.808 1 1 1419 . 10 1 1 A 144 144 ALA N N 144 125.800 123.740 2.060 1 1 1420 . 10 1 1 A 145 145 PRO HA H 145 4.400 4.434 -0.034 1 1 1427 . 10 1 1 A 145 145 PRO CA C 145 62.900 63.112 -0.212 1 1 1428 . 10 1 1 A 145 145 PRO CB C 145 32.000 31.820 0.180 1 1 1431 . 10 1 1 A 146 146 LEU H H 146 8.330 8.280 0.050 1 1 1432 . 10 1 1 A 146 146 LEU HA H 146 4.230 4.484 -0.254 1 1 1442 . 10 1 1 A 146 146 LEU CA C 146 55.100 54.309 0.791 1 1 1443 . 10 1 1 A 146 146 LEU CB C 146 42.200 42.498 -0.298 1 1 1447 . 10 1 1 A 146 146 LEU N N 146 122.100 123.273 -1.173 1 1 1448 . 10 1 1 A 147 147 GLU H H 147 8.300 7.791 0.509 1 1 1449 . 10 1 1 A 147 147 GLU HA H 147 4.220 4.094 0.126 1 1 1454 . 10 1 1 A 147 147 GLU CA C 147 56.200 56.302 -0.102 1 1 1455 . 10 1 1 A 147 147 GLU CB C 147 30.300 31.032 -0.732 1 1 13 . 11 1 1 A 2 2 LYS H H 2 9.020 9.066 -0.046 1 1 14 . 11 1 1 A 2 2 LYS HA H 2 5.640 5.164 0.476 1 1 23 . 11 1 1 A 2 2 LYS CA C 2 53.700 54.809 -1.109 1 1 24 . 11 1 1 A 2 2 LYS CB C 2 34.900 35.347 -0.447 1 1 28 . 11 1 1 A 2 2 LYS N N 2 125.700 126.249 -0.549 1 1 29 . 11 1 1 A 3 3 THR H H 3 8.850 8.381 0.469 1 1 30 . 11 1 1 A 3 3 THR HA H 3 4.660 4.820 -0.160 1 1 36 . 11 1 1 A 3 3 THR CA C 3 61.600 60.487 1.113 1 1 37 . 11 1 1 A 3 3 THR CB C 3 68.200 71.303 -3.103 1 1 39 . 11 1 1 A 3 3 THR N N 3 117.000 115.995 1.005 1 1 40 . 11 1 1 A 4 4 THR H H 4 8.100 8.508 -0.408 1 1 41 . 11 1 1 A 4 4 THR HA H 4 4.790 4.820 -0.030 1 1 46 . 11 1 1 A 4 4 THR CA C 4 58.500 60.265 -1.765 1 1 47 . 11 1 1 A 4 4 THR CB C 4 68.400 68.877 -0.477 1 1 49 . 11 1 1 A 4 4 THR N N 4 110.200 117.006 -6.806 1 1 50 . 11 1 1 A 5 5 PRO HA H 5 4.110 4.281 -0.171 1 1 57 . 11 1 1 A 5 5 PRO CA C 5 65.300 65.293 0.007 1 1 58 . 11 1 1 A 5 5 PRO CB C 5 31.800 31.799 0.001 1 1 61 . 11 1 1 A 6 6 ASP H H 6 8.530 8.387 0.143 1 1 62 . 11 1 1 A 6 6 ASP HA H 6 4.350 4.400 -0.050 1 1 65 . 11 1 1 A 6 6 ASP CA C 6 56.300 57.073 -0.773 1 1 66 . 11 1 1 A 6 6 ASP CB C 6 39.500 41.683 -2.183 1 1 67 . 11 1 1 A 6 6 ASP N N 6 114.600 117.140 -2.540 1 1 68 . 11 1 1 A 7 7 ILE H H 7 7.270 7.495 -0.225 1 1 69 . 11 1 1 A 7 7 ILE HA H 7 3.620 3.666 -0.046 1 1 79 . 11 1 1 A 7 7 ILE CA C 7 61.900 65.176 -3.276 1 1 80 . 11 1 1 A 7 7 ILE CB C 7 34.900 37.935 -3.035 1 1 84 . 11 1 1 A 7 7 ILE N N 7 121.700 119.278 2.422 1 1 85 . 11 1 1 A 8 8 LEU H H 8 6.960 8.215 -1.255 1 1 86 . 11 1 1 A 8 8 LEU HA H 8 3.710 3.843 -0.133 1 1 96 . 11 1 1 A 8 8 LEU CA C 8 57.800 57.977 -0.177 1 1 97 . 11 1 1 A 8 8 LEU CB C 8 39.900 41.200 -1.300 1 1 101 . 11 1 1 A 8 8 LEU N N 8 117.200 119.628 -2.428 1 1 102 . 11 1 1 A 9 9 ASP H H 9 8.220 8.608 -0.388 1 1 103 . 11 1 1 A 9 9 ASP HA H 9 4.330 4.284 0.046 1 1 106 . 11 1 1 A 9 9 ASP CA C 9 57.600 57.855 -0.255 1 1 107 . 11 1 1 A 9 9 ASP CB C 9 40.100 40.915 -0.815 1 1 108 . 11 1 1 A 9 9 ASP N N 9 117.600 119.571 -1.971 1 1 109 . 11 1 1 A 10 10 GLN H H 10 7.630 7.733 -0.103 1 1 110 . 11 1 1 A 10 10 GLN HA H 10 3.850 4.044 -0.194 1 1 117 . 11 1 1 A 10 10 GLN CA C 10 59.200 58.730 0.470 1 1 118 . 11 1 1 A 10 10 GLN CB C 10 29.300 28.210 1.090 1 1 120 . 11 1 1 A 10 10 GLN N N 10 118.700 118.196 0.504 1 1 122 . 11 1 1 A 11 11 ILE H H 11 7.590 8.172 -0.582 1 1 123 . 11 1 1 A 11 11 ILE HA H 11 2.960 3.527 -0.567 1 1 133 . 11 1 1 A 11 11 ILE CA C 11 65.800 64.727 1.073 1 1 134 . 11 1 1 A 11 11 ILE CB C 11 37.500 37.415 0.085 1 1 138 . 11 1 1 A 11 11 ILE N N 11 121.700 121.085 0.615 1 1 139 . 11 1 1 A 12 12 ARG H H 12 7.720 8.097 -0.377 1 1 140 . 11 1 1 A 12 12 ARG HA H 12 3.610 4.046 -0.436 1 1 147 . 11 1 1 A 12 12 ARG CA C 12 61.300 58.742 2.558 1 1 148 . 11 1 1 A 12 12 ARG CB C 12 30.100 29.945 0.155 1 1 151 . 11 1 1 A 12 12 ARG N N 12 118.400 120.343 -1.943 1 1 152 . 11 1 1 A 13 13 VAL H H 13 8.480 7.688 0.792 1 1 153 . 11 1 1 A 13 13 VAL HA H 13 3.640 3.579 0.061 1 1 161 . 11 1 1 A 13 13 VAL CA C 13 66.400 66.232 0.168 1 1 162 . 11 1 1 A 13 13 VAL CB C 13 31.600 31.852 -0.252 1 1 165 . 11 1 1 A 13 13 VAL N N 13 118.400 120.950 -2.550 1 1 166 . 11 1 1 A 14 14 HIS H H 14 7.790 8.617 -0.827 1 1 167 . 11 1 1 A 14 14 HIS HA H 14 4.620 4.306 0.314 1 1 172 . 11 1 1 A 14 14 HIS CA C 14 57.500 59.049 -1.549 1 1 173 . 11 1 1 A 14 14 HIS CB C 14 31.100 29.501 1.599 1 1 176 . 11 1 1 A 14 14 HIS N N 14 119.600 118.952 0.648 1 1 177 . 11 1 1 A 15 15 GLY H H 15 8.290 8.529 -0.239 1 1 178 . 11 1 1 A 15 15 GLY HA2 H 15 3.400 3.685 -0.285 1 1 179 . 11 1 1 A 15 15 GLY HA3 H 15 3.620 3.824 -0.204 1 1 180 . 11 1 1 A 15 15 GLY CA C 15 47.800 47.228 0.572 1 1 181 . 11 1 1 A 15 15 GLY N N 15 104.200 105.868 -1.668 1 1 182 . 11 1 1 A 16 16 ALA H H 16 8.650 7.551 1.099 1 1 183 . 11 1 1 A 16 16 ALA HA H 16 3.940 4.014 -0.074 1 1 187 . 11 1 1 A 16 16 ALA CA C 16 55.500 54.502 0.998 1 1 188 . 11 1 1 A 16 16 ALA CB C 16 18.600 18.163 0.437 1 1 189 . 11 1 1 A 16 16 ALA N N 16 125.700 125.136 0.564 1 1 190 . 11 1 1 A 17 17 ASP H H 17 9.020 8.259 0.761 1 1 191 . 11 1 1 A 17 17 ASP HA H 17 4.420 4.314 0.106 1 1 194 . 11 1 1 A 17 17 ASP CA C 17 56.700 56.591 0.109 1 1 195 . 11 1 1 A 17 17 ASP CB C 17 41.300 40.940 0.360 1 1 196 . 11 1 1 A 17 17 ASP N N 17 119.300 119.470 -0.170 1 1 197 . 11 1 1 A 18 18 ALA H H 18 8.210 7.522 0.688 1 1 198 . 11 1 1 A 18 18 ALA HA H 18 4.180 4.167 0.013 1 1 202 . 11 1 1 A 18 18 ALA CA C 18 53.100 54.747 -1.647 1 1 203 . 11 1 1 A 18 18 ALA CB C 18 19.000 18.999 0.001 1 1 204 . 11 1 1 A 18 18 ALA N N 18 118.300 120.277 -1.977 1 1 205 . 11 1 1 A 19 19 TYR H H 19 7.080 7.700 -0.620 1 1 206 . 11 1 1 A 19 19 TYR HA H 19 4.190 4.899 -0.709 1 1 213 . 11 1 1 A 19 19 TYR CA C 19 58.300 57.161 1.139 1 1 214 . 11 1 1 A 19 19 TYR CB C 19 39.100 38.205 0.895 1 1 217 . 11 1 1 A 19 19 TYR N N 19 118.200 117.710 0.490 1 1 218 . 11 1 1 A 20 20 PRO HA H 20 2.690 4.717 -2.027 1 1 225 . 11 1 1 A 20 20 PRO CA C 20 63.300 64.228 -0.928 1 1 226 . 11 1 1 A 20 20 PRO CB C 20 33.500 31.799 1.701 1 1 229 . 11 1 1 A 21 21 GLU H H 21 8.660 7.973 0.687 1 1 230 . 11 1 1 A 21 21 GLU HA H 21 4.420 4.223 0.197 1 1 235 . 11 1 1 A 21 21 GLU CA C 21 55.300 56.082 -0.782 1 1 236 . 11 1 1 A 21 21 GLU CB C 21 30.400 29.918 0.482 1 1 238 . 11 1 1 A 21 21 GLU N N 21 124.800 120.125 4.675 1 1 239 . 11 1 1 A 22 22 GLU H H 22 8.290 8.420 -0.130 1 1 240 . 11 1 1 A 22 22 GLU HA H 22 3.990 3.963 0.027 1 1 245 . 11 1 1 A 22 22 GLU CA C 22 56.400 55.648 0.752 1 1 246 . 11 1 1 A 22 22 GLU CB C 22 30.900 28.927 1.973 1 1 248 . 11 1 1 A 22 22 GLU N N 22 119.700 122.922 -3.222 1 1 249 . 11 1 1 A 23 23 GLY H H 23 8.770 8.413 0.357 1 1 250 . 11 1 1 A 23 23 GLY HA2 H 23 2.430 4.008 -1.578 1 1 251 . 11 1 1 A 23 23 GLY HA3 H 23 4.270 4.068 0.202 1 1 252 . 11 1 1 A 23 23 GLY CA C 23 42.900 45.772 -2.872 1 1 253 . 11 1 1 A 23 23 GLY N N 23 112.400 111.054 1.346 1 1 254 . 11 1 1 A 24 24 CYS H H 24 8.580 8.462 0.118 1 1 255 . 11 1 1 A 24 24 CYS HA H 24 4.630 4.938 -0.308 1 1 258 . 11 1 1 A 24 24 CYS CA C 24 54.900 57.260 -2.360 1 1 259 . 11 1 1 A 24 24 CYS CB C 24 31.300 29.640 1.660 1 1 260 . 11 1 1 A 24 24 CYS N N 24 118.100 121.610 -3.510 1 1 261 . 11 1 1 A 25 25 GLY H H 25 6.730 6.951 -0.221 1 1 262 . 11 1 1 A 25 25 GLY HA2 H 25 3.650 3.881 -0.231 1 1 263 . 11 1 1 A 25 25 GLY HA3 H 25 4.030 3.965 0.065 1 1 264 . 11 1 1 A 25 25 GLY CA C 25 45.900 45.843 0.057 1 1 265 . 11 1 1 A 25 25 GLY N N 25 104.600 106.549 -1.949 1 1 266 . 11 1 1 A 26 26 PHE H H 26 9.350 8.514 0.836 1 1 267 . 11 1 1 A 26 26 PHE HA H 26 5.130 5.526 -0.396 1 1 275 . 11 1 1 A 26 26 PHE CA C 26 56.900 56.527 0.373 1 1 276 . 11 1 1 A 26 26 PHE CB C 26 43.300 43.978 -0.678 1 1 280 . 11 1 1 A 26 26 PHE N N 26 114.900 118.625 -3.725 1 1 281 . 11 1 1 A 27 27 LEU H H 27 8.320 9.670 -1.350 1 1 282 . 11 1 1 A 27 27 LEU HA H 27 4.590 5.262 -0.672 1 1 292 . 11 1 1 A 27 27 LEU CA C 27 52.900 53.498 -0.598 1 1 293 . 11 1 1 A 27 27 LEU CB C 27 41.200 44.492 -3.292 1 1 297 . 11 1 1 A 27 27 LEU N N 27 119.100 121.827 -2.727 1 1 298 . 11 1 1 A 28 28 LEU H H 28 9.050 9.269 -0.219 1 1 299 . 11 1 1 A 28 28 LEU HA H 28 5.390 5.418 -0.028 1 1 309 . 11 1 1 A 28 28 LEU CA C 28 51.900 53.053 -1.153 1 1 310 . 11 1 1 A 28 28 LEU CB C 28 42.900 44.985 -2.085 1 1 314 . 11 1 1 A 28 28 LEU N N 28 123.500 124.136 -0.636 1 1 315 . 11 1 1 A 29 29 GLY H H 29 9.950 7.901 2.049 1 1 316 . 11 1 1 A 29 29 GLY HA2 H 29 5.270 4.256 1.014 1 1 317 . 11 1 1 A 29 29 GLY HA3 H 29 3.900 4.258 -0.358 1 1 318 . 11 1 1 A 29 29 GLY CA C 29 46.700 46.207 0.493 1 1 319 . 11 1 1 A 29 29 GLY N N 29 112.400 109.493 2.907 1 1 320 . 11 1 1 A 30 30 THR H H 30 8.810 8.822 -0.012 1 1 321 . 11 1 1 A 30 30 THR HA H 30 4.810 5.205 -0.395 1 1 326 . 11 1 1 A 30 30 THR CA C 30 59.900 59.231 0.669 1 1 327 . 11 1 1 A 30 30 THR CB C 30 72.200 71.605 0.595 1 1 329 . 11 1 1 A 30 30 THR N N 30 116.000 114.231 1.769 1 1 330 . 11 1 1 A 31 31 VAL H H 31 8.530 8.722 -0.192 1 1 331 . 11 1 1 A 31 31 VAL HA H 31 4.830 4.590 0.240 1 1 339 . 11 1 1 A 31 31 VAL CA C 31 61.900 61.356 0.544 1 1 340 . 11 1 1 A 31 31 VAL CB C 31 32.200 32.350 -0.150 1 1 343 . 11 1 1 A 31 31 VAL N N 31 124.200 123.873 0.327 1 1 344 . 11 1 1 A 32 32 THR H H 32 9.040 8.823 0.217 1 1 345 . 11 1 1 A 32 32 THR HA H 32 4.580 4.229 0.351 1 1 350 . 11 1 1 A 32 32 THR CA C 32 61.200 63.981 -2.781 1 1 351 . 11 1 1 A 32 32 THR CB C 32 70.700 69.372 1.328 1 1 353 . 11 1 1 A 32 32 THR N N 32 118.900 122.898 -3.998 1 1 354 . 11 1 1 A 33 33 ASP H H 33 8.980 8.995 -0.015 1 1 355 . 11 1 1 A 33 33 ASP HA H 33 4.400 4.255 0.145 1 1 358 . 11 1 1 A 33 33 ASP CA C 33 56.800 57.059 -0.259 1 1 359 . 11 1 1 A 33 33 ASP CB C 33 40.100 40.298 -0.198 1 1 360 . 11 1 1 A 33 33 ASP N N 33 121.100 126.562 -5.462 1 1 361 . 11 1 1 A 34 34 ASP H H 34 7.960 8.098 -0.138 1 1 362 . 11 1 1 A 34 34 ASP HA H 34 4.640 4.574 0.066 1 1 365 . 11 1 1 A 34 34 ASP CA C 34 53.500 54.261 -0.761 1 1 366 . 11 1 1 A 34 34 ASP CB C 34 40.400 41.094 -0.694 1 1 367 . 11 1 1 A 34 34 ASP N N 34 115.400 116.876 -1.476 1 1 368 . 11 1 1 A 35 35 GLY H H 35 8.080 8.101 -0.021 1 1 369 . 11 1 1 A 35 35 GLY HA2 H 35 3.590 3.973 -0.383 1 1 370 . 11 1 1 A 35 35 GLY HA3 H 35 4.200 3.977 0.223 1 1 371 . 11 1 1 A 35 35 GLY CA C 35 45.400 45.890 -0.490 1 1 372 . 11 1 1 A 35 35 GLY N N 35 108.400 107.296 1.104 1 1 373 . 11 1 1 A 36 36 ASP H H 36 7.690 8.052 -0.362 1 1 374 . 11 1 1 A 36 36 ASP HA H 36 4.790 4.463 0.327 1 1 377 . 11 1 1 A 36 36 ASP CA C 36 51.900 56.684 -4.784 1 1 378 . 11 1 1 A 36 36 ASP CB C 36 42.300 41.655 0.645 1 1 379 . 11 1 1 A 36 36 ASP N N 36 120.100 121.403 -1.303 1 1 380 . 11 1 1 A 37 37 ASN H H 37 8.920 7.992 0.928 1 1 381 . 11 1 1 A 37 37 ASN HA H 37 5.180 4.425 0.755 1 1 386 . 11 1 1 A 37 37 ASN CA C 37 52.900 53.873 -0.973 1 1 387 . 11 1 1 A 37 37 ASN CB C 37 38.800 37.082 1.718 1 1 388 . 11 1 1 A 37 37 ASN N N 37 119.000 116.868 2.132 1 1 390 . 11 1 1 A 38 38 ARG H H 38 9.480 8.462 1.018 1 1 391 . 11 1 1 A 38 38 ARG HA H 38 5.310 5.361 -0.051 1 1 398 . 11 1 1 A 38 38 ARG CA C 38 53.500 54.592 -1.092 1 1 399 . 11 1 1 A 38 38 ARG CB C 38 31.000 32.497 -1.497 1 1 402 . 11 1 1 A 38 38 ARG N N 38 126.900 126.474 0.426 1 1 403 . 11 1 1 A 39 39 VAL H H 39 8.810 8.951 -0.141 1 1 404 . 11 1 1 A 39 39 VAL HA H 39 4.150 4.140 0.010 1 1 412 . 11 1 1 A 39 39 VAL CA C 39 62.800 62.785 0.015 1 1 413 . 11 1 1 A 39 39 VAL CB C 39 33.100 31.782 1.318 1 1 416 . 11 1 1 A 39 39 VAL N N 39 125.700 127.661 -1.961 1 1 417 . 11 1 1 A 40 40 ALA H H 40 9.680 8.696 0.984 1 1 418 . 11 1 1 A 40 40 ALA HA H 40 4.690 4.641 0.049 1 1 422 . 11 1 1 A 40 40 ALA CA C 40 51.300 51.682 -0.382 1 1 423 . 11 1 1 A 40 40 ALA CB C 40 22.700 20.828 1.872 1 1 424 . 11 1 1 A 40 40 ALA N N 40 102.300 128.836 -26.536 1 1 425 . 11 1 1 A 41 41 ALA H H 41 8.370 7.819 0.551 1 1 426 . 11 1 1 A 41 41 ALA HA H 41 4.530 4.940 -0.410 1 1 430 . 11 1 1 A 41 41 ALA CA C 41 51.700 51.158 0.542 1 1 431 . 11 1 1 A 41 41 ALA CB C 41 22.200 23.159 -0.959 1 1 432 . 11 1 1 A 41 41 ALA N N 41 120.200 119.049 1.151 1 1 433 . 11 1 1 A 42 42 LEU H H 42 8.690 8.709 -0.019 1 1 434 . 11 1 1 A 42 42 LEU HA H 42 5.320 5.193 0.127 1 1 444 . 11 1 1 A 42 42 LEU CA C 42 53.500 53.475 0.025 1 1 445 . 11 1 1 A 42 42 LEU CB C 42 46.300 44.910 1.390 1 1 449 . 11 1 1 A 42 42 LEU N N 42 118.300 121.015 -2.715 1 1 450 . 11 1 1 A 43 43 HIS H H 43 8.820 8.764 0.056 1 1 451 . 11 1 1 A 43 43 HIS HA H 43 4.870 5.280 -0.410 1 1 456 . 11 1 1 A 43 43 HIS CA C 43 56.300 54.289 2.011 1 1 457 . 11 1 1 A 43 43 HIS CB C 43 34.200 33.183 1.017 1 1 460 . 11 1 1 A 43 43 HIS N N 43 120.700 123.884 -3.184 1 1 461 . 11 1 1 A 44 44 ARG H H 44 8.580 8.584 -0.004 1 1 462 . 11 1 1 A 44 44 ARG HA H 44 4.420 4.239 0.181 1 1 469 . 11 1 1 A 44 44 ARG CA C 44 57.400 55.935 1.465 1 1 470 . 11 1 1 A 44 44 ARG CB C 44 31.100 30.865 0.235 1 1 473 . 11 1 1 A 44 44 ARG N N 44 128.300 123.817 4.483 1 1 474 . 11 1 1 A 45 45 ALA H H 45 8.580 8.417 0.163 1 1 475 . 11 1 1 A 45 45 ALA HA H 45 4.720 4.357 0.363 1 1 479 . 11 1 1 A 45 45 ALA CA C 45 51.500 52.711 -1.211 1 1 480 . 11 1 1 A 45 45 ALA CB C 45 20.200 19.217 0.983 1 1 481 . 11 1 1 A 45 45 ALA N N 45 125.700 124.123 1.577 1 1 482 . 11 1 1 A 46 46 THR H H 46 8.250 9.588 -1.338 1 1 483 . 11 1 1 A 46 46 THR HA H 46 4.270 4.429 -0.159 1 1 488 . 11 1 1 A 46 46 THR CA C 46 62.000 62.762 -0.762 1 1 489 . 11 1 1 A 46 46 THR CB C 46 69.900 68.963 0.937 1 1 491 . 11 1 1 A 46 46 THR N N 46 115.500 119.025 -3.525 1 1 492 . 11 1 1 A 47 47 ASN H H 47 8.590 8.098 0.492 1 1 493 . 11 1 1 A 47 47 ASN HA H 47 4.620 4.630 -0.010 1 1 498 . 11 1 1 A 47 47 ASN CA C 47 53.400 55.284 -1.884 1 1 499 . 11 1 1 A 47 47 ASN CB C 47 38.400 37.105 1.295 1 1 500 . 11 1 1 A 47 47 ASN N N 47 122.400 118.730 3.670 1 1 502 . 11 1 1 A 50 50 SER H H 50 8.480 8.664 -0.184 1 1 503 . 11 1 1 A 50 50 SER HA H 50 4.400 4.934 -0.534 1 1 506 . 11 1 1 A 50 50 SER CA C 50 58.900 57.250 1.650 1 1 507 . 11 1 1 A 50 50 SER CB C 50 63.600 66.342 -2.742 1 1 508 . 11 1 1 A 50 50 SER N N 50 116.600 121.012 -4.412 1 1 509 . 11 1 1 A 51 51 GLU H H 51 8.510 8.689 -0.179 1 1 510 . 11 1 1 A 51 51 GLU HA H 51 4.300 4.139 0.161 1 1 515 . 11 1 1 A 51 51 GLU CA C 51 56.800 59.519 -2.719 1 1 516 . 11 1 1 A 51 51 GLU CB C 51 29.900 29.366 0.534 1 1 518 . 11 1 1 A 51 51 GLU N N 51 121.800 125.117 -3.317 1 1 519 . 11 1 1 A 52 52 GLN H H 52 8.300 8.137 0.163 1 1 520 . 11 1 1 A 52 52 GLN HA H 52 4.310 4.347 -0.037 1 1 527 . 11 1 1 A 52 52 GLN CA C 52 55.900 56.440 -0.540 1 1 528 . 11 1 1 A 52 52 GLN CB C 52 29.000 28.365 0.635 1 1 530 . 11 1 1 A 52 52 GLN N N 52 119.500 119.141 0.359 1 1 532 . 11 1 1 A 53 53 ARG H H 53 8.350 8.880 -0.530 1 1 533 . 11 1 1 A 53 53 ARG HA H 53 4.310 3.796 0.514 1 1 540 . 11 1 1 A 53 53 ARG CA C 53 56.800 56.970 -0.170 1 1 541 . 11 1 1 A 53 53 ARG CB C 53 30.700 27.112 3.588 1 1 544 . 11 1 1 A 53 53 ARG N N 53 121.000 119.958 1.042 1 1 545 . 11 1 1 A 54 54 THR H H 54 8.140 7.791 0.349 1 1 546 . 11 1 1 A 54 54 THR HA H 54 4.340 4.523 -0.183 1 1 551 . 11 1 1 A 54 54 THR CA C 54 61.900 61.466 0.434 1 1 552 . 11 1 1 A 54 54 THR CB C 54 69.600 68.883 0.717 1 1 554 . 11 1 1 A 54 54 THR N N 54 113.100 112.565 0.535 1 1 555 . 11 1 1 A 64 64 TYR H H 64 8.220 8.132 0.088 1 1 556 . 11 1 1 A 64 64 TYR HA H 64 3.360 3.619 -0.259 1 1 563 . 11 1 1 A 64 64 TYR CA C 64 61.600 61.354 0.246 1 1 564 . 11 1 1 A 64 64 TYR CB C 64 37.700 38.482 -0.782 1 1 567 . 11 1 1 A 64 64 TYR N N 64 120.700 125.609 -4.909 1 1 568 . 11 1 1 A 65 65 ARG H H 65 8.340 8.213 0.127 1 1 569 . 11 1 1 A 65 65 ARG HA H 65 3.930 3.816 0.114 1 1 576 . 11 1 1 A 65 65 ARG CA C 65 59.600 59.637 -0.037 1 1 577 . 11 1 1 A 65 65 ARG CB C 65 30.100 30.227 -0.127 1 1 580 . 11 1 1 A 65 65 ARG N N 65 119.200 118.522 0.678 1 1 581 . 11 1 1 A 66 66 ALA H H 66 7.790 7.661 0.129 1 1 582 . 11 1 1 A 66 66 ALA HA H 66 4.090 4.014 0.076 1 1 586 . 11 1 1 A 66 66 ALA CA C 66 54.700 54.690 0.010 1 1 587 . 11 1 1 A 66 66 ALA CB C 66 18.100 18.242 -0.142 1 1 588 . 11 1 1 A 66 66 ALA N N 66 121.900 121.561 0.339 1 1 589 . 11 1 1 A 67 67 ALA H H 67 7.550 7.508 0.042 1 1 590 . 11 1 1 A 67 67 ALA HA H 67 2.940 3.353 -0.413 1 1 594 . 11 1 1 A 67 67 ALA CA C 67 54.300 54.609 -0.309 1 1 595 . 11 1 1 A 67 67 ALA CB C 67 18.000 17.587 0.413 1 1 596 . 11 1 1 A 67 67 ALA N N 67 123.000 119.440 3.560 1 1 597 . 11 1 1 A 68 68 ASP H H 68 8.320 8.194 0.126 1 1 598 . 11 1 1 A 68 68 ASP HA H 68 4.100 4.017 0.083 1 1 601 . 11 1 1 A 68 68 ASP CA C 68 56.800 56.795 0.005 1 1 602 . 11 1 1 A 68 68 ASP CB C 68 41.400 40.769 0.631 1 1 603 . 11 1 1 A 68 68 ASP N N 68 118.100 117.704 0.396 1 1 604 . 11 1 1 A 69 69 ALA H H 69 7.790 8.167 -0.377 1 1 605 . 11 1 1 A 69 69 ALA HA H 69 4.010 3.990 0.020 1 1 609 . 11 1 1 A 69 69 ALA CA C 69 55.000 55.083 -0.083 1 1 610 . 11 1 1 A 69 69 ALA CB C 69 17.600 18.167 -0.567 1 1 611 . 11 1 1 A 69 69 ALA N N 69 121.200 120.667 0.533 1 1 612 . 11 1 1 A 70 70 ALA H H 70 7.490 7.842 -0.352 1 1 613 . 11 1 1 A 70 70 ALA HA H 70 4.070 4.460 -0.390 1 1 617 . 11 1 1 A 70 70 ALA CA C 70 54.500 54.825 -0.325 1 1 618 . 11 1 1 A 70 70 ALA CB C 70 17.900 18.405 -0.505 1 1 619 . 11 1 1 A 70 70 ALA N N 70 121.200 119.850 1.350 1 1 620 . 11 1 1 A 71 71 ALA H H 71 8.620 7.906 0.714 1 1 621 . 11 1 1 A 71 71 ALA HA H 71 3.660 3.973 -0.313 1 1 625 . 11 1 1 A 71 71 ALA CA C 71 55.300 55.285 0.015 1 1 626 . 11 1 1 A 71 71 ALA CB C 71 17.800 18.118 -0.318 1 1 627 . 11 1 1 A 71 71 ALA N N 71 121.600 120.442 1.158 1 1 628 . 11 1 1 A 72 72 GLN H H 72 8.700 8.496 0.204 1 1 629 . 11 1 1 A 72 72 GLN HA H 72 4.080 4.005 0.075 1 1 636 . 11 1 1 A 72 72 GLN CA C 72 59.000 58.814 0.186 1 1 637 . 11 1 1 A 72 72 GLN CB C 72 28.000 28.545 -0.545 1 1 639 . 11 1 1 A 72 72 GLN N N 72 118.600 117.108 1.492 1 1 641 . 11 1 1 A 73 73 GLU H H 73 7.640 8.519 -0.879 1 1 642 . 11 1 1 A 73 73 GLU HA H 73 4.080 4.065 0.015 1 1 647 . 11 1 1 A 73 73 GLU CA C 73 58.800 59.141 -0.341 1 1 648 . 11 1 1 A 73 73 GLU CB C 73 29.600 29.390 0.210 1 1 650 . 11 1 1 A 73 73 GLU N N 73 119.000 120.674 -1.674 1 1 651 . 11 1 1 A 74 74 GLN H H 74 7.400 7.757 -0.357 1 1 652 . 11 1 1 A 74 74 GLN HA H 74 4.470 4.363 0.107 1 1 659 . 11 1 1 A 74 74 GLN CA C 74 55.000 55.317 -0.317 1 1 660 . 11 1 1 A 74 74 GLN CB C 74 30.900 29.343 1.557 1 1 662 . 11 1 1 A 74 74 GLN N N 74 114.600 116.506 -1.906 1 1 664 . 11 1 1 A 75 75 GLY H H 75 7.830 8.222 -0.392 1 1 665 . 11 1 1 A 75 75 GLY HA2 H 75 3.950 3.952 -0.002 1 1 666 . 11 1 1 A 75 75 GLY HA3 H 75 3.870 3.957 -0.087 1 1 667 . 11 1 1 A 75 75 GLY CA C 75 46.500 46.499 0.001 1 1 668 . 11 1 1 A 75 75 GLY N N 75 109.300 109.228 0.072 1 1 669 . 11 1 1 A 76 76 LEU H H 76 8.110 8.235 -0.125 1 1 670 . 11 1 1 A 76 76 LEU HA H 76 4.650 4.953 -0.303 1 1 680 . 11 1 1 A 76 76 LEU CA C 76 52.500 53.091 -0.591 1 1 681 . 11 1 1 A 76 76 LEU CB C 76 45.700 45.562 0.138 1 1 685 . 11 1 1 A 76 76 LEU N N 76 119.300 119.731 -0.431 1 1 686 . 11 1 1 A 77 77 ASP H H 77 8.990 8.586 0.404 1 1 687 . 11 1 1 A 77 77 ASP HA H 77 5.120 5.189 -0.069 1 1 690 . 11 1 1 A 77 77 ASP CA C 77 52.600 52.283 0.317 1 1 691 . 11 1 1 A 77 77 ASP CB C 77 44.600 43.914 0.686 1 1 692 . 11 1 1 A 77 77 ASP N N 77 117.600 118.133 -0.533 1 1 693 . 11 1 1 A 78 78 VAL H H 78 9.070 8.987 0.083 1 1 694 . 11 1 1 A 78 78 VAL HA H 78 4.090 4.202 -0.112 1 1 702 . 11 1 1 A 78 78 VAL CA C 78 63.900 63.078 0.822 1 1 703 . 11 1 1 A 78 78 VAL CB C 78 30.900 30.952 -0.052 1 1 706 . 11 1 1 A 78 78 VAL N N 78 121.900 120.714 1.186 1 1 707 . 11 1 1 A 79 79 VAL H H 79 8.360 8.623 -0.263 1 1 708 . 11 1 1 A 79 79 VAL HA H 79 4.300 4.285 0.015 1 1 716 . 11 1 1 A 79 79 VAL CA C 79 59.500 62.109 -2.609 1 1 717 . 11 1 1 A 79 79 VAL CB C 79 32.600 32.408 0.192 1 1 720 . 11 1 1 A 79 79 VAL N N 79 116.700 122.642 -5.942 1 1 721 . 11 1 1 A 80 80 GLY H H 80 6.970 7.361 -0.391 1 1 722 . 11 1 1 A 80 80 GLY HA2 H 80 4.380 4.119 0.261 1 1 723 . 11 1 1 A 80 80 GLY HA3 H 80 3.550 4.182 -0.632 1 1 724 . 11 1 1 A 80 80 GLY CA C 80 46.900 45.683 1.217 1 1 725 . 11 1 1 A 80 80 GLY N N 80 106.200 109.182 -2.982 1 1 726 . 11 1 1 A 81 81 VAL H H 81 8.510 8.651 -0.141 1 1 727 . 11 1 1 A 81 81 VAL HA H 81 4.900 5.031 -0.131 1 1 735 . 11 1 1 A 81 81 VAL CA C 81 59.400 60.474 -1.074 1 1 736 . 11 1 1 A 81 81 VAL CB C 81 37.600 35.832 1.768 1 1 739 . 11 1 1 A 81 81 VAL N N 81 116.200 119.604 -3.404 1 1 740 . 11 1 1 A 82 82 TYR H H 82 8.370 8.141 0.229 1 1 741 . 11 1 1 A 82 82 TYR HA H 82 6.000 6.064 -0.064 1 1 748 . 11 1 1 A 82 82 TYR CA C 82 54.900 55.296 -0.396 1 1 749 . 11 1 1 A 82 82 TYR CB C 82 42.800 42.107 0.693 1 1 752 . 11 1 1 A 82 82 TYR N N 82 118.100 121.132 -3.032 1 1 753 . 11 1 1 A 83 83 HIS H H 83 8.520 9.197 -0.677 1 1 754 . 11 1 1 A 83 83 HIS HA H 83 5.150 5.041 0.109 1 1 759 . 11 1 1 A 83 83 HIS CA C 83 54.900 53.867 1.033 1 1 760 . 11 1 1 A 83 83 HIS CB C 83 33.200 32.906 0.294 1 1 763 . 11 1 1 A 83 83 HIS N N 83 115.400 120.097 -4.697 1 1 764 . 11 1 1 A 84 84 SER H H 84 9.060 8.824 0.236 1 1 765 . 11 1 1 A 84 84 SER HA H 84 5.590 5.220 0.370 1 1 768 . 11 1 1 A 84 84 SER CA C 84 55.800 57.896 -2.096 1 1 769 . 11 1 1 A 84 84 SER CB C 84 65.500 64.735 0.765 1 1 770 . 11 1 1 A 84 84 SER N N 84 117.100 119.716 -2.616 1 1 771 . 11 1 1 A 85 85 HIS H H 85 8.980 9.156 -0.176 1 1 772 . 11 1 1 A 85 85 HIS HA H 85 4.830 5.039 -0.209 1 1 777 . 11 1 1 A 85 85 HIS CA C 85 50.400 53.759 -3.359 1 1 778 . 11 1 1 A 85 85 HIS CB C 85 32.000 32.822 -0.822 1 1 781 . 11 1 1 A 85 85 HIS N N 85 117.600 123.622 -6.022 1 1 782 . 11 1 1 A 86 86 PRO HA H 86 5.080 5.087 -0.007 1 1 789 . 11 1 1 A 86 86 PRO CA C 86 62.400 63.273 -0.873 1 1 790 . 11 1 1 A 86 86 PRO CB C 86 32.400 32.022 0.378 1 1 793 . 11 1 1 A 87 87 ASP H H 87 10.300 9.074 1.226 1 1 794 . 11 1 1 A 87 87 ASP HA H 87 4.320 4.209 0.111 1 1 797 . 11 1 1 A 87 87 ASP CA C 87 56.600 54.849 1.751 1 1 798 . 11 1 1 A 87 87 ASP CB C 87 39.600 39.409 0.191 1 1 799 . 11 1 1 A 87 87 ASP N N 87 123.100 122.467 0.633 1 1 800 . 11 1 1 A 88 88 HIS H H 88 7.500 7.573 -0.073 1 1 801 . 11 1 1 A 88 88 HIS HA H 88 5.050 5.005 0.045 1 1 806 . 11 1 1 A 88 88 HIS CA C 88 54.700 54.086 0.614 1 1 807 . 11 1 1 A 88 88 HIS CB C 88 32.400 33.808 -1.408 1 1 810 . 11 1 1 A 88 88 HIS N N 88 115.000 118.242 -3.242 1 1 811 . 11 1 1 A 89 89 PRO HA H 89 4.370 4.467 -0.097 1 1 818 . 11 1 1 A 89 89 PRO CA C 89 62.700 63.574 -0.874 1 1 819 . 11 1 1 A 89 89 PRO CB C 89 31.600 32.136 -0.536 1 1 822 . 11 1 1 A 90 90 ALA H H 90 8.020 8.019 0.001 1 1 823 . 11 1 1 A 90 90 ALA HA H 90 4.290 4.076 0.214 1 1 827 . 11 1 1 A 90 90 ALA CA C 90 50.800 52.950 -2.150 1 1 828 . 11 1 1 A 90 90 ALA CB C 90 16.600 17.662 -1.062 1 1 829 . 11 1 1 A 90 90 ALA N N 90 125.800 120.748 5.052 1 1 830 . 11 1 1 A 91 91 ARG H H 91 7.990 7.573 0.417 1 1 831 . 11 1 1 A 91 91 ARG HA H 91 4.300 4.780 -0.480 1 1 838 . 11 1 1 A 91 91 ARG CA C 91 53.100 54.117 -1.017 1 1 839 . 11 1 1 A 91 91 ARG CB C 91 31.800 32.666 -0.866 1 1 842 . 11 1 1 A 91 91 ARG N N 91 121.900 112.499 9.401 1 1 843 . 11 1 1 A 92 92 PRO HA H 92 4.070 4.253 -0.183 1 1 850 . 11 1 1 A 92 92 PRO CA C 92 62.300 62.325 -0.025 1 1 851 . 11 1 1 A 92 92 PRO CB C 92 32.500 31.332 1.168 1 1 854 . 11 1 1 A 93 93 SER H H 93 9.960 8.238 1.722 1 1 855 . 11 1 1 A 93 93 SER HA H 93 4.630 4.641 -0.011 1 1 858 . 11 1 1 A 93 93 SER CA C 93 56.300 57.775 -1.475 1 1 859 . 11 1 1 A 93 93 SER CB C 93 66.500 64.399 2.101 1 1 860 . 11 1 1 A 93 93 SER N N 93 121.800 117.370 4.430 1 1 861 . 11 1 1 A 94 94 ALA H H 94 8.880 8.958 -0.078 1 1 862 . 11 1 1 A 94 94 ALA HA H 94 4.130 3.993 0.137 1 1 866 . 11 1 1 A 94 94 ALA CA C 94 55.400 55.703 -0.303 1 1 867 . 11 1 1 A 94 94 ALA CB C 94 18.000 18.034 -0.034 1 1 868 . 11 1 1 A 94 94 ALA N N 94 123.100 125.571 -2.471 1 1 869 . 11 1 1 A 95 95 THR H H 95 7.870 7.763 0.107 1 1 870 . 11 1 1 A 95 95 THR HA H 95 3.920 4.334 -0.414 1 1 875 . 11 1 1 A 95 95 THR CA C 95 65.700 66.401 -0.701 1 1 876 . 11 1 1 A 95 95 THR CB C 95 68.400 68.588 -0.188 1 1 878 . 11 1 1 A 95 95 THR N N 95 114.300 113.108 1.192 1 1 879 . 11 1 1 A 96 96 ASP H H 96 7.420 8.116 -0.696 1 1 880 . 11 1 1 A 96 96 ASP HA H 96 4.230 4.222 0.008 1 1 883 . 11 1 1 A 96 96 ASP CA C 96 57.400 57.166 0.234 1 1 884 . 11 1 1 A 96 96 ASP CB C 96 40.100 42.186 -2.086 1 1 885 . 11 1 1 A 96 96 ASP N N 96 121.000 121.267 -0.267 1 1 886 . 11 1 1 A 97 97 LEU H H 97 7.490 8.039 -0.549 1 1 887 . 11 1 1 A 97 97 LEU HA H 97 4.000 4.164 -0.164 1 1 897 . 11 1 1 A 97 97 LEU CA C 97 57.600 57.914 -0.314 1 1 898 . 11 1 1 A 97 97 LEU CB C 97 41.400 41.472 -0.072 1 1 902 . 11 1 1 A 97 97 LEU N N 97 118.900 120.389 -1.489 1 1 903 . 11 1 1 A 98 98 GLU H H 98 7.690 8.021 -0.331 1 1 904 . 11 1 1 A 98 98 GLU HA H 98 3.900 3.887 0.013 1 1 909 . 11 1 1 A 98 98 GLU CA C 98 58.700 60.019 -1.319 1 1 910 . 11 1 1 A 98 98 GLU CB C 98 29.600 29.428 0.172 1 1 912 . 11 1 1 A 98 98 GLU N N 98 119.100 118.752 0.348 1 1 913 . 11 1 1 A 99 99 GLU H H 99 7.500 8.110 -0.610 1 1 914 . 11 1 1 A 99 99 GLU HA H 99 4.200 4.247 -0.047 1 1 919 . 11 1 1 A 99 99 GLU CA C 99 56.100 57.879 -1.779 1 1 920 . 11 1 1 A 99 99 GLU CB C 99 30.000 29.630 0.370 1 1 922 . 11 1 1 A 99 99 GLU N N 99 114.300 118.905 -4.605 1 1 923 . 11 1 1 A 100 100 ALA H H 100 7.400 7.339 0.061 1 1 924 . 11 1 1 A 100 100 ALA HA H 100 4.620 4.051 0.569 1 1 928 . 11 1 1 A 100 100 ALA CA C 100 52.000 51.575 0.425 1 1 929 . 11 1 1 A 100 100 ALA CB C 100 18.100 17.991 0.109 1 1 930 . 11 1 1 A 100 100 ALA N N 100 125.900 123.418 2.482 1 1 931 . 11 1 1 A 101 101 THR H H 101 7.790 8.556 -0.766 1 1 932 . 11 1 1 A 101 101 THR HA H 101 4.050 4.713 -0.663 1 1 937 . 11 1 1 A 101 101 THR CA C 101 61.200 61.569 -0.369 1 1 938 . 11 1 1 A 101 101 THR CB C 101 68.900 69.314 -0.414 1 1 940 . 11 1 1 A 101 101 THR N N 101 111.700 118.234 -6.534 1 1 941 . 11 1 1 A 102 102 PHE H H 102 7.320 7.371 -0.051 1 1 942 . 11 1 1 A 102 102 PHE HA H 102 4.750 5.060 -0.310 1 1 950 . 11 1 1 A 102 102 PHE CA C 102 54.300 54.641 -0.341 1 1 951 . 11 1 1 A 102 102 PHE CB C 102 38.200 39.290 -1.090 1 1 955 . 11 1 1 A 102 102 PHE N N 102 120.200 118.613 1.587 1 1 956 . 11 1 1 A 103 103 PRO HA H 103 4.480 4.438 0.042 1 1 963 . 11 1 1 A 103 103 PRO CA C 103 64.100 63.756 0.344 1 1 964 . 11 1 1 A 103 103 PRO CB C 103 32.000 32.294 -0.294 1 1 967 . 11 1 1 A 104 104 GLY H H 104 8.920 8.984 -0.064 1 1 968 . 11 1 1 A 104 104 GLY HA2 H 104 4.270 3.837 0.433 1 1 969 . 11 1 1 A 104 104 GLY HA3 H 104 4.160 3.855 0.305 1 1 970 . 11 1 1 A 104 104 GLY CA C 104 45.600 45.111 0.489 1 1 971 . 11 1 1 A 104 104 GLY N N 104 109.600 111.588 -1.988 1 1 972 . 11 1 1 A 105 105 PHE H H 105 7.250 8.094 -0.844 1 1 973 . 11 1 1 A 105 105 PHE HA H 105 4.930 4.600 0.330 1 1 981 . 11 1 1 A 105 105 PHE CA C 105 54.900 57.426 -2.526 1 1 982 . 11 1 1 A 105 105 PHE CB C 105 39.400 41.145 -1.745 1 1 986 . 11 1 1 A 105 105 PHE N N 105 120.100 119.591 0.509 1 1 987 . 11 1 1 A 106 106 THR H H 106 8.110 8.689 -0.579 1 1 988 . 11 1 1 A 106 106 THR HA H 106 4.840 4.685 0.155 1 1 993 . 11 1 1 A 106 106 THR CA C 106 64.400 62.200 2.200 1 1 994 . 11 1 1 A 106 106 THR CB C 106 70.500 69.681 0.819 1 1 996 . 11 1 1 A 106 106 THR N N 106 118.600 117.719 0.881 1 1 997 . 11 1 1 A 107 107 TYR H H 107 9.660 8.923 0.737 1 1 998 . 11 1 1 A 107 107 TYR HA H 107 5.150 5.786 -0.636 1 1 1005 . 11 1 1 A 107 107 TYR CA C 107 56.900 57.401 -0.501 1 1 1006 . 11 1 1 A 107 107 TYR CB C 107 38.900 39.986 -1.086 1 1 1009 . 11 1 1 A 107 107 TYR N N 107 126.600 127.027 -0.427 1 1 1010 . 11 1 1 A 108 108 VAL H H 108 9.270 9.344 -0.074 1 1 1011 . 11 1 1 A 108 108 VAL HA H 108 5.220 5.003 0.217 1 1 1019 . 11 1 1 A 108 108 VAL CA C 108 60.800 61.758 -0.958 1 1 1020 . 11 1 1 A 108 108 VAL CB C 108 33.500 33.296 0.204 1 1 1023 . 11 1 1 A 108 108 VAL N N 108 124.400 123.470 0.930 1 1 1024 . 11 1 1 A 109 109 ILE H H 109 9.300 9.900 -0.600 1 1 1025 . 11 1 1 A 109 109 ILE HA H 109 5.150 5.227 -0.077 1 1 1035 . 11 1 1 A 109 109 ILE CA C 109 58.000 59.389 -1.389 1 1 1036 . 11 1 1 A 109 109 ILE CB C 109 39.600 39.919 -0.319 1 1 1040 . 11 1 1 A 109 109 ILE N N 109 128.500 128.294 0.206 1 1 1041 . 11 1 1 A 110 110 VAL H H 110 7.910 9.223 -1.313 1 1 1042 . 11 1 1 A 110 110 VAL HA H 110 5.650 5.096 0.554 1 1 1050 . 11 1 1 A 110 110 VAL CA C 110 56.800 59.603 -2.803 1 1 1051 . 11 1 1 A 110 110 VAL CB C 110 35.400 34.389 1.011 1 1 1054 . 11 1 1 A 110 110 VAL N N 110 122.600 129.173 -6.573 1 1 1055 . 11 1 1 A 111 111 SER H H 111 9.390 8.694 0.696 1 1 1056 . 11 1 1 A 111 111 SER HA H 111 4.850 5.173 -0.323 1 1 1059 . 11 1 1 A 111 111 SER CA C 111 57.700 56.769 0.931 1 1 1060 . 11 1 1 A 111 111 SER CB C 111 64.500 64.193 0.307 1 1 1061 . 11 1 1 A 111 111 SER N N 111 124.700 124.374 0.326 1 1 1062 . 11 1 1 A 112 112 VAL H H 112 7.850 9.241 -1.391 1 1 1063 . 11 1 1 A 112 112 VAL HA H 112 4.530 4.766 -0.236 1 1 1071 . 11 1 1 A 112 112 VAL CA C 112 61.000 60.962 0.038 1 1 1072 . 11 1 1 A 112 112 VAL CB C 112 33.800 33.189 0.611 1 1 1075 . 11 1 1 A 112 112 VAL N N 112 126.100 128.317 -2.217 1 1 1076 . 11 1 1 A 113 113 ARG H H 113 8.620 9.235 -0.615 1 1 1077 . 11 1 1 A 113 113 ARG HA H 113 5.020 4.663 0.357 1 1 1084 . 11 1 1 A 113 113 ARG CA C 113 54.100 54.373 -0.273 1 1 1085 . 11 1 1 A 113 113 ARG CB C 113 31.500 29.837 1.663 1 1 1088 . 11 1 1 A 113 113 ARG N N 113 128.800 127.432 1.368 1 1 1089 . 11 1 1 A 114 114 ASP H H 114 9.650 9.220 0.430 1 1 1090 . 11 1 1 A 114 114 ASP HA H 114 4.370 4.375 -0.005 1 1 1093 . 11 1 1 A 114 114 ASP CA C 114 55.100 55.029 0.071 1 1 1094 . 11 1 1 A 114 114 ASP CB C 114 39.800 39.797 0.003 1 1 1095 . 11 1 1 A 114 114 ASP N N 114 128.100 123.114 4.986 1 1 1096 . 11 1 1 A 115 115 GLY H H 115 8.350 8.465 -0.115 1 1 1097 . 11 1 1 A 115 115 GLY HA2 H 115 3.980 3.822 0.158 1 1 1098 . 11 1 1 A 115 115 GLY HA3 H 115 2.460 3.831 -1.371 1 1 1099 . 11 1 1 A 115 115 GLY CA C 115 45.500 45.218 0.282 1 1 1100 . 11 1 1 A 115 115 GLY N N 115 109.900 106.747 3.153 1 1 1101 . 11 1 1 A 116 116 ALA H H 116 7.610 7.735 -0.125 1 1 1102 . 11 1 1 A 116 116 ALA HA H 116 4.920 4.468 0.452 1 1 1106 . 11 1 1 A 116 116 ALA CA C 116 48.200 49.093 -0.893 1 1 1107 . 11 1 1 A 116 116 ALA CB C 116 19.600 19.762 -0.162 1 1 1108 . 11 1 1 A 116 116 ALA N N 116 123.900 124.191 -0.291 1 1 1109 . 11 1 1 A 117 117 PRO HA H 117 4.670 4.697 -0.027 1 1 1116 . 11 1 1 A 117 117 PRO CA C 117 62.900 62.584 0.316 1 1 1117 . 11 1 1 A 117 117 PRO CB C 117 31.500 31.776 -0.276 1 1 1120 . 11 1 1 A 118 118 GLU H H 118 8.900 9.446 -0.546 1 1 1121 . 11 1 1 A 118 118 GLU HA H 118 4.540 4.291 0.249 1 1 1126 . 11 1 1 A 118 118 GLU CA C 118 56.200 58.809 -2.609 1 1 1127 . 11 1 1 A 118 118 GLU CB C 118 30.500 30.576 -0.076 1 1 1129 . 11 1 1 A 118 118 GLU N N 118 127.400 123.836 3.564 1 1 1130 . 11 1 1 A 119 119 ALA H H 119 8.060 7.674 0.386 1 1 1131 . 11 1 1 A 119 119 ALA HA H 119 4.460 4.693 -0.233 1 1 1135 . 11 1 1 A 119 119 ALA CA C 119 52.600 51.494 1.106 1 1 1136 . 11 1 1 A 119 119 ALA CB C 119 21.000 23.150 -2.150 1 1 1137 . 11 1 1 A 119 119 ALA N N 119 123.500 119.224 4.276 1 1 1138 . 11 1 1 A 120 120 LEU H H 120 8.170 8.616 -0.446 1 1 1139 . 11 1 1 A 120 120 LEU HA H 120 5.400 5.120 0.280 1 1 1149 . 11 1 1 A 120 120 LEU CA C 120 55.000 53.648 1.352 1 1 1150 . 11 1 1 A 120 120 LEU CB C 120 45.300 43.467 1.833 1 1 1154 . 11 1 1 A 120 120 LEU N N 120 123.500 120.143 3.357 1 1 1155 . 11 1 1 A 121 121 THR H H 121 9.450 9.324 0.126 1 1 1156 . 11 1 1 A 121 121 THR HA H 121 4.520 5.329 -0.809 1 1 1161 . 11 1 1 A 121 121 THR CA C 121 58.700 60.185 -1.485 1 1 1162 . 11 1 1 A 121 121 THR CB C 121 72.100 71.243 0.857 1 1 1164 . 11 1 1 A 121 121 THR N N 121 117.400 116.596 0.804 1 1 1165 . 11 1 1 A 122 122 ALA H H 122 8.620 8.797 -0.177 1 1 1166 . 11 1 1 A 122 122 ALA HA H 122 5.370 5.570 -0.200 1 1 1170 . 11 1 1 A 122 122 ALA CA C 122 50.400 49.772 0.628 1 1 1171 . 11 1 1 A 122 122 ALA CB C 122 21.900 22.160 -0.260 1 1 1172 . 11 1 1 A 122 122 ALA N N 122 123.400 125.658 -2.258 1 1 1173 . 11 1 1 A 123 123 TRP H H 123 8.740 9.568 -0.828 1 1 1174 . 11 1 1 A 123 123 TRP HA H 123 5.090 5.569 -0.479 1 1 1183 . 11 1 1 A 123 123 TRP CA C 123 56.700 56.573 0.127 1 1 1184 . 11 1 1 A 123 123 TRP CB C 123 33.300 33.575 -0.275 1 1 1190 . 11 1 1 A 123 123 TRP N N 123 118.700 121.180 -2.480 1 1 1192 . 11 1 1 A 124 124 ALA H H 124 9.570 9.352 0.218 1 1 1193 . 11 1 1 A 124 124 ALA HA H 124 5.360 5.387 -0.027 1 1 1197 . 11 1 1 A 124 124 ALA CA C 124 50.300 50.413 -0.113 1 1 1198 . 11 1 1 A 124 124 ALA CB C 124 22.600 20.637 1.963 1 1 1199 . 11 1 1 A 124 124 ALA N N 124 123.200 126.055 -2.855 1 1 1200 . 11 1 1 A 125 125 LEU H H 125 9.830 8.871 0.959 1 1 1201 . 11 1 1 A 125 125 LEU HA H 125 4.190 4.286 -0.096 1 1 1211 . 11 1 1 A 125 125 LEU CA C 125 54.700 54.503 0.197 1 1 1212 . 11 1 1 A 125 125 LEU CB C 125 44.000 43.402 0.598 1 1 1216 . 11 1 1 A 125 125 LEU N N 125 125.000 125.689 -0.689 1 1 1217 . 11 1 1 A 126 126 ALA H H 126 8.310 8.505 -0.195 1 1 1218 . 11 1 1 A 126 126 ALA HA H 126 4.460 4.418 0.042 1 1 1222 . 11 1 1 A 126 126 ALA CA C 126 51.100 50.752 0.348 1 1 1223 . 11 1 1 A 126 126 ALA CB C 126 18.300 18.398 -0.098 1 1 1224 . 11 1 1 A 126 126 ALA N N 126 127.000 129.413 -2.413 1 1 1225 . 11 1 1 A 127 127 PRO HA H 127 4.340 4.344 -0.004 1 1 1232 . 11 1 1 A 127 127 PRO CA C 127 65.400 65.341 0.059 1 1 1233 . 11 1 1 A 127 127 PRO CB C 127 31.800 31.709 0.091 1 1 1236 . 11 1 1 A 128 128 ASP H H 128 7.680 7.526 0.154 1 1 1237 . 11 1 1 A 128 128 ASP HA H 128 4.550 4.696 -0.146 1 1 1240 . 11 1 1 A 128 128 ASP CA C 128 52.900 53.611 -0.711 1 1 1241 . 11 1 1 A 128 128 ASP CB C 128 39.600 41.075 -1.475 1 1 1242 . 11 1 1 A 128 128 ASP N N 128 113.100 115.018 -1.918 1 1 1243 . 11 1 1 A 129 129 ARG H H 129 8.500 8.351 0.149 1 1 1244 . 11 1 1 A 129 129 ARG HA H 129 3.500 3.922 -0.422 1 1 1251 . 11 1 1 A 129 129 ARG CA C 129 57.600 56.872 0.728 1 1 1252 . 11 1 1 A 129 129 ARG CB C 129 26.900 28.768 -1.868 1 1 1255 . 11 1 1 A 129 129 ARG N N 129 113.100 118.933 -5.833 1 1 1256 . 11 1 1 A 130 130 SER H H 130 8.050 8.027 0.023 1 1 1257 . 11 1 1 A 130 130 SER HA H 130 4.020 4.680 -0.660 1 1 1260 . 11 1 1 A 130 130 SER CA C 130 60.100 59.014 1.086 1 1 1261 . 11 1 1 A 130 130 SER CB C 130 63.600 65.997 -2.397 1 1 1262 . 11 1 1 A 130 130 SER N N 130 111.100 121.118 -10.018 1 1 1263 . 11 1 1 A 131 131 GLU H H 131 7.060 8.006 -0.946 1 1 1264 . 11 1 1 A 131 131 GLU HA H 131 4.420 4.563 -0.143 1 1 1269 . 11 1 1 A 131 131 GLU CA C 131 54.400 55.034 -0.634 1 1 1270 . 11 1 1 A 131 131 GLU CB C 131 31.800 31.754 0.046 1 1 1272 . 11 1 1 A 131 131 GLU N N 131 114.400 115.465 -1.065 1 1 1273 . 11 1 1 A 132 132 PHE H H 132 8.740 8.590 0.150 1 1 1274 . 11 1 1 A 132 132 PHE HA H 132 5.390 5.629 -0.239 1 1 1282 . 11 1 1 A 132 132 PHE CA C 132 57.200 56.447 0.753 1 1 1283 . 11 1 1 A 132 132 PHE CB C 132 42.900 41.852 1.048 1 1 1287 . 11 1 1 A 132 132 PHE N N 132 117.300 117.367 -0.067 1 1 1288 . 11 1 1 A 133 133 HIS H H 133 9.870 9.596 0.274 1 1 1289 . 11 1 1 A 133 133 HIS HA H 133 5.380 5.305 0.075 1 1 1294 . 11 1 1 A 133 133 HIS CA C 133 53.300 54.575 -1.275 1 1 1295 . 11 1 1 A 133 133 HIS CB C 133 32.700 33.428 -0.728 1 1 1298 . 11 1 1 A 133 133 HIS N N 133 117.900 119.018 -1.118 1 1 1299 . 11 1 1 A 134 134 ARG H H 134 9.080 9.068 0.012 1 1 1300 . 11 1 1 A 134 134 ARG HA H 134 3.500 4.473 -0.973 1 1 1307 . 11 1 1 A 134 134 ARG CA C 134 57.100 55.163 1.937 1 1 1308 . 11 1 1 A 134 134 ARG CB C 134 30.100 31.221 -1.121 1 1 1311 . 11 1 1 A 134 134 ARG N N 134 125.600 123.933 1.667 1 1 1312 . 11 1 1 A 135 135 GLU H H 135 8.410 8.184 0.226 1 1 1313 . 11 1 1 A 135 135 GLU HA H 135 4.550 4.947 -0.397 1 1 1318 . 11 1 1 A 135 135 GLU CA C 135 54.000 54.506 -0.506 1 1 1319 . 11 1 1 A 135 135 GLU CB C 135 33.000 33.565 -0.565 1 1 1321 . 11 1 1 A 135 135 GLU N N 135 128.500 126.207 2.293 1 1 1322 . 11 1 1 A 136 136 ASP H H 136 8.480 8.480 0.000 1 1 1323 . 11 1 1 A 136 136 ASP HA H 136 4.460 4.871 -0.411 1 1 1326 . 11 1 1 A 136 136 ASP CA C 136 54.700 53.962 0.738 1 1 1327 . 11 1 1 A 136 136 ASP CB C 136 41.500 42.354 -0.854 1 1 1328 . 11 1 1 A 136 136 ASP N N 136 124.300 122.655 1.645 1 1 1329 . 11 1 1 A 137 137 ILE H H 137 8.340 8.494 -0.154 1 1 1330 . 11 1 1 A 137 137 ILE HA H 137 4.570 4.346 0.224 1 1 1340 . 11 1 1 A 137 137 ILE CA C 137 61.400 60.916 0.484 1 1 1341 . 11 1 1 A 137 137 ILE CB C 137 38.600 37.507 1.093 1 1 1345 . 11 1 1 A 137 137 ILE N N 137 121.100 122.803 -1.703 1 1 1346 . 11 1 1 A 138 138 VAL H H 138 8.730 8.683 0.047 1 1 1347 . 11 1 1 A 138 138 VAL HA H 138 4.570 4.565 0.005 1 1 1355 . 11 1 1 A 138 138 VAL CA C 138 59.800 60.815 -1.015 1 1 1356 . 11 1 1 A 138 138 VAL CB C 138 34.700 34.600 0.100 1 1 1359 . 11 1 1 A 138 138 VAL N N 138 125.100 128.082 -2.982 1 1 1360 . 11 1 1 A 139 139 ARG H H 139 8.390 8.315 0.075 1 1 1361 . 11 1 1 A 139 139 ARG HA H 139 5.210 4.713 0.497 1 1 1368 . 11 1 1 A 139 139 ARG CA C 139 53.500 54.121 -0.621 1 1 1369 . 11 1 1 A 139 139 ARG CB C 139 30.100 29.716 0.384 1 1 1372 . 11 1 1 A 139 139 ARG N N 139 122.800 125.207 -2.407 1 1 1373 . 11 1 1 A 140 140 PRO HA H 140 4.380 4.420 -0.040 1 1 1380 . 11 1 1 A 140 140 PRO CA C 140 62.400 62.960 -0.560 1 1 1381 . 11 1 1 A 140 140 PRO CB C 140 32.000 31.903 0.097 1 1 1384 . 11 1 1 A 141 141 ASP H H 141 8.520 8.426 0.094 1 1 1385 . 11 1 1 A 141 141 ASP HA H 141 4.780 4.558 0.222 1 1 1388 . 11 1 1 A 141 141 ASP CA C 141 54.500 52.780 1.720 1 1 1389 . 11 1 1 A 141 141 ASP CB C 141 40.600 40.585 0.015 1 1 1390 . 11 1 1 A 141 141 ASP N N 141 122.200 122.353 -0.153 1 1 1391 . 11 1 1 A 142 142 PRO HA H 142 4.380 4.401 -0.021 1 1 1398 . 11 1 1 A 142 142 PRO CA C 142 63.500 63.084 0.416 1 1 1399 . 11 1 1 A 142 142 PRO CB C 142 32.000 30.738 1.262 1 1 1402 . 11 1 1 A 143 143 GLU H H 143 8.460 8.422 0.038 1 1 1403 . 11 1 1 A 143 143 GLU HA H 143 4.260 3.777 0.483 1 1 1408 . 11 1 1 A 143 143 GLU CA C 143 56.000 57.483 -1.483 1 1 1409 . 11 1 1 A 143 143 GLU CB C 143 30.000 27.797 2.203 1 1 1411 . 11 1 1 A 143 143 GLU N N 143 119.500 117.286 2.214 1 1 1412 . 11 1 1 A 144 144 ALA H H 144 8.030 7.479 0.551 1 1 1413 . 11 1 1 A 144 144 ALA HA H 144 4.590 4.475 0.115 1 1 1417 . 11 1 1 A 144 144 ALA CA C 144 50.300 49.006 1.294 1 1 1418 . 11 1 1 A 144 144 ALA CB C 144 18.300 19.374 -1.074 1 1 1419 . 11 1 1 A 144 144 ALA N N 144 125.800 121.966 3.834 1 1 1420 . 11 1 1 A 145 145 PRO HA H 145 4.400 4.701 -0.301 1 1 1427 . 11 1 1 A 145 145 PRO CA C 145 62.900 62.167 0.733 1 1 1428 . 11 1 1 A 145 145 PRO CB C 145 32.000 32.667 -0.667 1 1 1431 . 11 1 1 A 146 146 LEU H H 146 8.330 8.253 0.077 1 1 1432 . 11 1 1 A 146 146 LEU HA H 146 4.230 4.530 -0.300 1 1 1442 . 11 1 1 A 146 146 LEU CA C 146 55.100 53.959 1.141 1 1 1443 . 11 1 1 A 146 146 LEU CB C 146 42.200 42.288 -0.088 1 1 1447 . 11 1 1 A 146 146 LEU N N 146 122.100 121.393 0.707 1 1 1448 . 11 1 1 A 147 147 GLU H H 147 8.300 8.198 0.102 1 1 1449 . 11 1 1 A 147 147 GLU HA H 147 4.220 4.360 -0.140 1 1 1454 . 11 1 1 A 147 147 GLU CA C 147 56.200 56.196 0.004 1 1 1455 . 11 1 1 A 147 147 GLU CB C 147 30.300 30.045 0.255 1 1 13 . 12 1 1 A 2 2 LYS H H 2 9.020 8.528 0.492 1 1 14 . 12 1 1 A 2 2 LYS HA H 2 5.640 5.647 -0.007 1 1 23 . 12 1 1 A 2 2 LYS CA C 2 53.700 54.796 -1.096 1 1 24 . 12 1 1 A 2 2 LYS CB C 2 34.900 34.647 0.253 1 1 28 . 12 1 1 A 2 2 LYS N N 2 125.700 126.208 -0.508 1 1 29 . 12 1 1 A 3 3 THR H H 3 8.850 8.420 0.430 1 1 30 . 12 1 1 A 3 3 THR HA H 3 4.660 4.708 -0.048 1 1 36 . 12 1 1 A 3 3 THR CA C 3 61.600 60.206 1.394 1 1 37 . 12 1 1 A 3 3 THR CB C 3 68.200 70.237 -2.037 1 1 39 . 12 1 1 A 3 3 THR N N 3 117.000 116.922 0.078 1 1 40 . 12 1 1 A 4 4 THR H H 4 8.100 8.348 -0.248 1 1 41 . 12 1 1 A 4 4 THR HA H 4 4.790 4.915 -0.125 1 1 46 . 12 1 1 A 4 4 THR CA C 4 58.500 59.264 -0.764 1 1 47 . 12 1 1 A 4 4 THR CB C 4 68.400 69.510 -1.110 1 1 49 . 12 1 1 A 4 4 THR N N 4 110.200 115.831 -5.631 1 1 50 . 12 1 1 A 5 5 PRO HA H 5 4.110 4.158 -0.048 1 1 57 . 12 1 1 A 5 5 PRO CA C 5 65.300 65.675 -0.375 1 1 58 . 12 1 1 A 5 5 PRO CB C 5 31.800 31.569 0.231 1 1 61 . 12 1 1 A 6 6 ASP H H 6 8.530 8.371 0.159 1 1 62 . 12 1 1 A 6 6 ASP HA H 6 4.350 4.398 -0.048 1 1 65 . 12 1 1 A 6 6 ASP CA C 6 56.300 57.020 -0.720 1 1 66 . 12 1 1 A 6 6 ASP CB C 6 39.500 41.464 -1.964 1 1 67 . 12 1 1 A 6 6 ASP N N 6 114.600 117.386 -2.786 1 1 68 . 12 1 1 A 7 7 ILE H H 7 7.270 7.609 -0.339 1 1 69 . 12 1 1 A 7 7 ILE HA H 7 3.620 3.643 -0.023 1 1 79 . 12 1 1 A 7 7 ILE CA C 7 61.900 65.427 -3.527 1 1 80 . 12 1 1 A 7 7 ILE CB C 7 34.900 37.673 -2.773 1 1 84 . 12 1 1 A 7 7 ILE N N 7 121.700 119.347 2.353 1 1 85 . 12 1 1 A 8 8 LEU H H 8 6.960 7.951 -0.991 1 1 86 . 12 1 1 A 8 8 LEU HA H 8 3.710 3.850 -0.140 1 1 96 . 12 1 1 A 8 8 LEU CA C 8 57.800 57.970 -0.170 1 1 97 . 12 1 1 A 8 8 LEU CB C 8 39.900 41.187 -1.287 1 1 101 . 12 1 1 A 8 8 LEU N N 8 117.200 119.711 -2.511 1 1 102 . 12 1 1 A 9 9 ASP H H 9 8.220 8.528 -0.308 1 1 103 . 12 1 1 A 9 9 ASP HA H 9 4.330 4.223 0.107 1 1 106 . 12 1 1 A 9 9 ASP CA C 9 57.600 57.857 -0.257 1 1 107 . 12 1 1 A 9 9 ASP CB C 9 40.100 41.304 -1.204 1 1 108 . 12 1 1 A 9 9 ASP N N 9 117.600 119.384 -1.784 1 1 109 . 12 1 1 A 10 10 GLN H H 10 7.630 7.918 -0.288 1 1 110 . 12 1 1 A 10 10 GLN HA H 10 3.850 3.983 -0.133 1 1 117 . 12 1 1 A 10 10 GLN CA C 10 59.200 58.864 0.336 1 1 118 . 12 1 1 A 10 10 GLN CB C 10 29.300 28.311 0.989 1 1 120 . 12 1 1 A 10 10 GLN N N 10 118.700 117.649 1.051 1 1 122 . 12 1 1 A 11 11 ILE H H 11 7.590 7.979 -0.389 1 1 123 . 12 1 1 A 11 11 ILE HA H 11 2.960 3.556 -0.596 1 1 133 . 12 1 1 A 11 11 ILE CA C 11 65.800 64.761 1.039 1 1 134 . 12 1 1 A 11 11 ILE CB C 11 37.500 37.445 0.055 1 1 138 . 12 1 1 A 11 11 ILE N N 11 121.700 121.263 0.437 1 1 139 . 12 1 1 A 12 12 ARG H H 12 7.720 8.038 -0.318 1 1 140 . 12 1 1 A 12 12 ARG HA H 12 3.610 4.070 -0.460 1 1 147 . 12 1 1 A 12 12 ARG CA C 12 61.300 58.737 2.563 1 1 148 . 12 1 1 A 12 12 ARG CB C 12 30.100 29.741 0.359 1 1 151 . 12 1 1 A 12 12 ARG N N 12 118.400 120.822 -2.422 1 1 152 . 12 1 1 A 13 13 VAL H H 13 8.480 7.830 0.650 1 1 153 . 12 1 1 A 13 13 VAL HA H 13 3.640 3.583 0.057 1 1 161 . 12 1 1 A 13 13 VAL CA C 13 66.400 66.361 0.039 1 1 162 . 12 1 1 A 13 13 VAL CB C 13 31.600 31.846 -0.246 1 1 165 . 12 1 1 A 13 13 VAL N N 13 118.400 120.947 -2.547 1 1 166 . 12 1 1 A 14 14 HIS H H 14 7.790 8.604 -0.814 1 1 167 . 12 1 1 A 14 14 HIS HA H 14 4.620 4.276 0.344 1 1 172 . 12 1 1 A 14 14 HIS CA C 14 57.500 59.108 -1.608 1 1 173 . 12 1 1 A 14 14 HIS CB C 14 31.100 29.453 1.647 1 1 176 . 12 1 1 A 14 14 HIS N N 14 119.600 118.911 0.689 1 1 177 . 12 1 1 A 15 15 GLY H H 15 8.290 8.523 -0.233 1 1 178 . 12 1 1 A 15 15 GLY HA2 H 15 3.400 3.825 -0.425 1 1 179 . 12 1 1 A 15 15 GLY HA3 H 15 3.620 3.872 -0.252 1 1 180 . 12 1 1 A 15 15 GLY CA C 15 47.800 47.223 0.577 1 1 181 . 12 1 1 A 15 15 GLY N N 15 104.200 105.863 -1.663 1 1 182 . 12 1 1 A 16 16 ALA H H 16 8.650 7.608 1.042 1 1 183 . 12 1 1 A 16 16 ALA HA H 16 3.940 3.976 -0.036 1 1 187 . 12 1 1 A 16 16 ALA CA C 16 55.500 54.510 0.990 1 1 188 . 12 1 1 A 16 16 ALA CB C 16 18.600 18.288 0.312 1 1 189 . 12 1 1 A 16 16 ALA N N 16 125.700 124.824 0.876 1 1 190 . 12 1 1 A 17 17 ASP H H 17 9.020 8.391 0.629 1 1 191 . 12 1 1 A 17 17 ASP HA H 17 4.420 4.432 -0.012 1 1 194 . 12 1 1 A 17 17 ASP CA C 17 56.700 56.848 -0.148 1 1 195 . 12 1 1 A 17 17 ASP CB C 17 41.300 41.396 -0.096 1 1 196 . 12 1 1 A 17 17 ASP N N 17 119.300 118.756 0.544 1 1 197 . 12 1 1 A 18 18 ALA H H 18 8.210 7.533 0.677 1 1 198 . 12 1 1 A 18 18 ALA HA H 18 4.180 3.988 0.192 1 1 202 . 12 1 1 A 18 18 ALA CA C 18 53.100 54.933 -1.833 1 1 203 . 12 1 1 A 18 18 ALA CB C 18 19.000 18.438 0.562 1 1 204 . 12 1 1 A 18 18 ALA N N 18 118.300 120.668 -2.368 1 1 205 . 12 1 1 A 19 19 TYR H H 19 7.080 7.502 -0.422 1 1 206 . 12 1 1 A 19 19 TYR HA H 19 4.190 4.810 -0.620 1 1 213 . 12 1 1 A 19 19 TYR CA C 19 58.300 57.199 1.101 1 1 214 . 12 1 1 A 19 19 TYR CB C 19 39.100 38.026 1.074 1 1 217 . 12 1 1 A 19 19 TYR N N 19 118.200 117.698 0.502 1 1 218 . 12 1 1 A 20 20 PRO HA H 20 2.690 4.700 -2.010 1 1 225 . 12 1 1 A 20 20 PRO CA C 20 63.300 63.811 -0.511 1 1 226 . 12 1 1 A 20 20 PRO CB C 20 33.500 32.104 1.396 1 1 229 . 12 1 1 A 21 21 GLU H H 21 8.660 8.001 0.659 1 1 230 . 12 1 1 A 21 21 GLU HA H 21 4.420 4.368 0.052 1 1 235 . 12 1 1 A 21 21 GLU CA C 21 55.300 55.590 -0.290 1 1 236 . 12 1 1 A 21 21 GLU CB C 21 30.400 30.976 -0.576 1 1 238 . 12 1 1 A 21 21 GLU N N 21 124.800 120.059 4.741 1 1 239 . 12 1 1 A 22 22 GLU H H 22 8.290 8.524 -0.234 1 1 240 . 12 1 1 A 22 22 GLU HA H 22 3.990 4.247 -0.257 1 1 245 . 12 1 1 A 22 22 GLU CA C 22 56.400 55.793 0.607 1 1 246 . 12 1 1 A 22 22 GLU CB C 22 30.900 31.275 -0.375 1 1 248 . 12 1 1 A 22 22 GLU N N 22 119.700 119.530 0.170 1 1 249 . 12 1 1 A 23 23 GLY H H 23 8.770 8.048 0.722 1 1 250 . 12 1 1 A 23 23 GLY HA2 H 23 2.430 4.018 -1.588 1 1 251 . 12 1 1 A 23 23 GLY HA3 H 23 4.270 4.087 0.183 1 1 252 . 12 1 1 A 23 23 GLY CA C 23 42.900 45.370 -2.470 1 1 253 . 12 1 1 A 23 23 GLY N N 23 112.400 110.784 1.616 1 1 254 . 12 1 1 A 24 24 CYS H H 24 8.580 8.109 0.471 1 1 255 . 12 1 1 A 24 24 CYS HA H 24 4.630 4.170 0.460 1 1 258 . 12 1 1 A 24 24 CYS CA C 24 54.900 59.193 -4.293 1 1 259 . 12 1 1 A 24 24 CYS CB C 24 31.300 27.183 4.117 1 1 260 . 12 1 1 A 24 24 CYS N N 24 118.100 119.442 -1.342 1 1 261 . 12 1 1 A 25 25 GLY H H 25 6.730 7.585 -0.855 1 1 262 . 12 1 1 A 25 25 GLY HA2 H 25 3.650 3.847 -0.197 1 1 263 . 12 1 1 A 25 25 GLY HA3 H 25 4.030 4.052 -0.022 1 1 264 . 12 1 1 A 25 25 GLY CA C 25 45.900 44.378 1.522 1 1 265 . 12 1 1 A 25 25 GLY N N 25 104.600 110.250 -5.650 1 1 266 . 12 1 1 A 26 26 PHE H H 26 9.350 8.709 0.641 1 1 267 . 12 1 1 A 26 26 PHE HA H 26 5.130 5.321 -0.191 1 1 275 . 12 1 1 A 26 26 PHE CA C 26 56.900 57.340 -0.440 1 1 276 . 12 1 1 A 26 26 PHE CB C 26 43.300 42.270 1.030 1 1 280 . 12 1 1 A 26 26 PHE N N 26 114.900 119.431 -4.531 1 1 281 . 12 1 1 A 27 27 LEU H H 27 8.320 9.595 -1.275 1 1 282 . 12 1 1 A 27 27 LEU HA H 27 4.590 5.061 -0.471 1 1 292 . 12 1 1 A 27 27 LEU CA C 27 52.900 53.718 -0.818 1 1 293 . 12 1 1 A 27 27 LEU CB C 27 41.200 42.979 -1.779 1 1 297 . 12 1 1 A 27 27 LEU N N 27 119.100 123.032 -3.932 1 1 298 . 12 1 1 A 28 28 LEU H H 28 9.050 9.022 0.028 1 1 299 . 12 1 1 A 28 28 LEU HA H 28 5.390 5.341 0.049 1 1 309 . 12 1 1 A 28 28 LEU CA C 28 51.900 53.248 -1.348 1 1 310 . 12 1 1 A 28 28 LEU CB C 28 42.900 43.708 -0.808 1 1 314 . 12 1 1 A 28 28 LEU N N 28 123.500 124.827 -1.327 1 1 315 . 12 1 1 A 29 29 GLY H H 29 9.950 8.459 1.491 1 1 316 . 12 1 1 A 29 29 GLY HA2 H 29 5.270 4.246 1.024 1 1 317 . 12 1 1 A 29 29 GLY HA3 H 29 3.900 4.248 -0.348 1 1 318 . 12 1 1 A 29 29 GLY CA C 29 46.700 46.166 0.534 1 1 319 . 12 1 1 A 29 29 GLY N N 29 112.400 110.247 2.153 1 1 320 . 12 1 1 A 30 30 THR H H 30 8.810 8.580 0.230 1 1 321 . 12 1 1 A 30 30 THR HA H 30 4.810 5.330 -0.520 1 1 326 . 12 1 1 A 30 30 THR CA C 30 59.900 59.748 0.152 1 1 327 . 12 1 1 A 30 30 THR CB C 30 72.200 72.191 0.009 1 1 329 . 12 1 1 A 30 30 THR N N 30 116.000 117.237 -1.237 1 1 330 . 12 1 1 A 31 31 VAL H H 31 8.530 8.554 -0.024 1 1 331 . 12 1 1 A 31 31 VAL HA H 31 4.830 4.660 0.170 1 1 339 . 12 1 1 A 31 31 VAL CA C 31 61.900 62.110 -0.210 1 1 340 . 12 1 1 A 31 31 VAL CB C 31 32.200 31.503 0.697 1 1 343 . 12 1 1 A 31 31 VAL N N 31 124.200 123.065 1.135 1 1 344 . 12 1 1 A 32 32 THR H H 32 9.040 9.080 -0.040 1 1 345 . 12 1 1 A 32 32 THR HA H 32 4.580 4.823 -0.243 1 1 350 . 12 1 1 A 32 32 THR CA C 32 61.200 59.838 1.362 1 1 351 . 12 1 1 A 32 32 THR CB C 32 70.700 72.351 -1.651 1 1 353 . 12 1 1 A 32 32 THR N N 32 118.900 120.992 -2.092 1 1 354 . 12 1 1 A 33 33 ASP H H 33 8.980 9.011 -0.031 1 1 355 . 12 1 1 A 33 33 ASP HA H 33 4.400 4.422 -0.022 1 1 358 . 12 1 1 A 33 33 ASP CA C 33 56.800 56.746 0.054 1 1 359 . 12 1 1 A 33 33 ASP CB C 33 40.100 40.383 -0.283 1 1 360 . 12 1 1 A 33 33 ASP N N 33 121.100 123.914 -2.814 1 1 361 . 12 1 1 A 34 34 ASP H H 34 7.960 8.155 -0.195 1 1 362 . 12 1 1 A 34 34 ASP HA H 34 4.640 4.815 -0.175 1 1 365 . 12 1 1 A 34 34 ASP CA C 34 53.500 53.089 0.411 1 1 366 . 12 1 1 A 34 34 ASP CB C 34 40.400 41.105 -0.705 1 1 367 . 12 1 1 A 34 34 ASP N N 34 115.400 120.772 -5.372 1 1 368 . 12 1 1 A 35 35 GLY H H 35 8.080 7.954 0.126 1 1 369 . 12 1 1 A 35 35 GLY HA2 H 35 3.590 3.946 -0.356 1 1 370 . 12 1 1 A 35 35 GLY HA3 H 35 4.200 3.964 0.236 1 1 371 . 12 1 1 A 35 35 GLY CA C 35 45.400 45.805 -0.405 1 1 372 . 12 1 1 A 35 35 GLY N N 35 108.400 107.108 1.292 1 1 373 . 12 1 1 A 36 36 ASP H H 36 7.690 7.775 -0.085 1 1 374 . 12 1 1 A 36 36 ASP HA H 36 4.790 5.010 -0.220 1 1 377 . 12 1 1 A 36 36 ASP CA C 36 51.900 52.231 -0.331 1 1 378 . 12 1 1 A 36 36 ASP CB C 36 42.300 44.012 -1.712 1 1 379 . 12 1 1 A 36 36 ASP N N 36 120.100 120.149 -0.049 1 1 380 . 12 1 1 A 37 37 ASN H H 37 8.920 8.799 0.121 1 1 381 . 12 1 1 A 37 37 ASN HA H 37 5.180 5.415 -0.235 1 1 386 . 12 1 1 A 37 37 ASN CA C 37 52.900 52.047 0.853 1 1 387 . 12 1 1 A 37 37 ASN CB C 37 38.800 41.245 -2.445 1 1 388 . 12 1 1 A 37 37 ASN N N 37 119.000 120.093 -1.093 1 1 390 . 12 1 1 A 38 38 ARG H H 38 9.480 9.263 0.217 1 1 391 . 12 1 1 A 38 38 ARG HA H 38 5.310 5.113 0.197 1 1 398 . 12 1 1 A 38 38 ARG CA C 38 53.500 55.072 -1.572 1 1 399 . 12 1 1 A 38 38 ARG CB C 38 31.000 31.576 -0.576 1 1 402 . 12 1 1 A 38 38 ARG N N 38 126.900 124.935 1.965 1 1 403 . 12 1 1 A 39 39 VAL H H 39 8.810 8.508 0.302 1 1 404 . 12 1 1 A 39 39 VAL HA H 39 4.150 4.153 -0.003 1 1 412 . 12 1 1 A 39 39 VAL CA C 39 62.800 62.543 0.257 1 1 413 . 12 1 1 A 39 39 VAL CB C 39 33.100 31.790 1.310 1 1 416 . 12 1 1 A 39 39 VAL N N 39 125.700 127.895 -2.195 1 1 417 . 12 1 1 A 40 40 ALA H H 40 9.680 8.718 0.962 1 1 418 . 12 1 1 A 40 40 ALA HA H 40 4.690 4.542 0.148 1 1 422 . 12 1 1 A 40 40 ALA CA C 40 51.300 52.615 -1.315 1 1 423 . 12 1 1 A 40 40 ALA CB C 40 22.700 20.709 1.991 1 1 424 . 12 1 1 A 40 40 ALA N N 40 102.300 129.700 -27.400 1 1 425 . 12 1 1 A 41 41 ALA H H 41 8.370 7.814 0.556 1 1 426 . 12 1 1 A 41 41 ALA HA H 41 4.530 4.879 -0.349 1 1 430 . 12 1 1 A 41 41 ALA CA C 41 51.700 50.992 0.708 1 1 431 . 12 1 1 A 41 41 ALA CB C 41 22.200 23.473 -1.273 1 1 432 . 12 1 1 A 41 41 ALA N N 41 120.200 118.288 1.912 1 1 433 . 12 1 1 A 42 42 LEU H H 42 8.690 8.666 0.024 1 1 434 . 12 1 1 A 42 42 LEU HA H 42 5.320 5.172 0.148 1 1 444 . 12 1 1 A 42 42 LEU CA C 42 53.500 53.700 -0.200 1 1 445 . 12 1 1 A 42 42 LEU CB C 42 46.300 45.361 0.939 1 1 449 . 12 1 1 A 42 42 LEU N N 42 118.300 120.117 -1.817 1 1 450 . 12 1 1 A 43 43 HIS H H 43 8.820 8.582 0.238 1 1 451 . 12 1 1 A 43 43 HIS HA H 43 4.870 5.115 -0.245 1 1 456 . 12 1 1 A 43 43 HIS CA C 43 56.300 55.581 0.719 1 1 457 . 12 1 1 A 43 43 HIS CB C 43 34.200 33.192 1.008 1 1 460 . 12 1 1 A 43 43 HIS N N 43 120.700 123.945 -3.245 1 1 461 . 12 1 1 A 44 44 ARG H H 44 8.580 8.488 0.092 1 1 462 . 12 1 1 A 44 44 ARG HA H 44 4.420 4.729 -0.309 1 1 469 . 12 1 1 A 44 44 ARG CA C 44 57.400 55.857 1.543 1 1 470 . 12 1 1 A 44 44 ARG CB C 44 31.100 31.448 -0.348 1 1 473 . 12 1 1 A 44 44 ARG N N 44 128.300 129.250 -0.950 1 1 474 . 12 1 1 A 45 45 ALA H H 45 8.580 8.491 0.089 1 1 475 . 12 1 1 A 45 45 ALA HA H 45 4.720 4.777 -0.057 1 1 479 . 12 1 1 A 45 45 ALA CA C 45 51.500 51.522 -0.022 1 1 480 . 12 1 1 A 45 45 ALA CB C 45 20.200 19.261 0.939 1 1 481 . 12 1 1 A 45 45 ALA N N 45 125.700 128.398 -2.698 1 1 482 . 12 1 1 A 46 46 THR H H 46 8.250 8.975 -0.725 1 1 483 . 12 1 1 A 46 46 THR HA H 46 4.270 4.731 -0.461 1 1 488 . 12 1 1 A 46 46 THR CA C 46 62.000 61.427 0.573 1 1 489 . 12 1 1 A 46 46 THR CB C 46 69.900 69.926 -0.026 1 1 491 . 12 1 1 A 46 46 THR N N 46 115.500 118.751 -3.251 1 1 492 . 12 1 1 A 47 47 ASN H H 47 8.590 8.734 -0.144 1 1 493 . 12 1 1 A 47 47 ASN HA H 47 4.620 4.949 -0.329 1 1 498 . 12 1 1 A 47 47 ASN CA C 47 53.400 52.729 0.671 1 1 499 . 12 1 1 A 47 47 ASN CB C 47 38.400 37.507 0.893 1 1 500 . 12 1 1 A 47 47 ASN N N 47 122.400 125.413 -3.013 1 1 502 . 12 1 1 A 50 50 SER H H 50 8.480 7.939 0.541 1 1 503 . 12 1 1 A 50 50 SER HA H 50 4.400 4.485 -0.085 1 1 506 . 12 1 1 A 50 50 SER CA C 50 58.900 58.121 0.779 1 1 507 . 12 1 1 A 50 50 SER CB C 50 63.600 62.462 1.138 1 1 508 . 12 1 1 A 50 50 SER N N 50 116.600 114.685 1.915 1 1 509 . 12 1 1 A 51 51 GLU H H 51 8.510 8.112 0.398 1 1 510 . 12 1 1 A 51 51 GLU HA H 51 4.300 4.163 0.137 1 1 515 . 12 1 1 A 51 51 GLU CA C 51 56.800 59.133 -2.333 1 1 516 . 12 1 1 A 51 51 GLU CB C 51 29.900 30.258 -0.358 1 1 518 . 12 1 1 A 51 51 GLU N N 51 121.800 123.273 -1.473 1 1 519 . 12 1 1 A 52 52 GLN H H 52 8.300 8.302 -0.002 1 1 520 . 12 1 1 A 52 52 GLN HA H 52 4.310 4.421 -0.111 1 1 527 . 12 1 1 A 52 52 GLN CA C 52 55.900 56.151 -0.251 1 1 528 . 12 1 1 A 52 52 GLN CB C 52 29.000 27.540 1.460 1 1 530 . 12 1 1 A 52 52 GLN N N 52 119.500 117.116 2.384 1 1 532 . 12 1 1 A 53 53 ARG H H 53 8.350 7.976 0.374 1 1 533 . 12 1 1 A 53 53 ARG HA H 53 4.310 4.076 0.234 1 1 540 . 12 1 1 A 53 53 ARG CA C 53 56.800 59.047 -2.247 1 1 541 . 12 1 1 A 53 53 ARG CB C 53 30.700 30.120 0.580 1 1 544 . 12 1 1 A 53 53 ARG N N 53 121.000 120.870 0.130 1 1 545 . 12 1 1 A 54 54 THR H H 54 8.140 7.663 0.477 1 1 546 . 12 1 1 A 54 54 THR HA H 54 4.340 4.394 -0.054 1 1 551 . 12 1 1 A 54 54 THR CA C 54 61.900 63.417 -1.517 1 1 552 . 12 1 1 A 54 54 THR CB C 54 69.600 70.693 -1.093 1 1 554 . 12 1 1 A 54 54 THR N N 54 113.100 112.382 0.718 1 1 555 . 12 1 1 A 64 64 TYR H H 64 8.220 8.603 -0.383 1 1 556 . 12 1 1 A 64 64 TYR HA H 64 3.360 3.394 -0.034 1 1 563 . 12 1 1 A 64 64 TYR CA C 64 61.600 61.372 0.228 1 1 564 . 12 1 1 A 64 64 TYR CB C 64 37.700 38.853 -1.153 1 1 567 . 12 1 1 A 64 64 TYR N N 64 120.700 123.493 -2.793 1 1 568 . 12 1 1 A 65 65 ARG H H 65 8.340 8.222 0.118 1 1 569 . 12 1 1 A 65 65 ARG HA H 65 3.930 3.874 0.056 1 1 576 . 12 1 1 A 65 65 ARG CA C 65 59.600 59.427 0.173 1 1 577 . 12 1 1 A 65 65 ARG CB C 65 30.100 30.046 0.054 1 1 580 . 12 1 1 A 65 65 ARG N N 65 119.200 119.169 0.031 1 1 581 . 12 1 1 A 66 66 ALA H H 66 7.790 8.091 -0.301 1 1 582 . 12 1 1 A 66 66 ALA HA H 66 4.090 4.054 0.036 1 1 586 . 12 1 1 A 66 66 ALA CA C 66 54.700 54.876 -0.176 1 1 587 . 12 1 1 A 66 66 ALA CB C 66 18.100 18.208 -0.108 1 1 588 . 12 1 1 A 66 66 ALA N N 66 121.900 121.809 0.091 1 1 589 . 12 1 1 A 67 67 ALA H H 67 7.550 7.533 0.017 1 1 590 . 12 1 1 A 67 67 ALA HA H 67 2.940 3.509 -0.569 1 1 594 . 12 1 1 A 67 67 ALA CA C 67 54.300 54.727 -0.427 1 1 595 . 12 1 1 A 67 67 ALA CB C 67 18.000 17.691 0.309 1 1 596 . 12 1 1 A 67 67 ALA N N 67 123.000 120.281 2.719 1 1 597 . 12 1 1 A 68 68 ASP H H 68 8.320 8.173 0.147 1 1 598 . 12 1 1 A 68 68 ASP HA H 68 4.100 4.095 0.005 1 1 601 . 12 1 1 A 68 68 ASP CA C 68 56.800 56.475 0.325 1 1 602 . 12 1 1 A 68 68 ASP CB C 68 41.400 40.649 0.751 1 1 603 . 12 1 1 A 68 68 ASP N N 68 118.100 118.456 -0.356 1 1 604 . 12 1 1 A 69 69 ALA H H 69 7.790 8.535 -0.745 1 1 605 . 12 1 1 A 69 69 ALA HA H 69 4.010 3.987 0.023 1 1 609 . 12 1 1 A 69 69 ALA CA C 69 55.000 55.106 -0.106 1 1 610 . 12 1 1 A 69 69 ALA CB C 69 17.600 17.994 -0.394 1 1 611 . 12 1 1 A 69 69 ALA N N 69 121.200 120.737 0.463 1 1 612 . 12 1 1 A 70 70 ALA H H 70 7.490 7.888 -0.398 1 1 613 . 12 1 1 A 70 70 ALA HA H 70 4.070 4.135 -0.065 1 1 617 . 12 1 1 A 70 70 ALA CA C 70 54.500 54.893 -0.393 1 1 618 . 12 1 1 A 70 70 ALA CB C 70 17.900 18.241 -0.341 1 1 619 . 12 1 1 A 70 70 ALA N N 70 121.200 120.016 1.184 1 1 620 . 12 1 1 A 71 71 ALA H H 71 8.620 7.990 0.630 1 1 621 . 12 1 1 A 71 71 ALA HA H 71 3.660 3.955 -0.295 1 1 625 . 12 1 1 A 71 71 ALA CA C 71 55.300 55.286 0.014 1 1 626 . 12 1 1 A 71 71 ALA CB C 71 17.800 18.088 -0.288 1 1 627 . 12 1 1 A 71 71 ALA N N 71 121.600 120.456 1.144 1 1 628 . 12 1 1 A 72 72 GLN H H 72 8.700 8.578 0.122 1 1 629 . 12 1 1 A 72 72 GLN HA H 72 4.080 4.008 0.072 1 1 636 . 12 1 1 A 72 72 GLN CA C 72 59.000 58.919 0.081 1 1 637 . 12 1 1 A 72 72 GLN CB C 72 28.000 28.441 -0.441 1 1 639 . 12 1 1 A 72 72 GLN N N 72 118.600 117.130 1.470 1 1 641 . 12 1 1 A 73 73 GLU H H 73 7.640 8.541 -0.901 1 1 642 . 12 1 1 A 73 73 GLU HA H 73 4.080 4.037 0.043 1 1 647 . 12 1 1 A 73 73 GLU CA C 73 58.800 59.267 -0.467 1 1 648 . 12 1 1 A 73 73 GLU CB C 73 29.600 29.363 0.237 1 1 650 . 12 1 1 A 73 73 GLU N N 73 119.000 120.562 -1.562 1 1 651 . 12 1 1 A 74 74 GLN H H 74 7.400 7.742 -0.342 1 1 652 . 12 1 1 A 74 74 GLN HA H 74 4.470 4.330 0.140 1 1 659 . 12 1 1 A 74 74 GLN CA C 74 55.000 55.606 -0.606 1 1 660 . 12 1 1 A 74 74 GLN CB C 74 30.900 29.409 1.491 1 1 662 . 12 1 1 A 74 74 GLN N N 74 114.600 116.645 -2.045 1 1 664 . 12 1 1 A 75 75 GLY H H 75 7.830 8.612 -0.782 1 1 665 . 12 1 1 A 75 75 GLY HA2 H 75 3.950 3.875 0.075 1 1 666 . 12 1 1 A 75 75 GLY HA3 H 75 3.870 3.877 -0.007 1 1 667 . 12 1 1 A 75 75 GLY CA C 75 46.500 46.017 0.483 1 1 668 . 12 1 1 A 75 75 GLY N N 75 109.300 109.466 -0.166 1 1 669 . 12 1 1 A 76 76 LEU H H 76 8.110 8.261 -0.151 1 1 670 . 12 1 1 A 76 76 LEU HA H 76 4.650 4.932 -0.282 1 1 680 . 12 1 1 A 76 76 LEU CA C 76 52.500 53.032 -0.532 1 1 681 . 12 1 1 A 76 76 LEU CB C 76 45.700 45.586 0.114 1 1 685 . 12 1 1 A 76 76 LEU N N 76 119.300 120.348 -1.048 1 1 686 . 12 1 1 A 77 77 ASP H H 77 8.990 9.464 -0.474 1 1 687 . 12 1 1 A 77 77 ASP HA H 77 5.120 5.116 0.004 1 1 690 . 12 1 1 A 77 77 ASP CA C 77 52.600 52.347 0.253 1 1 691 . 12 1 1 A 77 77 ASP CB C 77 44.600 43.690 0.910 1 1 692 . 12 1 1 A 77 77 ASP N N 77 117.600 118.166 -0.566 1 1 693 . 12 1 1 A 78 78 VAL H H 78 9.070 8.837 0.233 1 1 694 . 12 1 1 A 78 78 VAL HA H 78 4.090 4.178 -0.088 1 1 702 . 12 1 1 A 78 78 VAL CA C 78 63.900 62.813 1.087 1 1 703 . 12 1 1 A 78 78 VAL CB C 78 30.900 31.177 -0.277 1 1 706 . 12 1 1 A 78 78 VAL N N 78 121.900 120.210 1.690 1 1 707 . 12 1 1 A 79 79 VAL H H 79 8.360 8.646 -0.286 1 1 708 . 12 1 1 A 79 79 VAL HA H 79 4.300 4.098 0.202 1 1 716 . 12 1 1 A 79 79 VAL CA C 79 59.500 61.815 -2.315 1 1 717 . 12 1 1 A 79 79 VAL CB C 79 32.600 32.627 -0.027 1 1 720 . 12 1 1 A 79 79 VAL N N 79 116.700 121.604 -4.904 1 1 721 . 12 1 1 A 80 80 GLY H H 80 6.970 7.102 -0.132 1 1 722 . 12 1 1 A 80 80 GLY HA2 H 80 4.380 4.068 0.312 1 1 723 . 12 1 1 A 80 80 GLY HA3 H 80 3.550 4.218 -0.668 1 1 724 . 12 1 1 A 80 80 GLY CA C 80 46.900 45.937 0.963 1 1 725 . 12 1 1 A 80 80 GLY N N 80 106.200 108.997 -2.797 1 1 726 . 12 1 1 A 81 81 VAL H H 81 8.510 8.453 0.057 1 1 727 . 12 1 1 A 81 81 VAL HA H 81 4.900 5.139 -0.239 1 1 735 . 12 1 1 A 81 81 VAL CA C 81 59.400 60.450 -1.050 1 1 736 . 12 1 1 A 81 81 VAL CB C 81 37.600 35.860 1.740 1 1 739 . 12 1 1 A 81 81 VAL N N 81 116.200 119.252 -3.052 1 1 740 . 12 1 1 A 82 82 TYR H H 82 8.370 8.922 -0.552 1 1 741 . 12 1 1 A 82 82 TYR HA H 82 6.000 6.078 -0.078 1 1 748 . 12 1 1 A 82 82 TYR CA C 82 54.900 55.621 -0.721 1 1 749 . 12 1 1 A 82 82 TYR CB C 82 42.800 42.445 0.355 1 1 752 . 12 1 1 A 82 82 TYR N N 82 118.100 121.336 -3.236 1 1 753 . 12 1 1 A 83 83 HIS H H 83 8.520 9.268 -0.748 1 1 754 . 12 1 1 A 83 83 HIS HA H 83 5.150 5.299 -0.149 1 1 759 . 12 1 1 A 83 83 HIS CA C 83 54.900 54.437 0.463 1 1 760 . 12 1 1 A 83 83 HIS CB C 83 33.200 33.690 -0.490 1 1 763 . 12 1 1 A 83 83 HIS N N 83 115.400 121.890 -6.490 1 1 764 . 12 1 1 A 84 84 SER H H 84 9.060 9.018 0.042 1 1 765 . 12 1 1 A 84 84 SER HA H 84 5.590 5.539 0.051 1 1 768 . 12 1 1 A 84 84 SER CA C 84 55.800 56.783 -0.983 1 1 769 . 12 1 1 A 84 84 SER CB C 84 65.500 64.993 0.507 1 1 770 . 12 1 1 A 84 84 SER N N 84 117.100 120.451 -3.351 1 1 771 . 12 1 1 A 85 85 HIS H H 85 8.980 9.316 -0.336 1 1 772 . 12 1 1 A 85 85 HIS HA H 85 4.830 4.924 -0.094 1 1 777 . 12 1 1 A 85 85 HIS CA C 85 50.400 53.800 -3.400 1 1 778 . 12 1 1 A 85 85 HIS CB C 85 32.000 31.116 0.884 1 1 781 . 12 1 1 A 85 85 HIS N N 85 117.600 121.952 -4.352 1 1 782 . 12 1 1 A 86 86 PRO HA H 86 5.080 5.048 0.032 1 1 789 . 12 1 1 A 86 86 PRO CA C 86 62.400 63.335 -0.935 1 1 790 . 12 1 1 A 86 86 PRO CB C 86 32.400 31.442 0.958 1 1 793 . 12 1 1 A 87 87 ASP H H 87 10.300 9.017 1.283 1 1 794 . 12 1 1 A 87 87 ASP HA H 87 4.320 4.337 -0.017 1 1 797 . 12 1 1 A 87 87 ASP CA C 87 56.600 54.642 1.958 1 1 798 . 12 1 1 A 87 87 ASP CB C 87 39.600 40.529 -0.929 1 1 799 . 12 1 1 A 87 87 ASP N N 87 123.100 124.805 -1.705 1 1 800 . 12 1 1 A 88 88 HIS H H 88 7.500 8.504 -1.004 1 1 801 . 12 1 1 A 88 88 HIS HA H 88 5.050 4.567 0.483 1 1 806 . 12 1 1 A 88 88 HIS CA C 88 54.700 57.323 -2.623 1 1 807 . 12 1 1 A 88 88 HIS CB C 88 32.400 28.550 3.850 1 1 810 . 12 1 1 A 88 88 HIS N N 88 115.000 117.695 -2.695 1 1 811 . 12 1 1 A 89 89 PRO HA H 89 4.370 4.482 -0.112 1 1 818 . 12 1 1 A 89 89 PRO CA C 89 62.700 63.811 -1.111 1 1 819 . 12 1 1 A 89 89 PRO CB C 89 31.600 32.197 -0.597 1 1 822 . 12 1 1 A 90 90 ALA H H 90 8.020 8.145 -0.125 1 1 823 . 12 1 1 A 90 90 ALA HA H 90 4.290 4.018 0.272 1 1 827 . 12 1 1 A 90 90 ALA CA C 90 50.800 53.952 -3.152 1 1 828 . 12 1 1 A 90 90 ALA CB C 90 16.600 18.308 -1.708 1 1 829 . 12 1 1 A 90 90 ALA N N 90 125.800 119.647 6.153 1 1 830 . 12 1 1 A 91 91 ARG H H 91 7.990 7.911 0.079 1 1 831 . 12 1 1 A 91 91 ARG HA H 91 4.300 4.397 -0.097 1 1 838 . 12 1 1 A 91 91 ARG CA C 91 53.100 54.487 -1.387 1 1 839 . 12 1 1 A 91 91 ARG CB C 91 31.800 29.024 2.776 1 1 842 . 12 1 1 A 91 91 ARG N N 91 121.900 117.753 4.147 1 1 843 . 12 1 1 A 92 92 PRO HA H 92 4.070 4.440 -0.370 1 1 850 . 12 1 1 A 92 92 PRO CA C 92 62.300 63.042 -0.742 1 1 851 . 12 1 1 A 92 92 PRO CB C 92 32.500 31.725 0.775 1 1 854 . 12 1 1 A 93 93 SER H H 93 9.960 8.463 1.497 1 1 855 . 12 1 1 A 93 93 SER HA H 93 4.630 4.766 -0.136 1 1 858 . 12 1 1 A 93 93 SER CA C 93 56.300 57.334 -1.034 1 1 859 . 12 1 1 A 93 93 SER CB C 93 66.500 64.898 1.602 1 1 860 . 12 1 1 A 93 93 SER N N 93 121.800 117.250 4.550 1 1 861 . 12 1 1 A 94 94 ALA H H 94 8.880 8.991 -0.111 1 1 862 . 12 1 1 A 94 94 ALA HA H 94 4.130 4.004 0.126 1 1 866 . 12 1 1 A 94 94 ALA CA C 94 55.400 55.435 -0.035 1 1 867 . 12 1 1 A 94 94 ALA CB C 94 18.000 18.297 -0.297 1 1 868 . 12 1 1 A 94 94 ALA N N 94 123.100 124.815 -1.715 1 1 869 . 12 1 1 A 95 95 THR H H 95 7.870 7.915 -0.045 1 1 870 . 12 1 1 A 95 95 THR HA H 95 3.920 4.006 -0.086 1 1 875 . 12 1 1 A 95 95 THR CA C 95 65.700 66.519 -0.819 1 1 876 . 12 1 1 A 95 95 THR CB C 95 68.400 68.605 -0.205 1 1 878 . 12 1 1 A 95 95 THR N N 95 114.300 113.787 0.513 1 1 879 . 12 1 1 A 96 96 ASP H H 96 7.420 8.312 -0.892 1 1 880 . 12 1 1 A 96 96 ASP HA H 96 4.230 4.369 -0.139 1 1 883 . 12 1 1 A 96 96 ASP CA C 96 57.400 57.679 -0.279 1 1 884 . 12 1 1 A 96 96 ASP CB C 96 40.100 42.240 -2.140 1 1 885 . 12 1 1 A 96 96 ASP N N 96 121.000 121.262 -0.262 1 1 886 . 12 1 1 A 97 97 LEU H H 97 7.490 8.185 -0.695 1 1 887 . 12 1 1 A 97 97 LEU HA H 97 4.000 4.325 -0.325 1 1 897 . 12 1 1 A 97 97 LEU CA C 97 57.600 57.846 -0.246 1 1 898 . 12 1 1 A 97 97 LEU CB C 97 41.400 41.528 -0.128 1 1 902 . 12 1 1 A 97 97 LEU N N 97 118.900 120.468 -1.568 1 1 903 . 12 1 1 A 98 98 GLU H H 98 7.690 7.857 -0.167 1 1 904 . 12 1 1 A 98 98 GLU HA H 98 3.900 3.996 -0.096 1 1 909 . 12 1 1 A 98 98 GLU CA C 98 58.700 59.568 -0.868 1 1 910 . 12 1 1 A 98 98 GLU CB C 98 29.600 28.973 0.627 1 1 912 . 12 1 1 A 98 98 GLU N N 98 119.100 118.657 0.443 1 1 913 . 12 1 1 A 99 99 GLU H H 99 7.500 7.875 -0.375 1 1 914 . 12 1 1 A 99 99 GLU HA H 99 4.200 4.249 -0.049 1 1 919 . 12 1 1 A 99 99 GLU CA C 99 56.100 57.595 -1.495 1 1 920 . 12 1 1 A 99 99 GLU CB C 99 30.000 29.726 0.274 1 1 922 . 12 1 1 A 99 99 GLU N N 99 114.300 117.489 -3.189 1 1 923 . 12 1 1 A 100 100 ALA H H 100 7.400 7.715 -0.315 1 1 924 . 12 1 1 A 100 100 ALA HA H 100 4.620 4.635 -0.015 1 1 928 . 12 1 1 A 100 100 ALA CA C 100 52.000 51.108 0.892 1 1 929 . 12 1 1 A 100 100 ALA CB C 100 18.100 19.611 -1.511 1 1 930 . 12 1 1 A 100 100 ALA N N 100 125.900 123.044 2.856 1 1 931 . 12 1 1 A 101 101 THR H H 101 7.790 8.780 -0.990 1 1 932 . 12 1 1 A 101 101 THR HA H 101 4.050 4.516 -0.466 1 1 937 . 12 1 1 A 101 101 THR CA C 101 61.200 61.090 0.110 1 1 938 . 12 1 1 A 101 101 THR CB C 101 68.900 69.461 -0.561 1 1 940 . 12 1 1 A 101 101 THR N N 101 111.700 119.132 -7.432 1 1 941 . 12 1 1 A 102 102 PHE H H 102 7.320 7.589 -0.269 1 1 942 . 12 1 1 A 102 102 PHE HA H 102 4.750 5.071 -0.321 1 1 950 . 12 1 1 A 102 102 PHE CA C 102 54.300 54.871 -0.571 1 1 951 . 12 1 1 A 102 102 PHE CB C 102 38.200 39.106 -0.906 1 1 955 . 12 1 1 A 102 102 PHE N N 102 120.200 120.442 -0.242 1 1 956 . 12 1 1 A 103 103 PRO HA H 103 4.480 4.547 -0.067 1 1 963 . 12 1 1 A 103 103 PRO CA C 103 64.100 64.023 0.077 1 1 964 . 12 1 1 A 103 103 PRO CB C 103 32.000 31.462 0.538 1 1 967 . 12 1 1 A 104 104 GLY H H 104 8.920 9.210 -0.290 1 1 968 . 12 1 1 A 104 104 GLY HA2 H 104 4.270 4.079 0.191 1 1 969 . 12 1 1 A 104 104 GLY HA3 H 104 4.160 4.112 0.048 1 1 970 . 12 1 1 A 104 104 GLY CA C 104 45.600 45.432 0.168 1 1 971 . 12 1 1 A 104 104 GLY N N 104 109.600 113.252 -3.652 1 1 972 . 12 1 1 A 105 105 PHE H H 105 7.250 8.101 -0.851 1 1 973 . 12 1 1 A 105 105 PHE HA H 105 4.930 4.726 0.204 1 1 981 . 12 1 1 A 105 105 PHE CA C 105 54.900 58.285 -3.385 1 1 982 . 12 1 1 A 105 105 PHE CB C 105 39.400 39.776 -0.376 1 1 986 . 12 1 1 A 105 105 PHE N N 105 120.100 120.075 0.025 1 1 987 . 12 1 1 A 106 106 THR H H 106 8.110 8.306 -0.196 1 1 988 . 12 1 1 A 106 106 THR HA H 106 4.840 4.824 0.016 1 1 993 . 12 1 1 A 106 106 THR CA C 106 64.400 62.375 2.025 1 1 994 . 12 1 1 A 106 106 THR CB C 106 70.500 69.395 1.105 1 1 996 . 12 1 1 A 106 106 THR N N 106 118.600 117.498 1.102 1 1 997 . 12 1 1 A 107 107 TYR H H 107 9.660 9.627 0.033 1 1 998 . 12 1 1 A 107 107 TYR HA H 107 5.150 5.853 -0.703 1 1 1005 . 12 1 1 A 107 107 TYR CA C 107 56.900 57.212 -0.312 1 1 1006 . 12 1 1 A 107 107 TYR CB C 107 38.900 39.439 -0.539 1 1 1009 . 12 1 1 A 107 107 TYR N N 107 126.600 127.316 -0.716 1 1 1010 . 12 1 1 A 108 108 VAL H H 108 9.270 9.448 -0.178 1 1 1011 . 12 1 1 A 108 108 VAL HA H 108 5.220 4.758 0.462 1 1 1019 . 12 1 1 A 108 108 VAL CA C 108 60.800 62.481 -1.681 1 1 1020 . 12 1 1 A 108 108 VAL CB C 108 33.500 32.362 1.138 1 1 1023 . 12 1 1 A 108 108 VAL N N 108 124.400 124.476 -0.076 1 1 1024 . 12 1 1 A 109 109 ILE H H 109 9.300 9.645 -0.345 1 1 1025 . 12 1 1 A 109 109 ILE HA H 109 5.150 5.077 0.073 1 1 1035 . 12 1 1 A 109 109 ILE CA C 109 58.000 59.920 -1.920 1 1 1036 . 12 1 1 A 109 109 ILE CB C 109 39.600 39.163 0.437 1 1 1040 . 12 1 1 A 109 109 ILE N N 109 128.500 129.257 -0.757 1 1 1041 . 12 1 1 A 110 110 VAL H H 110 7.910 8.975 -1.065 1 1 1042 . 12 1 1 A 110 110 VAL HA H 110 5.650 4.857 0.793 1 1 1050 . 12 1 1 A 110 110 VAL CA C 110 56.800 59.908 -3.108 1 1 1051 . 12 1 1 A 110 110 VAL CB C 110 35.400 34.198 1.202 1 1 1054 . 12 1 1 A 110 110 VAL N N 110 122.600 129.587 -6.987 1 1 1055 . 12 1 1 A 111 111 SER H H 111 9.390 9.081 0.309 1 1 1056 . 12 1 1 A 111 111 SER HA H 111 4.850 4.897 -0.047 1 1 1059 . 12 1 1 A 111 111 SER CA C 111 57.700 56.982 0.718 1 1 1060 . 12 1 1 A 111 111 SER CB C 111 64.500 63.845 0.655 1 1 1061 . 12 1 1 A 111 111 SER N N 111 124.700 124.534 0.166 1 1 1062 . 12 1 1 A 112 112 VAL H H 112 7.850 9.708 -1.858 1 1 1063 . 12 1 1 A 112 112 VAL HA H 112 4.530 4.519 0.011 1 1 1071 . 12 1 1 A 112 112 VAL CA C 112 61.000 61.175 -0.175 1 1 1072 . 12 1 1 A 112 112 VAL CB C 112 33.800 33.023 0.777 1 1 1075 . 12 1 1 A 112 112 VAL N N 112 126.100 127.969 -1.869 1 1 1076 . 12 1 1 A 113 113 ARG H H 113 8.620 9.281 -0.661 1 1 1077 . 12 1 1 A 113 113 ARG HA H 113 5.020 4.439 0.581 1 1 1084 . 12 1 1 A 113 113 ARG CA C 113 54.100 55.092 -0.992 1 1 1085 . 12 1 1 A 113 113 ARG CB C 113 31.500 29.273 2.227 1 1 1088 . 12 1 1 A 113 113 ARG N N 113 128.800 128.459 0.341 1 1 1089 . 12 1 1 A 114 114 ASP H H 114 9.650 8.751 0.899 1 1 1090 . 12 1 1 A 114 114 ASP HA H 114 4.370 4.381 -0.011 1 1 1093 . 12 1 1 A 114 114 ASP CA C 114 55.100 55.064 0.036 1 1 1094 . 12 1 1 A 114 114 ASP CB C 114 39.800 39.924 -0.124 1 1 1095 . 12 1 1 A 114 114 ASP N N 114 128.100 126.183 1.917 1 1 1096 . 12 1 1 A 115 115 GLY H H 115 8.350 7.972 0.378 1 1 1097 . 12 1 1 A 115 115 GLY HA2 H 115 3.980 3.916 0.064 1 1 1098 . 12 1 1 A 115 115 GLY HA3 H 115 2.460 4.041 -1.581 1 1 1099 . 12 1 1 A 115 115 GLY CA C 115 45.500 45.084 0.416 1 1 1100 . 12 1 1 A 115 115 GLY N N 115 109.900 104.456 5.444 1 1 1101 . 12 1 1 A 116 116 ALA H H 116 7.610 7.466 0.144 1 1 1102 . 12 1 1 A 116 116 ALA HA H 116 4.920 4.480 0.440 1 1 1106 . 12 1 1 A 116 116 ALA CA C 116 48.200 49.266 -1.066 1 1 1107 . 12 1 1 A 116 116 ALA CB C 116 19.600 19.982 -0.382 1 1 1108 . 12 1 1 A 116 116 ALA N N 116 123.900 124.486 -0.586 1 1 1109 . 12 1 1 A 117 117 PRO HA H 117 4.670 4.533 0.137 1 1 1116 . 12 1 1 A 117 117 PRO CA C 117 62.900 62.950 -0.050 1 1 1117 . 12 1 1 A 117 117 PRO CB C 117 31.500 31.773 -0.273 1 1 1120 . 12 1 1 A 118 118 GLU H H 118 8.900 9.353 -0.453 1 1 1121 . 12 1 1 A 118 118 GLU HA H 118 4.540 4.462 0.078 1 1 1126 . 12 1 1 A 118 118 GLU CA C 118 56.200 58.166 -1.966 1 1 1127 . 12 1 1 A 118 118 GLU CB C 118 30.500 30.994 -0.494 1 1 1129 . 12 1 1 A 118 118 GLU N N 118 127.400 123.272 4.128 1 1 1130 . 12 1 1 A 119 119 ALA H H 119 8.060 7.800 0.260 1 1 1131 . 12 1 1 A 119 119 ALA HA H 119 4.460 4.751 -0.291 1 1 1135 . 12 1 1 A 119 119 ALA CA C 119 52.600 50.603 1.997 1 1 1136 . 12 1 1 A 119 119 ALA CB C 119 21.000 23.184 -2.184 1 1 1137 . 12 1 1 A 119 119 ALA N N 119 123.500 119.875 3.625 1 1 1138 . 12 1 1 A 120 120 LEU H H 120 8.170 8.615 -0.445 1 1 1139 . 12 1 1 A 120 120 LEU HA H 120 5.400 5.210 0.190 1 1 1149 . 12 1 1 A 120 120 LEU CA C 120 55.000 53.454 1.546 1 1 1150 . 12 1 1 A 120 120 LEU CB C 120 45.300 44.516 0.784 1 1 1154 . 12 1 1 A 120 120 LEU N N 120 123.500 120.494 3.006 1 1 1155 . 12 1 1 A 121 121 THR H H 121 9.450 9.116 0.334 1 1 1156 . 12 1 1 A 121 121 THR HA H 121 4.520 5.082 -0.562 1 1 1161 . 12 1 1 A 121 121 THR CA C 121 58.700 59.642 -0.942 1 1 1162 . 12 1 1 A 121 121 THR CB C 121 72.100 71.501 0.599 1 1 1164 . 12 1 1 A 121 121 THR N N 121 117.400 115.108 2.292 1 1 1165 . 12 1 1 A 122 122 ALA H H 122 8.620 8.709 -0.089 1 1 1166 . 12 1 1 A 122 122 ALA HA H 122 5.370 5.418 -0.048 1 1 1170 . 12 1 1 A 122 122 ALA CA C 122 50.400 49.963 0.437 1 1 1171 . 12 1 1 A 122 122 ALA CB C 122 21.900 22.107 -0.207 1 1 1172 . 12 1 1 A 122 122 ALA N N 122 123.400 123.998 -0.598 1 1 1173 . 12 1 1 A 123 123 TRP H H 123 8.740 9.475 -0.735 1 1 1174 . 12 1 1 A 123 123 TRP HA H 123 5.090 5.427 -0.337 1 1 1183 . 12 1 1 A 123 123 TRP CA C 123 56.700 56.405 0.295 1 1 1184 . 12 1 1 A 123 123 TRP CB C 123 33.300 33.433 -0.133 1 1 1190 . 12 1 1 A 123 123 TRP N N 123 118.700 121.106 -2.406 1 1 1192 . 12 1 1 A 124 124 ALA H H 124 9.570 9.595 -0.025 1 1 1193 . 12 1 1 A 124 124 ALA HA H 124 5.360 5.622 -0.262 1 1 1197 . 12 1 1 A 124 124 ALA CA C 124 50.300 50.290 0.010 1 1 1198 . 12 1 1 A 124 124 ALA CB C 124 22.600 21.998 0.602 1 1 1199 . 12 1 1 A 124 124 ALA N N 124 123.200 123.987 -0.787 1 1 1200 . 12 1 1 A 125 125 LEU H H 125 9.830 9.208 0.622 1 1 1201 . 12 1 1 A 125 125 LEU HA H 125 4.190 4.609 -0.419 1 1 1211 . 12 1 1 A 125 125 LEU CA C 125 54.700 55.011 -0.311 1 1 1212 . 12 1 1 A 125 125 LEU CB C 125 44.000 43.358 0.642 1 1 1216 . 12 1 1 A 125 125 LEU N N 125 125.000 125.667 -0.667 1 1 1217 . 12 1 1 A 126 126 ALA H H 126 8.310 8.888 -0.578 1 1 1218 . 12 1 1 A 126 126 ALA HA H 126 4.460 4.525 -0.065 1 1 1222 . 12 1 1 A 126 126 ALA CA C 126 51.100 50.851 0.249 1 1 1223 . 12 1 1 A 126 126 ALA CB C 126 18.300 18.192 0.108 1 1 1224 . 12 1 1 A 126 126 ALA N N 126 127.000 129.289 -2.289 1 1 1225 . 12 1 1 A 127 127 PRO HA H 127 4.340 4.424 -0.084 1 1 1232 . 12 1 1 A 127 127 PRO CA C 127 65.400 64.870 0.530 1 1 1233 . 12 1 1 A 127 127 PRO CB C 127 31.800 31.977 -0.177 1 1 1236 . 12 1 1 A 128 128 ASP H H 128 7.680 8.051 -0.371 1 1 1237 . 12 1 1 A 128 128 ASP HA H 128 4.550 4.966 -0.416 1 1 1240 . 12 1 1 A 128 128 ASP CA C 128 52.900 52.430 0.470 1 1 1241 . 12 1 1 A 128 128 ASP CB C 128 39.600 41.063 -1.463 1 1 1242 . 12 1 1 A 128 128 ASP N N 128 113.100 116.454 -3.354 1 1 1243 . 12 1 1 A 129 129 ARG H H 129 8.500 7.929 0.571 1 1 1244 . 12 1 1 A 129 129 ARG HA H 129 3.500 3.919 -0.419 1 1 1251 . 12 1 1 A 129 129 ARG CA C 129 57.600 56.914 0.686 1 1 1252 . 12 1 1 A 129 129 ARG CB C 129 26.900 27.885 -0.985 1 1 1255 . 12 1 1 A 129 129 ARG N N 129 113.100 121.491 -8.391 1 1 1256 . 12 1 1 A 130 130 SER H H 130 8.050 8.041 0.009 1 1 1257 . 12 1 1 A 130 130 SER HA H 130 4.020 4.368 -0.348 1 1 1260 . 12 1 1 A 130 130 SER CA C 130 60.100 60.970 -0.870 1 1 1261 . 12 1 1 A 130 130 SER CB C 130 63.600 63.561 0.039 1 1 1262 . 12 1 1 A 130 130 SER N N 130 111.100 113.874 -2.774 1 1 1263 . 12 1 1 A 131 131 GLU H H 131 7.060 7.625 -0.565 1 1 1264 . 12 1 1 A 131 131 GLU HA H 131 4.420 4.294 0.126 1 1 1269 . 12 1 1 A 131 131 GLU CA C 131 54.400 55.231 -0.831 1 1 1270 . 12 1 1 A 131 131 GLU CB C 131 31.800 30.074 1.726 1 1 1272 . 12 1 1 A 131 131 GLU N N 131 114.400 114.440 -0.040 1 1 1273 . 12 1 1 A 132 132 PHE H H 132 8.740 8.511 0.229 1 1 1274 . 12 1 1 A 132 132 PHE HA H 132 5.390 5.578 -0.188 1 1 1282 . 12 1 1 A 132 132 PHE CA C 132 57.200 56.319 0.881 1 1 1283 . 12 1 1 A 132 132 PHE CB C 132 42.900 41.518 1.382 1 1 1287 . 12 1 1 A 132 132 PHE N N 132 117.300 117.767 -0.467 1 1 1288 . 12 1 1 A 133 133 HIS H H 133 9.870 9.674 0.196 1 1 1289 . 12 1 1 A 133 133 HIS HA H 133 5.380 5.285 0.095 1 1 1294 . 12 1 1 A 133 133 HIS CA C 133 53.300 54.636 -1.336 1 1 1295 . 12 1 1 A 133 133 HIS CB C 133 32.700 33.034 -0.334 1 1 1298 . 12 1 1 A 133 133 HIS N N 133 117.900 119.565 -1.665 1 1 1299 . 12 1 1 A 134 134 ARG H H 134 9.080 8.714 0.366 1 1 1300 . 12 1 1 A 134 134 ARG HA H 134 3.500 4.057 -0.557 1 1 1307 . 12 1 1 A 134 134 ARG CA C 134 57.100 56.603 0.497 1 1 1308 . 12 1 1 A 134 134 ARG CB C 134 30.100 30.909 -0.809 1 1 1311 . 12 1 1 A 134 134 ARG N N 134 125.600 123.689 1.911 1 1 1312 . 12 1 1 A 135 135 GLU H H 135 8.410 8.362 0.048 1 1 1313 . 12 1 1 A 135 135 GLU HA H 135 4.550 4.834 -0.284 1 1 1318 . 12 1 1 A 135 135 GLU CA C 135 54.000 54.738 -0.738 1 1 1319 . 12 1 1 A 135 135 GLU CB C 135 33.000 33.160 -0.160 1 1 1321 . 12 1 1 A 135 135 GLU N N 135 128.500 125.020 3.480 1 1 1322 . 12 1 1 A 136 136 ASP H H 136 8.480 8.740 -0.260 1 1 1323 . 12 1 1 A 136 136 ASP HA H 136 4.460 4.882 -0.422 1 1 1326 . 12 1 1 A 136 136 ASP CA C 136 54.700 53.250 1.450 1 1 1327 . 12 1 1 A 136 136 ASP CB C 136 41.500 45.060 -3.560 1 1 1328 . 12 1 1 A 136 136 ASP N N 136 124.300 120.805 3.495 1 1 1329 . 12 1 1 A 137 137 ILE H H 137 8.340 8.697 -0.357 1 1 1330 . 12 1 1 A 137 137 ILE HA H 137 4.570 4.554 0.016 1 1 1340 . 12 1 1 A 137 137 ILE CA C 137 61.400 60.163 1.237 1 1 1341 . 12 1 1 A 137 137 ILE CB C 137 38.600 37.852 0.748 1 1 1345 . 12 1 1 A 137 137 ILE N N 137 121.100 124.503 -3.403 1 1 1346 . 12 1 1 A 138 138 VAL H H 138 8.730 9.435 -0.705 1 1 1347 . 12 1 1 A 138 138 VAL HA H 138 4.570 4.690 -0.120 1 1 1355 . 12 1 1 A 138 138 VAL CA C 138 59.800 60.501 -0.701 1 1 1356 . 12 1 1 A 138 138 VAL CB C 138 34.700 35.147 -0.447 1 1 1359 . 12 1 1 A 138 138 VAL N N 138 125.100 128.408 -3.308 1 1 1360 . 12 1 1 A 139 139 ARG H H 139 8.390 8.282 0.108 1 1 1361 . 12 1 1 A 139 139 ARG HA H 139 5.210 4.558 0.652 1 1 1368 . 12 1 1 A 139 139 ARG CA C 139 53.500 54.279 -0.779 1 1 1369 . 12 1 1 A 139 139 ARG CB C 139 30.100 29.941 0.159 1 1 1372 . 12 1 1 A 139 139 ARG N N 139 122.800 125.705 -2.905 1 1 1373 . 12 1 1 A 140 140 PRO HA H 140 4.380 4.574 -0.194 1 1 1380 . 12 1 1 A 140 140 PRO CA C 140 62.400 62.685 -0.285 1 1 1381 . 12 1 1 A 140 140 PRO CB C 140 32.000 31.614 0.386 1 1 1384 . 12 1 1 A 141 141 ASP H H 141 8.520 8.495 0.025 1 1 1385 . 12 1 1 A 141 141 ASP HA H 141 4.780 4.800 -0.020 1 1 1388 . 12 1 1 A 141 141 ASP CA C 141 54.500 51.916 2.584 1 1 1389 . 12 1 1 A 141 141 ASP CB C 141 40.600 41.226 -0.626 1 1 1390 . 12 1 1 A 141 141 ASP N N 141 122.200 122.207 -0.007 1 1 1391 . 12 1 1 A 142 142 PRO HA H 142 4.380 4.481 -0.101 1 1 1398 . 12 1 1 A 142 142 PRO CA C 142 63.500 63.829 -0.329 1 1 1399 . 12 1 1 A 142 142 PRO CB C 142 32.000 31.973 0.027 1 1 1402 . 12 1 1 A 143 143 GLU H H 143 8.460 8.078 0.382 1 1 1403 . 12 1 1 A 143 143 GLU HA H 143 4.260 4.573 -0.313 1 1 1408 . 12 1 1 A 143 143 GLU CA C 143 56.000 56.201 -0.201 1 1 1409 . 12 1 1 A 143 143 GLU CB C 143 30.000 30.934 -0.934 1 1 1411 . 12 1 1 A 143 143 GLU N N 143 119.500 120.407 -0.907 1 1 1412 . 12 1 1 A 144 144 ALA H H 144 8.030 7.058 0.972 1 1 1413 . 12 1 1 A 144 144 ALA HA H 144 4.590 4.439 0.151 1 1 1417 . 12 1 1 A 144 144 ALA CA C 144 50.300 50.610 -0.310 1 1 1418 . 12 1 1 A 144 144 ALA CB C 144 18.300 18.676 -0.376 1 1 1419 . 12 1 1 A 144 144 ALA N N 144 125.800 124.123 1.677 1 1 1420 . 12 1 1 A 145 145 PRO HA H 145 4.400 4.635 -0.235 1 1 1427 . 12 1 1 A 145 145 PRO CA C 145 62.900 62.770 0.130 1 1 1428 . 12 1 1 A 145 145 PRO CB C 145 32.000 32.383 -0.383 1 1 1431 . 12 1 1 A 146 146 LEU H H 146 8.330 8.315 0.015 1 1 1432 . 12 1 1 A 146 146 LEU HA H 146 4.230 4.459 -0.229 1 1 1442 . 12 1 1 A 146 146 LEU CA C 146 55.100 53.529 1.571 1 1 1443 . 12 1 1 A 146 146 LEU CB C 146 42.200 43.114 -0.914 1 1 1447 . 12 1 1 A 146 146 LEU N N 146 122.100 119.280 2.820 1 1 1448 . 12 1 1 A 147 147 GLU H H 147 8.300 8.624 -0.324 1 1 1449 . 12 1 1 A 147 147 GLU HA H 147 4.220 4.547 -0.327 1 1 1454 . 12 1 1 A 147 147 GLU CA C 147 56.200 54.645 1.555 1 1 1455 . 12 1 1 A 147 147 GLU CB C 147 30.300 30.890 -0.590 1 1 13 . 13 1 1 A 2 2 LYS H H 2 9.020 8.854 0.166 1 1 14 . 13 1 1 A 2 2 LYS HA H 2 5.640 5.575 0.065 1 1 23 . 13 1 1 A 2 2 LYS CA C 2 53.700 55.384 -1.684 1 1 24 . 13 1 1 A 2 2 LYS CB C 2 34.900 33.581 1.319 1 1 28 . 13 1 1 A 2 2 LYS N N 2 125.700 125.997 -0.297 1 1 29 . 13 1 1 A 3 3 THR H H 3 8.850 8.833 0.017 1 1 30 . 13 1 1 A 3 3 THR HA H 3 4.660 4.797 -0.137 1 1 36 . 13 1 1 A 3 3 THR CA C 3 61.600 60.346 1.254 1 1 37 . 13 1 1 A 3 3 THR CB C 3 68.200 70.126 -1.926 1 1 39 . 13 1 1 A 3 3 THR N N 3 117.000 116.801 0.199 1 1 40 . 13 1 1 A 4 4 THR H H 4 8.100 8.314 -0.214 1 1 41 . 13 1 1 A 4 4 THR HA H 4 4.790 4.989 -0.199 1 1 46 . 13 1 1 A 4 4 THR CA C 4 58.500 58.328 0.172 1 1 47 . 13 1 1 A 4 4 THR CB C 4 68.400 69.944 -1.544 1 1 49 . 13 1 1 A 4 4 THR N N 4 110.200 115.267 -5.067 1 1 50 . 13 1 1 A 5 5 PRO HA H 5 4.110 4.152 -0.042 1 1 57 . 13 1 1 A 5 5 PRO CA C 5 65.300 65.699 -0.399 1 1 58 . 13 1 1 A 5 5 PRO CB C 5 31.800 31.597 0.203 1 1 61 . 13 1 1 A 6 6 ASP H H 6 8.530 8.336 0.194 1 1 62 . 13 1 1 A 6 6 ASP HA H 6 4.350 4.415 -0.065 1 1 65 . 13 1 1 A 6 6 ASP CA C 6 56.300 57.019 -0.719 1 1 66 . 13 1 1 A 6 6 ASP CB C 6 39.500 41.492 -1.992 1 1 67 . 13 1 1 A 6 6 ASP N N 6 114.600 117.366 -2.766 1 1 68 . 13 1 1 A 7 7 ILE H H 7 7.270 7.310 -0.040 1 1 69 . 13 1 1 A 7 7 ILE HA H 7 3.620 3.691 -0.071 1 1 79 . 13 1 1 A 7 7 ILE CA C 7 61.900 64.986 -3.086 1 1 80 . 13 1 1 A 7 7 ILE CB C 7 34.900 37.859 -2.959 1 1 84 . 13 1 1 A 7 7 ILE N N 7 121.700 119.343 2.357 1 1 85 . 13 1 1 A 8 8 LEU H H 8 6.960 8.295 -1.335 1 1 86 . 13 1 1 A 8 8 LEU HA H 8 3.710 3.821 -0.111 1 1 96 . 13 1 1 A 8 8 LEU CA C 8 57.800 58.203 -0.403 1 1 97 . 13 1 1 A 8 8 LEU CB C 8 39.900 41.342 -1.442 1 1 101 . 13 1 1 A 8 8 LEU N N 8 117.200 120.040 -2.840 1 1 102 . 13 1 1 A 9 9 ASP H H 9 8.220 8.488 -0.268 1 1 103 . 13 1 1 A 9 9 ASP HA H 9 4.330 4.272 0.058 1 1 106 . 13 1 1 A 9 9 ASP CA C 9 57.600 57.873 -0.273 1 1 107 . 13 1 1 A 9 9 ASP CB C 9 40.100 40.899 -0.799 1 1 108 . 13 1 1 A 9 9 ASP N N 9 117.600 119.238 -1.638 1 1 109 . 13 1 1 A 10 10 GLN H H 10 7.630 7.726 -0.096 1 1 110 . 13 1 1 A 10 10 GLN HA H 10 3.850 4.073 -0.223 1 1 117 . 13 1 1 A 10 10 GLN CA C 10 59.200 58.712 0.488 1 1 118 . 13 1 1 A 10 10 GLN CB C 10 29.300 28.517 0.783 1 1 120 . 13 1 1 A 10 10 GLN N N 10 118.700 118.038 0.662 1 1 122 . 13 1 1 A 11 11 ILE H H 11 7.590 8.128 -0.538 1 1 123 . 13 1 1 A 11 11 ILE HA H 11 2.960 3.627 -0.667 1 1 133 . 13 1 1 A 11 11 ILE CA C 11 65.800 65.531 0.269 1 1 134 . 13 1 1 A 11 11 ILE CB C 11 37.500 37.620 -0.120 1 1 138 . 13 1 1 A 11 11 ILE N N 11 121.700 121.432 0.268 1 1 139 . 13 1 1 A 12 12 ARG H H 12 7.720 8.084 -0.364 1 1 140 . 13 1 1 A 12 12 ARG HA H 12 3.610 3.982 -0.372 1 1 147 . 13 1 1 A 12 12 ARG CA C 12 61.300 59.709 1.591 1 1 148 . 13 1 1 A 12 12 ARG CB C 12 30.100 29.962 0.138 1 1 151 . 13 1 1 A 12 12 ARG N N 12 118.400 120.166 -1.766 1 1 152 . 13 1 1 A 13 13 VAL H H 13 8.480 7.964 0.516 1 1 153 . 13 1 1 A 13 13 VAL HA H 13 3.640 3.525 0.115 1 1 161 . 13 1 1 A 13 13 VAL CA C 13 66.400 66.439 -0.039 1 1 162 . 13 1 1 A 13 13 VAL CB C 13 31.600 31.523 0.077 1 1 165 . 13 1 1 A 13 13 VAL N N 13 118.400 119.729 -1.329 1 1 166 . 13 1 1 A 14 14 HIS H H 14 7.790 8.528 -0.738 1 1 167 . 13 1 1 A 14 14 HIS HA H 14 4.620 4.337 0.283 1 1 172 . 13 1 1 A 14 14 HIS CA C 14 57.500 58.087 -0.587 1 1 173 . 13 1 1 A 14 14 HIS CB C 14 31.100 28.398 2.702 1 1 176 . 13 1 1 A 14 14 HIS N N 14 119.600 117.401 2.199 1 1 177 . 13 1 1 A 15 15 GLY H H 15 8.290 8.287 0.003 1 1 178 . 13 1 1 A 15 15 GLY HA2 H 15 3.400 3.693 -0.293 1 1 179 . 13 1 1 A 15 15 GLY HA3 H 15 3.620 3.766 -0.146 1 1 180 . 13 1 1 A 15 15 GLY CA C 15 47.800 47.188 0.612 1 1 181 . 13 1 1 A 15 15 GLY N N 15 104.200 107.360 -3.160 1 1 182 . 13 1 1 A 16 16 ALA H H 16 8.650 7.431 1.219 1 1 183 . 13 1 1 A 16 16 ALA HA H 16 3.940 3.807 0.133 1 1 187 . 13 1 1 A 16 16 ALA CA C 16 55.500 54.429 1.071 1 1 188 . 13 1 1 A 16 16 ALA CB C 16 18.600 18.237 0.363 1 1 189 . 13 1 1 A 16 16 ALA N N 16 125.700 124.958 0.742 1 1 190 . 13 1 1 A 17 17 ASP H H 17 9.020 8.534 0.486 1 1 191 . 13 1 1 A 17 17 ASP HA H 17 4.420 4.389 0.031 1 1 194 . 13 1 1 A 17 17 ASP CA C 17 56.700 57.248 -0.548 1 1 195 . 13 1 1 A 17 17 ASP CB C 17 41.300 42.216 -0.916 1 1 196 . 13 1 1 A 17 17 ASP N N 17 119.300 119.289 0.011 1 1 197 . 13 1 1 A 18 18 ALA H H 18 8.210 7.388 0.822 1 1 198 . 13 1 1 A 18 18 ALA HA H 18 4.180 4.349 -0.169 1 1 202 . 13 1 1 A 18 18 ALA CA C 18 53.100 52.659 0.441 1 1 203 . 13 1 1 A 18 18 ALA CB C 18 19.000 19.605 -0.605 1 1 204 . 13 1 1 A 18 18 ALA N N 18 118.300 119.927 -1.627 1 1 205 . 13 1 1 A 19 19 TYR H H 19 7.080 7.633 -0.553 1 1 206 . 13 1 1 A 19 19 TYR HA H 19 4.190 4.710 -0.520 1 1 213 . 13 1 1 A 19 19 TYR CA C 19 58.300 57.313 0.987 1 1 214 . 13 1 1 A 19 19 TYR CB C 19 39.100 38.264 0.836 1 1 217 . 13 1 1 A 19 19 TYR N N 19 118.200 118.264 -0.064 1 1 218 . 13 1 1 A 20 20 PRO HA H 20 2.690 4.539 -1.849 1 1 225 . 13 1 1 A 20 20 PRO CA C 20 63.300 63.614 -0.314 1 1 226 . 13 1 1 A 20 20 PRO CB C 20 33.500 32.127 1.373 1 1 229 . 13 1 1 A 21 21 GLU H H 21 8.660 7.908 0.752 1 1 230 . 13 1 1 A 21 21 GLU HA H 21 4.420 4.415 0.005 1 1 235 . 13 1 1 A 21 21 GLU CA C 21 55.300 55.366 -0.066 1 1 236 . 13 1 1 A 21 21 GLU CB C 21 30.400 30.565 -0.165 1 1 238 . 13 1 1 A 21 21 GLU N N 21 124.800 120.083 4.717 1 1 239 . 13 1 1 A 22 22 GLU H H 22 8.290 8.318 -0.028 1 1 240 . 13 1 1 A 22 22 GLU HA H 22 3.990 4.325 -0.335 1 1 245 . 13 1 1 A 22 22 GLU CA C 22 56.400 56.532 -0.132 1 1 246 . 13 1 1 A 22 22 GLU CB C 22 30.900 29.680 1.220 1 1 248 . 13 1 1 A 22 22 GLU N N 22 119.700 121.019 -1.319 1 1 249 . 13 1 1 A 23 23 GLY H H 23 8.770 9.066 -0.296 1 1 250 . 13 1 1 A 23 23 GLY HA2 H 23 2.430 4.094 -1.664 1 1 251 . 13 1 1 A 23 23 GLY HA3 H 23 4.270 4.187 0.083 1 1 252 . 13 1 1 A 23 23 GLY CA C 23 42.900 45.973 -3.073 1 1 253 . 13 1 1 A 23 23 GLY N N 23 112.400 109.676 2.724 1 1 254 . 13 1 1 A 24 24 CYS H H 24 8.580 8.680 -0.100 1 1 255 . 13 1 1 A 24 24 CYS HA H 24 4.630 4.833 -0.203 1 1 258 . 13 1 1 A 24 24 CYS CA C 24 54.900 57.394 -2.494 1 1 259 . 13 1 1 A 24 24 CYS CB C 24 31.300 29.394 1.906 1 1 260 . 13 1 1 A 24 24 CYS N N 24 118.100 122.867 -4.767 1 1 261 . 13 1 1 A 25 25 GLY H H 25 6.730 7.113 -0.383 1 1 262 . 13 1 1 A 25 25 GLY HA2 H 25 3.650 3.677 -0.027 1 1 263 . 13 1 1 A 25 25 GLY HA3 H 25 4.030 3.715 0.315 1 1 264 . 13 1 1 A 25 25 GLY CA C 25 45.900 45.426 0.474 1 1 265 . 13 1 1 A 25 25 GLY N N 25 104.600 107.413 -2.813 1 1 266 . 13 1 1 A 26 26 PHE H H 26 9.350 8.540 0.810 1 1 267 . 13 1 1 A 26 26 PHE HA H 26 5.130 5.194 -0.064 1 1 275 . 13 1 1 A 26 26 PHE CA C 26 56.900 56.625 0.275 1 1 276 . 13 1 1 A 26 26 PHE CB C 26 43.300 42.714 0.586 1 1 280 . 13 1 1 A 26 26 PHE N N 26 114.900 119.028 -4.128 1 1 281 . 13 1 1 A 27 27 LEU H H 27 8.320 9.625 -1.305 1 1 282 . 13 1 1 A 27 27 LEU HA H 27 4.590 5.191 -0.601 1 1 292 . 13 1 1 A 27 27 LEU CA C 27 52.900 53.556 -0.656 1 1 293 . 13 1 1 A 27 27 LEU CB C 27 41.200 43.072 -1.872 1 1 297 . 13 1 1 A 27 27 LEU N N 27 119.100 122.850 -3.750 1 1 298 . 13 1 1 A 28 28 LEU H H 28 9.050 9.379 -0.329 1 1 299 . 13 1 1 A 28 28 LEU HA H 28 5.390 5.389 0.001 1 1 309 . 13 1 1 A 28 28 LEU CA C 28 51.900 53.143 -1.243 1 1 310 . 13 1 1 A 28 28 LEU CB C 28 42.900 44.473 -1.573 1 1 314 . 13 1 1 A 28 28 LEU N N 28 123.500 124.502 -1.002 1 1 315 . 13 1 1 A 29 29 GLY H H 29 9.950 8.374 1.576 1 1 316 . 13 1 1 A 29 29 GLY HA2 H 29 5.270 4.324 0.946 1 1 317 . 13 1 1 A 29 29 GLY HA3 H 29 3.900 4.326 -0.426 1 1 318 . 13 1 1 A 29 29 GLY CA C 29 46.700 46.242 0.458 1 1 319 . 13 1 1 A 29 29 GLY N N 29 112.400 109.633 2.767 1 1 320 . 13 1 1 A 30 30 THR H H 30 8.810 8.771 0.039 1 1 321 . 13 1 1 A 30 30 THR HA H 30 4.810 5.161 -0.351 1 1 326 . 13 1 1 A 30 30 THR CA C 30 59.900 59.402 0.498 1 1 327 . 13 1 1 A 30 30 THR CB C 30 72.200 71.650 0.550 1 1 329 . 13 1 1 A 30 30 THR N N 30 116.000 113.507 2.493 1 1 330 . 13 1 1 A 31 31 VAL H H 31 8.530 8.720 -0.190 1 1 331 . 13 1 1 A 31 31 VAL HA H 31 4.830 4.810 0.020 1 1 339 . 13 1 1 A 31 31 VAL CA C 31 61.900 61.565 0.335 1 1 340 . 13 1 1 A 31 31 VAL CB C 31 32.200 32.291 -0.091 1 1 343 . 13 1 1 A 31 31 VAL N N 31 124.200 122.546 1.654 1 1 344 . 13 1 1 A 32 32 THR H H 32 9.040 8.203 0.837 1 1 345 . 13 1 1 A 32 32 THR HA H 32 4.580 4.738 -0.158 1 1 350 . 13 1 1 A 32 32 THR CA C 32 61.200 60.941 0.259 1 1 351 . 13 1 1 A 32 32 THR CB C 32 70.700 70.626 0.074 1 1 353 . 13 1 1 A 32 32 THR N N 32 118.900 118.508 0.392 1 1 354 . 13 1 1 A 33 33 ASP H H 33 8.980 9.356 -0.376 1 1 355 . 13 1 1 A 33 33 ASP HA H 33 4.400 4.330 0.070 1 1 358 . 13 1 1 A 33 33 ASP CA C 33 56.800 55.367 1.433 1 1 359 . 13 1 1 A 33 33 ASP CB C 33 40.100 40.067 0.033 1 1 360 . 13 1 1 A 33 33 ASP N N 33 121.100 121.600 -0.500 1 1 361 . 13 1 1 A 34 34 ASP H H 34 7.960 8.526 -0.566 1 1 362 . 13 1 1 A 34 34 ASP HA H 34 4.640 4.290 0.350 1 1 365 . 13 1 1 A 34 34 ASP CA C 34 53.500 55.421 -1.921 1 1 366 . 13 1 1 A 34 34 ASP CB C 34 40.400 40.469 -0.069 1 1 367 . 13 1 1 A 34 34 ASP N N 34 115.400 117.765 -2.365 1 1 368 . 13 1 1 A 35 35 GLY H H 35 8.080 7.996 0.084 1 1 369 . 13 1 1 A 35 35 GLY HA2 H 35 3.590 4.066 -0.476 1 1 370 . 13 1 1 A 35 35 GLY HA3 H 35 4.200 4.069 0.131 1 1 371 . 13 1 1 A 35 35 GLY CA C 35 45.400 45.520 -0.120 1 1 372 . 13 1 1 A 35 35 GLY N N 35 108.400 105.210 3.190 1 1 373 . 13 1 1 A 36 36 ASP H H 36 7.690 7.932 -0.242 1 1 374 . 13 1 1 A 36 36 ASP HA H 36 4.790 5.213 -0.423 1 1 377 . 13 1 1 A 36 36 ASP CA C 36 51.900 52.563 -0.663 1 1 378 . 13 1 1 A 36 36 ASP CB C 36 42.300 45.003 -2.703 1 1 379 . 13 1 1 A 36 36 ASP N N 36 120.100 119.853 0.247 1 1 380 . 13 1 1 A 37 37 ASN H H 37 8.920 8.789 0.131 1 1 381 . 13 1 1 A 37 37 ASN HA H 37 5.180 5.600 -0.420 1 1 386 . 13 1 1 A 37 37 ASN CA C 37 52.900 51.667 1.233 1 1 387 . 13 1 1 A 37 37 ASN CB C 37 38.800 39.909 -1.109 1 1 388 . 13 1 1 A 37 37 ASN N N 37 119.000 118.026 0.974 1 1 390 . 13 1 1 A 38 38 ARG H H 38 9.480 8.984 0.496 1 1 391 . 13 1 1 A 38 38 ARG HA H 38 5.310 5.438 -0.128 1 1 398 . 13 1 1 A 38 38 ARG CA C 38 53.500 54.643 -1.143 1 1 399 . 13 1 1 A 38 38 ARG CB C 38 31.000 32.399 -1.399 1 1 402 . 13 1 1 A 38 38 ARG N N 38 126.900 125.084 1.816 1 1 403 . 13 1 1 A 39 39 VAL H H 39 8.810 8.730 0.080 1 1 404 . 13 1 1 A 39 39 VAL HA H 39 4.150 4.079 0.071 1 1 412 . 13 1 1 A 39 39 VAL CA C 39 62.800 63.401 -0.601 1 1 413 . 13 1 1 A 39 39 VAL CB C 39 33.100 31.642 1.458 1 1 416 . 13 1 1 A 39 39 VAL N N 39 125.700 127.687 -1.987 1 1 417 . 13 1 1 A 40 40 ALA H H 40 9.680 9.046 0.634 1 1 418 . 13 1 1 A 40 40 ALA HA H 40 4.690 4.597 0.093 1 1 422 . 13 1 1 A 40 40 ALA CA C 40 51.300 52.589 -1.289 1 1 423 . 13 1 1 A 40 40 ALA CB C 40 22.700 21.384 1.316 1 1 424 . 13 1 1 A 40 40 ALA N N 40 102.300 127.808 -25.508 1 1 425 . 13 1 1 A 41 41 ALA H H 41 8.370 8.082 0.288 1 1 426 . 13 1 1 A 41 41 ALA HA H 41 4.530 4.904 -0.374 1 1 430 . 13 1 1 A 41 41 ALA CA C 41 51.700 50.866 0.834 1 1 431 . 13 1 1 A 41 41 ALA CB C 41 22.200 23.037 -0.837 1 1 432 . 13 1 1 A 41 41 ALA N N 41 120.200 118.079 2.121 1 1 433 . 13 1 1 A 42 42 LEU H H 42 8.690 8.581 0.109 1 1 434 . 13 1 1 A 42 42 LEU HA H 42 5.320 5.316 0.004 1 1 444 . 13 1 1 A 42 42 LEU CA C 42 53.500 53.687 -0.187 1 1 445 . 13 1 1 A 42 42 LEU CB C 42 46.300 44.901 1.399 1 1 449 . 13 1 1 A 42 42 LEU N N 42 118.300 120.730 -2.430 1 1 450 . 13 1 1 A 43 43 HIS H H 43 8.820 8.818 0.002 1 1 451 . 13 1 1 A 43 43 HIS HA H 43 4.870 5.279 -0.409 1 1 456 . 13 1 1 A 43 43 HIS CA C 43 56.300 54.742 1.558 1 1 457 . 13 1 1 A 43 43 HIS CB C 43 34.200 33.182 1.018 1 1 460 . 13 1 1 A 43 43 HIS N N 43 120.700 124.187 -3.487 1 1 461 . 13 1 1 A 44 44 ARG H H 44 8.580 8.335 0.245 1 1 462 . 13 1 1 A 44 44 ARG HA H 44 4.420 4.330 0.090 1 1 469 . 13 1 1 A 44 44 ARG CA C 44 57.400 55.861 1.539 1 1 470 . 13 1 1 A 44 44 ARG CB C 44 31.100 30.703 0.397 1 1 473 . 13 1 1 A 44 44 ARG N N 44 128.300 124.036 4.264 1 1 474 . 13 1 1 A 45 45 ALA H H 45 8.580 8.039 0.541 1 1 475 . 13 1 1 A 45 45 ALA HA H 45 4.720 4.793 -0.073 1 1 479 . 13 1 1 A 45 45 ALA CA C 45 51.500 51.942 -0.442 1 1 480 . 13 1 1 A 45 45 ALA CB C 45 20.200 18.131 2.069 1 1 481 . 13 1 1 A 45 45 ALA N N 45 125.700 125.564 0.136 1 1 482 . 13 1 1 A 46 46 THR H H 46 8.250 8.186 0.064 1 1 483 . 13 1 1 A 46 46 THR HA H 46 4.270 4.781 -0.511 1 1 488 . 13 1 1 A 46 46 THR CA C 46 62.000 61.030 0.970 1 1 489 . 13 1 1 A 46 46 THR CB C 46 69.900 70.293 -0.393 1 1 491 . 13 1 1 A 46 46 THR N N 46 115.500 116.111 -0.611 1 1 492 . 13 1 1 A 47 47 ASN H H 47 8.590 8.766 -0.176 1 1 493 . 13 1 1 A 47 47 ASN HA H 47 4.620 5.573 -0.953 1 1 498 . 13 1 1 A 47 47 ASN CA C 47 53.400 52.023 1.377 1 1 499 . 13 1 1 A 47 47 ASN CB C 47 38.400 40.132 -1.732 1 1 500 . 13 1 1 A 47 47 ASN N N 47 122.400 121.716 0.684 1 1 502 . 13 1 1 A 50 50 SER H H 50 8.480 8.871 -0.391 1 1 503 . 13 1 1 A 50 50 SER HA H 50 4.400 4.202 0.198 1 1 506 . 13 1 1 A 50 50 SER CA C 50 58.900 59.289 -0.389 1 1 507 . 13 1 1 A 50 50 SER CB C 50 63.600 63.016 0.584 1 1 508 . 13 1 1 A 50 50 SER N N 50 116.600 117.366 -0.766 1 1 509 . 13 1 1 A 51 51 GLU H H 51 8.510 8.075 0.435 1 1 510 . 13 1 1 A 51 51 GLU HA H 51 4.300 4.685 -0.385 1 1 515 . 13 1 1 A 51 51 GLU CA C 51 56.800 59.443 -2.643 1 1 516 . 13 1 1 A 51 51 GLU CB C 51 29.900 29.514 0.386 1 1 518 . 13 1 1 A 51 51 GLU N N 51 121.800 119.622 2.178 1 1 519 . 13 1 1 A 52 52 GLN H H 52 8.300 7.929 0.371 1 1 520 . 13 1 1 A 52 52 GLN HA H 52 4.310 4.588 -0.278 1 1 527 . 13 1 1 A 52 52 GLN CA C 52 55.900 54.573 1.327 1 1 528 . 13 1 1 A 52 52 GLN CB C 52 29.000 26.640 2.360 1 1 530 . 13 1 1 A 52 52 GLN N N 52 119.500 118.607 0.893 1 1 532 . 13 1 1 A 53 53 ARG H H 53 8.350 8.840 -0.490 1 1 533 . 13 1 1 A 53 53 ARG HA H 53 4.310 4.406 -0.096 1 1 540 . 13 1 1 A 53 53 ARG CA C 53 56.800 57.408 -0.608 1 1 541 . 13 1 1 A 53 53 ARG CB C 53 30.700 31.634 -0.934 1 1 544 . 13 1 1 A 53 53 ARG N N 53 121.000 125.051 -4.051 1 1 545 . 13 1 1 A 54 54 THR H H 54 8.140 7.898 0.242 1 1 546 . 13 1 1 A 54 54 THR HA H 54 4.340 5.058 -0.718 1 1 551 . 13 1 1 A 54 54 THR CA C 54 61.900 60.964 0.936 1 1 552 . 13 1 1 A 54 54 THR CB C 54 69.600 72.301 -2.701 1 1 554 . 13 1 1 A 54 54 THR N N 54 113.100 111.735 1.365 1 1 555 . 13 1 1 A 64 64 TYR H H 64 8.220 9.081 -0.861 1 1 556 . 13 1 1 A 64 64 TYR HA H 64 3.360 3.390 -0.030 1 1 563 . 13 1 1 A 64 64 TYR CA C 64 61.600 62.286 -0.686 1 1 564 . 13 1 1 A 64 64 TYR CB C 64 37.700 38.977 -1.277 1 1 567 . 13 1 1 A 64 64 TYR N N 64 120.700 125.325 -4.625 1 1 568 . 13 1 1 A 65 65 ARG H H 65 8.340 8.547 -0.207 1 1 569 . 13 1 1 A 65 65 ARG HA H 65 3.930 3.734 0.196 1 1 576 . 13 1 1 A 65 65 ARG CA C 65 59.600 59.554 0.046 1 1 577 . 13 1 1 A 65 65 ARG CB C 65 30.100 30.051 0.049 1 1 580 . 13 1 1 A 65 65 ARG N N 65 119.200 118.259 0.941 1 1 581 . 13 1 1 A 66 66 ALA H H 66 7.790 7.881 -0.091 1 1 582 . 13 1 1 A 66 66 ALA HA H 66 4.090 4.067 0.023 1 1 586 . 13 1 1 A 66 66 ALA CA C 66 54.700 54.819 -0.119 1 1 587 . 13 1 1 A 66 66 ALA CB C 66 18.100 18.193 -0.093 1 1 588 . 13 1 1 A 66 66 ALA N N 66 121.900 121.868 0.032 1 1 589 . 13 1 1 A 67 67 ALA H H 67 7.550 7.993 -0.443 1 1 590 . 13 1 1 A 67 67 ALA HA H 67 2.940 3.694 -0.754 1 1 594 . 13 1 1 A 67 67 ALA CA C 67 54.300 54.882 -0.582 1 1 595 . 13 1 1 A 67 67 ALA CB C 67 18.000 17.186 0.814 1 1 596 . 13 1 1 A 67 67 ALA N N 67 123.000 119.690 3.310 1 1 597 . 13 1 1 A 68 68 ASP H H 68 8.320 8.432 -0.112 1 1 598 . 13 1 1 A 68 68 ASP HA H 68 4.100 4.084 0.016 1 1 601 . 13 1 1 A 68 68 ASP CA C 68 56.800 56.201 0.599 1 1 602 . 13 1 1 A 68 68 ASP CB C 68 41.400 40.712 0.688 1 1 603 . 13 1 1 A 68 68 ASP N N 68 118.100 118.320 -0.220 1 1 604 . 13 1 1 A 69 69 ALA H H 69 7.790 8.242 -0.452 1 1 605 . 13 1 1 A 69 69 ALA HA H 69 4.010 4.047 -0.037 1 1 609 . 13 1 1 A 69 69 ALA CA C 69 55.000 54.589 0.411 1 1 610 . 13 1 1 A 69 69 ALA CB C 69 17.600 18.380 -0.780 1 1 611 . 13 1 1 A 69 69 ALA N N 69 121.200 120.688 0.512 1 1 612 . 13 1 1 A 70 70 ALA H H 70 7.490 8.150 -0.660 1 1 613 . 13 1 1 A 70 70 ALA HA H 70 4.070 4.127 -0.057 1 1 617 . 13 1 1 A 70 70 ALA CA C 70 54.500 54.844 -0.344 1 1 618 . 13 1 1 A 70 70 ALA CB C 70 17.900 18.306 -0.406 1 1 619 . 13 1 1 A 70 70 ALA N N 70 121.200 119.630 1.570 1 1 620 . 13 1 1 A 71 71 ALA H H 71 8.620 8.019 0.601 1 1 621 . 13 1 1 A 71 71 ALA HA H 71 3.660 3.936 -0.276 1 1 625 . 13 1 1 A 71 71 ALA CA C 71 55.300 55.297 0.003 1 1 626 . 13 1 1 A 71 71 ALA CB C 71 17.800 18.057 -0.257 1 1 627 . 13 1 1 A 71 71 ALA N N 71 121.600 120.373 1.227 1 1 628 . 13 1 1 A 72 72 GLN H H 72 8.700 8.288 0.412 1 1 629 . 13 1 1 A 72 72 GLN HA H 72 4.080 4.020 0.060 1 1 636 . 13 1 1 A 72 72 GLN CA C 72 59.000 58.870 0.130 1 1 637 . 13 1 1 A 72 72 GLN CB C 72 28.000 28.375 -0.375 1 1 639 . 13 1 1 A 72 72 GLN N N 72 118.600 117.106 1.494 1 1 641 . 13 1 1 A 73 73 GLU H H 73 7.640 8.587 -0.947 1 1 642 . 13 1 1 A 73 73 GLU HA H 73 4.080 3.995 0.085 1 1 647 . 13 1 1 A 73 73 GLU CA C 73 58.800 59.176 -0.376 1 1 648 . 13 1 1 A 73 73 GLU CB C 73 29.600 29.431 0.169 1 1 650 . 13 1 1 A 73 73 GLU N N 73 119.000 120.554 -1.554 1 1 651 . 13 1 1 A 74 74 GLN H H 74 7.400 7.670 -0.270 1 1 652 . 13 1 1 A 74 74 GLN HA H 74 4.470 4.365 0.105 1 1 659 . 13 1 1 A 74 74 GLN CA C 74 55.000 55.395 -0.395 1 1 660 . 13 1 1 A 74 74 GLN CB C 74 30.900 28.833 2.067 1 1 662 . 13 1 1 A 74 74 GLN N N 74 114.600 116.538 -1.938 1 1 664 . 13 1 1 A 75 75 GLY H H 75 7.830 8.219 -0.389 1 1 665 . 13 1 1 A 75 75 GLY HA2 H 75 3.950 3.948 0.002 1 1 666 . 13 1 1 A 75 75 GLY HA3 H 75 3.870 3.952 -0.082 1 1 667 . 13 1 1 A 75 75 GLY CA C 75 46.500 46.344 0.156 1 1 668 . 13 1 1 A 75 75 GLY N N 75 109.300 108.750 0.550 1 1 669 . 13 1 1 A 76 76 LEU H H 76 8.110 8.246 -0.136 1 1 670 . 13 1 1 A 76 76 LEU HA H 76 4.650 4.882 -0.232 1 1 680 . 13 1 1 A 76 76 LEU CA C 76 52.500 52.999 -0.499 1 1 681 . 13 1 1 A 76 76 LEU CB C 76 45.700 44.951 0.749 1 1 685 . 13 1 1 A 76 76 LEU N N 76 119.300 120.900 -1.600 1 1 686 . 13 1 1 A 77 77 ASP H H 77 8.990 9.378 -0.388 1 1 687 . 13 1 1 A 77 77 ASP HA H 77 5.120 5.188 -0.068 1 1 690 . 13 1 1 A 77 77 ASP CA C 77 52.600 52.334 0.266 1 1 691 . 13 1 1 A 77 77 ASP CB C 77 44.600 44.426 0.174 1 1 692 . 13 1 1 A 77 77 ASP N N 77 117.600 118.938 -1.338 1 1 693 . 13 1 1 A 78 78 VAL H H 78 9.070 8.924 0.146 1 1 694 . 13 1 1 A 78 78 VAL HA H 78 4.090 4.167 -0.077 1 1 702 . 13 1 1 A 78 78 VAL CA C 78 63.900 63.177 0.723 1 1 703 . 13 1 1 A 78 78 VAL CB C 78 30.900 31.287 -0.387 1 1 706 . 13 1 1 A 78 78 VAL N N 78 121.900 121.289 0.611 1 1 707 . 13 1 1 A 79 79 VAL H H 79 8.360 8.884 -0.524 1 1 708 . 13 1 1 A 79 79 VAL HA H 79 4.300 4.251 0.049 1 1 716 . 13 1 1 A 79 79 VAL CA C 79 59.500 62.317 -2.817 1 1 717 . 13 1 1 A 79 79 VAL CB C 79 32.600 32.602 -0.002 1 1 720 . 13 1 1 A 79 79 VAL N N 79 116.700 122.204 -5.504 1 1 721 . 13 1 1 A 80 80 GLY H H 80 6.970 7.163 -0.193 1 1 722 . 13 1 1 A 80 80 GLY HA2 H 80 4.380 4.199 0.181 1 1 723 . 13 1 1 A 80 80 GLY HA3 H 80 3.550 4.337 -0.787 1 1 724 . 13 1 1 A 80 80 GLY CA C 80 46.900 46.062 0.838 1 1 725 . 13 1 1 A 80 80 GLY N N 80 106.200 108.813 -2.613 1 1 726 . 13 1 1 A 81 81 VAL H H 81 8.510 8.480 0.030 1 1 727 . 13 1 1 A 81 81 VAL HA H 81 4.900 5.040 -0.140 1 1 735 . 13 1 1 A 81 81 VAL CA C 81 59.400 60.475 -1.075 1 1 736 . 13 1 1 A 81 81 VAL CB C 81 37.600 35.786 1.814 1 1 739 . 13 1 1 A 81 81 VAL N N 81 116.200 119.189 -2.989 1 1 740 . 13 1 1 A 82 82 TYR H H 82 8.370 8.481 -0.111 1 1 741 . 13 1 1 A 82 82 TYR HA H 82 6.000 6.234 -0.234 1 1 748 . 13 1 1 A 82 82 TYR CA C 82 54.900 55.476 -0.576 1 1 749 . 13 1 1 A 82 82 TYR CB C 82 42.800 42.192 0.608 1 1 752 . 13 1 1 A 82 82 TYR N N 82 118.100 121.030 -2.930 1 1 753 . 13 1 1 A 83 83 HIS H H 83 8.520 9.373 -0.853 1 1 754 . 13 1 1 A 83 83 HIS HA H 83 5.150 5.269 -0.119 1 1 759 . 13 1 1 A 83 83 HIS CA C 83 54.900 54.424 0.476 1 1 760 . 13 1 1 A 83 83 HIS CB C 83 33.200 33.623 -0.423 1 1 763 . 13 1 1 A 83 83 HIS N N 83 115.400 119.162 -3.762 1 1 764 . 13 1 1 A 84 84 SER H H 84 9.060 8.834 0.226 1 1 765 . 13 1 1 A 84 84 SER HA H 84 5.590 5.300 0.290 1 1 768 . 13 1 1 A 84 84 SER CA C 84 55.800 58.098 -2.298 1 1 769 . 13 1 1 A 84 84 SER CB C 84 65.500 65.039 0.461 1 1 770 . 13 1 1 A 84 84 SER N N 84 117.100 118.199 -1.099 1 1 771 . 13 1 1 A 85 85 HIS H H 85 8.980 8.914 0.066 1 1 772 . 13 1 1 A 85 85 HIS HA H 85 4.830 5.327 -0.497 1 1 777 . 13 1 1 A 85 85 HIS CA C 85 50.400 53.254 -2.854 1 1 778 . 13 1 1 A 85 85 HIS CB C 85 32.000 30.317 1.683 1 1 781 . 13 1 1 A 85 85 HIS N N 85 117.600 123.920 -6.320 1 1 782 . 13 1 1 A 86 86 PRO HA H 86 5.080 4.562 0.518 1 1 789 . 13 1 1 A 86 86 PRO CA C 86 62.400 63.927 -1.527 1 1 790 . 13 1 1 A 86 86 PRO CB C 86 32.400 32.742 -0.342 1 1 793 . 13 1 1 A 87 87 ASP H H 87 10.300 8.177 2.123 1 1 794 . 13 1 1 A 87 87 ASP HA H 87 4.320 4.429 -0.109 1 1 797 . 13 1 1 A 87 87 ASP CA C 87 56.600 56.178 0.422 1 1 798 . 13 1 1 A 87 87 ASP CB C 87 39.600 42.308 -2.708 1 1 799 . 13 1 1 A 87 87 ASP N N 87 123.100 118.129 4.971 1 1 800 . 13 1 1 A 88 88 HIS H H 88 7.500 7.612 -0.112 1 1 801 . 13 1 1 A 88 88 HIS HA H 88 5.050 4.972 0.078 1 1 806 . 13 1 1 A 88 88 HIS CA C 88 54.700 53.815 0.885 1 1 807 . 13 1 1 A 88 88 HIS CB C 88 32.400 32.810 -0.410 1 1 810 . 13 1 1 A 88 88 HIS N N 88 115.000 113.537 1.463 1 1 811 . 13 1 1 A 89 89 PRO HA H 89 4.370 4.599 -0.229 1 1 818 . 13 1 1 A 89 89 PRO CA C 89 62.700 62.487 0.213 1 1 819 . 13 1 1 A 89 89 PRO CB C 89 31.600 33.496 -1.896 1 1 822 . 13 1 1 A 90 90 ALA H H 90 8.020 8.513 -0.493 1 1 823 . 13 1 1 A 90 90 ALA HA H 90 4.290 4.350 -0.060 1 1 827 . 13 1 1 A 90 90 ALA CA C 90 50.800 52.857 -2.057 1 1 828 . 13 1 1 A 90 90 ALA CB C 90 16.600 19.299 -2.699 1 1 829 . 13 1 1 A 90 90 ALA N N 90 125.800 120.586 5.214 1 1 830 . 13 1 1 A 91 91 ARG H H 91 7.990 7.625 0.365 1 1 831 . 13 1 1 A 91 91 ARG HA H 91 4.300 4.558 -0.258 1 1 838 . 13 1 1 A 91 91 ARG CA C 91 53.100 53.006 0.094 1 1 839 . 13 1 1 A 91 91 ARG CB C 91 31.800 30.537 1.263 1 1 842 . 13 1 1 A 91 91 ARG N N 91 121.900 118.121 3.779 1 1 843 . 13 1 1 A 92 92 PRO HA H 92 4.070 4.236 -0.166 1 1 850 . 13 1 1 A 92 92 PRO CA C 92 62.300 62.751 -0.451 1 1 851 . 13 1 1 A 92 92 PRO CB C 92 32.500 31.294 1.206 1 1 854 . 13 1 1 A 93 93 SER H H 93 9.960 8.476 1.484 1 1 855 . 13 1 1 A 93 93 SER HA H 93 4.630 4.651 -0.021 1 1 858 . 13 1 1 A 93 93 SER CA C 93 56.300 57.106 -0.806 1 1 859 . 13 1 1 A 93 93 SER CB C 93 66.500 64.716 1.784 1 1 860 . 13 1 1 A 93 93 SER N N 93 121.800 117.290 4.510 1 1 861 . 13 1 1 A 94 94 ALA H H 94 8.880 8.876 0.004 1 1 862 . 13 1 1 A 94 94 ALA HA H 94 4.130 3.962 0.168 1 1 866 . 13 1 1 A 94 94 ALA CA C 94 55.400 55.561 -0.161 1 1 867 . 13 1 1 A 94 94 ALA CB C 94 18.000 18.209 -0.209 1 1 868 . 13 1 1 A 94 94 ALA N N 94 123.100 124.144 -1.044 1 1 869 . 13 1 1 A 95 95 THR H H 95 7.870 8.038 -0.168 1 1 870 . 13 1 1 A 95 95 THR HA H 95 3.920 3.947 -0.027 1 1 875 . 13 1 1 A 95 95 THR CA C 95 65.700 65.539 0.161 1 1 876 . 13 1 1 A 95 95 THR CB C 95 68.400 68.318 0.082 1 1 878 . 13 1 1 A 95 95 THR N N 95 114.300 111.137 3.163 1 1 879 . 13 1 1 A 96 96 ASP H H 96 7.420 8.041 -0.621 1 1 880 . 13 1 1 A 96 96 ASP HA H 96 4.230 4.271 -0.041 1 1 883 . 13 1 1 A 96 96 ASP CA C 96 57.400 57.087 0.313 1 1 884 . 13 1 1 A 96 96 ASP CB C 96 40.100 40.272 -0.172 1 1 885 . 13 1 1 A 96 96 ASP N N 96 121.000 123.204 -2.204 1 1 886 . 13 1 1 A 97 97 LEU H H 97 7.490 8.364 -0.874 1 1 887 . 13 1 1 A 97 97 LEU HA H 97 4.000 4.259 -0.259 1 1 897 . 13 1 1 A 97 97 LEU CA C 97 57.600 58.094 -0.494 1 1 898 . 13 1 1 A 97 97 LEU CB C 97 41.400 41.697 -0.297 1 1 902 . 13 1 1 A 97 97 LEU N N 97 118.900 121.560 -2.660 1 1 903 . 13 1 1 A 98 98 GLU H H 98 7.690 8.664 -0.974 1 1 904 . 13 1 1 A 98 98 GLU HA H 98 3.900 4.087 -0.187 1 1 909 . 13 1 1 A 98 98 GLU CA C 98 58.700 59.335 -0.635 1 1 910 . 13 1 1 A 98 98 GLU CB C 98 29.600 29.275 0.325 1 1 912 . 13 1 1 A 98 98 GLU N N 98 119.100 117.790 1.310 1 1 913 . 13 1 1 A 99 99 GLU H H 99 7.500 7.768 -0.268 1 1 914 . 13 1 1 A 99 99 GLU HA H 99 4.200 4.537 -0.337 1 1 919 . 13 1 1 A 99 99 GLU CA C 99 56.100 56.332 -0.232 1 1 920 . 13 1 1 A 99 99 GLU CB C 99 30.000 30.124 -0.124 1 1 922 . 13 1 1 A 99 99 GLU N N 99 114.300 117.657 -3.357 1 1 923 . 13 1 1 A 100 100 ALA H H 100 7.400 7.351 0.049 1 1 924 . 13 1 1 A 100 100 ALA HA H 100 4.620 4.882 -0.262 1 1 928 . 13 1 1 A 100 100 ALA CA C 100 52.000 50.593 1.407 1 1 929 . 13 1 1 A 100 100 ALA CB C 100 18.100 19.625 -1.525 1 1 930 . 13 1 1 A 100 100 ALA N N 100 125.900 124.062 1.838 1 1 931 . 13 1 1 A 101 101 THR H H 101 7.790 8.971 -1.181 1 1 932 . 13 1 1 A 101 101 THR HA H 101 4.050 4.512 -0.462 1 1 937 . 13 1 1 A 101 101 THR CA C 101 61.200 61.544 -0.344 1 1 938 . 13 1 1 A 101 101 THR CB C 101 68.900 70.995 -2.095 1 1 940 . 13 1 1 A 101 101 THR N N 101 111.700 120.145 -8.445 1 1 941 . 13 1 1 A 102 102 PHE H H 102 7.320 7.867 -0.547 1 1 942 . 13 1 1 A 102 102 PHE HA H 102 4.750 5.045 -0.295 1 1 950 . 13 1 1 A 102 102 PHE CA C 102 54.300 55.136 -0.836 1 1 951 . 13 1 1 A 102 102 PHE CB C 102 38.200 38.861 -0.661 1 1 955 . 13 1 1 A 102 102 PHE N N 102 120.200 121.015 -0.815 1 1 956 . 13 1 1 A 103 103 PRO HA H 103 4.480 4.737 -0.257 1 1 963 . 13 1 1 A 103 103 PRO CA C 103 64.100 62.636 1.464 1 1 964 . 13 1 1 A 103 103 PRO CB C 103 32.000 29.443 2.557 1 1 967 . 13 1 1 A 104 104 GLY H H 104 8.920 8.063 0.857 1 1 968 . 13 1 1 A 104 104 GLY HA2 H 104 4.270 4.208 0.062 1 1 969 . 13 1 1 A 104 104 GLY HA3 H 104 4.160 4.216 -0.056 1 1 970 . 13 1 1 A 104 104 GLY CA C 104 45.600 45.473 0.127 1 1 971 . 13 1 1 A 104 104 GLY N N 104 109.600 111.795 -2.195 1 1 972 . 13 1 1 A 105 105 PHE H H 105 7.250 8.477 -1.227 1 1 973 . 13 1 1 A 105 105 PHE HA H 105 4.930 5.167 -0.237 1 1 981 . 13 1 1 A 105 105 PHE CA C 105 54.900 56.484 -1.584 1 1 982 . 13 1 1 A 105 105 PHE CB C 105 39.400 43.114 -3.714 1 1 986 . 13 1 1 A 105 105 PHE N N 105 120.100 118.209 1.891 1 1 987 . 13 1 1 A 106 106 THR H H 106 8.110 8.873 -0.763 1 1 988 . 13 1 1 A 106 106 THR HA H 106 4.840 4.879 -0.039 1 1 993 . 13 1 1 A 106 106 THR CA C 106 64.400 62.430 1.970 1 1 994 . 13 1 1 A 106 106 THR CB C 106 70.500 69.579 0.921 1 1 996 . 13 1 1 A 106 106 THR N N 106 118.600 117.316 1.284 1 1 997 . 13 1 1 A 107 107 TYR H H 107 9.660 9.937 -0.277 1 1 998 . 13 1 1 A 107 107 TYR HA H 107 5.150 5.516 -0.366 1 1 1005 . 13 1 1 A 107 107 TYR CA C 107 56.900 57.269 -0.369 1 1 1006 . 13 1 1 A 107 107 TYR CB C 107 38.900 39.322 -0.422 1 1 1009 . 13 1 1 A 107 107 TYR N N 107 126.600 127.818 -1.218 1 1 1010 . 13 1 1 A 108 108 VAL H H 108 9.270 9.622 -0.352 1 1 1011 . 13 1 1 A 108 108 VAL HA H 108 5.220 4.775 0.445 1 1 1019 . 13 1 1 A 108 108 VAL CA C 108 60.800 62.358 -1.558 1 1 1020 . 13 1 1 A 108 108 VAL CB C 108 33.500 32.555 0.945 1 1 1023 . 13 1 1 A 108 108 VAL N N 108 124.400 124.689 -0.289 1 1 1024 . 13 1 1 A 109 109 ILE H H 109 9.300 9.441 -0.141 1 1 1025 . 13 1 1 A 109 109 ILE HA H 109 5.150 4.955 0.195 1 1 1035 . 13 1 1 A 109 109 ILE CA C 109 58.000 59.875 -1.875 1 1 1036 . 13 1 1 A 109 109 ILE CB C 109 39.600 40.344 -0.744 1 1 1040 . 13 1 1 A 109 109 ILE N N 109 128.500 128.504 -0.004 1 1 1041 . 13 1 1 A 110 110 VAL H H 110 7.910 8.743 -0.833 1 1 1042 . 13 1 1 A 110 110 VAL HA H 110 5.650 5.185 0.465 1 1 1050 . 13 1 1 A 110 110 VAL CA C 110 56.800 59.664 -2.864 1 1 1051 . 13 1 1 A 110 110 VAL CB C 110 35.400 34.147 1.253 1 1 1054 . 13 1 1 A 110 110 VAL N N 110 122.600 129.378 -6.778 1 1 1055 . 13 1 1 A 111 111 SER H H 111 9.390 9.367 0.023 1 1 1056 . 13 1 1 A 111 111 SER HA H 111 4.850 4.876 -0.026 1 1 1059 . 13 1 1 A 111 111 SER CA C 111 57.700 57.117 0.583 1 1 1060 . 13 1 1 A 111 111 SER CB C 111 64.500 63.563 0.937 1 1 1061 . 13 1 1 A 111 111 SER N N 111 124.700 125.060 -0.360 1 1 1062 . 13 1 1 A 112 112 VAL H H 112 7.850 9.343 -1.493 1 1 1063 . 13 1 1 A 112 112 VAL HA H 112 4.530 4.901 -0.371 1 1 1071 . 13 1 1 A 112 112 VAL CA C 112 61.000 61.341 -0.341 1 1 1072 . 13 1 1 A 112 112 VAL CB C 112 33.800 33.253 0.547 1 1 1075 . 13 1 1 A 112 112 VAL N N 112 126.100 128.140 -2.040 1 1 1076 . 13 1 1 A 113 113 ARG H H 113 8.620 9.084 -0.464 1 1 1077 . 13 1 1 A 113 113 ARG HA H 113 5.020 4.724 0.296 1 1 1084 . 13 1 1 A 113 113 ARG CA C 113 54.100 54.489 -0.389 1 1 1085 . 13 1 1 A 113 113 ARG CB C 113 31.500 29.909 1.591 1 1 1088 . 13 1 1 A 113 113 ARG N N 113 128.800 126.664 2.136 1 1 1089 . 13 1 1 A 114 114 ASP H H 114 9.650 9.242 0.408 1 1 1090 . 13 1 1 A 114 114 ASP HA H 114 4.370 4.453 -0.083 1 1 1093 . 13 1 1 A 114 114 ASP CA C 114 55.100 55.072 0.028 1 1 1094 . 13 1 1 A 114 114 ASP CB C 114 39.800 40.251 -0.451 1 1 1095 . 13 1 1 A 114 114 ASP N N 114 128.100 124.046 4.054 1 1 1096 . 13 1 1 A 115 115 GLY H H 115 8.350 7.720 0.630 1 1 1097 . 13 1 1 A 115 115 GLY HA2 H 115 3.980 3.552 0.428 1 1 1098 . 13 1 1 A 115 115 GLY HA3 H 115 2.460 3.739 -1.279 1 1 1099 . 13 1 1 A 115 115 GLY CA C 115 45.500 44.864 0.636 1 1 1100 . 13 1 1 A 115 115 GLY N N 115 109.900 104.648 5.252 1 1 1101 . 13 1 1 A 116 116 ALA H H 116 7.610 7.599 0.011 1 1 1102 . 13 1 1 A 116 116 ALA HA H 116 4.920 4.497 0.423 1 1 1106 . 13 1 1 A 116 116 ALA CA C 116 48.200 49.537 -1.337 1 1 1107 . 13 1 1 A 116 116 ALA CB C 116 19.600 19.853 -0.253 1 1 1108 . 13 1 1 A 116 116 ALA N N 116 123.900 124.141 -0.241 1 1 1109 . 13 1 1 A 117 117 PRO HA H 117 4.670 4.645 0.025 1 1 1116 . 13 1 1 A 117 117 PRO CA C 117 62.900 62.603 0.297 1 1 1117 . 13 1 1 A 117 117 PRO CB C 117 31.500 31.540 -0.040 1 1 1120 . 13 1 1 A 118 118 GLU H H 118 8.900 9.121 -0.221 1 1 1121 . 13 1 1 A 118 118 GLU HA H 118 4.540 4.378 0.162 1 1 1126 . 13 1 1 A 118 118 GLU CA C 118 56.200 58.434 -2.234 1 1 1127 . 13 1 1 A 118 118 GLU CB C 118 30.500 30.604 -0.104 1 1 1129 . 13 1 1 A 118 118 GLU N N 118 127.400 124.143 3.257 1 1 1130 . 13 1 1 A 119 119 ALA H H 119 8.060 7.584 0.476 1 1 1131 . 13 1 1 A 119 119 ALA HA H 119 4.460 4.801 -0.341 1 1 1135 . 13 1 1 A 119 119 ALA CA C 119 52.600 50.837 1.763 1 1 1136 . 13 1 1 A 119 119 ALA CB C 119 21.000 21.945 -0.945 1 1 1137 . 13 1 1 A 119 119 ALA N N 119 123.500 120.233 3.267 1 1 1138 . 13 1 1 A 120 120 LEU H H 120 8.170 8.885 -0.715 1 1 1139 . 13 1 1 A 120 120 LEU HA H 120 5.400 5.147 0.253 1 1 1149 . 13 1 1 A 120 120 LEU CA C 120 55.000 53.389 1.611 1 1 1150 . 13 1 1 A 120 120 LEU CB C 120 45.300 44.608 0.692 1 1 1154 . 13 1 1 A 120 120 LEU N N 120 123.500 125.592 -2.092 1 1 1155 . 13 1 1 A 121 121 THR H H 121 9.450 8.698 0.752 1 1 1156 . 13 1 1 A 121 121 THR HA H 121 4.520 4.895 -0.375 1 1 1161 . 13 1 1 A 121 121 THR CA C 121 58.700 61.013 -2.313 1 1 1162 . 13 1 1 A 121 121 THR CB C 121 72.100 72.643 -0.543 1 1 1164 . 13 1 1 A 121 121 THR N N 121 117.400 123.021 -5.621 1 1 1165 . 13 1 1 A 122 122 ALA H H 122 8.620 8.654 -0.034 1 1 1166 . 13 1 1 A 122 122 ALA HA H 122 5.370 5.466 -0.096 1 1 1170 . 13 1 1 A 122 122 ALA CA C 122 50.400 50.109 0.291 1 1 1171 . 13 1 1 A 122 122 ALA CB C 122 21.900 22.887 -0.987 1 1 1172 . 13 1 1 A 122 122 ALA N N 122 123.400 124.080 -0.680 1 1 1173 . 13 1 1 A 123 123 TRP H H 123 8.740 9.518 -0.778 1 1 1174 . 13 1 1 A 123 123 TRP HA H 123 5.090 5.605 -0.515 1 1 1183 . 13 1 1 A 123 123 TRP CA C 123 56.700 56.550 0.150 1 1 1184 . 13 1 1 A 123 123 TRP CB C 123 33.300 33.527 -0.227 1 1 1190 . 13 1 1 A 123 123 TRP N N 123 118.700 120.546 -1.846 1 1 1192 . 13 1 1 A 124 124 ALA H H 124 9.570 9.659 -0.089 1 1 1193 . 13 1 1 A 124 124 ALA HA H 124 5.360 5.461 -0.101 1 1 1197 . 13 1 1 A 124 124 ALA CA C 124 50.300 50.540 -0.240 1 1 1198 . 13 1 1 A 124 124 ALA CB C 124 22.600 20.634 1.966 1 1 1199 . 13 1 1 A 124 124 ALA N N 124 123.200 126.090 -2.890 1 1 1200 . 13 1 1 A 125 125 LEU H H 125 9.830 9.050 0.780 1 1 1201 . 13 1 1 A 125 125 LEU HA H 125 4.190 4.276 -0.086 1 1 1211 . 13 1 1 A 125 125 LEU CA C 125 54.700 54.463 0.237 1 1 1212 . 13 1 1 A 125 125 LEU CB C 125 44.000 43.729 0.271 1 1 1216 . 13 1 1 A 125 125 LEU N N 125 125.000 125.807 -0.807 1 1 1217 . 13 1 1 A 126 126 ALA H H 126 8.310 8.408 -0.098 1 1 1218 . 13 1 1 A 126 126 ALA HA H 126 4.460 4.553 -0.093 1 1 1222 . 13 1 1 A 126 126 ALA CA C 126 51.100 50.743 0.357 1 1 1223 . 13 1 1 A 126 126 ALA CB C 126 18.300 17.911 0.389 1 1 1224 . 13 1 1 A 126 126 ALA N N 126 127.000 129.147 -2.147 1 1 1225 . 13 1 1 A 127 127 PRO HA H 127 4.340 4.337 0.003 1 1 1232 . 13 1 1 A 127 127 PRO CA C 127 65.400 64.810 0.590 1 1 1233 . 13 1 1 A 127 127 PRO CB C 127 31.800 31.971 -0.171 1 1 1236 . 13 1 1 A 128 128 ASP H H 128 7.680 7.872 -0.192 1 1 1237 . 13 1 1 A 128 128 ASP HA H 128 4.550 4.638 -0.088 1 1 1240 . 13 1 1 A 128 128 ASP CA C 128 52.900 55.050 -2.150 1 1 1241 . 13 1 1 A 128 128 ASP CB C 128 39.600 41.400 -1.800 1 1 1242 . 13 1 1 A 128 128 ASP N N 128 113.100 117.460 -4.360 1 1 1243 . 13 1 1 A 129 129 ARG H H 129 8.500 8.211 0.289 1 1 1244 . 13 1 1 A 129 129 ARG HA H 129 3.500 3.840 -0.340 1 1 1251 . 13 1 1 A 129 129 ARG CA C 129 57.600 57.318 0.282 1 1 1252 . 13 1 1 A 129 129 ARG CB C 129 26.900 29.764 -2.864 1 1 1255 . 13 1 1 A 129 129 ARG N N 129 113.100 118.839 -5.739 1 1 1256 . 13 1 1 A 130 130 SER H H 130 8.050 8.166 -0.116 1 1 1257 . 13 1 1 A 130 130 SER HA H 130 4.020 4.256 -0.236 1 1 1260 . 13 1 1 A 130 130 SER CA C 130 60.100 60.714 -0.614 1 1 1261 . 13 1 1 A 130 130 SER CB C 130 63.600 63.690 -0.090 1 1 1262 . 13 1 1 A 130 130 SER N N 130 111.100 112.572 -1.472 1 1 1263 . 13 1 1 A 131 131 GLU H H 131 7.060 7.599 -0.539 1 1 1264 . 13 1 1 A 131 131 GLU HA H 131 4.420 4.517 -0.097 1 1 1269 . 13 1 1 A 131 131 GLU CA C 131 54.400 55.098 -0.698 1 1 1270 . 13 1 1 A 131 131 GLU CB C 131 31.800 31.467 0.333 1 1 1272 . 13 1 1 A 131 131 GLU N N 131 114.400 117.869 -3.469 1 1 1273 . 13 1 1 A 132 132 PHE H H 132 8.740 8.556 0.184 1 1 1274 . 13 1 1 A 132 132 PHE HA H 132 5.390 5.566 -0.176 1 1 1282 . 13 1 1 A 132 132 PHE CA C 132 57.200 56.611 0.589 1 1 1283 . 13 1 1 A 132 132 PHE CB C 132 42.900 41.814 1.086 1 1 1287 . 13 1 1 A 132 132 PHE N N 132 117.300 117.222 0.078 1 1 1288 . 13 1 1 A 133 133 HIS H H 133 9.870 9.529 0.341 1 1 1289 . 13 1 1 A 133 133 HIS HA H 133 5.380 5.153 0.227 1 1 1294 . 13 1 1 A 133 133 HIS CA C 133 53.300 54.661 -1.361 1 1 1295 . 13 1 1 A 133 133 HIS CB C 133 32.700 33.162 -0.462 1 1 1298 . 13 1 1 A 133 133 HIS N N 133 117.900 118.696 -0.796 1 1 1299 . 13 1 1 A 134 134 ARG H H 134 9.080 8.566 0.514 1 1 1300 . 13 1 1 A 134 134 ARG HA H 134 3.500 3.793 -0.293 1 1 1307 . 13 1 1 A 134 134 ARG CA C 134 57.100 56.585 0.515 1 1 1308 . 13 1 1 A 134 134 ARG CB C 134 30.100 30.262 -0.162 1 1 1311 . 13 1 1 A 134 134 ARG N N 134 125.600 123.900 1.700 1 1 1312 . 13 1 1 A 135 135 GLU H H 135 8.410 8.968 -0.558 1 1 1313 . 13 1 1 A 135 135 GLU HA H 135 4.550 4.660 -0.110 1 1 1318 . 13 1 1 A 135 135 GLU CA C 135 54.000 56.202 -2.202 1 1 1319 . 13 1 1 A 135 135 GLU CB C 135 33.000 31.699 1.301 1 1 1321 . 13 1 1 A 135 135 GLU N N 135 128.500 125.731 2.769 1 1 1322 . 13 1 1 A 136 136 ASP H H 136 8.480 8.660 -0.180 1 1 1323 . 13 1 1 A 136 136 ASP HA H 136 4.460 5.370 -0.910 1 1 1326 . 13 1 1 A 136 136 ASP CA C 136 54.700 52.807 1.893 1 1 1327 . 13 1 1 A 136 136 ASP CB C 136 41.500 44.449 -2.949 1 1 1328 . 13 1 1 A 136 136 ASP N N 136 124.300 121.630 2.670 1 1 1329 . 13 1 1 A 137 137 ILE H H 137 8.340 8.583 -0.243 1 1 1330 . 13 1 1 A 137 137 ILE HA H 137 4.570 4.599 -0.029 1 1 1340 . 13 1 1 A 137 137 ILE CA C 137 61.400 60.057 1.343 1 1 1341 . 13 1 1 A 137 137 ILE CB C 137 38.600 38.037 0.563 1 1 1345 . 13 1 1 A 137 137 ILE N N 137 121.100 126.392 -5.292 1 1 1346 . 13 1 1 A 138 138 VAL H H 138 8.730 8.940 -0.210 1 1 1347 . 13 1 1 A 138 138 VAL HA H 138 4.570 4.970 -0.400 1 1 1355 . 13 1 1 A 138 138 VAL CA C 138 59.800 58.674 1.126 1 1 1356 . 13 1 1 A 138 138 VAL CB C 138 34.700 35.680 -0.980 1 1 1359 . 13 1 1 A 138 138 VAL N N 138 125.100 120.574 4.526 1 1 1360 . 13 1 1 A 139 139 ARG H H 139 8.390 8.296 0.094 1 1 1361 . 13 1 1 A 139 139 ARG HA H 139 5.210 5.088 0.122 1 1 1368 . 13 1 1 A 139 139 ARG CA C 139 53.500 53.722 -0.222 1 1 1369 . 13 1 1 A 139 139 ARG CB C 139 30.100 29.860 0.240 1 1 1372 . 13 1 1 A 139 139 ARG N N 139 122.800 122.873 -0.073 1 1 1373 . 13 1 1 A 140 140 PRO HA H 140 4.380 4.553 -0.173 1 1 1380 . 13 1 1 A 140 140 PRO CA C 140 62.400 62.705 -0.305 1 1 1381 . 13 1 1 A 140 140 PRO CB C 140 32.000 31.735 0.265 1 1 1384 . 13 1 1 A 141 141 ASP H H 141 8.520 8.559 -0.039 1 1 1385 . 13 1 1 A 141 141 ASP HA H 141 4.780 4.626 0.154 1 1 1388 . 13 1 1 A 141 141 ASP CA C 141 54.500 52.652 1.848 1 1 1389 . 13 1 1 A 141 141 ASP CB C 141 40.600 41.846 -1.246 1 1 1390 . 13 1 1 A 141 141 ASP N N 141 122.200 122.648 -0.448 1 1 1391 . 13 1 1 A 142 142 PRO HA H 142 4.380 4.408 -0.028 1 1 1398 . 13 1 1 A 142 142 PRO CA C 142 63.500 63.843 -0.343 1 1 1399 . 13 1 1 A 142 142 PRO CB C 142 32.000 31.530 0.470 1 1 1402 . 13 1 1 A 143 143 GLU H H 143 8.460 8.172 0.288 1 1 1403 . 13 1 1 A 143 143 GLU HA H 143 4.260 4.315 -0.055 1 1 1408 . 13 1 1 A 143 143 GLU CA C 143 56.000 58.945 -2.945 1 1 1409 . 13 1 1 A 143 143 GLU CB C 143 30.000 30.604 -0.604 1 1 1411 . 13 1 1 A 143 143 GLU N N 143 119.500 118.502 0.998 1 1 1412 . 13 1 1 A 144 144 ALA H H 144 8.030 7.713 0.317 1 1 1413 . 13 1 1 A 144 144 ALA HA H 144 4.590 3.988 0.602 1 1 1417 . 13 1 1 A 144 144 ALA CA C 144 50.300 52.854 -2.554 1 1 1418 . 13 1 1 A 144 144 ALA CB C 144 18.300 17.537 0.763 1 1 1419 . 13 1 1 A 144 144 ALA N N 144 125.800 120.583 5.217 1 1 1420 . 13 1 1 A 145 145 PRO HA H 145 4.400 4.647 -0.247 1 1 1427 . 13 1 1 A 145 145 PRO CA C 145 62.900 62.587 0.313 1 1 1428 . 13 1 1 A 145 145 PRO CB C 145 32.000 32.718 -0.718 1 1 1431 . 13 1 1 A 146 146 LEU H H 146 8.330 8.375 -0.045 1 1 1432 . 13 1 1 A 146 146 LEU HA H 146 4.230 4.762 -0.532 1 1 1442 . 13 1 1 A 146 146 LEU CA C 146 55.100 53.462 1.638 1 1 1443 . 13 1 1 A 146 146 LEU CB C 146 42.200 42.545 -0.345 1 1 1447 . 13 1 1 A 146 146 LEU N N 146 122.100 121.504 0.596 1 1 1448 . 13 1 1 A 147 147 GLU H H 147 8.300 8.600 -0.300 1 1 1449 . 13 1 1 A 147 147 GLU HA H 147 4.220 4.191 0.029 1 1 1454 . 13 1 1 A 147 147 GLU CA C 147 56.200 58.773 -2.573 1 1 1455 . 13 1 1 A 147 147 GLU CB C 147 30.300 30.419 -0.119 1 1 13 . 14 1 1 A 2 2 LYS H H 2 9.020 8.833 0.187 1 1 14 . 14 1 1 A 2 2 LYS HA H 2 5.640 5.662 -0.022 1 1 23 . 14 1 1 A 2 2 LYS CA C 2 53.700 54.836 -1.136 1 1 24 . 14 1 1 A 2 2 LYS CB C 2 34.900 33.905 0.995 1 1 28 . 14 1 1 A 2 2 LYS N N 2 125.700 126.376 -0.676 1 1 29 . 14 1 1 A 3 3 THR H H 3 8.850 8.369 0.481 1 1 30 . 14 1 1 A 3 3 THR HA H 3 4.660 4.721 -0.061 1 1 36 . 14 1 1 A 3 3 THR CA C 3 61.600 60.311 1.289 1 1 37 . 14 1 1 A 3 3 THR CB C 3 68.200 70.179 -1.979 1 1 39 . 14 1 1 A 3 3 THR N N 3 117.000 116.905 0.095 1 1 40 . 14 1 1 A 4 4 THR H H 4 8.100 8.275 -0.175 1 1 41 . 14 1 1 A 4 4 THR HA H 4 4.790 4.942 -0.152 1 1 46 . 14 1 1 A 4 4 THR CA C 4 58.500 59.135 -0.635 1 1 47 . 14 1 1 A 4 4 THR CB C 4 68.400 69.623 -1.223 1 1 49 . 14 1 1 A 4 4 THR N N 4 110.200 115.639 -5.439 1 1 50 . 14 1 1 A 5 5 PRO HA H 5 4.110 4.142 -0.032 1 1 57 . 14 1 1 A 5 5 PRO CA C 5 65.300 65.683 -0.383 1 1 58 . 14 1 1 A 5 5 PRO CB C 5 31.800 31.645 0.155 1 1 61 . 14 1 1 A 6 6 ASP H H 6 8.530 8.234 0.296 1 1 62 . 14 1 1 A 6 6 ASP HA H 6 4.350 4.320 0.030 1 1 65 . 14 1 1 A 6 6 ASP CA C 6 56.300 57.508 -1.208 1 1 66 . 14 1 1 A 6 6 ASP CB C 6 39.500 40.411 -0.911 1 1 67 . 14 1 1 A 6 6 ASP N N 6 114.600 117.084 -2.484 1 1 68 . 14 1 1 A 7 7 ILE H H 7 7.270 7.614 -0.344 1 1 69 . 14 1 1 A 7 7 ILE HA H 7 3.620 3.684 -0.064 1 1 79 . 14 1 1 A 7 7 ILE CA C 7 61.900 64.977 -3.077 1 1 80 . 14 1 1 A 7 7 ILE CB C 7 34.900 37.731 -2.831 1 1 84 . 14 1 1 A 7 7 ILE N N 7 121.700 120.160 1.540 1 1 85 . 14 1 1 A 8 8 LEU H H 8 6.960 7.927 -0.967 1 1 86 . 14 1 1 A 8 8 LEU HA H 8 3.710 3.797 -0.087 1 1 96 . 14 1 1 A 8 8 LEU CA C 8 57.800 58.174 -0.374 1 1 97 . 14 1 1 A 8 8 LEU CB C 8 39.900 41.346 -1.446 1 1 101 . 14 1 1 A 8 8 LEU N N 8 117.200 120.076 -2.876 1 1 102 . 14 1 1 A 9 9 ASP H H 9 8.220 8.431 -0.211 1 1 103 . 14 1 1 A 9 9 ASP HA H 9 4.330 4.228 0.102 1 1 106 . 14 1 1 A 9 9 ASP CA C 9 57.600 57.903 -0.303 1 1 107 . 14 1 1 A 9 9 ASP CB C 9 40.100 41.088 -0.988 1 1 108 . 14 1 1 A 9 9 ASP N N 9 117.600 119.115 -1.515 1 1 109 . 14 1 1 A 10 10 GLN H H 10 7.630 8.008 -0.378 1 1 110 . 14 1 1 A 10 10 GLN HA H 10 3.850 4.028 -0.178 1 1 117 . 14 1 1 A 10 10 GLN CA C 10 59.200 58.742 0.458 1 1 118 . 14 1 1 A 10 10 GLN CB C 10 29.300 28.381 0.919 1 1 120 . 14 1 1 A 10 10 GLN N N 10 118.700 118.093 0.607 1 1 122 . 14 1 1 A 11 11 ILE H H 11 7.590 8.062 -0.472 1 1 123 . 14 1 1 A 11 11 ILE HA H 11 2.960 3.705 -0.745 1 1 133 . 14 1 1 A 11 11 ILE CA C 11 65.800 65.420 0.380 1 1 134 . 14 1 1 A 11 11 ILE CB C 11 37.500 37.476 0.024 1 1 138 . 14 1 1 A 11 11 ILE N N 11 121.700 121.216 0.484 1 1 139 . 14 1 1 A 12 12 ARG H H 12 7.720 7.834 -0.114 1 1 140 . 14 1 1 A 12 12 ARG HA H 12 3.610 3.842 -0.232 1 1 147 . 14 1 1 A 12 12 ARG CA C 12 61.300 59.640 1.660 1 1 148 . 14 1 1 A 12 12 ARG CB C 12 30.100 29.680 0.420 1 1 151 . 14 1 1 A 12 12 ARG N N 12 118.400 119.752 -1.352 1 1 152 . 14 1 1 A 13 13 VAL H H 13 8.480 8.268 0.212 1 1 153 . 14 1 1 A 13 13 VAL HA H 13 3.640 3.579 0.061 1 1 161 . 14 1 1 A 13 13 VAL CA C 13 66.400 66.581 -0.181 1 1 162 . 14 1 1 A 13 13 VAL CB C 13 31.600 31.750 -0.150 1 1 165 . 14 1 1 A 13 13 VAL N N 13 118.400 120.219 -1.819 1 1 166 . 14 1 1 A 14 14 HIS H H 14 7.790 8.030 -0.240 1 1 167 . 14 1 1 A 14 14 HIS HA H 14 4.620 4.347 0.273 1 1 172 . 14 1 1 A 14 14 HIS CA C 14 57.500 58.205 -0.705 1 1 173 . 14 1 1 A 14 14 HIS CB C 14 31.100 28.510 2.590 1 1 176 . 14 1 1 A 14 14 HIS N N 14 119.600 117.886 1.714 1 1 177 . 14 1 1 A 15 15 GLY H H 15 8.290 7.655 0.635 1 1 178 . 14 1 1 A 15 15 GLY HA2 H 15 3.400 3.599 -0.199 1 1 179 . 14 1 1 A 15 15 GLY HA3 H 15 3.620 3.789 -0.169 1 1 180 . 14 1 1 A 15 15 GLY CA C 15 47.800 47.167 0.633 1 1 181 . 14 1 1 A 15 15 GLY N N 15 104.200 109.310 -5.110 1 1 182 . 14 1 1 A 16 16 ALA H H 16 8.650 7.734 0.916 1 1 183 . 14 1 1 A 16 16 ALA HA H 16 3.940 3.978 -0.038 1 1 187 . 14 1 1 A 16 16 ALA CA C 16 55.500 54.501 0.999 1 1 188 . 14 1 1 A 16 16 ALA CB C 16 18.600 18.216 0.384 1 1 189 . 14 1 1 A 16 16 ALA N N 16 125.700 125.076 0.624 1 1 190 . 14 1 1 A 17 17 ASP H H 17 9.020 8.317 0.703 1 1 191 . 14 1 1 A 17 17 ASP HA H 17 4.420 4.427 -0.007 1 1 194 . 14 1 1 A 17 17 ASP CA C 17 56.700 56.880 -0.180 1 1 195 . 14 1 1 A 17 17 ASP CB C 17 41.300 41.437 -0.137 1 1 196 . 14 1 1 A 17 17 ASP N N 17 119.300 119.320 -0.020 1 1 197 . 14 1 1 A 18 18 ALA H H 18 8.210 7.548 0.662 1 1 198 . 14 1 1 A 18 18 ALA HA H 18 4.180 4.333 -0.153 1 1 202 . 14 1 1 A 18 18 ALA CA C 18 53.100 53.288 -0.188 1 1 203 . 14 1 1 A 18 18 ALA CB C 18 19.000 19.939 -0.939 1 1 204 . 14 1 1 A 18 18 ALA N N 18 118.300 119.518 -1.218 1 1 205 . 14 1 1 A 19 19 TYR H H 19 7.080 7.727 -0.647 1 1 206 . 14 1 1 A 19 19 TYR HA H 19 4.190 4.570 -0.380 1 1 213 . 14 1 1 A 19 19 TYR CA C 19 58.300 57.149 1.151 1 1 214 . 14 1 1 A 19 19 TYR CB C 19 39.100 39.363 -0.263 1 1 217 . 14 1 1 A 19 19 TYR N N 19 118.200 121.792 -3.592 1 1 218 . 14 1 1 A 20 20 PRO HA H 20 2.690 3.002 -0.312 1 1 225 . 14 1 1 A 20 20 PRO CA C 20 63.300 63.260 0.040 1 1 226 . 14 1 1 A 20 20 PRO CB C 20 33.500 32.187 1.313 1 1 229 . 14 1 1 A 21 21 GLU H H 21 8.660 7.663 0.997 1 1 230 . 14 1 1 A 21 21 GLU HA H 21 4.420 4.348 0.072 1 1 235 . 14 1 1 A 21 21 GLU CA C 21 55.300 56.553 -1.253 1 1 236 . 14 1 1 A 21 21 GLU CB C 21 30.400 30.062 0.338 1 1 238 . 14 1 1 A 21 21 GLU N N 21 124.800 120.929 3.871 1 1 239 . 14 1 1 A 22 22 GLU H H 22 8.290 8.629 -0.339 1 1 240 . 14 1 1 A 22 22 GLU HA H 22 3.990 4.548 -0.558 1 1 245 . 14 1 1 A 22 22 GLU CA C 22 56.400 56.191 0.209 1 1 246 . 14 1 1 A 22 22 GLU CB C 22 30.900 28.572 2.328 1 1 248 . 14 1 1 A 22 22 GLU N N 22 119.700 121.863 -2.163 1 1 249 . 14 1 1 A 23 23 GLY H H 23 8.770 8.624 0.146 1 1 250 . 14 1 1 A 23 23 GLY HA2 H 23 2.430 4.033 -1.603 1 1 251 . 14 1 1 A 23 23 GLY HA3 H 23 4.270 4.098 0.172 1 1 252 . 14 1 1 A 23 23 GLY CA C 23 42.900 46.208 -3.308 1 1 253 . 14 1 1 A 23 23 GLY N N 23 112.400 110.780 1.620 1 1 254 . 14 1 1 A 24 24 CYS H H 24 8.580 8.911 -0.331 1 1 255 . 14 1 1 A 24 24 CYS HA H 24 4.630 5.381 -0.751 1 1 258 . 14 1 1 A 24 24 CYS CA C 24 54.900 58.114 -3.214 1 1 259 . 14 1 1 A 24 24 CYS CB C 24 31.300 31.444 -0.144 1 1 260 . 14 1 1 A 24 24 CYS N N 24 118.100 124.415 -6.315 1 1 261 . 14 1 1 A 25 25 GLY H H 25 6.730 7.179 -0.449 1 1 262 . 14 1 1 A 25 25 GLY HA2 H 25 3.650 3.868 -0.218 1 1 263 . 14 1 1 A 25 25 GLY HA3 H 25 4.030 3.897 0.133 1 1 264 . 14 1 1 A 25 25 GLY CA C 25 45.900 45.829 0.071 1 1 265 . 14 1 1 A 25 25 GLY N N 25 104.600 108.524 -3.924 1 1 266 . 14 1 1 A 26 26 PHE H H 26 9.350 8.509 0.841 1 1 267 . 14 1 1 A 26 26 PHE HA H 26 5.130 5.199 -0.069 1 1 275 . 14 1 1 A 26 26 PHE CA C 26 56.900 56.519 0.381 1 1 276 . 14 1 1 A 26 26 PHE CB C 26 43.300 42.787 0.513 1 1 280 . 14 1 1 A 26 26 PHE N N 26 114.900 119.198 -4.298 1 1 281 . 14 1 1 A 27 27 LEU H H 27 8.320 9.541 -1.221 1 1 282 . 14 1 1 A 27 27 LEU HA H 27 4.590 5.207 -0.617 1 1 292 . 14 1 1 A 27 27 LEU CA C 27 52.900 53.764 -0.864 1 1 293 . 14 1 1 A 27 27 LEU CB C 27 41.200 43.025 -1.825 1 1 297 . 14 1 1 A 27 27 LEU N N 27 119.100 122.948 -3.848 1 1 298 . 14 1 1 A 28 28 LEU H H 28 9.050 9.140 -0.090 1 1 299 . 14 1 1 A 28 28 LEU HA H 28 5.390 5.268 0.122 1 1 309 . 14 1 1 A 28 28 LEU CA C 28 51.900 53.163 -1.263 1 1 310 . 14 1 1 A 28 28 LEU CB C 28 42.900 43.838 -0.938 1 1 314 . 14 1 1 A 28 28 LEU N N 28 123.500 124.716 -1.216 1 1 315 . 14 1 1 A 29 29 GLY H H 29 9.950 8.197 1.753 1 1 316 . 14 1 1 A 29 29 GLY HA2 H 29 5.270 4.376 0.894 1 1 317 . 14 1 1 A 29 29 GLY HA3 H 29 3.900 4.384 -0.484 1 1 318 . 14 1 1 A 29 29 GLY CA C 29 46.700 46.292 0.408 1 1 319 . 14 1 1 A 29 29 GLY N N 29 112.400 110.283 2.117 1 1 320 . 14 1 1 A 30 30 THR H H 30 8.810 8.330 0.480 1 1 321 . 14 1 1 A 30 30 THR HA H 30 4.810 5.380 -0.570 1 1 326 . 14 1 1 A 30 30 THR CA C 30 59.900 59.695 0.205 1 1 327 . 14 1 1 A 30 30 THR CB C 30 72.200 72.216 -0.016 1 1 329 . 14 1 1 A 30 30 THR N N 30 116.000 114.354 1.646 1 1 330 . 14 1 1 A 31 31 VAL H H 31 8.530 8.893 -0.363 1 1 331 . 14 1 1 A 31 31 VAL HA H 31 4.830 5.120 -0.290 1 1 339 . 14 1 1 A 31 31 VAL CA C 31 61.900 61.073 0.827 1 1 340 . 14 1 1 A 31 31 VAL CB C 31 32.200 33.507 -1.307 1 1 343 . 14 1 1 A 31 31 VAL N N 31 124.200 123.980 0.220 1 1 344 . 14 1 1 A 32 32 THR H H 32 9.040 8.813 0.227 1 1 345 . 14 1 1 A 32 32 THR HA H 32 4.580 4.591 -0.011 1 1 350 . 14 1 1 A 32 32 THR CA C 32 61.200 60.822 0.378 1 1 351 . 14 1 1 A 32 32 THR CB C 32 70.700 71.561 -0.861 1 1 353 . 14 1 1 A 32 32 THR N N 32 118.900 119.352 -0.452 1 1 354 . 14 1 1 A 33 33 ASP H H 33 8.980 8.883 0.097 1 1 355 . 14 1 1 A 33 33 ASP HA H 33 4.400 4.364 0.036 1 1 358 . 14 1 1 A 33 33 ASP CA C 33 56.800 57.014 -0.214 1 1 359 . 14 1 1 A 33 33 ASP CB C 33 40.100 40.367 -0.267 1 1 360 . 14 1 1 A 33 33 ASP N N 33 121.100 121.727 -0.627 1 1 361 . 14 1 1 A 34 34 ASP H H 34 7.960 8.070 -0.110 1 1 362 . 14 1 1 A 34 34 ASP HA H 34 4.640 4.647 -0.007 1 1 365 . 14 1 1 A 34 34 ASP CA C 34 53.500 54.118 -0.618 1 1 366 . 14 1 1 A 34 34 ASP CB C 34 40.400 41.486 -1.086 1 1 367 . 14 1 1 A 34 34 ASP N N 34 115.400 117.450 -2.050 1 1 368 . 14 1 1 A 35 35 GLY H H 35 8.080 7.573 0.507 1 1 369 . 14 1 1 A 35 35 GLY HA2 H 35 3.590 4.003 -0.413 1 1 370 . 14 1 1 A 35 35 GLY HA3 H 35 4.200 4.005 0.195 1 1 371 . 14 1 1 A 35 35 GLY CA C 35 45.400 45.132 0.268 1 1 372 . 14 1 1 A 35 35 GLY N N 35 108.400 106.235 2.165 1 1 373 . 14 1 1 A 36 36 ASP H H 36 7.690 8.324 -0.634 1 1 374 . 14 1 1 A 36 36 ASP HA H 36 4.790 4.723 0.067 1 1 377 . 14 1 1 A 36 36 ASP CA C 36 51.900 54.764 -2.864 1 1 378 . 14 1 1 A 36 36 ASP CB C 36 42.300 41.781 0.519 1 1 379 . 14 1 1 A 36 36 ASP N N 36 120.100 120.848 -0.748 1 1 380 . 14 1 1 A 37 37 ASN H H 37 8.920 8.760 0.160 1 1 381 . 14 1 1 A 37 37 ASN HA H 37 5.180 5.109 0.071 1 1 386 . 14 1 1 A 37 37 ASN CA C 37 52.900 52.445 0.455 1 1 387 . 14 1 1 A 37 37 ASN CB C 37 38.800 39.385 -0.585 1 1 388 . 14 1 1 A 37 37 ASN N N 37 119.000 121.346 -2.346 1 1 390 . 14 1 1 A 38 38 ARG H H 38 9.480 8.765 0.715 1 1 391 . 14 1 1 A 38 38 ARG HA H 38 5.310 5.507 -0.197 1 1 398 . 14 1 1 A 38 38 ARG CA C 38 53.500 54.854 -1.354 1 1 399 . 14 1 1 A 38 38 ARG CB C 38 31.000 32.965 -1.965 1 1 402 . 14 1 1 A 38 38 ARG N N 38 126.900 122.599 4.301 1 1 403 . 14 1 1 A 39 39 VAL H H 39 8.810 8.608 0.202 1 1 404 . 14 1 1 A 39 39 VAL HA H 39 4.150 4.419 -0.269 1 1 412 . 14 1 1 A 39 39 VAL CA C 39 62.800 61.599 1.201 1 1 413 . 14 1 1 A 39 39 VAL CB C 39 33.100 33.304 -0.204 1 1 416 . 14 1 1 A 39 39 VAL N N 39 125.700 123.837 1.863 1 1 417 . 14 1 1 A 40 40 ALA H H 40 9.680 8.448 1.232 1 1 418 . 14 1 1 A 40 40 ALA HA H 40 4.690 4.562 0.128 1 1 422 . 14 1 1 A 40 40 ALA CA C 40 51.300 52.787 -1.487 1 1 423 . 14 1 1 A 40 40 ALA CB C 40 22.700 20.861 1.839 1 1 424 . 14 1 1 A 40 40 ALA N N 40 102.300 129.651 -27.351 1 1 425 . 14 1 1 A 41 41 ALA H H 41 8.370 7.884 0.486 1 1 426 . 14 1 1 A 41 41 ALA HA H 41 4.530 4.890 -0.360 1 1 430 . 14 1 1 A 41 41 ALA CA C 41 51.700 50.683 1.017 1 1 431 . 14 1 1 A 41 41 ALA CB C 41 22.200 23.173 -0.973 1 1 432 . 14 1 1 A 41 41 ALA N N 41 120.200 117.981 2.219 1 1 433 . 14 1 1 A 42 42 LEU H H 42 8.690 8.666 0.024 1 1 434 . 14 1 1 A 42 42 LEU HA H 42 5.320 5.290 0.030 1 1 444 . 14 1 1 A 42 42 LEU CA C 42 53.500 53.647 -0.147 1 1 445 . 14 1 1 A 42 42 LEU CB C 42 46.300 45.163 1.137 1 1 449 . 14 1 1 A 42 42 LEU N N 42 118.300 120.160 -1.860 1 1 450 . 14 1 1 A 43 43 HIS H H 43 8.820 8.925 -0.105 1 1 451 . 14 1 1 A 43 43 HIS HA H 43 4.870 5.283 -0.413 1 1 456 . 14 1 1 A 43 43 HIS CA C 43 56.300 54.335 1.965 1 1 457 . 14 1 1 A 43 43 HIS CB C 43 34.200 33.272 0.928 1 1 460 . 14 1 1 A 43 43 HIS N N 43 120.700 124.202 -3.502 1 1 461 . 14 1 1 A 44 44 ARG H H 44 8.580 8.561 0.019 1 1 462 . 14 1 1 A 44 44 ARG HA H 44 4.420 4.617 -0.197 1 1 469 . 14 1 1 A 44 44 ARG CA C 44 57.400 54.732 2.668 1 1 470 . 14 1 1 A 44 44 ARG CB C 44 31.100 31.897 -0.797 1 1 473 . 14 1 1 A 44 44 ARG N N 44 128.300 125.661 2.639 1 1 474 . 14 1 1 A 45 45 ALA H H 45 8.580 8.259 0.321 1 1 475 . 14 1 1 A 45 45 ALA HA H 45 4.720 4.469 0.251 1 1 479 . 14 1 1 A 45 45 ALA CA C 45 51.500 52.423 -0.923 1 1 480 . 14 1 1 A 45 45 ALA CB C 45 20.200 18.322 1.878 1 1 481 . 14 1 1 A 45 45 ALA N N 45 125.700 126.295 -0.595 1 1 482 . 14 1 1 A 46 46 THR H H 46 8.250 8.766 -0.516 1 1 483 . 14 1 1 A 46 46 THR HA H 46 4.270 4.656 -0.386 1 1 488 . 14 1 1 A 46 46 THR CA C 46 62.000 60.814 1.186 1 1 489 . 14 1 1 A 46 46 THR CB C 46 69.900 72.512 -2.612 1 1 491 . 14 1 1 A 46 46 THR N N 46 115.500 118.131 -2.631 1 1 492 . 14 1 1 A 47 47 ASN H H 47 8.590 8.573 0.017 1 1 493 . 14 1 1 A 47 47 ASN HA H 47 4.620 5.014 -0.394 1 1 498 . 14 1 1 A 47 47 ASN CA C 47 53.400 52.720 0.680 1 1 499 . 14 1 1 A 47 47 ASN CB C 47 38.400 38.233 0.167 1 1 500 . 14 1 1 A 47 47 ASN N N 47 122.400 123.732 -1.332 1 1 502 . 14 1 1 A 50 50 SER H H 50 8.480 8.760 -0.280 1 1 503 . 14 1 1 A 50 50 SER HA H 50 4.400 4.662 -0.262 1 1 506 . 14 1 1 A 50 50 SER CA C 50 58.900 55.877 3.023 1 1 507 . 14 1 1 A 50 50 SER CB C 50 63.600 65.346 -1.746 1 1 508 . 14 1 1 A 50 50 SER N N 50 116.600 121.922 -5.322 1 1 509 . 14 1 1 A 51 51 GLU H H 51 8.510 8.401 0.109 1 1 510 . 14 1 1 A 51 51 GLU HA H 51 4.300 4.286 0.014 1 1 515 . 14 1 1 A 51 51 GLU CA C 51 56.800 56.603 0.197 1 1 516 . 14 1 1 A 51 51 GLU CB C 51 29.900 30.029 -0.129 1 1 518 . 14 1 1 A 51 51 GLU N N 51 121.800 120.532 1.268 1 1 519 . 14 1 1 A 52 52 GLN H H 52 8.300 8.650 -0.350 1 1 520 . 14 1 1 A 52 52 GLN HA H 52 4.310 4.579 -0.269 1 1 527 . 14 1 1 A 52 52 GLN CA C 52 55.900 54.724 1.176 1 1 528 . 14 1 1 A 52 52 GLN CB C 52 29.000 30.353 -1.353 1 1 530 . 14 1 1 A 52 52 GLN N N 52 119.500 122.597 -3.097 1 1 532 . 14 1 1 A 53 53 ARG H H 53 8.350 8.541 -0.191 1 1 533 . 14 1 1 A 53 53 ARG HA H 53 4.310 4.047 0.263 1 1 540 . 14 1 1 A 53 53 ARG CA C 53 56.800 57.519 -0.719 1 1 541 . 14 1 1 A 53 53 ARG CB C 53 30.700 28.083 2.617 1 1 544 . 14 1 1 A 53 53 ARG N N 53 121.000 117.557 3.443 1 1 545 . 14 1 1 A 54 54 THR H H 54 8.140 7.889 0.251 1 1 546 . 14 1 1 A 54 54 THR HA H 54 4.340 4.391 -0.051 1 1 551 . 14 1 1 A 54 54 THR CA C 54 61.900 62.452 -0.552 1 1 552 . 14 1 1 A 54 54 THR CB C 54 69.600 69.102 0.498 1 1 554 . 14 1 1 A 54 54 THR N N 54 113.100 113.192 -0.092 1 1 555 . 14 1 1 A 64 64 TYR H H 64 8.220 8.984 -0.764 1 1 556 . 14 1 1 A 64 64 TYR HA H 64 3.360 3.624 -0.264 1 1 563 . 14 1 1 A 64 64 TYR CA C 64 61.600 62.138 -0.538 1 1 564 . 14 1 1 A 64 64 TYR CB C 64 37.700 38.653 -0.953 1 1 567 . 14 1 1 A 64 64 TYR N N 64 120.700 125.216 -4.516 1 1 568 . 14 1 1 A 65 65 ARG H H 65 8.340 8.157 0.183 1 1 569 . 14 1 1 A 65 65 ARG HA H 65 3.930 3.789 0.141 1 1 576 . 14 1 1 A 65 65 ARG CA C 65 59.600 59.455 0.145 1 1 577 . 14 1 1 A 65 65 ARG CB C 65 30.100 30.085 0.015 1 1 580 . 14 1 1 A 65 65 ARG N N 65 119.200 118.231 0.969 1 1 581 . 14 1 1 A 66 66 ALA H H 66 7.790 7.952 -0.162 1 1 582 . 14 1 1 A 66 66 ALA HA H 66 4.090 4.055 0.035 1 1 586 . 14 1 1 A 66 66 ALA CA C 66 54.700 54.834 -0.134 1 1 587 . 14 1 1 A 66 66 ALA CB C 66 18.100 18.221 -0.121 1 1 588 . 14 1 1 A 66 66 ALA N N 66 121.900 121.786 0.114 1 1 589 . 14 1 1 A 67 67 ALA H H 67 7.550 6.997 0.553 1 1 590 . 14 1 1 A 67 67 ALA HA H 67 2.940 3.508 -0.568 1 1 594 . 14 1 1 A 67 67 ALA CA C 67 54.300 54.602 -0.302 1 1 595 . 14 1 1 A 67 67 ALA CB C 67 18.000 17.834 0.166 1 1 596 . 14 1 1 A 67 67 ALA N N 67 123.000 120.672 2.328 1 1 597 . 14 1 1 A 68 68 ASP H H 68 8.320 8.229 0.091 1 1 598 . 14 1 1 A 68 68 ASP HA H 68 4.100 3.921 0.179 1 1 601 . 14 1 1 A 68 68 ASP CA C 68 56.800 56.884 -0.084 1 1 602 . 14 1 1 A 68 68 ASP CB C 68 41.400 41.300 0.100 1 1 603 . 14 1 1 A 68 68 ASP N N 68 118.100 118.101 -0.001 1 1 604 . 14 1 1 A 69 69 ALA H H 69 7.790 7.558 0.232 1 1 605 . 14 1 1 A 69 69 ALA HA H 69 4.010 4.017 -0.007 1 1 609 . 14 1 1 A 69 69 ALA CA C 69 55.000 54.730 0.270 1 1 610 . 14 1 1 A 69 69 ALA CB C 69 17.600 18.322 -0.722 1 1 611 . 14 1 1 A 69 69 ALA N N 69 121.200 120.941 0.259 1 1 612 . 14 1 1 A 70 70 ALA H H 70 7.490 7.921 -0.431 1 1 613 . 14 1 1 A 70 70 ALA HA H 70 4.070 3.932 0.138 1 1 617 . 14 1 1 A 70 70 ALA CA C 70 54.500 54.867 -0.367 1 1 618 . 14 1 1 A 70 70 ALA CB C 70 17.900 18.156 -0.256 1 1 619 . 14 1 1 A 70 70 ALA N N 70 121.200 119.969 1.231 1 1 620 . 14 1 1 A 71 71 ALA H H 71 8.620 7.971 0.649 1 1 621 . 14 1 1 A 71 71 ALA HA H 71 3.660 3.961 -0.301 1 1 625 . 14 1 1 A 71 71 ALA CA C 71 55.300 55.337 -0.037 1 1 626 . 14 1 1 A 71 71 ALA CB C 71 17.800 18.090 -0.290 1 1 627 . 14 1 1 A 71 71 ALA N N 71 121.600 120.485 1.115 1 1 628 . 14 1 1 A 72 72 GLN H H 72 8.700 7.969 0.731 1 1 629 . 14 1 1 A 72 72 GLN HA H 72 4.080 4.042 0.038 1 1 636 . 14 1 1 A 72 72 GLN CA C 72 59.000 58.623 0.377 1 1 637 . 14 1 1 A 72 72 GLN CB C 72 28.000 28.303 -0.303 1 1 639 . 14 1 1 A 72 72 GLN N N 72 118.600 117.022 1.578 1 1 641 . 14 1 1 A 73 73 GLU H H 73 7.640 8.260 -0.620 1 1 642 . 14 1 1 A 73 73 GLU HA H 73 4.080 4.052 0.028 1 1 647 . 14 1 1 A 73 73 GLU CA C 73 58.800 59.288 -0.488 1 1 648 . 14 1 1 A 73 73 GLU CB C 73 29.600 29.228 0.372 1 1 650 . 14 1 1 A 73 73 GLU N N 73 119.000 120.776 -1.776 1 1 651 . 14 1 1 A 74 74 GLN H H 74 7.400 7.690 -0.290 1 1 652 . 14 1 1 A 74 74 GLN HA H 74 4.470 4.372 0.098 1 1 659 . 14 1 1 A 74 74 GLN CA C 74 55.000 55.371 -0.371 1 1 660 . 14 1 1 A 74 74 GLN CB C 74 30.900 29.207 1.693 1 1 662 . 14 1 1 A 74 74 GLN N N 74 114.600 116.674 -2.074 1 1 664 . 14 1 1 A 75 75 GLY H H 75 7.830 8.533 -0.703 1 1 665 . 14 1 1 A 75 75 GLY HA2 H 75 3.950 3.910 0.040 1 1 666 . 14 1 1 A 75 75 GLY HA3 H 75 3.870 3.926 -0.056 1 1 667 . 14 1 1 A 75 75 GLY CA C 75 46.500 46.215 0.285 1 1 668 . 14 1 1 A 75 75 GLY N N 75 109.300 108.867 0.433 1 1 669 . 14 1 1 A 76 76 LEU H H 76 8.110 8.157 -0.047 1 1 670 . 14 1 1 A 76 76 LEU HA H 76 4.650 4.985 -0.335 1 1 680 . 14 1 1 A 76 76 LEU CA C 76 52.500 53.102 -0.602 1 1 681 . 14 1 1 A 76 76 LEU CB C 76 45.700 45.928 -0.228 1 1 685 . 14 1 1 A 76 76 LEU N N 76 119.300 120.330 -1.030 1 1 686 . 14 1 1 A 77 77 ASP H H 77 8.990 9.340 -0.350 1 1 687 . 14 1 1 A 77 77 ASP HA H 77 5.120 5.194 -0.074 1 1 690 . 14 1 1 A 77 77 ASP CA C 77 52.600 52.579 0.021 1 1 691 . 14 1 1 A 77 77 ASP CB C 77 44.600 43.798 0.802 1 1 692 . 14 1 1 A 77 77 ASP N N 77 117.600 118.273 -0.673 1 1 693 . 14 1 1 A 78 78 VAL H H 78 9.070 9.023 0.047 1 1 694 . 14 1 1 A 78 78 VAL HA H 78 4.090 4.141 -0.051 1 1 702 . 14 1 1 A 78 78 VAL CA C 78 63.900 63.089 0.811 1 1 703 . 14 1 1 A 78 78 VAL CB C 78 30.900 30.911 -0.011 1 1 706 . 14 1 1 A 78 78 VAL N N 78 121.900 120.888 1.012 1 1 707 . 14 1 1 A 79 79 VAL H H 79 8.360 8.500 -0.140 1 1 708 . 14 1 1 A 79 79 VAL HA H 79 4.300 4.542 -0.242 1 1 716 . 14 1 1 A 79 79 VAL CA C 79 59.500 62.449 -2.949 1 1 717 . 14 1 1 A 79 79 VAL CB C 79 32.600 32.794 -0.194 1 1 720 . 14 1 1 A 79 79 VAL N N 79 116.700 122.833 -6.133 1 1 721 . 14 1 1 A 80 80 GLY H H 80 6.970 7.105 -0.135 1 1 722 . 14 1 1 A 80 80 GLY HA2 H 80 4.380 4.016 0.364 1 1 723 . 14 1 1 A 80 80 GLY HA3 H 80 3.550 4.027 -0.477 1 1 724 . 14 1 1 A 80 80 GLY CA C 80 46.900 45.382 1.518 1 1 725 . 14 1 1 A 80 80 GLY N N 80 106.200 109.018 -2.818 1 1 726 . 14 1 1 A 81 81 VAL H H 81 8.510 8.391 0.119 1 1 727 . 14 1 1 A 81 81 VAL HA H 81 4.900 4.900 0.000 1 1 735 . 14 1 1 A 81 81 VAL CA C 81 59.400 60.255 -0.855 1 1 736 . 14 1 1 A 81 81 VAL CB C 81 37.600 35.806 1.794 1 1 739 . 14 1 1 A 81 81 VAL N N 81 116.200 119.653 -3.453 1 1 740 . 14 1 1 A 82 82 TYR H H 82 8.370 8.418 -0.048 1 1 741 . 14 1 1 A 82 82 TYR HA H 82 6.000 5.966 0.034 1 1 748 . 14 1 1 A 82 82 TYR CA C 82 54.900 55.538 -0.638 1 1 749 . 14 1 1 A 82 82 TYR CB C 82 42.800 42.331 0.469 1 1 752 . 14 1 1 A 82 82 TYR N N 82 118.100 121.253 -3.153 1 1 753 . 14 1 1 A 83 83 HIS H H 83 8.520 9.094 -0.574 1 1 754 . 14 1 1 A 83 83 HIS HA H 83 5.150 5.252 -0.102 1 1 759 . 14 1 1 A 83 83 HIS CA C 83 54.900 54.346 0.554 1 1 760 . 14 1 1 A 83 83 HIS CB C 83 33.200 33.241 -0.041 1 1 763 . 14 1 1 A 83 83 HIS N N 83 115.400 119.769 -4.369 1 1 764 . 14 1 1 A 84 84 SER H H 84 9.060 8.850 0.210 1 1 765 . 14 1 1 A 84 84 SER HA H 84 5.590 5.314 0.276 1 1 768 . 14 1 1 A 84 84 SER CA C 84 55.800 56.859 -1.059 1 1 769 . 14 1 1 A 84 84 SER CB C 84 65.500 65.193 0.307 1 1 770 . 14 1 1 A 84 84 SER N N 84 117.100 117.574 -0.474 1 1 771 . 14 1 1 A 85 85 HIS H H 85 8.980 9.142 -0.162 1 1 772 . 14 1 1 A 85 85 HIS HA H 85 4.830 4.919 -0.089 1 1 777 . 14 1 1 A 85 85 HIS CA C 85 50.400 54.146 -3.746 1 1 778 . 14 1 1 A 85 85 HIS CB C 85 32.000 31.492 0.508 1 1 781 . 14 1 1 A 85 85 HIS N N 85 117.600 124.798 -7.198 1 1 782 . 14 1 1 A 86 86 PRO HA H 86 5.080 4.555 0.525 1 1 789 . 14 1 1 A 86 86 PRO CA C 86 62.400 63.809 -1.409 1 1 790 . 14 1 1 A 86 86 PRO CB C 86 32.400 32.513 -0.113 1 1 793 . 14 1 1 A 87 87 ASP H H 87 10.300 7.935 2.365 1 1 794 . 14 1 1 A 87 87 ASP HA H 87 4.320 4.975 -0.655 1 1 797 . 14 1 1 A 87 87 ASP CA C 87 56.600 53.720 2.880 1 1 798 . 14 1 1 A 87 87 ASP CB C 87 39.600 43.958 -4.358 1 1 799 . 14 1 1 A 87 87 ASP N N 87 123.100 119.413 3.687 1 1 800 . 14 1 1 A 88 88 HIS H H 88 7.500 8.637 -1.137 1 1 801 . 14 1 1 A 88 88 HIS HA H 88 5.050 4.641 0.409 1 1 806 . 14 1 1 A 88 88 HIS CA C 88 54.700 57.192 -2.492 1 1 807 . 14 1 1 A 88 88 HIS CB C 88 32.400 28.633 3.767 1 1 810 . 14 1 1 A 88 88 HIS N N 88 115.000 121.758 -6.758 1 1 811 . 14 1 1 A 89 89 PRO HA H 89 4.370 4.576 -0.206 1 1 818 . 14 1 1 A 89 89 PRO CA C 89 62.700 62.472 0.228 1 1 819 . 14 1 1 A 89 89 PRO CB C 89 31.600 33.298 -1.698 1 1 822 . 14 1 1 A 90 90 ALA H H 90 8.020 8.418 -0.398 1 1 823 . 14 1 1 A 90 90 ALA HA H 90 4.290 4.357 -0.067 1 1 827 . 14 1 1 A 90 90 ALA CA C 90 50.800 51.489 -0.689 1 1 828 . 14 1 1 A 90 90 ALA CB C 90 16.600 17.699 -1.099 1 1 829 . 14 1 1 A 90 90 ALA N N 90 125.800 122.500 3.300 1 1 830 . 14 1 1 A 91 91 ARG H H 91 7.990 8.266 -0.276 1 1 831 . 14 1 1 A 91 91 ARG HA H 91 4.300 4.888 -0.588 1 1 838 . 14 1 1 A 91 91 ARG CA C 91 53.100 52.772 0.328 1 1 839 . 14 1 1 A 91 91 ARG CB C 91 31.800 32.605 -0.805 1 1 842 . 14 1 1 A 91 91 ARG N N 91 121.900 121.543 0.357 1 1 843 . 14 1 1 A 92 92 PRO HA H 92 4.070 4.467 -0.397 1 1 850 . 14 1 1 A 92 92 PRO CA C 92 62.300 62.949 -0.649 1 1 851 . 14 1 1 A 92 92 PRO CB C 92 32.500 31.826 0.674 1 1 854 . 14 1 1 A 93 93 SER H H 93 9.960 8.710 1.250 1 1 855 . 14 1 1 A 93 93 SER HA H 93 4.630 4.724 -0.094 1 1 858 . 14 1 1 A 93 93 SER CA C 93 56.300 56.326 -0.026 1 1 859 . 14 1 1 A 93 93 SER CB C 93 66.500 65.436 1.064 1 1 860 . 14 1 1 A 93 93 SER N N 93 121.800 117.654 4.146 1 1 861 . 14 1 1 A 94 94 ALA H H 94 8.880 8.957 -0.077 1 1 862 . 14 1 1 A 94 94 ALA HA H 94 4.130 3.998 0.132 1 1 866 . 14 1 1 A 94 94 ALA CA C 94 55.400 55.338 0.062 1 1 867 . 14 1 1 A 94 94 ALA CB C 94 18.000 18.257 -0.257 1 1 868 . 14 1 1 A 94 94 ALA N N 94 123.100 127.077 -3.977 1 1 869 . 14 1 1 A 95 95 THR H H 95 7.870 7.884 -0.014 1 1 870 . 14 1 1 A 95 95 THR HA H 95 3.920 3.927 -0.007 1 1 875 . 14 1 1 A 95 95 THR CA C 95 65.700 66.452 -0.752 1 1 876 . 14 1 1 A 95 95 THR CB C 95 68.400 68.617 -0.217 1 1 878 . 14 1 1 A 95 95 THR N N 95 114.300 113.845 0.455 1 1 879 . 14 1 1 A 96 96 ASP H H 96 7.420 8.283 -0.863 1 1 880 . 14 1 1 A 96 96 ASP HA H 96 4.230 4.388 -0.158 1 1 883 . 14 1 1 A 96 96 ASP CA C 96 57.400 57.491 -0.091 1 1 884 . 14 1 1 A 96 96 ASP CB C 96 40.100 42.333 -2.233 1 1 885 . 14 1 1 A 96 96 ASP N N 96 121.000 121.225 -0.225 1 1 886 . 14 1 1 A 97 97 LEU H H 97 7.490 8.079 -0.589 1 1 887 . 14 1 1 A 97 97 LEU HA H 97 4.000 4.279 -0.279 1 1 897 . 14 1 1 A 97 97 LEU CA C 97 57.600 57.936 -0.336 1 1 898 . 14 1 1 A 97 97 LEU CB C 97 41.400 41.495 -0.095 1 1 902 . 14 1 1 A 97 97 LEU N N 97 118.900 120.508 -1.608 1 1 903 . 14 1 1 A 98 98 GLU H H 98 7.690 8.041 -0.351 1 1 904 . 14 1 1 A 98 98 GLU HA H 98 3.900 4.048 -0.148 1 1 909 . 14 1 1 A 98 98 GLU CA C 98 58.700 59.587 -0.887 1 1 910 . 14 1 1 A 98 98 GLU CB C 98 29.600 28.974 0.626 1 1 912 . 14 1 1 A 98 98 GLU N N 98 119.100 118.429 0.671 1 1 913 . 14 1 1 A 99 99 GLU H H 99 7.500 8.022 -0.522 1 1 914 . 14 1 1 A 99 99 GLU HA H 99 4.200 4.363 -0.163 1 1 919 . 14 1 1 A 99 99 GLU CA C 99 56.100 57.656 -1.556 1 1 920 . 14 1 1 A 99 99 GLU CB C 99 30.000 29.729 0.271 1 1 922 . 14 1 1 A 99 99 GLU N N 99 114.300 117.690 -3.390 1 1 923 . 14 1 1 A 100 100 ALA H H 100 7.400 7.841 -0.441 1 1 924 . 14 1 1 A 100 100 ALA HA H 100 4.620 4.315 0.305 1 1 928 . 14 1 1 A 100 100 ALA CA C 100 52.000 50.522 1.478 1 1 929 . 14 1 1 A 100 100 ALA CB C 100 18.100 18.852 -0.752 1 1 930 . 14 1 1 A 100 100 ALA N N 100 125.900 123.655 2.245 1 1 931 . 14 1 1 A 101 101 THR H H 101 7.790 8.873 -1.083 1 1 932 . 14 1 1 A 101 101 THR HA H 101 4.050 4.505 -0.455 1 1 937 . 14 1 1 A 101 101 THR CA C 101 61.200 62.330 -1.130 1 1 938 . 14 1 1 A 101 101 THR CB C 101 68.900 69.780 -0.880 1 1 940 . 14 1 1 A 101 101 THR N N 101 111.700 117.712 -6.012 1 1 941 . 14 1 1 A 102 102 PHE H H 102 7.320 7.474 -0.154 1 1 942 . 14 1 1 A 102 102 PHE HA H 102 4.750 4.981 -0.231 1 1 950 . 14 1 1 A 102 102 PHE CA C 102 54.300 54.700 -0.400 1 1 951 . 14 1 1 A 102 102 PHE CB C 102 38.200 39.431 -1.231 1 1 955 . 14 1 1 A 102 102 PHE N N 102 120.200 116.516 3.684 1 1 956 . 14 1 1 A 103 103 PRO HA H 103 4.480 4.397 0.083 1 1 963 . 14 1 1 A 103 103 PRO CA C 103 64.100 63.558 0.542 1 1 964 . 14 1 1 A 103 103 PRO CB C 103 32.000 31.646 0.354 1 1 967 . 14 1 1 A 104 104 GLY H H 104 8.920 8.758 0.162 1 1 968 . 14 1 1 A 104 104 GLY HA2 H 104 4.270 3.683 0.587 1 1 969 . 14 1 1 A 104 104 GLY HA3 H 104 4.160 3.858 0.302 1 1 970 . 14 1 1 A 104 104 GLY CA C 104 45.600 45.288 0.312 1 1 971 . 14 1 1 A 104 104 GLY N N 104 109.600 111.922 -2.322 1 1 972 . 14 1 1 A 105 105 PHE H H 105 7.250 7.751 -0.501 1 1 973 . 14 1 1 A 105 105 PHE HA H 105 4.930 4.519 0.411 1 1 981 . 14 1 1 A 105 105 PHE CA C 105 54.900 58.087 -3.187 1 1 982 . 14 1 1 A 105 105 PHE CB C 105 39.400 39.885 -0.485 1 1 986 . 14 1 1 A 105 105 PHE N N 105 120.100 119.500 0.600 1 1 987 . 14 1 1 A 106 106 THR H H 106 8.110 8.628 -0.518 1 1 988 . 14 1 1 A 106 106 THR HA H 106 4.840 4.685 0.155 1 1 993 . 14 1 1 A 106 106 THR CA C 106 64.400 62.308 2.092 1 1 994 . 14 1 1 A 106 106 THR CB C 106 70.500 69.384 1.116 1 1 996 . 14 1 1 A 106 106 THR N N 106 118.600 116.680 1.920 1 1 997 . 14 1 1 A 107 107 TYR H H 107 9.660 9.385 0.275 1 1 998 . 14 1 1 A 107 107 TYR HA H 107 5.150 5.722 -0.572 1 1 1005 . 14 1 1 A 107 107 TYR CA C 107 56.900 57.135 -0.235 1 1 1006 . 14 1 1 A 107 107 TYR CB C 107 38.900 39.627 -0.727 1 1 1009 . 14 1 1 A 107 107 TYR N N 107 126.600 127.246 -0.646 1 1 1010 . 14 1 1 A 108 108 VAL H H 108 9.270 9.407 -0.137 1 1 1011 . 14 1 1 A 108 108 VAL HA H 108 5.220 4.777 0.443 1 1 1019 . 14 1 1 A 108 108 VAL CA C 108 60.800 62.037 -1.237 1 1 1020 . 14 1 1 A 108 108 VAL CB C 108 33.500 32.941 0.559 1 1 1023 . 14 1 1 A 108 108 VAL N N 108 124.400 123.892 0.508 1 1 1024 . 14 1 1 A 109 109 ILE H H 109 9.300 9.800 -0.500 1 1 1025 . 14 1 1 A 109 109 ILE HA H 109 5.150 4.900 0.250 1 1 1035 . 14 1 1 A 109 109 ILE CA C 109 58.000 59.337 -1.337 1 1 1036 . 14 1 1 A 109 109 ILE CB C 109 39.600 39.328 0.272 1 1 1040 . 14 1 1 A 109 109 ILE N N 109 128.500 128.833 -0.333 1 1 1041 . 14 1 1 A 110 110 VAL H H 110 7.910 8.799 -0.889 1 1 1042 . 14 1 1 A 110 110 VAL HA H 110 5.650 4.754 0.896 1 1 1050 . 14 1 1 A 110 110 VAL CA C 110 56.800 59.870 -3.070 1 1 1051 . 14 1 1 A 110 110 VAL CB C 110 35.400 34.130 1.270 1 1 1054 . 14 1 1 A 110 110 VAL N N 110 122.600 129.432 -6.832 1 1 1055 . 14 1 1 A 111 111 SER H H 111 9.390 8.775 0.615 1 1 1056 . 14 1 1 A 111 111 SER HA H 111 4.850 4.824 0.026 1 1 1059 . 14 1 1 A 111 111 SER CA C 111 57.700 56.882 0.818 1 1 1060 . 14 1 1 A 111 111 SER CB C 111 64.500 63.873 0.627 1 1 1061 . 14 1 1 A 111 111 SER N N 111 124.700 124.414 0.286 1 1 1062 . 14 1 1 A 112 112 VAL H H 112 7.850 9.086 -1.236 1 1 1063 . 14 1 1 A 112 112 VAL HA H 112 4.530 4.869 -0.339 1 1 1071 . 14 1 1 A 112 112 VAL CA C 112 61.000 60.935 0.065 1 1 1072 . 14 1 1 A 112 112 VAL CB C 112 33.800 34.337 -0.537 1 1 1075 . 14 1 1 A 112 112 VAL N N 112 126.100 128.274 -2.174 1 1 1076 . 14 1 1 A 113 113 ARG H H 113 8.620 9.140 -0.520 1 1 1077 . 14 1 1 A 113 113 ARG HA H 113 5.020 4.689 0.331 1 1 1084 . 14 1 1 A 113 113 ARG CA C 113 54.100 54.399 -0.299 1 1 1085 . 14 1 1 A 113 113 ARG CB C 113 31.500 31.218 0.282 1 1 1088 . 14 1 1 A 113 113 ARG N N 113 128.800 126.658 2.142 1 1 1089 . 14 1 1 A 114 114 ASP H H 114 9.650 9.348 0.302 1 1 1090 . 14 1 1 A 114 114 ASP HA H 114 4.370 4.575 -0.205 1 1 1093 . 14 1 1 A 114 114 ASP CA C 114 55.100 55.076 0.024 1 1 1094 . 14 1 1 A 114 114 ASP CB C 114 39.800 39.849 -0.049 1 1 1095 . 14 1 1 A 114 114 ASP N N 114 128.100 124.611 3.489 1 1 1096 . 14 1 1 A 115 115 GLY H H 115 8.350 8.319 0.031 1 1 1097 . 14 1 1 A 115 115 GLY HA2 H 115 3.980 3.821 0.159 1 1 1098 . 14 1 1 A 115 115 GLY HA3 H 115 2.460 3.834 -1.374 1 1 1099 . 14 1 1 A 115 115 GLY CA C 115 45.500 45.171 0.329 1 1 1100 . 14 1 1 A 115 115 GLY N N 115 109.900 105.912 3.988 1 1 1101 . 14 1 1 A 116 116 ALA H H 116 7.610 7.350 0.260 1 1 1102 . 14 1 1 A 116 116 ALA HA H 116 4.920 4.470 0.450 1 1 1106 . 14 1 1 A 116 116 ALA CA C 116 48.200 49.434 -1.234 1 1 1107 . 14 1 1 A 116 116 ALA CB C 116 19.600 19.566 0.034 1 1 1108 . 14 1 1 A 116 116 ALA N N 116 123.900 124.364 -0.464 1 1 1109 . 14 1 1 A 117 117 PRO HA H 117 4.670 4.641 0.029 1 1 1116 . 14 1 1 A 117 117 PRO CA C 117 62.900 62.480 0.420 1 1 1117 . 14 1 1 A 117 117 PRO CB C 117 31.500 31.737 -0.237 1 1 1120 . 14 1 1 A 118 118 GLU H H 118 8.900 9.387 -0.487 1 1 1121 . 14 1 1 A 118 118 GLU HA H 118 4.540 4.296 0.244 1 1 1126 . 14 1 1 A 118 118 GLU CA C 118 56.200 58.421 -2.221 1 1 1127 . 14 1 1 A 118 118 GLU CB C 118 30.500 30.205 0.295 1 1 1129 . 14 1 1 A 118 118 GLU N N 118 127.400 123.581 3.819 1 1 1130 . 14 1 1 A 119 119 ALA H H 119 8.060 7.689 0.371 1 1 1131 . 14 1 1 A 119 119 ALA HA H 119 4.460 4.654 -0.194 1 1 1135 . 14 1 1 A 119 119 ALA CA C 119 52.600 51.087 1.513 1 1 1136 . 14 1 1 A 119 119 ALA CB C 119 21.000 23.366 -2.366 1 1 1137 . 14 1 1 A 119 119 ALA N N 119 123.500 119.338 4.162 1 1 1138 . 14 1 1 A 120 120 LEU H H 120 8.170 8.537 -0.367 1 1 1139 . 14 1 1 A 120 120 LEU HA H 120 5.400 5.200 0.200 1 1 1149 . 14 1 1 A 120 120 LEU CA C 120 55.000 53.562 1.438 1 1 1150 . 14 1 1 A 120 120 LEU CB C 120 45.300 43.266 2.034 1 1 1154 . 14 1 1 A 120 120 LEU N N 120 123.500 120.266 3.234 1 1 1155 . 14 1 1 A 121 121 THR H H 121 9.450 9.187 0.263 1 1 1156 . 14 1 1 A 121 121 THR HA H 121 4.520 5.225 -0.705 1 1 1161 . 14 1 1 A 121 121 THR CA C 121 58.700 60.196 -1.496 1 1 1162 . 14 1 1 A 121 121 THR CB C 121 72.100 71.145 0.955 1 1 1164 . 14 1 1 A 121 121 THR N N 121 117.400 116.128 1.272 1 1 1165 . 14 1 1 A 122 122 ALA H H 122 8.620 8.727 -0.107 1 1 1166 . 14 1 1 A 122 122 ALA HA H 122 5.370 5.492 -0.122 1 1 1170 . 14 1 1 A 122 122 ALA CA C 122 50.400 49.822 0.578 1 1 1171 . 14 1 1 A 122 122 ALA CB C 122 21.900 22.383 -0.483 1 1 1172 . 14 1 1 A 122 122 ALA N N 122 123.400 125.832 -2.432 1 1 1173 . 14 1 1 A 123 123 TRP H H 123 8.740 9.437 -0.697 1 1 1174 . 14 1 1 A 123 123 TRP HA H 123 5.090 5.450 -0.360 1 1 1183 . 14 1 1 A 123 123 TRP CA C 123 56.700 56.350 0.350 1 1 1184 . 14 1 1 A 123 123 TRP CB C 123 33.300 33.359 -0.059 1 1 1190 . 14 1 1 A 123 123 TRP N N 123 118.700 121.122 -2.422 1 1 1192 . 14 1 1 A 124 124 ALA H H 124 9.570 9.577 -0.007 1 1 1193 . 14 1 1 A 124 124 ALA HA H 124 5.360 5.316 0.044 1 1 1197 . 14 1 1 A 124 124 ALA CA C 124 50.300 50.522 -0.222 1 1 1198 . 14 1 1 A 124 124 ALA CB C 124 22.600 20.547 2.053 1 1 1199 . 14 1 1 A 124 124 ALA N N 124 123.200 125.948 -2.748 1 1 1200 . 14 1 1 A 125 125 LEU H H 125 9.830 9.164 0.666 1 1 1201 . 14 1 1 A 125 125 LEU HA H 125 4.190 4.805 -0.615 1 1 1211 . 14 1 1 A 125 125 LEU CA C 125 54.700 54.670 0.030 1 1 1212 . 14 1 1 A 125 125 LEU CB C 125 44.000 43.114 0.886 1 1 1216 . 14 1 1 A 125 125 LEU N N 125 125.000 126.732 -1.732 1 1 1217 . 14 1 1 A 126 126 ALA H H 126 8.310 8.403 -0.093 1 1 1218 . 14 1 1 A 126 126 ALA HA H 126 4.460 4.513 -0.053 1 1 1222 . 14 1 1 A 126 126 ALA CA C 126 51.100 50.841 0.259 1 1 1223 . 14 1 1 A 126 126 ALA CB C 126 18.300 17.916 0.384 1 1 1224 . 14 1 1 A 126 126 ALA N N 126 127.000 129.924 -2.924 1 1 1225 . 14 1 1 A 127 127 PRO HA H 127 4.340 4.287 0.053 1 1 1232 . 14 1 1 A 127 127 PRO CA C 127 65.400 64.932 0.468 1 1 1233 . 14 1 1 A 127 127 PRO CB C 127 31.800 31.866 -0.066 1 1 1236 . 14 1 1 A 128 128 ASP H H 128 7.680 7.982 -0.302 1 1 1237 . 14 1 1 A 128 128 ASP HA H 128 4.550 4.592 -0.042 1 1 1240 . 14 1 1 A 128 128 ASP CA C 128 52.900 55.344 -2.444 1 1 1241 . 14 1 1 A 128 128 ASP CB C 128 39.600 40.909 -1.309 1 1 1242 . 14 1 1 A 128 128 ASP N N 128 113.100 116.410 -3.310 1 1 1243 . 14 1 1 A 129 129 ARG H H 129 8.500 8.437 0.063 1 1 1244 . 14 1 1 A 129 129 ARG HA H 129 3.500 3.878 -0.378 1 1 1251 . 14 1 1 A 129 129 ARG CA C 129 57.600 56.904 0.696 1 1 1252 . 14 1 1 A 129 129 ARG CB C 129 26.900 27.886 -0.986 1 1 1255 . 14 1 1 A 129 129 ARG N N 129 113.100 118.643 -5.543 1 1 1256 . 14 1 1 A 130 130 SER H H 130 8.050 7.875 0.175 1 1 1257 . 14 1 1 A 130 130 SER HA H 130 4.020 4.438 -0.418 1 1 1260 . 14 1 1 A 130 130 SER CA C 130 60.100 59.081 1.019 1 1 1261 . 14 1 1 A 130 130 SER CB C 130 63.600 64.373 -0.773 1 1 1262 . 14 1 1 A 130 130 SER N N 130 111.100 114.885 -3.785 1 1 1263 . 14 1 1 A 131 131 GLU H H 131 7.060 7.652 -0.592 1 1 1264 . 14 1 1 A 131 131 GLU HA H 131 4.420 4.398 0.022 1 1 1269 . 14 1 1 A 131 131 GLU CA C 131 54.400 55.010 -0.610 1 1 1270 . 14 1 1 A 131 131 GLU CB C 131 31.800 31.778 0.022 1 1 1272 . 14 1 1 A 131 131 GLU N N 131 114.400 117.574 -3.174 1 1 1273 . 14 1 1 A 132 132 PHE H H 132 8.740 8.495 0.245 1 1 1274 . 14 1 1 A 132 132 PHE HA H 132 5.390 5.524 -0.134 1 1 1282 . 14 1 1 A 132 132 PHE CA C 132 57.200 56.649 0.551 1 1 1283 . 14 1 1 A 132 132 PHE CB C 132 42.900 41.774 1.126 1 1 1287 . 14 1 1 A 132 132 PHE N N 132 117.300 117.271 0.029 1 1 1288 . 14 1 1 A 133 133 HIS H H 133 9.870 9.451 0.419 1 1 1289 . 14 1 1 A 133 133 HIS HA H 133 5.380 5.177 0.203 1 1 1294 . 14 1 1 A 133 133 HIS CA C 133 53.300 54.606 -1.306 1 1 1295 . 14 1 1 A 133 133 HIS CB C 133 32.700 33.085 -0.385 1 1 1298 . 14 1 1 A 133 133 HIS N N 133 117.900 118.567 -0.667 1 1 1299 . 14 1 1 A 134 134 ARG H H 134 9.080 8.575 0.505 1 1 1300 . 14 1 1 A 134 134 ARG HA H 134 3.500 3.841 -0.341 1 1 1307 . 14 1 1 A 134 134 ARG CA C 134 57.100 56.418 0.682 1 1 1308 . 14 1 1 A 134 134 ARG CB C 134 30.100 30.534 -0.434 1 1 1311 . 14 1 1 A 134 134 ARG N N 134 125.600 124.062 1.538 1 1 1312 . 14 1 1 A 135 135 GLU H H 135 8.410 9.040 -0.630 1 1 1313 . 14 1 1 A 135 135 GLU HA H 135 4.550 4.777 -0.227 1 1 1318 . 14 1 1 A 135 135 GLU CA C 135 54.000 55.298 -1.298 1 1 1319 . 14 1 1 A 135 135 GLU CB C 135 33.000 32.291 0.709 1 1 1321 . 14 1 1 A 135 135 GLU N N 135 128.500 126.820 1.680 1 1 1322 . 14 1 1 A 136 136 ASP H H 136 8.480 8.746 -0.266 1 1 1323 . 14 1 1 A 136 136 ASP HA H 136 4.460 5.379 -0.919 1 1 1326 . 14 1 1 A 136 136 ASP CA C 136 54.700 52.769 1.931 1 1 1327 . 14 1 1 A 136 136 ASP CB C 136 41.500 44.482 -2.982 1 1 1328 . 14 1 1 A 136 136 ASP N N 136 124.300 120.987 3.313 1 1 1329 . 14 1 1 A 137 137 ILE H H 137 8.340 8.607 -0.267 1 1 1330 . 14 1 1 A 137 137 ILE HA H 137 4.570 4.564 0.006 1 1 1340 . 14 1 1 A 137 137 ILE CA C 137 61.400 60.251 1.149 1 1 1341 . 14 1 1 A 137 137 ILE CB C 137 38.600 37.430 1.170 1 1 1345 . 14 1 1 A 137 137 ILE N N 137 121.100 126.063 -4.963 1 1 1346 . 14 1 1 A 138 138 VAL H H 138 8.730 9.385 -0.655 1 1 1347 . 14 1 1 A 138 138 VAL HA H 138 4.570 4.622 -0.052 1 1 1355 . 14 1 1 A 138 138 VAL CA C 138 59.800 60.453 -0.653 1 1 1356 . 14 1 1 A 138 138 VAL CB C 138 34.700 35.640 -0.940 1 1 1359 . 14 1 1 A 138 138 VAL N N 138 125.100 128.074 -2.974 1 1 1360 . 14 1 1 A 139 139 ARG H H 139 8.390 8.327 0.063 1 1 1361 . 14 1 1 A 139 139 ARG HA H 139 5.210 4.775 0.435 1 1 1368 . 14 1 1 A 139 139 ARG CA C 139 53.500 53.585 -0.085 1 1 1369 . 14 1 1 A 139 139 ARG CB C 139 30.100 30.004 0.096 1 1 1372 . 14 1 1 A 139 139 ARG N N 139 122.800 125.321 -2.521 1 1 1373 . 14 1 1 A 140 140 PRO HA H 140 4.380 4.729 -0.349 1 1 1380 . 14 1 1 A 140 140 PRO CA C 140 62.400 62.393 0.007 1 1 1381 . 14 1 1 A 140 140 PRO CB C 140 32.000 31.574 0.426 1 1 1384 . 14 1 1 A 141 141 ASP H H 141 8.520 8.516 0.004 1 1 1385 . 14 1 1 A 141 141 ASP HA H 141 4.780 4.733 0.047 1 1 1388 . 14 1 1 A 141 141 ASP CA C 141 54.500 51.874 2.626 1 1 1389 . 14 1 1 A 141 141 ASP CB C 141 40.600 42.048 -1.448 1 1 1390 . 14 1 1 A 141 141 ASP N N 141 122.200 122.626 -0.426 1 1 1391 . 14 1 1 A 142 142 PRO HA H 142 4.380 4.482 -0.102 1 1 1398 . 14 1 1 A 142 142 PRO CA C 142 63.500 63.807 -0.307 1 1 1399 . 14 1 1 A 142 142 PRO CB C 142 32.000 31.593 0.407 1 1 1402 . 14 1 1 A 143 143 GLU H H 143 8.460 8.180 0.280 1 1 1403 . 14 1 1 A 143 143 GLU HA H 143 4.260 4.542 -0.282 1 1 1408 . 14 1 1 A 143 143 GLU CA C 143 56.000 56.314 -0.314 1 1 1409 . 14 1 1 A 143 143 GLU CB C 143 30.000 30.994 -0.994 1 1 1411 . 14 1 1 A 143 143 GLU N N 143 119.500 119.141 0.359 1 1 1412 . 14 1 1 A 144 144 ALA H H 144 8.030 7.689 0.341 1 1 1413 . 14 1 1 A 144 144 ALA HA H 144 4.590 4.505 0.085 1 1 1417 . 14 1 1 A 144 144 ALA CA C 144 50.300 50.050 0.250 1 1 1418 . 14 1 1 A 144 144 ALA CB C 144 18.300 19.649 -1.349 1 1 1419 . 14 1 1 A 144 144 ALA N N 144 125.800 123.746 2.054 1 1 1420 . 14 1 1 A 145 145 PRO HA H 145 4.400 4.442 -0.042 1 1 1427 . 14 1 1 A 145 145 PRO CA C 145 62.900 63.281 -0.381 1 1 1428 . 14 1 1 A 145 145 PRO CB C 145 32.000 32.046 -0.046 1 1 1431 . 14 1 1 A 146 146 LEU H H 146 8.330 8.293 0.037 1 1 1432 . 14 1 1 A 146 146 LEU HA H 146 4.230 4.605 -0.375 1 1 1442 . 14 1 1 A 146 146 LEU CA C 146 55.100 52.938 2.162 1 1 1443 . 14 1 1 A 146 146 LEU CB C 146 42.200 43.964 -1.764 1 1 1447 . 14 1 1 A 146 146 LEU N N 146 122.100 118.248 3.852 1 1 1448 . 14 1 1 A 147 147 GLU H H 147 8.300 8.270 0.030 1 1 1449 . 14 1 1 A 147 147 GLU HA H 147 4.220 4.430 -0.210 1 1 1454 . 14 1 1 A 147 147 GLU CA C 147 56.200 56.837 -0.637 1 1 1455 . 14 1 1 A 147 147 GLU CB C 147 30.300 30.477 -0.177 1 1 13 . 15 1 1 A 2 2 LYS H H 2 9.020 8.504 0.516 1 1 14 . 15 1 1 A 2 2 LYS HA H 2 5.640 5.690 -0.050 1 1 23 . 15 1 1 A 2 2 LYS CA C 2 53.700 54.988 -1.288 1 1 24 . 15 1 1 A 2 2 LYS CB C 2 34.900 33.854 1.046 1 1 28 . 15 1 1 A 2 2 LYS N N 2 125.700 126.337 -0.637 1 1 29 . 15 1 1 A 3 3 THR H H 3 8.850 8.765 0.085 1 1 30 . 15 1 1 A 3 3 THR HA H 3 4.660 4.722 -0.062 1 1 36 . 15 1 1 A 3 3 THR CA C 3 61.600 60.373 1.227 1 1 37 . 15 1 1 A 3 3 THR CB C 3 68.200 70.178 -1.978 1 1 39 . 15 1 1 A 3 3 THR N N 3 117.000 116.913 0.087 1 1 40 . 15 1 1 A 4 4 THR H H 4 8.100 8.272 -0.172 1 1 41 . 15 1 1 A 4 4 THR HA H 4 4.790 4.933 -0.143 1 1 46 . 15 1 1 A 4 4 THR CA C 4 58.500 58.931 -0.431 1 1 47 . 15 1 1 A 4 4 THR CB C 4 68.400 69.459 -1.059 1 1 49 . 15 1 1 A 4 4 THR N N 4 110.200 115.497 -5.297 1 1 50 . 15 1 1 A 5 5 PRO HA H 5 4.110 4.259 -0.149 1 1 57 . 15 1 1 A 5 5 PRO CA C 5 65.300 65.455 -0.155 1 1 58 . 15 1 1 A 5 5 PRO CB C 5 31.800 31.670 0.130 1 1 61 . 15 1 1 A 6 6 ASP H H 6 8.530 8.417 0.113 1 1 62 . 15 1 1 A 6 6 ASP HA H 6 4.350 4.399 -0.049 1 1 65 . 15 1 1 A 6 6 ASP CA C 6 56.300 57.013 -0.713 1 1 66 . 15 1 1 A 6 6 ASP CB C 6 39.500 41.591 -2.091 1 1 67 . 15 1 1 A 6 6 ASP N N 6 114.600 117.243 -2.643 1 1 68 . 15 1 1 A 7 7 ILE H H 7 7.270 7.439 -0.169 1 1 69 . 15 1 1 A 7 7 ILE HA H 7 3.620 3.738 -0.118 1 1 79 . 15 1 1 A 7 7 ILE CA C 7 61.900 64.519 -2.619 1 1 80 . 15 1 1 A 7 7 ILE CB C 7 34.900 37.537 -2.637 1 1 84 . 15 1 1 A 7 7 ILE N N 7 121.700 119.750 1.950 1 1 85 . 15 1 1 A 8 8 LEU H H 8 6.960 8.229 -1.269 1 1 86 . 15 1 1 A 8 8 LEU HA H 8 3.710 3.805 -0.095 1 1 96 . 15 1 1 A 8 8 LEU CA C 8 57.800 58.201 -0.401 1 1 97 . 15 1 1 A 8 8 LEU CB C 8 39.900 41.329 -1.429 1 1 101 . 15 1 1 A 8 8 LEU N N 8 117.200 120.122 -2.922 1 1 102 . 15 1 1 A 9 9 ASP H H 9 8.220 8.481 -0.261 1 1 103 . 15 1 1 A 9 9 ASP HA H 9 4.330 4.279 0.051 1 1 106 . 15 1 1 A 9 9 ASP CA C 9 57.600 57.841 -0.241 1 1 107 . 15 1 1 A 9 9 ASP CB C 9 40.100 41.108 -1.008 1 1 108 . 15 1 1 A 9 9 ASP N N 9 117.600 119.027 -1.427 1 1 109 . 15 1 1 A 10 10 GLN H H 10 7.630 7.558 0.072 1 1 110 . 15 1 1 A 10 10 GLN HA H 10 3.850 4.061 -0.211 1 1 117 . 15 1 1 A 10 10 GLN CA C 10 59.200 58.640 0.560 1 1 118 . 15 1 1 A 10 10 GLN CB C 10 29.300 28.214 1.086 1 1 120 . 15 1 1 A 10 10 GLN N N 10 118.700 117.870 0.830 1 1 122 . 15 1 1 A 11 11 ILE H H 11 7.590 7.873 -0.283 1 1 123 . 15 1 1 A 11 11 ILE HA H 11 2.960 3.638 -0.678 1 1 133 . 15 1 1 A 11 11 ILE CA C 11 65.800 65.259 0.541 1 1 134 . 15 1 1 A 11 11 ILE CB C 11 37.500 37.384 0.116 1 1 138 . 15 1 1 A 11 11 ILE N N 11 121.700 121.154 0.546 1 1 139 . 15 1 1 A 12 12 ARG H H 12 7.720 7.888 -0.168 1 1 140 . 15 1 1 A 12 12 ARG HA H 12 3.610 4.034 -0.424 1 1 147 . 15 1 1 A 12 12 ARG CA C 12 61.300 59.593 1.707 1 1 148 . 15 1 1 A 12 12 ARG CB C 12 30.100 29.929 0.171 1 1 151 . 15 1 1 A 12 12 ARG N N 12 118.400 120.398 -1.998 1 1 152 . 15 1 1 A 13 13 VAL H H 13 8.480 8.091 0.389 1 1 153 . 15 1 1 A 13 13 VAL HA H 13 3.640 3.654 -0.014 1 1 161 . 15 1 1 A 13 13 VAL CA C 13 66.400 66.397 0.003 1 1 162 . 15 1 1 A 13 13 VAL CB C 13 31.600 31.563 0.037 1 1 165 . 15 1 1 A 13 13 VAL N N 13 118.400 120.414 -2.014 1 1 166 . 15 1 1 A 14 14 HIS H H 14 7.790 8.005 -0.215 1 1 167 . 15 1 1 A 14 14 HIS HA H 14 4.620 4.341 0.279 1 1 172 . 15 1 1 A 14 14 HIS CA C 14 57.500 58.227 -0.727 1 1 173 . 15 1 1 A 14 14 HIS CB C 14 31.100 29.075 2.025 1 1 176 . 15 1 1 A 14 14 HIS N N 14 119.600 117.754 1.846 1 1 177 . 15 1 1 A 15 15 GLY H H 15 8.290 8.007 0.283 1 1 178 . 15 1 1 A 15 15 GLY HA2 H 15 3.400 3.862 -0.462 1 1 179 . 15 1 1 A 15 15 GLY HA3 H 15 3.620 3.897 -0.277 1 1 180 . 15 1 1 A 15 15 GLY CA C 15 47.800 47.344 0.456 1 1 181 . 15 1 1 A 15 15 GLY N N 15 104.200 107.272 -3.072 1 1 182 . 15 1 1 A 16 16 ALA H H 16 8.650 7.809 0.841 1 1 183 . 15 1 1 A 16 16 ALA HA H 16 3.940 4.035 -0.095 1 1 187 . 15 1 1 A 16 16 ALA CA C 16 55.500 54.532 0.968 1 1 188 . 15 1 1 A 16 16 ALA CB C 16 18.600 18.226 0.374 1 1 189 . 15 1 1 A 16 16 ALA N N 16 125.700 125.159 0.541 1 1 190 . 15 1 1 A 17 17 ASP H H 17 9.020 8.374 0.646 1 1 191 . 15 1 1 A 17 17 ASP HA H 17 4.420 4.343 0.077 1 1 194 . 15 1 1 A 17 17 ASP CA C 17 56.700 56.685 0.015 1 1 195 . 15 1 1 A 17 17 ASP CB C 17 41.300 40.986 0.314 1 1 196 . 15 1 1 A 17 17 ASP N N 17 119.300 119.264 0.036 1 1 197 . 15 1 1 A 18 18 ALA H H 18 8.210 7.478 0.732 1 1 198 . 15 1 1 A 18 18 ALA HA H 18 4.180 4.269 -0.089 1 1 202 . 15 1 1 A 18 18 ALA CA C 18 53.100 54.034 -0.934 1 1 203 . 15 1 1 A 18 18 ALA CB C 18 19.000 19.674 -0.674 1 1 204 . 15 1 1 A 18 18 ALA N N 18 118.300 119.628 -1.328 1 1 205 . 15 1 1 A 19 19 TYR H H 19 7.080 7.503 -0.423 1 1 206 . 15 1 1 A 19 19 TYR HA H 19 4.190 4.470 -0.280 1 1 213 . 15 1 1 A 19 19 TYR CA C 19 58.300 57.377 0.923 1 1 214 . 15 1 1 A 19 19 TYR CB C 19 39.100 39.420 -0.320 1 1 217 . 15 1 1 A 19 19 TYR N N 19 118.200 121.608 -3.408 1 1 218 . 15 1 1 A 20 20 PRO HA H 20 2.690 3.415 -0.725 1 1 225 . 15 1 1 A 20 20 PRO CA C 20 63.300 63.084 0.216 1 1 226 . 15 1 1 A 20 20 PRO CB C 20 33.500 32.130 1.370 1 1 229 . 15 1 1 A 21 21 GLU H H 21 8.660 7.412 1.248 1 1 230 . 15 1 1 A 21 21 GLU HA H 21 4.420 4.315 0.105 1 1 235 . 15 1 1 A 21 21 GLU CA C 21 55.300 55.837 -0.537 1 1 236 . 15 1 1 A 21 21 GLU CB C 21 30.400 30.380 0.020 1 1 238 . 15 1 1 A 21 21 GLU N N 21 124.800 116.998 7.802 1 1 239 . 15 1 1 A 22 22 GLU H H 22 8.290 8.518 -0.228 1 1 240 . 15 1 1 A 22 22 GLU HA H 22 3.990 4.407 -0.417 1 1 245 . 15 1 1 A 22 22 GLU CA C 22 56.400 56.316 0.084 1 1 246 . 15 1 1 A 22 22 GLU CB C 22 30.900 29.664 1.236 1 1 248 . 15 1 1 A 22 22 GLU N N 22 119.700 121.783 -2.083 1 1 249 . 15 1 1 A 23 23 GLY H H 23 8.770 8.532 0.238 1 1 250 . 15 1 1 A 23 23 GLY HA2 H 23 2.430 4.057 -1.627 1 1 251 . 15 1 1 A 23 23 GLY HA3 H 23 4.270 4.104 0.166 1 1 252 . 15 1 1 A 23 23 GLY CA C 23 42.900 45.356 -2.456 1 1 253 . 15 1 1 A 23 23 GLY N N 23 112.400 111.890 0.510 1 1 254 . 15 1 1 A 24 24 CYS H H 24 8.580 7.659 0.921 1 1 255 . 15 1 1 A 24 24 CYS HA H 24 4.630 4.227 0.403 1 1 258 . 15 1 1 A 24 24 CYS CA C 24 54.900 58.963 -4.063 1 1 259 . 15 1 1 A 24 24 CYS CB C 24 31.300 28.851 2.449 1 1 260 . 15 1 1 A 24 24 CYS N N 24 118.100 118.848 -0.748 1 1 261 . 15 1 1 A 25 25 GLY H H 25 6.730 7.574 -0.844 1 1 262 . 15 1 1 A 25 25 GLY HA2 H 25 3.650 3.861 -0.211 1 1 263 . 15 1 1 A 25 25 GLY HA3 H 25 4.030 3.897 0.133 1 1 264 . 15 1 1 A 25 25 GLY CA C 25 45.900 45.788 0.112 1 1 265 . 15 1 1 A 25 25 GLY N N 25 104.600 107.268 -2.668 1 1 266 . 15 1 1 A 26 26 PHE H H 26 9.350 9.005 0.345 1 1 267 . 15 1 1 A 26 26 PHE HA H 26 5.130 5.333 -0.203 1 1 275 . 15 1 1 A 26 26 PHE CA C 26 56.900 56.810 0.090 1 1 276 . 15 1 1 A 26 26 PHE CB C 26 43.300 42.745 0.555 1 1 280 . 15 1 1 A 26 26 PHE N N 26 114.900 119.472 -4.572 1 1 281 . 15 1 1 A 27 27 LEU H H 27 8.320 9.708 -1.388 1 1 282 . 15 1 1 A 27 27 LEU HA H 27 4.590 5.200 -0.610 1 1 292 . 15 1 1 A 27 27 LEU CA C 27 52.900 53.947 -1.047 1 1 293 . 15 1 1 A 27 27 LEU CB C 27 41.200 42.672 -1.472 1 1 297 . 15 1 1 A 27 27 LEU N N 27 119.100 123.361 -4.261 1 1 298 . 15 1 1 A 28 28 LEU H H 28 9.050 9.120 -0.070 1 1 299 . 15 1 1 A 28 28 LEU HA H 28 5.390 5.469 -0.079 1 1 309 . 15 1 1 A 28 28 LEU CA C 28 51.900 53.264 -1.364 1 1 310 . 15 1 1 A 28 28 LEU CB C 28 42.900 43.961 -1.061 1 1 314 . 15 1 1 A 28 28 LEU N N 28 123.500 125.226 -1.726 1 1 315 . 15 1 1 A 29 29 GLY H H 29 9.950 8.355 1.595 1 1 316 . 15 1 1 A 29 29 GLY HA2 H 29 5.270 4.358 0.912 1 1 317 . 15 1 1 A 29 29 GLY HA3 H 29 3.900 4.359 -0.459 1 1 318 . 15 1 1 A 29 29 GLY CA C 29 46.700 46.225 0.475 1 1 319 . 15 1 1 A 29 29 GLY N N 29 112.400 110.071 2.329 1 1 320 . 15 1 1 A 30 30 THR H H 30 8.810 8.442 0.368 1 1 321 . 15 1 1 A 30 30 THR HA H 30 4.810 5.378 -0.568 1 1 326 . 15 1 1 A 30 30 THR CA C 30 59.900 59.644 0.256 1 1 327 . 15 1 1 A 30 30 THR CB C 30 72.200 72.203 -0.003 1 1 329 . 15 1 1 A 30 30 THR N N 30 116.000 117.269 -1.269 1 1 330 . 15 1 1 A 31 31 VAL H H 31 8.530 8.752 -0.222 1 1 331 . 15 1 1 A 31 31 VAL HA H 31 4.830 4.665 0.165 1 1 339 . 15 1 1 A 31 31 VAL CA C 31 61.900 61.847 0.053 1 1 340 . 15 1 1 A 31 31 VAL CB C 31 32.200 32.315 -0.115 1 1 343 . 15 1 1 A 31 31 VAL N N 31 124.200 123.516 0.684 1 1 344 . 15 1 1 A 32 32 THR H H 32 9.040 8.300 0.740 1 1 345 . 15 1 1 A 32 32 THR HA H 32 4.580 4.681 -0.101 1 1 350 . 15 1 1 A 32 32 THR CA C 32 61.200 60.614 0.586 1 1 351 . 15 1 1 A 32 32 THR CB C 32 70.700 71.518 -0.818 1 1 353 . 15 1 1 A 32 32 THR N N 32 118.900 120.457 -1.557 1 1 354 . 15 1 1 A 33 33 ASP H H 33 8.980 8.951 0.029 1 1 355 . 15 1 1 A 33 33 ASP HA H 33 4.400 4.319 0.081 1 1 358 . 15 1 1 A 33 33 ASP CA C 33 56.800 56.799 0.001 1 1 359 . 15 1 1 A 33 33 ASP CB C 33 40.100 40.768 -0.668 1 1 360 . 15 1 1 A 33 33 ASP N N 33 121.100 122.163 -1.063 1 1 361 . 15 1 1 A 34 34 ASP H H 34 7.960 7.956 0.004 1 1 362 . 15 1 1 A 34 34 ASP HA H 34 4.640 4.512 0.128 1 1 365 . 15 1 1 A 34 34 ASP CA C 34 53.500 54.525 -1.025 1 1 366 . 15 1 1 A 34 34 ASP CB C 34 40.400 41.034 -0.634 1 1 367 . 15 1 1 A 34 34 ASP N N 34 115.400 116.903 -1.503 1 1 368 . 15 1 1 A 35 35 GLY H H 35 8.080 8.019 0.061 1 1 369 . 15 1 1 A 35 35 GLY HA2 H 35 3.590 3.918 -0.328 1 1 370 . 15 1 1 A 35 35 GLY HA3 H 35 4.200 3.923 0.277 1 1 371 . 15 1 1 A 35 35 GLY CA C 35 45.400 45.507 -0.107 1 1 372 . 15 1 1 A 35 35 GLY N N 35 108.400 107.516 0.884 1 1 373 . 15 1 1 A 36 36 ASP H H 36 7.690 7.829 -0.139 1 1 374 . 15 1 1 A 36 36 ASP HA H 36 4.790 4.942 -0.152 1 1 377 . 15 1 1 A 36 36 ASP CA C 36 51.900 52.798 -0.898 1 1 378 . 15 1 1 A 36 36 ASP CB C 36 42.300 43.373 -1.073 1 1 379 . 15 1 1 A 36 36 ASP N N 36 120.100 120.723 -0.623 1 1 380 . 15 1 1 A 37 37 ASN H H 37 8.920 8.834 0.086 1 1 381 . 15 1 1 A 37 37 ASN HA H 37 5.180 5.156 0.024 1 1 386 . 15 1 1 A 37 37 ASN CA C 37 52.900 52.371 0.529 1 1 387 . 15 1 1 A 37 37 ASN CB C 37 38.800 39.332 -0.532 1 1 388 . 15 1 1 A 37 37 ASN N N 37 119.000 120.247 -1.247 1 1 390 . 15 1 1 A 38 38 ARG H H 38 9.480 8.832 0.648 1 1 391 . 15 1 1 A 38 38 ARG HA H 38 5.310 5.386 -0.076 1 1 398 . 15 1 1 A 38 38 ARG CA C 38 53.500 55.129 -1.629 1 1 399 . 15 1 1 A 38 38 ARG CB C 38 31.000 31.635 -0.635 1 1 402 . 15 1 1 A 38 38 ARG N N 38 126.900 126.064 0.836 1 1 403 . 15 1 1 A 39 39 VAL H H 39 8.810 8.656 0.154 1 1 404 . 15 1 1 A 39 39 VAL HA H 39 4.150 4.137 0.013 1 1 412 . 15 1 1 A 39 39 VAL CA C 39 62.800 63.115 -0.315 1 1 413 . 15 1 1 A 39 39 VAL CB C 39 33.100 31.819 1.281 1 1 416 . 15 1 1 A 39 39 VAL N N 39 125.700 127.794 -2.094 1 1 417 . 15 1 1 A 40 40 ALA H H 40 9.680 8.953 0.727 1 1 418 . 15 1 1 A 40 40 ALA HA H 40 4.690 4.629 0.061 1 1 422 . 15 1 1 A 40 40 ALA CA C 40 51.300 52.420 -1.120 1 1 423 . 15 1 1 A 40 40 ALA CB C 40 22.700 21.084 1.616 1 1 424 . 15 1 1 A 40 40 ALA N N 40 102.300 129.282 -26.982 1 1 425 . 15 1 1 A 41 41 ALA H H 41 8.370 8.106 0.264 1 1 426 . 15 1 1 A 41 41 ALA HA H 41 4.530 4.954 -0.424 1 1 430 . 15 1 1 A 41 41 ALA CA C 41 51.700 51.053 0.647 1 1 431 . 15 1 1 A 41 41 ALA CB C 41 22.200 23.547 -1.347 1 1 432 . 15 1 1 A 41 41 ALA N N 41 120.200 118.501 1.699 1 1 433 . 15 1 1 A 42 42 LEU H H 42 8.690 8.642 0.048 1 1 434 . 15 1 1 A 42 42 LEU HA H 42 5.320 5.169 0.151 1 1 444 . 15 1 1 A 42 42 LEU CA C 42 53.500 53.628 -0.128 1 1 445 . 15 1 1 A 42 42 LEU CB C 42 46.300 44.080 2.220 1 1 449 . 15 1 1 A 42 42 LEU N N 42 118.300 120.533 -2.233 1 1 450 . 15 1 1 A 43 43 HIS H H 43 8.820 8.986 -0.166 1 1 451 . 15 1 1 A 43 43 HIS HA H 43 4.870 5.394 -0.524 1 1 456 . 15 1 1 A 43 43 HIS CA C 43 56.300 53.602 2.698 1 1 457 . 15 1 1 A 43 43 HIS CB C 43 34.200 33.217 0.983 1 1 460 . 15 1 1 A 43 43 HIS N N 43 120.700 124.599 -3.899 1 1 461 . 15 1 1 A 44 44 ARG H H 44 8.580 8.285 0.295 1 1 462 . 15 1 1 A 44 44 ARG HA H 44 4.420 4.203 0.217 1 1 469 . 15 1 1 A 44 44 ARG CA C 44 57.400 56.227 1.173 1 1 470 . 15 1 1 A 44 44 ARG CB C 44 31.100 30.994 0.106 1 1 473 . 15 1 1 A 44 44 ARG N N 44 128.300 128.931 -0.631 1 1 474 . 15 1 1 A 45 45 ALA H H 45 8.580 8.738 -0.158 1 1 475 . 15 1 1 A 45 45 ALA HA H 45 4.720 4.461 0.259 1 1 479 . 15 1 1 A 45 45 ALA CA C 45 51.500 51.944 -0.444 1 1 480 . 15 1 1 A 45 45 ALA CB C 45 20.200 17.288 2.912 1 1 481 . 15 1 1 A 45 45 ALA N N 45 125.700 127.629 -1.929 1 1 482 . 15 1 1 A 46 46 THR H H 46 8.250 7.913 0.337 1 1 483 . 15 1 1 A 46 46 THR HA H 46 4.270 5.064 -0.794 1 1 488 . 15 1 1 A 46 46 THR CA C 46 62.000 61.063 0.937 1 1 489 . 15 1 1 A 46 46 THR CB C 46 69.900 72.664 -2.764 1 1 491 . 15 1 1 A 46 46 THR N N 46 115.500 114.003 1.497 1 1 492 . 15 1 1 A 47 47 ASN H H 47 8.590 8.997 -0.407 1 1 493 . 15 1 1 A 47 47 ASN HA H 47 4.620 4.746 -0.126 1 1 498 . 15 1 1 A 47 47 ASN CA C 47 53.400 53.622 -0.222 1 1 499 . 15 1 1 A 47 47 ASN CB C 47 38.400 38.778 -0.378 1 1 500 . 15 1 1 A 47 47 ASN N N 47 122.400 124.083 -1.683 1 1 502 . 15 1 1 A 50 50 SER H H 50 8.480 8.660 -0.180 1 1 503 . 15 1 1 A 50 50 SER HA H 50 4.400 4.830 -0.430 1 1 506 . 15 1 1 A 50 50 SER CA C 50 58.900 56.907 1.993 1 1 507 . 15 1 1 A 50 50 SER CB C 50 63.600 64.977 -1.377 1 1 508 . 15 1 1 A 50 50 SER N N 50 116.600 119.111 -2.511 1 1 509 . 15 1 1 A 51 51 GLU H H 51 8.510 8.432 0.078 1 1 510 . 15 1 1 A 51 51 GLU HA H 51 4.300 4.661 -0.361 1 1 515 . 15 1 1 A 51 51 GLU CA C 51 56.800 56.188 0.612 1 1 516 . 15 1 1 A 51 51 GLU CB C 51 29.900 31.123 -1.223 1 1 518 . 15 1 1 A 51 51 GLU N N 51 121.800 122.547 -0.747 1 1 519 . 15 1 1 A 52 52 GLN H H 52 8.300 8.423 -0.123 1 1 520 . 15 1 1 A 52 52 GLN HA H 52 4.310 4.224 0.086 1 1 527 . 15 1 1 A 52 52 GLN CA C 52 55.900 56.262 -0.362 1 1 528 . 15 1 1 A 52 52 GLN CB C 52 29.000 29.069 -0.069 1 1 530 . 15 1 1 A 52 52 GLN N N 52 119.500 122.123 -2.623 1 1 532 . 15 1 1 A 53 53 ARG H H 53 8.350 8.705 -0.355 1 1 533 . 15 1 1 A 53 53 ARG HA H 53 4.310 4.335 -0.025 1 1 540 . 15 1 1 A 53 53 ARG CA C 53 56.800 55.131 1.669 1 1 541 . 15 1 1 A 53 53 ARG CB C 53 30.700 28.722 1.978 1 1 544 . 15 1 1 A 53 53 ARG N N 53 121.000 124.694 -3.694 1 1 545 . 15 1 1 A 54 54 THR H H 54 8.140 8.816 -0.676 1 1 546 . 15 1 1 A 54 54 THR HA H 54 4.340 4.005 0.335 1 1 551 . 15 1 1 A 54 54 THR CA C 54 61.900 62.642 -0.742 1 1 552 . 15 1 1 A 54 54 THR CB C 54 69.600 67.498 2.102 1 1 554 . 15 1 1 A 54 54 THR N N 54 113.100 111.437 1.663 1 1 555 . 15 1 1 A 64 64 TYR H H 64 8.220 8.839 -0.619 1 1 556 . 15 1 1 A 64 64 TYR HA H 64 3.360 3.933 -0.573 1 1 563 . 15 1 1 A 64 64 TYR CA C 64 61.600 62.200 -0.600 1 1 564 . 15 1 1 A 64 64 TYR CB C 64 37.700 38.837 -1.137 1 1 567 . 15 1 1 A 64 64 TYR N N 64 120.700 119.704 0.996 1 1 568 . 15 1 1 A 65 65 ARG H H 65 8.340 8.088 0.252 1 1 569 . 15 1 1 A 65 65 ARG HA H 65 3.930 3.760 0.170 1 1 576 . 15 1 1 A 65 65 ARG CA C 65 59.600 59.520 0.080 1 1 577 . 15 1 1 A 65 65 ARG CB C 65 30.100 30.152 -0.052 1 1 580 . 15 1 1 A 65 65 ARG N N 65 119.200 118.319 0.881 1 1 581 . 15 1 1 A 66 66 ALA H H 66 7.790 7.852 -0.062 1 1 582 . 15 1 1 A 66 66 ALA HA H 66 4.090 4.090 0.000 1 1 586 . 15 1 1 A 66 66 ALA CA C 66 54.700 54.867 -0.167 1 1 587 . 15 1 1 A 66 66 ALA CB C 66 18.100 18.052 0.048 1 1 588 . 15 1 1 A 66 66 ALA N N 66 121.900 121.864 0.036 1 1 589 . 15 1 1 A 67 67 ALA H H 67 7.550 7.211 0.339 1 1 590 . 15 1 1 A 67 67 ALA HA H 67 2.940 3.510 -0.570 1 1 594 . 15 1 1 A 67 67 ALA CA C 67 54.300 54.773 -0.473 1 1 595 . 15 1 1 A 67 67 ALA CB C 67 18.000 17.912 0.088 1 1 596 . 15 1 1 A 67 67 ALA N N 67 123.000 120.698 2.302 1 1 597 . 15 1 1 A 68 68 ASP H H 68 8.320 8.417 -0.097 1 1 598 . 15 1 1 A 68 68 ASP HA H 68 4.100 4.042 0.058 1 1 601 . 15 1 1 A 68 68 ASP CA C 68 56.800 56.565 0.235 1 1 602 . 15 1 1 A 68 68 ASP CB C 68 41.400 40.431 0.969 1 1 603 . 15 1 1 A 68 68 ASP N N 68 118.100 118.377 -0.277 1 1 604 . 15 1 1 A 69 69 ALA H H 69 7.790 8.261 -0.471 1 1 605 . 15 1 1 A 69 69 ALA HA H 69 4.010 3.890 0.120 1 1 609 . 15 1 1 A 69 69 ALA CA C 69 55.000 55.006 -0.006 1 1 610 . 15 1 1 A 69 69 ALA CB C 69 17.600 18.085 -0.485 1 1 611 . 15 1 1 A 69 69 ALA N N 69 121.200 120.620 0.580 1 1 612 . 15 1 1 A 70 70 ALA H H 70 7.490 7.660 -0.170 1 1 613 . 15 1 1 A 70 70 ALA HA H 70 4.070 4.200 -0.130 1 1 617 . 15 1 1 A 70 70 ALA CA C 70 54.500 54.889 -0.389 1 1 618 . 15 1 1 A 70 70 ALA CB C 70 17.900 18.216 -0.316 1 1 619 . 15 1 1 A 70 70 ALA N N 70 121.200 119.986 1.214 1 1 620 . 15 1 1 A 71 71 ALA H H 71 8.620 7.892 0.728 1 1 621 . 15 1 1 A 71 71 ALA HA H 71 3.660 3.986 -0.326 1 1 625 . 15 1 1 A 71 71 ALA CA C 71 55.300 55.296 0.004 1 1 626 . 15 1 1 A 71 71 ALA CB C 71 17.800 18.108 -0.308 1 1 627 . 15 1 1 A 71 71 ALA N N 71 121.600 120.454 1.146 1 1 628 . 15 1 1 A 72 72 GLN H H 72 8.700 8.323 0.377 1 1 629 . 15 1 1 A 72 72 GLN HA H 72 4.080 4.133 -0.053 1 1 636 . 15 1 1 A 72 72 GLN CA C 72 59.000 58.565 0.435 1 1 637 . 15 1 1 A 72 72 GLN CB C 72 28.000 28.429 -0.429 1 1 639 . 15 1 1 A 72 72 GLN N N 72 118.600 117.239 1.361 1 1 641 . 15 1 1 A 73 73 GLU H H 73 7.640 8.610 -0.970 1 1 642 . 15 1 1 A 73 73 GLU HA H 73 4.080 3.756 0.324 1 1 647 . 15 1 1 A 73 73 GLU CA C 73 58.800 59.030 -0.230 1 1 648 . 15 1 1 A 73 73 GLU CB C 73 29.600 29.223 0.377 1 1 650 . 15 1 1 A 73 73 GLU N N 73 119.000 121.019 -2.019 1 1 651 . 15 1 1 A 74 74 GLN H H 74 7.400 7.727 -0.327 1 1 652 . 15 1 1 A 74 74 GLN HA H 74 4.470 4.378 0.092 1 1 659 . 15 1 1 A 74 74 GLN CA C 74 55.000 55.898 -0.898 1 1 660 . 15 1 1 A 74 74 GLN CB C 74 30.900 29.254 1.646 1 1 662 . 15 1 1 A 74 74 GLN N N 74 114.600 116.741 -2.141 1 1 664 . 15 1 1 A 75 75 GLY H H 75 7.830 8.583 -0.753 1 1 665 . 15 1 1 A 75 75 GLY HA2 H 75 3.950 4.051 -0.101 1 1 666 . 15 1 1 A 75 75 GLY HA3 H 75 3.870 4.077 -0.207 1 1 667 . 15 1 1 A 75 75 GLY CA C 75 46.500 45.588 0.912 1 1 668 . 15 1 1 A 75 75 GLY N N 75 109.300 108.123 1.177 1 1 669 . 15 1 1 A 76 76 LEU H H 76 8.110 8.351 -0.241 1 1 670 . 15 1 1 A 76 76 LEU HA H 76 4.650 4.992 -0.342 1 1 680 . 15 1 1 A 76 76 LEU CA C 76 52.500 53.142 -0.642 1 1 681 . 15 1 1 A 76 76 LEU CB C 76 45.700 45.497 0.203 1 1 685 . 15 1 1 A 76 76 LEU N N 76 119.300 120.490 -1.190 1 1 686 . 15 1 1 A 77 77 ASP H H 77 8.990 9.292 -0.302 1 1 687 . 15 1 1 A 77 77 ASP HA H 77 5.120 5.255 -0.135 1 1 690 . 15 1 1 A 77 77 ASP CA C 77 52.600 52.262 0.338 1 1 691 . 15 1 1 A 77 77 ASP CB C 77 44.600 44.004 0.596 1 1 692 . 15 1 1 A 77 77 ASP N N 77 117.600 118.220 -0.620 1 1 693 . 15 1 1 A 78 78 VAL H H 78 9.070 9.066 0.004 1 1 694 . 15 1 1 A 78 78 VAL HA H 78 4.090 4.380 -0.290 1 1 702 . 15 1 1 A 78 78 VAL CA C 78 63.900 62.990 0.910 1 1 703 . 15 1 1 A 78 78 VAL CB C 78 30.900 31.229 -0.329 1 1 706 . 15 1 1 A 78 78 VAL N N 78 121.900 120.899 1.001 1 1 707 . 15 1 1 A 79 79 VAL H H 79 8.360 9.100 -0.740 1 1 708 . 15 1 1 A 79 79 VAL HA H 79 4.300 4.489 -0.189 1 1 716 . 15 1 1 A 79 79 VAL CA C 79 59.500 61.787 -2.287 1 1 717 . 15 1 1 A 79 79 VAL CB C 79 32.600 32.474 0.126 1 1 720 . 15 1 1 A 79 79 VAL N N 79 116.700 122.102 -5.402 1 1 721 . 15 1 1 A 80 80 GLY H H 80 6.970 7.834 -0.864 1 1 722 . 15 1 1 A 80 80 GLY HA2 H 80 4.380 4.273 0.107 1 1 723 . 15 1 1 A 80 80 GLY HA3 H 80 3.550 4.458 -0.908 1 1 724 . 15 1 1 A 80 80 GLY CA C 80 46.900 46.140 0.760 1 1 725 . 15 1 1 A 80 80 GLY N N 80 106.200 109.139 -2.939 1 1 726 . 15 1 1 A 81 81 VAL H H 81 8.510 8.858 -0.348 1 1 727 . 15 1 1 A 81 81 VAL HA H 81 4.900 5.061 -0.161 1 1 735 . 15 1 1 A 81 81 VAL CA C 81 59.400 60.607 -1.207 1 1 736 . 15 1 1 A 81 81 VAL CB C 81 37.600 36.165 1.435 1 1 739 . 15 1 1 A 81 81 VAL N N 81 116.200 119.182 -2.982 1 1 740 . 15 1 1 A 82 82 TYR H H 82 8.370 9.131 -0.761 1 1 741 . 15 1 1 A 82 82 TYR HA H 82 6.000 6.030 -0.030 1 1 748 . 15 1 1 A 82 82 TYR CA C 82 54.900 55.536 -0.636 1 1 749 . 15 1 1 A 82 82 TYR CB C 82 42.800 42.465 0.335 1 1 752 . 15 1 1 A 82 82 TYR N N 82 118.100 121.515 -3.415 1 1 753 . 15 1 1 A 83 83 HIS H H 83 8.520 8.932 -0.412 1 1 754 . 15 1 1 A 83 83 HIS HA H 83 5.150 5.308 -0.158 1 1 759 . 15 1 1 A 83 83 HIS CA C 83 54.900 54.372 0.528 1 1 760 . 15 1 1 A 83 83 HIS CB C 83 33.200 32.746 0.454 1 1 763 . 15 1 1 A 83 83 HIS N N 83 115.400 117.434 -2.034 1 1 764 . 15 1 1 A 84 84 SER H H 84 9.060 8.808 0.252 1 1 765 . 15 1 1 A 84 84 SER HA H 84 5.590 5.151 0.439 1 1 768 . 15 1 1 A 84 84 SER CA C 84 55.800 57.791 -1.991 1 1 769 . 15 1 1 A 84 84 SER CB C 84 65.500 65.195 0.305 1 1 770 . 15 1 1 A 84 84 SER N N 84 117.100 117.363 -0.263 1 1 771 . 15 1 1 A 85 85 HIS H H 85 8.980 8.705 0.275 1 1 772 . 15 1 1 A 85 85 HIS HA H 85 4.830 5.202 -0.372 1 1 777 . 15 1 1 A 85 85 HIS CA C 85 50.400 54.059 -3.659 1 1 778 . 15 1 1 A 85 85 HIS CB C 85 32.000 30.925 1.075 1 1 781 . 15 1 1 A 85 85 HIS N N 85 117.600 119.576 -1.976 1 1 782 . 15 1 1 A 86 86 PRO HA H 86 5.080 4.902 0.178 1 1 789 . 15 1 1 A 86 86 PRO CA C 86 62.400 62.454 -0.054 1 1 790 . 15 1 1 A 86 86 PRO CB C 86 32.400 31.961 0.439 1 1 793 . 15 1 1 A 87 87 ASP H H 87 10.300 8.859 1.441 1 1 794 . 15 1 1 A 87 87 ASP HA H 87 4.320 4.802 -0.482 1 1 797 . 15 1 1 A 87 87 ASP CA C 87 56.600 55.562 1.038 1 1 798 . 15 1 1 A 87 87 ASP CB C 87 39.600 43.142 -3.542 1 1 799 . 15 1 1 A 87 87 ASP N N 87 123.100 122.029 1.071 1 1 800 . 15 1 1 A 88 88 HIS H H 88 7.500 8.070 -0.570 1 1 801 . 15 1 1 A 88 88 HIS HA H 88 5.050 5.065 -0.015 1 1 806 . 15 1 1 A 88 88 HIS CA C 88 54.700 53.679 1.021 1 1 807 . 15 1 1 A 88 88 HIS CB C 88 32.400 32.701 -0.301 1 1 810 . 15 1 1 A 88 88 HIS N N 88 115.000 114.229 0.771 1 1 811 . 15 1 1 A 89 89 PRO HA H 89 4.370 4.489 -0.119 1 1 818 . 15 1 1 A 89 89 PRO CA C 89 62.700 62.731 -0.031 1 1 819 . 15 1 1 A 89 89 PRO CB C 89 31.600 30.055 1.545 1 1 822 . 15 1 1 A 90 90 ALA H H 90 8.020 8.609 -0.589 1 1 823 . 15 1 1 A 90 90 ALA HA H 90 4.290 3.933 0.357 1 1 827 . 15 1 1 A 90 90 ALA CA C 90 50.800 53.708 -2.908 1 1 828 . 15 1 1 A 90 90 ALA CB C 90 16.600 18.030 -1.430 1 1 829 . 15 1 1 A 90 90 ALA N N 90 125.800 120.375 5.425 1 1 830 . 15 1 1 A 91 91 ARG H H 91 7.990 7.713 0.277 1 1 831 . 15 1 1 A 91 91 ARG HA H 91 4.300 4.895 -0.595 1 1 838 . 15 1 1 A 91 91 ARG CA C 91 53.100 53.468 -0.368 1 1 839 . 15 1 1 A 91 91 ARG CB C 91 31.800 32.435 -0.635 1 1 842 . 15 1 1 A 91 91 ARG N N 91 121.900 113.198 8.702 1 1 843 . 15 1 1 A 92 92 PRO HA H 92 4.070 4.338 -0.268 1 1 850 . 15 1 1 A 92 92 PRO CA C 92 62.300 62.581 -0.281 1 1 851 . 15 1 1 A 92 92 PRO CB C 92 32.500 31.720 0.780 1 1 854 . 15 1 1 A 93 93 SER H H 93 9.960 8.898 1.062 1 1 855 . 15 1 1 A 93 93 SER HA H 93 4.630 4.472 0.158 1 1 858 . 15 1 1 A 93 93 SER CA C 93 56.300 56.062 0.238 1 1 859 . 15 1 1 A 93 93 SER CB C 93 66.500 65.361 1.139 1 1 860 . 15 1 1 A 93 93 SER N N 93 121.800 117.215 4.585 1 1 861 . 15 1 1 A 94 94 ALA H H 94 8.880 8.901 -0.021 1 1 862 . 15 1 1 A 94 94 ALA HA H 94 4.130 3.966 0.164 1 1 866 . 15 1 1 A 94 94 ALA CA C 94 55.400 55.567 -0.167 1 1 867 . 15 1 1 A 94 94 ALA CB C 94 18.000 18.070 -0.070 1 1 868 . 15 1 1 A 94 94 ALA N N 94 123.100 126.952 -3.852 1 1 869 . 15 1 1 A 95 95 THR H H 95 7.870 7.893 -0.023 1 1 870 . 15 1 1 A 95 95 THR HA H 95 3.920 3.892 0.028 1 1 875 . 15 1 1 A 95 95 THR CA C 95 65.700 67.063 -1.363 1 1 876 . 15 1 1 A 95 95 THR CB C 95 68.400 68.294 0.106 1 1 878 . 15 1 1 A 95 95 THR N N 95 114.300 115.142 -0.842 1 1 879 . 15 1 1 A 96 96 ASP H H 96 7.420 8.011 -0.591 1 1 880 . 15 1 1 A 96 96 ASP HA H 96 4.230 4.339 -0.109 1 1 883 . 15 1 1 A 96 96 ASP CA C 96 57.400 57.227 0.173 1 1 884 . 15 1 1 A 96 96 ASP CB C 96 40.100 40.705 -0.605 1 1 885 . 15 1 1 A 96 96 ASP N N 96 121.000 121.440 -0.440 1 1 886 . 15 1 1 A 97 97 LEU H H 97 7.490 7.820 -0.330 1 1 887 . 15 1 1 A 97 97 LEU HA H 97 4.000 4.249 -0.249 1 1 897 . 15 1 1 A 97 97 LEU CA C 97 57.600 57.971 -0.371 1 1 898 . 15 1 1 A 97 97 LEU CB C 97 41.400 41.520 -0.120 1 1 902 . 15 1 1 A 97 97 LEU N N 97 118.900 120.361 -1.461 1 1 903 . 15 1 1 A 98 98 GLU H H 98 7.690 8.374 -0.684 1 1 904 . 15 1 1 A 98 98 GLU HA H 98 3.900 4.051 -0.151 1 1 909 . 15 1 1 A 98 98 GLU CA C 98 58.700 59.724 -1.024 1 1 910 . 15 1 1 A 98 98 GLU CB C 98 29.600 29.777 -0.177 1 1 912 . 15 1 1 A 98 98 GLU N N 98 119.100 118.641 0.459 1 1 913 . 15 1 1 A 99 99 GLU H H 99 7.500 7.555 -0.055 1 1 914 . 15 1 1 A 99 99 GLU HA H 99 4.200 4.556 -0.356 1 1 919 . 15 1 1 A 99 99 GLU CA C 99 56.100 55.921 0.179 1 1 920 . 15 1 1 A 99 99 GLU CB C 99 30.000 29.948 0.052 1 1 922 . 15 1 1 A 99 99 GLU N N 99 114.300 116.451 -2.151 1 1 923 . 15 1 1 A 100 100 ALA H H 100 7.400 7.093 0.307 1 1 924 . 15 1 1 A 100 100 ALA HA H 100 4.620 4.489 0.131 1 1 928 . 15 1 1 A 100 100 ALA CA C 100 52.000 50.433 1.567 1 1 929 . 15 1 1 A 100 100 ALA CB C 100 18.100 19.360 -1.260 1 1 930 . 15 1 1 A 100 100 ALA N N 100 125.900 124.188 1.712 1 1 931 . 15 1 1 A 101 101 THR H H 101 7.790 8.951 -1.161 1 1 932 . 15 1 1 A 101 101 THR HA H 101 4.050 4.736 -0.686 1 1 937 . 15 1 1 A 101 101 THR CA C 101 61.200 61.467 -0.267 1 1 938 . 15 1 1 A 101 101 THR CB C 101 68.900 69.831 -0.931 1 1 940 . 15 1 1 A 101 101 THR N N 101 111.700 119.681 -7.981 1 1 941 . 15 1 1 A 102 102 PHE H H 102 7.320 7.140 0.180 1 1 942 . 15 1 1 A 102 102 PHE HA H 102 4.750 5.071 -0.321 1 1 950 . 15 1 1 A 102 102 PHE CA C 102 54.300 54.614 -0.314 1 1 951 . 15 1 1 A 102 102 PHE CB C 102 38.200 39.273 -1.073 1 1 955 . 15 1 1 A 102 102 PHE N N 102 120.200 118.233 1.967 1 1 956 . 15 1 1 A 103 103 PRO HA H 103 4.480 4.468 0.012 1 1 963 . 15 1 1 A 103 103 PRO CA C 103 64.100 63.723 0.377 1 1 964 . 15 1 1 A 103 103 PRO CB C 103 32.000 32.428 -0.428 1 1 967 . 15 1 1 A 104 104 GLY H H 104 8.920 8.892 0.028 1 1 968 . 15 1 1 A 104 104 GLY HA2 H 104 4.270 3.809 0.461 1 1 969 . 15 1 1 A 104 104 GLY HA3 H 104 4.160 3.835 0.325 1 1 970 . 15 1 1 A 104 104 GLY CA C 104 45.600 45.132 0.468 1 1 971 . 15 1 1 A 104 104 GLY N N 104 109.600 111.075 -1.475 1 1 972 . 15 1 1 A 105 105 PHE H H 105 7.250 8.089 -0.839 1 1 973 . 15 1 1 A 105 105 PHE HA H 105 4.930 4.556 0.374 1 1 981 . 15 1 1 A 105 105 PHE CA C 105 54.900 57.757 -2.857 1 1 982 . 15 1 1 A 105 105 PHE CB C 105 39.400 40.807 -1.407 1 1 986 . 15 1 1 A 105 105 PHE N N 105 120.100 119.970 0.130 1 1 987 . 15 1 1 A 106 106 THR H H 106 8.110 8.389 -0.279 1 1 988 . 15 1 1 A 106 106 THR HA H 106 4.840 4.588 0.252 1 1 993 . 15 1 1 A 106 106 THR CA C 106 64.400 62.247 2.153 1 1 994 . 15 1 1 A 106 106 THR CB C 106 70.500 69.629 0.871 1 1 996 . 15 1 1 A 106 106 THR N N 106 118.600 117.992 0.608 1 1 997 . 15 1 1 A 107 107 TYR H H 107 9.660 9.283 0.377 1 1 998 . 15 1 1 A 107 107 TYR HA H 107 5.150 5.386 -0.236 1 1 1005 . 15 1 1 A 107 107 TYR CA C 107 56.900 57.221 -0.321 1 1 1006 . 15 1 1 A 107 107 TYR CB C 107 38.900 39.342 -0.442 1 1 1009 . 15 1 1 A 107 107 TYR N N 107 126.600 127.317 -0.717 1 1 1010 . 15 1 1 A 108 108 VAL H H 108 9.270 9.639 -0.369 1 1 1011 . 15 1 1 A 108 108 VAL HA H 108 5.220 4.664 0.556 1 1 1019 . 15 1 1 A 108 108 VAL CA C 108 60.800 62.355 -1.555 1 1 1020 . 15 1 1 A 108 108 VAL CB C 108 33.500 32.242 1.258 1 1 1023 . 15 1 1 A 108 108 VAL N N 108 124.400 124.701 -0.301 1 1 1024 . 15 1 1 A 109 109 ILE H H 109 9.300 9.586 -0.286 1 1 1025 . 15 1 1 A 109 109 ILE HA H 109 5.150 4.585 0.565 1 1 1035 . 15 1 1 A 109 109 ILE CA C 109 58.000 59.708 -1.708 1 1 1036 . 15 1 1 A 109 109 ILE CB C 109 39.600 39.181 0.419 1 1 1040 . 15 1 1 A 109 109 ILE N N 109 128.500 129.363 -0.863 1 1 1041 . 15 1 1 A 110 110 VAL H H 110 7.910 8.510 -0.600 1 1 1042 . 15 1 1 A 110 110 VAL HA H 110 5.650 5.105 0.545 1 1 1050 . 15 1 1 A 110 110 VAL CA C 110 56.800 59.673 -2.873 1 1 1051 . 15 1 1 A 110 110 VAL CB C 110 35.400 34.139 1.261 1 1 1054 . 15 1 1 A 110 110 VAL N N 110 122.600 129.439 -6.839 1 1 1055 . 15 1 1 A 111 111 SER H H 111 9.390 8.865 0.525 1 1 1056 . 15 1 1 A 111 111 SER HA H 111 4.850 4.777 0.073 1 1 1059 . 15 1 1 A 111 111 SER CA C 111 57.700 57.077 0.623 1 1 1060 . 15 1 1 A 111 111 SER CB C 111 64.500 63.484 1.016 1 1 1061 . 15 1 1 A 111 111 SER N N 111 124.700 124.443 0.257 1 1 1062 . 15 1 1 A 112 112 VAL H H 112 7.850 9.195 -1.345 1 1 1063 . 15 1 1 A 112 112 VAL HA H 112 4.530 4.701 -0.171 1 1 1071 . 15 1 1 A 112 112 VAL CA C 112 61.000 61.351 -0.351 1 1 1072 . 15 1 1 A 112 112 VAL CB C 112 33.800 33.178 0.622 1 1 1075 . 15 1 1 A 112 112 VAL N N 112 126.100 128.006 -1.906 1 1 1076 . 15 1 1 A 113 113 ARG H H 113 8.620 9.219 -0.599 1 1 1077 . 15 1 1 A 113 113 ARG HA H 113 5.020 4.552 0.468 1 1 1084 . 15 1 1 A 113 113 ARG CA C 113 54.100 54.364 -0.264 1 1 1085 . 15 1 1 A 113 113 ARG CB C 113 31.500 30.398 1.102 1 1 1088 . 15 1 1 A 113 113 ARG N N 113 128.800 126.597 2.203 1 1 1089 . 15 1 1 A 114 114 ASP H H 114 9.650 8.427 1.223 1 1 1090 . 15 1 1 A 114 114 ASP HA H 114 4.370 3.270 1.100 1 1 1093 . 15 1 1 A 114 114 ASP CA C 114 55.100 55.711 -0.611 1 1 1094 . 15 1 1 A 114 114 ASP CB C 114 39.800 40.324 -0.524 1 1 1095 . 15 1 1 A 114 114 ASP N N 114 128.100 123.832 4.268 1 1 1096 . 15 1 1 A 115 115 GLY H H 115 8.350 8.534 -0.184 1 1 1097 . 15 1 1 A 115 115 GLY HA2 H 115 3.980 3.935 0.045 1 1 1098 . 15 1 1 A 115 115 GLY HA3 H 115 2.460 3.965 -1.505 1 1 1099 . 15 1 1 A 115 115 GLY CA C 115 45.500 45.259 0.241 1 1 1100 . 15 1 1 A 115 115 GLY N N 115 109.900 106.250 3.650 1 1 1101 . 15 1 1 A 116 116 ALA H H 116 7.610 7.812 -0.202 1 1 1102 . 15 1 1 A 116 116 ALA HA H 116 4.920 4.540 0.380 1 1 1106 . 15 1 1 A 116 116 ALA CA C 116 48.200 48.867 -0.667 1 1 1107 . 15 1 1 A 116 116 ALA CB C 116 19.600 20.415 -0.815 1 1 1108 . 15 1 1 A 116 116 ALA N N 116 123.900 122.911 0.989 1 1 1109 . 15 1 1 A 117 117 PRO HA H 117 4.670 4.675 -0.005 1 1 1116 . 15 1 1 A 117 117 PRO CA C 117 62.900 62.508 0.392 1 1 1117 . 15 1 1 A 117 117 PRO CB C 117 31.500 31.376 0.124 1 1 1120 . 15 1 1 A 118 118 GLU H H 118 8.900 9.548 -0.648 1 1 1121 . 15 1 1 A 118 118 GLU HA H 118 4.540 4.228 0.312 1 1 1126 . 15 1 1 A 118 118 GLU CA C 118 56.200 59.185 -2.985 1 1 1127 . 15 1 1 A 118 118 GLU CB C 118 30.500 30.223 0.277 1 1 1129 . 15 1 1 A 118 118 GLU N N 118 127.400 124.169 3.231 1 1 1130 . 15 1 1 A 119 119 ALA H H 119 8.060 7.740 0.320 1 1 1131 . 15 1 1 A 119 119 ALA HA H 119 4.460 4.701 -0.241 1 1 1135 . 15 1 1 A 119 119 ALA CA C 119 52.600 50.985 1.615 1 1 1136 . 15 1 1 A 119 119 ALA CB C 119 21.000 23.032 -2.032 1 1 1137 . 15 1 1 A 119 119 ALA N N 119 123.500 119.662 3.838 1 1 1138 . 15 1 1 A 120 120 LEU H H 120 8.170 8.613 -0.443 1 1 1139 . 15 1 1 A 120 120 LEU HA H 120 5.400 5.039 0.361 1 1 1149 . 15 1 1 A 120 120 LEU CA C 120 55.000 53.727 1.273 1 1 1150 . 15 1 1 A 120 120 LEU CB C 120 45.300 42.881 2.419 1 1 1154 . 15 1 1 A 120 120 LEU N N 120 123.500 121.043 2.457 1 1 1155 . 15 1 1 A 121 121 THR H H 121 9.450 8.953 0.497 1 1 1156 . 15 1 1 A 121 121 THR HA H 121 4.520 5.092 -0.572 1 1 1161 . 15 1 1 A 121 121 THR CA C 121 58.700 60.055 -1.355 1 1 1162 . 15 1 1 A 121 121 THR CB C 121 72.100 71.400 0.700 1 1 1164 . 15 1 1 A 121 121 THR N N 121 117.400 115.693 1.707 1 1 1165 . 15 1 1 A 122 122 ALA H H 122 8.620 8.684 -0.064 1 1 1166 . 15 1 1 A 122 122 ALA HA H 122 5.370 5.574 -0.204 1 1 1170 . 15 1 1 A 122 122 ALA CA C 122 50.400 49.768 0.632 1 1 1171 . 15 1 1 A 122 122 ALA CB C 122 21.900 22.203 -0.303 1 1 1172 . 15 1 1 A 122 122 ALA N N 122 123.400 125.127 -1.727 1 1 1173 . 15 1 1 A 123 123 TRP H H 123 8.740 9.692 -0.952 1 1 1174 . 15 1 1 A 123 123 TRP HA H 123 5.090 5.653 -0.563 1 1 1183 . 15 1 1 A 123 123 TRP CA C 123 56.700 56.375 0.325 1 1 1184 . 15 1 1 A 123 123 TRP CB C 123 33.300 33.449 -0.149 1 1 1190 . 15 1 1 A 123 123 TRP N N 123 118.700 121.327 -2.627 1 1 1192 . 15 1 1 A 124 124 ALA H H 124 9.570 9.611 -0.041 1 1 1193 . 15 1 1 A 124 124 ALA HA H 124 5.360 5.355 0.005 1 1 1197 . 15 1 1 A 124 124 ALA CA C 124 50.300 50.390 -0.090 1 1 1198 . 15 1 1 A 124 124 ALA CB C 124 22.600 21.284 1.316 1 1 1199 . 15 1 1 A 124 124 ALA N N 124 123.200 125.910 -2.710 1 1 1200 . 15 1 1 A 125 125 LEU H H 125 9.830 9.058 0.772 1 1 1201 . 15 1 1 A 125 125 LEU HA H 125 4.190 4.847 -0.657 1 1 1211 . 15 1 1 A 125 125 LEU CA C 125 54.700 54.730 -0.030 1 1 1212 . 15 1 1 A 125 125 LEU CB C 125 44.000 43.129 0.871 1 1 1216 . 15 1 1 A 125 125 LEU N N 125 125.000 126.150 -1.150 1 1 1217 . 15 1 1 A 126 126 ALA H H 126 8.310 8.424 -0.114 1 1 1218 . 15 1 1 A 126 126 ALA HA H 126 4.460 4.479 -0.019 1 1 1222 . 15 1 1 A 126 126 ALA CA C 126 51.100 50.827 0.273 1 1 1223 . 15 1 1 A 126 126 ALA CB C 126 18.300 18.545 -0.245 1 1 1224 . 15 1 1 A 126 126 ALA N N 126 127.000 129.443 -2.443 1 1 1225 . 15 1 1 A 127 127 PRO HA H 127 4.340 4.313 0.027 1 1 1232 . 15 1 1 A 127 127 PRO CA C 127 65.400 64.990 0.410 1 1 1233 . 15 1 1 A 127 127 PRO CB C 127 31.800 31.946 -0.146 1 1 1236 . 15 1 1 A 128 128 ASP H H 128 7.680 8.009 -0.329 1 1 1237 . 15 1 1 A 128 128 ASP HA H 128 4.550 4.475 0.075 1 1 1240 . 15 1 1 A 128 128 ASP CA C 128 52.900 56.785 -3.885 1 1 1241 . 15 1 1 A 128 128 ASP CB C 128 39.600 40.861 -1.261 1 1 1242 . 15 1 1 A 128 128 ASP N N 128 113.100 116.655 -3.555 1 1 1243 . 15 1 1 A 129 129 ARG H H 129 8.500 8.346 0.154 1 1 1244 . 15 1 1 A 129 129 ARG HA H 129 3.500 3.913 -0.413 1 1 1251 . 15 1 1 A 129 129 ARG CA C 129 57.600 56.881 0.719 1 1 1252 . 15 1 1 A 129 129 ARG CB C 129 26.900 26.951 -0.051 1 1 1255 . 15 1 1 A 129 129 ARG N N 129 113.100 115.964 -2.864 1 1 1256 . 15 1 1 A 130 130 SER H H 130 8.050 7.959 0.091 1 1 1257 . 15 1 1 A 130 130 SER HA H 130 4.020 4.458 -0.438 1 1 1260 . 15 1 1 A 130 130 SER CA C 130 60.100 59.533 0.567 1 1 1261 . 15 1 1 A 130 130 SER CB C 130 63.600 64.807 -1.207 1 1 1262 . 15 1 1 A 130 130 SER N N 130 111.100 113.288 -2.188 1 1 1263 . 15 1 1 A 131 131 GLU H H 131 7.060 7.582 -0.522 1 1 1264 . 15 1 1 A 131 131 GLU HA H 131 4.420 4.366 0.054 1 1 1269 . 15 1 1 A 131 131 GLU CA C 131 54.400 55.078 -0.678 1 1 1270 . 15 1 1 A 131 131 GLU CB C 131 31.800 31.351 0.449 1 1 1272 . 15 1 1 A 131 131 GLU N N 131 114.400 116.505 -2.105 1 1 1273 . 15 1 1 A 132 132 PHE H H 132 8.740 8.571 0.169 1 1 1274 . 15 1 1 A 132 132 PHE HA H 132 5.390 5.577 -0.187 1 1 1282 . 15 1 1 A 132 132 PHE CA C 132 57.200 56.670 0.530 1 1 1283 . 15 1 1 A 132 132 PHE CB C 132 42.900 41.942 0.958 1 1 1287 . 15 1 1 A 132 132 PHE N N 132 117.300 117.560 -0.260 1 1 1288 . 15 1 1 A 133 133 HIS H H 133 9.870 9.609 0.261 1 1 1289 . 15 1 1 A 133 133 HIS HA H 133 5.380 5.190 0.190 1 1 1294 . 15 1 1 A 133 133 HIS CA C 133 53.300 54.602 -1.302 1 1 1295 . 15 1 1 A 133 133 HIS CB C 133 32.700 33.401 -0.701 1 1 1298 . 15 1 1 A 133 133 HIS N N 133 117.900 118.812 -0.912 1 1 1299 . 15 1 1 A 134 134 ARG H H 134 9.080 8.807 0.273 1 1 1300 . 15 1 1 A 134 134 ARG HA H 134 3.500 4.161 -0.661 1 1 1307 . 15 1 1 A 134 134 ARG CA C 134 57.100 55.645 1.455 1 1 1308 . 15 1 1 A 134 134 ARG CB C 134 30.100 30.997 -0.897 1 1 1311 . 15 1 1 A 134 134 ARG N N 134 125.600 124.173 1.427 1 1 1312 . 15 1 1 A 135 135 GLU H H 135 8.410 8.897 -0.487 1 1 1313 . 15 1 1 A 135 135 GLU HA H 135 4.550 4.957 -0.407 1 1 1318 . 15 1 1 A 135 135 GLU CA C 135 54.000 54.692 -0.692 1 1 1319 . 15 1 1 A 135 135 GLU CB C 135 33.000 33.145 -0.145 1 1 1321 . 15 1 1 A 135 135 GLU N N 135 128.500 127.472 1.028 1 1 1322 . 15 1 1 A 136 136 ASP H H 136 8.480 8.615 -0.135 1 1 1323 . 15 1 1 A 136 136 ASP HA H 136 4.460 4.858 -0.398 1 1 1326 . 15 1 1 A 136 136 ASP CA C 136 54.700 54.259 0.441 1 1 1327 . 15 1 1 A 136 136 ASP CB C 136 41.500 42.053 -0.553 1 1 1328 . 15 1 1 A 136 136 ASP N N 136 124.300 124.534 -0.234 1 1 1329 . 15 1 1 A 137 137 ILE H H 137 8.340 8.493 -0.153 1 1 1330 . 15 1 1 A 137 137 ILE HA H 137 4.570 4.325 0.245 1 1 1340 . 15 1 1 A 137 137 ILE CA C 137 61.400 60.587 0.813 1 1 1341 . 15 1 1 A 137 137 ILE CB C 137 38.600 37.156 1.444 1 1 1345 . 15 1 1 A 137 137 ILE N N 137 121.100 123.867 -2.767 1 1 1346 . 15 1 1 A 138 138 VAL H H 138 8.730 9.249 -0.519 1 1 1347 . 15 1 1 A 138 138 VAL HA H 138 4.570 4.654 -0.084 1 1 1355 . 15 1 1 A 138 138 VAL CA C 138 59.800 60.764 -0.964 1 1 1356 . 15 1 1 A 138 138 VAL CB C 138 34.700 34.190 0.510 1 1 1359 . 15 1 1 A 138 138 VAL N N 138 125.100 128.793 -3.693 1 1 1360 . 15 1 1 A 139 139 ARG H H 139 8.390 8.420 -0.030 1 1 1361 . 15 1 1 A 139 139 ARG HA H 139 5.210 4.986 0.224 1 1 1368 . 15 1 1 A 139 139 ARG CA C 139 53.500 52.248 1.252 1 1 1369 . 15 1 1 A 139 139 ARG CB C 139 30.100 31.178 -1.078 1 1 1372 . 15 1 1 A 139 139 ARG N N 139 122.800 125.563 -2.763 1 1 1373 . 15 1 1 A 140 140 PRO HA H 140 4.380 4.434 -0.054 1 1 1380 . 15 1 1 A 140 140 PRO CA C 140 62.400 62.796 -0.396 1 1 1381 . 15 1 1 A 140 140 PRO CB C 140 32.000 31.889 0.111 1 1 1384 . 15 1 1 A 141 141 ASP H H 141 8.520 8.415 0.105 1 1 1385 . 15 1 1 A 141 141 ASP HA H 141 4.780 4.695 0.085 1 1 1388 . 15 1 1 A 141 141 ASP CA C 141 54.500 52.748 1.752 1 1 1389 . 15 1 1 A 141 141 ASP CB C 141 40.600 39.953 0.647 1 1 1390 . 15 1 1 A 141 141 ASP N N 141 122.200 121.230 0.970 1 1 1391 . 15 1 1 A 142 142 PRO HA H 142 4.380 4.456 -0.076 1 1 1398 . 15 1 1 A 142 142 PRO CA C 142 63.500 63.898 -0.398 1 1 1399 . 15 1 1 A 142 142 PRO CB C 142 32.000 31.526 0.474 1 1 1402 . 15 1 1 A 143 143 GLU H H 143 8.460 8.118 0.342 1 1 1403 . 15 1 1 A 143 143 GLU HA H 143 4.260 4.642 -0.382 1 1 1408 . 15 1 1 A 143 143 GLU CA C 143 56.000 55.501 0.499 1 1 1409 . 15 1 1 A 143 143 GLU CB C 143 30.000 30.747 -0.747 1 1 1411 . 15 1 1 A 143 143 GLU N N 143 119.500 119.367 0.133 1 1 1412 . 15 1 1 A 144 144 ALA H H 144 8.030 8.282 -0.252 1 1 1413 . 15 1 1 A 144 144 ALA HA H 144 4.590 4.736 -0.146 1 1 1417 . 15 1 1 A 144 144 ALA CA C 144 50.300 50.160 0.140 1 1 1418 . 15 1 1 A 144 144 ALA CB C 144 18.300 19.469 -1.169 1 1 1419 . 15 1 1 A 144 144 ALA N N 144 125.800 127.033 -1.233 1 1 1420 . 15 1 1 A 145 145 PRO HA H 145 4.400 4.501 -0.101 1 1 1427 . 15 1 1 A 145 145 PRO CA C 145 62.900 62.895 0.005 1 1 1428 . 15 1 1 A 145 145 PRO CB C 145 32.000 32.362 -0.362 1 1 1431 . 15 1 1 A 146 146 LEU H H 146 8.330 8.399 -0.069 1 1 1432 . 15 1 1 A 146 146 LEU HA H 146 4.230 4.559 -0.329 1 1 1442 . 15 1 1 A 146 146 LEU CA C 146 55.100 53.783 1.317 1 1 1443 . 15 1 1 A 146 146 LEU CB C 146 42.200 43.494 -1.294 1 1 1447 . 15 1 1 A 146 146 LEU N N 146 122.100 122.687 -0.587 1 1 1448 . 15 1 1 A 147 147 GLU H H 147 8.300 8.428 -0.128 1 1 1449 . 15 1 1 A 147 147 GLU HA H 147 4.220 4.692 -0.472 1 1 1454 . 15 1 1 A 147 147 GLU CA C 147 56.200 54.866 1.334 1 1 1455 . 15 1 1 A 147 147 GLU CB C 147 30.300 32.516 -2.216 1 1 13 . 16 1 1 A 2 2 LYS H H 2 9.020 8.675 0.345 1 1 14 . 16 1 1 A 2 2 LYS HA H 2 5.640 5.360 0.280 1 1 23 . 16 1 1 A 2 2 LYS CA C 2 53.700 55.196 -1.496 1 1 24 . 16 1 1 A 2 2 LYS CB C 2 34.900 34.774 0.126 1 1 28 . 16 1 1 A 2 2 LYS N N 2 125.700 126.503 -0.803 1 1 29 . 16 1 1 A 3 3 THR H H 3 8.850 8.809 0.041 1 1 30 . 16 1 1 A 3 3 THR HA H 3 4.660 4.822 -0.162 1 1 36 . 16 1 1 A 3 3 THR CA C 3 61.600 60.086 1.514 1 1 37 . 16 1 1 A 3 3 THR CB C 3 68.200 70.586 -2.386 1 1 39 . 16 1 1 A 3 3 THR N N 3 117.000 116.209 0.791 1 1 40 . 16 1 1 A 4 4 THR H H 4 8.100 8.281 -0.181 1 1 41 . 16 1 1 A 4 4 THR HA H 4 4.790 4.940 -0.150 1 1 46 . 16 1 1 A 4 4 THR CA C 4 58.500 58.600 -0.100 1 1 47 . 16 1 1 A 4 4 THR CB C 4 68.400 69.766 -1.366 1 1 49 . 16 1 1 A 4 4 THR N N 4 110.200 115.960 -5.760 1 1 50 . 16 1 1 A 5 5 PRO HA H 5 4.110 4.254 -0.144 1 1 57 . 16 1 1 A 5 5 PRO CA C 5 65.300 65.487 -0.187 1 1 58 . 16 1 1 A 5 5 PRO CB C 5 31.800 31.708 0.092 1 1 61 . 16 1 1 A 6 6 ASP H H 6 8.530 8.368 0.162 1 1 62 . 16 1 1 A 6 6 ASP HA H 6 4.350 4.403 -0.053 1 1 65 . 16 1 1 A 6 6 ASP CA C 6 56.300 57.044 -0.744 1 1 66 . 16 1 1 A 6 6 ASP CB C 6 39.500 41.230 -1.730 1 1 67 . 16 1 1 A 6 6 ASP N N 6 114.600 117.559 -2.959 1 1 68 . 16 1 1 A 7 7 ILE H H 7 7.270 7.688 -0.418 1 1 69 . 16 1 1 A 7 7 ILE HA H 7 3.620 3.617 0.003 1 1 79 . 16 1 1 A 7 7 ILE CA C 7 61.900 65.504 -3.604 1 1 80 . 16 1 1 A 7 7 ILE CB C 7 34.900 37.788 -2.888 1 1 84 . 16 1 1 A 7 7 ILE N N 7 121.700 119.240 2.460 1 1 85 . 16 1 1 A 8 8 LEU H H 8 6.960 7.704 -0.744 1 1 86 . 16 1 1 A 8 8 LEU HA H 8 3.710 3.883 -0.173 1 1 96 . 16 1 1 A 8 8 LEU CA C 8 57.800 58.143 -0.343 1 1 97 . 16 1 1 A 8 8 LEU CB C 8 39.900 40.658 -0.758 1 1 101 . 16 1 1 A 8 8 LEU N N 8 117.200 119.393 -2.193 1 1 102 . 16 1 1 A 9 9 ASP H H 9 8.220 8.494 -0.274 1 1 103 . 16 1 1 A 9 9 ASP HA H 9 4.330 4.232 0.098 1 1 106 . 16 1 1 A 9 9 ASP CA C 9 57.600 57.920 -0.320 1 1 107 . 16 1 1 A 9 9 ASP CB C 9 40.100 41.103 -1.003 1 1 108 . 16 1 1 A 9 9 ASP N N 9 117.600 119.943 -2.343 1 1 109 . 16 1 1 A 10 10 GLN H H 10 7.630 8.056 -0.426 1 1 110 . 16 1 1 A 10 10 GLN HA H 10 3.850 4.051 -0.201 1 1 117 . 16 1 1 A 10 10 GLN CA C 10 59.200 58.697 0.503 1 1 118 . 16 1 1 A 10 10 GLN CB C 10 29.300 28.229 1.071 1 1 120 . 16 1 1 A 10 10 GLN N N 10 118.700 117.958 0.742 1 1 122 . 16 1 1 A 11 11 ILE H H 11 7.590 7.952 -0.362 1 1 123 . 16 1 1 A 11 11 ILE HA H 11 2.960 3.801 -0.841 1 1 133 . 16 1 1 A 11 11 ILE CA C 11 65.800 65.311 0.489 1 1 134 . 16 1 1 A 11 11 ILE CB C 11 37.500 37.582 -0.082 1 1 138 . 16 1 1 A 11 11 ILE N N 11 121.700 121.131 0.569 1 1 139 . 16 1 1 A 12 12 ARG H H 12 7.720 7.920 -0.200 1 1 140 . 16 1 1 A 12 12 ARG HA H 12 3.610 3.985 -0.375 1 1 147 . 16 1 1 A 12 12 ARG CA C 12 61.300 58.719 2.581 1 1 148 . 16 1 1 A 12 12 ARG CB C 12 30.100 29.892 0.208 1 1 151 . 16 1 1 A 12 12 ARG N N 12 118.400 120.525 -2.125 1 1 152 . 16 1 1 A 13 13 VAL H H 13 8.480 7.587 0.893 1 1 153 . 16 1 1 A 13 13 VAL HA H 13 3.640 3.547 0.093 1 1 161 . 16 1 1 A 13 13 VAL CA C 13 66.400 66.419 -0.019 1 1 162 . 16 1 1 A 13 13 VAL CB C 13 31.600 31.731 -0.131 1 1 165 . 16 1 1 A 13 13 VAL N N 13 118.400 120.765 -2.365 1 1 166 . 16 1 1 A 14 14 HIS H H 14 7.790 8.394 -0.604 1 1 167 . 16 1 1 A 14 14 HIS HA H 14 4.620 4.326 0.294 1 1 172 . 16 1 1 A 14 14 HIS CA C 14 57.500 58.250 -0.750 1 1 173 . 16 1 1 A 14 14 HIS CB C 14 31.100 28.641 2.459 1 1 176 . 16 1 1 A 14 14 HIS N N 14 119.600 119.624 -0.024 1 1 177 . 16 1 1 A 15 15 GLY H H 15 8.290 7.702 0.588 1 1 178 . 16 1 1 A 15 15 GLY HA2 H 15 3.400 3.456 -0.056 1 1 179 . 16 1 1 A 15 15 GLY HA3 H 15 3.620 3.480 0.140 1 1 180 . 16 1 1 A 15 15 GLY CA C 15 47.800 46.938 0.862 1 1 181 . 16 1 1 A 15 15 GLY N N 15 104.200 109.088 -4.888 1 1 182 . 16 1 1 A 16 16 ALA H H 16 8.650 7.395 1.255 1 1 183 . 16 1 1 A 16 16 ALA HA H 16 3.940 3.937 0.003 1 1 187 . 16 1 1 A 16 16 ALA CA C 16 55.500 54.449 1.051 1 1 188 . 16 1 1 A 16 16 ALA CB C 16 18.600 18.281 0.319 1 1 189 . 16 1 1 A 16 16 ALA N N 16 125.700 124.878 0.822 1 1 190 . 16 1 1 A 17 17 ASP H H 17 9.020 8.490 0.530 1 1 191 . 16 1 1 A 17 17 ASP HA H 17 4.420 4.340 0.080 1 1 194 . 16 1 1 A 17 17 ASP CA C 17 56.700 56.624 0.076 1 1 195 . 16 1 1 A 17 17 ASP CB C 17 41.300 41.065 0.235 1 1 196 . 16 1 1 A 17 17 ASP N N 17 119.300 118.903 0.397 1 1 197 . 16 1 1 A 18 18 ALA H H 18 8.210 7.422 0.788 1 1 198 . 16 1 1 A 18 18 ALA HA H 18 4.180 4.314 -0.134 1 1 202 . 16 1 1 A 18 18 ALA CA C 18 53.100 53.356 -0.256 1 1 203 . 16 1 1 A 18 18 ALA CB C 18 19.000 19.891 -0.891 1 1 204 . 16 1 1 A 18 18 ALA N N 18 118.300 119.891 -1.591 1 1 205 . 16 1 1 A 19 19 TYR H H 19 7.080 7.483 -0.403 1 1 206 . 16 1 1 A 19 19 TYR HA H 19 4.190 4.649 -0.459 1 1 213 . 16 1 1 A 19 19 TYR CA C 19 58.300 57.648 0.652 1 1 214 . 16 1 1 A 19 19 TYR CB C 19 39.100 39.218 -0.118 1 1 217 . 16 1 1 A 19 19 TYR N N 19 118.200 121.397 -3.197 1 1 218 . 16 1 1 A 20 20 PRO HA H 20 2.690 3.671 -0.981 1 1 225 . 16 1 1 A 20 20 PRO CA C 20 63.300 63.417 -0.117 1 1 226 . 16 1 1 A 20 20 PRO CB C 20 33.500 32.483 1.017 1 1 229 . 16 1 1 A 21 21 GLU H H 21 8.660 7.646 1.014 1 1 230 . 16 1 1 A 21 21 GLU HA H 21 4.420 4.402 0.018 1 1 235 . 16 1 1 A 21 21 GLU CA C 21 55.300 56.184 -0.884 1 1 236 . 16 1 1 A 21 21 GLU CB C 21 30.400 30.470 -0.070 1 1 238 . 16 1 1 A 21 21 GLU N N 21 124.800 120.856 3.944 1 1 239 . 16 1 1 A 22 22 GLU H H 22 8.290 8.490 -0.200 1 1 240 . 16 1 1 A 22 22 GLU HA H 22 3.990 4.430 -0.440 1 1 245 . 16 1 1 A 22 22 GLU CA C 22 56.400 55.835 0.565 1 1 246 . 16 1 1 A 22 22 GLU CB C 22 30.900 29.486 1.414 1 1 248 . 16 1 1 A 22 22 GLU N N 22 119.700 122.863 -3.163 1 1 249 . 16 1 1 A 23 23 GLY H H 23 8.770 8.749 0.021 1 1 250 . 16 1 1 A 23 23 GLY HA2 H 23 2.430 4.158 -1.728 1 1 251 . 16 1 1 A 23 23 GLY HA3 H 23 4.270 4.217 0.053 1 1 252 . 16 1 1 A 23 23 GLY CA C 23 42.900 46.430 -3.530 1 1 253 . 16 1 1 A 23 23 GLY N N 23 112.400 114.162 -1.762 1 1 254 . 16 1 1 A 24 24 CYS H H 24 8.580 8.463 0.117 1 1 255 . 16 1 1 A 24 24 CYS HA H 24 4.630 4.716 -0.086 1 1 258 . 16 1 1 A 24 24 CYS CA C 24 54.900 58.647 -3.747 1 1 259 . 16 1 1 A 24 24 CYS CB C 24 31.300 29.417 1.883 1 1 260 . 16 1 1 A 24 24 CYS N N 24 118.100 123.818 -5.718 1 1 261 . 16 1 1 A 25 25 GLY H H 25 6.730 7.436 -0.706 1 1 262 . 16 1 1 A 25 25 GLY HA2 H 25 3.650 3.684 -0.034 1 1 263 . 16 1 1 A 25 25 GLY HA3 H 25 4.030 3.996 0.034 1 1 264 . 16 1 1 A 25 25 GLY CA C 25 45.900 45.627 0.273 1 1 265 . 16 1 1 A 25 25 GLY N N 25 104.600 108.756 -4.156 1 1 266 . 16 1 1 A 26 26 PHE H H 26 9.350 8.460 0.890 1 1 267 . 16 1 1 A 26 26 PHE HA H 26 5.130 5.130 0.000 1 1 275 . 16 1 1 A 26 26 PHE CA C 26 56.900 56.542 0.358 1 1 276 . 16 1 1 A 26 26 PHE CB C 26 43.300 42.828 0.472 1 1 280 . 16 1 1 A 26 26 PHE N N 26 114.900 118.825 -3.925 1 1 281 . 16 1 1 A 27 27 LEU H H 27 8.320 9.551 -1.231 1 1 282 . 16 1 1 A 27 27 LEU HA H 27 4.590 5.211 -0.621 1 1 292 . 16 1 1 A 27 27 LEU CA C 27 52.900 53.920 -1.020 1 1 293 . 16 1 1 A 27 27 LEU CB C 27 41.200 42.665 -1.465 1 1 297 . 16 1 1 A 27 27 LEU N N 27 119.100 123.296 -4.196 1 1 298 . 16 1 1 A 28 28 LEU H H 28 9.050 9.246 -0.196 1 1 299 . 16 1 1 A 28 28 LEU HA H 28 5.390 5.370 0.020 1 1 309 . 16 1 1 A 28 28 LEU CA C 28 51.900 53.253 -1.353 1 1 310 . 16 1 1 A 28 28 LEU CB C 28 42.900 43.953 -1.053 1 1 314 . 16 1 1 A 28 28 LEU N N 28 123.500 125.047 -1.547 1 1 315 . 16 1 1 A 29 29 GLY H H 29 9.950 8.382 1.568 1 1 316 . 16 1 1 A 29 29 GLY HA2 H 29 5.270 4.339 0.931 1 1 317 . 16 1 1 A 29 29 GLY HA3 H 29 3.900 4.345 -0.445 1 1 318 . 16 1 1 A 29 29 GLY CA C 29 46.700 46.276 0.424 1 1 319 . 16 1 1 A 29 29 GLY N N 29 112.400 110.257 2.143 1 1 320 . 16 1 1 A 30 30 THR H H 30 8.810 8.339 0.471 1 1 321 . 16 1 1 A 30 30 THR HA H 30 4.810 5.410 -0.600 1 1 326 . 16 1 1 A 30 30 THR CA C 30 59.900 59.782 0.118 1 1 327 . 16 1 1 A 30 30 THR CB C 30 72.200 72.208 -0.008 1 1 329 . 16 1 1 A 30 30 THR N N 30 116.000 115.262 0.738 1 1 330 . 16 1 1 A 31 31 VAL H H 31 8.530 8.794 -0.264 1 1 331 . 16 1 1 A 31 31 VAL HA H 31 4.830 4.614 0.216 1 1 339 . 16 1 1 A 31 31 VAL CA C 31 61.900 62.105 -0.205 1 1 340 . 16 1 1 A 31 31 VAL CB C 31 32.200 32.063 0.137 1 1 343 . 16 1 1 A 31 31 VAL N N 31 124.200 123.154 1.046 1 1 344 . 16 1 1 A 32 32 THR H H 32 9.040 8.625 0.415 1 1 345 . 16 1 1 A 32 32 THR HA H 32 4.580 4.272 0.308 1 1 350 . 16 1 1 A 32 32 THR CA C 32 61.200 62.251 -1.051 1 1 351 . 16 1 1 A 32 32 THR CB C 32 70.700 68.913 1.787 1 1 353 . 16 1 1 A 32 32 THR N N 32 118.900 121.164 -2.264 1 1 354 . 16 1 1 A 33 33 ASP H H 33 8.980 9.264 -0.284 1 1 355 . 16 1 1 A 33 33 ASP HA H 33 4.400 4.324 0.076 1 1 358 . 16 1 1 A 33 33 ASP CA C 33 56.800 55.255 1.545 1 1 359 . 16 1 1 A 33 33 ASP CB C 33 40.100 40.093 0.007 1 1 360 . 16 1 1 A 33 33 ASP N N 33 121.100 122.121 -1.021 1 1 361 . 16 1 1 A 34 34 ASP H H 34 7.960 8.111 -0.151 1 1 362 . 16 1 1 A 34 34 ASP HA H 34 4.640 4.173 0.467 1 1 365 . 16 1 1 A 34 34 ASP CA C 34 53.500 55.236 -1.736 1 1 366 . 16 1 1 A 34 34 ASP CB C 34 40.400 40.319 0.081 1 1 367 . 16 1 1 A 34 34 ASP N N 34 115.400 117.564 -2.164 1 1 368 . 16 1 1 A 35 35 GLY H H 35 8.080 8.129 -0.049 1 1 369 . 16 1 1 A 35 35 GLY HA2 H 35 3.590 4.109 -0.519 1 1 370 . 16 1 1 A 35 35 GLY HA3 H 35 4.200 4.114 0.086 1 1 371 . 16 1 1 A 35 35 GLY CA C 35 45.400 45.935 -0.535 1 1 372 . 16 1 1 A 35 35 GLY N N 35 108.400 106.556 1.844 1 1 373 . 16 1 1 A 36 36 ASP H H 36 7.690 7.898 -0.208 1 1 374 . 16 1 1 A 36 36 ASP HA H 36 4.790 4.974 -0.184 1 1 377 . 16 1 1 A 36 36 ASP CA C 36 51.900 52.342 -0.442 1 1 378 . 16 1 1 A 36 36 ASP CB C 36 42.300 43.977 -1.677 1 1 379 . 16 1 1 A 36 36 ASP N N 36 120.100 121.091 -0.991 1 1 380 . 16 1 1 A 37 37 ASN H H 37 8.920 8.838 0.082 1 1 381 . 16 1 1 A 37 37 ASN HA H 37 5.180 5.428 -0.248 1 1 386 . 16 1 1 A 37 37 ASN CA C 37 52.900 52.025 0.875 1 1 387 . 16 1 1 A 37 37 ASN CB C 37 38.800 40.451 -1.651 1 1 388 . 16 1 1 A 37 37 ASN N N 37 119.000 120.782 -1.782 1 1 390 . 16 1 1 A 38 38 ARG H H 38 9.480 9.103 0.377 1 1 391 . 16 1 1 A 38 38 ARG HA H 38 5.310 5.237 0.073 1 1 398 . 16 1 1 A 38 38 ARG CA C 38 53.500 54.849 -1.349 1 1 399 . 16 1 1 A 38 38 ARG CB C 38 31.000 32.075 -1.075 1 1 402 . 16 1 1 A 38 38 ARG N N 38 126.900 125.196 1.704 1 1 403 . 16 1 1 A 39 39 VAL H H 39 8.810 8.758 0.052 1 1 404 . 16 1 1 A 39 39 VAL HA H 39 4.150 4.218 -0.068 1 1 412 . 16 1 1 A 39 39 VAL CA C 39 62.800 62.759 0.041 1 1 413 . 16 1 1 A 39 39 VAL CB C 39 33.100 31.894 1.206 1 1 416 . 16 1 1 A 39 39 VAL N N 39 125.700 127.325 -1.625 1 1 417 . 16 1 1 A 40 40 ALA H H 40 9.680 8.792 0.888 1 1 418 . 16 1 1 A 40 40 ALA HA H 40 4.690 4.622 0.068 1 1 422 . 16 1 1 A 40 40 ALA CA C 40 51.300 52.620 -1.320 1 1 423 . 16 1 1 A 40 40 ALA CB C 40 22.700 21.015 1.685 1 1 424 . 16 1 1 A 40 40 ALA N N 40 102.300 129.829 -27.529 1 1 425 . 16 1 1 A 41 41 ALA H H 41 8.370 8.111 0.259 1 1 426 . 16 1 1 A 41 41 ALA HA H 41 4.530 4.942 -0.412 1 1 430 . 16 1 1 A 41 41 ALA CA C 41 51.700 50.933 0.767 1 1 431 . 16 1 1 A 41 41 ALA CB C 41 22.200 23.224 -1.024 1 1 432 . 16 1 1 A 41 41 ALA N N 41 120.200 117.942 2.258 1 1 433 . 16 1 1 A 42 42 LEU H H 42 8.690 8.835 -0.145 1 1 434 . 16 1 1 A 42 42 LEU HA H 42 5.320 5.232 0.088 1 1 444 . 16 1 1 A 42 42 LEU CA C 42 53.500 53.768 -0.268 1 1 445 . 16 1 1 A 42 42 LEU CB C 42 46.300 45.303 0.997 1 1 449 . 16 1 1 A 42 42 LEU N N 42 118.300 119.930 -1.630 1 1 450 . 16 1 1 A 43 43 HIS H H 43 8.820 8.927 -0.107 1 1 451 . 16 1 1 A 43 43 HIS HA H 43 4.870 5.401 -0.531 1 1 456 . 16 1 1 A 43 43 HIS CA C 43 56.300 54.152 2.148 1 1 457 . 16 1 1 A 43 43 HIS CB C 43 34.200 32.880 1.320 1 1 460 . 16 1 1 A 43 43 HIS N N 43 120.700 124.740 -4.040 1 1 461 . 16 1 1 A 44 44 ARG H H 44 8.580 8.631 -0.051 1 1 462 . 16 1 1 A 44 44 ARG HA H 44 4.420 4.580 -0.160 1 1 469 . 16 1 1 A 44 44 ARG CA C 44 57.400 55.536 1.864 1 1 470 . 16 1 1 A 44 44 ARG CB C 44 31.100 31.677 -0.577 1 1 473 . 16 1 1 A 44 44 ARG N N 44 128.300 125.278 3.022 1 1 474 . 16 1 1 A 45 45 ALA H H 45 8.580 8.949 -0.369 1 1 475 . 16 1 1 A 45 45 ALA HA H 45 4.720 4.926 -0.206 1 1 479 . 16 1 1 A 45 45 ALA CA C 45 51.500 51.629 -0.129 1 1 480 . 16 1 1 A 45 45 ALA CB C 45 20.200 20.020 0.180 1 1 481 . 16 1 1 A 45 45 ALA N N 45 125.700 126.481 -0.781 1 1 482 . 16 1 1 A 46 46 THR H H 46 8.250 8.778 -0.528 1 1 483 . 16 1 1 A 46 46 THR HA H 46 4.270 4.740 -0.470 1 1 488 . 16 1 1 A 46 46 THR CA C 46 62.000 60.713 1.287 1 1 489 . 16 1 1 A 46 46 THR CB C 46 69.900 70.466 -0.566 1 1 491 . 16 1 1 A 46 46 THR N N 46 115.500 115.790 -0.290 1 1 492 . 16 1 1 A 47 47 ASN H H 47 8.590 8.815 -0.225 1 1 493 . 16 1 1 A 47 47 ASN HA H 47 4.620 5.187 -0.567 1 1 498 . 16 1 1 A 47 47 ASN CA C 47 53.400 52.241 1.159 1 1 499 . 16 1 1 A 47 47 ASN CB C 47 38.400 39.574 -1.174 1 1 500 . 16 1 1 A 47 47 ASN N N 47 122.400 122.831 -0.431 1 1 502 . 16 1 1 A 50 50 SER H H 50 8.480 9.000 -0.520 1 1 503 . 16 1 1 A 50 50 SER HA H 50 4.400 4.780 -0.380 1 1 506 . 16 1 1 A 50 50 SER CA C 50 58.900 57.421 1.479 1 1 507 . 16 1 1 A 50 50 SER CB C 50 63.600 63.637 -0.037 1 1 508 . 16 1 1 A 50 50 SER N N 50 116.600 122.386 -5.786 1 1 509 . 16 1 1 A 51 51 GLU H H 51 8.510 7.655 0.855 1 1 510 . 16 1 1 A 51 51 GLU HA H 51 4.300 4.464 -0.164 1 1 515 . 16 1 1 A 51 51 GLU CA C 51 56.800 55.968 0.832 1 1 516 . 16 1 1 A 51 51 GLU CB C 51 29.900 28.984 0.916 1 1 518 . 16 1 1 A 51 51 GLU N N 51 121.800 121.903 -0.103 1 1 519 . 16 1 1 A 52 52 GLN H H 52 8.300 8.484 -0.184 1 1 520 . 16 1 1 A 52 52 GLN HA H 52 4.310 4.542 -0.232 1 1 527 . 16 1 1 A 52 52 GLN CA C 52 55.900 55.216 0.684 1 1 528 . 16 1 1 A 52 52 GLN CB C 52 29.000 29.681 -0.681 1 1 530 . 16 1 1 A 52 52 GLN N N 52 119.500 126.627 -7.127 1 1 532 . 16 1 1 A 53 53 ARG H H 53 8.350 7.448 0.902 1 1 533 . 16 1 1 A 53 53 ARG HA H 53 4.310 4.935 -0.625 1 1 540 . 16 1 1 A 53 53 ARG CA C 53 56.800 54.934 1.866 1 1 541 . 16 1 1 A 53 53 ARG CB C 53 30.700 33.930 -3.230 1 1 544 . 16 1 1 A 53 53 ARG N N 53 121.000 119.824 1.176 1 1 545 . 16 1 1 A 54 54 THR H H 54 8.140 8.608 -0.468 1 1 546 . 16 1 1 A 54 54 THR HA H 54 4.340 4.325 0.015 1 1 551 . 16 1 1 A 54 54 THR CA C 54 61.900 62.251 -0.351 1 1 552 . 16 1 1 A 54 54 THR CB C 54 69.600 68.927 0.673 1 1 554 . 16 1 1 A 54 54 THR N N 54 113.100 116.052 -2.952 1 1 555 . 16 1 1 A 64 64 TYR H H 64 8.220 7.943 0.277 1 1 556 . 16 1 1 A 64 64 TYR HA H 64 3.360 3.607 -0.247 1 1 563 . 16 1 1 A 64 64 TYR CA C 64 61.600 60.845 0.755 1 1 564 . 16 1 1 A 64 64 TYR CB C 64 37.700 38.552 -0.852 1 1 567 . 16 1 1 A 64 64 TYR N N 64 120.700 122.979 -2.279 1 1 568 . 16 1 1 A 65 65 ARG H H 65 8.340 8.648 -0.308 1 1 569 . 16 1 1 A 65 65 ARG HA H 65 3.930 3.689 0.241 1 1 576 . 16 1 1 A 65 65 ARG CA C 65 59.600 59.505 0.095 1 1 577 . 16 1 1 A 65 65 ARG CB C 65 30.100 30.227 -0.127 1 1 580 . 16 1 1 A 65 65 ARG N N 65 119.200 118.522 0.678 1 1 581 . 16 1 1 A 66 66 ALA H H 66 7.790 7.418 0.372 1 1 582 . 16 1 1 A 66 66 ALA HA H 66 4.090 4.006 0.084 1 1 586 . 16 1 1 A 66 66 ALA CA C 66 54.700 54.801 -0.101 1 1 587 . 16 1 1 A 66 66 ALA CB C 66 18.100 18.107 -0.007 1 1 588 . 16 1 1 A 66 66 ALA N N 66 121.900 121.677 0.223 1 1 589 . 16 1 1 A 67 67 ALA H H 67 7.550 7.068 0.482 1 1 590 . 16 1 1 A 67 67 ALA HA H 67 2.940 2.969 -0.029 1 1 594 . 16 1 1 A 67 67 ALA CA C 67 54.300 54.486 -0.186 1 1 595 . 16 1 1 A 67 67 ALA CB C 67 18.000 17.588 0.412 1 1 596 . 16 1 1 A 67 67 ALA N N 67 123.000 120.155 2.845 1 1 597 . 16 1 1 A 68 68 ASP H H 68 8.320 8.278 0.042 1 1 598 . 16 1 1 A 68 68 ASP HA H 68 4.100 4.026 0.074 1 1 601 . 16 1 1 A 68 68 ASP CA C 68 56.800 55.890 0.910 1 1 602 . 16 1 1 A 68 68 ASP CB C 68 41.400 40.800 0.600 1 1 603 . 16 1 1 A 68 68 ASP N N 68 118.100 118.509 -0.409 1 1 604 . 16 1 1 A 69 69 ALA H H 69 7.790 8.196 -0.406 1 1 605 . 16 1 1 A 69 69 ALA HA H 69 4.010 4.028 -0.018 1 1 609 . 16 1 1 A 69 69 ALA CA C 69 55.000 54.788 0.212 1 1 610 . 16 1 1 A 69 69 ALA CB C 69 17.600 17.899 -0.299 1 1 611 . 16 1 1 A 69 69 ALA N N 69 121.200 120.694 0.506 1 1 612 . 16 1 1 A 70 70 ALA H H 70 7.490 7.722 -0.232 1 1 613 . 16 1 1 A 70 70 ALA HA H 70 4.070 4.415 -0.345 1 1 617 . 16 1 1 A 70 70 ALA CA C 70 54.500 54.847 -0.347 1 1 618 . 16 1 1 A 70 70 ALA CB C 70 17.900 18.254 -0.354 1 1 619 . 16 1 1 A 70 70 ALA N N 70 121.200 119.702 1.498 1 1 620 . 16 1 1 A 71 71 ALA H H 71 8.620 7.697 0.923 1 1 621 . 16 1 1 A 71 71 ALA HA H 71 3.660 3.999 -0.339 1 1 625 . 16 1 1 A 71 71 ALA CA C 71 55.300 55.296 0.004 1 1 626 . 16 1 1 A 71 71 ALA CB C 71 17.800 18.134 -0.334 1 1 627 . 16 1 1 A 71 71 ALA N N 71 121.600 120.282 1.318 1 1 628 . 16 1 1 A 72 72 GLN H H 72 8.700 8.096 0.604 1 1 629 . 16 1 1 A 72 72 GLN HA H 72 4.080 4.035 0.045 1 1 636 . 16 1 1 A 72 72 GLN CA C 72 59.000 58.717 0.283 1 1 637 . 16 1 1 A 72 72 GLN CB C 72 28.000 28.378 -0.378 1 1 639 . 16 1 1 A 72 72 GLN N N 72 118.600 117.106 1.494 1 1 641 . 16 1 1 A 73 73 GLU H H 73 7.640 8.539 -0.899 1 1 642 . 16 1 1 A 73 73 GLU HA H 73 4.080 4.019 0.061 1 1 647 . 16 1 1 A 73 73 GLU CA C 73 58.800 59.133 -0.333 1 1 648 . 16 1 1 A 73 73 GLU CB C 73 29.600 29.451 0.149 1 1 650 . 16 1 1 A 73 73 GLU N N 73 119.000 120.750 -1.750 1 1 651 . 16 1 1 A 74 74 GLN H H 74 7.400 7.621 -0.221 1 1 652 . 16 1 1 A 74 74 GLN HA H 74 4.470 4.382 0.088 1 1 659 . 16 1 1 A 74 74 GLN CA C 74 55.000 55.605 -0.605 1 1 660 . 16 1 1 A 74 74 GLN CB C 74 30.900 29.213 1.687 1 1 662 . 16 1 1 A 74 74 GLN N N 74 114.600 116.490 -1.890 1 1 664 . 16 1 1 A 75 75 GLY H H 75 7.830 7.967 -0.137 1 1 665 . 16 1 1 A 75 75 GLY HA2 H 75 3.950 3.941 0.009 1 1 666 . 16 1 1 A 75 75 GLY HA3 H 75 3.870 3.943 -0.073 1 1 667 . 16 1 1 A 75 75 GLY CA C 75 46.500 46.458 0.042 1 1 668 . 16 1 1 A 75 75 GLY N N 75 109.300 109.130 0.170 1 1 669 . 16 1 1 A 76 76 LEU H H 76 8.110 8.342 -0.232 1 1 670 . 16 1 1 A 76 76 LEU HA H 76 4.650 4.925 -0.275 1 1 680 . 16 1 1 A 76 76 LEU CA C 76 52.500 53.131 -0.631 1 1 681 . 16 1 1 A 76 76 LEU CB C 76 45.700 45.212 0.488 1 1 685 . 16 1 1 A 76 76 LEU N N 76 119.300 120.430 -1.130 1 1 686 . 16 1 1 A 77 77 ASP H H 77 8.990 9.235 -0.245 1 1 687 . 16 1 1 A 77 77 ASP HA H 77 5.120 5.177 -0.057 1 1 690 . 16 1 1 A 77 77 ASP CA C 77 52.600 52.529 0.071 1 1 691 . 16 1 1 A 77 77 ASP CB C 77 44.600 44.300 0.300 1 1 692 . 16 1 1 A 77 77 ASP N N 77 117.600 117.826 -0.226 1 1 693 . 16 1 1 A 78 78 VAL H H 78 9.070 9.017 0.053 1 1 694 . 16 1 1 A 78 78 VAL HA H 78 4.090 4.433 -0.343 1 1 702 . 16 1 1 A 78 78 VAL CA C 78 63.900 63.100 0.800 1 1 703 . 16 1 1 A 78 78 VAL CB C 78 30.900 31.369 -0.469 1 1 706 . 16 1 1 A 78 78 VAL N N 78 121.900 121.006 0.894 1 1 707 . 16 1 1 A 79 79 VAL H H 79 8.360 8.931 -0.571 1 1 708 . 16 1 1 A 79 79 VAL HA H 79 4.300 4.455 -0.155 1 1 716 . 16 1 1 A 79 79 VAL CA C 79 59.500 62.005 -2.505 1 1 717 . 16 1 1 A 79 79 VAL CB C 79 32.600 32.591 0.009 1 1 720 . 16 1 1 A 79 79 VAL N N 79 116.700 122.116 -5.416 1 1 721 . 16 1 1 A 80 80 GLY H H 80 6.970 7.281 -0.311 1 1 722 . 16 1 1 A 80 80 GLY HA2 H 80 4.380 4.204 0.176 1 1 723 . 16 1 1 A 80 80 GLY HA3 H 80 3.550 4.340 -0.790 1 1 724 . 16 1 1 A 80 80 GLY CA C 80 46.900 46.203 0.697 1 1 725 . 16 1 1 A 80 80 GLY N N 80 106.200 109.027 -2.827 1 1 726 . 16 1 1 A 81 81 VAL H H 81 8.510 8.689 -0.179 1 1 727 . 16 1 1 A 81 81 VAL HA H 81 4.900 4.885 0.015 1 1 735 . 16 1 1 A 81 81 VAL CA C 81 59.400 60.420 -1.020 1 1 736 . 16 1 1 A 81 81 VAL CB C 81 37.600 35.899 1.701 1 1 739 . 16 1 1 A 81 81 VAL N N 81 116.200 119.163 -2.963 1 1 740 . 16 1 1 A 82 82 TYR H H 82 8.370 8.581 -0.211 1 1 741 . 16 1 1 A 82 82 TYR HA H 82 6.000 6.037 -0.037 1 1 748 . 16 1 1 A 82 82 TYR CA C 82 54.900 55.472 -0.572 1 1 749 . 16 1 1 A 82 82 TYR CB C 82 42.800 42.313 0.487 1 1 752 . 16 1 1 A 82 82 TYR N N 82 118.100 121.554 -3.454 1 1 753 . 16 1 1 A 83 83 HIS H H 83 8.520 8.859 -0.339 1 1 754 . 16 1 1 A 83 83 HIS HA H 83 5.150 5.459 -0.309 1 1 759 . 16 1 1 A 83 83 HIS CA C 83 54.900 53.951 0.949 1 1 760 . 16 1 1 A 83 83 HIS CB C 83 33.200 32.956 0.244 1 1 763 . 16 1 1 A 83 83 HIS N N 83 115.400 117.463 -2.063 1 1 764 . 16 1 1 A 84 84 SER H H 84 9.060 8.545 0.515 1 1 765 . 16 1 1 A 84 84 SER HA H 84 5.590 5.210 0.380 1 1 768 . 16 1 1 A 84 84 SER CA C 84 55.800 57.947 -2.147 1 1 769 . 16 1 1 A 84 84 SER CB C 84 65.500 64.805 0.695 1 1 770 . 16 1 1 A 84 84 SER N N 84 117.100 118.011 -0.911 1 1 771 . 16 1 1 A 85 85 HIS H H 85 8.980 8.582 0.398 1 1 772 . 16 1 1 A 85 85 HIS HA H 85 4.830 5.609 -0.779 1 1 777 . 16 1 1 A 85 85 HIS CA C 85 50.400 53.383 -2.983 1 1 778 . 16 1 1 A 85 85 HIS CB C 85 32.000 32.749 -0.749 1 1 781 . 16 1 1 A 85 85 HIS N N 85 117.600 121.182 -3.582 1 1 782 . 16 1 1 A 86 86 PRO HA H 86 5.080 4.397 0.683 1 1 789 . 16 1 1 A 86 86 PRO CA C 86 62.400 63.461 -1.061 1 1 790 . 16 1 1 A 86 86 PRO CB C 86 32.400 32.488 -0.088 1 1 793 . 16 1 1 A 87 87 ASP H H 87 10.300 9.175 1.125 1 1 794 . 16 1 1 A 87 87 ASP HA H 87 4.320 4.434 -0.114 1 1 797 . 16 1 1 A 87 87 ASP CA C 87 56.600 54.335 2.265 1 1 798 . 16 1 1 A 87 87 ASP CB C 87 39.600 40.213 -0.613 1 1 799 . 16 1 1 A 87 87 ASP N N 87 123.100 124.056 -0.956 1 1 800 . 16 1 1 A 88 88 HIS H H 88 7.500 8.398 -0.898 1 1 801 . 16 1 1 A 88 88 HIS HA H 88 5.050 4.705 0.345 1 1 806 . 16 1 1 A 88 88 HIS CA C 88 54.700 57.032 -2.332 1 1 807 . 16 1 1 A 88 88 HIS CB C 88 32.400 28.578 3.822 1 1 810 . 16 1 1 A 88 88 HIS N N 88 115.000 117.639 -2.639 1 1 811 . 16 1 1 A 89 89 PRO HA H 89 4.370 4.589 -0.219 1 1 818 . 16 1 1 A 89 89 PRO CA C 89 62.700 62.425 0.275 1 1 819 . 16 1 1 A 89 89 PRO CB C 89 31.600 29.544 2.056 1 1 822 . 16 1 1 A 90 90 ALA H H 90 8.020 8.525 -0.505 1 1 823 . 16 1 1 A 90 90 ALA HA H 90 4.290 3.864 0.426 1 1 827 . 16 1 1 A 90 90 ALA CA C 90 50.800 53.897 -3.097 1 1 828 . 16 1 1 A 90 90 ALA CB C 90 16.600 18.077 -1.477 1 1 829 . 16 1 1 A 90 90 ALA N N 90 125.800 120.986 4.814 1 1 830 . 16 1 1 A 91 91 ARG H H 91 7.990 8.347 -0.357 1 1 831 . 16 1 1 A 91 91 ARG HA H 91 4.300 4.042 0.258 1 1 838 . 16 1 1 A 91 91 ARG CA C 91 53.100 57.480 -4.380 1 1 839 . 16 1 1 A 91 91 ARG CB C 91 31.800 29.180 2.620 1 1 842 . 16 1 1 A 91 91 ARG N N 91 121.900 115.516 6.384 1 1 843 . 16 1 1 A 92 92 PRO HA H 92 4.070 4.292 -0.222 1 1 850 . 16 1 1 A 92 92 PRO CA C 92 62.300 62.625 -0.325 1 1 851 . 16 1 1 A 92 92 PRO CB C 92 32.500 31.140 1.360 1 1 854 . 16 1 1 A 93 93 SER H H 93 9.960 8.181 1.779 1 1 855 . 16 1 1 A 93 93 SER HA H 93 4.630 4.426 0.204 1 1 858 . 16 1 1 A 93 93 SER CA C 93 56.300 57.741 -1.441 1 1 859 . 16 1 1 A 93 93 SER CB C 93 66.500 64.224 2.276 1 1 860 . 16 1 1 A 93 93 SER N N 93 121.800 117.919 3.881 1 1 861 . 16 1 1 A 94 94 ALA H H 94 8.880 8.929 -0.049 1 1 862 . 16 1 1 A 94 94 ALA HA H 94 4.130 3.957 0.173 1 1 866 . 16 1 1 A 94 94 ALA CA C 94 55.400 55.569 -0.169 1 1 867 . 16 1 1 A 94 94 ALA CB C 94 18.000 18.096 -0.096 1 1 868 . 16 1 1 A 94 94 ALA N N 94 123.100 124.912 -1.812 1 1 869 . 16 1 1 A 95 95 THR H H 95 7.870 7.838 0.032 1 1 870 . 16 1 1 A 95 95 THR HA H 95 3.920 3.930 -0.010 1 1 875 . 16 1 1 A 95 95 THR CA C 95 65.700 66.578 -0.878 1 1 876 . 16 1 1 A 95 95 THR CB C 95 68.400 68.596 -0.196 1 1 878 . 16 1 1 A 95 95 THR N N 95 114.300 113.350 0.950 1 1 879 . 16 1 1 A 96 96 ASP H H 96 7.420 8.191 -0.771 1 1 880 . 16 1 1 A 96 96 ASP HA H 96 4.230 4.301 -0.071 1 1 883 . 16 1 1 A 96 96 ASP CA C 96 57.400 57.614 -0.214 1 1 884 . 16 1 1 A 96 96 ASP CB C 96 40.100 41.550 -1.450 1 1 885 . 16 1 1 A 96 96 ASP N N 96 121.000 121.160 -0.160 1 1 886 . 16 1 1 A 97 97 LEU H H 97 7.490 8.271 -0.781 1 1 887 . 16 1 1 A 97 97 LEU HA H 97 4.000 4.138 -0.138 1 1 897 . 16 1 1 A 97 97 LEU CA C 97 57.600 57.792 -0.192 1 1 898 . 16 1 1 A 97 97 LEU CB C 97 41.400 41.597 -0.197 1 1 902 . 16 1 1 A 97 97 LEU N N 97 118.900 120.398 -1.498 1 1 903 . 16 1 1 A 98 98 GLU H H 98 7.690 7.881 -0.191 1 1 904 . 16 1 1 A 98 98 GLU HA H 98 3.900 3.970 -0.070 1 1 909 . 16 1 1 A 98 98 GLU CA C 98 58.700 59.882 -1.182 1 1 910 . 16 1 1 A 98 98 GLU CB C 98 29.600 29.536 0.064 1 1 912 . 16 1 1 A 98 98 GLU N N 98 119.100 118.720 0.380 1 1 913 . 16 1 1 A 99 99 GLU H H 99 7.500 7.274 0.226 1 1 914 . 16 1 1 A 99 99 GLU HA H 99 4.200 4.339 -0.139 1 1 919 . 16 1 1 A 99 99 GLU CA C 99 56.100 56.270 -0.170 1 1 920 . 16 1 1 A 99 99 GLU CB C 99 30.000 30.334 -0.334 1 1 922 . 16 1 1 A 99 99 GLU N N 99 114.300 116.773 -2.473 1 1 923 . 16 1 1 A 100 100 ALA H H 100 7.400 7.328 0.072 1 1 924 . 16 1 1 A 100 100 ALA HA H 100 4.620 4.344 0.276 1 1 928 . 16 1 1 A 100 100 ALA CA C 100 52.000 51.224 0.776 1 1 929 . 16 1 1 A 100 100 ALA CB C 100 18.100 17.216 0.884 1 1 930 . 16 1 1 A 100 100 ALA N N 100 125.900 124.983 0.917 1 1 931 . 16 1 1 A 101 101 THR H H 101 7.790 8.155 -0.365 1 1 932 . 16 1 1 A 101 101 THR HA H 101 4.050 4.586 -0.536 1 1 937 . 16 1 1 A 101 101 THR CA C 101 61.200 61.257 -0.057 1 1 938 . 16 1 1 A 101 101 THR CB C 101 68.900 68.491 0.409 1 1 940 . 16 1 1 A 101 101 THR N N 101 111.700 117.770 -6.070 1 1 941 . 16 1 1 A 102 102 PHE H H 102 7.320 7.462 -0.142 1 1 942 . 16 1 1 A 102 102 PHE HA H 102 4.750 5.149 -0.399 1 1 950 . 16 1 1 A 102 102 PHE CA C 102 54.300 54.955 -0.655 1 1 951 . 16 1 1 A 102 102 PHE CB C 102 38.200 39.499 -1.299 1 1 955 . 16 1 1 A 102 102 PHE N N 102 120.200 121.051 -0.851 1 1 956 . 16 1 1 A 103 103 PRO HA H 103 4.480 4.475 0.005 1 1 963 . 16 1 1 A 103 103 PRO CA C 103 64.100 63.855 0.245 1 1 964 . 16 1 1 A 103 103 PRO CB C 103 32.000 32.267 -0.267 1 1 967 . 16 1 1 A 104 104 GLY H H 104 8.920 8.936 -0.016 1 1 968 . 16 1 1 A 104 104 GLY HA2 H 104 4.270 3.760 0.510 1 1 969 . 16 1 1 A 104 104 GLY HA3 H 104 4.160 3.845 0.315 1 1 970 . 16 1 1 A 104 104 GLY CA C 104 45.600 45.139 0.461 1 1 971 . 16 1 1 A 104 104 GLY N N 104 109.600 111.509 -1.909 1 1 972 . 16 1 1 A 105 105 PHE H H 105 7.250 8.168 -0.918 1 1 973 . 16 1 1 A 105 105 PHE HA H 105 4.930 4.468 0.462 1 1 981 . 16 1 1 A 105 105 PHE CA C 105 54.900 58.130 -3.230 1 1 982 . 16 1 1 A 105 105 PHE CB C 105 39.400 39.844 -0.444 1 1 986 . 16 1 1 A 105 105 PHE N N 105 120.100 119.779 0.321 1 1 987 . 16 1 1 A 106 106 THR H H 106 8.110 8.407 -0.297 1 1 988 . 16 1 1 A 106 106 THR HA H 106 4.840 4.714 0.126 1 1 993 . 16 1 1 A 106 106 THR CA C 106 64.400 62.371 2.029 1 1 994 . 16 1 1 A 106 106 THR CB C 106 70.500 69.912 0.588 1 1 996 . 16 1 1 A 106 106 THR N N 106 118.600 117.911 0.689 1 1 997 . 16 1 1 A 107 107 TYR H H 107 9.660 9.259 0.401 1 1 998 . 16 1 1 A 107 107 TYR HA H 107 5.150 6.009 -0.859 1 1 1005 . 16 1 1 A 107 107 TYR CA C 107 56.900 57.273 -0.373 1 1 1006 . 16 1 1 A 107 107 TYR CB C 107 38.900 39.946 -1.046 1 1 1009 . 16 1 1 A 107 107 TYR N N 107 126.600 126.877 -0.277 1 1 1010 . 16 1 1 A 108 108 VAL H H 108 9.270 9.323 -0.053 1 1 1011 . 16 1 1 A 108 108 VAL HA H 108 5.220 4.666 0.554 1 1 1019 . 16 1 1 A 108 108 VAL CA C 108 60.800 62.430 -1.630 1 1 1020 . 16 1 1 A 108 108 VAL CB C 108 33.500 32.569 0.931 1 1 1023 . 16 1 1 A 108 108 VAL N N 108 124.400 123.996 0.404 1 1 1024 . 16 1 1 A 109 109 ILE H H 109 9.300 9.729 -0.429 1 1 1025 . 16 1 1 A 109 109 ILE HA H 109 5.150 4.617 0.533 1 1 1035 . 16 1 1 A 109 109 ILE CA C 109 58.000 59.589 -1.589 1 1 1036 . 16 1 1 A 109 109 ILE CB C 109 39.600 39.039 0.561 1 1 1040 . 16 1 1 A 109 109 ILE N N 109 128.500 129.179 -0.679 1 1 1041 . 16 1 1 A 110 110 VAL H H 110 7.910 8.867 -0.957 1 1 1042 . 16 1 1 A 110 110 VAL HA H 110 5.650 5.218 0.432 1 1 1050 . 16 1 1 A 110 110 VAL CA C 110 56.800 59.491 -2.691 1 1 1051 . 16 1 1 A 110 110 VAL CB C 110 35.400 34.754 0.646 1 1 1054 . 16 1 1 A 110 110 VAL N N 110 122.600 127.552 -4.952 1 1 1055 . 16 1 1 A 111 111 SER H H 111 9.390 8.618 0.772 1 1 1056 . 16 1 1 A 111 111 SER HA H 111 4.850 4.696 0.154 1 1 1059 . 16 1 1 A 111 111 SER CA C 111 57.700 56.801 0.899 1 1 1060 . 16 1 1 A 111 111 SER CB C 111 64.500 63.804 0.696 1 1 1061 . 16 1 1 A 111 111 SER N N 111 124.700 124.441 0.259 1 1 1062 . 16 1 1 A 112 112 VAL H H 112 7.850 8.980 -1.130 1 1 1063 . 16 1 1 A 112 112 VAL HA H 112 4.530 4.417 0.113 1 1 1071 . 16 1 1 A 112 112 VAL CA C 112 61.000 61.399 -0.399 1 1 1072 . 16 1 1 A 112 112 VAL CB C 112 33.800 32.448 1.352 1 1 1075 . 16 1 1 A 112 112 VAL N N 112 126.100 127.736 -1.636 1 1 1076 . 16 1 1 A 113 113 ARG H H 113 8.620 8.929 -0.309 1 1 1077 . 16 1 1 A 113 113 ARG HA H 113 5.020 4.693 0.327 1 1 1084 . 16 1 1 A 113 113 ARG CA C 113 54.100 54.430 -0.330 1 1 1085 . 16 1 1 A 113 113 ARG CB C 113 31.500 32.647 -1.147 1 1 1088 . 16 1 1 A 113 113 ARG N N 113 128.800 127.137 1.663 1 1 1089 . 16 1 1 A 114 114 ASP H H 114 9.650 9.497 0.153 1 1 1090 . 16 1 1 A 114 114 ASP HA H 114 4.370 4.531 -0.161 1 1 1093 . 16 1 1 A 114 114 ASP CA C 114 55.100 55.434 -0.334 1 1 1094 . 16 1 1 A 114 114 ASP CB C 114 39.800 40.518 -0.718 1 1 1095 . 16 1 1 A 114 114 ASP N N 114 128.100 124.095 4.005 1 1 1096 . 16 1 1 A 115 115 GLY H H 115 8.350 8.099 0.251 1 1 1097 . 16 1 1 A 115 115 GLY HA2 H 115 3.980 3.710 0.270 1 1 1098 . 16 1 1 A 115 115 GLY HA3 H 115 2.460 4.003 -1.543 1 1 1099 . 16 1 1 A 115 115 GLY CA C 115 45.500 44.958 0.542 1 1 1100 . 16 1 1 A 115 115 GLY N N 115 109.900 105.791 4.109 1 1 1101 . 16 1 1 A 116 116 ALA H H 116 7.610 7.535 0.075 1 1 1102 . 16 1 1 A 116 116 ALA HA H 116 4.920 4.476 0.444 1 1 1106 . 16 1 1 A 116 116 ALA CA C 116 48.200 48.992 -0.792 1 1 1107 . 16 1 1 A 116 116 ALA CB C 116 19.600 20.560 -0.960 1 1 1108 . 16 1 1 A 116 116 ALA N N 116 123.900 123.586 0.314 1 1 1109 . 16 1 1 A 117 117 PRO HA H 117 4.670 5.047 -0.377 1 1 1116 . 16 1 1 A 117 117 PRO CA C 117 62.900 62.531 0.369 1 1 1117 . 16 1 1 A 117 117 PRO CB C 117 31.500 31.718 -0.218 1 1 1120 . 16 1 1 A 118 118 GLU H H 118 8.900 9.097 -0.197 1 1 1121 . 16 1 1 A 118 118 GLU HA H 118 4.540 4.253 0.287 1 1 1126 . 16 1 1 A 118 118 GLU CA C 118 56.200 59.032 -2.832 1 1 1127 . 16 1 1 A 118 118 GLU CB C 118 30.500 30.429 0.071 1 1 1129 . 16 1 1 A 118 118 GLU N N 118 127.400 123.788 3.612 1 1 1130 . 16 1 1 A 119 119 ALA H H 119 8.060 8.028 0.032 1 1 1131 . 16 1 1 A 119 119 ALA HA H 119 4.460 4.705 -0.245 1 1 1135 . 16 1 1 A 119 119 ALA CA C 119 52.600 50.022 2.578 1 1 1136 . 16 1 1 A 119 119 ALA CB C 119 21.000 20.999 0.001 1 1 1137 . 16 1 1 A 119 119 ALA N N 119 123.500 121.936 1.564 1 1 1138 . 16 1 1 A 120 120 LEU H H 120 8.170 9.106 -0.936 1 1 1139 . 16 1 1 A 120 120 LEU HA H 120 5.400 5.154 0.246 1 1 1149 . 16 1 1 A 120 120 LEU CA C 120 55.000 53.501 1.499 1 1 1150 . 16 1 1 A 120 120 LEU CB C 120 45.300 43.105 2.195 1 1 1154 . 16 1 1 A 120 120 LEU N N 120 123.500 123.313 0.187 1 1 1155 . 16 1 1 A 121 121 THR H H 121 9.450 9.182 0.268 1 1 1156 . 16 1 1 A 121 121 THR HA H 121 4.520 4.981 -0.461 1 1 1161 . 16 1 1 A 121 121 THR CA C 121 58.700 60.155 -1.455 1 1 1162 . 16 1 1 A 121 121 THR CB C 121 72.100 71.666 0.434 1 1 1164 . 16 1 1 A 121 121 THR N N 121 117.400 115.463 1.937 1 1 1165 . 16 1 1 A 122 122 ALA H H 122 8.620 8.634 -0.014 1 1 1166 . 16 1 1 A 122 122 ALA HA H 122 5.370 5.546 -0.176 1 1 1170 . 16 1 1 A 122 122 ALA CA C 122 50.400 49.836 0.564 1 1 1171 . 16 1 1 A 122 122 ALA CB C 122 21.900 22.256 -0.356 1 1 1172 . 16 1 1 A 122 122 ALA N N 122 123.400 124.689 -1.289 1 1 1173 . 16 1 1 A 123 123 TRP H H 123 8.740 9.416 -0.676 1 1 1174 . 16 1 1 A 123 123 TRP HA H 123 5.090 5.174 -0.084 1 1 1183 . 16 1 1 A 123 123 TRP CA C 123 56.700 56.488 0.212 1 1 1184 . 16 1 1 A 123 123 TRP CB C 123 33.300 33.569 -0.269 1 1 1190 . 16 1 1 A 123 123 TRP N N 123 118.700 121.229 -2.529 1 1 1192 . 16 1 1 A 124 124 ALA H H 124 9.570 8.835 0.735 1 1 1193 . 16 1 1 A 124 124 ALA HA H 124 5.360 5.249 0.111 1 1 1197 . 16 1 1 A 124 124 ALA CA C 124 50.300 50.112 0.188 1 1 1198 . 16 1 1 A 124 124 ALA CB C 124 22.600 20.801 1.799 1 1 1199 . 16 1 1 A 124 124 ALA N N 124 123.200 125.602 -2.402 1 1 1200 . 16 1 1 A 125 125 LEU H H 125 9.830 8.756 1.074 1 1 1201 . 16 1 1 A 125 125 LEU HA H 125 4.190 4.219 -0.029 1 1 1211 . 16 1 1 A 125 125 LEU CA C 125 54.700 54.375 0.325 1 1 1212 . 16 1 1 A 125 125 LEU CB C 125 44.000 43.763 0.237 1 1 1216 . 16 1 1 A 125 125 LEU N N 125 125.000 125.251 -0.251 1 1 1217 . 16 1 1 A 126 126 ALA H H 126 8.310 8.329 -0.019 1 1 1218 . 16 1 1 A 126 126 ALA HA H 126 4.460 4.747 -0.287 1 1 1222 . 16 1 1 A 126 126 ALA CA C 126 51.100 50.785 0.315 1 1 1223 . 16 1 1 A 126 126 ALA CB C 126 18.300 17.841 0.459 1 1 1224 . 16 1 1 A 126 126 ALA N N 126 127.000 129.262 -2.262 1 1 1225 . 16 1 1 A 127 127 PRO HA H 127 4.340 4.392 -0.052 1 1 1232 . 16 1 1 A 127 127 PRO CA C 127 65.400 65.606 -0.206 1 1 1233 . 16 1 1 A 127 127 PRO CB C 127 31.800 31.723 0.077 1 1 1236 . 16 1 1 A 128 128 ASP H H 128 7.680 7.610 0.070 1 1 1237 . 16 1 1 A 128 128 ASP HA H 128 4.550 4.702 -0.152 1 1 1240 . 16 1 1 A 128 128 ASP CA C 128 52.900 53.884 -0.984 1 1 1241 . 16 1 1 A 128 128 ASP CB C 128 39.600 41.097 -1.497 1 1 1242 . 16 1 1 A 128 128 ASP N N 128 113.100 114.937 -1.837 1 1 1243 . 16 1 1 A 129 129 ARG H H 129 8.500 8.245 0.255 1 1 1244 . 16 1 1 A 129 129 ARG HA H 129 3.500 3.889 -0.389 1 1 1251 . 16 1 1 A 129 129 ARG CA C 129 57.600 57.064 0.536 1 1 1252 . 16 1 1 A 129 129 ARG CB C 129 26.900 26.855 0.045 1 1 1255 . 16 1 1 A 129 129 ARG N N 129 113.100 115.635 -2.535 1 1 1256 . 16 1 1 A 130 130 SER H H 130 8.050 8.049 0.001 1 1 1257 . 16 1 1 A 130 130 SER HA H 130 4.020 4.299 -0.279 1 1 1260 . 16 1 1 A 130 130 SER CA C 130 60.100 61.471 -1.371 1 1 1261 . 16 1 1 A 130 130 SER CB C 130 63.600 63.649 -0.049 1 1 1262 . 16 1 1 A 130 130 SER N N 130 111.100 113.569 -2.469 1 1 1263 . 16 1 1 A 131 131 GLU H H 131 7.060 7.638 -0.578 1 1 1264 . 16 1 1 A 131 131 GLU HA H 131 4.420 4.602 -0.182 1 1 1269 . 16 1 1 A 131 131 GLU CA C 131 54.400 55.205 -0.805 1 1 1270 . 16 1 1 A 131 131 GLU CB C 131 31.800 31.224 0.576 1 1 1272 . 16 1 1 A 131 131 GLU N N 131 114.400 114.731 -0.331 1 1 1273 . 16 1 1 A 132 132 PHE H H 132 8.740 8.660 0.080 1 1 1274 . 16 1 1 A 132 132 PHE HA H 132 5.390 5.368 0.022 1 1 1282 . 16 1 1 A 132 132 PHE CA C 132 57.200 56.476 0.724 1 1 1283 . 16 1 1 A 132 132 PHE CB C 132 42.900 41.993 0.907 1 1 1287 . 16 1 1 A 132 132 PHE N N 132 117.300 117.058 0.242 1 1 1288 . 16 1 1 A 133 133 HIS H H 133 9.870 9.065 0.805 1 1 1289 . 16 1 1 A 133 133 HIS HA H 133 5.380 5.914 -0.534 1 1 1294 . 16 1 1 A 133 133 HIS CA C 133 53.300 53.785 -0.485 1 1 1295 . 16 1 1 A 133 133 HIS CB C 133 32.700 32.651 0.049 1 1 1298 . 16 1 1 A 133 133 HIS N N 133 117.900 117.492 0.408 1 1 1299 . 16 1 1 A 134 134 ARG H H 134 9.080 8.898 0.182 1 1 1300 . 16 1 1 A 134 134 ARG HA H 134 3.500 4.066 -0.566 1 1 1307 . 16 1 1 A 134 134 ARG CA C 134 57.100 56.431 0.669 1 1 1308 . 16 1 1 A 134 134 ARG CB C 134 30.100 30.766 -0.666 1 1 1311 . 16 1 1 A 134 134 ARG N N 134 125.600 124.695 0.905 1 1 1312 . 16 1 1 A 135 135 GLU H H 135 8.410 8.205 0.205 1 1 1313 . 16 1 1 A 135 135 GLU HA H 135 4.550 5.049 -0.499 1 1 1318 . 16 1 1 A 135 135 GLU CA C 135 54.000 54.498 -0.498 1 1 1319 . 16 1 1 A 135 135 GLU CB C 135 33.000 33.674 -0.674 1 1 1321 . 16 1 1 A 135 135 GLU N N 135 128.500 125.917 2.583 1 1 1322 . 16 1 1 A 136 136 ASP H H 136 8.480 8.921 -0.441 1 1 1323 . 16 1 1 A 136 136 ASP HA H 136 4.460 4.850 -0.390 1 1 1326 . 16 1 1 A 136 136 ASP CA C 136 54.700 52.739 1.961 1 1 1327 . 16 1 1 A 136 136 ASP CB C 136 41.500 42.553 -1.053 1 1 1328 . 16 1 1 A 136 136 ASP N N 136 124.300 123.855 0.445 1 1 1329 . 16 1 1 A 137 137 ILE H H 137 8.340 8.460 -0.120 1 1 1330 . 16 1 1 A 137 137 ILE HA H 137 4.570 4.277 0.293 1 1 1340 . 16 1 1 A 137 137 ILE CA C 137 61.400 60.383 1.017 1 1 1341 . 16 1 1 A 137 137 ILE CB C 137 38.600 36.891 1.709 1 1 1345 . 16 1 1 A 137 137 ILE N N 137 121.100 123.700 -2.600 1 1 1346 . 16 1 1 A 138 138 VAL H H 138 8.730 8.967 -0.237 1 1 1347 . 16 1 1 A 138 138 VAL HA H 138 4.570 4.926 -0.356 1 1 1355 . 16 1 1 A 138 138 VAL CA C 138 59.800 59.166 0.634 1 1 1356 . 16 1 1 A 138 138 VAL CB C 138 34.700 34.668 0.032 1 1 1359 . 16 1 1 A 138 138 VAL N N 138 125.100 122.262 2.838 1 1 1360 . 16 1 1 A 139 139 ARG H H 139 8.390 8.408 -0.018 1 1 1361 . 16 1 1 A 139 139 ARG HA H 139 5.210 5.108 0.102 1 1 1368 . 16 1 1 A 139 139 ARG CA C 139 53.500 54.128 -0.628 1 1 1369 . 16 1 1 A 139 139 ARG CB C 139 30.100 29.555 0.545 1 1 1372 . 16 1 1 A 139 139 ARG N N 139 122.800 123.621 -0.821 1 1 1373 . 16 1 1 A 140 140 PRO HA H 140 4.380 4.401 -0.021 1 1 1380 . 16 1 1 A 140 140 PRO CA C 140 62.400 63.039 -0.639 1 1 1381 . 16 1 1 A 140 140 PRO CB C 140 32.000 31.701 0.299 1 1 1384 . 16 1 1 A 141 141 ASP H H 141 8.520 8.456 0.064 1 1 1385 . 16 1 1 A 141 141 ASP HA H 141 4.780 4.615 0.165 1 1 1388 . 16 1 1 A 141 141 ASP CA C 141 54.500 53.199 1.301 1 1 1389 . 16 1 1 A 141 141 ASP CB C 141 40.600 40.384 0.216 1 1 1390 . 16 1 1 A 141 141 ASP N N 141 122.200 122.423 -0.223 1 1 1391 . 16 1 1 A 142 142 PRO HA H 142 4.380 4.367 0.013 1 1 1398 . 16 1 1 A 142 142 PRO CA C 142 63.500 63.694 -0.194 1 1 1399 . 16 1 1 A 142 142 PRO CB C 142 32.000 31.547 0.453 1 1 1402 . 16 1 1 A 143 143 GLU H H 143 8.460 8.669 -0.209 1 1 1403 . 16 1 1 A 143 143 GLU HA H 143 4.260 3.789 0.471 1 1 1408 . 16 1 1 A 143 143 GLU CA C 143 56.000 57.437 -1.437 1 1 1409 . 16 1 1 A 143 143 GLU CB C 143 30.000 27.885 2.115 1 1 1411 . 16 1 1 A 143 143 GLU N N 143 119.500 112.654 6.846 1 1 1412 . 16 1 1 A 144 144 ALA H H 144 8.030 8.328 -0.298 1 1 1413 . 16 1 1 A 144 144 ALA HA H 144 4.590 4.516 0.074 1 1 1417 . 16 1 1 A 144 144 ALA CA C 144 50.300 50.022 0.278 1 1 1418 . 16 1 1 A 144 144 ALA CB C 144 18.300 19.616 -1.316 1 1 1419 . 16 1 1 A 144 144 ALA N N 144 125.800 121.212 4.588 1 1 1420 . 16 1 1 A 145 145 PRO HA H 145 4.400 4.708 -0.308 1 1 1427 . 16 1 1 A 145 145 PRO CA C 145 62.900 62.242 0.658 1 1 1428 . 16 1 1 A 145 145 PRO CB C 145 32.000 33.206 -1.206 1 1 1431 . 16 1 1 A 146 146 LEU H H 146 8.330 8.555 -0.225 1 1 1432 . 16 1 1 A 146 146 LEU HA H 146 4.230 4.423 -0.193 1 1 1442 . 16 1 1 A 146 146 LEU CA C 146 55.100 54.449 0.651 1 1 1443 . 16 1 1 A 146 146 LEU CB C 146 42.200 40.882 1.318 1 1 1447 . 16 1 1 A 146 146 LEU N N 146 122.100 121.261 0.839 1 1 1448 . 16 1 1 A 147 147 GLU H H 147 8.300 8.813 -0.513 1 1 1449 . 16 1 1 A 147 147 GLU HA H 147 4.220 4.051 0.169 1 1 1454 . 16 1 1 A 147 147 GLU CA C 147 56.200 59.407 -3.207 1 1 1455 . 16 1 1 A 147 147 GLU CB C 147 30.300 30.002 0.298 1 1 13 . 17 1 1 A 2 2 LYS H H 2 9.020 8.862 0.158 1 1 14 . 17 1 1 A 2 2 LYS HA H 2 5.640 5.425 0.215 1 1 23 . 17 1 1 A 2 2 LYS CA C 2 53.700 55.196 -1.496 1 1 24 . 17 1 1 A 2 2 LYS CB C 2 34.900 34.510 0.390 1 1 28 . 17 1 1 A 2 2 LYS N N 2 125.700 127.029 -1.329 1 1 29 . 17 1 1 A 3 3 THR H H 3 8.850 8.646 0.204 1 1 30 . 17 1 1 A 3 3 THR HA H 3 4.660 4.776 -0.116 1 1 36 . 17 1 1 A 3 3 THR CA C 3 61.600 60.364 1.236 1 1 37 . 17 1 1 A 3 3 THR CB C 3 68.200 70.164 -1.964 1 1 39 . 17 1 1 A 3 3 THR N N 3 117.000 116.103 0.897 1 1 40 . 17 1 1 A 4 4 THR H H 4 8.100 8.254 -0.154 1 1 41 . 17 1 1 A 4 4 THR HA H 4 4.790 4.962 -0.172 1 1 46 . 17 1 1 A 4 4 THR CA C 4 58.500 58.440 0.060 1 1 47 . 17 1 1 A 4 4 THR CB C 4 68.400 69.768 -1.368 1 1 49 . 17 1 1 A 4 4 THR N N 4 110.200 115.363 -5.163 1 1 50 . 17 1 1 A 5 5 PRO HA H 5 4.110 4.208 -0.098 1 1 57 . 17 1 1 A 5 5 PRO CA C 5 65.300 65.497 -0.197 1 1 58 . 17 1 1 A 5 5 PRO CB C 5 31.800 31.626 0.174 1 1 61 . 17 1 1 A 6 6 ASP H H 6 8.530 8.342 0.188 1 1 62 . 17 1 1 A 6 6 ASP HA H 6 4.350 4.399 -0.049 1 1 65 . 17 1 1 A 6 6 ASP CA C 6 56.300 57.046 -0.746 1 1 66 . 17 1 1 A 6 6 ASP CB C 6 39.500 41.513 -2.013 1 1 67 . 17 1 1 A 6 6 ASP N N 6 114.600 117.449 -2.849 1 1 68 . 17 1 1 A 7 7 ILE H H 7 7.270 7.449 -0.179 1 1 69 . 17 1 1 A 7 7 ILE HA H 7 3.620 3.651 -0.031 1 1 79 . 17 1 1 A 7 7 ILE CA C 7 61.900 65.000 -3.100 1 1 80 . 17 1 1 A 7 7 ILE CB C 7 34.900 37.880 -2.980 1 1 84 . 17 1 1 A 7 7 ILE N N 7 121.700 119.686 2.014 1 1 85 . 17 1 1 A 8 8 LEU H H 8 6.960 8.071 -1.111 1 1 86 . 17 1 1 A 8 8 LEU HA H 8 3.710 3.824 -0.114 1 1 96 . 17 1 1 A 8 8 LEU CA C 8 57.800 57.980 -0.180 1 1 97 . 17 1 1 A 8 8 LEU CB C 8 39.900 41.281 -1.381 1 1 101 . 17 1 1 A 8 8 LEU N N 8 117.200 119.761 -2.561 1 1 102 . 17 1 1 A 9 9 ASP H H 9 8.220 8.477 -0.257 1 1 103 . 17 1 1 A 9 9 ASP HA H 9 4.330 4.240 0.090 1 1 106 . 17 1 1 A 9 9 ASP CA C 9 57.600 57.920 -0.320 1 1 107 . 17 1 1 A 9 9 ASP CB C 9 40.100 41.134 -1.034 1 1 108 . 17 1 1 A 9 9 ASP N N 9 117.600 119.541 -1.941 1 1 109 . 17 1 1 A 10 10 GLN H H 10 7.630 7.875 -0.245 1 1 110 . 17 1 1 A 10 10 GLN HA H 10 3.850 4.058 -0.208 1 1 117 . 17 1 1 A 10 10 GLN CA C 10 59.200 58.576 0.624 1 1 118 . 17 1 1 A 10 10 GLN CB C 10 29.300 28.104 1.196 1 1 120 . 17 1 1 A 10 10 GLN N N 10 118.700 117.837 0.863 1 1 122 . 17 1 1 A 11 11 ILE H H 11 7.590 7.972 -0.382 1 1 123 . 17 1 1 A 11 11 ILE HA H 11 2.960 3.595 -0.635 1 1 133 . 17 1 1 A 11 11 ILE CA C 11 65.800 64.947 0.853 1 1 134 . 17 1 1 A 11 11 ILE CB C 11 37.500 37.456 0.044 1 1 138 . 17 1 1 A 11 11 ILE N N 11 121.700 121.165 0.535 1 1 139 . 17 1 1 A 12 12 ARG H H 12 7.720 8.148 -0.428 1 1 140 . 17 1 1 A 12 12 ARG HA H 12 3.610 4.071 -0.461 1 1 147 . 17 1 1 A 12 12 ARG CA C 12 61.300 58.785 2.515 1 1 148 . 17 1 1 A 12 12 ARG CB C 12 30.100 29.749 0.351 1 1 151 . 17 1 1 A 12 12 ARG N N 12 118.400 120.855 -2.455 1 1 152 . 17 1 1 A 13 13 VAL H H 13 8.480 8.019 0.461 1 1 153 . 17 1 1 A 13 13 VAL HA H 13 3.640 3.598 0.042 1 1 161 . 17 1 1 A 13 13 VAL CA C 13 66.400 66.567 -0.167 1 1 162 . 17 1 1 A 13 13 VAL CB C 13 31.600 31.720 -0.120 1 1 165 . 17 1 1 A 13 13 VAL N N 13 118.400 120.860 -2.460 1 1 166 . 17 1 1 A 14 14 HIS H H 14 7.790 7.890 -0.100 1 1 167 . 17 1 1 A 14 14 HIS HA H 14 4.620 4.285 0.335 1 1 172 . 17 1 1 A 14 14 HIS CA C 14 57.500 59.099 -1.599 1 1 173 . 17 1 1 A 14 14 HIS CB C 14 31.100 29.674 1.426 1 1 176 . 17 1 1 A 14 14 HIS N N 14 119.600 118.770 0.830 1 1 177 . 17 1 1 A 15 15 GLY H H 15 8.290 8.318 -0.028 1 1 178 . 17 1 1 A 15 15 GLY HA2 H 15 3.400 3.835 -0.435 1 1 179 . 17 1 1 A 15 15 GLY HA3 H 15 3.620 3.839 -0.219 1 1 180 . 17 1 1 A 15 15 GLY CA C 15 47.800 47.335 0.465 1 1 181 . 17 1 1 A 15 15 GLY N N 15 104.200 106.077 -1.877 1 1 182 . 17 1 1 A 16 16 ALA H H 16 8.650 7.867 0.783 1 1 183 . 17 1 1 A 16 16 ALA HA H 16 3.940 3.995 -0.055 1 1 187 . 17 1 1 A 16 16 ALA CA C 16 55.500 54.500 1.000 1 1 188 . 17 1 1 A 16 16 ALA CB C 16 18.600 18.275 0.325 1 1 189 . 17 1 1 A 16 16 ALA N N 16 125.700 124.884 0.816 1 1 190 . 17 1 1 A 17 17 ASP H H 17 9.020 8.288 0.732 1 1 191 . 17 1 1 A 17 17 ASP HA H 17 4.420 4.349 0.071 1 1 194 . 17 1 1 A 17 17 ASP CA C 17 56.700 57.152 -0.452 1 1 195 . 17 1 1 A 17 17 ASP CB C 17 41.300 41.196 0.104 1 1 196 . 17 1 1 A 17 17 ASP N N 17 119.300 119.401 -0.101 1 1 197 . 17 1 1 A 18 18 ALA H H 18 8.210 7.485 0.725 1 1 198 . 17 1 1 A 18 18 ALA HA H 18 4.180 4.445 -0.265 1 1 202 . 17 1 1 A 18 18 ALA CA C 18 53.100 51.064 2.036 1 1 203 . 17 1 1 A 18 18 ALA CB C 18 19.000 18.737 0.263 1 1 204 . 17 1 1 A 18 18 ALA N N 18 118.300 118.329 -0.029 1 1 205 . 17 1 1 A 19 19 TYR H H 19 7.080 7.872 -0.792 1 1 206 . 17 1 1 A 19 19 TYR HA H 19 4.190 4.785 -0.595 1 1 213 . 17 1 1 A 19 19 TYR CA C 19 58.300 56.823 1.477 1 1 214 . 17 1 1 A 19 19 TYR CB C 19 39.100 39.946 -0.846 1 1 217 . 17 1 1 A 19 19 TYR N N 19 118.200 121.314 -3.114 1 1 218 . 17 1 1 A 20 20 PRO HA H 20 2.690 3.252 -0.562 1 1 225 . 17 1 1 A 20 20 PRO CA C 20 63.300 63.364 -0.064 1 1 226 . 17 1 1 A 20 20 PRO CB C 20 33.500 31.304 2.196 1 1 229 . 17 1 1 A 21 21 GLU H H 21 8.660 7.507 1.153 1 1 230 . 17 1 1 A 21 21 GLU HA H 21 4.420 4.675 -0.255 1 1 235 . 17 1 1 A 21 21 GLU CA C 21 55.300 55.362 -0.062 1 1 236 . 17 1 1 A 21 21 GLU CB C 21 30.400 32.325 -1.925 1 1 238 . 17 1 1 A 21 21 GLU N N 21 124.800 113.777 11.023 1 1 239 . 17 1 1 A 22 22 GLU H H 22 8.290 9.063 -0.773 1 1 240 . 17 1 1 A 22 22 GLU HA H 22 3.990 4.540 -0.550 1 1 245 . 17 1 1 A 22 22 GLU CA C 22 56.400 56.067 0.333 1 1 246 . 17 1 1 A 22 22 GLU CB C 22 30.900 31.695 -0.795 1 1 248 . 17 1 1 A 22 22 GLU N N 22 119.700 123.296 -3.596 1 1 249 . 17 1 1 A 23 23 GLY H H 23 8.770 7.853 0.917 1 1 250 . 17 1 1 A 23 23 GLY HA2 H 23 2.430 4.256 -1.826 1 1 251 . 17 1 1 A 23 23 GLY HA3 H 23 4.270 4.381 -0.111 1 1 252 . 17 1 1 A 23 23 GLY CA C 23 42.900 45.830 -2.930 1 1 253 . 17 1 1 A 23 23 GLY N N 23 112.400 107.031 5.369 1 1 254 . 17 1 1 A 24 24 CYS H H 24 8.580 7.809 0.771 1 1 255 . 17 1 1 A 24 24 CYS HA H 24 4.630 4.543 0.087 1 1 258 . 17 1 1 A 24 24 CYS CA C 24 54.900 58.638 -3.738 1 1 259 . 17 1 1 A 24 24 CYS CB C 24 31.300 29.530 1.770 1 1 260 . 17 1 1 A 24 24 CYS N N 24 118.100 118.177 -0.077 1 1 261 . 17 1 1 A 25 25 GLY H H 25 6.730 7.150 -0.420 1 1 262 . 17 1 1 A 25 25 GLY HA2 H 25 3.650 3.767 -0.117 1 1 263 . 17 1 1 A 25 25 GLY HA3 H 25 4.030 3.876 0.154 1 1 264 . 17 1 1 A 25 25 GLY CA C 25 45.900 45.361 0.539 1 1 265 . 17 1 1 A 25 25 GLY N N 25 104.600 106.604 -2.004 1 1 266 . 17 1 1 A 26 26 PHE H H 26 9.350 8.035 1.315 1 1 267 . 17 1 1 A 26 26 PHE HA H 26 5.130 5.161 -0.031 1 1 275 . 17 1 1 A 26 26 PHE CA C 26 56.900 56.826 0.074 1 1 276 . 17 1 1 A 26 26 PHE CB C 26 43.300 42.738 0.562 1 1 280 . 17 1 1 A 26 26 PHE N N 26 114.900 119.500 -4.600 1 1 281 . 17 1 1 A 27 27 LEU H H 27 8.320 9.598 -1.278 1 1 282 . 17 1 1 A 27 27 LEU HA H 27 4.590 5.154 -0.564 1 1 292 . 17 1 1 A 27 27 LEU CA C 27 52.900 53.717 -0.817 1 1 293 . 17 1 1 A 27 27 LEU CB C 27 41.200 42.930 -1.730 1 1 297 . 17 1 1 A 27 27 LEU N N 27 119.100 122.521 -3.421 1 1 298 . 17 1 1 A 28 28 LEU H H 28 9.050 9.072 -0.022 1 1 299 . 17 1 1 A 28 28 LEU HA H 28 5.390 5.208 0.182 1 1 309 . 17 1 1 A 28 28 LEU CA C 28 51.900 53.136 -1.236 1 1 310 . 17 1 1 A 28 28 LEU CB C 28 42.900 43.698 -0.798 1 1 314 . 17 1 1 A 28 28 LEU N N 28 123.500 124.877 -1.377 1 1 315 . 17 1 1 A 29 29 GLY H H 29 9.950 8.292 1.658 1 1 316 . 17 1 1 A 29 29 GLY HA2 H 29 5.270 4.312 0.958 1 1 317 . 17 1 1 A 29 29 GLY HA3 H 29 3.900 4.312 -0.412 1 1 318 . 17 1 1 A 29 29 GLY CA C 29 46.700 46.152 0.548 1 1 319 . 17 1 1 A 29 29 GLY N N 29 112.400 110.077 2.323 1 1 320 . 17 1 1 A 30 30 THR H H 30 8.810 8.142 0.668 1 1 321 . 17 1 1 A 30 30 THR HA H 30 4.810 5.334 -0.524 1 1 326 . 17 1 1 A 30 30 THR CA C 30 59.900 59.803 0.097 1 1 327 . 17 1 1 A 30 30 THR CB C 30 72.200 72.225 -0.025 1 1 329 . 17 1 1 A 30 30 THR N N 30 116.000 113.983 2.017 1 1 330 . 17 1 1 A 31 31 VAL H H 31 8.530 8.967 -0.437 1 1 331 . 17 1 1 A 31 31 VAL HA H 31 4.830 4.226 0.604 1 1 339 . 17 1 1 A 31 31 VAL CA C 31 61.900 62.848 -0.948 1 1 340 . 17 1 1 A 31 31 VAL CB C 31 32.200 31.090 1.110 1 1 343 . 17 1 1 A 31 31 VAL N N 31 124.200 122.997 1.203 1 1 344 . 17 1 1 A 32 32 THR H H 32 9.040 8.742 0.298 1 1 345 . 17 1 1 A 32 32 THR HA H 32 4.580 4.238 0.342 1 1 350 . 17 1 1 A 32 32 THR CA C 32 61.200 65.128 -3.928 1 1 351 . 17 1 1 A 32 32 THR CB C 32 70.700 69.428 1.272 1 1 353 . 17 1 1 A 32 32 THR N N 32 118.900 123.545 -4.645 1 1 354 . 17 1 1 A 33 33 ASP H H 33 8.980 7.465 1.515 1 1 355 . 17 1 1 A 33 33 ASP HA H 33 4.400 4.584 -0.184 1 1 358 . 17 1 1 A 33 33 ASP CA C 33 56.800 54.067 2.733 1 1 359 . 17 1 1 A 33 33 ASP CB C 33 40.100 40.936 -0.836 1 1 360 . 17 1 1 A 33 33 ASP N N 33 121.100 119.442 1.658 1 1 361 . 17 1 1 A 34 34 ASP H H 34 7.960 8.277 -0.317 1 1 362 . 17 1 1 A 34 34 ASP HA H 34 4.640 4.282 0.358 1 1 365 . 17 1 1 A 34 34 ASP CA C 34 53.500 55.584 -2.084 1 1 366 . 17 1 1 A 34 34 ASP CB C 34 40.400 40.470 -0.070 1 1 367 . 17 1 1 A 34 34 ASP N N 34 115.400 118.152 -2.752 1 1 368 . 17 1 1 A 35 35 GLY H H 35 8.080 8.195 -0.115 1 1 369 . 17 1 1 A 35 35 GLY HA2 H 35 3.590 4.074 -0.484 1 1 370 . 17 1 1 A 35 35 GLY HA3 H 35 4.200 4.074 0.126 1 1 371 . 17 1 1 A 35 35 GLY CA C 35 45.400 45.455 -0.055 1 1 372 . 17 1 1 A 35 35 GLY N N 35 108.400 106.972 1.428 1 1 373 . 17 1 1 A 36 36 ASP H H 36 7.690 8.043 -0.353 1 1 374 . 17 1 1 A 36 36 ASP HA H 36 4.790 5.211 -0.421 1 1 377 . 17 1 1 A 36 36 ASP CA C 36 51.900 52.776 -0.876 1 1 378 . 17 1 1 A 36 36 ASP CB C 36 42.300 44.450 -2.150 1 1 379 . 17 1 1 A 36 36 ASP N N 36 120.100 120.008 0.092 1 1 380 . 17 1 1 A 37 37 ASN H H 37 8.920 8.628 0.292 1 1 381 . 17 1 1 A 37 37 ASN HA H 37 5.180 5.340 -0.160 1 1 386 . 17 1 1 A 37 37 ASN CA C 37 52.900 52.227 0.673 1 1 387 . 17 1 1 A 37 37 ASN CB C 37 38.800 39.867 -1.067 1 1 388 . 17 1 1 A 37 37 ASN N N 37 119.000 121.099 -2.099 1 1 390 . 17 1 1 A 38 38 ARG H H 38 9.480 9.551 -0.071 1 1 391 . 17 1 1 A 38 38 ARG HA H 38 5.310 5.219 0.091 1 1 398 . 17 1 1 A 38 38 ARG CA C 38 53.500 54.547 -1.047 1 1 399 . 17 1 1 A 38 38 ARG CB C 38 31.000 33.653 -2.653 1 1 402 . 17 1 1 A 38 38 ARG N N 38 126.900 120.489 6.411 1 1 403 . 17 1 1 A 39 39 VAL H H 39 8.810 9.061 -0.251 1 1 404 . 17 1 1 A 39 39 VAL HA H 39 4.150 4.341 -0.191 1 1 412 . 17 1 1 A 39 39 VAL CA C 39 62.800 62.045 0.755 1 1 413 . 17 1 1 A 39 39 VAL CB C 39 33.100 32.974 0.126 1 1 416 . 17 1 1 A 39 39 VAL N N 39 125.700 122.873 2.827 1 1 417 . 17 1 1 A 40 40 ALA H H 40 9.680 8.517 1.163 1 1 418 . 17 1 1 A 40 40 ALA HA H 40 4.690 4.573 0.117 1 1 422 . 17 1 1 A 40 40 ALA CA C 40 51.300 52.705 -1.405 1 1 423 . 17 1 1 A 40 40 ALA CB C 40 22.700 21.268 1.432 1 1 424 . 17 1 1 A 40 40 ALA N N 40 102.300 129.272 -26.972 1 1 425 . 17 1 1 A 41 41 ALA H H 41 8.370 8.026 0.344 1 1 426 . 17 1 1 A 41 41 ALA HA H 41 4.530 4.889 -0.359 1 1 430 . 17 1 1 A 41 41 ALA CA C 41 51.700 50.293 1.407 1 1 431 . 17 1 1 A 41 41 ALA CB C 41 22.200 21.957 0.243 1 1 432 . 17 1 1 A 41 41 ALA N N 41 120.200 118.897 1.303 1 1 433 . 17 1 1 A 42 42 LEU H H 42 8.690 8.838 -0.148 1 1 434 . 17 1 1 A 42 42 LEU HA H 42 5.320 5.285 0.035 1 1 444 . 17 1 1 A 42 42 LEU CA C 42 53.500 53.775 -0.275 1 1 445 . 17 1 1 A 42 42 LEU CB C 42 46.300 44.517 1.783 1 1 449 . 17 1 1 A 42 42 LEU N N 42 118.300 122.907 -4.607 1 1 450 . 17 1 1 A 43 43 HIS H H 43 8.820 8.736 0.084 1 1 451 . 17 1 1 A 43 43 HIS HA H 43 4.870 5.054 -0.184 1 1 456 . 17 1 1 A 43 43 HIS CA C 43 56.300 54.958 1.342 1 1 457 . 17 1 1 A 43 43 HIS CB C 43 34.200 33.694 0.506 1 1 460 . 17 1 1 A 43 43 HIS N N 43 120.700 121.027 -0.327 1 1 461 . 17 1 1 A 44 44 ARG H H 44 8.580 8.567 0.013 1 1 462 . 17 1 1 A 44 44 ARG HA H 44 4.420 4.811 -0.391 1 1 469 . 17 1 1 A 44 44 ARG CA C 44 57.400 54.793 2.607 1 1 470 . 17 1 1 A 44 44 ARG CB C 44 31.100 32.125 -1.025 1 1 473 . 17 1 1 A 44 44 ARG N N 44 128.300 121.727 6.573 1 1 474 . 17 1 1 A 45 45 ALA H H 45 8.580 8.994 -0.414 1 1 475 . 17 1 1 A 45 45 ALA HA H 45 4.720 4.465 0.255 1 1 479 . 17 1 1 A 45 45 ALA CA C 45 51.500 52.744 -1.244 1 1 480 . 17 1 1 A 45 45 ALA CB C 45 20.200 18.896 1.304 1 1 481 . 17 1 1 A 45 45 ALA N N 45 125.700 126.196 -0.496 1 1 482 . 17 1 1 A 46 46 THR H H 46 8.250 8.650 -0.400 1 1 483 . 17 1 1 A 46 46 THR HA H 46 4.270 4.978 -0.708 1 1 488 . 17 1 1 A 46 46 THR CA C 46 62.000 60.858 1.142 1 1 489 . 17 1 1 A 46 46 THR CB C 46 69.900 69.982 -0.082 1 1 491 . 17 1 1 A 46 46 THR N N 46 115.500 116.586 -1.086 1 1 492 . 17 1 1 A 47 47 ASN H H 47 8.590 8.854 -0.264 1 1 493 . 17 1 1 A 47 47 ASN HA H 47 4.620 4.963 -0.343 1 1 498 . 17 1 1 A 47 47 ASN CA C 47 53.400 54.626 -1.226 1 1 499 . 17 1 1 A 47 47 ASN CB C 47 38.400 40.908 -2.508 1 1 500 . 17 1 1 A 47 47 ASN N N 47 122.400 123.711 -1.311 1 1 502 . 17 1 1 A 50 50 SER H H 50 8.480 8.432 0.048 1 1 503 . 17 1 1 A 50 50 SER HA H 50 4.400 4.128 0.272 1 1 506 . 17 1 1 A 50 50 SER CA C 50 58.900 59.163 -0.263 1 1 507 . 17 1 1 A 50 50 SER CB C 50 63.600 62.256 1.344 1 1 508 . 17 1 1 A 50 50 SER N N 50 116.600 114.119 2.481 1 1 509 . 17 1 1 A 51 51 GLU H H 51 8.510 7.992 0.518 1 1 510 . 17 1 1 A 51 51 GLU HA H 51 4.300 3.895 0.405 1 1 515 . 17 1 1 A 51 51 GLU CA C 51 56.800 59.581 -2.781 1 1 516 . 17 1 1 A 51 51 GLU CB C 51 29.900 29.808 0.092 1 1 518 . 17 1 1 A 51 51 GLU N N 51 121.800 120.884 0.916 1 1 519 . 17 1 1 A 52 52 GLN H H 52 8.300 7.692 0.608 1 1 520 . 17 1 1 A 52 52 GLN HA H 52 4.310 4.839 -0.529 1 1 527 . 17 1 1 A 52 52 GLN CA C 52 55.900 55.018 0.882 1 1 528 . 17 1 1 A 52 52 GLN CB C 52 29.000 30.459 -1.459 1 1 530 . 17 1 1 A 52 52 GLN N N 52 119.500 115.628 3.872 1 1 532 . 17 1 1 A 53 53 ARG H H 53 8.350 8.546 -0.196 1 1 533 . 17 1 1 A 53 53 ARG HA H 53 4.310 4.664 -0.354 1 1 540 . 17 1 1 A 53 53 ARG CA C 53 56.800 55.365 1.435 1 1 541 . 17 1 1 A 53 53 ARG CB C 53 30.700 33.521 -2.821 1 1 544 . 17 1 1 A 53 53 ARG N N 53 121.000 122.819 -1.819 1 1 545 . 17 1 1 A 54 54 THR H H 54 8.140 8.722 -0.582 1 1 546 . 17 1 1 A 54 54 THR HA H 54 4.340 4.133 0.207 1 1 551 . 17 1 1 A 54 54 THR CA C 54 61.900 65.865 -3.965 1 1 552 . 17 1 1 A 54 54 THR CB C 54 69.600 69.341 0.259 1 1 554 . 17 1 1 A 54 54 THR N N 54 113.100 119.303 -6.203 1 1 555 . 17 1 1 A 64 64 TYR H H 64 8.220 8.431 -0.211 1 1 556 . 17 1 1 A 64 64 TYR HA H 64 3.360 3.433 -0.073 1 1 563 . 17 1 1 A 64 64 TYR CA C 64 61.600 61.580 0.020 1 1 564 . 17 1 1 A 64 64 TYR CB C 64 37.700 38.711 -1.011 1 1 567 . 17 1 1 A 64 64 TYR N N 64 120.700 122.500 -1.800 1 1 568 . 17 1 1 A 65 65 ARG H H 65 8.340 8.037 0.303 1 1 569 . 17 1 1 A 65 65 ARG HA H 65 3.930 4.051 -0.121 1 1 576 . 17 1 1 A 65 65 ARG CA C 65 59.600 59.586 0.014 1 1 577 . 17 1 1 A 65 65 ARG CB C 65 30.100 29.857 0.243 1 1 580 . 17 1 1 A 65 65 ARG N N 65 119.200 118.669 0.531 1 1 581 . 17 1 1 A 66 66 ALA H H 66 7.790 7.528 0.262 1 1 582 . 17 1 1 A 66 66 ALA HA H 66 4.090 4.159 -0.069 1 1 586 . 17 1 1 A 66 66 ALA CA C 66 54.700 54.936 -0.236 1 1 587 . 17 1 1 A 66 66 ALA CB C 66 18.100 18.092 0.008 1 1 588 . 17 1 1 A 66 66 ALA N N 66 121.900 122.249 -0.349 1 1 589 . 17 1 1 A 67 67 ALA H H 67 7.550 7.492 0.058 1 1 590 . 17 1 1 A 67 67 ALA HA H 67 2.940 3.997 -1.057 1 1 594 . 17 1 1 A 67 67 ALA CA C 67 54.300 54.941 -0.641 1 1 595 . 17 1 1 A 67 67 ALA CB C 67 18.000 18.202 -0.202 1 1 596 . 17 1 1 A 67 67 ALA N N 67 123.000 120.079 2.921 1 1 597 . 17 1 1 A 68 68 ASP H H 68 8.320 8.257 0.063 1 1 598 . 17 1 1 A 68 68 ASP HA H 68 4.100 4.188 -0.088 1 1 601 . 17 1 1 A 68 68 ASP CA C 68 56.800 56.881 -0.081 1 1 602 . 17 1 1 A 68 68 ASP CB C 68 41.400 40.923 0.477 1 1 603 . 17 1 1 A 68 68 ASP N N 68 118.100 118.554 -0.454 1 1 604 . 17 1 1 A 69 69 ALA H H 69 7.790 8.670 -0.880 1 1 605 . 17 1 1 A 69 69 ALA HA H 69 4.010 4.056 -0.046 1 1 609 . 17 1 1 A 69 69 ALA CA C 69 55.000 55.108 -0.108 1 1 610 . 17 1 1 A 69 69 ALA CB C 69 17.600 17.929 -0.329 1 1 611 . 17 1 1 A 69 69 ALA N N 69 121.200 120.745 0.455 1 1 612 . 17 1 1 A 70 70 ALA H H 70 7.490 7.912 -0.422 1 1 613 . 17 1 1 A 70 70 ALA HA H 70 4.070 3.919 0.151 1 1 617 . 17 1 1 A 70 70 ALA CA C 70 54.500 54.853 -0.353 1 1 618 . 17 1 1 A 70 70 ALA CB C 70 17.900 17.960 -0.060 1 1 619 . 17 1 1 A 70 70 ALA N N 70 121.200 119.561 1.639 1 1 620 . 17 1 1 A 71 71 ALA H H 71 8.620 8.088 0.532 1 1 621 . 17 1 1 A 71 71 ALA HA H 71 3.660 3.908 -0.248 1 1 625 . 17 1 1 A 71 71 ALA CA C 71 55.300 55.318 -0.018 1 1 626 . 17 1 1 A 71 71 ALA CB C 71 17.800 18.055 -0.255 1 1 627 . 17 1 1 A 71 71 ALA N N 71 121.600 120.447 1.153 1 1 628 . 17 1 1 A 72 72 GLN H H 72 8.700 8.256 0.444 1 1 629 . 17 1 1 A 72 72 GLN HA H 72 4.080 4.039 0.041 1 1 636 . 17 1 1 A 72 72 GLN CA C 72 59.000 58.566 0.434 1 1 637 . 17 1 1 A 72 72 GLN CB C 72 28.000 28.373 -0.373 1 1 639 . 17 1 1 A 72 72 GLN N N 72 118.600 116.984 1.616 1 1 641 . 17 1 1 A 73 73 GLU H H 73 7.640 8.359 -0.719 1 1 642 . 17 1 1 A 73 73 GLU HA H 73 4.080 4.075 0.005 1 1 647 . 17 1 1 A 73 73 GLU CA C 73 58.800 59.101 -0.301 1 1 648 . 17 1 1 A 73 73 GLU CB C 73 29.600 29.311 0.289 1 1 650 . 17 1 1 A 73 73 GLU N N 73 119.000 121.041 -2.041 1 1 651 . 17 1 1 A 74 74 GLN H H 74 7.400 7.902 -0.502 1 1 652 . 17 1 1 A 74 74 GLN HA H 74 4.470 4.326 0.144 1 1 659 . 17 1 1 A 74 74 GLN CA C 74 55.000 55.658 -0.658 1 1 660 . 17 1 1 A 74 74 GLN CB C 74 30.900 29.326 1.574 1 1 662 . 17 1 1 A 74 74 GLN N N 74 114.600 116.645 -2.045 1 1 664 . 17 1 1 A 75 75 GLY H H 75 7.830 8.561 -0.731 1 1 665 . 17 1 1 A 75 75 GLY HA2 H 75 3.950 3.889 0.061 1 1 666 . 17 1 1 A 75 75 GLY HA3 H 75 3.870 3.892 -0.022 1 1 667 . 17 1 1 A 75 75 GLY CA C 75 46.500 45.893 0.607 1 1 668 . 17 1 1 A 75 75 GLY N N 75 109.300 108.976 0.324 1 1 669 . 17 1 1 A 76 76 LEU H H 76 8.110 8.286 -0.176 1 1 670 . 17 1 1 A 76 76 LEU HA H 76 4.650 4.927 -0.277 1 1 680 . 17 1 1 A 76 76 LEU CA C 76 52.500 53.085 -0.585 1 1 681 . 17 1 1 A 76 76 LEU CB C 76 45.700 45.327 0.373 1 1 685 . 17 1 1 A 76 76 LEU N N 76 119.300 120.092 -0.792 1 1 686 . 17 1 1 A 77 77 ASP H H 77 8.990 9.393 -0.403 1 1 687 . 17 1 1 A 77 77 ASP HA H 77 5.120 5.115 0.005 1 1 690 . 17 1 1 A 77 77 ASP CA C 77 52.600 52.414 0.186 1 1 691 . 17 1 1 A 77 77 ASP CB C 77 44.600 44.323 0.277 1 1 692 . 17 1 1 A 77 77 ASP N N 77 117.600 117.752 -0.152 1 1 693 . 17 1 1 A 78 78 VAL H H 78 9.070 8.853 0.217 1 1 694 . 17 1 1 A 78 78 VAL HA H 78 4.090 4.165 -0.075 1 1 702 . 17 1 1 A 78 78 VAL CA C 78 63.900 62.756 1.144 1 1 703 . 17 1 1 A 78 78 VAL CB C 78 30.900 31.024 -0.124 1 1 706 . 17 1 1 A 78 78 VAL N N 78 121.900 120.974 0.926 1 1 707 . 17 1 1 A 79 79 VAL H H 79 8.360 8.809 -0.449 1 1 708 . 17 1 1 A 79 79 VAL HA H 79 4.300 4.193 0.107 1 1 716 . 17 1 1 A 79 79 VAL CA C 79 59.500 62.166 -2.666 1 1 717 . 17 1 1 A 79 79 VAL CB C 79 32.600 32.547 0.053 1 1 720 . 17 1 1 A 79 79 VAL N N 79 116.700 121.964 -5.264 1 1 721 . 17 1 1 A 80 80 GLY H H 80 6.970 7.040 -0.070 1 1 722 . 17 1 1 A 80 80 GLY HA2 H 80 4.380 4.123 0.257 1 1 723 . 17 1 1 A 80 80 GLY HA3 H 80 3.550 4.289 -0.739 1 1 724 . 17 1 1 A 80 80 GLY CA C 80 46.900 45.993 0.907 1 1 725 . 17 1 1 A 80 80 GLY N N 80 106.200 108.692 -2.492 1 1 726 . 17 1 1 A 81 81 VAL H H 81 8.510 8.419 0.091 1 1 727 . 17 1 1 A 81 81 VAL HA H 81 4.900 4.962 -0.062 1 1 735 . 17 1 1 A 81 81 VAL CA C 81 59.400 60.392 -0.992 1 1 736 . 17 1 1 A 81 81 VAL CB C 81 37.600 35.606 1.994 1 1 739 . 17 1 1 A 81 81 VAL N N 81 116.200 119.216 -3.016 1 1 740 . 17 1 1 A 82 82 TYR H H 82 8.370 8.580 -0.210 1 1 741 . 17 1 1 A 82 82 TYR HA H 82 6.000 6.204 -0.204 1 1 748 . 17 1 1 A 82 82 TYR CA C 82 54.900 55.294 -0.394 1 1 749 . 17 1 1 A 82 82 TYR CB C 82 42.800 42.219 0.581 1 1 752 . 17 1 1 A 82 82 TYR N N 82 118.100 121.445 -3.345 1 1 753 . 17 1 1 A 83 83 HIS H H 83 8.520 9.555 -1.035 1 1 754 . 17 1 1 A 83 83 HIS HA H 83 5.150 5.248 -0.098 1 1 759 . 17 1 1 A 83 83 HIS CA C 83 54.900 54.487 0.413 1 1 760 . 17 1 1 A 83 83 HIS CB C 83 33.200 33.199 0.001 1 1 763 . 17 1 1 A 83 83 HIS N N 83 115.400 120.495 -5.095 1 1 764 . 17 1 1 A 84 84 SER H H 84 9.060 9.116 -0.056 1 1 765 . 17 1 1 A 84 84 SER HA H 84 5.590 5.598 -0.008 1 1 768 . 17 1 1 A 84 84 SER CA C 84 55.800 56.864 -1.064 1 1 769 . 17 1 1 A 84 84 SER CB C 84 65.500 65.106 0.394 1 1 770 . 17 1 1 A 84 84 SER N N 84 117.100 115.641 1.459 1 1 771 . 17 1 1 A 85 85 HIS H H 85 8.980 8.863 0.117 1 1 772 . 17 1 1 A 85 85 HIS HA H 85 4.830 4.984 -0.154 1 1 777 . 17 1 1 A 85 85 HIS CA C 85 50.400 53.824 -3.424 1 1 778 . 17 1 1 A 85 85 HIS CB C 85 32.000 32.526 -0.526 1 1 781 . 17 1 1 A 85 85 HIS N N 85 117.600 121.377 -3.777 1 1 782 . 17 1 1 A 86 86 PRO HA H 86 5.080 4.906 0.174 1 1 789 . 17 1 1 A 86 86 PRO CA C 86 62.400 62.412 -0.012 1 1 790 . 17 1 1 A 86 86 PRO CB C 86 32.400 33.103 -0.703 1 1 793 . 17 1 1 A 87 87 ASP H H 87 10.300 8.670 1.630 1 1 794 . 17 1 1 A 87 87 ASP HA H 87 4.320 4.392 -0.072 1 1 797 . 17 1 1 A 87 87 ASP CA C 87 56.600 54.715 1.885 1 1 798 . 17 1 1 A 87 87 ASP CB C 87 39.600 41.142 -1.542 1 1 799 . 17 1 1 A 87 87 ASP N N 87 123.100 122.004 1.096 1 1 800 . 17 1 1 A 88 88 HIS H H 88 7.500 8.530 -1.030 1 1 801 . 17 1 1 A 88 88 HIS HA H 88 5.050 4.636 0.414 1 1 806 . 17 1 1 A 88 88 HIS CA C 88 54.700 57.123 -2.423 1 1 807 . 17 1 1 A 88 88 HIS CB C 88 32.400 28.626 3.774 1 1 810 . 17 1 1 A 88 88 HIS N N 88 115.000 118.359 -3.359 1 1 811 . 17 1 1 A 89 89 PRO HA H 89 4.370 4.438 -0.068 1 1 818 . 17 1 1 A 89 89 PRO CA C 89 62.700 62.816 -0.116 1 1 819 . 17 1 1 A 89 89 PRO CB C 89 31.600 31.853 -0.253 1 1 822 . 17 1 1 A 90 90 ALA H H 90 8.020 8.637 -0.617 1 1 823 . 17 1 1 A 90 90 ALA HA H 90 4.290 4.584 -0.294 1 1 827 . 17 1 1 A 90 90 ALA CA C 90 50.800 51.740 -0.940 1 1 828 . 17 1 1 A 90 90 ALA CB C 90 16.600 19.132 -2.532 1 1 829 . 17 1 1 A 90 90 ALA N N 90 125.800 126.288 -0.488 1 1 830 . 17 1 1 A 91 91 ARG H H 91 7.990 8.668 -0.678 1 1 831 . 17 1 1 A 91 91 ARG HA H 91 4.300 4.761 -0.461 1 1 838 . 17 1 1 A 91 91 ARG CA C 91 53.100 52.412 0.688 1 1 839 . 17 1 1 A 91 91 ARG CB C 91 31.800 31.343 0.457 1 1 842 . 17 1 1 A 91 91 ARG N N 91 121.900 124.104 -2.204 1 1 843 . 17 1 1 A 92 92 PRO HA H 92 4.070 4.166 -0.096 1 1 850 . 17 1 1 A 92 92 PRO CA C 92 62.300 62.861 -0.561 1 1 851 . 17 1 1 A 92 92 PRO CB C 92 32.500 31.330 1.170 1 1 854 . 17 1 1 A 93 93 SER H H 93 9.960 8.705 1.255 1 1 855 . 17 1 1 A 93 93 SER HA H 93 4.630 4.684 -0.054 1 1 858 . 17 1 1 A 93 93 SER CA C 93 56.300 58.074 -1.774 1 1 859 . 17 1 1 A 93 93 SER CB C 93 66.500 64.511 1.989 1 1 860 . 17 1 1 A 93 93 SER N N 93 121.800 117.840 3.960 1 1 861 . 17 1 1 A 94 94 ALA H H 94 8.880 9.020 -0.140 1 1 862 . 17 1 1 A 94 94 ALA HA H 94 4.130 4.033 0.097 1 1 866 . 17 1 1 A 94 94 ALA CA C 94 55.400 55.593 -0.193 1 1 867 . 17 1 1 A 94 94 ALA CB C 94 18.000 18.087 -0.087 1 1 868 . 17 1 1 A 94 94 ALA N N 94 123.100 124.841 -1.741 1 1 869 . 17 1 1 A 95 95 THR H H 95 7.870 8.008 -0.138 1 1 870 . 17 1 1 A 95 95 THR HA H 95 3.920 4.290 -0.370 1 1 875 . 17 1 1 A 95 95 THR CA C 95 65.700 66.685 -0.985 1 1 876 . 17 1 1 A 95 95 THR CB C 95 68.400 68.116 0.284 1 1 878 . 17 1 1 A 95 95 THR N N 95 114.300 114.798 -0.498 1 1 879 . 17 1 1 A 96 96 ASP H H 96 7.420 8.182 -0.762 1 1 880 . 17 1 1 A 96 96 ASP HA H 96 4.230 4.618 -0.388 1 1 883 . 17 1 1 A 96 96 ASP CA C 96 57.400 57.486 -0.086 1 1 884 . 17 1 1 A 96 96 ASP CB C 96 40.100 40.688 -0.588 1 1 885 . 17 1 1 A 96 96 ASP N N 96 121.000 121.367 -0.367 1 1 886 . 17 1 1 A 97 97 LEU H H 97 7.490 7.741 -0.251 1 1 887 . 17 1 1 A 97 97 LEU HA H 97 4.000 4.134 -0.134 1 1 897 . 17 1 1 A 97 97 LEU CA C 97 57.600 57.921 -0.321 1 1 898 . 17 1 1 A 97 97 LEU CB C 97 41.400 41.492 -0.092 1 1 902 . 17 1 1 A 97 97 LEU N N 97 118.900 120.243 -1.343 1 1 903 . 17 1 1 A 98 98 GLU H H 98 7.690 8.493 -0.803 1 1 904 . 17 1 1 A 98 98 GLU HA H 98 3.900 3.889 0.011 1 1 909 . 17 1 1 A 98 98 GLU CA C 98 58.700 59.968 -1.268 1 1 910 . 17 1 1 A 98 98 GLU CB C 98 29.600 29.585 0.015 1 1 912 . 17 1 1 A 98 98 GLU N N 98 119.100 118.683 0.417 1 1 913 . 17 1 1 A 99 99 GLU H H 99 7.500 7.521 -0.021 1 1 914 . 17 1 1 A 99 99 GLU HA H 99 4.200 4.479 -0.279 1 1 919 . 17 1 1 A 99 99 GLU CA C 99 56.100 56.158 -0.058 1 1 920 . 17 1 1 A 99 99 GLU CB C 99 30.000 30.518 -0.518 1 1 922 . 17 1 1 A 99 99 GLU N N 99 114.300 116.246 -1.946 1 1 923 . 17 1 1 A 100 100 ALA H H 100 7.400 7.746 -0.346 1 1 924 . 17 1 1 A 100 100 ALA HA H 100 4.620 4.709 -0.089 1 1 928 . 17 1 1 A 100 100 ALA CA C 100 52.000 51.713 0.287 1 1 929 . 17 1 1 A 100 100 ALA CB C 100 18.100 17.104 0.996 1 1 930 . 17 1 1 A 100 100 ALA N N 100 125.900 124.751 1.149 1 1 931 . 17 1 1 A 101 101 THR H H 101 7.790 8.015 -0.225 1 1 932 . 17 1 1 A 101 101 THR HA H 101 4.050 4.532 -0.482 1 1 937 . 17 1 1 A 101 101 THR CA C 101 61.200 61.209 -0.009 1 1 938 . 17 1 1 A 101 101 THR CB C 101 68.900 67.842 1.058 1 1 940 . 17 1 1 A 101 101 THR N N 101 111.700 115.504 -3.804 1 1 941 . 17 1 1 A 102 102 PHE H H 102 7.320 7.414 -0.094 1 1 942 . 17 1 1 A 102 102 PHE HA H 102 4.750 4.990 -0.240 1 1 950 . 17 1 1 A 102 102 PHE CA C 102 54.300 54.903 -0.603 1 1 951 . 17 1 1 A 102 102 PHE CB C 102 38.200 39.008 -0.808 1 1 955 . 17 1 1 A 102 102 PHE N N 102 120.200 120.981 -0.781 1 1 956 . 17 1 1 A 103 103 PRO HA H 103 4.480 4.534 -0.054 1 1 963 . 17 1 1 A 103 103 PRO CA C 103 64.100 64.102 -0.002 1 1 964 . 17 1 1 A 103 103 PRO CB C 103 32.000 31.408 0.592 1 1 967 . 17 1 1 A 104 104 GLY H H 104 8.920 9.058 -0.138 1 1 968 . 17 1 1 A 104 104 GLY HA2 H 104 4.270 4.010 0.260 1 1 969 . 17 1 1 A 104 104 GLY HA3 H 104 4.160 4.012 0.148 1 1 970 . 17 1 1 A 104 104 GLY CA C 104 45.600 45.467 0.133 1 1 971 . 17 1 1 A 104 104 GLY N N 104 109.600 112.931 -3.331 1 1 972 . 17 1 1 A 105 105 PHE H H 105 7.250 7.617 -0.367 1 1 973 . 17 1 1 A 105 105 PHE HA H 105 4.930 4.832 0.098 1 1 981 . 17 1 1 A 105 105 PHE CA C 105 54.900 57.188 -2.288 1 1 982 . 17 1 1 A 105 105 PHE CB C 105 39.400 41.884 -2.484 1 1 986 . 17 1 1 A 105 105 PHE N N 105 120.100 118.671 1.429 1 1 987 . 17 1 1 A 106 106 THR H H 106 8.110 8.836 -0.726 1 1 988 . 17 1 1 A 106 106 THR HA H 106 4.840 4.864 -0.024 1 1 993 . 17 1 1 A 106 106 THR CA C 106 64.400 62.140 2.260 1 1 994 . 17 1 1 A 106 106 THR CB C 106 70.500 69.850 0.650 1 1 996 . 17 1 1 A 106 106 THR N N 106 118.600 117.480 1.120 1 1 997 . 17 1 1 A 107 107 TYR H H 107 9.660 9.537 0.123 1 1 998 . 17 1 1 A 107 107 TYR HA H 107 5.150 5.510 -0.360 1 1 1005 . 17 1 1 A 107 107 TYR CA C 107 56.900 57.074 -0.174 1 1 1006 . 17 1 1 A 107 107 TYR CB C 107 38.900 39.434 -0.534 1 1 1009 . 17 1 1 A 107 107 TYR N N 107 126.600 126.799 -0.199 1 1 1010 . 17 1 1 A 108 108 VAL H H 108 9.270 9.380 -0.110 1 1 1011 . 17 1 1 A 108 108 VAL HA H 108 5.220 4.775 0.445 1 1 1019 . 17 1 1 A 108 108 VAL CA C 108 60.800 62.157 -1.357 1 1 1020 . 17 1 1 A 108 108 VAL CB C 108 33.500 33.002 0.498 1 1 1023 . 17 1 1 A 108 108 VAL N N 108 124.400 124.265 0.135 1 1 1024 . 17 1 1 A 109 109 ILE H H 109 9.300 9.715 -0.415 1 1 1025 . 17 1 1 A 109 109 ILE HA H 109 5.150 5.197 -0.047 1 1 1035 . 17 1 1 A 109 109 ILE CA C 109 58.000 59.776 -1.776 1 1 1036 . 17 1 1 A 109 109 ILE CB C 109 39.600 40.421 -0.821 1 1 1040 . 17 1 1 A 109 109 ILE N N 109 128.500 128.590 -0.090 1 1 1041 . 17 1 1 A 110 110 VAL H H 110 7.910 9.012 -1.102 1 1 1042 . 17 1 1 A 110 110 VAL HA H 110 5.650 4.861 0.789 1 1 1050 . 17 1 1 A 110 110 VAL CA C 110 56.800 59.983 -3.183 1 1 1051 . 17 1 1 A 110 110 VAL CB C 110 35.400 34.120 1.280 1 1 1054 . 17 1 1 A 110 110 VAL N N 110 122.600 129.432 -6.832 1 1 1055 . 17 1 1 A 111 111 SER H H 111 9.390 9.162 0.228 1 1 1056 . 17 1 1 A 111 111 SER HA H 111 4.850 4.924 -0.074 1 1 1059 . 17 1 1 A 111 111 SER CA C 111 57.700 58.189 -0.489 1 1 1060 . 17 1 1 A 111 111 SER CB C 111 64.500 63.739 0.761 1 1 1061 . 17 1 1 A 111 111 SER N N 111 124.700 125.119 -0.419 1 1 1062 . 17 1 1 A 112 112 VAL H H 112 7.850 9.531 -1.681 1 1 1063 . 17 1 1 A 112 112 VAL HA H 112 4.530 4.632 -0.102 1 1 1071 . 17 1 1 A 112 112 VAL CA C 112 61.000 61.368 -0.368 1 1 1072 . 17 1 1 A 112 112 VAL CB C 112 33.800 33.271 0.529 1 1 1075 . 17 1 1 A 112 112 VAL N N 112 126.100 127.450 -1.350 1 1 1076 . 17 1 1 A 113 113 ARG H H 113 8.620 9.213 -0.593 1 1 1077 . 17 1 1 A 113 113 ARG HA H 113 5.020 4.520 0.500 1 1 1084 . 17 1 1 A 113 113 ARG CA C 113 54.100 54.764 -0.664 1 1 1085 . 17 1 1 A 113 113 ARG CB C 113 31.500 30.759 0.741 1 1 1088 . 17 1 1 A 113 113 ARG N N 113 128.800 128.846 -0.046 1 1 1089 . 17 1 1 A 114 114 ASP H H 114 9.650 8.612 1.038 1 1 1090 . 17 1 1 A 114 114 ASP HA H 114 4.370 3.413 0.957 1 1 1093 . 17 1 1 A 114 114 ASP CA C 114 55.100 54.532 0.568 1 1 1094 . 17 1 1 A 114 114 ASP CB C 114 39.800 39.710 0.090 1 1 1095 . 17 1 1 A 114 114 ASP N N 114 128.100 126.336 1.764 1 1 1096 . 17 1 1 A 115 115 GLY H H 115 8.350 7.696 0.654 1 1 1097 . 17 1 1 A 115 115 GLY HA2 H 115 3.980 3.805 0.175 1 1 1098 . 17 1 1 A 115 115 GLY HA3 H 115 2.460 3.833 -1.373 1 1 1099 . 17 1 1 A 115 115 GLY CA C 115 45.500 44.914 0.586 1 1 1100 . 17 1 1 A 115 115 GLY N N 115 109.900 104.254 5.646 1 1 1101 . 17 1 1 A 116 116 ALA H H 116 7.610 7.735 -0.125 1 1 1102 . 17 1 1 A 116 116 ALA HA H 116 4.920 4.485 0.435 1 1 1106 . 17 1 1 A 116 116 ALA CA C 116 48.200 49.266 -1.066 1 1 1107 . 17 1 1 A 116 116 ALA CB C 116 19.600 19.848 -0.248 1 1 1108 . 17 1 1 A 116 116 ALA N N 116 123.900 123.693 0.207 1 1 1109 . 17 1 1 A 117 117 PRO HA H 117 4.670 5.122 -0.452 1 1 1116 . 17 1 1 A 117 117 PRO CA C 117 62.900 62.580 0.320 1 1 1117 . 17 1 1 A 117 117 PRO CB C 117 31.500 31.846 -0.346 1 1 1120 . 17 1 1 A 118 118 GLU H H 118 8.900 9.021 -0.121 1 1 1121 . 17 1 1 A 118 118 GLU HA H 118 4.540 4.371 0.169 1 1 1126 . 17 1 1 A 118 118 GLU CA C 118 56.200 58.319 -2.119 1 1 1127 . 17 1 1 A 118 118 GLU CB C 118 30.500 30.793 -0.293 1 1 1129 . 17 1 1 A 118 118 GLU N N 118 127.400 123.708 3.692 1 1 1130 . 17 1 1 A 119 119 ALA H H 119 8.060 7.947 0.113 1 1 1131 . 17 1 1 A 119 119 ALA HA H 119 4.460 4.872 -0.412 1 1 1135 . 17 1 1 A 119 119 ALA CA C 119 52.600 50.089 2.511 1 1 1136 . 17 1 1 A 119 119 ALA CB C 119 21.000 22.268 -1.268 1 1 1137 . 17 1 1 A 119 119 ALA N N 119 123.500 120.861 2.639 1 1 1138 . 17 1 1 A 120 120 LEU H H 120 8.170 9.138 -0.968 1 1 1139 . 17 1 1 A 120 120 LEU HA H 120 5.400 5.170 0.230 1 1 1149 . 17 1 1 A 120 120 LEU CA C 120 55.000 53.645 1.355 1 1 1150 . 17 1 1 A 120 120 LEU CB C 120 45.300 43.665 1.635 1 1 1154 . 17 1 1 A 120 120 LEU N N 120 123.500 121.496 2.004 1 1 1155 . 17 1 1 A 121 121 THR H H 121 9.450 9.289 0.161 1 1 1156 . 17 1 1 A 121 121 THR HA H 121 4.520 5.320 -0.800 1 1 1161 . 17 1 1 A 121 121 THR CA C 121 58.700 59.864 -1.164 1 1 1162 . 17 1 1 A 121 121 THR CB C 121 72.100 71.466 0.634 1 1 1164 . 17 1 1 A 121 121 THR N N 121 117.400 116.494 0.906 1 1 1165 . 17 1 1 A 122 122 ALA H H 122 8.620 8.286 0.334 1 1 1166 . 17 1 1 A 122 122 ALA HA H 122 5.370 5.517 -0.147 1 1 1170 . 17 1 1 A 122 122 ALA CA C 122 50.400 49.876 0.524 1 1 1171 . 17 1 1 A 122 122 ALA CB C 122 21.900 22.451 -0.551 1 1 1172 . 17 1 1 A 122 122 ALA N N 122 123.400 125.185 -1.785 1 1 1173 . 17 1 1 A 123 123 TRP H H 123 8.740 9.384 -0.644 1 1 1174 . 17 1 1 A 123 123 TRP HA H 123 5.090 5.563 -0.473 1 1 1183 . 17 1 1 A 123 123 TRP CA C 123 56.700 56.491 0.209 1 1 1184 . 17 1 1 A 123 123 TRP CB C 123 33.300 33.374 -0.074 1 1 1190 . 17 1 1 A 123 123 TRP N N 123 118.700 121.166 -2.466 1 1 1192 . 17 1 1 A 124 124 ALA H H 124 9.570 9.309 0.261 1 1 1193 . 17 1 1 A 124 124 ALA HA H 124 5.360 5.423 -0.063 1 1 1197 . 17 1 1 A 124 124 ALA CA C 124 50.300 50.468 -0.168 1 1 1198 . 17 1 1 A 124 124 ALA CB C 124 22.600 20.898 1.702 1 1 1199 . 17 1 1 A 124 124 ALA N N 124 123.200 125.982 -2.782 1 1 1200 . 17 1 1 A 125 125 LEU H H 125 9.830 9.073 0.757 1 1 1201 . 17 1 1 A 125 125 LEU HA H 125 4.190 4.566 -0.376 1 1 1211 . 17 1 1 A 125 125 LEU CA C 125 54.700 55.007 -0.307 1 1 1212 . 17 1 1 A 125 125 LEU CB C 125 44.000 43.436 0.564 1 1 1216 . 17 1 1 A 125 125 LEU N N 125 125.000 125.738 -0.738 1 1 1217 . 17 1 1 A 126 126 ALA H H 126 8.310 8.654 -0.344 1 1 1218 . 17 1 1 A 126 126 ALA HA H 126 4.460 4.523 -0.063 1 1 1222 . 17 1 1 A 126 126 ALA CA C 126 51.100 50.724 0.376 1 1 1223 . 17 1 1 A 126 126 ALA CB C 126 18.300 17.946 0.354 1 1 1224 . 17 1 1 A 126 126 ALA N N 126 127.000 129.348 -2.348 1 1 1225 . 17 1 1 A 127 127 PRO HA H 127 4.340 4.385 -0.045 1 1 1232 . 17 1 1 A 127 127 PRO CA C 127 65.400 65.402 -0.002 1 1 1233 . 17 1 1 A 127 127 PRO CB C 127 31.800 31.711 0.089 1 1 1236 . 17 1 1 A 128 128 ASP H H 128 7.680 7.497 0.183 1 1 1237 . 17 1 1 A 128 128 ASP HA H 128 4.550 4.678 -0.128 1 1 1240 . 17 1 1 A 128 128 ASP CA C 128 52.900 53.646 -0.746 1 1 1241 . 17 1 1 A 128 128 ASP CB C 128 39.600 40.975 -1.375 1 1 1242 . 17 1 1 A 128 128 ASP N N 128 113.100 114.987 -1.887 1 1 1243 . 17 1 1 A 129 129 ARG H H 129 8.500 8.267 0.233 1 1 1244 . 17 1 1 A 129 129 ARG HA H 129 3.500 3.840 -0.340 1 1 1251 . 17 1 1 A 129 129 ARG CA C 129 57.600 57.010 0.590 1 1 1252 . 17 1 1 A 129 129 ARG CB C 129 26.900 26.823 0.077 1 1 1255 . 17 1 1 A 129 129 ARG N N 129 113.100 115.670 -2.570 1 1 1256 . 17 1 1 A 130 130 SER H H 130 8.050 8.038 0.012 1 1 1257 . 17 1 1 A 130 130 SER HA H 130 4.020 4.272 -0.252 1 1 1260 . 17 1 1 A 130 130 SER CA C 130 60.100 61.357 -1.257 1 1 1261 . 17 1 1 A 130 130 SER CB C 130 63.600 63.599 0.001 1 1 1262 . 17 1 1 A 130 130 SER N N 130 111.100 113.667 -2.567 1 1 1263 . 17 1 1 A 131 131 GLU H H 131 7.060 7.563 -0.503 1 1 1264 . 17 1 1 A 131 131 GLU HA H 131 4.420 4.389 0.031 1 1 1269 . 17 1 1 A 131 131 GLU CA C 131 54.400 55.160 -0.760 1 1 1270 . 17 1 1 A 131 131 GLU CB C 131 31.800 31.173 0.627 1 1 1272 . 17 1 1 A 131 131 GLU N N 131 114.400 114.312 0.088 1 1 1273 . 17 1 1 A 132 132 PHE H H 132 8.740 8.565 0.175 1 1 1274 . 17 1 1 A 132 132 PHE HA H 132 5.390 5.668 -0.278 1 1 1282 . 17 1 1 A 132 132 PHE CA C 132 57.200 56.825 0.375 1 1 1283 . 17 1 1 A 132 132 PHE CB C 132 42.900 41.783 1.117 1 1 1287 . 17 1 1 A 132 132 PHE N N 132 117.300 117.796 -0.496 1 1 1288 . 17 1 1 A 133 133 HIS H H 133 9.870 9.634 0.236 1 1 1289 . 17 1 1 A 133 133 HIS HA H 133 5.380 5.137 0.243 1 1 1294 . 17 1 1 A 133 133 HIS CA C 133 53.300 54.628 -1.328 1 1 1295 . 17 1 1 A 133 133 HIS CB C 133 32.700 33.592 -0.892 1 1 1298 . 17 1 1 A 133 133 HIS N N 133 117.900 118.595 -0.695 1 1 1299 . 17 1 1 A 134 134 ARG H H 134 9.080 8.857 0.223 1 1 1300 . 17 1 1 A 134 134 ARG HA H 134 3.500 4.019 -0.519 1 1 1307 . 17 1 1 A 134 134 ARG CA C 134 57.100 56.157 0.943 1 1 1308 . 17 1 1 A 134 134 ARG CB C 134 30.100 30.914 -0.814 1 1 1311 . 17 1 1 A 134 134 ARG N N 134 125.600 124.353 1.247 1 1 1312 . 17 1 1 A 135 135 GLU H H 135 8.410 8.264 0.146 1 1 1313 . 17 1 1 A 135 135 GLU HA H 135 4.550 4.818 -0.268 1 1 1318 . 17 1 1 A 135 135 GLU CA C 135 54.000 55.087 -1.087 1 1 1319 . 17 1 1 A 135 135 GLU CB C 135 33.000 34.018 -1.018 1 1 1321 . 17 1 1 A 135 135 GLU N N 135 128.500 125.827 2.673 1 1 1322 . 17 1 1 A 136 136 ASP H H 136 8.480 8.683 -0.203 1 1 1323 . 17 1 1 A 136 136 ASP HA H 136 4.460 5.062 -0.602 1 1 1326 . 17 1 1 A 136 136 ASP CA C 136 54.700 52.741 1.959 1 1 1327 . 17 1 1 A 136 136 ASP CB C 136 41.500 43.795 -2.295 1 1 1328 . 17 1 1 A 136 136 ASP N N 136 124.300 123.392 0.908 1 1 1329 . 17 1 1 A 137 137 ILE H H 137 8.340 8.626 -0.286 1 1 1330 . 17 1 1 A 137 137 ILE HA H 137 4.570 4.323 0.247 1 1 1340 . 17 1 1 A 137 137 ILE CA C 137 61.400 60.796 0.604 1 1 1341 . 17 1 1 A 137 137 ILE CB C 137 38.600 37.286 1.314 1 1 1345 . 17 1 1 A 137 137 ILE N N 137 121.100 120.847 0.253 1 1 1346 . 17 1 1 A 138 138 VAL H H 138 8.730 9.015 -0.285 1 1 1347 . 17 1 1 A 138 138 VAL HA H 138 4.570 4.910 -0.340 1 1 1355 . 17 1 1 A 138 138 VAL CA C 138 59.800 59.276 0.524 1 1 1356 . 17 1 1 A 138 138 VAL CB C 138 34.700 34.071 0.629 1 1 1359 . 17 1 1 A 138 138 VAL N N 138 125.100 123.195 1.905 1 1 1360 . 17 1 1 A 139 139 ARG H H 139 8.390 8.420 -0.030 1 1 1361 . 17 1 1 A 139 139 ARG HA H 139 5.210 4.991 0.219 1 1 1368 . 17 1 1 A 139 139 ARG CA C 139 53.500 53.708 -0.208 1 1 1369 . 17 1 1 A 139 139 ARG CB C 139 30.100 29.703 0.397 1 1 1372 . 17 1 1 A 139 139 ARG N N 139 122.800 122.819 -0.019 1 1 1373 . 17 1 1 A 140 140 PRO HA H 140 4.380 4.662 -0.282 1 1 1380 . 17 1 1 A 140 140 PRO CA C 140 62.400 62.429 -0.029 1 1 1381 . 17 1 1 A 140 140 PRO CB C 140 32.000 29.627 2.373 1 1 1384 . 17 1 1 A 141 141 ASP H H 141 8.520 8.596 -0.076 1 1 1385 . 17 1 1 A 141 141 ASP HA H 141 4.780 5.184 -0.404 1 1 1388 . 17 1 1 A 141 141 ASP CA C 141 54.500 51.656 2.844 1 1 1389 . 17 1 1 A 141 141 ASP CB C 141 40.600 41.897 -1.297 1 1 1390 . 17 1 1 A 141 141 ASP N N 141 122.200 122.996 -0.796 1 1 1391 . 17 1 1 A 142 142 PRO HA H 142 4.380 4.535 -0.155 1 1 1398 . 17 1 1 A 142 142 PRO CA C 142 63.500 63.325 0.175 1 1 1399 . 17 1 1 A 142 142 PRO CB C 142 32.000 30.777 1.223 1 1 1402 . 17 1 1 A 143 143 GLU H H 143 8.460 8.170 0.290 1 1 1403 . 17 1 1 A 143 143 GLU HA H 143 4.260 4.474 -0.214 1 1 1408 . 17 1 1 A 143 143 GLU CA C 143 56.000 56.422 -0.422 1 1 1409 . 17 1 1 A 143 143 GLU CB C 143 30.000 30.529 -0.529 1 1 1411 . 17 1 1 A 143 143 GLU N N 143 119.500 120.109 -0.609 1 1 1412 . 17 1 1 A 144 144 ALA H H 144 8.030 7.587 0.443 1 1 1413 . 17 1 1 A 144 144 ALA HA H 144 4.590 4.447 0.143 1 1 1417 . 17 1 1 A 144 144 ALA CA C 144 50.300 50.721 -0.421 1 1 1418 . 17 1 1 A 144 144 ALA CB C 144 18.300 18.572 -0.272 1 1 1419 . 17 1 1 A 144 144 ALA N N 144 125.800 123.788 2.012 1 1 1420 . 17 1 1 A 145 145 PRO HA H 145 4.400 4.615 -0.215 1 1 1427 . 17 1 1 A 145 145 PRO CA C 145 62.900 62.701 0.199 1 1 1428 . 17 1 1 A 145 145 PRO CB C 145 32.000 31.964 0.036 1 1 1431 . 17 1 1 A 146 146 LEU H H 146 8.330 8.456 -0.126 1 1 1432 . 17 1 1 A 146 146 LEU HA H 146 4.230 4.329 -0.099 1 1 1442 . 17 1 1 A 146 146 LEU CA C 146 55.100 54.725 0.375 1 1 1443 . 17 1 1 A 146 146 LEU CB C 146 42.200 42.181 0.019 1 1 1447 . 17 1 1 A 146 146 LEU N N 146 122.100 122.566 -0.466 1 1 1448 . 17 1 1 A 147 147 GLU H H 147 8.300 8.997 -0.697 1 1 1449 . 17 1 1 A 147 147 GLU HA H 147 4.220 3.884 0.336 1 1 1454 . 17 1 1 A 147 147 GLU CA C 147 56.200 59.646 -3.446 1 1 1455 . 17 1 1 A 147 147 GLU CB C 147 30.300 29.167 1.133 1 1 13 . 18 1 1 A 2 2 LYS H H 2 9.020 9.031 -0.011 1 1 14 . 18 1 1 A 2 2 LYS HA H 2 5.640 5.458 0.182 1 1 23 . 18 1 1 A 2 2 LYS CA C 2 53.700 55.322 -1.622 1 1 24 . 18 1 1 A 2 2 LYS CB C 2 34.900 33.597 1.303 1 1 28 . 18 1 1 A 2 2 LYS N N 2 125.700 125.740 -0.040 1 1 29 . 18 1 1 A 3 3 THR H H 3 8.850 8.975 -0.125 1 1 30 . 18 1 1 A 3 3 THR HA H 3 4.660 4.705 -0.045 1 1 36 . 18 1 1 A 3 3 THR CA C 3 61.600 60.613 0.987 1 1 37 . 18 1 1 A 3 3 THR CB C 3 68.200 70.340 -2.140 1 1 39 . 18 1 1 A 3 3 THR N N 3 117.000 116.821 0.179 1 1 40 . 18 1 1 A 4 4 THR H H 4 8.100 8.264 -0.164 1 1 41 . 18 1 1 A 4 4 THR HA H 4 4.790 4.922 -0.132 1 1 46 . 18 1 1 A 4 4 THR CA C 4 58.500 59.146 -0.646 1 1 47 . 18 1 1 A 4 4 THR CB C 4 68.400 69.270 -0.870 1 1 49 . 18 1 1 A 4 4 THR N N 4 110.200 115.971 -5.771 1 1 50 . 18 1 1 A 5 5 PRO HA H 5 4.110 4.149 -0.039 1 1 57 . 18 1 1 A 5 5 PRO CA C 5 65.300 65.680 -0.380 1 1 58 . 18 1 1 A 5 5 PRO CB C 5 31.800 31.541 0.259 1 1 61 . 18 1 1 A 6 6 ASP H H 6 8.530 8.350 0.180 1 1 62 . 18 1 1 A 6 6 ASP HA H 6 4.350 4.399 -0.049 1 1 65 . 18 1 1 A 6 6 ASP CA C 6 56.300 57.063 -0.763 1 1 66 . 18 1 1 A 6 6 ASP CB C 6 39.500 41.315 -1.815 1 1 67 . 18 1 1 A 6 6 ASP N N 6 114.600 117.558 -2.958 1 1 68 . 18 1 1 A 7 7 ILE H H 7 7.270 7.453 -0.183 1 1 69 . 18 1 1 A 7 7 ILE HA H 7 3.620 3.630 -0.010 1 1 79 . 18 1 1 A 7 7 ILE CA C 7 61.900 65.438 -3.538 1 1 80 . 18 1 1 A 7 7 ILE CB C 7 34.900 37.692 -2.792 1 1 84 . 18 1 1 A 7 7 ILE N N 7 121.700 119.213 2.487 1 1 85 . 18 1 1 A 8 8 LEU H H 8 6.960 8.139 -1.179 1 1 86 . 18 1 1 A 8 8 LEU HA H 8 3.710 3.871 -0.161 1 1 96 . 18 1 1 A 8 8 LEU CA C 8 57.800 57.969 -0.169 1 1 97 . 18 1 1 A 8 8 LEU CB C 8 39.900 41.111 -1.211 1 1 101 . 18 1 1 A 8 8 LEU N N 8 117.200 119.509 -2.309 1 1 102 . 18 1 1 A 9 9 ASP H H 9 8.220 8.590 -0.370 1 1 103 . 18 1 1 A 9 9 ASP HA H 9 4.330 4.226 0.104 1 1 106 . 18 1 1 A 9 9 ASP CA C 9 57.600 57.879 -0.279 1 1 107 . 18 1 1 A 9 9 ASP CB C 9 40.100 41.160 -1.060 1 1 108 . 18 1 1 A 9 9 ASP N N 9 117.600 119.570 -1.970 1 1 109 . 18 1 1 A 10 10 GLN H H 10 7.630 8.325 -0.695 1 1 110 . 18 1 1 A 10 10 GLN HA H 10 3.850 3.977 -0.127 1 1 117 . 18 1 1 A 10 10 GLN CA C 10 59.200 58.806 0.394 1 1 118 . 18 1 1 A 10 10 GLN CB C 10 29.300 28.299 1.001 1 1 120 . 18 1 1 A 10 10 GLN N N 10 118.700 117.928 0.772 1 1 122 . 18 1 1 A 11 11 ILE H H 11 7.590 8.110 -0.520 1 1 123 . 18 1 1 A 11 11 ILE HA H 11 2.960 3.405 -0.445 1 1 133 . 18 1 1 A 11 11 ILE CA C 11 65.800 65.338 0.462 1 1 134 . 18 1 1 A 11 11 ILE CB C 11 37.500 37.663 -0.163 1 1 138 . 18 1 1 A 11 11 ILE N N 11 121.700 121.103 0.597 1 1 139 . 18 1 1 A 12 12 ARG H H 12 7.720 7.719 0.001 1 1 140 . 18 1 1 A 12 12 ARG HA H 12 3.610 4.033 -0.423 1 1 147 . 18 1 1 A 12 12 ARG CA C 12 61.300 59.764 1.536 1 1 148 . 18 1 1 A 12 12 ARG CB C 12 30.100 30.196 -0.096 1 1 151 . 18 1 1 A 12 12 ARG N N 12 118.400 119.689 -1.289 1 1 152 . 18 1 1 A 13 13 VAL H H 13 8.480 7.991 0.489 1 1 153 . 18 1 1 A 13 13 VAL HA H 13 3.640 3.548 0.092 1 1 161 . 18 1 1 A 13 13 VAL CA C 13 66.400 66.417 -0.017 1 1 162 . 18 1 1 A 13 13 VAL CB C 13 31.600 31.692 -0.092 1 1 165 . 18 1 1 A 13 13 VAL N N 13 118.400 119.635 -1.235 1 1 166 . 18 1 1 A 14 14 HIS H H 14 7.790 8.806 -1.016 1 1 167 . 18 1 1 A 14 14 HIS HA H 14 4.620 4.181 0.439 1 1 172 . 18 1 1 A 14 14 HIS CA C 14 57.500 58.950 -1.450 1 1 173 . 18 1 1 A 14 14 HIS CB C 14 31.100 28.989 2.111 1 1 176 . 18 1 1 A 14 14 HIS N N 14 119.600 118.199 1.401 1 1 177 . 18 1 1 A 15 15 GLY H H 15 8.290 8.085 0.205 1 1 178 . 18 1 1 A 15 15 GLY HA2 H 15 3.400 3.580 -0.180 1 1 179 . 18 1 1 A 15 15 GLY HA3 H 15 3.620 3.628 -0.008 1 1 180 . 18 1 1 A 15 15 GLY CA C 15 47.800 47.129 0.671 1 1 181 . 18 1 1 A 15 15 GLY N N 15 104.200 107.113 -2.913 1 1 182 . 18 1 1 A 16 16 ALA H H 16 8.650 7.477 1.173 1 1 183 . 18 1 1 A 16 16 ALA HA H 16 3.940 3.995 -0.055 1 1 187 . 18 1 1 A 16 16 ALA CA C 16 55.500 54.440 1.060 1 1 188 . 18 1 1 A 16 16 ALA CB C 16 18.600 18.244 0.356 1 1 189 . 18 1 1 A 16 16 ALA N N 16 125.700 124.863 0.837 1 1 190 . 18 1 1 A 17 17 ASP H H 17 9.020 8.332 0.688 1 1 191 . 18 1 1 A 17 17 ASP HA H 17 4.420 4.332 0.088 1 1 194 . 18 1 1 A 17 17 ASP CA C 17 56.700 56.828 -0.128 1 1 195 . 18 1 1 A 17 17 ASP CB C 17 41.300 41.496 -0.196 1 1 196 . 18 1 1 A 17 17 ASP N N 17 119.300 118.728 0.572 1 1 197 . 18 1 1 A 18 18 ALA H H 18 8.210 7.318 0.892 1 1 198 . 18 1 1 A 18 18 ALA HA H 18 4.180 4.101 0.079 1 1 202 . 18 1 1 A 18 18 ALA CA C 18 53.100 54.854 -1.754 1 1 203 . 18 1 1 A 18 18 ALA CB C 18 19.000 18.171 0.829 1 1 204 . 18 1 1 A 18 18 ALA N N 18 118.300 120.204 -1.904 1 1 205 . 18 1 1 A 19 19 TYR H H 19 7.080 6.974 0.106 1 1 206 . 18 1 1 A 19 19 TYR HA H 19 4.190 4.769 -0.579 1 1 213 . 18 1 1 A 19 19 TYR CA C 19 58.300 57.168 1.132 1 1 214 . 18 1 1 A 19 19 TYR CB C 19 39.100 38.138 0.962 1 1 217 . 18 1 1 A 19 19 TYR N N 19 118.200 117.750 0.450 1 1 218 . 18 1 1 A 20 20 PRO HA H 20 2.690 4.644 -1.954 1 1 225 . 18 1 1 A 20 20 PRO CA C 20 63.300 63.782 -0.482 1 1 226 . 18 1 1 A 20 20 PRO CB C 20 33.500 32.185 1.315 1 1 229 . 18 1 1 A 21 21 GLU H H 21 8.660 8.094 0.566 1 1 230 . 18 1 1 A 21 21 GLU HA H 21 4.420 4.573 -0.153 1 1 235 . 18 1 1 A 21 21 GLU CA C 21 55.300 55.871 -0.571 1 1 236 . 18 1 1 A 21 21 GLU CB C 21 30.400 31.410 -1.010 1 1 238 . 18 1 1 A 21 21 GLU N N 21 124.800 120.275 4.525 1 1 239 . 18 1 1 A 22 22 GLU H H 22 8.290 8.662 -0.372 1 1 240 . 18 1 1 A 22 22 GLU HA H 22 3.990 5.169 -1.179 1 1 245 . 18 1 1 A 22 22 GLU CA C 22 56.400 54.593 1.807 1 1 246 . 18 1 1 A 22 22 GLU CB C 22 30.900 32.938 -2.038 1 1 248 . 18 1 1 A 22 22 GLU N N 22 119.700 117.586 2.114 1 1 249 . 18 1 1 A 23 23 GLY H H 23 8.770 8.573 0.197 1 1 250 . 18 1 1 A 23 23 GLY HA2 H 23 2.430 4.149 -1.719 1 1 251 . 18 1 1 A 23 23 GLY HA3 H 23 4.270 4.161 0.109 1 1 252 . 18 1 1 A 23 23 GLY CA C 23 42.900 45.214 -2.314 1 1 253 . 18 1 1 A 23 23 GLY N N 23 112.400 107.994 4.406 1 1 254 . 18 1 1 A 24 24 CYS H H 24 8.580 8.350 0.230 1 1 255 . 18 1 1 A 24 24 CYS HA H 24 4.630 4.544 0.086 1 1 258 . 18 1 1 A 24 24 CYS CA C 24 54.900 58.663 -3.763 1 1 259 . 18 1 1 A 24 24 CYS CB C 24 31.300 29.190 2.110 1 1 260 . 18 1 1 A 24 24 CYS N N 24 118.100 121.672 -3.572 1 1 261 . 18 1 1 A 25 25 GLY H H 25 6.730 6.807 -0.077 1 1 262 . 18 1 1 A 25 25 GLY HA2 H 25 3.650 3.928 -0.278 1 1 263 . 18 1 1 A 25 25 GLY HA3 H 25 4.030 3.936 0.094 1 1 264 . 18 1 1 A 25 25 GLY CA C 25 45.900 45.418 0.482 1 1 265 . 18 1 1 A 25 25 GLY N N 25 104.600 108.520 -3.920 1 1 266 . 18 1 1 A 26 26 PHE H H 26 9.350 8.095 1.255 1 1 267 . 18 1 1 A 26 26 PHE HA H 26 5.130 5.103 0.027 1 1 275 . 18 1 1 A 26 26 PHE CA C 26 56.900 56.533 0.367 1 1 276 . 18 1 1 A 26 26 PHE CB C 26 43.300 42.843 0.457 1 1 280 . 18 1 1 A 26 26 PHE N N 26 114.900 118.651 -3.751 1 1 281 . 18 1 1 A 27 27 LEU H H 27 8.320 9.600 -1.280 1 1 282 . 18 1 1 A 27 27 LEU HA H 27 4.590 5.210 -0.620 1 1 292 . 18 1 1 A 27 27 LEU CA C 27 52.900 53.818 -0.918 1 1 293 . 18 1 1 A 27 27 LEU CB C 27 41.200 42.619 -1.419 1 1 297 . 18 1 1 A 27 27 LEU N N 27 119.100 122.893 -3.793 1 1 298 . 18 1 1 A 28 28 LEU H H 28 9.050 8.847 0.203 1 1 299 . 18 1 1 A 28 28 LEU HA H 28 5.390 5.302 0.088 1 1 309 . 18 1 1 A 28 28 LEU CA C 28 51.900 53.245 -1.345 1 1 310 . 18 1 1 A 28 28 LEU CB C 28 42.900 43.763 -0.863 1 1 314 . 18 1 1 A 28 28 LEU N N 28 123.500 124.827 -1.327 1 1 315 . 18 1 1 A 29 29 GLY H H 29 9.950 8.357 1.593 1 1 316 . 18 1 1 A 29 29 GLY HA2 H 29 5.270 4.254 1.016 1 1 317 . 18 1 1 A 29 29 GLY HA3 H 29 3.900 4.256 -0.356 1 1 318 . 18 1 1 A 29 29 GLY CA C 29 46.700 46.209 0.491 1 1 319 . 18 1 1 A 29 29 GLY N N 29 112.400 110.235 2.165 1 1 320 . 18 1 1 A 30 30 THR H H 30 8.810 8.845 -0.035 1 1 321 . 18 1 1 A 30 30 THR HA H 30 4.810 5.326 -0.516 1 1 326 . 18 1 1 A 30 30 THR CA C 30 59.900 59.570 0.330 1 1 327 . 18 1 1 A 30 30 THR CB C 30 72.200 72.271 -0.071 1 1 329 . 18 1 1 A 30 30 THR N N 30 116.000 116.635 -0.635 1 1 330 . 18 1 1 A 31 31 VAL H H 31 8.530 8.650 -0.120 1 1 331 . 18 1 1 A 31 31 VAL HA H 31 4.830 4.572 0.258 1 1 339 . 18 1 1 A 31 31 VAL CA C 31 61.900 62.129 -0.229 1 1 340 . 18 1 1 A 31 31 VAL CB C 31 32.200 31.842 0.358 1 1 343 . 18 1 1 A 31 31 VAL N N 31 124.200 123.658 0.542 1 1 344 . 18 1 1 A 32 32 THR H H 32 9.040 8.636 0.404 1 1 345 . 18 1 1 A 32 32 THR HA H 32 4.580 4.772 -0.192 1 1 350 . 18 1 1 A 32 32 THR CA C 32 61.200 60.484 0.716 1 1 351 . 18 1 1 A 32 32 THR CB C 32 70.700 71.190 -0.490 1 1 353 . 18 1 1 A 32 32 THR N N 32 118.900 121.219 -2.319 1 1 354 . 18 1 1 A 33 33 ASP H H 33 8.980 8.986 -0.006 1 1 355 . 18 1 1 A 33 33 ASP HA H 33 4.400 4.382 0.018 1 1 358 . 18 1 1 A 33 33 ASP CA C 33 56.800 57.292 -0.492 1 1 359 . 18 1 1 A 33 33 ASP CB C 33 40.100 40.047 0.053 1 1 360 . 18 1 1 A 33 33 ASP N N 33 121.100 130.258 -9.158 1 1 361 . 18 1 1 A 34 34 ASP H H 34 7.960 8.042 -0.082 1 1 362 . 18 1 1 A 34 34 ASP HA H 34 4.640 4.705 -0.065 1 1 365 . 18 1 1 A 34 34 ASP CA C 34 53.500 54.207 -0.707 1 1 366 . 18 1 1 A 34 34 ASP CB C 34 40.400 41.402 -1.002 1 1 367 . 18 1 1 A 34 34 ASP N N 34 115.400 118.822 -3.422 1 1 368 . 18 1 1 A 35 35 GLY H H 35 8.080 8.078 0.002 1 1 369 . 18 1 1 A 35 35 GLY HA2 H 35 3.590 3.991 -0.401 1 1 370 . 18 1 1 A 35 35 GLY HA3 H 35 4.200 4.009 0.191 1 1 371 . 18 1 1 A 35 35 GLY CA C 35 45.400 45.309 0.091 1 1 372 . 18 1 1 A 35 35 GLY N N 35 108.400 106.926 1.474 1 1 373 . 18 1 1 A 36 36 ASP H H 36 7.690 7.603 0.087 1 1 374 . 18 1 1 A 36 36 ASP HA H 36 4.790 4.432 0.358 1 1 377 . 18 1 1 A 36 36 ASP CA C 36 51.900 56.385 -4.485 1 1 378 . 18 1 1 A 36 36 ASP CB C 36 42.300 41.686 0.614 1 1 379 . 18 1 1 A 36 36 ASP N N 36 120.100 121.632 -1.532 1 1 380 . 18 1 1 A 37 37 ASN H H 37 8.920 8.023 0.897 1 1 381 . 18 1 1 A 37 37 ASN HA H 37 5.180 4.768 0.412 1 1 386 . 18 1 1 A 37 37 ASN CA C 37 52.900 54.868 -1.968 1 1 387 . 18 1 1 A 37 37 ASN CB C 37 38.800 37.548 1.252 1 1 388 . 18 1 1 A 37 37 ASN N N 37 119.000 115.911 3.089 1 1 390 . 18 1 1 A 38 38 ARG H H 38 9.480 9.004 0.476 1 1 391 . 18 1 1 A 38 38 ARG HA H 38 5.310 5.282 0.028 1 1 398 . 18 1 1 A 38 38 ARG CA C 38 53.500 54.619 -1.119 1 1 399 . 18 1 1 A 38 38 ARG CB C 38 31.000 32.161 -1.161 1 1 402 . 18 1 1 A 38 38 ARG N N 38 126.900 124.852 2.048 1 1 403 . 18 1 1 A 39 39 VAL H H 39 8.810 8.991 -0.181 1 1 404 . 18 1 1 A 39 39 VAL HA H 39 4.150 4.311 -0.161 1 1 412 . 18 1 1 A 39 39 VAL CA C 39 62.800 62.195 0.605 1 1 413 . 18 1 1 A 39 39 VAL CB C 39 33.100 32.315 0.785 1 1 416 . 18 1 1 A 39 39 VAL N N 39 125.700 127.725 -2.025 1 1 417 . 18 1 1 A 40 40 ALA H H 40 9.680 8.374 1.306 1 1 418 . 18 1 1 A 40 40 ALA HA H 40 4.690 4.551 0.139 1 1 422 . 18 1 1 A 40 40 ALA CA C 40 51.300 51.503 -0.203 1 1 423 . 18 1 1 A 40 40 ALA CB C 40 22.700 20.535 2.165 1 1 424 . 18 1 1 A 40 40 ALA N N 40 102.300 129.128 -26.828 1 1 425 . 18 1 1 A 41 41 ALA H H 41 8.370 7.429 0.941 1 1 426 . 18 1 1 A 41 41 ALA HA H 41 4.530 4.836 -0.306 1 1 430 . 18 1 1 A 41 41 ALA CA C 41 51.700 51.571 0.129 1 1 431 . 18 1 1 A 41 41 ALA CB C 41 22.200 22.768 -0.568 1 1 432 . 18 1 1 A 41 41 ALA N N 41 120.200 119.155 1.045 1 1 433 . 18 1 1 A 42 42 LEU H H 42 8.690 8.702 -0.012 1 1 434 . 18 1 1 A 42 42 LEU HA H 42 5.320 5.291 0.029 1 1 444 . 18 1 1 A 42 42 LEU CA C 42 53.500 53.788 -0.288 1 1 445 . 18 1 1 A 42 42 LEU CB C 42 46.300 44.412 1.888 1 1 449 . 18 1 1 A 42 42 LEU N N 42 118.300 121.254 -2.954 1 1 450 . 18 1 1 A 43 43 HIS H H 43 8.820 8.453 0.367 1 1 451 . 18 1 1 A 43 43 HIS HA H 43 4.870 5.166 -0.296 1 1 456 . 18 1 1 A 43 43 HIS CA C 43 56.300 55.157 1.143 1 1 457 . 18 1 1 A 43 43 HIS CB C 43 34.200 33.627 0.573 1 1 460 . 18 1 1 A 43 43 HIS N N 43 120.700 124.316 -3.616 1 1 461 . 18 1 1 A 44 44 ARG H H 44 8.580 7.888 0.692 1 1 462 . 18 1 1 A 44 44 ARG HA H 44 4.420 4.280 0.140 1 1 469 . 18 1 1 A 44 44 ARG CA C 44 57.400 56.095 1.305 1 1 470 . 18 1 1 A 44 44 ARG CB C 44 31.100 31.145 -0.045 1 1 473 . 18 1 1 A 44 44 ARG N N 44 128.300 128.041 0.259 1 1 474 . 18 1 1 A 45 45 ALA H H 45 8.580 8.498 0.082 1 1 475 . 18 1 1 A 45 45 ALA HA H 45 4.720 4.661 0.059 1 1 479 . 18 1 1 A 45 45 ALA CA C 45 51.500 52.188 -0.688 1 1 480 . 18 1 1 A 45 45 ALA CB C 45 20.200 18.614 1.586 1 1 481 . 18 1 1 A 45 45 ALA N N 45 125.700 127.504 -1.804 1 1 482 . 18 1 1 A 46 46 THR H H 46 8.250 8.197 0.053 1 1 483 . 18 1 1 A 46 46 THR HA H 46 4.270 4.882 -0.612 1 1 488 . 18 1 1 A 46 46 THR CA C 46 62.000 60.715 1.285 1 1 489 . 18 1 1 A 46 46 THR CB C 46 69.900 70.121 -0.221 1 1 491 . 18 1 1 A 46 46 THR N N 46 115.500 116.737 -1.237 1 1 492 . 18 1 1 A 47 47 ASN H H 47 8.590 8.257 0.333 1 1 493 . 18 1 1 A 47 47 ASN HA H 47 4.620 4.813 -0.193 1 1 498 . 18 1 1 A 47 47 ASN CA C 47 53.400 54.544 -1.144 1 1 499 . 18 1 1 A 47 47 ASN CB C 47 38.400 38.925 -0.525 1 1 500 . 18 1 1 A 47 47 ASN N N 47 122.400 123.350 -0.950 1 1 502 . 18 1 1 A 50 50 SER H H 50 8.480 8.028 0.452 1 1 503 . 18 1 1 A 50 50 SER HA H 50 4.400 4.170 0.230 1 1 506 . 18 1 1 A 50 50 SER CA C 50 58.900 58.940 -0.040 1 1 507 . 18 1 1 A 50 50 SER CB C 50 63.600 61.752 1.848 1 1 508 . 18 1 1 A 50 50 SER N N 50 116.600 112.822 3.778 1 1 509 . 18 1 1 A 51 51 GLU H H 51 8.510 8.239 0.271 1 1 510 . 18 1 1 A 51 51 GLU HA H 51 4.300 4.760 -0.460 1 1 515 . 18 1 1 A 51 51 GLU CA C 51 56.800 54.403 2.397 1 1 516 . 18 1 1 A 51 51 GLU CB C 51 29.900 31.174 -1.274 1 1 518 . 18 1 1 A 51 51 GLU N N 51 121.800 122.850 -1.050 1 1 519 . 18 1 1 A 52 52 GLN H H 52 8.300 8.559 -0.259 1 1 520 . 18 1 1 A 52 52 GLN HA H 52 4.310 4.613 -0.303 1 1 527 . 18 1 1 A 52 52 GLN CA C 52 55.900 56.158 -0.258 1 1 528 . 18 1 1 A 52 52 GLN CB C 52 29.000 31.140 -2.140 1 1 530 . 18 1 1 A 52 52 GLN N N 52 119.500 117.520 1.980 1 1 532 . 18 1 1 A 53 53 ARG H H 53 8.350 8.035 0.315 1 1 533 . 18 1 1 A 53 53 ARG HA H 53 4.310 4.546 -0.236 1 1 540 . 18 1 1 A 53 53 ARG CA C 53 56.800 56.818 -0.018 1 1 541 . 18 1 1 A 53 53 ARG CB C 53 30.700 32.384 -1.684 1 1 544 . 18 1 1 A 53 53 ARG N N 53 121.000 118.532 2.468 1 1 545 . 18 1 1 A 54 54 THR H H 54 8.140 8.280 -0.140 1 1 546 . 18 1 1 A 54 54 THR HA H 54 4.340 4.767 -0.427 1 1 551 . 18 1 1 A 54 54 THR CA C 54 61.900 62.096 -0.196 1 1 552 . 18 1 1 A 54 54 THR CB C 54 69.600 68.975 0.625 1 1 554 . 18 1 1 A 54 54 THR N N 54 113.100 113.435 -0.335 1 1 555 . 18 1 1 A 64 64 TYR H H 64 8.220 8.375 -0.155 1 1 556 . 18 1 1 A 64 64 TYR HA H 64 3.360 3.586 -0.226 1 1 563 . 18 1 1 A 64 64 TYR CA C 64 61.600 61.333 0.267 1 1 564 . 18 1 1 A 64 64 TYR CB C 64 37.700 38.376 -0.676 1 1 567 . 18 1 1 A 64 64 TYR N N 64 120.700 119.965 0.735 1 1 568 . 18 1 1 A 65 65 ARG H H 65 8.340 8.296 0.044 1 1 569 . 18 1 1 A 65 65 ARG HA H 65 3.930 3.834 0.096 1 1 576 . 18 1 1 A 65 65 ARG CA C 65 59.600 59.717 -0.117 1 1 577 . 18 1 1 A 65 65 ARG CB C 65 30.100 30.203 -0.103 1 1 580 . 18 1 1 A 65 65 ARG N N 65 119.200 118.326 0.874 1 1 581 . 18 1 1 A 66 66 ALA H H 66 7.790 8.054 -0.264 1 1 582 . 18 1 1 A 66 66 ALA HA H 66 4.090 4.129 -0.039 1 1 586 . 18 1 1 A 66 66 ALA CA C 66 54.700 54.913 -0.213 1 1 587 . 18 1 1 A 66 66 ALA CB C 66 18.100 18.037 0.063 1 1 588 . 18 1 1 A 66 66 ALA N N 66 121.900 121.902 -0.002 1 1 589 . 18 1 1 A 67 67 ALA H H 67 7.550 7.532 0.018 1 1 590 . 18 1 1 A 67 67 ALA HA H 67 2.940 3.949 -1.009 1 1 594 . 18 1 1 A 67 67 ALA CA C 67 54.300 54.981 -0.681 1 1 595 . 18 1 1 A 67 67 ALA CB C 67 18.000 18.343 -0.343 1 1 596 . 18 1 1 A 67 67 ALA N N 67 123.000 121.016 1.984 1 1 597 . 18 1 1 A 68 68 ASP H H 68 8.320 8.448 -0.128 1 1 598 . 18 1 1 A 68 68 ASP HA H 68 4.100 4.025 0.075 1 1 601 . 18 1 1 A 68 68 ASP CA C 68 56.800 57.013 -0.213 1 1 602 . 18 1 1 A 68 68 ASP CB C 68 41.400 41.356 0.044 1 1 603 . 18 1 1 A 68 68 ASP N N 68 118.100 118.141 -0.041 1 1 604 . 18 1 1 A 69 69 ALA H H 69 7.790 8.277 -0.487 1 1 605 . 18 1 1 A 69 69 ALA HA H 69 4.010 3.954 0.056 1 1 609 . 18 1 1 A 69 69 ALA CA C 69 55.000 55.066 -0.066 1 1 610 . 18 1 1 A 69 69 ALA CB C 69 17.600 18.144 -0.544 1 1 611 . 18 1 1 A 69 69 ALA N N 69 121.200 120.629 0.571 1 1 612 . 18 1 1 A 70 70 ALA H H 70 7.490 7.617 -0.127 1 1 613 . 18 1 1 A 70 70 ALA HA H 70 4.070 4.020 0.050 1 1 617 . 18 1 1 A 70 70 ALA CA C 70 54.500 54.792 -0.292 1 1 618 . 18 1 1 A 70 70 ALA CB C 70 17.900 17.966 -0.066 1 1 619 . 18 1 1 A 70 70 ALA N N 70 121.200 119.943 1.257 1 1 620 . 18 1 1 A 71 71 ALA H H 71 8.620 8.318 0.302 1 1 621 . 18 1 1 A 71 71 ALA HA H 71 3.660 3.922 -0.262 1 1 625 . 18 1 1 A 71 71 ALA CA C 71 55.300 55.271 0.029 1 1 626 . 18 1 1 A 71 71 ALA CB C 71 17.800 18.080 -0.280 1 1 627 . 18 1 1 A 71 71 ALA N N 71 121.600 120.254 1.346 1 1 628 . 18 1 1 A 72 72 GLN H H 72 8.700 8.483 0.217 1 1 629 . 18 1 1 A 72 72 GLN HA H 72 4.080 3.988 0.092 1 1 636 . 18 1 1 A 72 72 GLN CA C 72 59.000 58.426 0.574 1 1 637 . 18 1 1 A 72 72 GLN CB C 72 28.000 28.202 -0.202 1 1 639 . 18 1 1 A 72 72 GLN N N 72 118.600 117.096 1.504 1 1 641 . 18 1 1 A 73 73 GLU H H 73 7.640 8.426 -0.786 1 1 642 . 18 1 1 A 73 73 GLU HA H 73 4.080 4.061 0.019 1 1 647 . 18 1 1 A 73 73 GLU CA C 73 58.800 59.158 -0.358 1 1 648 . 18 1 1 A 73 73 GLU CB C 73 29.600 29.302 0.298 1 1 650 . 18 1 1 A 73 73 GLU N N 73 119.000 120.192 -1.192 1 1 651 . 18 1 1 A 74 74 GLN H H 74 7.400 7.791 -0.391 1 1 652 . 18 1 1 A 74 74 GLN HA H 74 4.470 4.225 0.245 1 1 659 . 18 1 1 A 74 74 GLN CA C 74 55.000 56.103 -1.103 1 1 660 . 18 1 1 A 74 74 GLN CB C 74 30.900 29.140 1.760 1 1 662 . 18 1 1 A 74 74 GLN N N 74 114.600 116.365 -1.765 1 1 664 . 18 1 1 A 75 75 GLY H H 75 7.830 8.522 -0.692 1 1 665 . 18 1 1 A 75 75 GLY HA2 H 75 3.950 4.017 -0.067 1 1 666 . 18 1 1 A 75 75 GLY HA3 H 75 3.870 4.022 -0.152 1 1 667 . 18 1 1 A 75 75 GLY CA C 75 46.500 45.241 1.259 1 1 668 . 18 1 1 A 75 75 GLY N N 75 109.300 107.095 2.205 1 1 669 . 18 1 1 A 76 76 LEU H H 76 8.110 8.209 -0.099 1 1 670 . 18 1 1 A 76 76 LEU HA H 76 4.650 4.931 -0.281 1 1 680 . 18 1 1 A 76 76 LEU CA C 76 52.500 53.069 -0.569 1 1 681 . 18 1 1 A 76 76 LEU CB C 76 45.700 45.424 0.276 1 1 685 . 18 1 1 A 76 76 LEU N N 76 119.300 120.582 -1.282 1 1 686 . 18 1 1 A 77 77 ASP H H 77 8.990 9.146 -0.156 1 1 687 . 18 1 1 A 77 77 ASP HA H 77 5.120 5.150 -0.030 1 1 690 . 18 1 1 A 77 77 ASP CA C 77 52.600 52.114 0.486 1 1 691 . 18 1 1 A 77 77 ASP CB C 77 44.600 43.892 0.708 1 1 692 . 18 1 1 A 77 77 ASP N N 77 117.600 118.090 -0.490 1 1 693 . 18 1 1 A 78 78 VAL H H 78 9.070 8.884 0.186 1 1 694 . 18 1 1 A 78 78 VAL HA H 78 4.090 4.186 -0.096 1 1 702 . 18 1 1 A 78 78 VAL CA C 78 63.900 63.069 0.831 1 1 703 . 18 1 1 A 78 78 VAL CB C 78 30.900 30.967 -0.067 1 1 706 . 18 1 1 A 78 78 VAL N N 78 121.900 120.675 1.225 1 1 707 . 18 1 1 A 79 79 VAL H H 79 8.360 8.722 -0.362 1 1 708 . 18 1 1 A 79 79 VAL HA H 79 4.300 4.072 0.228 1 1 716 . 18 1 1 A 79 79 VAL CA C 79 59.500 61.704 -2.204 1 1 717 . 18 1 1 A 79 79 VAL CB C 79 32.600 32.447 0.153 1 1 720 . 18 1 1 A 79 79 VAL N N 79 116.700 121.722 -5.022 1 1 721 . 18 1 1 A 80 80 GLY H H 80 6.970 7.026 -0.056 1 1 722 . 18 1 1 A 80 80 GLY HA2 H 80 4.380 4.116 0.264 1 1 723 . 18 1 1 A 80 80 GLY HA3 H 80 3.550 4.255 -0.705 1 1 724 . 18 1 1 A 80 80 GLY CA C 80 46.900 46.181 0.719 1 1 725 . 18 1 1 A 80 80 GLY N N 80 106.200 108.756 -2.556 1 1 726 . 18 1 1 A 81 81 VAL H H 81 8.510 8.488 0.022 1 1 727 . 18 1 1 A 81 81 VAL HA H 81 4.900 5.047 -0.147 1 1 735 . 18 1 1 A 81 81 VAL CA C 81 59.400 60.535 -1.135 1 1 736 . 18 1 1 A 81 81 VAL CB C 81 37.600 35.957 1.643 1 1 739 . 18 1 1 A 81 81 VAL N N 81 116.200 119.169 -2.969 1 1 740 . 18 1 1 A 82 82 TYR H H 82 8.370 8.290 0.080 1 1 741 . 18 1 1 A 82 82 TYR HA H 82 6.000 6.215 -0.215 1 1 748 . 18 1 1 A 82 82 TYR CA C 82 54.900 55.341 -0.441 1 1 749 . 18 1 1 A 82 82 TYR CB C 82 42.800 42.224 0.576 1 1 752 . 18 1 1 A 82 82 TYR N N 82 118.100 121.464 -3.364 1 1 753 . 18 1 1 A 83 83 HIS H H 83 8.520 9.375 -0.855 1 1 754 . 18 1 1 A 83 83 HIS HA H 83 5.150 5.086 0.064 1 1 759 . 18 1 1 A 83 83 HIS CA C 83 54.900 54.302 0.598 1 1 760 . 18 1 1 A 83 83 HIS CB C 83 33.200 33.045 0.155 1 1 763 . 18 1 1 A 83 83 HIS N N 83 115.400 119.753 -4.353 1 1 764 . 18 1 1 A 84 84 SER H H 84 9.060 8.688 0.372 1 1 765 . 18 1 1 A 84 84 SER HA H 84 5.590 5.950 -0.360 1 1 768 . 18 1 1 A 84 84 SER CA C 84 55.800 56.138 -0.338 1 1 769 . 18 1 1 A 84 84 SER CB C 84 65.500 65.685 -0.185 1 1 770 . 18 1 1 A 84 84 SER N N 84 117.100 117.514 -0.414 1 1 771 . 18 1 1 A 85 85 HIS H H 85 8.980 8.850 0.130 1 1 772 . 18 1 1 A 85 85 HIS HA H 85 4.830 4.920 -0.090 1 1 777 . 18 1 1 A 85 85 HIS CA C 85 50.400 54.488 -4.088 1 1 778 . 18 1 1 A 85 85 HIS CB C 85 32.000 30.958 1.042 1 1 781 . 18 1 1 A 85 85 HIS N N 85 117.600 121.652 -4.052 1 1 782 . 18 1 1 A 86 86 PRO HA H 86 5.080 4.294 0.786 1 1 789 . 18 1 1 A 86 86 PRO CA C 86 62.400 63.574 -1.174 1 1 790 . 18 1 1 A 86 86 PRO CB C 86 32.400 32.740 -0.340 1 1 793 . 18 1 1 A 87 87 ASP H H 87 10.300 8.432 1.868 1 1 794 . 18 1 1 A 87 87 ASP HA H 87 4.320 4.941 -0.621 1 1 797 . 18 1 1 A 87 87 ASP CA C 87 56.600 55.763 0.837 1 1 798 . 18 1 1 A 87 87 ASP CB C 87 39.600 43.174 -3.574 1 1 799 . 18 1 1 A 87 87 ASP N N 87 123.100 118.213 4.887 1 1 800 . 18 1 1 A 88 88 HIS H H 88 7.500 8.303 -0.803 1 1 801 . 18 1 1 A 88 88 HIS HA H 88 5.050 4.656 0.394 1 1 806 . 18 1 1 A 88 88 HIS CA C 88 54.700 54.266 0.434 1 1 807 . 18 1 1 A 88 88 HIS CB C 88 32.400 29.334 3.066 1 1 810 . 18 1 1 A 88 88 HIS N N 88 115.000 116.526 -1.526 1 1 811 . 18 1 1 A 89 89 PRO HA H 89 4.370 4.665 -0.295 1 1 818 . 18 1 1 A 89 89 PRO CA C 89 62.700 62.319 0.381 1 1 819 . 18 1 1 A 89 89 PRO CB C 89 31.600 33.034 -1.434 1 1 822 . 18 1 1 A 90 90 ALA H H 90 8.020 8.068 -0.048 1 1 823 . 18 1 1 A 90 90 ALA HA H 90 4.290 4.397 -0.107 1 1 827 . 18 1 1 A 90 90 ALA CA C 90 50.800 52.099 -1.299 1 1 828 . 18 1 1 A 90 90 ALA CB C 90 16.600 20.252 -3.652 1 1 829 . 18 1 1 A 90 90 ALA N N 90 125.800 123.556 2.244 1 1 830 . 18 1 1 A 91 91 ARG H H 91 7.990 8.969 -0.979 1 1 831 . 18 1 1 A 91 91 ARG HA H 91 4.300 4.007 0.293 1 1 838 . 18 1 1 A 91 91 ARG CA C 91 53.100 57.202 -4.102 1 1 839 . 18 1 1 A 91 91 ARG CB C 91 31.800 29.232 2.568 1 1 842 . 18 1 1 A 91 91 ARG N N 91 121.900 115.668 6.232 1 1 843 . 18 1 1 A 92 92 PRO HA H 92 4.070 4.375 -0.305 1 1 850 . 18 1 1 A 92 92 PRO CA C 92 62.300 62.295 0.005 1 1 851 . 18 1 1 A 92 92 PRO CB C 92 32.500 31.848 0.652 1 1 854 . 18 1 1 A 93 93 SER H H 93 9.960 8.780 1.180 1 1 855 . 18 1 1 A 93 93 SER HA H 93 4.630 4.565 0.065 1 1 858 . 18 1 1 A 93 93 SER CA C 93 56.300 56.551 -0.251 1 1 859 . 18 1 1 A 93 93 SER CB C 93 66.500 65.955 0.545 1 1 860 . 18 1 1 A 93 93 SER N N 93 121.800 114.924 6.876 1 1 861 . 18 1 1 A 94 94 ALA H H 94 8.880 8.952 -0.072 1 1 862 . 18 1 1 A 94 94 ALA HA H 94 4.130 4.002 0.128 1 1 866 . 18 1 1 A 94 94 ALA CA C 94 55.400 55.618 -0.218 1 1 867 . 18 1 1 A 94 94 ALA CB C 94 18.000 18.196 -0.196 1 1 868 . 18 1 1 A 94 94 ALA N N 94 123.100 123.512 -0.412 1 1 869 . 18 1 1 A 95 95 THR H H 95 7.870 7.844 0.026 1 1 870 . 18 1 1 A 95 95 THR HA H 95 3.920 4.336 -0.416 1 1 875 . 18 1 1 A 95 95 THR CA C 95 65.700 66.665 -0.965 1 1 876 . 18 1 1 A 95 95 THR CB C 95 68.400 68.123 0.277 1 1 878 . 18 1 1 A 95 95 THR N N 95 114.300 114.857 -0.557 1 1 879 . 18 1 1 A 96 96 ASP H H 96 7.420 7.619 -0.199 1 1 880 . 18 1 1 A 96 96 ASP HA H 96 4.230 4.309 -0.079 1 1 883 . 18 1 1 A 96 96 ASP CA C 96 57.400 57.062 0.338 1 1 884 . 18 1 1 A 96 96 ASP CB C 96 40.100 40.312 -0.212 1 1 885 . 18 1 1 A 96 96 ASP N N 96 121.000 121.584 -0.584 1 1 886 . 18 1 1 A 97 97 LEU H H 97 7.490 8.079 -0.589 1 1 887 . 18 1 1 A 97 97 LEU HA H 97 4.000 4.234 -0.234 1 1 897 . 18 1 1 A 97 97 LEU CA C 97 57.600 57.851 -0.251 1 1 898 . 18 1 1 A 97 97 LEU CB C 97 41.400 41.956 -0.556 1 1 902 . 18 1 1 A 97 97 LEU N N 97 118.900 121.110 -2.210 1 1 903 . 18 1 1 A 98 98 GLU H H 98 7.690 8.311 -0.621 1 1 904 . 18 1 1 A 98 98 GLU HA H 98 3.900 3.857 0.043 1 1 909 . 18 1 1 A 98 98 GLU CA C 98 58.700 59.913 -1.213 1 1 910 . 18 1 1 A 98 98 GLU CB C 98 29.600 29.361 0.239 1 1 912 . 18 1 1 A 98 98 GLU N N 98 119.100 118.708 0.392 1 1 913 . 18 1 1 A 99 99 GLU H H 99 7.500 7.629 -0.129 1 1 914 . 18 1 1 A 99 99 GLU HA H 99 4.200 4.212 -0.012 1 1 919 . 18 1 1 A 99 99 GLU CA C 99 56.100 57.960 -1.860 1 1 920 . 18 1 1 A 99 99 GLU CB C 99 30.000 29.729 0.271 1 1 922 . 18 1 1 A 99 99 GLU N N 99 114.300 118.221 -3.921 1 1 923 . 18 1 1 A 100 100 ALA H H 100 7.400 7.244 0.156 1 1 924 . 18 1 1 A 100 100 ALA HA H 100 4.620 4.612 0.008 1 1 928 . 18 1 1 A 100 100 ALA CA C 100 52.000 51.506 0.494 1 1 929 . 18 1 1 A 100 100 ALA CB C 100 18.100 18.121 -0.021 1 1 930 . 18 1 1 A 100 100 ALA N N 100 125.900 122.455 3.445 1 1 931 . 18 1 1 A 101 101 THR H H 101 7.790 8.307 -0.517 1 1 932 . 18 1 1 A 101 101 THR HA H 101 4.050 4.630 -0.580 1 1 937 . 18 1 1 A 101 101 THR CA C 101 61.200 60.873 0.327 1 1 938 . 18 1 1 A 101 101 THR CB C 101 68.900 69.292 -0.392 1 1 940 . 18 1 1 A 101 101 THR N N 101 111.700 119.286 -7.586 1 1 941 . 18 1 1 A 102 102 PHE H H 102 7.320 7.698 -0.378 1 1 942 . 18 1 1 A 102 102 PHE HA H 102 4.750 5.045 -0.295 1 1 950 . 18 1 1 A 102 102 PHE CA C 102 54.300 55.041 -0.741 1 1 951 . 18 1 1 A 102 102 PHE CB C 102 38.200 38.842 -0.642 1 1 955 . 18 1 1 A 102 102 PHE N N 102 120.200 120.804 -0.604 1 1 956 . 18 1 1 A 103 103 PRO HA H 103 4.480 4.672 -0.192 1 1 963 . 18 1 1 A 103 103 PRO CA C 103 64.100 64.396 -0.296 1 1 964 . 18 1 1 A 103 103 PRO CB C 103 32.000 31.921 0.079 1 1 967 . 18 1 1 A 104 104 GLY H H 104 8.920 8.618 0.302 1 1 968 . 18 1 1 A 104 104 GLY HA2 H 104 4.270 4.110 0.160 1 1 969 . 18 1 1 A 104 104 GLY HA3 H 104 4.160 4.155 0.005 1 1 970 . 18 1 1 A 104 104 GLY CA C 104 45.600 45.414 0.186 1 1 971 . 18 1 1 A 104 104 GLY N N 104 109.600 106.972 2.628 1 1 972 . 18 1 1 A 105 105 PHE H H 105 7.250 7.826 -0.576 1 1 973 . 18 1 1 A 105 105 PHE HA H 105 4.930 5.236 -0.306 1 1 981 . 18 1 1 A 105 105 PHE CA C 105 54.900 56.569 -1.669 1 1 982 . 18 1 1 A 105 105 PHE CB C 105 39.400 42.237 -2.837 1 1 986 . 18 1 1 A 105 105 PHE N N 105 120.100 119.043 1.057 1 1 987 . 18 1 1 A 106 106 THR H H 106 8.110 8.758 -0.648 1 1 988 . 18 1 1 A 106 106 THR HA H 106 4.840 4.844 -0.004 1 1 993 . 18 1 1 A 106 106 THR CA C 106 64.400 62.426 1.974 1 1 994 . 18 1 1 A 106 106 THR CB C 106 70.500 69.767 0.733 1 1 996 . 18 1 1 A 106 106 THR N N 106 118.600 117.518 1.082 1 1 997 . 18 1 1 A 107 107 TYR H H 107 9.660 9.182 0.478 1 1 998 . 18 1 1 A 107 107 TYR HA H 107 5.150 5.705 -0.555 1 1 1005 . 18 1 1 A 107 107 TYR CA C 107 56.900 57.297 -0.397 1 1 1006 . 18 1 1 A 107 107 TYR CB C 107 38.900 40.035 -1.135 1 1 1009 . 18 1 1 A 107 107 TYR N N 107 126.600 127.068 -0.468 1 1 1010 . 18 1 1 A 108 108 VAL H H 108 9.270 9.561 -0.291 1 1 1011 . 18 1 1 A 108 108 VAL HA H 108 5.220 4.847 0.373 1 1 1019 . 18 1 1 A 108 108 VAL CA C 108 60.800 62.446 -1.646 1 1 1020 . 18 1 1 A 108 108 VAL CB C 108 33.500 32.580 0.920 1 1 1023 . 18 1 1 A 108 108 VAL N N 108 124.400 124.151 0.249 1 1 1024 . 18 1 1 A 109 109 ILE H H 109 9.300 9.444 -0.144 1 1 1025 . 18 1 1 A 109 109 ILE HA H 109 5.150 4.934 0.216 1 1 1035 . 18 1 1 A 109 109 ILE CA C 109 58.000 59.739 -1.739 1 1 1036 . 18 1 1 A 109 109 ILE CB C 109 39.600 39.142 0.458 1 1 1040 . 18 1 1 A 109 109 ILE N N 109 128.500 129.383 -0.883 1 1 1041 . 18 1 1 A 110 110 VAL H H 110 7.910 8.913 -1.003 1 1 1042 . 18 1 1 A 110 110 VAL HA H 110 5.650 5.157 0.493 1 1 1050 . 18 1 1 A 110 110 VAL CA C 110 56.800 59.403 -2.603 1 1 1051 . 18 1 1 A 110 110 VAL CB C 110 35.400 34.580 0.820 1 1 1054 . 18 1 1 A 110 110 VAL N N 110 122.600 128.443 -5.843 1 1 1055 . 18 1 1 A 111 111 SER H H 111 9.390 9.129 0.261 1 1 1056 . 18 1 1 A 111 111 SER HA H 111 4.850 4.906 -0.056 1 1 1059 . 18 1 1 A 111 111 SER CA C 111 57.700 56.755 0.945 1 1 1060 . 18 1 1 A 111 111 SER CB C 111 64.500 64.167 0.333 1 1 1061 . 18 1 1 A 111 111 SER N N 111 124.700 124.717 -0.017 1 1 1062 . 18 1 1 A 112 112 VAL H H 112 7.850 9.028 -1.178 1 1 1063 . 18 1 1 A 112 112 VAL HA H 112 4.530 4.683 -0.153 1 1 1071 . 18 1 1 A 112 112 VAL CA C 112 61.000 61.586 -0.586 1 1 1072 . 18 1 1 A 112 112 VAL CB C 112 33.800 33.173 0.627 1 1 1075 . 18 1 1 A 112 112 VAL N N 112 126.100 127.902 -1.802 1 1 1076 . 18 1 1 A 113 113 ARG H H 113 8.620 9.599 -0.979 1 1 1077 . 18 1 1 A 113 113 ARG HA H 113 5.020 4.490 0.530 1 1 1084 . 18 1 1 A 113 113 ARG CA C 113 54.100 54.736 -0.636 1 1 1085 . 18 1 1 A 113 113 ARG CB C 113 31.500 29.203 2.297 1 1 1088 . 18 1 1 A 113 113 ARG N N 113 128.800 128.580 0.220 1 1 1089 . 18 1 1 A 114 114 ASP H H 114 9.650 8.787 0.863 1 1 1090 . 18 1 1 A 114 114 ASP HA H 114 4.370 4.361 0.009 1 1 1093 . 18 1 1 A 114 114 ASP CA C 114 55.100 54.996 0.104 1 1 1094 . 18 1 1 A 114 114 ASP CB C 114 39.800 39.711 0.089 1 1 1095 . 18 1 1 A 114 114 ASP N N 114 128.100 125.094 3.006 1 1 1096 . 18 1 1 A 115 115 GLY H H 115 8.350 8.593 -0.243 1 1 1097 . 18 1 1 A 115 115 GLY HA2 H 115 3.980 3.903 0.077 1 1 1098 . 18 1 1 A 115 115 GLY HA3 H 115 2.460 3.910 -1.450 1 1 1099 . 18 1 1 A 115 115 GLY CA C 115 45.500 45.324 0.176 1 1 1100 . 18 1 1 A 115 115 GLY N N 115 109.900 107.249 2.651 1 1 1101 . 18 1 1 A 116 116 ALA H H 116 7.610 7.750 -0.140 1 1 1102 . 18 1 1 A 116 116 ALA HA H 116 4.920 4.542 0.378 1 1 1106 . 18 1 1 A 116 116 ALA CA C 116 48.200 49.128 -0.928 1 1 1107 . 18 1 1 A 116 116 ALA CB C 116 19.600 19.828 -0.228 1 1 1108 . 18 1 1 A 116 116 ALA N N 116 123.900 124.564 -0.664 1 1 1109 . 18 1 1 A 117 117 PRO HA H 117 4.670 4.689 -0.019 1 1 1116 . 18 1 1 A 117 117 PRO CA C 117 62.900 62.846 0.054 1 1 1117 . 18 1 1 A 117 117 PRO CB C 117 31.500 31.709 -0.209 1 1 1120 . 18 1 1 A 118 118 GLU H H 118 8.900 9.286 -0.386 1 1 1121 . 18 1 1 A 118 118 GLU HA H 118 4.540 4.244 0.296 1 1 1126 . 18 1 1 A 118 118 GLU CA C 118 56.200 59.294 -3.094 1 1 1127 . 18 1 1 A 118 118 GLU CB C 118 30.500 30.408 0.092 1 1 1129 . 18 1 1 A 118 118 GLU N N 118 127.400 124.017 3.383 1 1 1130 . 18 1 1 A 119 119 ALA H H 119 8.060 7.791 0.269 1 1 1131 . 18 1 1 A 119 119 ALA HA H 119 4.460 4.725 -0.265 1 1 1135 . 18 1 1 A 119 119 ALA CA C 119 52.600 51.723 0.877 1 1 1136 . 18 1 1 A 119 119 ALA CB C 119 21.000 22.727 -1.727 1 1 1137 . 18 1 1 A 119 119 ALA N N 119 123.500 119.620 3.880 1 1 1138 . 18 1 1 A 120 120 LEU H H 120 8.170 8.744 -0.574 1 1 1139 . 18 1 1 A 120 120 LEU HA H 120 5.400 5.352 0.048 1 1 1149 . 18 1 1 A 120 120 LEU CA C 120 55.000 52.758 2.242 1 1 1150 . 18 1 1 A 120 120 LEU CB C 120 45.300 45.052 0.248 1 1 1154 . 18 1 1 A 120 120 LEU N N 120 123.500 118.771 4.729 1 1 1155 . 18 1 1 A 121 121 THR H H 121 9.450 8.908 0.542 1 1 1156 . 18 1 1 A 121 121 THR HA H 121 4.520 4.679 -0.159 1 1 1161 . 18 1 1 A 121 121 THR CA C 121 58.700 60.934 -2.234 1 1 1162 . 18 1 1 A 121 121 THR CB C 121 72.100 72.485 -0.385 1 1 1164 . 18 1 1 A 121 121 THR N N 121 117.400 115.224 2.176 1 1 1165 . 18 1 1 A 122 122 ALA H H 122 8.620 8.616 0.004 1 1 1166 . 18 1 1 A 122 122 ALA HA H 122 5.370 5.506 -0.136 1 1 1170 . 18 1 1 A 122 122 ALA CA C 122 50.400 49.813 0.587 1 1 1171 . 18 1 1 A 122 122 ALA CB C 122 21.900 21.773 0.127 1 1 1172 . 18 1 1 A 122 122 ALA N N 122 123.400 125.173 -1.773 1 1 1173 . 18 1 1 A 123 123 TRP H H 123 8.740 9.787 -1.047 1 1 1174 . 18 1 1 A 123 123 TRP HA H 123 5.090 5.498 -0.408 1 1 1183 . 18 1 1 A 123 123 TRP CA C 123 56.700 56.039 0.661 1 1 1184 . 18 1 1 A 123 123 TRP CB C 123 33.300 32.744 0.556 1 1 1190 . 18 1 1 A 123 123 TRP N N 123 118.700 121.466 -2.766 1 1 1192 . 18 1 1 A 124 124 ALA H H 124 9.570 9.023 0.547 1 1 1193 . 18 1 1 A 124 124 ALA HA H 124 5.360 5.404 -0.044 1 1 1197 . 18 1 1 A 124 124 ALA CA C 124 50.300 50.531 -0.231 1 1 1198 . 18 1 1 A 124 124 ALA CB C 124 22.600 20.560 2.040 1 1 1199 . 18 1 1 A 124 124 ALA N N 124 123.200 125.414 -2.214 1 1 1200 . 18 1 1 A 125 125 LEU H H 125 9.830 8.994 0.836 1 1 1201 . 18 1 1 A 125 125 LEU HA H 125 4.190 4.446 -0.256 1 1 1211 . 18 1 1 A 125 125 LEU CA C 125 54.700 54.812 -0.112 1 1 1212 . 18 1 1 A 125 125 LEU CB C 125 44.000 43.442 0.558 1 1 1216 . 18 1 1 A 125 125 LEU N N 125 125.000 126.278 -1.278 1 1 1217 . 18 1 1 A 126 126 ALA H H 126 8.310 8.677 -0.367 1 1 1218 . 18 1 1 A 126 126 ALA HA H 126 4.460 4.446 0.014 1 1 1222 . 18 1 1 A 126 126 ALA CA C 126 51.100 50.917 0.183 1 1 1223 . 18 1 1 A 126 126 ALA CB C 126 18.300 18.869 -0.569 1 1 1224 . 18 1 1 A 126 126 ALA N N 126 127.000 129.417 -2.417 1 1 1225 . 18 1 1 A 127 127 PRO HA H 127 4.340 4.374 -0.034 1 1 1232 . 18 1 1 A 127 127 PRO CA C 127 65.400 64.765 0.635 1 1 1233 . 18 1 1 A 127 127 PRO CB C 127 31.800 31.808 -0.008 1 1 1236 . 18 1 1 A 128 128 ASP H H 128 7.680 7.865 -0.185 1 1 1237 . 18 1 1 A 128 128 ASP HA H 128 4.550 4.682 -0.132 1 1 1240 . 18 1 1 A 128 128 ASP CA C 128 52.900 54.225 -1.325 1 1 1241 . 18 1 1 A 128 128 ASP CB C 128 39.600 41.109 -1.509 1 1 1242 . 18 1 1 A 128 128 ASP N N 128 113.100 117.380 -4.280 1 1 1243 . 18 1 1 A 129 129 ARG H H 129 8.500 8.388 0.112 1 1 1244 . 18 1 1 A 129 129 ARG HA H 129 3.500 3.933 -0.433 1 1 1251 . 18 1 1 A 129 129 ARG CA C 129 57.600 56.926 0.674 1 1 1252 . 18 1 1 A 129 129 ARG CB C 129 26.900 26.876 0.024 1 1 1255 . 18 1 1 A 129 129 ARG N N 129 113.100 116.399 -3.299 1 1 1256 . 18 1 1 A 130 130 SER H H 130 8.050 8.068 -0.018 1 1 1257 . 18 1 1 A 130 130 SER HA H 130 4.020 4.454 -0.434 1 1 1260 . 18 1 1 A 130 130 SER CA C 130 60.100 60.566 -0.466 1 1 1261 . 18 1 1 A 130 130 SER CB C 130 63.600 64.074 -0.474 1 1 1262 . 18 1 1 A 130 130 SER N N 130 111.100 113.339 -2.239 1 1 1263 . 18 1 1 A 131 131 GLU H H 131 7.060 7.629 -0.569 1 1 1264 . 18 1 1 A 131 131 GLU HA H 131 4.420 4.433 -0.013 1 1 1269 . 18 1 1 A 131 131 GLU CA C 131 54.400 55.074 -0.674 1 1 1270 . 18 1 1 A 131 131 GLU CB C 131 31.800 31.014 0.786 1 1 1272 . 18 1 1 A 131 131 GLU N N 131 114.400 114.679 -0.279 1 1 1273 . 18 1 1 A 132 132 PHE H H 132 8.740 8.524 0.216 1 1 1274 . 18 1 1 A 132 132 PHE HA H 132 5.390 5.540 -0.150 1 1 1282 . 18 1 1 A 132 132 PHE CA C 132 57.200 56.511 0.689 1 1 1283 . 18 1 1 A 132 132 PHE CB C 132 42.900 41.957 0.943 1 1 1287 . 18 1 1 A 132 132 PHE N N 132 117.300 117.724 -0.424 1 1 1288 . 18 1 1 A 133 133 HIS H H 133 9.870 9.430 0.440 1 1 1289 . 18 1 1 A 133 133 HIS HA H 133 5.380 5.282 0.098 1 1 1294 . 18 1 1 A 133 133 HIS CA C 133 53.300 54.632 -1.332 1 1 1295 . 18 1 1 A 133 133 HIS CB C 133 32.700 33.711 -1.011 1 1 1298 . 18 1 1 A 133 133 HIS N N 133 117.900 118.675 -0.775 1 1 1299 . 18 1 1 A 134 134 ARG H H 134 9.080 8.862 0.218 1 1 1300 . 18 1 1 A 134 134 ARG HA H 134 3.500 4.257 -0.757 1 1 1307 . 18 1 1 A 134 134 ARG CA C 134 57.100 56.572 0.528 1 1 1308 . 18 1 1 A 134 134 ARG CB C 134 30.100 31.103 -1.003 1 1 1311 . 18 1 1 A 134 134 ARG N N 134 125.600 124.053 1.547 1 1 1312 . 18 1 1 A 135 135 GLU H H 135 8.410 8.567 -0.157 1 1 1313 . 18 1 1 A 135 135 GLU HA H 135 4.550 4.998 -0.448 1 1 1318 . 18 1 1 A 135 135 GLU CA C 135 54.000 54.592 -0.592 1 1 1319 . 18 1 1 A 135 135 GLU CB C 135 33.000 33.804 -0.804 1 1 1321 . 18 1 1 A 135 135 GLU N N 135 128.500 125.846 2.654 1 1 1322 . 18 1 1 A 136 136 ASP H H 136 8.480 8.608 -0.128 1 1 1323 . 18 1 1 A 136 136 ASP HA H 136 4.460 4.935 -0.475 1 1 1326 . 18 1 1 A 136 136 ASP CA C 136 54.700 54.182 0.518 1 1 1327 . 18 1 1 A 136 136 ASP CB C 136 41.500 42.110 -0.610 1 1 1328 . 18 1 1 A 136 136 ASP N N 136 124.300 124.407 -0.107 1 1 1329 . 18 1 1 A 137 137 ILE H H 137 8.340 8.560 -0.220 1 1 1330 . 18 1 1 A 137 137 ILE HA H 137 4.570 4.312 0.258 1 1 1340 . 18 1 1 A 137 137 ILE CA C 137 61.400 60.392 1.008 1 1 1341 . 18 1 1 A 137 137 ILE CB C 137 38.600 37.105 1.495 1 1 1345 . 18 1 1 A 137 137 ILE N N 137 121.100 124.042 -2.942 1 1 1346 . 18 1 1 A 138 138 VAL H H 138 8.730 9.450 -0.720 1 1 1347 . 18 1 1 A 138 138 VAL HA H 138 4.570 4.698 -0.128 1 1 1355 . 18 1 1 A 138 138 VAL CA C 138 59.800 60.542 -0.742 1 1 1356 . 18 1 1 A 138 138 VAL CB C 138 34.700 34.981 -0.281 1 1 1359 . 18 1 1 A 138 138 VAL N N 138 125.100 128.519 -3.419 1 1 1360 . 18 1 1 A 139 139 ARG H H 139 8.390 8.295 0.095 1 1 1361 . 18 1 1 A 139 139 ARG HA H 139 5.210 4.973 0.237 1 1 1368 . 18 1 1 A 139 139 ARG CA C 139 53.500 54.213 -0.713 1 1 1369 . 18 1 1 A 139 139 ARG CB C 139 30.100 29.746 0.354 1 1 1372 . 18 1 1 A 139 139 ARG N N 139 122.800 124.973 -2.173 1 1 1373 . 18 1 1 A 140 140 PRO HA H 140 4.380 4.423 -0.043 1 1 1380 . 18 1 1 A 140 140 PRO CA C 140 62.400 62.984 -0.584 1 1 1381 . 18 1 1 A 140 140 PRO CB C 140 32.000 31.864 0.136 1 1 1384 . 18 1 1 A 141 141 ASP H H 141 8.520 8.392 0.128 1 1 1385 . 18 1 1 A 141 141 ASP HA H 141 4.780 4.585 0.195 1 1 1388 . 18 1 1 A 141 141 ASP CA C 141 54.500 52.529 1.971 1 1 1389 . 18 1 1 A 141 141 ASP CB C 141 40.600 40.725 -0.125 1 1 1390 . 18 1 1 A 141 141 ASP N N 141 122.200 122.171 0.029 1 1 1391 . 18 1 1 A 142 142 PRO HA H 142 4.380 4.502 -0.122 1 1 1398 . 18 1 1 A 142 142 PRO CA C 142 63.500 63.881 -0.381 1 1 1399 . 18 1 1 A 142 142 PRO CB C 142 32.000 32.210 -0.210 1 1 1402 . 18 1 1 A 143 143 GLU H H 143 8.460 7.935 0.525 1 1 1403 . 18 1 1 A 143 143 GLU HA H 143 4.260 4.701 -0.441 1 1 1408 . 18 1 1 A 143 143 GLU CA C 143 56.000 55.494 0.506 1 1 1409 . 18 1 1 A 143 143 GLU CB C 143 30.000 31.062 -1.062 1 1 1411 . 18 1 1 A 143 143 GLU N N 143 119.500 119.816 -0.316 1 1 1412 . 18 1 1 A 144 144 ALA H H 144 8.030 8.578 -0.548 1 1 1413 . 18 1 1 A 144 144 ALA HA H 144 4.590 4.795 -0.205 1 1 1417 . 18 1 1 A 144 144 ALA CA C 144 50.300 49.349 0.951 1 1 1418 . 18 1 1 A 144 144 ALA CB C 144 18.300 22.136 -3.836 1 1 1419 . 18 1 1 A 144 144 ALA N N 144 125.800 126.811 -1.011 1 1 1420 . 18 1 1 A 145 145 PRO HA H 145 4.400 4.696 -0.296 1 1 1427 . 18 1 1 A 145 145 PRO CA C 145 62.900 62.797 0.103 1 1 1428 . 18 1 1 A 145 145 PRO CB C 145 32.000 32.027 -0.027 1 1 1431 . 18 1 1 A 146 146 LEU H H 146 8.330 8.692 -0.362 1 1 1432 . 18 1 1 A 146 146 LEU HA H 146 4.230 4.439 -0.209 1 1 1442 . 18 1 1 A 146 146 LEU CA C 146 55.100 57.163 -2.063 1 1 1443 . 18 1 1 A 146 146 LEU CB C 146 42.200 42.995 -0.795 1 1 1447 . 18 1 1 A 146 146 LEU N N 146 122.100 120.609 1.491 1 1 1448 . 18 1 1 A 147 147 GLU H H 147 8.300 8.232 0.068 1 1 1449 . 18 1 1 A 147 147 GLU HA H 147 4.220 4.491 -0.271 1 1 1454 . 18 1 1 A 147 147 GLU CA C 147 56.200 56.234 -0.034 1 1 1455 . 18 1 1 A 147 147 GLU CB C 147 30.300 28.718 1.582 1 1 13 . 19 1 1 A 2 2 LYS H H 2 9.020 9.338 -0.318 1 1 14 . 19 1 1 A 2 2 LYS HA H 2 5.640 5.275 0.365 1 1 23 . 19 1 1 A 2 2 LYS CA C 2 53.700 55.487 -1.787 1 1 24 . 19 1 1 A 2 2 LYS CB C 2 34.900 33.720 1.180 1 1 28 . 19 1 1 A 2 2 LYS N N 2 125.700 127.051 -1.351 1 1 29 . 19 1 1 A 3 3 THR H H 3 8.850 8.772 0.078 1 1 30 . 19 1 1 A 3 3 THR HA H 3 4.660 4.722 -0.062 1 1 36 . 19 1 1 A 3 3 THR CA C 3 61.600 60.703 0.897 1 1 37 . 19 1 1 A 3 3 THR CB C 3 68.200 70.778 -2.578 1 1 39 . 19 1 1 A 3 3 THR N N 3 117.000 116.512 0.488 1 1 40 . 19 1 1 A 4 4 THR H H 4 8.100 8.500 -0.400 1 1 41 . 19 1 1 A 4 4 THR HA H 4 4.790 4.860 -0.070 1 1 46 . 19 1 1 A 4 4 THR CA C 4 58.500 60.260 -1.760 1 1 47 . 19 1 1 A 4 4 THR CB C 4 68.400 68.915 -0.515 1 1 49 . 19 1 1 A 4 4 THR N N 4 110.200 116.717 -6.517 1 1 50 . 19 1 1 A 5 5 PRO HA H 5 4.110 4.276 -0.166 1 1 57 . 19 1 1 A 5 5 PRO CA C 5 65.300 65.332 -0.032 1 1 58 . 19 1 1 A 5 5 PRO CB C 5 31.800 31.762 0.038 1 1 61 . 19 1 1 A 6 6 ASP H H 6 8.530 8.295 0.235 1 1 62 . 19 1 1 A 6 6 ASP HA H 6 4.350 4.401 -0.051 1 1 65 . 19 1 1 A 6 6 ASP CA C 6 56.300 57.019 -0.719 1 1 66 . 19 1 1 A 6 6 ASP CB C 6 39.500 41.451 -1.951 1 1 67 . 19 1 1 A 6 6 ASP N N 6 114.600 117.699 -3.099 1 1 68 . 19 1 1 A 7 7 ILE H H 7 7.270 7.499 -0.229 1 1 69 . 19 1 1 A 7 7 ILE HA H 7 3.620 3.668 -0.048 1 1 79 . 19 1 1 A 7 7 ILE CA C 7 61.900 65.135 -3.235 1 1 80 . 19 1 1 A 7 7 ILE CB C 7 34.900 37.768 -2.868 1 1 84 . 19 1 1 A 7 7 ILE N N 7 121.700 119.239 2.461 1 1 85 . 19 1 1 A 8 8 LEU H H 8 6.960 8.354 -1.394 1 1 86 . 19 1 1 A 8 8 LEU HA H 8 3.710 3.811 -0.101 1 1 96 . 19 1 1 A 8 8 LEU CA C 8 57.800 58.003 -0.203 1 1 97 . 19 1 1 A 8 8 LEU CB C 8 39.900 41.330 -1.430 1 1 101 . 19 1 1 A 8 8 LEU N N 8 117.200 119.799 -2.599 1 1 102 . 19 1 1 A 9 9 ASP H H 9 8.220 8.584 -0.364 1 1 103 . 19 1 1 A 9 9 ASP HA H 9 4.330 4.233 0.097 1 1 106 . 19 1 1 A 9 9 ASP CA C 9 57.600 57.865 -0.265 1 1 107 . 19 1 1 A 9 9 ASP CB C 9 40.100 41.270 -1.170 1 1 108 . 19 1 1 A 9 9 ASP N N 9 117.600 119.468 -1.868 1 1 109 . 19 1 1 A 10 10 GLN H H 10 7.630 7.922 -0.292 1 1 110 . 19 1 1 A 10 10 GLN HA H 10 3.850 4.032 -0.182 1 1 117 . 19 1 1 A 10 10 GLN CA C 10 59.200 58.683 0.517 1 1 118 . 19 1 1 A 10 10 GLN CB C 10 29.300 28.350 0.950 1 1 120 . 19 1 1 A 10 10 GLN N N 10 118.700 117.898 0.802 1 1 122 . 19 1 1 A 11 11 ILE H H 11 7.590 8.078 -0.488 1 1 123 . 19 1 1 A 11 11 ILE HA H 11 2.960 3.605 -0.645 1 1 133 . 19 1 1 A 11 11 ILE CA C 11 65.800 65.188 0.612 1 1 134 . 19 1 1 A 11 11 ILE CB C 11 37.500 37.168 0.332 1 1 138 . 19 1 1 A 11 11 ILE N N 11 121.700 121.266 0.434 1 1 139 . 19 1 1 A 12 12 ARG H H 12 7.720 7.720 0.000 1 1 140 . 19 1 1 A 12 12 ARG HA H 12 3.610 3.953 -0.343 1 1 147 . 19 1 1 A 12 12 ARG CA C 12 61.300 59.355 1.945 1 1 148 . 19 1 1 A 12 12 ARG CB C 12 30.100 29.843 0.257 1 1 151 . 19 1 1 A 12 12 ARG N N 12 118.400 121.405 -3.005 1 1 152 . 19 1 1 A 13 13 VAL H H 13 8.480 8.520 -0.040 1 1 153 . 19 1 1 A 13 13 VAL HA H 13 3.640 3.658 -0.018 1 1 161 . 19 1 1 A 13 13 VAL CA C 13 66.400 66.223 0.177 1 1 162 . 19 1 1 A 13 13 VAL CB C 13 31.600 31.427 0.173 1 1 165 . 19 1 1 A 13 13 VAL N N 13 118.400 119.887 -1.487 1 1 166 . 19 1 1 A 14 14 HIS H H 14 7.790 8.338 -0.548 1 1 167 . 19 1 1 A 14 14 HIS HA H 14 4.620 4.232 0.388 1 1 172 . 19 1 1 A 14 14 HIS CA C 14 57.500 59.151 -1.651 1 1 173 . 19 1 1 A 14 14 HIS CB C 14 31.100 29.898 1.202 1 1 176 . 19 1 1 A 14 14 HIS N N 14 119.600 119.371 0.229 1 1 177 . 19 1 1 A 15 15 GLY H H 15 8.290 8.335 -0.045 1 1 178 . 19 1 1 A 15 15 GLY HA2 H 15 3.400 3.503 -0.103 1 1 179 . 19 1 1 A 15 15 GLY HA3 H 15 3.620 3.538 0.082 1 1 180 . 19 1 1 A 15 15 GLY CA C 15 47.800 47.084 0.716 1 1 181 . 19 1 1 A 15 15 GLY N N 15 104.200 105.949 -1.749 1 1 182 . 19 1 1 A 16 16 ALA H H 16 8.650 7.792 0.858 1 1 183 . 19 1 1 A 16 16 ALA HA H 16 3.940 3.916 0.024 1 1 187 . 19 1 1 A 16 16 ALA CA C 16 55.500 54.459 1.041 1 1 188 . 19 1 1 A 16 16 ALA CB C 16 18.600 18.424 0.176 1 1 189 . 19 1 1 A 16 16 ALA N N 16 125.700 124.744 0.956 1 1 190 . 19 1 1 A 17 17 ASP H H 17 9.020 8.675 0.345 1 1 191 . 19 1 1 A 17 17 ASP HA H 17 4.420 4.416 0.004 1 1 194 . 19 1 1 A 17 17 ASP CA C 17 56.700 56.749 -0.049 1 1 195 . 19 1 1 A 17 17 ASP CB C 17 41.300 41.320 -0.020 1 1 196 . 19 1 1 A 17 17 ASP N N 17 119.300 118.729 0.571 1 1 197 . 19 1 1 A 18 18 ALA H H 18 8.210 7.652 0.558 1 1 198 . 19 1 1 A 18 18 ALA HA H 18 4.180 4.234 -0.054 1 1 202 . 19 1 1 A 18 18 ALA CA C 18 53.100 54.834 -1.734 1 1 203 . 19 1 1 A 18 18 ALA CB C 18 19.000 18.572 0.428 1 1 204 . 19 1 1 A 18 18 ALA N N 18 118.300 119.731 -1.431 1 1 205 . 19 1 1 A 19 19 TYR H H 19 7.080 7.810 -0.730 1 1 206 . 19 1 1 A 19 19 TYR HA H 19 4.190 4.551 -0.361 1 1 213 . 19 1 1 A 19 19 TYR CA C 19 58.300 57.189 1.111 1 1 214 . 19 1 1 A 19 19 TYR CB C 19 39.100 38.153 0.947 1 1 217 . 19 1 1 A 19 19 TYR N N 19 118.200 117.527 0.673 1 1 218 . 19 1 1 A 20 20 PRO HA H 20 2.690 4.536 -1.846 1 1 225 . 19 1 1 A 20 20 PRO CA C 20 63.300 63.472 -0.172 1 1 226 . 19 1 1 A 20 20 PRO CB C 20 33.500 32.306 1.194 1 1 229 . 19 1 1 A 21 21 GLU H H 21 8.660 7.656 1.004 1 1 230 . 19 1 1 A 21 21 GLU HA H 21 4.420 4.394 0.026 1 1 235 . 19 1 1 A 21 21 GLU CA C 21 55.300 55.624 -0.324 1 1 236 . 19 1 1 A 21 21 GLU CB C 21 30.400 30.936 -0.536 1 1 238 . 19 1 1 A 21 21 GLU N N 21 124.800 119.747 5.053 1 1 239 . 19 1 1 A 22 22 GLU H H 22 8.290 8.103 0.187 1 1 240 . 19 1 1 A 22 22 GLU HA H 22 3.990 4.112 -0.122 1 1 245 . 19 1 1 A 22 22 GLU CA C 22 56.400 57.158 -0.758 1 1 246 . 19 1 1 A 22 22 GLU CB C 22 30.900 30.754 0.146 1 1 248 . 19 1 1 A 22 22 GLU N N 22 119.700 121.777 -2.077 1 1 249 . 19 1 1 A 23 23 GLY H H 23 8.770 8.643 0.127 1 1 250 . 19 1 1 A 23 23 GLY HA2 H 23 2.430 4.071 -1.641 1 1 251 . 19 1 1 A 23 23 GLY HA3 H 23 4.270 4.129 0.141 1 1 252 . 19 1 1 A 23 23 GLY CA C 23 42.900 45.337 -2.437 1 1 253 . 19 1 1 A 23 23 GLY N N 23 112.400 112.660 -0.260 1 1 254 . 19 1 1 A 24 24 CYS H H 24 8.580 7.688 0.892 1 1 255 . 19 1 1 A 24 24 CYS HA H 24 4.630 4.894 -0.264 1 1 258 . 19 1 1 A 24 24 CYS CA C 24 54.900 59.028 -4.128 1 1 259 . 19 1 1 A 24 24 CYS CB C 24 31.300 30.099 1.201 1 1 260 . 19 1 1 A 24 24 CYS N N 24 118.100 119.766 -1.666 1 1 261 . 19 1 1 A 25 25 GLY H H 25 6.730 7.579 -0.849 1 1 262 . 19 1 1 A 25 25 GLY HA2 H 25 3.650 3.658 -0.008 1 1 263 . 19 1 1 A 25 25 GLY HA3 H 25 4.030 3.881 0.149 1 1 264 . 19 1 1 A 25 25 GLY CA C 25 45.900 45.703 0.197 1 1 265 . 19 1 1 A 25 25 GLY N N 25 104.600 109.007 -4.407 1 1 266 . 19 1 1 A 26 26 PHE H H 26 9.350 8.476 0.874 1 1 267 . 19 1 1 A 26 26 PHE HA H 26 5.130 5.246 -0.116 1 1 275 . 19 1 1 A 26 26 PHE CA C 26 56.900 56.438 0.462 1 1 276 . 19 1 1 A 26 26 PHE CB C 26 43.300 42.896 0.404 1 1 280 . 19 1 1 A 26 26 PHE N N 26 114.900 118.870 -3.970 1 1 281 . 19 1 1 A 27 27 LEU H H 27 8.320 9.451 -1.131 1 1 282 . 19 1 1 A 27 27 LEU HA H 27 4.590 5.149 -0.559 1 1 292 . 19 1 1 A 27 27 LEU CA C 27 52.900 53.760 -0.860 1 1 293 . 19 1 1 A 27 27 LEU CB C 27 41.200 42.733 -1.533 1 1 297 . 19 1 1 A 27 27 LEU N N 27 119.100 123.815 -4.715 1 1 298 . 19 1 1 A 28 28 LEU H H 28 9.050 8.929 0.121 1 1 299 . 19 1 1 A 28 28 LEU HA H 28 5.390 5.385 0.005 1 1 309 . 19 1 1 A 28 28 LEU CA C 28 51.900 53.118 -1.218 1 1 310 . 19 1 1 A 28 28 LEU CB C 28 42.900 43.727 -0.827 1 1 314 . 19 1 1 A 28 28 LEU N N 28 123.500 124.894 -1.394 1 1 315 . 19 1 1 A 29 29 GLY H H 29 9.950 8.115 1.835 1 1 316 . 19 1 1 A 29 29 GLY HA2 H 29 5.270 4.275 0.995 1 1 317 . 19 1 1 A 29 29 GLY HA3 H 29 3.900 4.310 -0.410 1 1 318 . 19 1 1 A 29 29 GLY CA C 29 46.700 46.186 0.514 1 1 319 . 19 1 1 A 29 29 GLY N N 29 112.400 110.208 2.192 1 1 320 . 19 1 1 A 30 30 THR H H 30 8.810 8.091 0.719 1 1 321 . 19 1 1 A 30 30 THR HA H 30 4.810 5.096 -0.286 1 1 326 . 19 1 1 A 30 30 THR CA C 30 59.900 60.878 -0.978 1 1 327 . 19 1 1 A 30 30 THR CB C 30 72.200 72.767 -0.567 1 1 329 . 19 1 1 A 30 30 THR N N 30 116.000 114.833 1.167 1 1 330 . 19 1 1 A 31 31 VAL H H 31 8.530 8.727 -0.197 1 1 331 . 19 1 1 A 31 31 VAL HA H 31 4.830 4.467 0.363 1 1 339 . 19 1 1 A 31 31 VAL CA C 31 61.900 61.188 0.712 1 1 340 . 19 1 1 A 31 31 VAL CB C 31 32.200 32.830 -0.630 1 1 343 . 19 1 1 A 31 31 VAL N N 31 124.200 124.876 -0.676 1 1 344 . 19 1 1 A 32 32 THR H H 32 9.040 8.894 0.146 1 1 345 . 19 1 1 A 32 32 THR HA H 32 4.580 4.311 0.269 1 1 350 . 19 1 1 A 32 32 THR CA C 32 61.200 62.564 -1.364 1 1 351 . 19 1 1 A 32 32 THR CB C 32 70.700 68.263 2.437 1 1 353 . 19 1 1 A 32 32 THR N N 32 118.900 122.876 -3.976 1 1 354 . 19 1 1 A 33 33 ASP H H 33 8.980 9.266 -0.286 1 1 355 . 19 1 1 A 33 33 ASP HA H 33 4.400 4.332 0.068 1 1 358 . 19 1 1 A 33 33 ASP CA C 33 56.800 55.282 1.518 1 1 359 . 19 1 1 A 33 33 ASP CB C 33 40.100 40.071 0.029 1 1 360 . 19 1 1 A 33 33 ASP N N 33 121.100 126.307 -5.207 1 1 361 . 19 1 1 A 34 34 ASP H H 34 7.960 8.473 -0.513 1 1 362 . 19 1 1 A 34 34 ASP HA H 34 4.640 4.306 0.334 1 1 365 . 19 1 1 A 34 34 ASP CA C 34 53.500 55.470 -1.970 1 1 366 . 19 1 1 A 34 34 ASP CB C 34 40.400 40.551 -0.151 1 1 367 . 19 1 1 A 34 34 ASP N N 34 115.400 117.784 -2.384 1 1 368 . 19 1 1 A 35 35 GLY H H 35 8.080 8.250 -0.170 1 1 369 . 19 1 1 A 35 35 GLY HA2 H 35 3.590 3.956 -0.366 1 1 370 . 19 1 1 A 35 35 GLY HA3 H 35 4.200 3.957 0.243 1 1 371 . 19 1 1 A 35 35 GLY CA C 35 45.400 46.227 -0.827 1 1 372 . 19 1 1 A 35 35 GLY N N 35 108.400 106.880 1.520 1 1 373 . 19 1 1 A 36 36 ASP H H 36 7.690 7.719 -0.029 1 1 374 . 19 1 1 A 36 36 ASP HA H 36 4.790 5.177 -0.387 1 1 377 . 19 1 1 A 36 36 ASP CA C 36 51.900 53.176 -1.276 1 1 378 . 19 1 1 A 36 36 ASP CB C 36 42.300 44.763 -2.463 1 1 379 . 19 1 1 A 36 36 ASP N N 36 120.100 118.464 1.636 1 1 380 . 19 1 1 A 37 37 ASN H H 37 8.920 8.762 0.158 1 1 381 . 19 1 1 A 37 37 ASN HA H 37 5.180 5.552 -0.372 1 1 386 . 19 1 1 A 37 37 ASN CA C 37 52.900 51.901 0.999 1 1 387 . 19 1 1 A 37 37 ASN CB C 37 38.800 40.372 -1.572 1 1 388 . 19 1 1 A 37 37 ASN N N 37 119.000 119.886 -0.886 1 1 390 . 19 1 1 A 38 38 ARG H H 38 9.480 9.477 0.003 1 1 391 . 19 1 1 A 38 38 ARG HA H 38 5.310 5.384 -0.074 1 1 398 . 19 1 1 A 38 38 ARG CA C 38 53.500 54.520 -1.020 1 1 399 . 19 1 1 A 38 38 ARG CB C 38 31.000 33.730 -2.730 1 1 402 . 19 1 1 A 38 38 ARG N N 38 126.900 120.653 6.247 1 1 403 . 19 1 1 A 39 39 VAL H H 39 8.810 9.175 -0.365 1 1 404 . 19 1 1 A 39 39 VAL HA H 39 4.150 4.274 -0.124 1 1 412 . 19 1 1 A 39 39 VAL CA C 39 62.800 62.078 0.722 1 1 413 . 19 1 1 A 39 39 VAL CB C 39 33.100 32.662 0.438 1 1 416 . 19 1 1 A 39 39 VAL N N 39 125.700 122.750 2.950 1 1 417 . 19 1 1 A 40 40 ALA H H 40 9.680 8.914 0.766 1 1 418 . 19 1 1 A 40 40 ALA HA H 40 4.690 4.572 0.118 1 1 422 . 19 1 1 A 40 40 ALA CA C 40 51.300 52.493 -1.193 1 1 423 . 19 1 1 A 40 40 ALA CB C 40 22.700 20.856 1.844 1 1 424 . 19 1 1 A 40 40 ALA N N 40 102.300 128.870 -26.570 1 1 425 . 19 1 1 A 41 41 ALA H H 41 8.370 7.710 0.660 1 1 426 . 19 1 1 A 41 41 ALA HA H 41 4.530 4.817 -0.287 1 1 430 . 19 1 1 A 41 41 ALA CA C 41 51.700 51.570 0.130 1 1 431 . 19 1 1 A 41 41 ALA CB C 41 22.200 23.036 -0.836 1 1 432 . 19 1 1 A 41 41 ALA N N 41 120.200 117.773 2.427 1 1 433 . 19 1 1 A 42 42 LEU H H 42 8.690 8.662 0.028 1 1 434 . 19 1 1 A 42 42 LEU HA H 42 5.320 5.140 0.180 1 1 444 . 19 1 1 A 42 42 LEU CA C 42 53.500 53.960 -0.460 1 1 445 . 19 1 1 A 42 42 LEU CB C 42 46.300 43.377 2.923 1 1 449 . 19 1 1 A 42 42 LEU N N 42 118.300 120.622 -2.322 1 1 450 . 19 1 1 A 43 43 HIS H H 43 8.820 8.803 0.017 1 1 451 . 19 1 1 A 43 43 HIS HA H 43 4.870 5.428 -0.558 1 1 456 . 19 1 1 A 43 43 HIS CA C 43 56.300 54.038 2.262 1 1 457 . 19 1 1 A 43 43 HIS CB C 43 34.200 32.895 1.305 1 1 460 . 19 1 1 A 43 43 HIS N N 43 120.700 124.615 -3.915 1 1 461 . 19 1 1 A 44 44 ARG H H 44 8.580 8.702 -0.122 1 1 462 . 19 1 1 A 44 44 ARG HA H 44 4.420 4.658 -0.238 1 1 469 . 19 1 1 A 44 44 ARG CA C 44 57.400 54.942 2.458 1 1 470 . 19 1 1 A 44 44 ARG CB C 44 31.100 32.041 -0.941 1 1 473 . 19 1 1 A 44 44 ARG N N 44 128.300 125.566 2.734 1 1 474 . 19 1 1 A 45 45 ALA H H 45 8.580 7.966 0.614 1 1 475 . 19 1 1 A 45 45 ALA HA H 45 4.720 4.572 0.148 1 1 479 . 19 1 1 A 45 45 ALA CA C 45 51.500 52.520 -1.020 1 1 480 . 19 1 1 A 45 45 ALA CB C 45 20.200 18.884 1.316 1 1 481 . 19 1 1 A 45 45 ALA N N 45 125.700 126.215 -0.515 1 1 482 . 19 1 1 A 46 46 THR H H 46 8.250 8.701 -0.451 1 1 483 . 19 1 1 A 46 46 THR HA H 46 4.270 4.707 -0.437 1 1 488 . 19 1 1 A 46 46 THR CA C 46 62.000 60.333 1.667 1 1 489 . 19 1 1 A 46 46 THR CB C 46 69.900 70.250 -0.350 1 1 491 . 19 1 1 A 46 46 THR N N 46 115.500 116.289 -0.789 1 1 492 . 19 1 1 A 47 47 ASN H H 47 8.590 8.735 -0.145 1 1 493 . 19 1 1 A 47 47 ASN HA H 47 4.620 5.048 -0.428 1 1 498 . 19 1 1 A 47 47 ASN CA C 47 53.400 51.649 1.751 1 1 499 . 19 1 1 A 47 47 ASN CB C 47 38.400 39.638 -1.238 1 1 500 . 19 1 1 A 47 47 ASN N N 47 122.400 121.456 0.944 1 1 502 . 19 1 1 A 50 50 SER H H 50 8.480 8.433 0.047 1 1 503 . 19 1 1 A 50 50 SER HA H 50 4.400 4.594 -0.194 1 1 506 . 19 1 1 A 50 50 SER CA C 50 58.900 59.052 -0.152 1 1 507 . 19 1 1 A 50 50 SER CB C 50 63.600 63.933 -0.333 1 1 508 . 19 1 1 A 50 50 SER N N 50 116.600 118.297 -1.697 1 1 509 . 19 1 1 A 51 51 GLU H H 51 8.510 8.726 -0.216 1 1 510 . 19 1 1 A 51 51 GLU HA H 51 4.300 4.843 -0.543 1 1 515 . 19 1 1 A 51 51 GLU CA C 51 56.800 55.017 1.783 1 1 516 . 19 1 1 A 51 51 GLU CB C 51 29.900 30.958 -1.058 1 1 518 . 19 1 1 A 51 51 GLU N N 51 121.800 127.187 -5.387 1 1 519 . 19 1 1 A 52 52 GLN H H 52 8.300 8.420 -0.120 1 1 520 . 19 1 1 A 52 52 GLN HA H 52 4.310 4.628 -0.318 1 1 527 . 19 1 1 A 52 52 GLN CA C 52 55.900 55.676 0.224 1 1 528 . 19 1 1 A 52 52 GLN CB C 52 29.000 30.993 -1.993 1 1 530 . 19 1 1 A 52 52 GLN N N 52 119.500 126.387 -6.887 1 1 532 . 19 1 1 A 53 53 ARG H H 53 8.350 8.839 -0.489 1 1 533 . 19 1 1 A 53 53 ARG HA H 53 4.310 4.452 -0.142 1 1 540 . 19 1 1 A 53 53 ARG CA C 53 56.800 56.889 -0.089 1 1 541 . 19 1 1 A 53 53 ARG CB C 53 30.700 30.492 0.208 1 1 544 . 19 1 1 A 53 53 ARG N N 53 121.000 129.296 -8.296 1 1 545 . 19 1 1 A 54 54 THR H H 54 8.140 8.648 -0.508 1 1 546 . 19 1 1 A 54 54 THR HA H 54 4.340 4.909 -0.569 1 1 551 . 19 1 1 A 54 54 THR CA C 54 61.900 61.002 0.898 1 1 552 . 19 1 1 A 54 54 THR CB C 54 69.600 72.421 -2.821 1 1 554 . 19 1 1 A 54 54 THR N N 54 113.100 121.534 -8.434 1 1 555 . 19 1 1 A 64 64 TYR H H 64 8.220 8.577 -0.357 1 1 556 . 19 1 1 A 64 64 TYR HA H 64 3.360 3.339 0.021 1 1 563 . 19 1 1 A 64 64 TYR CA C 64 61.600 61.118 0.482 1 1 564 . 19 1 1 A 64 64 TYR CB C 64 37.700 38.658 -0.958 1 1 567 . 19 1 1 A 64 64 TYR N N 64 120.700 119.837 0.863 1 1 568 . 19 1 1 A 65 65 ARG H H 65 8.340 8.327 0.013 1 1 569 . 19 1 1 A 65 65 ARG HA H 65 3.930 3.896 0.034 1 1 576 . 19 1 1 A 65 65 ARG CA C 65 59.600 59.517 0.083 1 1 577 . 19 1 1 A 65 65 ARG CB C 65 30.100 29.866 0.234 1 1 580 . 19 1 1 A 65 65 ARG N N 65 119.200 118.723 0.477 1 1 581 . 19 1 1 A 66 66 ALA H H 66 7.790 7.883 -0.093 1 1 582 . 19 1 1 A 66 66 ALA HA H 66 4.090 4.103 -0.013 1 1 586 . 19 1 1 A 66 66 ALA CA C 66 54.700 54.899 -0.199 1 1 587 . 19 1 1 A 66 66 ALA CB C 66 18.100 18.162 -0.062 1 1 588 . 19 1 1 A 66 66 ALA N N 66 121.900 122.161 -0.261 1 1 589 . 19 1 1 A 67 67 ALA H H 67 7.550 7.521 0.029 1 1 590 . 19 1 1 A 67 67 ALA HA H 67 2.940 3.289 -0.349 1 1 594 . 19 1 1 A 67 67 ALA CA C 67 54.300 54.659 -0.359 1 1 595 . 19 1 1 A 67 67 ALA CB C 67 18.000 17.616 0.384 1 1 596 . 19 1 1 A 67 67 ALA N N 67 123.000 120.594 2.406 1 1 597 . 19 1 1 A 68 68 ASP H H 68 8.320 8.216 0.104 1 1 598 . 19 1 1 A 68 68 ASP HA H 68 4.100 4.045 0.055 1 1 601 . 19 1 1 A 68 68 ASP CA C 68 56.800 57.107 -0.307 1 1 602 . 19 1 1 A 68 68 ASP CB C 68 41.400 41.554 -0.154 1 1 603 . 19 1 1 A 68 68 ASP N N 68 118.100 117.856 0.244 1 1 604 . 19 1 1 A 69 69 ALA H H 69 7.790 8.231 -0.441 1 1 605 . 19 1 1 A 69 69 ALA HA H 69 4.010 3.979 0.031 1 1 609 . 19 1 1 A 69 69 ALA CA C 69 55.000 55.066 -0.066 1 1 610 . 19 1 1 A 69 69 ALA CB C 69 17.600 18.202 -0.602 1 1 611 . 19 1 1 A 69 69 ALA N N 69 121.200 120.373 0.827 1 1 612 . 19 1 1 A 70 70 ALA H H 70 7.490 7.616 -0.126 1 1 613 . 19 1 1 A 70 70 ALA HA H 70 4.070 3.963 0.107 1 1 617 . 19 1 1 A 70 70 ALA CA C 70 54.500 54.825 -0.325 1 1 618 . 19 1 1 A 70 70 ALA CB C 70 17.900 18.157 -0.257 1 1 619 . 19 1 1 A 70 70 ALA N N 70 121.200 119.912 1.288 1 1 620 . 19 1 1 A 71 71 ALA H H 71 8.620 8.105 0.515 1 1 621 . 19 1 1 A 71 71 ALA HA H 71 3.660 3.915 -0.255 1 1 625 . 19 1 1 A 71 71 ALA CA C 71 55.300 55.262 0.038 1 1 626 . 19 1 1 A 71 71 ALA CB C 71 17.800 18.062 -0.262 1 1 627 . 19 1 1 A 71 71 ALA N N 71 121.600 120.232 1.368 1 1 628 . 19 1 1 A 72 72 GLN H H 72 8.700 8.204 0.496 1 1 629 . 19 1 1 A 72 72 GLN HA H 72 4.080 3.984 0.096 1 1 636 . 19 1 1 A 72 72 GLN CA C 72 59.000 58.405 0.595 1 1 637 . 19 1 1 A 72 72 GLN CB C 72 28.000 28.010 -0.010 1 1 639 . 19 1 1 A 72 72 GLN N N 72 118.600 116.453 2.147 1 1 641 . 19 1 1 A 73 73 GLU H H 73 7.640 8.299 -0.659 1 1 642 . 19 1 1 A 73 73 GLU HA H 73 4.080 4.071 0.009 1 1 647 . 19 1 1 A 73 73 GLU CA C 73 58.800 59.125 -0.325 1 1 648 . 19 1 1 A 73 73 GLU CB C 73 29.600 29.384 0.216 1 1 650 . 19 1 1 A 73 73 GLU N N 73 119.000 119.368 -0.368 1 1 651 . 19 1 1 A 74 74 GLN H H 74 7.400 7.620 -0.220 1 1 652 . 19 1 1 A 74 74 GLN HA H 74 4.470 4.139 0.331 1 1 659 . 19 1 1 A 74 74 GLN CA C 74 55.000 55.405 -0.405 1 1 660 . 19 1 1 A 74 74 GLN CB C 74 30.900 29.198 1.702 1 1 662 . 19 1 1 A 74 74 GLN N N 74 114.600 116.452 -1.852 1 1 664 . 19 1 1 A 75 75 GLY H H 75 7.830 8.237 -0.407 1 1 665 . 19 1 1 A 75 75 GLY HA2 H 75 3.950 3.929 0.021 1 1 666 . 19 1 1 A 75 75 GLY HA3 H 75 3.870 3.930 -0.060 1 1 667 . 19 1 1 A 75 75 GLY CA C 75 46.500 46.250 0.250 1 1 668 . 19 1 1 A 75 75 GLY N N 75 109.300 109.421 -0.121 1 1 669 . 19 1 1 A 76 76 LEU H H 76 8.110 8.284 -0.174 1 1 670 . 19 1 1 A 76 76 LEU HA H 76 4.650 4.810 -0.160 1 1 680 . 19 1 1 A 76 76 LEU CA C 76 52.500 52.940 -0.440 1 1 681 . 19 1 1 A 76 76 LEU CB C 76 45.700 45.306 0.394 1 1 685 . 19 1 1 A 76 76 LEU N N 76 119.300 120.512 -1.212 1 1 686 . 19 1 1 A 77 77 ASP H H 77 8.990 8.922 0.068 1 1 687 . 19 1 1 A 77 77 ASP HA H 77 5.120 5.074 0.046 1 1 690 . 19 1 1 A 77 77 ASP CA C 77 52.600 52.422 0.178 1 1 691 . 19 1 1 A 77 77 ASP CB C 77 44.600 43.468 1.132 1 1 692 . 19 1 1 A 77 77 ASP N N 77 117.600 118.125 -0.525 1 1 693 . 19 1 1 A 78 78 VAL H H 78 9.070 8.903 0.167 1 1 694 . 19 1 1 A 78 78 VAL HA H 78 4.090 4.270 -0.180 1 1 702 . 19 1 1 A 78 78 VAL CA C 78 63.900 63.115 0.785 1 1 703 . 19 1 1 A 78 78 VAL CB C 78 30.900 31.213 -0.313 1 1 706 . 19 1 1 A 78 78 VAL N N 78 121.900 120.916 0.984 1 1 707 . 19 1 1 A 79 79 VAL H H 79 8.360 8.766 -0.406 1 1 708 . 19 1 1 A 79 79 VAL HA H 79 4.300 4.259 0.041 1 1 716 . 19 1 1 A 79 79 VAL CA C 79 59.500 62.397 -2.897 1 1 717 . 19 1 1 A 79 79 VAL CB C 79 32.600 32.757 -0.157 1 1 720 . 19 1 1 A 79 79 VAL N N 79 116.700 122.526 -5.826 1 1 721 . 19 1 1 A 80 80 GLY H H 80 6.970 7.169 -0.199 1 1 722 . 19 1 1 A 80 80 GLY HA2 H 80 4.380 4.132 0.248 1 1 723 . 19 1 1 A 80 80 GLY HA3 H 80 3.550 4.300 -0.750 1 1 724 . 19 1 1 A 80 80 GLY CA C 80 46.900 45.721 1.179 1 1 725 . 19 1 1 A 80 80 GLY N N 80 106.200 109.136 -2.936 1 1 726 . 19 1 1 A 81 81 VAL H H 81 8.510 8.646 -0.136 1 1 727 . 19 1 1 A 81 81 VAL HA H 81 4.900 5.061 -0.161 1 1 735 . 19 1 1 A 81 81 VAL CA C 81 59.400 60.457 -1.057 1 1 736 . 19 1 1 A 81 81 VAL CB C 81 37.600 36.035 1.565 1 1 739 . 19 1 1 A 81 81 VAL N N 81 116.200 119.946 -3.746 1 1 740 . 19 1 1 A 82 82 TYR H H 82 8.370 8.564 -0.194 1 1 741 . 19 1 1 A 82 82 TYR HA H 82 6.000 5.923 0.077 1 1 748 . 19 1 1 A 82 82 TYR CA C 82 54.900 55.655 -0.755 1 1 749 . 19 1 1 A 82 82 TYR CB C 82 42.800 42.430 0.370 1 1 752 . 19 1 1 A 82 82 TYR N N 82 118.100 121.306 -3.206 1 1 753 . 19 1 1 A 83 83 HIS H H 83 8.520 8.539 -0.019 1 1 754 . 19 1 1 A 83 83 HIS HA H 83 5.150 5.474 -0.324 1 1 759 . 19 1 1 A 83 83 HIS CA C 83 54.900 54.260 0.640 1 1 760 . 19 1 1 A 83 83 HIS CB C 83 33.200 32.956 0.244 1 1 763 . 19 1 1 A 83 83 HIS N N 83 115.400 117.521 -2.121 1 1 764 . 19 1 1 A 84 84 SER H H 84 9.060 9.307 -0.247 1 1 765 . 19 1 1 A 84 84 SER HA H 84 5.590 5.622 -0.032 1 1 768 . 19 1 1 A 84 84 SER CA C 84 55.800 55.921 -0.121 1 1 769 . 19 1 1 A 84 84 SER CB C 84 65.500 66.304 -0.804 1 1 770 . 19 1 1 A 84 84 SER N N 84 117.100 115.665 1.435 1 1 771 . 19 1 1 A 85 85 HIS H H 85 8.980 8.295 0.685 1 1 772 . 19 1 1 A 85 85 HIS HA H 85 4.830 5.255 -0.425 1 1 777 . 19 1 1 A 85 85 HIS CA C 85 50.400 54.028 -3.628 1 1 778 . 19 1 1 A 85 85 HIS CB C 85 32.000 30.975 1.025 1 1 781 . 19 1 1 A 85 85 HIS N N 85 117.600 117.035 0.565 1 1 782 . 19 1 1 A 86 86 PRO HA H 86 5.080 4.673 0.407 1 1 789 . 19 1 1 A 86 86 PRO CA C 86 62.400 62.534 -0.134 1 1 790 . 19 1 1 A 86 86 PRO CB C 86 32.400 29.360 3.040 1 1 793 . 19 1 1 A 87 87 ASP H H 87 10.300 7.795 2.505 1 1 794 . 19 1 1 A 87 87 ASP HA H 87 4.320 4.987 -0.667 1 1 797 . 19 1 1 A 87 87 ASP CA C 87 56.600 52.954 3.646 1 1 798 . 19 1 1 A 87 87 ASP CB C 87 39.600 43.913 -4.313 1 1 799 . 19 1 1 A 87 87 ASP N N 87 123.100 118.014 5.086 1 1 800 . 19 1 1 A 88 88 HIS H H 88 7.500 8.532 -1.032 1 1 801 . 19 1 1 A 88 88 HIS HA H 88 5.050 4.632 0.418 1 1 806 . 19 1 1 A 88 88 HIS CA C 88 54.700 57.130 -2.430 1 1 807 . 19 1 1 A 88 88 HIS CB C 88 32.400 28.601 3.799 1 1 810 . 19 1 1 A 88 88 HIS N N 88 115.000 116.289 -1.289 1 1 811 . 19 1 1 A 89 89 PRO HA H 89 4.370 4.588 -0.218 1 1 818 . 19 1 1 A 89 89 PRO CA C 89 62.700 62.448 0.252 1 1 819 . 19 1 1 A 89 89 PRO CB C 89 31.600 29.509 2.091 1 1 822 . 19 1 1 A 90 90 ALA H H 90 8.020 8.259 -0.239 1 1 823 . 19 1 1 A 90 90 ALA HA H 90 4.290 3.936 0.354 1 1 827 . 19 1 1 A 90 90 ALA CA C 90 50.800 52.887 -2.087 1 1 828 . 19 1 1 A 90 90 ALA CB C 90 16.600 17.458 -0.858 1 1 829 . 19 1 1 A 90 90 ALA N N 90 125.800 121.068 4.732 1 1 830 . 19 1 1 A 91 91 ARG H H 91 7.990 7.482 0.508 1 1 831 . 19 1 1 A 91 91 ARG HA H 91 4.300 4.631 -0.331 1 1 838 . 19 1 1 A 91 91 ARG CA C 91 53.100 54.031 -0.931 1 1 839 . 19 1 1 A 91 91 ARG CB C 91 31.800 32.520 -0.720 1 1 842 . 19 1 1 A 91 91 ARG N N 91 121.900 112.610 9.290 1 1 843 . 19 1 1 A 92 92 PRO HA H 92 4.070 4.417 -0.347 1 1 850 . 19 1 1 A 92 92 PRO CA C 92 62.300 62.342 -0.042 1 1 851 . 19 1 1 A 92 92 PRO CB C 92 32.500 31.573 0.927 1 1 854 . 19 1 1 A 93 93 SER H H 93 9.960 8.471 1.489 1 1 855 . 19 1 1 A 93 93 SER HA H 93 4.630 4.502 0.128 1 1 858 . 19 1 1 A 93 93 SER CA C 93 56.300 57.083 -0.783 1 1 859 . 19 1 1 A 93 93 SER CB C 93 66.500 64.805 1.695 1 1 860 . 19 1 1 A 93 93 SER N N 93 121.800 116.258 5.542 1 1 861 . 19 1 1 A 94 94 ALA H H 94 8.880 8.904 -0.024 1 1 862 . 19 1 1 A 94 94 ALA HA H 94 4.130 3.965 0.165 1 1 866 . 19 1 1 A 94 94 ALA CA C 94 55.400 55.385 0.015 1 1 867 . 19 1 1 A 94 94 ALA CB C 94 18.000 17.990 0.010 1 1 868 . 19 1 1 A 94 94 ALA N N 94 123.100 123.782 -0.682 1 1 869 . 19 1 1 A 95 95 THR H H 95 7.870 7.951 -0.081 1 1 870 . 19 1 1 A 95 95 THR HA H 95 3.920 3.845 0.075 1 1 875 . 19 1 1 A 95 95 THR CA C 95 65.700 67.017 -1.317 1 1 876 . 19 1 1 A 95 95 THR CB C 95 68.400 68.188 0.212 1 1 878 . 19 1 1 A 95 95 THR N N 95 114.300 114.926 -0.626 1 1 879 . 19 1 1 A 96 96 ASP H H 96 7.420 8.007 -0.587 1 1 880 . 19 1 1 A 96 96 ASP HA H 96 4.230 4.268 -0.038 1 1 883 . 19 1 1 A 96 96 ASP CA C 96 57.400 57.263 0.137 1 1 884 . 19 1 1 A 96 96 ASP CB C 96 40.100 40.575 -0.475 1 1 885 . 19 1 1 A 96 96 ASP N N 96 121.000 121.186 -0.186 1 1 886 . 19 1 1 A 97 97 LEU H H 97 7.490 7.644 -0.154 1 1 887 . 19 1 1 A 97 97 LEU HA H 97 4.000 4.373 -0.373 1 1 897 . 19 1 1 A 97 97 LEU CA C 97 57.600 57.888 -0.288 1 1 898 . 19 1 1 A 97 97 LEU CB C 97 41.400 41.627 -0.227 1 1 902 . 19 1 1 A 97 97 LEU N N 97 118.900 120.430 -1.530 1 1 903 . 19 1 1 A 98 98 GLU H H 98 7.690 8.554 -0.864 1 1 904 . 19 1 1 A 98 98 GLU HA H 98 3.900 4.041 -0.141 1 1 909 . 19 1 1 A 98 98 GLU CA C 98 58.700 59.633 -0.933 1 1 910 . 19 1 1 A 98 98 GLU CB C 98 29.600 28.924 0.676 1 1 912 . 19 1 1 A 98 98 GLU N N 98 119.100 118.601 0.499 1 1 913 . 19 1 1 A 99 99 GLU H H 99 7.500 7.577 -0.077 1 1 914 . 19 1 1 A 99 99 GLU HA H 99 4.200 4.383 -0.183 1 1 919 . 19 1 1 A 99 99 GLU CA C 99 56.100 56.240 -0.140 1 1 920 . 19 1 1 A 99 99 GLU CB C 99 30.000 30.316 -0.316 1 1 922 . 19 1 1 A 99 99 GLU N N 99 114.300 117.318 -3.018 1 1 923 . 19 1 1 A 100 100 ALA H H 100 7.400 7.722 -0.322 1 1 924 . 19 1 1 A 100 100 ALA HA H 100 4.620 4.036 0.584 1 1 928 . 19 1 1 A 100 100 ALA CA C 100 52.000 51.137 0.863 1 1 929 . 19 1 1 A 100 100 ALA CB C 100 18.100 17.120 0.980 1 1 930 . 19 1 1 A 100 100 ALA N N 100 125.900 124.737 1.163 1 1 931 . 19 1 1 A 101 101 THR H H 101 7.790 8.008 -0.218 1 1 932 . 19 1 1 A 101 101 THR HA H 101 4.050 4.414 -0.364 1 1 937 . 19 1 1 A 101 101 THR CA C 101 61.200 62.423 -1.223 1 1 938 . 19 1 1 A 101 101 THR CB C 101 68.900 69.036 -0.136 1 1 940 . 19 1 1 A 101 101 THR N N 101 111.700 116.562 -4.862 1 1 941 . 19 1 1 A 102 102 PHE H H 102 7.320 7.254 0.066 1 1 942 . 19 1 1 A 102 102 PHE HA H 102 4.750 5.027 -0.277 1 1 950 . 19 1 1 A 102 102 PHE CA C 102 54.300 54.611 -0.311 1 1 951 . 19 1 1 A 102 102 PHE CB C 102 38.200 39.175 -0.975 1 1 955 . 19 1 1 A 102 102 PHE N N 102 120.200 118.177 2.023 1 1 956 . 19 1 1 A 103 103 PRO HA H 103 4.480 4.558 -0.078 1 1 963 . 19 1 1 A 103 103 PRO CA C 103 64.100 63.858 0.242 1 1 964 . 19 1 1 A 103 103 PRO CB C 103 32.000 32.303 -0.303 1 1 967 . 19 1 1 A 104 104 GLY H H 104 8.920 9.009 -0.089 1 1 968 . 19 1 1 A 104 104 GLY HA2 H 104 4.270 3.920 0.350 1 1 969 . 19 1 1 A 104 104 GLY HA3 H 104 4.160 3.923 0.237 1 1 970 . 19 1 1 A 104 104 GLY CA C 104 45.600 45.190 0.410 1 1 971 . 19 1 1 A 104 104 GLY N N 104 109.600 111.444 -1.844 1 1 972 . 19 1 1 A 105 105 PHE H H 105 7.250 8.342 -1.092 1 1 973 . 19 1 1 A 105 105 PHE HA H 105 4.930 4.564 0.366 1 1 981 . 19 1 1 A 105 105 PHE CA C 105 54.900 58.027 -3.127 1 1 982 . 19 1 1 A 105 105 PHE CB C 105 39.400 40.190 -0.790 1 1 986 . 19 1 1 A 105 105 PHE N N 105 120.100 120.422 -0.322 1 1 987 . 19 1 1 A 106 106 THR H H 106 8.110 8.416 -0.306 1 1 988 . 19 1 1 A 106 106 THR HA H 106 4.840 4.576 0.264 1 1 993 . 19 1 1 A 106 106 THR CA C 106 64.400 62.236 2.164 1 1 994 . 19 1 1 A 106 106 THR CB C 106 70.500 69.491 1.009 1 1 996 . 19 1 1 A 106 106 THR N N 106 118.600 117.302 1.298 1 1 997 . 19 1 1 A 107 107 TYR H H 107 9.660 8.769 0.891 1 1 998 . 19 1 1 A 107 107 TYR HA H 107 5.150 5.269 -0.119 1 1 1005 . 19 1 1 A 107 107 TYR CA C 107 56.900 57.122 -0.222 1 1 1006 . 19 1 1 A 107 107 TYR CB C 107 38.900 39.232 -0.332 1 1 1009 . 19 1 1 A 107 107 TYR N N 107 126.600 127.372 -0.772 1 1 1010 . 19 1 1 A 108 108 VAL H H 108 9.270 9.297 -0.027 1 1 1011 . 19 1 1 A 108 108 VAL HA H 108 5.220 4.724 0.496 1 1 1019 . 19 1 1 A 108 108 VAL CA C 108 60.800 62.163 -1.363 1 1 1020 . 19 1 1 A 108 108 VAL CB C 108 33.500 33.188 0.312 1 1 1023 . 19 1 1 A 108 108 VAL N N 108 124.400 124.415 -0.015 1 1 1024 . 19 1 1 A 109 109 ILE H H 109 9.300 9.576 -0.276 1 1 1025 . 19 1 1 A 109 109 ILE HA H 109 5.150 4.892 0.258 1 1 1035 . 19 1 1 A 109 109 ILE CA C 109 58.000 59.496 -1.496 1 1 1036 . 19 1 1 A 109 109 ILE CB C 109 39.600 40.343 -0.743 1 1 1040 . 19 1 1 A 109 109 ILE N N 109 128.500 128.353 0.147 1 1 1041 . 19 1 1 A 110 110 VAL H H 110 7.910 9.048 -1.138 1 1 1042 . 19 1 1 A 110 110 VAL HA H 110 5.650 5.118 0.532 1 1 1050 . 19 1 1 A 110 110 VAL CA C 110 56.800 59.353 -2.553 1 1 1051 . 19 1 1 A 110 110 VAL CB C 110 35.400 34.178 1.222 1 1 1054 . 19 1 1 A 110 110 VAL N N 110 122.600 128.972 -6.372 1 1 1055 . 19 1 1 A 111 111 SER H H 111 9.390 8.527 0.863 1 1 1056 . 19 1 1 A 111 111 SER HA H 111 4.850 4.670 0.180 1 1 1059 . 19 1 1 A 111 111 SER CA C 111 57.700 56.984 0.716 1 1 1060 . 19 1 1 A 111 111 SER CB C 111 64.500 63.429 1.071 1 1 1061 . 19 1 1 A 111 111 SER N N 111 124.700 124.810 -0.110 1 1 1062 . 19 1 1 A 112 112 VAL H H 112 7.850 9.121 -1.271 1 1 1063 . 19 1 1 A 112 112 VAL HA H 112 4.530 4.590 -0.060 1 1 1071 . 19 1 1 A 112 112 VAL CA C 112 61.000 61.280 -0.280 1 1 1072 . 19 1 1 A 112 112 VAL CB C 112 33.800 32.837 0.963 1 1 1075 . 19 1 1 A 112 112 VAL N N 112 126.100 127.804 -1.704 1 1 1076 . 19 1 1 A 113 113 ARG H H 113 8.620 9.465 -0.845 1 1 1077 . 19 1 1 A 113 113 ARG HA H 113 5.020 4.446 0.574 1 1 1084 . 19 1 1 A 113 113 ARG CA C 113 54.100 55.033 -0.933 1 1 1085 . 19 1 1 A 113 113 ARG CB C 113 31.500 28.986 2.514 1 1 1088 . 19 1 1 A 113 113 ARG N N 113 128.800 126.697 2.103 1 1 1089 . 19 1 1 A 114 114 ASP H H 114 9.650 8.628 1.022 1 1 1090 . 19 1 1 A 114 114 ASP HA H 114 4.370 4.273 0.097 1 1 1093 . 19 1 1 A 114 114 ASP CA C 114 55.100 54.931 0.169 1 1 1094 . 19 1 1 A 114 114 ASP CB C 114 39.800 39.739 0.061 1 1 1095 . 19 1 1 A 114 114 ASP N N 114 128.100 119.583 8.517 1 1 1096 . 19 1 1 A 115 115 GLY H H 115 8.350 8.158 0.192 1 1 1097 . 19 1 1 A 115 115 GLY HA2 H 115 3.980 3.743 0.237 1 1 1098 . 19 1 1 A 115 115 GLY HA3 H 115 2.460 3.791 -1.331 1 1 1099 . 19 1 1 A 115 115 GLY CA C 115 45.500 45.098 0.402 1 1 1100 . 19 1 1 A 115 115 GLY N N 115 109.900 106.727 3.173 1 1 1101 . 19 1 1 A 116 116 ALA H H 116 7.610 7.656 -0.046 1 1 1102 . 19 1 1 A 116 116 ALA HA H 116 4.920 4.492 0.428 1 1 1106 . 19 1 1 A 116 116 ALA CA C 116 48.200 49.325 -1.125 1 1 1107 . 19 1 1 A 116 116 ALA CB C 116 19.600 19.618 -0.018 1 1 1108 . 19 1 1 A 116 116 ALA N N 116 123.900 124.286 -0.386 1 1 1109 . 19 1 1 A 117 117 PRO HA H 117 4.670 4.658 0.012 1 1 1116 . 19 1 1 A 117 117 PRO CA C 117 62.900 62.618 0.282 1 1 1117 . 19 1 1 A 117 117 PRO CB C 117 31.500 31.804 -0.304 1 1 1120 . 19 1 1 A 118 118 GLU H H 118 8.900 9.401 -0.501 1 1 1121 . 19 1 1 A 118 118 GLU HA H 118 4.540 4.278 0.262 1 1 1126 . 19 1 1 A 118 118 GLU CA C 118 56.200 58.641 -2.441 1 1 1127 . 19 1 1 A 118 118 GLU CB C 118 30.500 30.332 0.168 1 1 1129 . 19 1 1 A 118 118 GLU N N 118 127.400 123.552 3.848 1 1 1130 . 19 1 1 A 119 119 ALA H H 119 8.060 7.758 0.302 1 1 1131 . 19 1 1 A 119 119 ALA HA H 119 4.460 4.698 -0.238 1 1 1135 . 19 1 1 A 119 119 ALA CA C 119 52.600 50.864 1.736 1 1 1136 . 19 1 1 A 119 119 ALA CB C 119 21.000 23.095 -2.095 1 1 1137 . 19 1 1 A 119 119 ALA N N 119 123.500 119.761 3.739 1 1 1138 . 19 1 1 A 120 120 LEU H H 120 8.170 8.586 -0.416 1 1 1139 . 19 1 1 A 120 120 LEU HA H 120 5.400 5.191 0.209 1 1 1149 . 19 1 1 A 120 120 LEU CA C 120 55.000 53.749 1.251 1 1 1150 . 19 1 1 A 120 120 LEU CB C 120 45.300 43.089 2.211 1 1 1154 . 19 1 1 A 120 120 LEU N N 120 123.500 120.727 2.773 1 1 1155 . 19 1 1 A 121 121 THR H H 121 9.450 9.103 0.347 1 1 1156 . 19 1 1 A 121 121 THR HA H 121 4.520 5.016 -0.496 1 1 1161 . 19 1 1 A 121 121 THR CA C 121 58.700 60.106 -1.406 1 1 1162 . 19 1 1 A 121 121 THR CB C 121 72.100 71.497 0.603 1 1 1164 . 19 1 1 A 121 121 THR N N 121 117.400 115.156 2.244 1 1 1165 . 19 1 1 A 122 122 ALA H H 122 8.620 8.608 0.012 1 1 1166 . 19 1 1 A 122 122 ALA HA H 122 5.370 5.563 -0.193 1 1 1170 . 19 1 1 A 122 122 ALA CA C 122 50.400 49.676 0.724 1 1 1171 . 19 1 1 A 122 122 ALA CB C 122 21.900 21.996 -0.096 1 1 1172 . 19 1 1 A 122 122 ALA N N 122 123.400 125.035 -1.635 1 1 1173 . 19 1 1 A 123 123 TRP H H 123 8.740 9.453 -0.713 1 1 1174 . 19 1 1 A 123 123 TRP HA H 123 5.090 5.324 -0.234 1 1 1183 . 19 1 1 A 123 123 TRP CA C 123 56.700 56.384 0.316 1 1 1184 . 19 1 1 A 123 123 TRP CB C 123 33.300 33.333 -0.033 1 1 1190 . 19 1 1 A 123 123 TRP N N 123 118.700 121.080 -2.380 1 1 1192 . 19 1 1 A 124 124 ALA H H 124 9.570 9.126 0.444 1 1 1193 . 19 1 1 A 124 124 ALA HA H 124 5.360 5.416 -0.056 1 1 1197 . 19 1 1 A 124 124 ALA CA C 124 50.300 50.173 0.127 1 1 1198 . 19 1 1 A 124 124 ALA CB C 124 22.600 20.700 1.900 1 1 1199 . 19 1 1 A 124 124 ALA N N 124 123.200 125.783 -2.583 1 1 1200 . 19 1 1 A 125 125 LEU H H 125 9.830 8.985 0.845 1 1 1201 . 19 1 1 A 125 125 LEU HA H 125 4.190 4.254 -0.064 1 1 1211 . 19 1 1 A 125 125 LEU CA C 125 54.700 54.926 -0.226 1 1 1212 . 19 1 1 A 125 125 LEU CB C 125 44.000 43.370 0.630 1 1 1216 . 19 1 1 A 125 125 LEU N N 125 125.000 125.671 -0.671 1 1 1217 . 19 1 1 A 126 126 ALA H H 126 8.310 8.575 -0.265 1 1 1218 . 19 1 1 A 126 126 ALA HA H 126 4.460 4.662 -0.202 1 1 1222 . 19 1 1 A 126 126 ALA CA C 126 51.100 50.772 0.328 1 1 1223 . 19 1 1 A 126 126 ALA CB C 126 18.300 17.857 0.443 1 1 1224 . 19 1 1 A 126 126 ALA N N 126 127.000 129.256 -2.256 1 1 1225 . 19 1 1 A 127 127 PRO HA H 127 4.340 4.356 -0.016 1 1 1232 . 19 1 1 A 127 127 PRO CA C 127 65.400 65.252 0.148 1 1 1233 . 19 1 1 A 127 127 PRO CB C 127 31.800 31.757 0.043 1 1 1236 . 19 1 1 A 128 128 ASP H H 128 7.680 7.811 -0.131 1 1 1237 . 19 1 1 A 128 128 ASP HA H 128 4.550 4.810 -0.260 1 1 1240 . 19 1 1 A 128 128 ASP CA C 128 52.900 53.263 -0.363 1 1 1241 . 19 1 1 A 128 128 ASP CB C 128 39.600 40.642 -1.042 1 1 1242 . 19 1 1 A 128 128 ASP N N 128 113.100 116.574 -3.474 1 1 1243 . 19 1 1 A 129 129 ARG H H 129 8.500 8.298 0.202 1 1 1244 . 19 1 1 A 129 129 ARG HA H 129 3.500 3.806 -0.306 1 1 1251 . 19 1 1 A 129 129 ARG CA C 129 57.600 57.005 0.595 1 1 1252 . 19 1 1 A 129 129 ARG CB C 129 26.900 27.774 -0.874 1 1 1255 . 19 1 1 A 129 129 ARG N N 129 113.100 119.406 -6.306 1 1 1256 . 19 1 1 A 130 130 SER H H 130 8.050 8.180 -0.130 1 1 1257 . 19 1 1 A 130 130 SER HA H 130 4.020 4.405 -0.385 1 1 1260 . 19 1 1 A 130 130 SER CA C 130 60.100 58.948 1.152 1 1 1261 . 19 1 1 A 130 130 SER CB C 130 63.600 64.181 -0.581 1 1 1262 . 19 1 1 A 130 130 SER N N 130 111.100 112.439 -1.339 1 1 1263 . 19 1 1 A 131 131 GLU H H 131 7.060 7.651 -0.591 1 1 1264 . 19 1 1 A 131 131 GLU HA H 131 4.420 4.456 -0.036 1 1 1269 . 19 1 1 A 131 131 GLU CA C 131 54.400 55.103 -0.703 1 1 1270 . 19 1 1 A 131 131 GLU CB C 131 31.800 32.058 -0.258 1 1 1272 . 19 1 1 A 131 131 GLU N N 131 114.400 118.793 -4.393 1 1 1273 . 19 1 1 A 132 132 PHE H H 132 8.740 8.518 0.222 1 1 1274 . 19 1 1 A 132 132 PHE HA H 132 5.390 5.466 -0.076 1 1 1282 . 19 1 1 A 132 132 PHE CA C 132 57.200 56.576 0.624 1 1 1283 . 19 1 1 A 132 132 PHE CB C 132 42.900 41.891 1.009 1 1 1287 . 19 1 1 A 132 132 PHE N N 132 117.300 117.150 0.150 1 1 1288 . 19 1 1 A 133 133 HIS H H 133 9.870 9.177 0.693 1 1 1289 . 19 1 1 A 133 133 HIS HA H 133 5.380 5.998 -0.618 1 1 1294 . 19 1 1 A 133 133 HIS CA C 133 53.300 53.738 -0.438 1 1 1295 . 19 1 1 A 133 133 HIS CB C 133 32.700 33.254 -0.554 1 1 1298 . 19 1 1 A 133 133 HIS N N 133 117.900 117.687 0.213 1 1 1299 . 19 1 1 A 134 134 ARG H H 134 9.080 8.776 0.304 1 1 1300 . 19 1 1 A 134 134 ARG HA H 134 3.500 4.061 -0.561 1 1 1307 . 19 1 1 A 134 134 ARG CA C 134 57.100 56.285 0.815 1 1 1308 . 19 1 1 A 134 134 ARG CB C 134 30.100 30.680 -0.580 1 1 1311 . 19 1 1 A 134 134 ARG N N 134 125.600 123.190 2.410 1 1 1312 . 19 1 1 A 135 135 GLU H H 135 8.410 8.757 -0.347 1 1 1313 . 19 1 1 A 135 135 GLU HA H 135 4.550 5.007 -0.457 1 1 1318 . 19 1 1 A 135 135 GLU CA C 135 54.000 54.463 -0.463 1 1 1319 . 19 1 1 A 135 135 GLU CB C 135 33.000 33.534 -0.534 1 1 1321 . 19 1 1 A 135 135 GLU N N 135 128.500 125.159 3.341 1 1 1322 . 19 1 1 A 136 136 ASP H H 136 8.480 8.771 -0.291 1 1 1323 . 19 1 1 A 136 136 ASP HA H 136 4.460 5.202 -0.742 1 1 1326 . 19 1 1 A 136 136 ASP CA C 136 54.700 53.061 1.639 1 1 1327 . 19 1 1 A 136 136 ASP CB C 136 41.500 43.111 -1.611 1 1 1328 . 19 1 1 A 136 136 ASP N N 136 124.300 124.357 -0.057 1 1 1329 . 19 1 1 A 137 137 ILE H H 137 8.340 8.454 -0.114 1 1 1330 . 19 1 1 A 137 137 ILE HA H 137 4.570 4.377 0.193 1 1 1340 . 19 1 1 A 137 137 ILE CA C 137 61.400 60.916 0.484 1 1 1341 . 19 1 1 A 137 137 ILE CB C 137 38.600 37.661 0.939 1 1 1345 . 19 1 1 A 137 137 ILE N N 137 121.100 122.518 -1.418 1 1 1346 . 19 1 1 A 138 138 VAL H H 138 8.730 8.775 -0.045 1 1 1347 . 19 1 1 A 138 138 VAL HA H 138 4.570 4.870 -0.300 1 1 1355 . 19 1 1 A 138 138 VAL CA C 138 59.800 59.359 0.441 1 1 1356 . 19 1 1 A 138 138 VAL CB C 138 34.700 34.030 0.670 1 1 1359 . 19 1 1 A 138 138 VAL N N 138 125.100 123.549 1.551 1 1 1360 . 19 1 1 A 139 139 ARG H H 139 8.390 8.375 0.015 1 1 1361 . 19 1 1 A 139 139 ARG HA H 139 5.210 5.074 0.136 1 1 1368 . 19 1 1 A 139 139 ARG CA C 139 53.500 53.431 0.069 1 1 1369 . 19 1 1 A 139 139 ARG CB C 139 30.100 30.201 -0.101 1 1 1372 . 19 1 1 A 139 139 ARG N N 139 122.800 123.306 -0.506 1 1 1373 . 19 1 1 A 140 140 PRO HA H 140 4.380 4.457 -0.077 1 1 1380 . 19 1 1 A 140 140 PRO CA C 140 62.400 62.595 -0.195 1 1 1381 . 19 1 1 A 140 140 PRO CB C 140 32.000 32.115 -0.115 1 1 1384 . 19 1 1 A 141 141 ASP H H 141 8.520 8.435 0.085 1 1 1385 . 19 1 1 A 141 141 ASP HA H 141 4.780 4.641 0.139 1 1 1388 . 19 1 1 A 141 141 ASP CA C 141 54.500 52.958 1.542 1 1 1389 . 19 1 1 A 141 141 ASP CB C 141 40.600 40.334 0.266 1 1 1390 . 19 1 1 A 141 141 ASP N N 141 122.200 120.960 1.240 1 1 1391 . 19 1 1 A 142 142 PRO HA H 142 4.380 4.545 -0.165 1 1 1398 . 19 1 1 A 142 142 PRO CA C 142 63.500 63.229 0.271 1 1 1399 . 19 1 1 A 142 142 PRO CB C 142 32.000 30.313 1.687 1 1 1402 . 19 1 1 A 143 143 GLU H H 143 8.460 8.476 -0.016 1 1 1403 . 19 1 1 A 143 143 GLU HA H 143 4.260 4.459 -0.199 1 1 1408 . 19 1 1 A 143 143 GLU CA C 143 56.000 56.588 -0.588 1 1 1409 . 19 1 1 A 143 143 GLU CB C 143 30.000 32.266 -2.266 1 1 1411 . 19 1 1 A 143 143 GLU N N 143 119.500 120.443 -0.943 1 1 1412 . 19 1 1 A 144 144 ALA H H 144 8.030 7.290 0.740 1 1 1413 . 19 1 1 A 144 144 ALA HA H 144 4.590 4.471 0.119 1 1 1417 . 19 1 1 A 144 144 ALA CA C 144 50.300 50.709 -0.409 1 1 1418 . 19 1 1 A 144 144 ALA CB C 144 18.300 18.957 -0.657 1 1 1419 . 19 1 1 A 144 144 ALA N N 144 125.800 122.819 2.981 1 1 1420 . 19 1 1 A 145 145 PRO HA H 145 4.400 4.610 -0.210 1 1 1427 . 19 1 1 A 145 145 PRO CA C 145 62.900 63.066 -0.166 1 1 1428 . 19 1 1 A 145 145 PRO CB C 145 32.000 32.443 -0.443 1 1 1431 . 19 1 1 A 146 146 LEU H H 146 8.330 8.828 -0.498 1 1 1432 . 19 1 1 A 146 146 LEU HA H 146 4.230 4.249 -0.019 1 1 1442 . 19 1 1 A 146 146 LEU CA C 146 55.100 57.396 -2.296 1 1 1443 . 19 1 1 A 146 146 LEU CB C 146 42.200 42.146 0.054 1 1 1447 . 19 1 1 A 146 146 LEU N N 146 122.100 120.407 1.693 1 1 1448 . 19 1 1 A 147 147 GLU H H 147 8.300 8.233 0.067 1 1 1449 . 19 1 1 A 147 147 GLU HA H 147 4.220 4.605 -0.385 1 1 1454 . 19 1 1 A 147 147 GLU CA C 147 56.200 55.429 0.771 1 1 1455 . 19 1 1 A 147 147 GLU CB C 147 30.300 31.292 -0.992 1 1 13 . 20 1 1 A 2 2 LYS H H 2 9.020 8.439 0.581 1 1 14 . 20 1 1 A 2 2 LYS HA H 2 5.640 5.373 0.267 1 1 23 . 20 1 1 A 2 2 LYS CA C 2 53.700 55.520 -1.820 1 1 24 . 20 1 1 A 2 2 LYS CB C 2 34.900 33.337 1.563 1 1 28 . 20 1 1 A 2 2 LYS N N 2 125.700 119.281 6.419 1 1 29 . 20 1 1 A 3 3 THR H H 3 8.850 8.809 0.041 1 1 30 . 20 1 1 A 3 3 THR HA H 3 4.660 4.701 -0.041 1 1 36 . 20 1 1 A 3 3 THR CA C 3 61.600 60.287 1.313 1 1 37 . 20 1 1 A 3 3 THR CB C 3 68.200 70.227 -2.027 1 1 39 . 20 1 1 A 3 3 THR N N 3 117.000 117.091 -0.091 1 1 40 . 20 1 1 A 4 4 THR H H 4 8.100 8.452 -0.352 1 1 41 . 20 1 1 A 4 4 THR HA H 4 4.790 4.917 -0.127 1 1 46 . 20 1 1 A 4 4 THR CA C 4 58.500 59.397 -0.897 1 1 47 . 20 1 1 A 4 4 THR CB C 4 68.400 69.471 -1.071 1 1 49 . 20 1 1 A 4 4 THR N N 4 110.200 116.417 -6.217 1 1 50 . 20 1 1 A 5 5 PRO HA H 5 4.110 4.274 -0.164 1 1 57 . 20 1 1 A 5 5 PRO CA C 5 65.300 65.237 0.063 1 1 58 . 20 1 1 A 5 5 PRO CB C 5 31.800 31.786 0.014 1 1 61 . 20 1 1 A 6 6 ASP H H 6 8.530 8.313 0.217 1 1 62 . 20 1 1 A 6 6 ASP HA H 6 4.350 4.386 -0.036 1 1 65 . 20 1 1 A 6 6 ASP CA C 6 56.300 57.053 -0.753 1 1 66 . 20 1 1 A 6 6 ASP CB C 6 39.500 41.123 -1.623 1 1 67 . 20 1 1 A 6 6 ASP N N 6 114.600 117.287 -2.687 1 1 68 . 20 1 1 A 7 7 ILE H H 7 7.270 7.578 -0.308 1 1 69 . 20 1 1 A 7 7 ILE HA H 7 3.620 3.621 -0.001 1 1 79 . 20 1 1 A 7 7 ILE CA C 7 61.900 65.484 -3.584 1 1 80 . 20 1 1 A 7 7 ILE CB C 7 34.900 37.729 -2.829 1 1 84 . 20 1 1 A 7 7 ILE N N 7 121.700 119.621 2.079 1 1 85 . 20 1 1 A 8 8 LEU H H 8 6.960 7.823 -0.863 1 1 86 . 20 1 1 A 8 8 LEU HA H 8 3.710 3.811 -0.101 1 1 96 . 20 1 1 A 8 8 LEU CA C 8 57.800 58.049 -0.249 1 1 97 . 20 1 1 A 8 8 LEU CB C 8 39.900 41.172 -1.272 1 1 101 . 20 1 1 A 8 8 LEU N N 8 117.200 119.706 -2.506 1 1 102 . 20 1 1 A 9 9 ASP H H 9 8.220 8.311 -0.091 1 1 103 . 20 1 1 A 9 9 ASP HA H 9 4.330 4.202 0.128 1 1 106 . 20 1 1 A 9 9 ASP CA C 9 57.600 57.885 -0.285 1 1 107 . 20 1 1 A 9 9 ASP CB C 9 40.100 41.088 -0.988 1 1 108 . 20 1 1 A 9 9 ASP N N 9 117.600 119.282 -1.682 1 1 109 . 20 1 1 A 10 10 GLN H H 10 7.630 7.964 -0.334 1 1 110 . 20 1 1 A 10 10 GLN HA H 10 3.850 3.815 0.035 1 1 117 . 20 1 1 A 10 10 GLN CA C 10 59.200 58.623 0.577 1 1 118 . 20 1 1 A 10 10 GLN CB C 10 29.300 28.292 1.008 1 1 120 . 20 1 1 A 10 10 GLN N N 10 118.700 117.865 0.835 1 1 122 . 20 1 1 A 11 11 ILE H H 11 7.590 8.196 -0.606 1 1 123 . 20 1 1 A 11 11 ILE HA H 11 2.960 3.553 -0.593 1 1 133 . 20 1 1 A 11 11 ILE CA C 11 65.800 65.433 0.367 1 1 134 . 20 1 1 A 11 11 ILE CB C 11 37.500 37.614 -0.114 1 1 138 . 20 1 1 A 11 11 ILE N N 11 121.700 121.109 0.591 1 1 139 . 20 1 1 A 12 12 ARG H H 12 7.720 7.956 -0.236 1 1 140 . 20 1 1 A 12 12 ARG HA H 12 3.610 3.961 -0.351 1 1 147 . 20 1 1 A 12 12 ARG CA C 12 61.300 59.664 1.636 1 1 148 . 20 1 1 A 12 12 ARG CB C 12 30.100 30.034 0.066 1 1 151 . 20 1 1 A 12 12 ARG N N 12 118.400 119.824 -1.424 1 1 152 . 20 1 1 A 13 13 VAL H H 13 8.480 8.032 0.448 1 1 153 . 20 1 1 A 13 13 VAL HA H 13 3.640 3.551 0.089 1 1 161 . 20 1 1 A 13 13 VAL CA C 13 66.400 66.469 -0.069 1 1 162 . 20 1 1 A 13 13 VAL CB C 13 31.600 31.563 0.037 1 1 165 . 20 1 1 A 13 13 VAL N N 13 118.400 119.720 -1.320 1 1 166 . 20 1 1 A 14 14 HIS H H 14 7.790 8.315 -0.525 1 1 167 . 20 1 1 A 14 14 HIS HA H 14 4.620 4.363 0.257 1 1 172 . 20 1 1 A 14 14 HIS CA C 14 57.500 58.276 -0.776 1 1 173 . 20 1 1 A 14 14 HIS CB C 14 31.100 28.564 2.536 1 1 176 . 20 1 1 A 14 14 HIS N N 14 119.600 117.458 2.142 1 1 177 . 20 1 1 A 15 15 GLY H H 15 8.290 8.494 -0.204 1 1 178 . 20 1 1 A 15 15 GLY HA2 H 15 3.400 3.754 -0.354 1 1 179 . 20 1 1 A 15 15 GLY HA3 H 15 3.620 3.841 -0.221 1 1 180 . 20 1 1 A 15 15 GLY CA C 15 47.800 47.324 0.476 1 1 181 . 20 1 1 A 15 15 GLY N N 15 104.200 107.544 -3.344 1 1 182 . 20 1 1 A 16 16 ALA H H 16 8.650 7.804 0.846 1 1 183 . 20 1 1 A 16 16 ALA HA H 16 3.940 3.911 0.029 1 1 187 . 20 1 1 A 16 16 ALA CA C 16 55.500 54.475 1.025 1 1 188 . 20 1 1 A 16 16 ALA CB C 16 18.600 18.153 0.447 1 1 189 . 20 1 1 A 16 16 ALA N N 16 125.700 124.987 0.713 1 1 190 . 20 1 1 A 17 17 ASP H H 17 9.020 8.413 0.607 1 1 191 . 20 1 1 A 17 17 ASP HA H 17 4.420 4.474 -0.054 1 1 194 . 20 1 1 A 17 17 ASP CA C 17 56.700 56.834 -0.134 1 1 195 . 20 1 1 A 17 17 ASP CB C 17 41.300 41.150 0.150 1 1 196 . 20 1 1 A 17 17 ASP N N 17 119.300 119.110 0.190 1 1 197 . 20 1 1 A 18 18 ALA H H 18 8.210 7.759 0.451 1 1 198 . 20 1 1 A 18 18 ALA HA H 18 4.180 4.166 0.014 1 1 202 . 20 1 1 A 18 18 ALA CA C 18 53.100 55.065 -1.965 1 1 203 . 20 1 1 A 18 18 ALA CB C 18 19.000 18.580 0.420 1 1 204 . 20 1 1 A 18 18 ALA N N 18 118.300 120.420 -2.120 1 1 205 . 20 1 1 A 19 19 TYR H H 19 7.080 7.623 -0.543 1 1 206 . 20 1 1 A 19 19 TYR HA H 19 4.190 4.591 -0.401 1 1 213 . 20 1 1 A 19 19 TYR CA C 19 58.300 57.303 0.997 1 1 214 . 20 1 1 A 19 19 TYR CB C 19 39.100 38.108 0.992 1 1 217 . 20 1 1 A 19 19 TYR N N 19 118.200 117.800 0.400 1 1 218 . 20 1 1 A 20 20 PRO HA H 20 2.690 4.444 -1.754 1 1 225 . 20 1 1 A 20 20 PRO CA C 20 63.300 63.463 -0.163 1 1 226 . 20 1 1 A 20 20 PRO CB C 20 33.500 32.220 1.280 1 1 229 . 20 1 1 A 21 21 GLU H H 21 8.660 7.635 1.025 1 1 230 . 20 1 1 A 21 21 GLU HA H 21 4.420 4.432 -0.012 1 1 235 . 20 1 1 A 21 21 GLU CA C 21 55.300 55.782 -0.482 1 1 236 . 20 1 1 A 21 21 GLU CB C 21 30.400 30.906 -0.506 1 1 238 . 20 1 1 A 21 21 GLU N N 21 124.800 120.062 4.738 1 1 239 . 20 1 1 A 22 22 GLU H H 22 8.290 8.556 -0.266 1 1 240 . 20 1 1 A 22 22 GLU HA H 22 3.990 4.509 -0.519 1 1 245 . 20 1 1 A 22 22 GLU CA C 22 56.400 56.338 0.062 1 1 246 . 20 1 1 A 22 22 GLU CB C 22 30.900 30.822 0.078 1 1 248 . 20 1 1 A 22 22 GLU N N 22 119.700 119.813 -0.113 1 1 249 . 20 1 1 A 23 23 GLY H H 23 8.770 8.526 0.244 1 1 250 . 20 1 1 A 23 23 GLY HA2 H 23 2.430 4.184 -1.754 1 1 251 . 20 1 1 A 23 23 GLY HA3 H 23 4.270 4.245 0.025 1 1 252 . 20 1 1 A 23 23 GLY CA C 23 42.900 44.988 -2.088 1 1 253 . 20 1 1 A 23 23 GLY N N 23 112.400 110.361 2.039 1 1 254 . 20 1 1 A 24 24 CYS H H 24 8.580 7.931 0.649 1 1 255 . 20 1 1 A 24 24 CYS HA H 24 4.630 3.923 0.707 1 1 258 . 20 1 1 A 24 24 CYS CA C 24 54.900 59.041 -4.141 1 1 259 . 20 1 1 A 24 24 CYS CB C 24 31.300 27.225 4.075 1 1 260 . 20 1 1 A 24 24 CYS N N 24 118.100 119.314 -1.214 1 1 261 . 20 1 1 A 25 25 GLY H H 25 6.730 7.391 -0.661 1 1 262 . 20 1 1 A 25 25 GLY HA2 H 25 3.650 4.168 -0.518 1 1 263 . 20 1 1 A 25 25 GLY HA3 H 25 4.030 4.239 -0.209 1 1 264 . 20 1 1 A 25 25 GLY CA C 25 45.900 44.596 1.304 1 1 265 . 20 1 1 A 25 25 GLY N N 25 104.600 107.674 -3.074 1 1 266 . 20 1 1 A 26 26 PHE H H 26 9.350 8.793 0.557 1 1 267 . 20 1 1 A 26 26 PHE HA H 26 5.130 5.455 -0.325 1 1 275 . 20 1 1 A 26 26 PHE CA C 26 56.900 57.105 -0.205 1 1 276 . 20 1 1 A 26 26 PHE CB C 26 43.300 42.694 0.606 1 1 280 . 20 1 1 A 26 26 PHE N N 26 114.900 119.917 -5.017 1 1 281 . 20 1 1 A 27 27 LEU H H 27 8.320 9.515 -1.195 1 1 282 . 20 1 1 A 27 27 LEU HA H 27 4.590 5.208 -0.618 1 1 292 . 20 1 1 A 27 27 LEU CA C 27 52.900 53.751 -0.851 1 1 293 . 20 1 1 A 27 27 LEU CB C 27 41.200 43.290 -2.090 1 1 297 . 20 1 1 A 27 27 LEU N N 27 119.100 122.829 -3.729 1 1 298 . 20 1 1 A 28 28 LEU H H 28 9.050 9.100 -0.050 1 1 299 . 20 1 1 A 28 28 LEU HA H 28 5.390 5.298 0.092 1 1 309 . 20 1 1 A 28 28 LEU CA C 28 51.900 53.348 -1.448 1 1 310 . 20 1 1 A 28 28 LEU CB C 28 42.900 44.030 -1.130 1 1 314 . 20 1 1 A 28 28 LEU N N 28 123.500 124.455 -0.955 1 1 315 . 20 1 1 A 29 29 GLY H H 29 9.950 8.542 1.408 1 1 316 . 20 1 1 A 29 29 GLY HA2 H 29 5.270 4.329 0.941 1 1 317 . 20 1 1 A 29 29 GLY HA3 H 29 3.900 4.332 -0.432 1 1 318 . 20 1 1 A 29 29 GLY CA C 29 46.700 46.218 0.482 1 1 319 . 20 1 1 A 29 29 GLY N N 29 112.400 109.918 2.482 1 1 320 . 20 1 1 A 30 30 THR H H 30 8.810 8.375 0.435 1 1 321 . 20 1 1 A 30 30 THR HA H 30 4.810 5.882 -1.072 1 1 326 . 20 1 1 A 30 30 THR CA C 30 59.900 59.540 0.360 1 1 327 . 20 1 1 A 30 30 THR CB C 30 72.200 72.402 -0.202 1 1 329 . 20 1 1 A 30 30 THR N N 30 116.000 116.135 -0.135 1 1 330 . 20 1 1 A 31 31 VAL H H 31 8.530 8.366 0.164 1 1 331 . 20 1 1 A 31 31 VAL HA H 31 4.830 4.543 0.287 1 1 339 . 20 1 1 A 31 31 VAL CA C 31 61.900 61.724 0.176 1 1 340 . 20 1 1 A 31 31 VAL CB C 31 32.200 32.133 0.067 1 1 343 . 20 1 1 A 31 31 VAL N N 31 124.200 124.231 -0.031 1 1 344 . 20 1 1 A 32 32 THR H H 32 9.040 8.860 0.180 1 1 345 . 20 1 1 A 32 32 THR HA H 32 4.580 4.609 -0.029 1 1 350 . 20 1 1 A 32 32 THR CA C 32 61.200 60.782 0.418 1 1 351 . 20 1 1 A 32 32 THR CB C 32 70.700 71.499 -0.799 1 1 353 . 20 1 1 A 32 32 THR N N 32 118.900 120.501 -1.601 1 1 354 . 20 1 1 A 33 33 ASP H H 33 8.980 8.924 0.056 1 1 355 . 20 1 1 A 33 33 ASP HA H 33 4.400 4.561 -0.161 1 1 358 . 20 1 1 A 33 33 ASP CA C 33 56.800 55.821 0.979 1 1 359 . 20 1 1 A 33 33 ASP CB C 33 40.100 40.730 -0.630 1 1 360 . 20 1 1 A 33 33 ASP N N 33 121.100 120.738 0.362 1 1 361 . 20 1 1 A 34 34 ASP H H 34 7.960 7.876 0.084 1 1 362 . 20 1 1 A 34 34 ASP HA H 34 4.640 4.742 -0.102 1 1 365 . 20 1 1 A 34 34 ASP CA C 34 53.500 54.295 -0.795 1 1 366 . 20 1 1 A 34 34 ASP CB C 34 40.400 41.902 -1.502 1 1 367 . 20 1 1 A 34 34 ASP N N 34 115.400 117.838 -2.438 1 1 368 . 20 1 1 A 35 35 GLY H H 35 8.080 7.414 0.666 1 1 369 . 20 1 1 A 35 35 GLY HA2 H 35 3.590 4.035 -0.445 1 1 370 . 20 1 1 A 35 35 GLY HA3 H 35 4.200 4.047 0.153 1 1 371 . 20 1 1 A 35 35 GLY CA C 35 45.400 44.975 0.425 1 1 372 . 20 1 1 A 35 35 GLY N N 35 108.400 107.704 0.696 1 1 373 . 20 1 1 A 36 36 ASP H H 36 7.690 7.905 -0.215 1 1 374 . 20 1 1 A 36 36 ASP HA H 36 4.790 4.743 0.047 1 1 377 . 20 1 1 A 36 36 ASP CA C 36 51.900 54.480 -2.580 1 1 378 . 20 1 1 A 36 36 ASP CB C 36 42.300 41.818 0.482 1 1 379 . 20 1 1 A 36 36 ASP N N 36 120.100 120.994 -0.894 1 1 380 . 20 1 1 A 37 37 ASN H H 37 8.920 8.784 0.136 1 1 381 . 20 1 1 A 37 37 ASN HA H 37 5.180 5.415 -0.235 1 1 386 . 20 1 1 A 37 37 ASN CA C 37 52.900 52.049 0.851 1 1 387 . 20 1 1 A 37 37 ASN CB C 37 38.800 41.050 -2.250 1 1 388 . 20 1 1 A 37 37 ASN N N 37 119.000 119.033 -0.033 1 1 390 . 20 1 1 A 38 38 ARG H H 38 9.480 8.942 0.538 1 1 391 . 20 1 1 A 38 38 ARG HA H 38 5.310 5.420 -0.110 1 1 398 . 20 1 1 A 38 38 ARG CA C 38 53.500 54.608 -1.108 1 1 399 . 20 1 1 A 38 38 ARG CB C 38 31.000 33.374 -2.374 1 1 402 . 20 1 1 A 38 38 ARG N N 38 126.900 122.599 4.301 1 1 403 . 20 1 1 A 39 39 VAL H H 39 8.810 9.109 -0.299 1 1 404 . 20 1 1 A 39 39 VAL HA H 39 4.150 4.325 -0.175 1 1 412 . 20 1 1 A 39 39 VAL CA C 39 62.800 61.593 1.207 1 1 413 . 20 1 1 A 39 39 VAL CB C 39 33.100 33.354 -0.254 1 1 416 . 20 1 1 A 39 39 VAL N N 39 125.700 123.512 2.188 1 1 417 . 20 1 1 A 40 40 ALA H H 40 9.680 8.779 0.901 1 1 418 . 20 1 1 A 40 40 ALA HA H 40 4.690 4.583 0.107 1 1 422 . 20 1 1 A 40 40 ALA CA C 40 51.300 52.617 -1.317 1 1 423 . 20 1 1 A 40 40 ALA CB C 40 22.700 21.099 1.601 1 1 424 . 20 1 1 A 40 40 ALA N N 40 102.300 129.855 -27.555 1 1 425 . 20 1 1 A 41 41 ALA H H 41 8.370 7.962 0.408 1 1 426 . 20 1 1 A 41 41 ALA HA H 41 4.530 4.932 -0.402 1 1 430 . 20 1 1 A 41 41 ALA CA C 41 51.700 51.332 0.368 1 1 431 . 20 1 1 A 41 41 ALA CB C 41 22.200 23.282 -1.082 1 1 432 . 20 1 1 A 41 41 ALA N N 41 120.200 117.753 2.447 1 1 433 . 20 1 1 A 42 42 LEU H H 42 8.690 8.669 0.021 1 1 434 . 20 1 1 A 42 42 LEU HA H 42 5.320 5.185 0.135 1 1 444 . 20 1 1 A 42 42 LEU CA C 42 53.500 53.556 -0.056 1 1 445 . 20 1 1 A 42 42 LEU CB C 42 46.300 45.642 0.658 1 1 449 . 20 1 1 A 42 42 LEU N N 42 118.300 119.621 -1.321 1 1 450 . 20 1 1 A 43 43 HIS H H 43 8.820 8.739 0.081 1 1 451 . 20 1 1 A 43 43 HIS HA H 43 4.870 5.331 -0.461 1 1 456 . 20 1 1 A 43 43 HIS CA C 43 56.300 54.532 1.768 1 1 457 . 20 1 1 A 43 43 HIS CB C 43 34.200 33.344 0.856 1 1 460 . 20 1 1 A 43 43 HIS N N 43 120.700 124.055 -3.355 1 1 461 . 20 1 1 A 44 44 ARG H H 44 8.580 8.676 -0.096 1 1 462 . 20 1 1 A 44 44 ARG HA H 44 4.420 4.914 -0.494 1 1 469 . 20 1 1 A 44 44 ARG CA C 44 57.400 54.224 3.176 1 1 470 . 20 1 1 A 44 44 ARG CB C 44 31.100 32.923 -1.823 1 1 473 . 20 1 1 A 44 44 ARG N N 44 128.300 126.713 1.587 1 1 474 . 20 1 1 A 45 45 ALA H H 45 8.580 8.071 0.509 1 1 475 . 20 1 1 A 45 45 ALA HA H 45 4.720 4.778 -0.058 1 1 479 . 20 1 1 A 45 45 ALA CA C 45 51.500 52.364 -0.864 1 1 480 . 20 1 1 A 45 45 ALA CB C 45 20.200 18.615 1.585 1 1 481 . 20 1 1 A 45 45 ALA N N 45 125.700 126.712 -1.012 1 1 482 . 20 1 1 A 46 46 THR H H 46 8.250 8.690 -0.440 1 1 483 . 20 1 1 A 46 46 THR HA H 46 4.270 5.099 -0.829 1 1 488 . 20 1 1 A 46 46 THR CA C 46 62.000 61.288 0.712 1 1 489 . 20 1 1 A 46 46 THR CB C 46 69.900 71.113 -1.213 1 1 491 . 20 1 1 A 46 46 THR N N 46 115.500 118.934 -3.434 1 1 492 . 20 1 1 A 47 47 ASN H H 47 8.590 8.770 -0.180 1 1 493 . 20 1 1 A 47 47 ASN HA H 47 4.620 5.519 -0.899 1 1 498 . 20 1 1 A 47 47 ASN CA C 47 53.400 52.153 1.247 1 1 499 . 20 1 1 A 47 47 ASN CB C 47 38.400 42.724 -4.324 1 1 500 . 20 1 1 A 47 47 ASN N N 47 122.400 121.293 1.107 1 1 502 . 20 1 1 A 50 50 SER H H 50 8.480 7.636 0.844 1 1 503 . 20 1 1 A 50 50 SER HA H 50 4.400 4.454 -0.054 1 1 506 . 20 1 1 A 50 50 SER CA C 50 58.900 59.881 -0.981 1 1 507 . 20 1 1 A 50 50 SER CB C 50 63.600 63.064 0.536 1 1 508 . 20 1 1 A 50 50 SER N N 50 116.600 115.203 1.397 1 1 509 . 20 1 1 A 51 51 GLU H H 51 8.510 8.943 -0.433 1 1 510 . 20 1 1 A 51 51 GLU HA H 51 4.300 4.452 -0.152 1 1 515 . 20 1 1 A 51 51 GLU CA C 51 56.800 56.997 -0.197 1 1 516 . 20 1 1 A 51 51 GLU CB C 51 29.900 28.981 0.919 1 1 518 . 20 1 1 A 51 51 GLU N N 51 121.800 124.269 -2.469 1 1 519 . 20 1 1 A 52 52 GLN H H 52 8.300 8.843 -0.543 1 1 520 . 20 1 1 A 52 52 GLN HA H 52 4.310 4.757 -0.447 1 1 527 . 20 1 1 A 52 52 GLN CA C 52 55.900 54.775 1.125 1 1 528 . 20 1 1 A 52 52 GLN CB C 52 29.000 29.273 -0.273 1 1 530 . 20 1 1 A 52 52 GLN N N 52 119.500 123.502 -4.002 1 1 532 . 20 1 1 A 53 53 ARG H H 53 8.350 8.892 -0.542 1 1 533 . 20 1 1 A 53 53 ARG HA H 53 4.310 4.296 0.014 1 1 540 . 20 1 1 A 53 53 ARG CA C 53 56.800 55.483 1.317 1 1 541 . 20 1 1 A 53 53 ARG CB C 53 30.700 28.900 1.800 1 1 544 . 20 1 1 A 53 53 ARG N N 53 121.000 126.880 -5.880 1 1 545 . 20 1 1 A 54 54 THR H H 54 8.140 8.600 -0.460 1 1 546 . 20 1 1 A 54 54 THR HA H 54 4.340 4.375 -0.035 1 1 551 . 20 1 1 A 54 54 THR CA C 54 61.900 62.010 -0.110 1 1 552 . 20 1 1 A 54 54 THR CB C 54 69.600 68.509 1.091 1 1 554 . 20 1 1 A 54 54 THR N N 54 113.100 118.929 -5.829 1 1 555 . 20 1 1 A 64 64 TYR H H 64 8.220 8.251 -0.031 1 1 556 . 20 1 1 A 64 64 TYR HA H 64 3.360 3.252 0.108 1 1 563 . 20 1 1 A 64 64 TYR CA C 64 61.600 61.284 0.316 1 1 564 . 20 1 1 A 64 64 TYR CB C 64 37.700 38.172 -0.472 1 1 567 . 20 1 1 A 64 64 TYR N N 64 120.700 121.119 -0.419 1 1 568 . 20 1 1 A 65 65 ARG H H 65 8.340 8.236 0.104 1 1 569 . 20 1 1 A 65 65 ARG HA H 65 3.930 3.716 0.214 1 1 576 . 20 1 1 A 65 65 ARG CA C 65 59.600 59.600 0.000 1 1 577 . 20 1 1 A 65 65 ARG CB C 65 30.100 29.774 0.326 1 1 580 . 20 1 1 A 65 65 ARG N N 65 119.200 118.208 0.992 1 1 581 . 20 1 1 A 66 66 ALA H H 66 7.790 7.975 -0.185 1 1 582 . 20 1 1 A 66 66 ALA HA H 66 4.090 4.077 0.013 1 1 586 . 20 1 1 A 66 66 ALA CA C 66 54.700 54.714 -0.014 1 1 587 . 20 1 1 A 66 66 ALA CB C 66 18.100 18.223 -0.123 1 1 588 . 20 1 1 A 66 66 ALA N N 66 121.900 122.021 -0.121 1 1 589 . 20 1 1 A 67 67 ALA H H 67 7.550 8.088 -0.538 1 1 590 . 20 1 1 A 67 67 ALA HA H 67 2.940 3.379 -0.439 1 1 594 . 20 1 1 A 67 67 ALA CA C 67 54.300 54.791 -0.491 1 1 595 . 20 1 1 A 67 67 ALA CB C 67 18.000 17.316 0.684 1 1 596 . 20 1 1 A 67 67 ALA N N 67 123.000 119.734 3.266 1 1 597 . 20 1 1 A 68 68 ASP H H 68 8.320 8.500 -0.180 1 1 598 . 20 1 1 A 68 68 ASP HA H 68 4.100 4.070 0.030 1 1 601 . 20 1 1 A 68 68 ASP CA C 68 56.800 56.865 -0.065 1 1 602 . 20 1 1 A 68 68 ASP CB C 68 41.400 40.954 0.446 1 1 603 . 20 1 1 A 68 68 ASP N N 68 118.100 118.222 -0.122 1 1 604 . 20 1 1 A 69 69 ALA H H 69 7.790 8.084 -0.294 1 1 605 . 20 1 1 A 69 69 ALA HA H 69 4.010 3.969 0.041 1 1 609 . 20 1 1 A 69 69 ALA CA C 69 55.000 55.059 -0.059 1 1 610 . 20 1 1 A 69 69 ALA CB C 69 17.600 18.109 -0.509 1 1 611 . 20 1 1 A 69 69 ALA N N 69 121.200 120.166 1.034 1 1 612 . 20 1 1 A 70 70 ALA H H 70 7.490 7.947 -0.457 1 1 613 . 20 1 1 A 70 70 ALA HA H 70 4.070 3.943 0.127 1 1 617 . 20 1 1 A 70 70 ALA CA C 70 54.500 54.870 -0.370 1 1 618 . 20 1 1 A 70 70 ALA CB C 70 17.900 18.217 -0.317 1 1 619 . 20 1 1 A 70 70 ALA N N 70 121.200 119.954 1.246 1 1 620 . 20 1 1 A 71 71 ALA H H 71 8.620 8.168 0.452 1 1 621 . 20 1 1 A 71 71 ALA HA H 71 3.660 3.971 -0.311 1 1 625 . 20 1 1 A 71 71 ALA CA C 71 55.300 55.346 -0.046 1 1 626 . 20 1 1 A 71 71 ALA CB C 71 17.800 18.125 -0.325 1 1 627 . 20 1 1 A 71 71 ALA N N 71 121.600 120.281 1.319 1 1 628 . 20 1 1 A 72 72 GLN H H 72 8.700 8.398 0.302 1 1 629 . 20 1 1 A 72 72 GLN HA H 72 4.080 4.031 0.049 1 1 636 . 20 1 1 A 72 72 GLN CA C 72 59.000 58.584 0.416 1 1 637 . 20 1 1 A 72 72 GLN CB C 72 28.000 28.390 -0.390 1 1 639 . 20 1 1 A 72 72 GLN N N 72 118.600 117.001 1.599 1 1 641 . 20 1 1 A 73 73 GLU H H 73 7.640 8.336 -0.696 1 1 642 . 20 1 1 A 73 73 GLU HA H 73 4.080 4.082 -0.002 1 1 647 . 20 1 1 A 73 73 GLU CA C 73 58.800 59.175 -0.375 1 1 648 . 20 1 1 A 73 73 GLU CB C 73 29.600 29.486 0.114 1 1 650 . 20 1 1 A 73 73 GLU N N 73 119.000 120.406 -1.406 1 1 651 . 20 1 1 A 74 74 GLN H H 74 7.400 7.723 -0.323 1 1 652 . 20 1 1 A 74 74 GLN HA H 74 4.470 4.358 0.112 1 1 659 . 20 1 1 A 74 74 GLN CA C 74 55.000 55.376 -0.376 1 1 660 . 20 1 1 A 74 74 GLN CB C 74 30.900 29.326 1.574 1 1 662 . 20 1 1 A 74 74 GLN N N 74 114.600 116.614 -2.014 1 1 664 . 20 1 1 A 75 75 GLY H H 75 7.830 8.131 -0.301 1 1 665 . 20 1 1 A 75 75 GLY HA2 H 75 3.950 3.912 0.038 1 1 666 . 20 1 1 A 75 75 GLY HA3 H 75 3.870 3.916 -0.046 1 1 667 . 20 1 1 A 75 75 GLY CA C 75 46.500 46.162 0.338 1 1 668 . 20 1 1 A 75 75 GLY N N 75 109.300 108.941 0.359 1 1 669 . 20 1 1 A 76 76 LEU H H 76 8.110 8.433 -0.323 1 1 670 . 20 1 1 A 76 76 LEU HA H 76 4.650 4.856 -0.206 1 1 680 . 20 1 1 A 76 76 LEU CA C 76 52.500 53.210 -0.710 1 1 681 . 20 1 1 A 76 76 LEU CB C 76 45.700 45.003 0.697 1 1 685 . 20 1 1 A 76 76 LEU N N 76 119.300 121.066 -1.766 1 1 686 . 20 1 1 A 77 77 ASP H H 77 8.990 9.683 -0.693 1 1 687 . 20 1 1 A 77 77 ASP HA H 77 5.120 5.272 -0.152 1 1 690 . 20 1 1 A 77 77 ASP CA C 77 52.600 52.534 0.066 1 1 691 . 20 1 1 A 77 77 ASP CB C 77 44.600 43.731 0.869 1 1 692 . 20 1 1 A 77 77 ASP N N 77 117.600 118.447 -0.847 1 1 693 . 20 1 1 A 78 78 VAL H H 78 9.070 8.934 0.136 1 1 694 . 20 1 1 A 78 78 VAL HA H 78 4.090 4.477 -0.387 1 1 702 . 20 1 1 A 78 78 VAL CA C 78 63.900 62.452 1.448 1 1 703 . 20 1 1 A 78 78 VAL CB C 78 30.900 31.953 -1.053 1 1 706 . 20 1 1 A 78 78 VAL N N 78 121.900 119.677 2.223 1 1 707 . 20 1 1 A 79 79 VAL H H 79 8.360 8.541 -0.181 1 1 708 . 20 1 1 A 79 79 VAL HA H 79 4.300 4.293 0.007 1 1 716 . 20 1 1 A 79 79 VAL CA C 79 59.500 62.361 -2.861 1 1 717 . 20 1 1 A 79 79 VAL CB C 79 32.600 32.646 -0.046 1 1 720 . 20 1 1 A 79 79 VAL N N 79 116.700 122.182 -5.482 1 1 721 . 20 1 1 A 80 80 GLY H H 80 6.970 7.708 -0.738 1 1 722 . 20 1 1 A 80 80 GLY HA2 H 80 4.380 4.204 0.176 1 1 723 . 20 1 1 A 80 80 GLY HA3 H 80 3.550 4.444 -0.894 1 1 724 . 20 1 1 A 80 80 GLY CA C 80 46.900 46.266 0.634 1 1 725 . 20 1 1 A 80 80 GLY N N 80 106.200 108.948 -2.748 1 1 726 . 20 1 1 A 81 81 VAL H H 81 8.510 8.430 0.080 1 1 727 . 20 1 1 A 81 81 VAL HA H 81 4.900 5.177 -0.277 1 1 735 . 20 1 1 A 81 81 VAL CA C 81 59.400 60.668 -1.268 1 1 736 . 20 1 1 A 81 81 VAL CB C 81 37.600 36.024 1.576 1 1 739 . 20 1 1 A 81 81 VAL N N 81 116.200 119.381 -3.181 1 1 740 . 20 1 1 A 82 82 TYR H H 82 8.370 8.662 -0.292 1 1 741 . 20 1 1 A 82 82 TYR HA H 82 6.000 6.312 -0.312 1 1 748 . 20 1 1 A 82 82 TYR CA C 82 54.900 55.323 -0.423 1 1 749 . 20 1 1 A 82 82 TYR CB C 82 42.800 42.078 0.722 1 1 752 . 20 1 1 A 82 82 TYR N N 82 118.100 121.805 -3.705 1 1 753 . 20 1 1 A 83 83 HIS H H 83 8.520 9.455 -0.935 1 1 754 . 20 1 1 A 83 83 HIS HA H 83 5.150 5.133 0.017 1 1 759 . 20 1 1 A 83 83 HIS CA C 83 54.900 54.158 0.742 1 1 760 . 20 1 1 A 83 83 HIS CB C 83 33.200 32.556 0.644 1 1 763 . 20 1 1 A 83 83 HIS N N 83 115.400 120.632 -5.232 1 1 764 . 20 1 1 A 84 84 SER H H 84 9.060 8.881 0.179 1 1 765 . 20 1 1 A 84 84 SER HA H 84 5.590 5.235 0.355 1 1 768 . 20 1 1 A 84 84 SER CA C 84 55.800 58.007 -2.207 1 1 769 . 20 1 1 A 84 84 SER CB C 84 65.500 64.609 0.891 1 1 770 . 20 1 1 A 84 84 SER N N 84 117.100 119.463 -2.363 1 1 771 . 20 1 1 A 85 85 HIS H H 85 8.980 9.206 -0.226 1 1 772 . 20 1 1 A 85 85 HIS HA H 85 4.830 4.950 -0.120 1 1 777 . 20 1 1 A 85 85 HIS CA C 85 50.400 53.948 -3.548 1 1 778 . 20 1 1 A 85 85 HIS CB C 85 32.000 31.885 0.115 1 1 781 . 20 1 1 A 85 85 HIS N N 85 117.600 123.319 -5.719 1 1 782 . 20 1 1 A 86 86 PRO HA H 86 5.080 4.739 0.341 1 1 789 . 20 1 1 A 86 86 PRO CA C 86 62.400 62.311 0.089 1 1 790 . 20 1 1 A 86 86 PRO CB C 86 32.400 33.453 -1.053 1 1 793 . 20 1 1 A 87 87 ASP H H 87 10.300 8.957 1.343 1 1 794 . 20 1 1 A 87 87 ASP HA H 87 4.320 4.494 -0.174 1 1 797 . 20 1 1 A 87 87 ASP CA C 87 56.600 56.888 -0.288 1 1 798 . 20 1 1 A 87 87 ASP CB C 87 39.600 40.838 -1.238 1 1 799 . 20 1 1 A 87 87 ASP N N 87 123.100 120.452 2.648 1 1 800 . 20 1 1 A 88 88 HIS H H 88 7.500 7.845 -0.345 1 1 801 . 20 1 1 A 88 88 HIS HA H 88 5.050 4.592 0.458 1 1 806 . 20 1 1 A 88 88 HIS CA C 88 54.700 55.098 -0.398 1 1 807 . 20 1 1 A 88 88 HIS CB C 88 32.400 29.240 3.160 1 1 810 . 20 1 1 A 88 88 HIS N N 88 115.000 118.517 -3.517 1 1 811 . 20 1 1 A 89 89 PRO HA H 89 4.370 4.462 -0.092 1 1 818 . 20 1 1 A 89 89 PRO CA C 89 62.700 63.058 -0.358 1 1 819 . 20 1 1 A 89 89 PRO CB C 89 31.600 32.604 -1.004 1 1 822 . 20 1 1 A 90 90 ALA H H 90 8.020 8.394 -0.374 1 1 823 . 20 1 1 A 90 90 ALA HA H 90 4.290 4.410 -0.120 1 1 827 . 20 1 1 A 90 90 ALA CA C 90 50.800 52.493 -1.693 1 1 828 . 20 1 1 A 90 90 ALA CB C 90 16.600 19.536 -2.936 1 1 829 . 20 1 1 A 90 90 ALA N N 90 125.800 123.570 2.230 1 1 830 . 20 1 1 A 91 91 ARG H H 91 7.990 7.424 0.566 1 1 831 . 20 1 1 A 91 91 ARG HA H 91 4.300 4.410 -0.110 1 1 838 . 20 1 1 A 91 91 ARG CA C 91 53.100 53.944 -0.844 1 1 839 . 20 1 1 A 91 91 ARG CB C 91 31.800 31.075 0.725 1 1 842 . 20 1 1 A 91 91 ARG N N 91 121.900 116.624 5.276 1 1 843 . 20 1 1 A 92 92 PRO HA H 92 4.070 4.199 -0.129 1 1 850 . 20 1 1 A 92 92 PRO CA C 92 62.300 62.742 -0.442 1 1 851 . 20 1 1 A 92 92 PRO CB C 92 32.500 31.087 1.413 1 1 854 . 20 1 1 A 93 93 SER H H 93 9.960 8.645 1.315 1 1 855 . 20 1 1 A 93 93 SER HA H 93 4.630 4.573 0.057 1 1 858 . 20 1 1 A 93 93 SER CA C 93 56.300 56.452 -0.152 1 1 859 . 20 1 1 A 93 93 SER CB C 93 66.500 65.308 1.192 1 1 860 . 20 1 1 A 93 93 SER N N 93 121.800 117.481 4.319 1 1 861 . 20 1 1 A 94 94 ALA H H 94 8.880 8.954 -0.074 1 1 862 . 20 1 1 A 94 94 ALA HA H 94 4.130 4.017 0.113 1 1 866 . 20 1 1 A 94 94 ALA CA C 94 55.400 55.662 -0.262 1 1 867 . 20 1 1 A 94 94 ALA CB C 94 18.000 18.083 -0.083 1 1 868 . 20 1 1 A 94 94 ALA N N 94 123.100 127.123 -4.023 1 1 869 . 20 1 1 A 95 95 THR H H 95 7.870 7.770 0.100 1 1 870 . 20 1 1 A 95 95 THR HA H 95 3.920 3.928 -0.008 1 1 875 . 20 1 1 A 95 95 THR CA C 95 65.700 66.445 -0.745 1 1 876 . 20 1 1 A 95 95 THR CB C 95 68.400 68.600 -0.200 1 1 878 . 20 1 1 A 95 95 THR N N 95 114.300 113.708 0.592 1 1 879 . 20 1 1 A 96 96 ASP H H 96 7.420 8.254 -0.834 1 1 880 . 20 1 1 A 96 96 ASP HA H 96 4.230 4.280 -0.050 1 1 883 . 20 1 1 A 96 96 ASP CA C 96 57.400 57.632 -0.232 1 1 884 . 20 1 1 A 96 96 ASP CB C 96 40.100 41.356 -1.256 1 1 885 . 20 1 1 A 96 96 ASP N N 96 121.000 121.088 -0.088 1 1 886 . 20 1 1 A 97 97 LEU H H 97 7.490 8.092 -0.602 1 1 887 . 20 1 1 A 97 97 LEU HA H 97 4.000 4.236 -0.236 1 1 897 . 20 1 1 A 97 97 LEU CA C 97 57.600 57.625 -0.025 1 1 898 . 20 1 1 A 97 97 LEU CB C 97 41.400 41.950 -0.550 1 1 902 . 20 1 1 A 97 97 LEU N N 97 118.900 120.403 -1.503 1 1 903 . 20 1 1 A 98 98 GLU H H 98 7.690 8.098 -0.408 1 1 904 . 20 1 1 A 98 98 GLU HA H 98 3.900 4.048 -0.148 1 1 909 . 20 1 1 A 98 98 GLU CA C 98 58.700 59.758 -1.058 1 1 910 . 20 1 1 A 98 98 GLU CB C 98 29.600 29.215 0.385 1 1 912 . 20 1 1 A 98 98 GLU N N 98 119.100 119.031 0.069 1 1 913 . 20 1 1 A 99 99 GLU H H 99 7.500 7.329 0.171 1 1 914 . 20 1 1 A 99 99 GLU HA H 99 4.200 4.333 -0.133 1 1 919 . 20 1 1 A 99 99 GLU CA C 99 56.100 56.750 -0.650 1 1 920 . 20 1 1 A 99 99 GLU CB C 99 30.000 29.817 0.183 1 1 922 . 20 1 1 A 99 99 GLU N N 99 114.300 117.453 -3.153 1 1 923 . 20 1 1 A 100 100 ALA H H 100 7.400 7.335 0.065 1 1 924 . 20 1 1 A 100 100 ALA HA H 100 4.620 4.103 0.517 1 1 928 . 20 1 1 A 100 100 ALA CA C 100 52.000 51.092 0.908 1 1 929 . 20 1 1 A 100 100 ALA CB C 100 18.100 17.052 1.048 1 1 930 . 20 1 1 A 100 100 ALA N N 100 125.900 123.579 2.321 1 1 931 . 20 1 1 A 101 101 THR H H 101 7.790 8.537 -0.747 1 1 932 . 20 1 1 A 101 101 THR HA H 101 4.050 4.433 -0.383 1 1 937 . 20 1 1 A 101 101 THR CA C 101 61.200 63.367 -2.167 1 1 938 . 20 1 1 A 101 101 THR CB C 101 68.900 69.845 -0.945 1 1 940 . 20 1 1 A 101 101 THR N N 101 111.700 117.453 -5.753 1 1 941 . 20 1 1 A 102 102 PHE H H 102 7.320 7.509 -0.189 1 1 942 . 20 1 1 A 102 102 PHE HA H 102 4.750 4.962 -0.212 1 1 950 . 20 1 1 A 102 102 PHE CA C 102 54.300 54.627 -0.327 1 1 951 . 20 1 1 A 102 102 PHE CB C 102 38.200 39.194 -0.994 1 1 955 . 20 1 1 A 102 102 PHE N N 102 120.200 115.417 4.783 1 1 956 . 20 1 1 A 103 103 PRO HA H 103 4.480 4.443 0.037 1 1 963 . 20 1 1 A 103 103 PRO CA C 103 64.100 63.772 0.328 1 1 964 . 20 1 1 A 103 103 PRO CB C 103 32.000 32.479 -0.479 1 1 967 . 20 1 1 A 104 104 GLY H H 104 8.920 8.949 -0.029 1 1 968 . 20 1 1 A 104 104 GLY HA2 H 104 4.270 3.916 0.354 1 1 969 . 20 1 1 A 104 104 GLY HA3 H 104 4.160 3.945 0.215 1 1 970 . 20 1 1 A 104 104 GLY CA C 104 45.600 45.263 0.337 1 1 971 . 20 1 1 A 104 104 GLY N N 104 109.600 111.336 -1.736 1 1 972 . 20 1 1 A 105 105 PHE H H 105 7.250 8.113 -0.863 1 1 973 . 20 1 1 A 105 105 PHE HA H 105 4.930 4.518 0.412 1 1 981 . 20 1 1 A 105 105 PHE CA C 105 54.900 58.154 -3.254 1 1 982 . 20 1 1 A 105 105 PHE CB C 105 39.400 39.645 -0.245 1 1 986 . 20 1 1 A 105 105 PHE N N 105 120.100 119.336 0.764 1 1 987 . 20 1 1 A 106 106 THR H H 106 8.110 8.333 -0.223 1 1 988 . 20 1 1 A 106 106 THR HA H 106 4.840 4.520 0.320 1 1 993 . 20 1 1 A 106 106 THR CA C 106 64.400 62.246 2.154 1 1 994 . 20 1 1 A 106 106 THR CB C 106 70.500 69.346 1.154 1 1 996 . 20 1 1 A 106 106 THR N N 106 118.600 117.363 1.237 1 1 997 . 20 1 1 A 107 107 TYR H H 107 9.660 8.921 0.739 1 1 998 . 20 1 1 A 107 107 TYR HA H 107 5.150 5.487 -0.337 1 1 1005 . 20 1 1 A 107 107 TYR CA C 107 56.900 57.164 -0.264 1 1 1006 . 20 1 1 A 107 107 TYR CB C 107 38.900 39.753 -0.853 1 1 1009 . 20 1 1 A 107 107 TYR N N 107 126.600 127.459 -0.859 1 1 1010 . 20 1 1 A 108 108 VAL H H 108 9.270 9.230 0.040 1 1 1011 . 20 1 1 A 108 108 VAL HA H 108 5.220 4.819 0.401 1 1 1019 . 20 1 1 A 108 108 VAL CA C 108 60.800 61.706 -0.906 1 1 1020 . 20 1 1 A 108 108 VAL CB C 108 33.500 33.241 0.259 1 1 1023 . 20 1 1 A 108 108 VAL N N 108 124.400 123.636 0.764 1 1 1024 . 20 1 1 A 109 109 ILE H H 109 9.300 9.604 -0.304 1 1 1025 . 20 1 1 A 109 109 ILE HA H 109 5.150 5.165 -0.015 1 1 1035 . 20 1 1 A 109 109 ILE CA C 109 58.000 59.514 -1.514 1 1 1036 . 20 1 1 A 109 109 ILE CB C 109 39.600 40.719 -1.119 1 1 1040 . 20 1 1 A 109 109 ILE N N 109 128.500 127.612 0.888 1 1 1041 . 20 1 1 A 110 110 VAL H H 110 7.910 8.966 -1.056 1 1 1042 . 20 1 1 A 110 110 VAL HA H 110 5.650 5.279 0.371 1 1 1050 . 20 1 1 A 110 110 VAL CA C 110 56.800 59.519 -2.719 1 1 1051 . 20 1 1 A 110 110 VAL CB C 110 35.400 34.595 0.805 1 1 1054 . 20 1 1 A 110 110 VAL N N 110 122.600 128.091 -5.491 1 1 1055 . 20 1 1 A 111 111 SER H H 111 9.390 9.319 0.071 1 1 1056 . 20 1 1 A 111 111 SER HA H 111 4.850 5.025 -0.175 1 1 1059 . 20 1 1 A 111 111 SER CA C 111 57.700 58.122 -0.422 1 1 1060 . 20 1 1 A 111 111 SER CB C 111 64.500 63.828 0.672 1 1 1061 . 20 1 1 A 111 111 SER N N 111 124.700 125.436 -0.736 1 1 1062 . 20 1 1 A 112 112 VAL H H 112 7.850 9.761 -1.911 1 1 1063 . 20 1 1 A 112 112 VAL HA H 112 4.530 4.442 0.088 1 1 1071 . 20 1 1 A 112 112 VAL CA C 112 61.000 61.402 -0.402 1 1 1072 . 20 1 1 A 112 112 VAL CB C 112 33.800 32.693 1.107 1 1 1075 . 20 1 1 A 112 112 VAL N N 112 126.100 127.568 -1.468 1 1 1076 . 20 1 1 A 113 113 ARG H H 113 8.620 9.309 -0.689 1 1 1077 . 20 1 1 A 113 113 ARG HA H 113 5.020 4.605 0.415 1 1 1084 . 20 1 1 A 113 113 ARG CA C 113 54.100 55.053 -0.953 1 1 1085 . 20 1 1 A 113 113 ARG CB C 113 31.500 30.810 0.690 1 1 1088 . 20 1 1 A 113 113 ARG N N 113 128.800 128.611 0.189 1 1 1089 . 20 1 1 A 114 114 ASP H H 114 9.650 8.873 0.777 1 1 1090 . 20 1 1 A 114 114 ASP HA H 114 4.370 4.457 -0.087 1 1 1093 . 20 1 1 A 114 114 ASP CA C 114 55.100 55.174 -0.074 1 1 1094 . 20 1 1 A 114 114 ASP CB C 114 39.800 40.258 -0.458 1 1 1095 . 20 1 1 A 114 114 ASP N N 114 128.100 126.945 1.155 1 1 1096 . 20 1 1 A 115 115 GLY H H 115 8.350 8.462 -0.112 1 1 1097 . 20 1 1 A 115 115 GLY HA2 H 115 3.980 3.698 0.282 1 1 1098 . 20 1 1 A 115 115 GLY HA3 H 115 2.460 3.813 -1.353 1 1 1099 . 20 1 1 A 115 115 GLY CA C 115 45.500 45.245 0.255 1 1 1100 . 20 1 1 A 115 115 GLY N N 115 109.900 105.968 3.932 1 1 1101 . 20 1 1 A 116 116 ALA H H 116 7.610 7.589 0.021 1 1 1102 . 20 1 1 A 116 116 ALA HA H 116 4.920 4.574 0.346 1 1 1106 . 20 1 1 A 116 116 ALA CA C 116 48.200 49.156 -0.956 1 1 1107 . 20 1 1 A 116 116 ALA CB C 116 19.600 20.129 -0.529 1 1 1108 . 20 1 1 A 116 116 ALA N N 116 123.900 123.743 0.157 1 1 1109 . 20 1 1 A 117 117 PRO HA H 117 4.670 4.740 -0.070 1 1 1116 . 20 1 1 A 117 117 PRO CA C 117 62.900 62.862 0.038 1 1 1117 . 20 1 1 A 117 117 PRO CB C 117 31.500 31.807 -0.307 1 1 1120 . 20 1 1 A 118 118 GLU H H 118 8.900 9.069 -0.169 1 1 1121 . 20 1 1 A 118 118 GLU HA H 118 4.540 4.473 0.067 1 1 1126 . 20 1 1 A 118 118 GLU CA C 118 56.200 58.289 -2.089 1 1 1127 . 20 1 1 A 118 118 GLU CB C 118 30.500 31.135 -0.635 1 1 1129 . 20 1 1 A 118 118 GLU N N 118 127.400 123.551 3.849 1 1 1130 . 20 1 1 A 119 119 ALA H H 119 8.060 8.055 0.005 1 1 1131 . 20 1 1 A 119 119 ALA HA H 119 4.460 4.670 -0.210 1 1 1135 . 20 1 1 A 119 119 ALA CA C 119 52.600 50.508 2.092 1 1 1136 . 20 1 1 A 119 119 ALA CB C 119 21.000 20.445 0.555 1 1 1137 . 20 1 1 A 119 119 ALA N N 119 123.500 122.489 1.011 1 1 1138 . 20 1 1 A 120 120 LEU H H 120 8.170 8.951 -0.781 1 1 1139 . 20 1 1 A 120 120 LEU HA H 120 5.400 5.255 0.145 1 1 1149 . 20 1 1 A 120 120 LEU CA C 120 55.000 53.368 1.632 1 1 1150 . 20 1 1 A 120 120 LEU CB C 120 45.300 45.276 0.024 1 1 1154 . 20 1 1 A 120 120 LEU N N 120 123.500 125.240 -1.740 1 1 1155 . 20 1 1 A 121 121 THR H H 121 9.450 9.191 0.259 1 1 1156 . 20 1 1 A 121 121 THR HA H 121 4.520 4.922 -0.402 1 1 1161 . 20 1 1 A 121 121 THR CA C 121 58.700 60.918 -2.218 1 1 1162 . 20 1 1 A 121 121 THR CB C 121 72.100 72.765 -0.665 1 1 1164 . 20 1 1 A 121 121 THR N N 121 117.400 122.868 -5.468 1 1 1165 . 20 1 1 A 122 122 ALA H H 122 8.620 8.606 0.014 1 1 1166 . 20 1 1 A 122 122 ALA HA H 122 5.370 5.335 0.035 1 1 1170 . 20 1 1 A 122 122 ALA CA C 122 50.400 49.886 0.514 1 1 1171 . 20 1 1 A 122 122 ALA CB C 122 21.900 22.192 -0.292 1 1 1172 . 20 1 1 A 122 122 ALA N N 122 123.400 124.096 -0.696 1 1 1173 . 20 1 1 A 123 123 TRP H H 123 8.740 9.582 -0.842 1 1 1174 . 20 1 1 A 123 123 TRP HA H 123 5.090 5.302 -0.212 1 1 1183 . 20 1 1 A 123 123 TRP CA C 123 56.700 56.337 0.363 1 1 1184 . 20 1 1 A 123 123 TRP CB C 123 33.300 33.493 -0.193 1 1 1190 . 20 1 1 A 123 123 TRP N N 123 118.700 121.017 -2.317 1 1 1192 . 20 1 1 A 124 124 ALA H H 124 9.570 9.028 0.542 1 1 1193 . 20 1 1 A 124 124 ALA HA H 124 5.360 5.271 0.089 1 1 1197 . 20 1 1 A 124 124 ALA CA C 124 50.300 49.968 0.332 1 1 1198 . 20 1 1 A 124 124 ALA CB C 124 22.600 20.731 1.869 1 1 1199 . 20 1 1 A 124 124 ALA N N 124 123.200 125.451 -2.251 1 1 1200 . 20 1 1 A 125 125 LEU H H 125 9.830 8.835 0.995 1 1 1201 . 20 1 1 A 125 125 LEU HA H 125 4.190 4.298 -0.108 1 1 1211 . 20 1 1 A 125 125 LEU CA C 125 54.700 54.019 0.681 1 1 1212 . 20 1 1 A 125 125 LEU CB C 125 44.000 43.868 0.132 1 1 1216 . 20 1 1 A 125 125 LEU N N 125 125.000 125.142 -0.142 1 1 1217 . 20 1 1 A 126 126 ALA H H 126 8.310 8.474 -0.164 1 1 1218 . 20 1 1 A 126 126 ALA HA H 126 4.460 4.515 -0.055 1 1 1222 . 20 1 1 A 126 126 ALA CA C 126 51.100 50.760 0.340 1 1 1223 . 20 1 1 A 126 126 ALA CB C 126 18.300 17.850 0.450 1 1 1224 . 20 1 1 A 126 126 ALA N N 126 127.000 129.132 -2.132 1 1 1225 . 20 1 1 A 127 127 PRO HA H 127 4.340 4.323 0.017 1 1 1232 . 20 1 1 A 127 127 PRO CA C 127 65.400 65.049 0.351 1 1 1233 . 20 1 1 A 127 127 PRO CB C 127 31.800 31.884 -0.084 1 1 1236 . 20 1 1 A 128 128 ASP H H 128 7.680 7.522 0.158 1 1 1237 . 20 1 1 A 128 128 ASP HA H 128 4.550 4.702 -0.152 1 1 1240 . 20 1 1 A 128 128 ASP CA C 128 52.900 53.757 -0.857 1 1 1241 . 20 1 1 A 128 128 ASP CB C 128 39.600 41.101 -1.501 1 1 1242 . 20 1 1 A 128 128 ASP N N 128 113.100 115.155 -2.055 1 1 1243 . 20 1 1 A 129 129 ARG H H 129 8.500 8.262 0.238 1 1 1244 . 20 1 1 A 129 129 ARG HA H 129 3.500 3.900 -0.400 1 1 1251 . 20 1 1 A 129 129 ARG CA C 129 57.600 57.247 0.353 1 1 1252 . 20 1 1 A 129 129 ARG CB C 129 26.900 29.436 -2.536 1 1 1255 . 20 1 1 A 129 129 ARG N N 129 113.100 118.772 -5.672 1 1 1256 . 20 1 1 A 130 130 SER H H 130 8.050 7.976 0.074 1 1 1257 . 20 1 1 A 130 130 SER HA H 130 4.020 4.301 -0.281 1 1 1260 . 20 1 1 A 130 130 SER CA C 130 60.100 61.332 -1.232 1 1 1261 . 20 1 1 A 130 130 SER CB C 130 63.600 64.011 -0.411 1 1 1262 . 20 1 1 A 130 130 SER N N 130 111.100 114.462 -3.362 1 1 1263 . 20 1 1 A 131 131 GLU H H 131 7.060 7.619 -0.559 1 1 1264 . 20 1 1 A 131 131 GLU HA H 131 4.420 4.607 -0.187 1 1 1269 . 20 1 1 A 131 131 GLU CA C 131 54.400 55.214 -0.814 1 1 1270 . 20 1 1 A 131 131 GLU CB C 131 31.800 31.326 0.474 1 1 1272 . 20 1 1 A 131 131 GLU N N 131 114.400 114.938 -0.538 1 1 1273 . 20 1 1 A 132 132 PHE H H 132 8.740 8.757 -0.017 1 1 1274 . 20 1 1 A 132 132 PHE HA H 132 5.390 5.701 -0.311 1 1 1282 . 20 1 1 A 132 132 PHE CA C 132 57.200 56.427 0.773 1 1 1283 . 20 1 1 A 132 132 PHE CB C 132 42.900 41.828 1.072 1 1 1287 . 20 1 1 A 132 132 PHE N N 132 117.300 117.693 -0.393 1 1 1288 . 20 1 1 A 133 133 HIS H H 133 9.870 9.454 0.416 1 1 1289 . 20 1 1 A 133 133 HIS HA H 133 5.380 5.932 -0.552 1 1 1294 . 20 1 1 A 133 133 HIS CA C 133 53.300 53.696 -0.396 1 1 1295 . 20 1 1 A 133 133 HIS CB C 133 32.700 33.231 -0.531 1 1 1298 . 20 1 1 A 133 133 HIS N N 133 117.900 117.632 0.268 1 1 1299 . 20 1 1 A 134 134 ARG H H 134 9.080 8.710 0.370 1 1 1300 . 20 1 1 A 134 134 ARG HA H 134 3.500 3.928 -0.428 1 1 1307 . 20 1 1 A 134 134 ARG CA C 134 57.100 56.776 0.324 1 1 1308 . 20 1 1 A 134 134 ARG CB C 134 30.100 30.954 -0.854 1 1 1311 . 20 1 1 A 134 134 ARG N N 134 125.600 123.067 2.533 1 1 1312 . 20 1 1 A 135 135 GLU H H 135 8.410 8.418 -0.008 1 1 1313 . 20 1 1 A 135 135 GLU HA H 135 4.550 4.977 -0.427 1 1 1318 . 20 1 1 A 135 135 GLU CA C 135 54.000 54.352 -0.352 1 1 1319 . 20 1 1 A 135 135 GLU CB C 135 33.000 33.436 -0.436 1 1 1321 . 20 1 1 A 135 135 GLU N N 135 128.500 126.148 2.352 1 1 1322 . 20 1 1 A 136 136 ASP H H 136 8.480 8.700 -0.220 1 1 1323 . 20 1 1 A 136 136 ASP HA H 136 4.460 5.177 -0.717 1 1 1326 . 20 1 1 A 136 136 ASP CA C 136 54.700 53.330 1.370 1 1 1327 . 20 1 1 A 136 136 ASP CB C 136 41.500 42.898 -1.398 1 1 1328 . 20 1 1 A 136 136 ASP N N 136 124.300 124.926 -0.626 1 1 1329 . 20 1 1 A 137 137 ILE H H 137 8.340 8.532 -0.192 1 1 1330 . 20 1 1 A 137 137 ILE HA H 137 4.570 4.321 0.249 1 1 1340 . 20 1 1 A 137 137 ILE CA C 137 61.400 60.430 0.970 1 1 1341 . 20 1 1 A 137 137 ILE CB C 137 38.600 37.097 1.503 1 1 1345 . 20 1 1 A 137 137 ILE N N 137 121.100 123.141 -2.041 1 1 1346 . 20 1 1 A 138 138 VAL H H 138 8.730 9.026 -0.296 1 1 1347 . 20 1 1 A 138 138 VAL HA H 138 4.570 4.972 -0.402 1 1 1355 . 20 1 1 A 138 138 VAL CA C 138 59.800 59.072 0.728 1 1 1356 . 20 1 1 A 138 138 VAL CB C 138 34.700 34.362 0.338 1 1 1359 . 20 1 1 A 138 138 VAL N N 138 125.100 122.790 2.310 1 1 1360 . 20 1 1 A 139 139 ARG H H 139 8.390 8.248 0.142 1 1 1361 . 20 1 1 A 139 139 ARG HA H 139 5.210 5.089 0.121 1 1 1368 . 20 1 1 A 139 139 ARG CA C 139 53.500 53.904 -0.404 1 1 1369 . 20 1 1 A 139 139 ARG CB C 139 30.100 29.711 0.389 1 1 1372 . 20 1 1 A 139 139 ARG N N 139 122.800 122.997 -0.197 1 1 1373 . 20 1 1 A 140 140 PRO HA H 140 4.380 4.435 -0.055 1 1 1380 . 20 1 1 A 140 140 PRO CA C 140 62.400 63.086 -0.686 1 1 1381 . 20 1 1 A 140 140 PRO CB C 140 32.000 31.482 0.518 1 1 1384 . 20 1 1 A 141 141 ASP H H 141 8.520 8.755 -0.235 1 1 1385 . 20 1 1 A 141 141 ASP HA H 141 4.780 5.119 -0.339 1 1 1388 . 20 1 1 A 141 141 ASP CA C 141 54.500 51.595 2.905 1 1 1389 . 20 1 1 A 141 141 ASP CB C 141 40.600 41.638 -1.038 1 1 1390 . 20 1 1 A 141 141 ASP N N 141 122.200 123.745 -1.545 1 1 1391 . 20 1 1 A 142 142 PRO HA H 142 4.380 4.503 -0.123 1 1 1398 . 20 1 1 A 142 142 PRO CA C 142 63.500 63.965 -0.465 1 1 1399 . 20 1 1 A 142 142 PRO CB C 142 32.000 32.553 -0.553 1 1 1402 . 20 1 1 A 143 143 GLU H H 143 8.460 8.009 0.451 1 1 1403 . 20 1 1 A 143 143 GLU HA H 143 4.260 4.558 -0.298 1 1 1408 . 20 1 1 A 143 143 GLU CA C 143 56.000 56.148 -0.148 1 1 1409 . 20 1 1 A 143 143 GLU CB C 143 30.000 31.360 -1.360 1 1 1411 . 20 1 1 A 143 143 GLU N N 143 119.500 119.714 -0.214 1 1 1412 . 20 1 1 A 144 144 ALA H H 144 8.030 6.954 1.076 1 1 1413 . 20 1 1 A 144 144 ALA HA H 144 4.590 4.481 0.109 1 1 1417 . 20 1 1 A 144 144 ALA CA C 144 50.300 50.760 -0.460 1 1 1418 . 20 1 1 A 144 144 ALA CB C 144 18.300 18.540 -0.240 1 1 1419 . 20 1 1 A 144 144 ALA N N 144 125.800 124.015 1.785 1 1 1420 . 20 1 1 A 145 145 PRO HA H 145 4.400 4.573 -0.173 1 1 1427 . 20 1 1 A 145 145 PRO CA C 145 62.900 62.745 0.155 1 1 1428 . 20 1 1 A 145 145 PRO CB C 145 32.000 32.068 -0.068 1 1 1431 . 20 1 1 A 146 146 LEU H H 146 8.330 8.305 0.025 1 1 1432 . 20 1 1 A 146 146 LEU HA H 146 4.230 4.635 -0.405 1 1 1442 . 20 1 1 A 146 146 LEU CA C 146 55.100 53.310 1.790 1 1 1443 . 20 1 1 A 146 146 LEU CB C 146 42.200 43.552 -1.352 1 1 1447 . 20 1 1 A 146 146 LEU N N 146 122.100 118.455 3.645 1 1 1448 . 20 1 1 A 147 147 GLU H H 147 8.300 8.549 -0.249 1 1 1449 . 20 1 1 A 147 147 GLU HA H 147 4.220 4.690 -0.470 1 1 1454 . 20 1 1 A 147 147 GLU CA C 147 56.200 55.804 0.396 1 1 1455 . 20 1 1 A 147 147 GLU CB C 147 30.300 31.134 -0.834 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 135 1.187 1 3 1 1 1 "RMS(OBS, PRED)" CB 126 1.211 1 4 1 1 1 "RMS(OBS, PRED)" H 124 0.530 1 5 1 1 1 "RMS(OBS, PRED)" HA 144 0.402 1 6 1 1 1 "RMS(OBS, PRED)" N 123 3.808 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 135 1.212 1 9 1 2 1 "RMS(OBS, PRED)" CB 126 1.034 1 10 1 2 1 "RMS(OBS, PRED)" H 124 0.574 1 11 1 2 1 "RMS(OBS, PRED)" HA 144 0.349 1 12 1 2 1 "RMS(OBS, PRED)" N 123 3.825 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 135 1.401 1 15 1 3 1 "RMS(OBS, PRED)" CB 126 1.241 1 16 1 3 1 "RMS(OBS, PRED)" H 124 0.542 1 17 1 3 1 "RMS(OBS, PRED)" HA 144 0.406 1 18 1 3 1 "RMS(OBS, PRED)" N 123 3.722 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 135 1.202 1 21 1 4 1 "RMS(OBS, PRED)" CB 126 1.025 1 22 1 4 1 "RMS(OBS, PRED)" H 124 0.552 1 23 1 4 1 "RMS(OBS, PRED)" HA 144 0.364 1 24 1 4 1 "RMS(OBS, PRED)" N 123 3.659 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 135 1.249 1 27 1 5 1 "RMS(OBS, PRED)" CB 126 1.166 1 28 1 5 1 "RMS(OBS, PRED)" H 124 0.553 1 29 1 5 1 "RMS(OBS, PRED)" HA 144 0.398 1 30 1 5 1 "RMS(OBS, PRED)" N 123 3.989 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 135 1.485 1 33 1 6 1 "RMS(OBS, PRED)" CB 126 1.199 1 34 1 6 1 "RMS(OBS, PRED)" H 124 0.564 1 35 1 6 1 "RMS(OBS, PRED)" HA 144 0.358 1 36 1 6 1 "RMS(OBS, PRED)" N 123 3.582 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 135 1.362 1 39 1 7 1 "RMS(OBS, PRED)" CB 126 1.147 1 40 1 7 1 "RMS(OBS, PRED)" H 124 0.606 1 41 1 7 1 "RMS(OBS, PRED)" HA 144 0.401 1 42 1 7 1 "RMS(OBS, PRED)" N 123 3.964 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 135 1.241 1 45 1 8 1 "RMS(OBS, PRED)" CB 126 1.107 1 46 1 8 1 "RMS(OBS, PRED)" H 124 0.597 1 47 1 8 1 "RMS(OBS, PRED)" HA 144 0.379 1 48 1 8 1 "RMS(OBS, PRED)" N 123 3.700 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 135 1.300 1 51 1 9 1 "RMS(OBS, PRED)" CB 126 1.249 1 52 1 9 1 "RMS(OBS, PRED)" H 124 0.585 1 53 1 9 1 "RMS(OBS, PRED)" HA 144 0.366 1 54 1 9 1 "RMS(OBS, PRED)" N 123 3.943 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 135 1.220 1 57 1 10 1 "RMS(OBS, PRED)" CB 126 1.275 1 58 1 10 1 "RMS(OBS, PRED)" H 124 0.589 1 59 1 10 1 "RMS(OBS, PRED)" HA 144 0.405 1 60 1 10 1 "RMS(OBS, PRED)" N 123 3.685 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 135 1.258 1 63 1 11 1 "RMS(OBS, PRED)" CB 126 1.176 1 64 1 11 1 "RMS(OBS, PRED)" H 124 0.571 1 65 1 11 1 "RMS(OBS, PRED)" HA 144 0.398 1 66 1 11 1 "RMS(OBS, PRED)" N 123 3.833 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 135 1.258 1 69 1 12 1 "RMS(OBS, PRED)" CB 126 1.172 1 70 1 12 1 "RMS(OBS, PRED)" H 124 0.557 1 71 1 12 1 "RMS(OBS, PRED)" HA 144 0.374 1 72 1 12 1 "RMS(OBS, PRED)" N 123 3.717 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 135 1.216 1 75 1 13 1 "RMS(OBS, PRED)" CB 126 1.259 1 76 1 13 1 "RMS(OBS, PRED)" H 124 0.580 1 77 1 13 1 "RMS(OBS, PRED)" HA 144 0.375 1 78 1 13 1 "RMS(OBS, PRED)" N 123 3.658 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 135 1.268 1 81 1 14 1 "RMS(OBS, PRED)" CB 126 1.200 1 82 1 14 1 "RMS(OBS, PRED)" H 124 0.558 1 83 1 14 1 "RMS(OBS, PRED)" HA 144 0.358 1 84 1 14 1 "RMS(OBS, PRED)" N 123 3.795 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 135 1.191 1 87 1 15 1 "RMS(OBS, PRED)" CB 126 1.125 1 88 1 15 1 "RMS(OBS, PRED)" H 124 0.543 1 89 1 15 1 "RMS(OBS, PRED)" HA 144 0.383 1 90 1 15 1 "RMS(OBS, PRED)" N 123 3.554 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 135 1.329 1 93 1 16 1 "RMS(OBS, PRED)" CB 126 1.118 1 94 1 16 1 "RMS(OBS, PRED)" H 124 0.544 1 95 1 16 1 "RMS(OBS, PRED)" HA 144 0.373 1 96 1 16 1 "RMS(OBS, PRED)" N 123 3.617 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 135 1.365 1 99 1 17 1 "RMS(OBS, PRED)" CB 126 1.170 1 100 1 17 1 "RMS(OBS, PRED)" H 124 0.592 1 101 1 17 1 "RMS(OBS, PRED)" HA 144 0.380 1 102 1 17 1 "RMS(OBS, PRED)" N 123 3.630 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 135 1.261 1 105 1 18 1 "RMS(OBS, PRED)" CB 126 1.206 1 106 1 18 1 "RMS(OBS, PRED)" H 124 0.562 1 107 1 18 1 "RMS(OBS, PRED)" HA 144 0.401 1 108 1 18 1 "RMS(OBS, PRED)" N 123 3.639 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 135 1.254 1 111 1 19 1 "RMS(OBS, PRED)" CB 126 1.257 1 112 1 19 1 "RMS(OBS, PRED)" H 124 0.580 1 113 1 19 1 "RMS(OBS, PRED)" HA 144 0.377 1 114 1 19 1 "RMS(OBS, PRED)" N 123 3.908 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 135 1.222 1 117 1 20 1 "RMS(OBS, PRED)" CB 126 1.204 1 118 1 20 1 "RMS(OBS, PRED)" H 124 0.544 1 119 1 20 1 "RMS(OBS, PRED)" HA 144 0.389 1 120 1 20 1 "RMS(OBS, PRED)" N 123 3.692 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 . 1 1 A 2 2 LYS H H 2 9.020 8.918 0.102 2 1 14 . 1 1 A 2 2 LYS HA H 2 5.640 5.469 0.171 2 1 23 . 1 1 A 2 2 LYS CA C 2 53.700 55.164 -1.464 2 1 24 . 1 1 A 2 2 LYS CB C 2 34.900 34.180 0.720 2 1 28 . 1 1 A 2 2 LYS N N 2 125.700 126.193 -0.493 2 1 29 . 1 1 A 3 3 THR H H 3 8.850 8.623 0.227 2 1 30 . 1 1 A 3 3 THR HA H 3 4.660 4.759 -0.099 2 1 36 . 1 1 A 3 3 THR CA C 3 61.600 60.418 1.182 2 1 37 . 1 1 A 3 3 THR CB C 3 68.200 70.451 -2.251 2 1 39 . 1 1 A 3 3 THR N N 3 117.000 116.560 0.440 2 1 40 . 1 1 A 4 4 THR H H 4 8.100 8.357 -0.257 2 1 41 . 1 1 A 4 4 THR HA H 4 4.790 4.917 -0.127 2 1 46 . 1 1 A 4 4 THR CA C 4 58.500 59.097 -0.597 2 1 47 . 1 1 A 4 4 THR CB C 4 68.400 69.523 -1.123 2 1 49 . 1 1 A 4 4 THR N N 4 110.200 115.917 -5.717 2 1 50 . 1 1 A 5 5 PRO HA H 5 4.110 4.212 -0.102 2 1 57 . 1 1 A 5 5 PRO CA C 5 65.300 65.523 -0.223 2 1 58 . 1 1 A 5 5 PRO CB C 5 31.800 31.668 0.132 2 1 61 . 1 1 A 6 6 ASP H H 6 8.530 8.438 0.092 2 1 62 . 1 1 A 6 6 ASP HA H 6 4.350 4.386 -0.036 2 1 65 . 1 1 A 6 6 ASP CA C 6 56.300 56.963 -0.663 2 1 66 . 1 1 A 6 6 ASP CB C 6 39.500 40.996 -1.496 2 1 67 . 1 1 A 6 6 ASP N N 6 114.600 117.020 -2.420 2 1 68 . 1 1 A 7 7 ILE H H 7 7.270 7.541 -0.271 2 1 69 . 1 1 A 7 7 ILE HA H 7 3.620 3.669 -0.049 2 1 79 . 1 1 A 7 7 ILE CA C 7 61.900 65.088 -3.188 2 1 80 . 1 1 A 7 7 ILE CB C 7 34.900 37.808 -2.908 2 1 84 . 1 1 A 7 7 ILE N N 7 121.700 119.878 1.822 2 1 85 . 1 1 A 8 8 LEU H H 8 6.960 8.040 -1.080 2 1 86 . 1 1 A 8 8 LEU HA H 8 3.710 3.840 -0.130 2 1 96 . 1 1 A 8 8 LEU CA C 8 57.800 58.047 -0.247 2 1 97 . 1 1 A 8 8 LEU CB C 8 39.900 41.200 -1.300 2 1 101 . 1 1 A 8 8 LEU N N 8 117.200 119.763 -2.563 2 1 102 . 1 1 A 9 9 ASP H H 9 8.220 8.477 -0.257 2 1 103 . 1 1 A 9 9 ASP HA H 9 4.330 4.238 0.092 2 1 106 . 1 1 A 9 9 ASP CA C 9 57.600 57.875 -0.275 2 1 107 . 1 1 A 9 9 ASP CB C 9 40.100 41.201 -1.101 2 1 108 . 1 1 A 9 9 ASP N N 9 117.600 119.421 -1.821 2 1 109 . 1 1 A 10 10 GLN H H 10 7.630 7.858 -0.228 2 1 110 . 1 1 A 10 10 GLN HA H 10 3.850 4.015 -0.165 2 1 117 . 1 1 A 10 10 GLN CA C 10 59.200 58.714 0.486 2 1 118 . 1 1 A 10 10 GLN CB C 10 29.300 28.298 1.002 2 1 120 . 1 1 A 10 10 GLN N N 10 118.700 117.930 0.770 2 1 122 . 1 1 A 11 11 ILE H H 11 7.590 8.077 -0.487 2 1 123 . 1 1 A 11 11 ILE HA H 11 2.960 3.568 -0.608 2 1 133 . 1 1 A 11 11 ILE CA C 11 65.800 65.114 0.686 2 1 134 . 1 1 A 11 11 ILE CB C 11 37.500 37.494 0.006 2 1 138 . 1 1 A 11 11 ILE N N 11 121.700 121.137 0.563 2 1 139 . 1 1 A 12 12 ARG H H 12 7.720 7.952 -0.232 2 1 140 . 1 1 A 12 12 ARG HA H 12 3.610 4.021 -0.411 2 1 147 . 1 1 A 12 12 ARG CA C 12 61.300 59.124 2.176 2 1 148 . 1 1 A 12 12 ARG CB C 12 30.100 29.919 0.181 2 1 151 . 1 1 A 12 12 ARG N N 12 118.400 120.412 -2.012 2 1 152 . 1 1 A 13 13 VAL H H 13 8.480 7.909 0.571 2 1 153 . 1 1 A 13 13 VAL HA H 13 3.640 3.578 0.062 2 1 161 . 1 1 A 13 13 VAL CA C 13 66.400 66.373 0.027 2 1 162 . 1 1 A 13 13 VAL CB C 13 31.600 31.637 -0.037 2 1 165 . 1 1 A 13 13 VAL N N 13 118.400 120.383 -1.983 2 1 166 . 1 1 A 14 14 HIS H H 14 7.790 8.325 -0.535 2 1 167 . 1 1 A 14 14 HIS HA H 14 4.620 4.311 0.309 2 1 172 . 1 1 A 14 14 HIS CA C 14 57.500 58.574 -1.074 2 1 173 . 1 1 A 14 14 HIS CB C 14 31.100 28.962 2.138 2 1 176 . 1 1 A 14 14 HIS N N 14 119.600 118.250 1.350 2 1 177 . 1 1 A 15 15 GLY H H 15 8.290 8.248 0.042 2 1 178 . 1 1 A 15 15 GLY HA2 H 15 3.400 3.696 -0.296 2 1 179 . 1 1 A 15 15 GLY HA3 H 15 3.620 3.760 -0.140 2 1 180 . 1 1 A 15 15 GLY CA C 15 47.800 47.219 0.581 2 1 181 . 1 1 A 15 15 GLY N N 15 104.200 107.091 -2.891 2 1 182 . 1 1 A 16 16 ALA H H 16 8.650 7.683 0.967 2 1 183 . 1 1 A 16 16 ALA HA H 16 3.940 3.968 -0.028 2 1 187 . 1 1 A 16 16 ALA CA C 16 55.500 54.491 1.009 2 1 188 . 1 1 A 16 16 ALA CB C 16 18.600 18.276 0.324 2 1 189 . 1 1 A 16 16 ALA N N 16 125.700 124.969 0.731 2 1 190 . 1 1 A 17 17 ASP H H 17 9.020 8.448 0.572 2 1 191 . 1 1 A 17 17 ASP HA H 17 4.420 4.387 0.033 2 1 194 . 1 1 A 17 17 ASP CA C 17 56.700 56.881 -0.181 2 1 195 . 1 1 A 17 17 ASP CB C 17 41.300 41.458 -0.158 2 1 196 . 1 1 A 17 17 ASP N N 17 119.300 119.092 0.208 2 1 197 . 1 1 A 18 18 ALA H H 18 8.210 7.551 0.658 2 1 198 . 1 1 A 18 18 ALA HA H 18 4.180 4.243 -0.063 2 1 202 . 1 1 A 18 18 ALA CA C 18 53.100 54.048 -0.948 2 1 203 . 1 1 A 18 18 ALA CB C 18 19.000 18.887 0.113 2 1 204 . 1 1 A 18 18 ALA N N 18 118.300 119.853 -1.553 2 1 205 . 1 1 A 19 19 TYR H H 19 7.080 7.585 -0.505 2 1 206 . 1 1 A 19 19 TYR HA H 19 4.190 4.686 -0.496 2 1 213 . 1 1 A 19 19 TYR CA C 19 58.300 57.217 1.083 2 1 214 . 1 1 A 19 19 TYR CB C 19 39.100 38.726 0.374 2 1 217 . 1 1 A 19 19 TYR N N 19 118.200 119.302 -1.103 2 1 218 . 1 1 A 20 20 PRO HA H 20 2.690 4.132 -1.442 2 1 225 . 1 1 A 20 20 PRO CA C 20 63.300 63.635 -0.335 2 1 226 . 1 1 A 20 20 PRO CB C 20 33.500 32.125 1.375 2 1 229 . 1 1 A 21 21 GLU H H 21 8.660 7.692 0.968 2 1 230 . 1 1 A 21 21 GLU HA H 21 4.420 4.435 -0.015 2 1 235 . 1 1 A 21 21 GLU CA C 21 55.300 55.858 -0.558 2 1 236 . 1 1 A 21 21 GLU CB C 21 30.400 30.845 -0.445 2 1 238 . 1 1 A 21 21 GLU N N 21 124.800 119.045 5.755 2 1 239 . 1 1 A 22 22 GLU H H 22 8.290 8.587 -0.297 2 1 240 . 1 1 A 22 22 GLU HA H 22 3.990 4.439 -0.449 2 1 245 . 1 1 A 22 22 GLU CA C 22 56.400 56.056 0.344 2 1 246 . 1 1 A 22 22 GLU CB C 22 30.900 30.323 0.577 2 1 248 . 1 1 A 22 22 GLU N N 22 119.700 121.268 -1.568 2 1 249 . 1 1 A 23 23 GLY H H 23 8.770 8.506 0.264 2 1 250 . 1 1 A 23 23 GLY HA2 H 23 2.430 4.071 -1.641 2 1 251 . 1 1 A 23 23 GLY HA3 H 23 4.270 4.124 0.146 2 1 252 . 1 1 A 23 23 GLY CA C 23 42.900 45.795 -2.895 2 1 253 . 1 1 A 23 23 GLY N N 23 112.400 110.538 1.862 2 1 254 . 1 1 A 24 24 CYS H H 24 8.580 8.133 0.447 2 1 255 . 1 1 A 24 24 CYS HA H 24 4.630 4.578 0.052 2 1 258 . 1 1 A 24 24 CYS CA C 24 54.900 58.642 -3.742 2 1 259 . 1 1 A 24 24 CYS CB C 24 31.300 28.881 2.419 2 1 260 . 1 1 A 24 24 CYS N N 24 118.100 119.662 -1.562 2 1 261 . 1 1 A 25 25 GLY H H 25 6.730 7.413 -0.683 2 1 262 . 1 1 A 25 25 GLY HA2 H 25 3.650 3.764 -0.114 2 1 263 . 1 1 A 25 25 GLY HA3 H 25 4.030 3.959 0.071 2 1 264 . 1 1 A 25 25 GLY CA C 25 45.900 45.176 0.724 2 1 265 . 1 1 A 25 25 GLY N N 25 104.600 107.962 -3.362 2 1 266 . 1 1 A 26 26 PHE H H 26 9.350 8.470 0.880 2 1 267 . 1 1 A 26 26 PHE HA H 26 5.130 5.234 -0.104 2 1 275 . 1 1 A 26 26 PHE CA C 26 56.900 56.763 0.137 2 1 276 . 1 1 A 26 26 PHE CB C 26 43.300 42.808 0.492 2 1 280 . 1 1 A 26 26 PHE N N 26 114.900 119.315 -4.415 2 1 281 . 1 1 A 27 27 LEU H H 27 8.320 9.573 -1.253 2 1 282 . 1 1 A 27 27 LEU HA H 27 4.590 5.171 -0.581 2 1 292 . 1 1 A 27 27 LEU CA C 27 52.900 53.776 -0.876 2 1 293 . 1 1 A 27 27 LEU CB C 27 41.200 43.098 -1.898 2 1 297 . 1 1 A 27 27 LEU N N 27 119.100 122.953 -3.853 2 1 298 . 1 1 A 28 28 LEU H H 28 9.050 9.101 -0.051 2 1 299 . 1 1 A 28 28 LEU HA H 28 5.390 5.358 0.032 2 1 309 . 1 1 A 28 28 LEU CA C 28 51.900 53.172 -1.272 2 1 310 . 1 1 A 28 28 LEU CB C 28 42.900 44.054 -1.154 2 1 314 . 1 1 A 28 28 LEU N N 28 123.500 124.757 -1.257 2 1 315 . 1 1 A 29 29 GLY H H 29 9.950 8.310 1.640 2 1 316 . 1 1 A 29 29 GLY HA2 H 29 5.270 4.311 0.958 2 1 317 . 1 1 A 29 29 GLY HA3 H 29 3.900 4.318 -0.418 2 1 318 . 1 1 A 29 29 GLY CA C 29 46.700 46.218 0.482 2 1 319 . 1 1 A 29 29 GLY N N 29 112.400 110.055 2.346 2 1 320 . 1 1 A 30 30 THR H H 30 8.810 8.491 0.319 2 1 321 . 1 1 A 30 30 THR HA H 30 4.810 5.363 -0.553 2 1 326 . 1 1 A 30 30 THR CA C 30 59.900 59.665 0.235 2 1 327 . 1 1 A 30 30 THR CB C 30 72.200 72.086 0.114 2 1 329 . 1 1 A 30 30 THR N N 30 116.000 115.232 0.768 2 1 330 . 1 1 A 31 31 VAL H H 31 8.530 8.738 -0.208 2 1 331 . 1 1 A 31 31 VAL HA H 31 4.830 4.553 0.277 2 1 339 . 1 1 A 31 31 VAL CA C 31 61.900 61.850 0.050 2 1 340 . 1 1 A 31 31 VAL CB C 31 32.200 32.237 -0.037 2 1 343 . 1 1 A 31 31 VAL N N 31 124.200 123.389 0.811 2 1 344 . 1 1 A 32 32 THR H H 32 9.040 8.739 0.301 2 1 345 . 1 1 A 32 32 THR HA H 32 4.580 4.552 0.028 2 1 350 . 1 1 A 32 32 THR CA C 32 61.200 61.651 -0.451 2 1 351 . 1 1 A 32 32 THR CB C 32 70.700 70.422 0.278 2 1 353 . 1 1 A 32 32 THR N N 32 118.900 120.674 -1.774 2 1 354 . 1 1 A 33 33 ASP H H 33 8.980 8.849 0.131 2 1 355 . 1 1 A 33 33 ASP HA H 33 4.400 4.393 0.007 2 1 358 . 1 1 A 33 33 ASP CA C 33 56.800 56.013 0.787 2 1 359 . 1 1 A 33 33 ASP CB C 33 40.100 40.315 -0.215 2 1 360 . 1 1 A 33 33 ASP N N 33 121.100 123.142 -2.042 2 1 361 . 1 1 A 34 34 ASP H H 34 7.960 8.211 -0.251 2 1 362 . 1 1 A 34 34 ASP HA H 34 4.640 4.503 0.137 2 1 365 . 1 1 A 34 34 ASP CA C 34 53.500 54.714 -1.214 2 1 366 . 1 1 A 34 34 ASP CB C 34 40.400 40.894 -0.494 2 1 367 . 1 1 A 34 34 ASP N N 34 115.400 117.888 -2.488 2 1 368 . 1 1 A 35 35 GLY H H 35 8.080 7.993 0.087 2 1 369 . 1 1 A 35 35 GLY HA2 H 35 3.590 3.998 -0.408 2 1 370 . 1 1 A 35 35 GLY HA3 H 35 4.200 4.005 0.195 2 1 371 . 1 1 A 35 35 GLY CA C 35 45.400 45.501 -0.101 2 1 372 . 1 1 A 35 35 GLY N N 35 108.400 106.903 1.497 2 1 373 . 1 1 A 36 36 ASP H H 36 7.690 7.877 -0.187 2 1 374 . 1 1 A 36 36 ASP HA H 36 4.790 4.907 -0.117 2 1 377 . 1 1 A 36 36 ASP CA C 36 51.900 53.448 -1.548 2 1 378 . 1 1 A 36 36 ASP CB C 36 42.300 43.156 -0.856 2 1 379 . 1 1 A 36 36 ASP N N 36 120.100 120.791 -0.691 2 1 380 . 1 1 A 37 37 ASN H H 37 8.920 8.734 0.186 2 1 381 . 1 1 A 37 37 ASN HA H 37 5.180 5.328 -0.148 2 1 386 . 1 1 A 37 37 ASN CA C 37 52.900 52.203 0.697 2 1 387 . 1 1 A 37 37 ASN CB C 37 38.800 40.232 -1.432 2 1 388 . 1 1 A 37 37 ASN N N 37 119.000 119.479 -0.479 2 1 390 . 1 1 A 38 38 ARG H H 38 9.480 9.069 0.411 2 1 391 . 1 1 A 38 38 ARG HA H 38 5.310 5.310 -0.000 2 1 398 . 1 1 A 38 38 ARG CA C 38 53.500 54.711 -1.211 2 1 399 . 1 1 A 38 38 ARG CB C 38 31.000 32.809 -1.809 2 1 402 . 1 1 A 38 38 ARG N N 38 126.900 123.101 3.799 2 1 403 . 1 1 A 39 39 VAL H H 39 8.810 8.880 -0.070 2 1 404 . 1 1 A 39 39 VAL HA H 39 4.150 4.271 -0.121 2 1 412 . 1 1 A 39 39 VAL CA C 39 62.800 62.394 0.406 2 1 413 . 1 1 A 39 39 VAL CB C 39 33.100 32.324 0.776 2 1 416 . 1 1 A 39 39 VAL N N 39 125.700 125.558 0.142 2 1 417 . 1 1 A 40 40 ALA H H 40 9.680 8.740 0.940 2 1 418 . 1 1 A 40 40 ALA HA H 40 4.690 4.581 0.109 2 1 422 . 1 1 A 40 40 ALA CA C 40 51.300 52.382 -1.082 2 1 423 . 1 1 A 40 40 ALA CB C 40 22.700 20.908 1.792 2 1 424 . 1 1 A 40 40 ALA N N 40 102.300 129.351 -27.051 2 1 425 . 1 1 A 41 41 ALA H H 41 8.370 7.885 0.485 2 1 426 . 1 1 A 41 41 ALA HA H 41 4.530 4.892 -0.362 2 1 430 . 1 1 A 41 41 ALA CA C 41 51.700 51.153 0.547 2 1 431 . 1 1 A 41 41 ALA CB C 41 22.200 23.060 -0.860 2 1 432 . 1 1 A 41 41 ALA N N 41 120.200 118.345 1.855 2 1 433 . 1 1 A 42 42 LEU H H 42 8.690 8.692 -0.002 2 1 434 . 1 1 A 42 42 LEU HA H 42 5.320 5.232 0.088 2 1 444 . 1 1 A 42 42 LEU CA C 42 53.500 53.686 -0.186 2 1 445 . 1 1 A 42 42 LEU CB C 42 46.300 44.905 1.395 2 1 449 . 1 1 A 42 42 LEU N N 42 118.300 120.513 -2.213 2 1 450 . 1 1 A 43 43 HIS H H 43 8.820 8.853 -0.033 2 1 451 . 1 1 A 43 43 HIS HA H 43 4.870 5.277 -0.407 2 1 456 . 1 1 A 43 43 HIS CA C 43 56.300 54.542 1.758 2 1 457 . 1 1 A 43 43 HIS CB C 43 34.200 33.187 1.013 2 1 460 . 1 1 A 43 43 HIS N N 43 120.700 123.372 -2.672 2 1 461 . 1 1 A 44 44 ARG H H 44 8.580 8.491 0.089 2 1 462 . 1 1 A 44 44 ARG HA H 44 4.420 4.601 -0.181 2 1 469 . 1 1 A 44 44 ARG CA C 44 57.400 55.383 2.017 2 1 470 . 1 1 A 44 44 ARG CB C 44 31.100 31.592 -0.492 2 1 473 . 1 1 A 44 44 ARG N N 44 128.300 125.408 2.892 2 1 474 . 1 1 A 45 45 ALA H H 45 8.580 8.516 0.064 2 1 475 . 1 1 A 45 45 ALA HA H 45 4.720 4.587 0.133 2 1 479 . 1 1 A 45 45 ALA CA C 45 51.500 52.456 -0.956 2 1 480 . 1 1 A 45 45 ALA CB C 45 20.200 18.655 1.545 2 1 481 . 1 1 A 45 45 ALA N N 45 125.700 126.457 -0.757 2 1 482 . 1 1 A 46 46 THR H H 46 8.250 8.617 -0.367 2 1 483 . 1 1 A 46 46 THR HA H 46 4.270 4.726 -0.456 2 1 488 . 1 1 A 46 46 THR CA C 46 62.000 61.467 0.533 2 1 489 . 1 1 A 46 46 THR CB C 46 69.900 70.653 -0.753 2 1 491 . 1 1 A 46 46 THR N N 46 115.500 116.460 -0.960 2 1 492 . 1 1 A 47 47 ASN H H 47 8.590 8.700 -0.110 2 1 493 . 1 1 A 47 47 ASN HA H 47 4.620 5.023 -0.403 2 1 498 . 1 1 A 47 47 ASN CA C 47 53.400 53.193 0.207 2 1 499 . 1 1 A 47 47 ASN CB C 47 38.400 39.272 -0.872 2 1 500 . 1 1 A 47 47 ASN N N 47 122.400 123.134 -0.734 2 1 502 . 1 1 A 50 50 SER H H 50 8.480 8.488 -0.008 2 1 503 . 1 1 A 50 50 SER HA H 50 4.400 4.591 -0.191 2 1 506 . 1 1 A 50 50 SER CA C 50 58.900 58.466 0.434 2 1 507 . 1 1 A 50 50 SER CB C 50 63.600 64.047 -0.447 2 1 508 . 1 1 A 50 50 SER N N 50 116.600 118.540 -1.940 2 1 509 . 1 1 A 51 51 GLU H H 51 8.510 8.312 0.198 2 1 510 . 1 1 A 51 51 GLU HA H 51 4.300 4.412 -0.112 2 1 515 . 1 1 A 51 51 GLU CA C 51 56.800 57.231 -0.431 2 1 516 . 1 1 A 51 51 GLU CB C 51 29.900 30.026 -0.126 2 1 518 . 1 1 A 51 51 GLU N N 51 121.800 122.784 -0.984 2 1 519 . 1 1 A 52 52 GLN H H 52 8.300 8.340 -0.040 2 1 520 . 1 1 A 52 52 GLN HA H 52 4.310 4.484 -0.174 2 1 527 . 1 1 A 52 52 GLN CA C 52 55.900 55.726 0.174 2 1 528 . 1 1 A 52 52 GLN CB C 52 29.000 29.172 -0.172 2 1 530 . 1 1 A 52 52 GLN N N 52 119.500 121.587 -2.087 2 1 532 . 1 1 A 53 53 ARG H H 53 8.350 8.610 -0.260 2 1 533 . 1 1 A 53 53 ARG HA H 53 4.310 4.358 -0.048 2 1 540 . 1 1 A 53 53 ARG CA C 53 56.800 56.875 -0.075 2 1 541 . 1 1 A 53 53 ARG CB C 53 30.700 30.444 0.256 2 1 544 . 1 1 A 53 53 ARG N N 53 121.000 123.100 -2.100 2 1 545 . 1 1 A 54 54 THR H H 54 8.140 8.275 -0.135 2 1 546 . 1 1 A 54 54 THR HA H 54 4.340 4.416 -0.076 2 1 551 . 1 1 A 54 54 THR CA C 54 61.900 62.404 -0.504 2 1 552 . 1 1 A 54 54 THR CB C 54 69.600 69.290 0.310 2 1 554 . 1 1 A 54 54 THR N N 54 113.100 115.112 -2.012 2 1 555 . 1 1 A 64 64 TYR H H 64 8.220 8.467 -0.247 2 1 556 . 1 1 A 64 64 TYR HA H 64 3.360 3.557 -0.197 2 1 563 . 1 1 A 64 64 TYR CA C 64 61.600 61.506 0.094 2 1 564 . 1 1 A 64 64 TYR CB C 64 37.700 38.632 -0.932 2 1 567 . 1 1 A 64 64 TYR N N 64 120.700 121.863 -1.163 2 1 568 . 1 1 A 65 65 ARG H H 65 8.340 8.266 0.074 2 1 569 . 1 1 A 65 65 ARG HA H 65 3.930 3.797 0.133 2 1 576 . 1 1 A 65 65 ARG CA C 65 59.600 59.554 0.046 2 1 577 . 1 1 A 65 65 ARG CB C 65 30.100 30.029 0.071 2 1 580 . 1 1 A 65 65 ARG N N 65 119.200 118.461 0.739 2 1 581 . 1 1 A 66 66 ALA H H 66 7.790 7.840 -0.050 2 1 582 . 1 1 A 66 66 ALA HA H 66 4.090 4.074 0.016 2 1 586 . 1 1 A 66 66 ALA CA C 66 54.700 54.842 -0.142 2 1 587 . 1 1 A 66 66 ALA CB C 66 18.100 18.184 -0.084 2 1 588 . 1 1 A 66 66 ALA N N 66 121.900 121.727 0.173 2 1 589 . 1 1 A 67 67 ALA H H 67 7.550 7.587 -0.037 2 1 590 . 1 1 A 67 67 ALA HA H 67 2.940 3.544 -0.604 2 1 594 . 1 1 A 67 67 ALA CA C 67 54.300 54.760 -0.460 2 1 595 . 1 1 A 67 67 ALA CB C 67 18.000 17.689 0.311 2 1 596 . 1 1 A 67 67 ALA N N 67 123.000 120.309 2.691 2 1 597 . 1 1 A 68 68 ASP H H 68 8.320 8.305 0.015 2 1 598 . 1 1 A 68 68 ASP HA H 68 4.100 4.056 0.044 2 1 601 . 1 1 A 68 68 ASP CA C 68 56.800 56.637 0.163 2 1 602 . 1 1 A 68 68 ASP CB C 68 41.400 41.019 0.381 2 1 603 . 1 1 A 68 68 ASP N N 68 118.100 118.147 -0.047 2 1 604 . 1 1 A 69 69 ALA H H 69 7.790 8.155 -0.365 2 1 605 . 1 1 A 69 69 ALA HA H 69 4.010 4.000 0.010 2 1 609 . 1 1 A 69 69 ALA CA C 69 55.000 54.946 0.054 2 1 610 . 1 1 A 69 69 ALA CB C 69 17.600 18.183 -0.583 2 1 611 . 1 1 A 69 69 ALA N N 69 121.200 120.645 0.555 2 1 612 . 1 1 A 70 70 ALA H H 70 7.490 7.911 -0.421 2 1 613 . 1 1 A 70 70 ALA HA H 70 4.070 4.080 -0.010 2 1 617 . 1 1 A 70 70 ALA CA C 70 54.500 54.851 -0.351 2 1 618 . 1 1 A 70 70 ALA CB C 70 17.900 18.185 -0.285 2 1 619 . 1 1 A 70 70 ALA N N 70 121.200 119.872 1.328 2 1 620 . 1 1 A 71 71 ALA H H 71 8.620 8.066 0.554 2 1 621 . 1 1 A 71 71 ALA HA H 71 3.660 3.957 -0.297 2 1 625 . 1 1 A 71 71 ALA CA C 71 55.300 55.316 -0.016 2 1 626 . 1 1 A 71 71 ALA CB C 71 17.800 18.093 -0.293 2 1 627 . 1 1 A 71 71 ALA N N 71 121.600 120.436 1.164 2 1 628 . 1 1 A 72 72 GLN H H 72 8.700 8.236 0.464 2 1 629 . 1 1 A 72 72 GLN HA H 72 4.080 4.016 0.064 2 1 636 . 1 1 A 72 72 GLN CA C 72 59.000 58.649 0.351 2 1 637 . 1 1 A 72 72 GLN CB C 72 28.000 28.264 -0.264 2 1 639 . 1 1 A 72 72 GLN N N 72 118.600 116.950 1.650 2 1 641 . 1 1 A 73 73 GLU H H 73 7.640 8.434 -0.794 2 1 642 . 1 1 A 73 73 GLU HA H 73 4.080 4.026 0.054 2 1 647 . 1 1 A 73 73 GLU CA C 73 58.800 59.163 -0.363 2 1 648 . 1 1 A 73 73 GLU CB C 73 29.600 29.368 0.232 2 1 650 . 1 1 A 73 73 GLU N N 73 119.000 120.257 -1.257 2 1 651 . 1 1 A 74 74 GLN H H 74 7.400 7.726 -0.326 2 1 652 . 1 1 A 74 74 GLN HA H 74 4.470 4.337 0.133 2 1 659 . 1 1 A 74 74 GLN CA C 74 55.000 55.504 -0.504 2 1 660 . 1 1 A 74 74 GLN CB C 74 30.900 29.228 1.672 2 1 662 . 1 1 A 74 74 GLN N N 74 114.600 116.571 -1.971 2 1 664 . 1 1 A 75 75 GLY H H 75 7.830 8.345 -0.515 2 1 665 . 1 1 A 75 75 GLY HA2 H 75 3.950 3.929 0.021 2 1 666 . 1 1 A 75 75 GLY HA3 H 75 3.870 3.938 -0.068 2 1 667 . 1 1 A 75 75 GLY CA C 75 46.500 46.166 0.334 2 1 668 . 1 1 A 75 75 GLY N N 75 109.300 108.944 0.356 2 1 669 . 1 1 A 76 76 LEU H H 76 8.110 8.323 -0.213 2 1 670 . 1 1 A 76 76 LEU HA H 76 4.650 4.932 -0.282 2 1 680 . 1 1 A 76 76 LEU CA C 76 52.500 53.084 -0.584 2 1 681 . 1 1 A 76 76 LEU CB C 76 45.700 45.365 0.335 2 1 685 . 1 1 A 76 76 LEU N N 76 119.300 120.427 -1.127 2 1 686 . 1 1 A 77 77 ASP H H 77 8.990 9.317 -0.327 2 1 687 . 1 1 A 77 77 ASP HA H 77 5.120 5.146 -0.026 2 1 690 . 1 1 A 77 77 ASP CA C 77 52.600 52.473 0.127 2 1 691 . 1 1 A 77 77 ASP CB C 77 44.600 43.990 0.610 2 1 692 . 1 1 A 77 77 ASP N N 77 117.600 118.179 -0.579 2 1 693 . 1 1 A 78 78 VAL H H 78 9.070 8.949 0.121 2 1 694 . 1 1 A 78 78 VAL HA H 78 4.090 4.239 -0.149 2 1 702 . 1 1 A 78 78 VAL CA C 78 63.900 63.016 0.884 2 1 703 . 1 1 A 78 78 VAL CB C 78 30.900 31.191 -0.291 2 1 706 . 1 1 A 78 78 VAL N N 78 121.900 120.766 1.134 2 1 707 . 1 1 A 79 79 VAL H H 79 8.360 8.787 -0.427 2 1 708 . 1 1 A 79 79 VAL HA H 79 4.300 4.343 -0.043 2 1 716 . 1 1 A 79 79 VAL CA C 79 59.500 62.135 -2.635 2 1 717 . 1 1 A 79 79 VAL CB C 79 32.600 32.626 -0.026 2 1 720 . 1 1 A 79 79 VAL N N 79 116.700 122.099 -5.399 2 1 721 . 1 1 A 80 80 GLY H H 80 6.970 7.336 -0.366 2 1 722 . 1 1 A 80 80 GLY HA2 H 80 4.380 4.146 0.234 2 1 723 . 1 1 A 80 80 GLY HA3 H 80 3.550 4.269 -0.719 2 1 724 . 1 1 A 80 80 GLY CA C 80 46.900 45.965 0.935 2 1 725 . 1 1 A 80 80 GLY N N 80 106.200 108.985 -2.785 2 1 726 . 1 1 A 81 81 VAL H H 81 8.510 8.566 -0.056 2 1 727 . 1 1 A 81 81 VAL HA H 81 4.900 4.993 -0.093 2 1 735 . 1 1 A 81 81 VAL CA C 81 59.400 60.374 -0.974 2 1 736 . 1 1 A 81 81 VAL CB C 81 37.600 35.796 1.804 2 1 739 . 1 1 A 81 81 VAL N N 81 116.200 119.382 -3.182 2 1 740 . 1 1 A 82 82 TYR H H 82 8.370 8.642 -0.272 2 1 741 . 1 1 A 82 82 TYR HA H 82 6.000 6.051 -0.051 2 1 748 . 1 1 A 82 82 TYR CA C 82 54.900 55.564 -0.664 2 1 749 . 1 1 A 82 82 TYR CB C 82 42.800 42.291 0.508 2 1 752 . 1 1 A 82 82 TYR N N 82 118.100 121.636 -3.536 2 1 753 . 1 1 A 83 83 HIS H H 83 8.520 9.089 -0.569 2 1 754 . 1 1 A 83 83 HIS HA H 83 5.150 5.250 -0.100 2 1 759 . 1 1 A 83 83 HIS CA C 83 54.900 54.307 0.593 2 1 760 . 1 1 A 83 83 HIS CB C 83 33.200 33.023 0.177 2 1 763 . 1 1 A 83 83 HIS N N 83 115.400 119.463 -4.063 2 1 764 . 1 1 A 84 84 SER H H 84 9.060 8.886 0.174 2 1 765 . 1 1 A 84 84 SER HA H 84 5.590 5.388 0.202 2 1 768 . 1 1 A 84 84 SER CA C 84 55.800 57.178 -1.378 2 1 769 . 1 1 A 84 84 SER CB C 84 65.500 65.226 0.274 2 1 770 . 1 1 A 84 84 SER N N 84 117.100 118.058 -0.958 2 1 771 . 1 1 A 85 85 HIS H H 85 8.980 8.831 0.149 2 1 772 . 1 1 A 85 85 HIS HA H 85 4.830 5.108 -0.278 2 1 777 . 1 1 A 85 85 HIS CA C 85 50.400 53.817 -3.417 2 1 778 . 1 1 A 85 85 HIS CB C 85 32.000 31.534 0.466 2 1 781 . 1 1 A 85 85 HIS N N 85 117.600 121.954 -4.354 2 1 782 . 1 1 A 86 86 PRO HA H 86 5.080 4.795 0.285 2 1 789 . 1 1 A 86 86 PRO CA C 86 62.400 63.129 -0.729 2 1 790 . 1 1 A 86 86 PRO CB C 86 32.400 31.768 0.632 2 1 793 . 1 1 A 87 87 ASP H H 87 10.300 8.554 1.746 2 1 794 . 1 1 A 87 87 ASP HA H 87 4.320 4.600 -0.280 2 1 797 . 1 1 A 87 87 ASP CA C 87 56.600 54.988 1.612 2 1 798 . 1 1 A 87 87 ASP CB C 87 39.600 41.589 -1.989 2 1 799 . 1 1 A 87 87 ASP N N 87 123.100 120.794 2.306 2 1 800 . 1 1 A 88 88 HIS H H 88 7.500 8.242 -0.742 2 1 801 . 1 1 A 88 88 HIS HA H 88 5.050 4.788 0.262 2 1 806 . 1 1 A 88 88 HIS CA C 88 54.700 55.183 -0.483 2 1 807 . 1 1 A 88 88 HIS CB C 88 32.400 30.600 1.800 2 1 810 . 1 1 A 88 88 HIS N N 88 115.000 118.032 -3.032 2 1 811 . 1 1 A 89 89 PRO HA H 89 4.370 4.550 -0.180 2 1 818 . 1 1 A 89 89 PRO CA C 89 62.700 63.116 -0.416 2 1 819 . 1 1 A 89 89 PRO CB C 89 31.600 31.832 -0.232 2 1 822 . 1 1 A 90 90 ALA H H 90 8.020 8.295 -0.275 2 1 823 . 1 1 A 90 90 ALA HA H 90 4.290 4.250 0.040 2 1 827 . 1 1 A 90 90 ALA CA C 90 50.800 52.763 -1.963 2 1 828 . 1 1 A 90 90 ALA CB C 90 16.600 18.760 -2.160 2 1 829 . 1 1 A 90 90 ALA N N 90 125.800 121.473 4.327 2 1 830 . 1 1 A 91 91 ARG H H 91 7.990 8.017 -0.027 2 1 831 . 1 1 A 91 91 ARG HA H 91 4.300 4.410 -0.110 2 1 838 . 1 1 A 91 91 ARG CA C 91 53.100 54.433 -1.333 2 1 839 . 1 1 A 91 91 ARG CB C 91 31.800 31.047 0.753 2 1 842 . 1 1 A 91 91 ARG N N 91 121.900 116.791 5.109 2 1 843 . 1 1 A 92 92 PRO HA H 92 4.070 4.285 -0.215 2 1 850 . 1 1 A 92 92 PRO CA C 92 62.300 62.514 -0.214 2 1 851 . 1 1 A 92 92 PRO CB C 92 32.500 31.566 0.934 2 1 854 . 1 1 A 93 93 SER H H 93 9.960 8.516 1.444 2 1 855 . 1 1 A 93 93 SER HA H 93 4.630 4.620 0.010 2 1 858 . 1 1 A 93 93 SER CA C 93 56.300 56.982 -0.682 2 1 859 . 1 1 A 93 93 SER CB C 93 66.500 65.122 1.378 2 1 860 . 1 1 A 93 93 SER N N 93 121.800 116.812 4.988 2 1 861 . 1 1 A 94 94 ALA H H 94 8.880 8.915 -0.036 2 1 862 . 1 1 A 94 94 ALA HA H 94 4.130 3.994 0.136 2 1 866 . 1 1 A 94 94 ALA CA C 94 55.400 55.524 -0.124 2 1 867 . 1 1 A 94 94 ALA CB C 94 18.000 18.145 -0.145 2 1 868 . 1 1 A 94 94 ALA N N 94 123.100 125.118 -2.018 2 1 869 . 1 1 A 95 95 THR H H 95 7.870 7.910 -0.040 2 1 870 . 1 1 A 95 95 THR HA H 95 3.920 4.047 -0.127 2 1 875 . 1 1 A 95 95 THR CA C 95 65.700 66.651 -0.951 2 1 876 . 1 1 A 95 95 THR CB C 95 68.400 68.365 0.035 2 1 878 . 1 1 A 95 95 THR N N 95 114.300 114.197 0.103 2 1 879 . 1 1 A 96 96 ASP H H 96 7.420 8.139 -0.719 2 1 880 . 1 1 A 96 96 ASP HA H 96 4.230 4.313 -0.083 2 1 883 . 1 1 A 96 96 ASP CA C 96 57.400 57.325 0.075 2 1 884 . 1 1 A 96 96 ASP CB C 96 40.100 41.086 -0.986 2 1 885 . 1 1 A 96 96 ASP N N 96 121.000 121.332 -0.332 2 1 886 . 1 1 A 97 97 LEU H H 97 7.490 7.975 -0.485 2 1 887 . 1 1 A 97 97 LEU HA H 97 4.000 4.262 -0.262 2 1 897 . 1 1 A 97 97 LEU CA C 97 57.600 57.872 -0.272 2 1 898 . 1 1 A 97 97 LEU CB C 97 41.400 41.677 -0.277 2 1 902 . 1 1 A 97 97 LEU N N 97 118.900 120.615 -1.715 2 1 903 . 1 1 A 98 98 GLU H H 98 7.690 8.229 -0.539 2 1 904 . 1 1 A 98 98 GLU HA H 98 3.900 3.992 -0.092 2 1 909 . 1 1 A 98 98 GLU CA C 98 58.700 59.713 -1.013 2 1 910 . 1 1 A 98 98 GLU CB C 98 29.600 29.306 0.294 2 1 912 . 1 1 A 98 98 GLU N N 98 119.100 118.731 0.369 2 1 913 . 1 1 A 99 99 GLU H H 99 7.500 7.795 -0.295 2 1 914 . 1 1 A 99 99 GLU HA H 99 4.200 4.347 -0.147 2 1 919 . 1 1 A 99 99 GLU CA C 99 56.100 56.988 -0.888 2 1 920 . 1 1 A 99 99 GLU CB C 99 30.000 29.888 0.112 2 1 922 . 1 1 A 99 99 GLU N N 99 114.300 117.267 -2.967 2 1 923 . 1 1 A 100 100 ALA H H 100 7.400 7.399 0.001 2 1 924 . 1 1 A 100 100 ALA HA H 100 4.620 4.355 0.265 2 1 928 . 1 1 A 100 100 ALA CA C 100 52.000 51.251 0.749 2 1 929 . 1 1 A 100 100 ALA CB C 100 18.100 17.876 0.224 2 1 930 . 1 1 A 100 100 ALA N N 100 125.900 123.886 2.014 2 1 931 . 1 1 A 101 101 THR H H 101 7.790 8.405 -0.615 2 1 932 . 1 1 A 101 101 THR HA H 101 4.050 4.515 -0.465 2 1 937 . 1 1 A 101 101 THR CA C 101 61.200 62.040 -0.840 2 1 938 . 1 1 A 101 101 THR CB C 101 68.900 69.282 -0.382 2 1 940 . 1 1 A 101 101 THR N N 101 111.700 117.841 -6.141 2 1 941 . 1 1 A 102 102 PHE H H 102 7.320 7.486 -0.166 2 1 942 . 1 1 A 102 102 PHE HA H 102 4.750 5.027 -0.277 2 1 950 . 1 1 A 102 102 PHE CA C 102 54.300 54.826 -0.526 2 1 951 . 1 1 A 102 102 PHE CB C 102 38.200 39.172 -0.972 2 1 955 . 1 1 A 102 102 PHE N N 102 120.200 118.957 1.243 2 1 956 . 1 1 A 103 103 PRO HA H 103 4.480 4.559 -0.079 2 1 963 . 1 1 A 103 103 PRO CA C 103 64.100 63.733 0.367 2 1 964 . 1 1 A 103 103 PRO CB C 103 32.000 31.763 0.237 2 1 967 . 1 1 A 104 104 GLY H H 104 8.920 8.855 0.065 2 1 968 . 1 1 A 104 104 GLY HA2 H 104 4.270 3.897 0.373 2 1 969 . 1 1 A 104 104 GLY HA3 H 104 4.160 3.953 0.207 2 1 970 . 1 1 A 104 104 GLY CA C 104 45.600 45.246 0.354 2 1 971 . 1 1 A 104 104 GLY N N 104 109.600 111.262 -1.662 2 1 972 . 1 1 A 105 105 PHE H H 105 7.250 8.003 -0.753 2 1 973 . 1 1 A 105 105 PHE HA H 105 4.930 4.713 0.217 2 1 981 . 1 1 A 105 105 PHE CA C 105 54.900 57.614 -2.714 2 1 982 . 1 1 A 105 105 PHE CB C 105 39.400 40.871 -1.471 2 1 986 . 1 1 A 105 105 PHE N N 105 120.100 119.448 0.651 2 1 987 . 1 1 A 106 106 THR H H 106 8.110 8.532 -0.422 2 1 988 . 1 1 A 106 106 THR HA H 106 4.840 4.731 0.109 2 1 993 . 1 1 A 106 106 THR CA C 106 64.400 62.295 2.104 2 1 994 . 1 1 A 106 106 THR CB C 106 70.500 69.657 0.843 2 1 996 . 1 1 A 106 106 THR N N 106 118.600 117.493 1.107 2 1 997 . 1 1 A 107 107 TYR H H 107 9.660 9.318 0.342 2 1 998 . 1 1 A 107 107 TYR HA H 107 5.150 5.628 -0.478 2 1 1005 . 1 1 A 107 107 TYR CA C 107 56.900 57.254 -0.354 2 1 1006 . 1 1 A 107 107 TYR CB C 107 38.900 39.721 -0.821 2 1 1009 . 1 1 A 107 107 TYR N N 107 126.600 127.192 -0.592 2 1 1010 . 1 1 A 108 108 VAL H H 108 9.270 9.441 -0.172 2 1 1011 . 1 1 A 108 108 VAL HA H 108 5.220 4.800 0.420 2 1 1019 . 1 1 A 108 108 VAL CA C 108 60.800 62.189 -1.389 2 1 1020 . 1 1 A 108 108 VAL CB C 108 33.500 32.778 0.722 2 1 1023 . 1 1 A 108 108 VAL N N 108 124.400 124.168 0.232 2 1 1024 . 1 1 A 109 109 ILE H H 109 9.300 9.664 -0.364 2 1 1025 . 1 1 A 109 109 ILE HA H 109 5.150 5.011 0.139 2 1 1035 . 1 1 A 109 109 ILE CA C 109 58.000 59.616 -1.616 2 1 1036 . 1 1 A 109 109 ILE CB C 109 39.600 39.654 -0.054 2 1 1040 . 1 1 A 109 109 ILE N N 109 128.500 128.898 -0.398 2 1 1041 . 1 1 A 110 110 VAL H H 110 7.910 8.931 -1.021 2 1 1042 . 1 1 A 110 110 VAL HA H 110 5.650 5.051 0.599 2 1 1050 . 1 1 A 110 110 VAL CA C 110 56.800 59.685 -2.885 2 1 1051 . 1 1 A 110 110 VAL CB C 110 35.400 34.373 1.027 2 1 1054 . 1 1 A 110 110 VAL N N 110 122.600 128.967 -6.367 2 1 1055 . 1 1 A 111 111 SER H H 111 9.390 9.027 0.363 2 1 1056 . 1 1 A 111 111 SER HA H 111 4.850 4.876 -0.026 2 1 1059 . 1 1 A 111 111 SER CA C 111 57.700 57.341 0.359 2 1 1060 . 1 1 A 111 111 SER CB C 111 64.500 63.756 0.744 2 1 1061 . 1 1 A 111 111 SER N N 111 124.700 124.686 0.014 2 1 1062 . 1 1 A 112 112 VAL H H 112 7.850 9.197 -1.347 2 1 1063 . 1 1 A 112 112 VAL HA H 112 4.530 4.700 -0.170 2 1 1071 . 1 1 A 112 112 VAL CA C 112 61.000 61.271 -0.271 2 1 1072 . 1 1 A 112 112 VAL CB C 112 33.800 33.351 0.449 2 1 1075 . 1 1 A 112 112 VAL N N 112 126.100 127.836 -1.736 2 1 1076 . 1 1 A 113 113 ARG H H 113 8.620 9.237 -0.617 2 1 1077 . 1 1 A 113 113 ARG HA H 113 5.020 4.636 0.384 2 1 1084 . 1 1 A 113 113 ARG CA C 113 54.100 54.659 -0.559 2 1 1085 . 1 1 A 113 113 ARG CB C 113 31.500 30.308 1.192 2 1 1088 . 1 1 A 113 113 ARG N N 113 128.800 127.485 1.315 2 1 1089 . 1 1 A 114 114 ASP H H 114 9.650 8.943 0.707 2 1 1090 . 1 1 A 114 114 ASP HA H 114 4.370 4.256 0.114 2 1 1093 . 1 1 A 114 114 ASP CA C 114 55.100 55.066 0.034 2 1 1094 . 1 1 A 114 114 ASP CB C 114 39.800 39.978 -0.178 2 1 1095 . 1 1 A 114 114 ASP N N 114 128.100 124.388 3.712 2 1 1096 . 1 1 A 115 115 GLY H H 115 8.350 8.098 0.252 2 1 1097 . 1 1 A 115 115 GLY HA2 H 115 3.980 3.764 0.216 2 1 1098 . 1 1 A 115 115 GLY HA3 H 115 2.460 3.872 -1.412 2 1 1099 . 1 1 A 115 115 GLY CA C 115 45.500 45.088 0.412 2 1 1100 . 1 1 A 115 115 GLY N N 115 109.900 105.731 4.169 2 1 1101 . 1 1 A 116 116 ALA H H 116 7.610 7.598 0.012 2 1 1102 . 1 1 A 116 116 ALA HA H 116 4.920 4.499 0.421 2 1 1106 . 1 1 A 116 116 ALA CA C 116 48.200 49.202 -1.002 2 1 1107 . 1 1 A 116 116 ALA CB C 116 19.600 19.974 -0.374 2 1 1108 . 1 1 A 116 116 ALA N N 116 123.900 124.126 -0.226 2 1 1109 . 1 1 A 117 117 PRO HA H 117 4.670 4.784 -0.114 2 1 1116 . 1 1 A 117 117 PRO CA C 117 62.900 62.646 0.254 2 1 1117 . 1 1 A 117 117 PRO CB C 117 31.500 31.777 -0.277 2 1 1120 . 1 1 A 118 118 GLU H H 118 8.900 9.302 -0.402 2 1 1121 . 1 1 A 118 118 GLU HA H 118 4.540 4.336 0.204 2 1 1126 . 1 1 A 118 118 GLU CA C 118 56.200 58.654 -2.454 2 1 1127 . 1 1 A 118 118 GLU CB C 118 30.500 30.551 -0.051 2 1 1129 . 1 1 A 118 118 GLU N N 118 127.400 123.621 3.779 2 1 1130 . 1 1 A 119 119 ALA H H 119 8.060 7.794 0.266 2 1 1131 . 1 1 A 119 119 ALA HA H 119 4.460 4.723 -0.263 2 1 1135 . 1 1 A 119 119 ALA CA C 119 52.600 50.953 1.647 2 1 1136 . 1 1 A 119 119 ALA CB C 119 21.000 22.675 -1.675 2 1 1137 . 1 1 A 119 119 ALA N N 119 123.500 120.059 3.441 2 1 1138 . 1 1 A 120 120 LEU H H 120 8.170 8.758 -0.588 2 1 1139 . 1 1 A 120 120 LEU HA H 120 5.400 5.252 0.148 2 1 1149 . 1 1 A 120 120 LEU CA C 120 55.000 53.403 1.597 2 1 1150 . 1 1 A 120 120 LEU CB C 120 45.300 44.201 1.099 2 1 1154 . 1 1 A 120 120 LEU N N 120 123.500 120.718 2.782 2 1 1155 . 1 1 A 121 121 THR H H 121 9.450 9.114 0.336 2 1 1156 . 1 1 A 121 121 THR HA H 121 4.520 5.040 -0.520 2 1 1161 . 1 1 A 121 121 THR CA C 121 58.700 60.252 -1.552 2 1 1162 . 1 1 A 121 121 THR CB C 121 72.100 71.817 0.283 2 1 1164 . 1 1 A 121 121 THR N N 121 117.400 116.364 1.036 2 1 1165 . 1 1 A 122 122 ALA H H 122 8.620 8.607 0.013 2 1 1166 . 1 1 A 122 122 ALA HA H 122 5.370 5.549 -0.179 2 1 1170 . 1 1 A 122 122 ALA CA C 122 50.400 49.867 0.533 2 1 1171 . 1 1 A 122 122 ALA CB C 122 21.900 22.374 -0.474 2 1 1172 . 1 1 A 122 122 ALA N N 122 123.400 124.857 -1.457 2 1 1173 . 1 1 A 123 123 TRP H H 123 8.740 9.521 -0.781 2 1 1174 . 1 1 A 123 123 TRP HA H 123 5.090 5.464 -0.374 2 1 1183 . 1 1 A 123 123 TRP CA C 123 56.700 56.432 0.268 2 1 1184 . 1 1 A 123 123 TRP CB C 123 33.300 33.439 -0.139 2 1 1190 . 1 1 A 123 123 TRP N N 123 118.700 121.119 -2.419 2 1 1192 . 1 1 A 124 124 ALA H H 124 9.570 9.390 0.180 2 1 1193 . 1 1 A 124 124 ALA HA H 124 5.360 5.390 -0.030 2 1 1197 . 1 1 A 124 124 ALA CA C 124 50.300 50.364 -0.064 2 1 1198 . 1 1 A 124 124 ALA CB C 124 22.600 20.934 1.666 2 1 1199 . 1 1 A 124 124 ALA N N 124 123.200 125.702 -2.502 2 1 1200 . 1 1 A 125 125 LEU H H 125 9.830 8.977 0.853 2 1 1201 . 1 1 A 125 125 LEU HA H 125 4.190 4.400 -0.210 2 1 1211 . 1 1 A 125 125 LEU CA C 125 54.700 54.595 0.105 2 1 1212 . 1 1 A 125 125 LEU CB C 125 44.000 43.421 0.579 2 1 1216 . 1 1 A 125 125 LEU N N 125 125.000 125.817 -0.817 2 1 1217 . 1 1 A 126 126 ALA H H 126 8.310 8.554 -0.244 2 1 1218 . 1 1 A 126 126 ALA HA H 126 4.460 4.514 -0.054 2 1 1222 . 1 1 A 126 126 ALA CA C 126 51.100 50.765 0.335 2 1 1223 . 1 1 A 126 126 ALA CB C 126 18.300 18.099 0.201 2 1 1224 . 1 1 A 126 126 ALA N N 126 127.000 129.348 -2.348 2 1 1225 . 1 1 A 127 127 PRO HA H 127 4.340 4.338 0.002 2 1 1232 . 1 1 A 127 127 PRO CA C 127 65.400 65.076 0.324 2 1 1233 . 1 1 A 127 127 PRO CB C 127 31.800 31.832 -0.032 2 1 1236 . 1 1 A 128 128 ASP H H 128 7.680 7.864 -0.184 2 1 1237 . 1 1 A 128 128 ASP HA H 128 4.550 4.692 -0.142 2 1 1240 . 1 1 A 128 128 ASP CA C 128 52.900 54.014 -1.114 2 1 1241 . 1 1 A 128 128 ASP CB C 128 39.600 40.953 -1.353 2 1 1242 . 1 1 A 128 128 ASP N N 128 113.100 116.024 -2.924 2 1 1243 . 1 1 A 129 129 ARG H H 129 8.500 8.244 0.256 2 1 1244 . 1 1 A 129 129 ARG HA H 129 3.500 3.884 -0.384 2 1 1251 . 1 1 A 129 129 ARG CA C 129 57.600 57.014 0.586 2 1 1252 . 1 1 A 129 129 ARG CB C 129 26.900 27.767 -0.867 2 1 1255 . 1 1 A 129 129 ARG N N 129 113.100 118.143 -5.043 2 1 1256 . 1 1 A 130 130 SER H H 130 8.050 8.074 -0.024 2 1 1257 . 1 1 A 130 130 SER HA H 130 4.020 4.415 -0.395 2 1 1260 . 1 1 A 130 130 SER CA C 130 60.100 60.242 -0.142 2 1 1261 . 1 1 A 130 130 SER CB C 130 63.600 64.114 -0.514 2 1 1262 . 1 1 A 130 130 SER N N 130 111.100 113.954 -2.854 2 1 1263 . 1 1 A 131 131 GLU H H 131 7.060 7.666 -0.606 2 1 1264 . 1 1 A 131 131 GLU HA H 131 4.420 4.495 -0.075 2 1 1269 . 1 1 A 131 131 GLU CA C 131 54.400 55.119 -0.719 2 1 1270 . 1 1 A 131 131 GLU CB C 131 31.800 31.363 0.437 2 1 1272 . 1 1 A 131 131 GLU N N 131 114.400 115.946 -1.546 2 1 1273 . 1 1 A 132 132 PHE H H 132 8.740 8.593 0.147 2 1 1274 . 1 1 A 132 132 PHE HA H 132 5.390 5.548 -0.158 2 1 1282 . 1 1 A 132 132 PHE CA C 132 57.200 56.525 0.675 2 1 1283 . 1 1 A 132 132 PHE CB C 132 42.900 41.870 1.030 2 1 1287 . 1 1 A 132 132 PHE N N 132 117.300 117.355 -0.055 2 1 1288 . 1 1 A 133 133 HIS H H 133 9.870 9.498 0.372 2 1 1289 . 1 1 A 133 133 HIS HA H 133 5.380 5.378 0.002 2 1 1294 . 1 1 A 133 133 HIS CA C 133 53.300 54.451 -1.151 2 1 1295 . 1 1 A 133 133 HIS CB C 133 32.700 33.188 -0.488 2 1 1298 . 1 1 A 133 133 HIS N N 133 117.900 118.637 -0.737 2 1 1299 . 1 1 A 134 134 ARG H H 134 9.080 8.767 0.313 2 1 1300 . 1 1 A 134 134 ARG HA H 134 3.500 4.050 -0.550 2 1 1307 . 1 1 A 134 134 ARG CA C 134 57.100 56.268 0.832 2 1 1308 . 1 1 A 134 134 ARG CB C 134 30.100 30.900 -0.800 2 1 1311 . 1 1 A 134 134 ARG N N 134 125.600 123.901 1.699 2 1 1312 . 1 1 A 135 135 GLU H H 135 8.410 8.530 -0.120 2 1 1313 . 1 1 A 135 135 GLU HA H 135 4.550 4.946 -0.396 2 1 1318 . 1 1 A 135 135 GLU CA C 135 54.000 54.696 -0.696 2 1 1319 . 1 1 A 135 135 GLU CB C 135 33.000 33.370 -0.370 2 1 1321 . 1 1 A 135 135 GLU N N 135 128.500 126.016 2.484 2 1 1322 . 1 1 A 136 136 ASP H H 136 8.480 8.749 -0.269 2 1 1323 . 1 1 A 136 136 ASP HA H 136 4.460 5.104 -0.644 2 1 1326 . 1 1 A 136 136 ASP CA C 136 54.700 53.141 1.559 2 1 1327 . 1 1 A 136 136 ASP CB C 136 41.500 43.360 -1.860 2 1 1328 . 1 1 A 136 136 ASP N N 136 124.300 123.749 0.551 2 1 1329 . 1 1 A 137 137 ILE H H 137 8.340 8.542 -0.202 2 1 1330 . 1 1 A 137 137 ILE HA H 137 4.570 4.419 0.151 2 1 1340 . 1 1 A 137 137 ILE CA C 137 61.400 60.444 0.956 2 1 1341 . 1 1 A 137 137 ILE CB C 137 38.600 37.520 1.080 2 1 1345 . 1 1 A 137 137 ILE N N 137 121.100 123.448 -2.348 2 1 1346 . 1 1 A 138 138 VAL H H 138 8.730 9.008 -0.278 2 1 1347 . 1 1 A 138 138 VAL HA H 138 4.570 4.813 -0.243 2 1 1355 . 1 1 A 138 138 VAL CA C 138 59.800 59.812 -0.012 2 1 1356 . 1 1 A 138 138 VAL CB C 138 34.700 34.755 -0.055 2 1 1359 . 1 1 A 138 138 VAL N N 138 125.100 125.143 -0.043 2 1 1360 . 1 1 A 139 139 ARG H H 139 8.390 8.388 0.002 2 1 1361 . 1 1 A 139 139 ARG HA H 139 5.210 4.895 0.315 2 1 1368 . 1 1 A 139 139 ARG CA C 139 53.500 53.580 -0.080 2 1 1369 . 1 1 A 139 139 ARG CB C 139 30.100 30.165 -0.065 2 1 1372 . 1 1 A 139 139 ARG N N 139 122.800 124.264 -1.464 2 1 1373 . 1 1 A 140 140 PRO HA H 140 4.380 4.531 -0.151 2 1 1380 . 1 1 A 140 140 PRO CA C 140 62.400 62.795 -0.395 2 1 1381 . 1 1 A 140 140 PRO CB C 140 32.000 31.684 0.316 2 1 1384 . 1 1 A 141 141 ASP H H 141 8.520 8.463 0.057 2 1 1385 . 1 1 A 141 141 ASP HA H 141 4.780 4.850 -0.070 2 1 1388 . 1 1 A 141 141 ASP CA C 141 54.500 52.126 2.374 2 1 1389 . 1 1 A 141 141 ASP CB C 141 40.600 41.105 -0.505 2 1 1390 . 1 1 A 141 141 ASP N N 141 122.200 122.160 0.040 2 1 1391 . 1 1 A 142 142 PRO HA H 142 4.380 4.478 -0.098 2 1 1398 . 1 1 A 142 142 PRO CA C 142 63.500 63.680 -0.180 2 1 1399 . 1 1 A 142 142 PRO CB C 142 32.000 31.600 0.400 2 1 1402 . 1 1 A 143 143 GLU H H 143 8.460 8.227 0.233 2 1 1403 . 1 1 A 143 143 GLU HA H 143 4.260 4.408 -0.148 2 1 1408 . 1 1 A 143 143 GLU CA C 143 56.000 56.598 -0.598 2 1 1409 . 1 1 A 143 143 GLU CB C 143 30.000 30.618 -0.618 2 1 1411 . 1 1 A 143 143 GLU N N 143 119.500 119.006 0.494 2 1 1412 . 1 1 A 144 144 ALA H H 144 8.030 7.559 0.471 2 1 1413 . 1 1 A 144 144 ALA HA H 144 4.590 4.401 0.189 2 1 1417 . 1 1 A 144 144 ALA CA C 144 50.300 50.700 -0.400 2 1 1418 . 1 1 A 144 144 ALA CB C 144 18.300 18.958 -0.658 2 1 1419 . 1 1 A 144 144 ALA N N 144 125.800 123.213 2.587 2 1 1420 . 1 1 A 145 145 PRO HA H 145 4.400 4.596 -0.196 2 1 1427 . 1 1 A 145 145 PRO CA C 145 62.900 62.752 0.148 2 1 1428 . 1 1 A 145 145 PRO CB C 145 32.000 32.276 -0.276 2 1 1431 . 1 1 A 146 146 LEU H H 146 8.330 8.401 -0.071 2 1 1432 . 1 1 A 146 146 LEU HA H 146 4.230 4.517 -0.287 2 1 1442 . 1 1 A 146 146 LEU CA C 146 55.100 54.221 0.879 2 1 1443 . 1 1 A 146 146 LEU CB C 146 42.200 42.866 -0.666 2 1 1447 . 1 1 A 146 146 LEU N N 146 122.100 120.636 1.464 2 1 1448 . 1 1 A 147 147 GLU H H 147 8.300 8.455 -0.155 2 1 1449 . 1 1 A 147 147 GLU HA H 147 4.220 4.377 -0.157 2 1 1454 . 1 1 A 147 147 GLU CA C 147 56.200 56.420 -0.220 2 1 1455 . 1 1 A 147 147 GLU CB C 147 30.300 30.529 -0.229 2 stop_ save_