data_10194_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10194 _Entry.PDB_ID 2YUO _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 1 . 1 1 1 A 6 6 SER CA C 6 58.690 56.279 2.411 1 1 2 . 1 1 1 A 6 6 SER HA H 6 4.411 5.270 -0.859 1 1 3 . 1 1 1 A 7 7 GLY N N 7 110.826 113.876 -3.050 1 1 4 . 1 1 1 A 7 7 GLY H H 7 8.436 8.909 -0.473 1 1 5 . 1 1 1 A 7 7 GLY CA C 7 45.315 44.193 1.122 1 1 6 . 1 1 1 A 7 7 GLY HA2 H 7 4.029 4.100 -0.071 1 1 7 . 1 1 1 A 7 7 GLY HA3 H 7 3.918 4.104 -0.186 1 1 8 . 1 1 1 A 7 7 GLY C C 7 173.788 173.484 0.304 1 1 9 . 1 1 1 A 8 8 ARG N N 8 120.458 121.363 -0.905 1 1 10 . 1 1 1 A 8 8 ARG H H 8 8.272 7.861 0.411 1 1 11 . 1 1 1 A 8 8 ARG CA C 8 55.715 54.046 1.669 1 1 12 . 1 1 1 A 8 8 ARG HA H 8 4.500 5.025 -0.525 1 1 13 . 1 1 1 A 8 8 ARG CB C 8 31.541 33.421 -1.880 1 1 22 . 1 1 1 A 8 8 ARG C C 8 175.201 175.222 -0.021 1 1 23 . 1 1 1 A 9 9 ARG N N 9 121.537 120.122 1.415 1 1 24 . 1 1 1 A 9 9 ARG H H 9 8.879 8.508 0.371 1 1 25 . 1 1 1 A 9 9 ARG CA C 9 54.737 54.176 0.561 1 1 26 . 1 1 1 A 9 9 ARG HA H 9 5.288 5.355 -0.067 1 1 27 . 1 1 1 A 9 9 ARG CB C 9 34.064 33.659 0.405 1 1 36 . 1 1 1 A 9 9 ARG C C 9 174.910 174.330 0.580 1 1 37 . 1 1 1 A 10 10 ALA N N 10 122.000 126.003 -4.003 1 1 38 . 1 1 1 A 10 10 ALA H H 10 9.200 9.012 0.188 1 1 39 . 1 1 1 A 10 10 ALA CA C 10 50.229 50.033 0.196 1 1 40 . 1 1 1 A 10 10 ALA HA H 10 5.143 5.823 -0.680 1 1 41 . 1 1 1 A 10 10 ALA CB C 10 23.552 21.860 1.692 1 1 45 . 1 1 1 A 10 10 ALA C C 10 173.920 175.187 -1.267 1 1 46 . 1 1 1 A 11 11 LYS N N 11 121.984 122.740 -0.756 1 1 47 . 1 1 1 A 11 11 LYS H H 11 8.962 8.868 0.094 1 1 48 . 1 1 1 A 11 11 LYS CA C 11 53.936 55.422 -1.486 1 1 49 . 1 1 1 A 11 11 LYS HA H 11 5.043 4.636 0.407 1 1 50 . 1 1 1 A 11 11 LYS CB C 11 35.705 34.038 1.667 1 1 62 . 1 1 1 A 11 11 LYS C C 11 176.193 176.643 -0.450 1 1 63 . 1 1 1 A 12 12 ALA N N 12 128.384 128.858 -0.474 1 1 64 . 1 1 1 A 12 12 ALA H H 12 8.974 8.936 0.038 1 1 65 . 1 1 1 A 12 12 ALA CA C 12 52.878 52.495 0.383 1 1 66 . 1 1 1 A 12 12 ALA HA H 12 4.271 4.188 0.083 1 1 67 . 1 1 1 A 12 12 ALA CB C 12 21.024 18.855 2.169 1 1 71 . 1 1 1 A 12 12 ALA C C 12 179.524 177.124 2.400 1 1 72 . 1 1 1 A 13 13 LEU N N 13 126.125 124.670 1.455 1 1 73 . 1 1 1 A 13 13 LEU H H 13 9.490 8.871 0.619 1 1 74 . 1 1 1 A 13 13 LEU CA C 13 55.697 56.008 -0.311 1 1 75 . 1 1 1 A 13 13 LEU HA H 13 4.258 4.385 -0.127 1 1 76 . 1 1 1 A 13 13 LEU CB C 13 43.073 42.880 0.193 1 1 89 . 1 1 1 A 13 13 LEU C C 13 175.705 176.856 -1.151 1 1 90 . 1 1 1 A 14 14 LEU N N 14 116.229 113.533 2.696 1 1 91 . 1 1 1 A 14 14 LEU H H 14 7.638 7.701 -0.063 1 1 92 . 1 1 1 A 14 14 LEU CA C 14 53.715 53.755 -0.040 1 1 93 . 1 1 1 A 14 14 LEU HA H 14 4.436 4.803 -0.367 1 1 94 . 1 1 1 A 14 14 LEU CB C 14 45.286 44.481 0.805 1 1 107 . 1 1 1 A 14 14 LEU C C 14 173.987 174.644 -0.657 1 1 108 . 1 1 1 A 15 15 ASP N N 15 116.528 121.515 -4.987 1 1 109 . 1 1 1 A 15 15 ASP H H 15 8.047 8.708 -0.661 1 1 110 . 1 1 1 A 15 15 ASP CA C 15 54.712 53.875 0.837 1 1 111 . 1 1 1 A 15 15 ASP HA H 15 4.628 5.173 -0.545 1 1 112 . 1 1 1 A 15 15 ASP CB C 15 41.437 42.172 -0.735 1 1 115 . 1 1 1 A 16 16 PHE N N 16 123.405 126.597 -3.192 1 1 116 . 1 1 1 A 16 16 PHE H H 16 8.414 9.036 -0.622 1 1 117 . 1 1 1 A 16 16 PHE CA C 16 56.555 55.622 0.933 1 1 118 . 1 1 1 A 16 16 PHE HA H 16 4.576 5.074 -0.498 1 1 119 . 1 1 1 A 16 16 PHE CB C 16 41.647 41.539 0.108 1 1 132 . 1 1 1 A 17 17 GLU N N 17 127.173 126.138 1.035 1 1 133 . 1 1 1 A 17 17 GLU H H 17 7.775 8.456 -0.681 1 1 134 . 1 1 1 A 17 17 GLU CA C 17 54.469 55.327 -0.858 1 1 135 . 1 1 1 A 17 17 GLU HA H 17 4.025 4.372 -0.347 1 1 136 . 1 1 1 A 17 17 GLU CB C 17 30.119 29.826 0.293 1 1 142 . 1 1 1 A 17 17 GLU C C 17 174.327 175.806 -1.479 1 1 143 . 1 1 1 A 18 18 ARG N N 18 123.112 125.720 -2.608 1 1 144 . 1 1 1 A 18 18 ARG H H 18 7.721 8.297 -0.576 1 1 145 . 1 1 1 A 18 18 ARG CA C 18 55.738 56.310 -0.572 1 1 146 . 1 1 1 A 18 18 ARG HA H 18 3.665 3.876 -0.211 1 1 147 . 1 1 1 A 18 18 ARG CB C 18 30.846 30.652 0.194 1 1 156 . 1 1 1 A 18 18 ARG C C 18 175.954 176.570 -0.616 1 1 157 . 1 1 1 A 19 19 HIS N N 19 121.992 121.190 0.802 1 1 158 . 1 1 1 A 19 19 HIS H H 19 9.200 8.596 0.604 1 1 159 . 1 1 1 A 19 19 HIS CA C 19 56.774 58.444 -1.670 1 1 160 . 1 1 1 A 19 19 HIS HA H 19 4.612 4.347 0.265 1 1 161 . 1 1 1 A 19 19 HIS CB C 19 30.061 30.784 -0.723 1 1 168 . 1 1 1 A 19 19 HIS C C 19 174.151 174.150 0.001 1 1 169 . 1 1 1 A 20 20 ASP N N 20 119.946 117.932 2.014 1 1 170 . 1 1 1 A 20 20 ASP H H 20 8.160 8.057 0.103 1 1 171 . 1 1 1 A 20 20 ASP CA C 20 53.371 52.947 0.424 1 1 172 . 1 1 1 A 20 20 ASP HA H 20 4.785 4.895 -0.110 1 1 173 . 1 1 1 A 20 20 ASP CB C 20 43.492 42.560 0.932 1 1 176 . 1 1 1 A 20 20 ASP C C 20 176.571 176.887 -0.316 1 1 177 . 1 1 1 A 21 21 ASP N N 21 119.329 124.978 -5.649 1 1 178 . 1 1 1 A 21 21 ASP H H 21 8.686 8.963 -0.277 1 1 179 . 1 1 1 A 21 21 ASP CA C 21 56.641 56.676 -0.035 1 1 180 . 1 1 1 A 21 21 ASP HA H 21 4.439 4.311 0.128 1 1 181 . 1 1 1 A 21 21 ASP CB C 21 40.977 39.945 1.032 1 1 184 . 1 1 1 A 21 21 ASP C C 21 176.619 178.053 -1.434 1 1 185 . 1 1 1 A 22 22 ASP N N 22 116.501 117.548 -1.047 1 1 186 . 1 1 1 A 22 22 ASP H H 22 8.702 8.046 0.656 1 1 187 . 1 1 1 A 22 22 ASP CA C 22 54.535 56.414 -1.879 1 1 188 . 1 1 1 A 22 22 ASP HA H 22 4.769 4.687 0.082 1 1 189 . 1 1 1 A 22 22 ASP CB C 22 40.833 41.044 -0.211 1 1 192 . 1 1 1 A 22 22 ASP C C 22 176.139 177.460 -1.321 1 1 193 . 1 1 1 A 23 23 GLU N N 23 119.696 117.469 2.227 1 1 194 . 1 1 1 A 23 23 GLU H H 23 7.540 8.368 -0.828 1 1 195 . 1 1 1 A 23 23 GLU CA C 23 55.398 56.936 -1.538 1 1 196 . 1 1 1 A 23 23 GLU HA H 23 4.519 4.254 0.265 1 1 197 . 1 1 1 A 23 23 GLU CB C 23 32.584 30.036 2.548 1 1 203 . 1 1 1 A 23 23 GLU C C 23 175.760 175.670 0.090 1 1 204 . 1 1 1 A 24 24 LEU N N 24 125.257 126.028 -0.771 1 1 205 . 1 1 1 A 24 24 LEU H H 24 8.766 9.133 -0.367 1 1 206 . 1 1 1 A 24 24 LEU CA C 24 53.525 53.899 -0.374 1 1 207 . 1 1 1 A 24 24 LEU HA H 24 4.410 5.043 -0.633 1 1 208 . 1 1 1 A 24 24 LEU CB C 24 44.685 44.266 0.419 1 1 221 . 1 1 1 A 24 24 LEU C C 24 173.987 176.497 -2.510 1 1 222 . 1 1 1 A 25 25 GLY N N 25 107.345 114.013 -6.668 1 1 223 . 1 1 1 A 25 25 GLY H H 25 7.584 8.901 -1.317 1 1 224 . 1 1 1 A 25 25 GLY CA C 25 44.096 44.239 -0.143 1 1 225 . 1 1 1 A 25 25 GLY HA2 H 25 3.361 3.715 -0.354 1 1 226 . 1 1 1 A 25 25 GLY HA3 H 25 4.260 3.884 0.376 1 1 227 . 1 1 1 A 25 25 GLY C C 25 173.720 172.821 0.899 1 1 228 . 1 1 1 A 26 26 PHE N N 26 114.043 115.600 -1.557 1 1 229 . 1 1 1 A 26 26 PHE H H 26 8.330 8.243 0.087 1 1 230 . 1 1 1 A 26 26 PHE CA C 26 56.440 56.609 -0.169 1 1 231 . 1 1 1 A 26 26 PHE HA H 26 4.749 5.077 -0.328 1 1 232 . 1 1 1 A 26 26 PHE CB C 26 40.494 40.292 0.202 1 1 245 . 1 1 1 A 26 26 PHE C C 26 174.820 172.221 2.599 1 1 246 . 1 1 1 A 27 27 ARG N N 27 120.928 120.612 0.316 1 1 247 . 1 1 1 A 27 27 ARG H H 27 9.597 8.578 1.019 1 1 248 . 1 1 1 A 27 27 ARG CA C 27 53.054 55.241 -2.187 1 1 249 . 1 1 1 A 27 27 ARG HA H 27 4.974 4.709 0.265 1 1 250 . 1 1 1 A 27 27 ARG CB C 27 32.687 31.711 0.976 1 1 259 . 1 1 1 A 27 27 ARG C C 27 175.511 176.113 -0.602 1 1 260 . 1 1 1 A 28 28 LYS N N 28 120.682 122.441 -1.759 1 1 261 . 1 1 1 A 28 28 LYS H H 28 8.922 8.678 0.244 1 1 262 . 1 1 1 A 28 28 LYS CA C 28 59.064 58.238 0.826 1 1 263 . 1 1 1 A 28 28 LYS HA H 28 3.220 4.000 -0.780 1 1 264 . 1 1 1 A 28 28 LYS CB C 28 32.826 32.200 0.626 1 1 276 . 1 1 1 A 28 28 LYS C C 28 177.019 177.347 -0.328 1 1 277 . 1 1 1 A 29 29 ASN N N 29 117.470 118.667 -1.197 1 1 278 . 1 1 1 A 29 29 ASN H H 29 8.728 9.059 -0.331 1 1 279 . 1 1 1 A 29 29 ASN CA C 29 56.477 54.413 2.064 1 1 280 . 1 1 1 A 29 29 ASN HA H 29 4.148 4.324 -0.176 1 1 281 . 1 1 1 A 29 29 ASN CB C 29 37.170 36.737 0.433 1 1 287 . 1 1 1 A 29 29 ASN C C 29 174.716 173.941 0.775 1 1 288 . 1 1 1 A 30 30 ASP N N 30 122.549 117.157 5.392 1 1 289 . 1 1 1 A 30 30 ASP H H 30 8.527 7.528 0.999 1 1 290 . 1 1 1 A 30 30 ASP CA C 30 56.167 52.794 3.373 1 1 291 . 1 1 1 A 30 30 ASP HA H 30 4.596 5.100 -0.504 1 1 292 . 1 1 1 A 30 30 ASP CB C 30 41.797 42.518 -0.721 1 1 295 . 1 1 1 A 30 30 ASP C C 30 175.177 175.504 -0.327 1 1 296 . 1 1 1 A 31 31 ILE N N 31 119.187 122.618 -3.431 1 1 297 . 1 1 1 A 31 31 ILE H H 31 8.267 8.672 -0.405 1 1 298 . 1 1 1 A 31 31 ILE CA C 31 59.191 59.905 -0.714 1 1 299 . 1 1 1 A 31 31 ILE HA H 31 4.819 4.714 0.105 1 1 300 . 1 1 1 A 31 31 ILE CB C 31 36.702 38.890 -2.188 1 1 313 . 1 1 1 A 31 31 ILE C C 31 175.437 175.361 0.076 1 1 314 . 1 1 1 A 32 32 ILE N N 32 129.566 127.660 1.906 1 1 315 . 1 1 1 A 32 32 ILE H H 32 9.247 8.876 0.371 1 1 316 . 1 1 1 A 32 32 ILE CA C 32 60.211 59.581 0.630 1 1 317 . 1 1 1 A 32 32 ILE HA H 32 4.140 4.747 -0.607 1 1 318 . 1 1 1 A 32 32 ILE CB C 32 41.978 41.369 0.609 1 1 331 . 1 1 1 A 32 32 ILE C C 32 176.197 175.033 1.164 1 1 332 . 1 1 1 A 33 33 THR N N 33 123.061 122.507 0.554 1 1 333 . 1 1 1 A 33 33 THR H H 33 8.741 8.486 0.255 1 1 334 . 1 1 1 A 33 33 THR CA C 33 63.117 62.871 0.246 1 1 335 . 1 1 1 A 33 33 THR HA H 33 4.583 4.697 -0.114 1 1 336 . 1 1 1 A 33 33 THR CB C 33 69.626 69.185 0.441 1 1 342 . 1 1 1 A 33 33 THR C C 33 174.011 174.254 -0.243 1 1 343 . 1 1 1 A 34 34 ILE N N 34 128.281 127.760 0.521 1 1 344 . 1 1 1 A 34 34 ILE H H 34 9.110 9.052 0.058 1 1 345 . 1 1 1 A 34 34 ILE CA C 34 61.566 61.217 0.349 1 1 346 . 1 1 1 A 34 34 ILE HA H 34 4.117 4.121 -0.004 1 1 347 . 1 1 1 A 34 34 ILE CB C 34 36.785 36.501 0.284 1 1 360 . 1 1 1 A 34 34 ILE C C 34 175.420 175.491 -0.071 1 1 361 . 1 1 1 A 35 35 ILE N N 35 128.859 129.928 -1.069 1 1 362 . 1 1 1 A 35 35 ILE H H 35 9.359 9.297 0.062 1 1 363 . 1 1 1 A 35 35 ILE CA C 35 60.949 62.981 -2.032 1 1 364 . 1 1 1 A 35 35 ILE HA H 35 4.224 4.089 0.135 1 1 365 . 1 1 1 A 35 35 ILE CB C 35 38.186 38.108 0.078 1 1 378 . 1 1 1 A 35 35 ILE C C 35 176.253 176.184 0.069 1 1 379 . 1 1 1 A 36 36 SER N N 36 111.665 114.234 -2.569 1 1 380 . 1 1 1 A 36 36 SER H H 36 7.882 7.998 -0.116 1 1 381 . 1 1 1 A 36 36 SER CA C 36 57.605 56.721 0.884 1 1 382 . 1 1 1 A 36 36 SER HA H 36 4.525 4.807 -0.282 1 1 383 . 1 1 1 A 36 36 SER CB C 36 64.435 65.102 -0.667 1 1 386 . 1 1 1 A 36 36 SER C C 36 172.845 172.911 -0.066 1 1 387 . 1 1 1 A 37 37 GLN N N 37 116.906 127.379 -10.473 1 1 388 . 1 1 1 A 37 37 GLN H H 37 8.055 8.927 -0.872 1 1 389 . 1 1 1 A 37 37 GLN CA C 37 54.718 54.530 0.188 1 1 390 . 1 1 1 A 37 37 GLN HA H 37 4.420 4.390 0.030 1 1 391 . 1 1 1 A 37 37 GLN CB C 37 29.381 26.510 2.871 1 1 400 . 1 1 1 A 37 37 GLN C C 37 175.080 175.868 -0.788 1 1 401 . 1 1 1 A 38 38 LYS N N 38 124.909 126.225 -1.316 1 1 402 . 1 1 1 A 38 38 LYS H H 38 8.046 8.261 -0.215 1 1 403 . 1 1 1 A 38 38 LYS CA C 38 58.998 59.678 -0.680 1 1 404 . 1 1 1 A 38 38 LYS HA H 38 4.076 3.919 0.157 1 1 405 . 1 1 1 A 38 38 LYS CB C 38 33.116 32.504 0.612 1 1 417 . 1 1 1 A 38 38 LYS C C 38 176.508 175.429 1.079 1 1 418 . 1 1 1 A 39 39 ASP N N 39 117.133 115.891 1.242 1 1 419 . 1 1 1 A 39 39 ASP H H 39 8.296 8.394 -0.098 1 1 420 . 1 1 1 A 39 39 ASP CA C 39 53.294 52.924 0.370 1 1 421 . 1 1 1 A 39 39 ASP HA H 39 4.558 5.059 -0.501 1 1 422 . 1 1 1 A 39 39 ASP CB C 39 41.847 44.398 -2.551 1 1 425 . 1 1 1 A 39 39 ASP C C 39 175.201 176.354 -1.153 1 1 426 . 1 1 1 A 40 40 GLU N N 40 116.223 122.521 -6.298 1 1 427 . 1 1 1 A 40 40 GLU H H 40 8.564 8.888 -0.324 1 1 428 . 1 1 1 A 40 40 GLU CA C 40 58.748 57.892 0.856 1 1 429 . 1 1 1 A 40 40 GLU HA H 40 4.088 4.498 -0.410 1 1 430 . 1 1 1 A 40 40 GLU CB C 40 29.696 29.832 -0.136 1 1 436 . 1 1 1 A 40 40 GLU C C 40 176.367 177.574 -1.207 1 1 437 . 1 1 1 A 41 41 HIS N N 41 114.612 116.494 -1.882 1 1 438 . 1 1 1 A 41 41 HIS H H 41 8.383 8.131 0.252 1 1 439 . 1 1 1 A 41 41 HIS CA C 41 56.873 57.013 -0.140 1 1 440 . 1 1 1 A 41 41 HIS HA H 41 4.613 4.511 0.102 1 1 441 . 1 1 1 A 41 41 HIS CB C 41 32.910 31.831 1.079 1 1 448 . 1 1 1 A 41 41 HIS C C 41 176.755 175.025 1.730 1 1 449 . 1 1 1 A 42 42 CYS N N 42 122.290 114.706 7.584 1 1 450 . 1 1 1 A 42 42 CYS H H 42 8.337 7.844 0.493 1 1 451 . 1 1 1 A 42 42 CYS CA C 42 58.168 57.270 0.898 1 1 452 . 1 1 1 A 42 42 CYS HA H 42 4.885 4.868 0.017 1 1 453 . 1 1 1 A 42 42 CYS CB C 42 29.227 29.794 -0.567 1 1 456 . 1 1 1 A 42 42 CYS C C 42 172.892 173.495 -0.603 1 1 457 . 1 1 1 A 43 43 TRP N N 43 127.114 124.228 2.886 1 1 458 . 1 1 1 A 43 43 TRP H H 43 8.333 8.907 -0.574 1 1 459 . 1 1 1 A 43 43 TRP CA C 43 53.262 55.913 -2.651 1 1 460 . 1 1 1 A 43 43 TRP HA H 43 5.307 5.193 0.114 1 1 461 . 1 1 1 A 43 43 TRP CB C 43 33.323 32.645 0.678 1 1 476 . 1 1 1 A 43 43 TRP C C 43 173.064 175.190 -2.126 1 1 477 . 1 1 1 A 44 44 VAL N N 44 117.650 120.820 -3.170 1 1 478 . 1 1 1 A 44 44 VAL H H 44 8.591 8.389 0.202 1 1 479 . 1 1 1 A 44 44 VAL CA C 44 61.801 60.984 0.817 1 1 480 . 1 1 1 A 44 44 VAL HA H 44 4.739 4.895 -0.156 1 1 481 . 1 1 1 A 44 44 VAL CB C 44 32.962 33.446 -0.484 1 1 491 . 1 1 1 A 44 44 VAL C C 44 176.980 175.505 1.475 1 1 492 . 1 1 1 A 45 45 GLY N N 45 115.010 115.191 -0.181 1 1 493 . 1 1 1 A 45 45 GLY H H 45 9.469 8.788 0.681 1 1 494 . 1 1 1 A 45 45 GLY CA C 45 45.159 44.481 0.678 1 1 495 . 1 1 1 A 45 45 GLY HA2 H 45 3.769 4.339 -0.570 1 1 496 . 1 1 1 A 45 45 GLY HA3 H 45 5.478 4.495 0.983 1 1 497 . 1 1 1 A 45 45 GLY C C 45 170.022 172.435 -2.413 1 1 498 . 1 1 1 A 46 46 GLU N N 46 118.202 120.347 -2.145 1 1 499 . 1 1 1 A 46 46 GLU H H 46 9.072 9.130 -0.058 1 1 500 . 1 1 1 A 46 46 GLU CA C 46 54.226 55.412 -1.186 1 1 501 . 1 1 1 A 46 46 GLU HA H 46 5.720 5.583 0.137 1 1 502 . 1 1 1 A 46 46 GLU CB C 46 34.724 33.453 1.271 1 1 508 . 1 1 1 A 46 46 GLU C C 46 174.843 174.676 0.167 1 1 509 . 1 1 1 A 47 47 LEU N N 47 125.182 126.974 -1.792 1 1 510 . 1 1 1 A 47 47 LEU H H 47 8.880 8.802 0.078 1 1 511 . 1 1 1 A 47 47 LEU CA C 47 55.064 54.108 0.956 1 1 512 . 1 1 1 A 47 47 LEU HA H 47 4.711 4.600 0.111 1 1 513 . 1 1 1 A 47 47 LEU CB C 47 45.900 45.085 0.815 1 1 526 . 1 1 1 A 47 47 LEU C C 47 176.130 175.417 0.713 1 1 527 . 1 1 1 A 48 48 ASN N N 48 127.515 125.820 1.695 1 1 528 . 1 1 1 A 48 48 ASN H H 48 9.796 9.393 0.403 1 1 529 . 1 1 1 A 48 48 ASN CA C 48 54.407 54.541 -0.134 1 1 530 . 1 1 1 A 48 48 ASN HA H 48 4.457 4.502 -0.045 1 1 531 . 1 1 1 A 48 48 ASN CB C 48 37.546 37.327 0.219 1 1 537 . 1 1 1 A 48 48 ASN C C 48 174.935 175.628 -0.693 1 1 538 . 1 1 1 A 49 49 GLY N N 49 104.068 103.958 0.110 1 1 539 . 1 1 1 A 49 49 GLY H H 49 8.891 8.430 0.461 1 1 540 . 1 1 1 A 49 49 GLY CA C 49 45.471 46.016 -0.545 1 1 541 . 1 1 1 A 49 49 GLY HA2 H 49 3.621 3.915 -0.294 1 1 542 . 1 1 1 A 49 49 GLY HA3 H 49 4.230 3.919 0.311 1 1 543 . 1 1 1 A 49 49 GLY C C 49 173.671 173.832 -0.161 1 1 544 . 1 1 1 A 50 50 LEU N N 50 122.996 120.969 2.027 1 1 545 . 1 1 1 A 50 50 LEU H H 50 7.818 7.860 -0.042 1 1 546 . 1 1 1 A 50 50 LEU CA C 50 53.971 53.096 0.875 1 1 547 . 1 1 1 A 50 50 LEU HA H 50 4.727 4.975 -0.248 1 1 548 . 1 1 1 A 50 50 LEU CB C 50 43.482 44.828 -1.346 1 1 561 . 1 1 1 A 50 50 LEU C C 50 174.930 175.534 -0.604 1 1 562 . 1 1 1 A 51 51 ARG N N 51 119.072 120.022 -0.950 1 1 563 . 1 1 1 A 51 51 ARG H H 51 8.410 8.662 -0.252 1 1 564 . 1 1 1 A 51 51 ARG CA C 51 54.020 54.655 -0.635 1 1 565 . 1 1 1 A 51 51 ARG HA H 51 5.843 5.348 0.495 1 1 566 . 1 1 1 A 51 51 ARG CB C 51 34.724 32.747 1.977 1 1 575 . 1 1 1 A 51 51 ARG C C 51 176.707 175.392 1.315 1 1 576 . 1 1 1 A 52 52 GLY N N 52 109.058 110.451 -1.393 1 1 577 . 1 1 1 A 52 52 GLY H H 52 8.661 8.800 -0.139 1 1 578 . 1 1 1 A 52 52 GLY CA C 52 45.683 45.341 0.342 1 1 579 . 1 1 1 A 52 52 GLY HA2 H 52 3.975 4.497 -0.522 1 1 580 . 1 1 1 A 52 52 GLY HA3 H 52 4.248 4.508 -0.260 1 1 581 . 1 1 1 A 52 52 GLY C C 52 171.261 172.776 -1.515 1 1 582 . 1 1 1 A 53 53 TRP N N 53 119.558 118.152 1.406 1 1 583 . 1 1 1 A 53 53 TRP H H 53 8.825 8.759 0.066 1 1 584 . 1 1 1 A 53 53 TRP CA C 53 55.402 56.343 -0.941 1 1 585 . 1 1 1 A 53 53 TRP HA H 53 6.222 5.478 0.744 1 1 586 . 1 1 1 A 53 53 TRP CB C 53 31.856 31.524 0.332 1 1 601 . 1 1 1 A 53 53 TRP C C 53 176.100 175.875 0.225 1 1 602 . 1 1 1 A 54 54 PHE N N 54 115.426 115.845 -0.419 1 1 603 . 1 1 1 A 54 54 PHE H H 54 8.976 8.595 0.381 1 1 604 . 1 1 1 A 54 54 PHE CA C 54 55.805 55.483 0.322 1 1 605 . 1 1 1 A 54 54 PHE HA H 54 4.833 4.208 0.625 1 1 606 . 1 1 1 A 54 54 PHE CB C 54 39.295 39.430 -0.135 1 1 619 . 1 1 1 A 54 54 PHE C C 54 171.898 171.839 0.059 1 1 620 . 1 1 1 A 55 55 PRO CA C 55 61.963 62.682 -0.719 1 1 621 . 1 1 1 A 55 55 PRO HA H 55 4.654 4.818 -0.164 1 1 622 . 1 1 1 A 55 55 PRO CB C 55 31.179 31.510 -0.331 1 1 631 . 1 1 1 A 55 55 PRO C C 55 177.168 177.816 -0.648 1 1 632 . 1 1 1 A 56 56 ALA N N 56 130.132 128.257 1.875 1 1 633 . 1 1 1 A 56 56 ALA H H 56 7.818 8.195 -0.377 1 1 634 . 1 1 1 A 56 56 ALA CA C 56 55.045 55.059 -0.014 1 1 635 . 1 1 1 A 56 56 ALA HA H 56 3.032 4.061 -1.029 1 1 636 . 1 1 1 A 56 56 ALA CB C 56 16.542 17.111 -0.569 1 1 640 . 1 1 1 A 56 56 ALA C C 56 178.595 179.535 -0.940 1 1 641 . 1 1 1 A 57 57 LYS N N 57 110.974 116.106 -5.132 1 1 642 . 1 1 1 A 57 57 LYS H H 57 8.024 7.960 0.064 1 1 643 . 1 1 1 A 57 57 LYS CA C 57 57.118 58.879 -1.761 1 1 644 . 1 1 1 A 57 57 LYS HA H 57 4.213 4.015 0.198 1 1 645 . 1 1 1 A 57 57 LYS CB C 57 31.641 32.127 -0.486 1 1 657 . 1 1 1 A 57 57 LYS C C 57 177.053 178.466 -1.413 1 1 658 . 1 1 1 A 58 58 PHE N N 58 118.768 118.476 0.292 1 1 659 . 1 1 1 A 58 58 PHE H H 58 7.911 8.186 -0.275 1 1 660 . 1 1 1 A 58 58 PHE CA C 58 56.933 61.093 -4.160 1 1 661 . 1 1 1 A 58 58 PHE HA H 58 4.739 4.264 0.475 1 1 662 . 1 1 1 A 58 58 PHE CB C 58 38.643 38.902 -0.259 1 1 675 . 1 1 1 A 58 58 PHE C C 58 174.837 175.794 -0.957 1 1 676 . 1 1 1 A 59 59 VAL N N 59 109.843 113.081 -3.238 1 1 677 . 1 1 1 A 59 59 VAL H H 59 7.796 7.535 0.261 1 1 678 . 1 1 1 A 59 59 VAL CA C 59 58.332 59.385 -1.053 1 1 679 . 1 1 1 A 59 59 VAL HA H 59 5.333 4.758 0.575 1 1 680 . 1 1 1 A 59 59 VAL CB C 59 35.704 35.007 0.697 1 1 690 . 1 1 1 A 59 59 VAL C C 59 173.452 174.205 -0.753 1 1 691 . 1 1 1 A 60 60 GLU N N 60 119.932 121.031 -1.099 1 1 692 . 1 1 1 A 60 60 GLU H H 60 8.699 9.005 -0.306 1 1 693 . 1 1 1 A 60 60 GLU CA C 60 54.202 54.623 -0.421 1 1 694 . 1 1 1 A 60 60 GLU HA H 60 4.863 5.110 -0.247 1 1 695 . 1 1 1 A 60 60 GLU CB C 60 33.573 33.308 0.265 1 1 701 . 1 1 1 A 60 60 GLU C C 60 176.100 175.602 0.498 1 1 702 . 1 1 1 A 61 61 VAL N N 61 127.661 127.144 0.517 1 1 703 . 1 1 1 A 61 61 VAL H H 61 9.107 8.659 0.448 1 1 704 . 1 1 1 A 61 61 VAL CA C 61 64.612 62.481 2.131 1 1 705 . 1 1 1 A 61 61 VAL HA H 61 3.957 4.484 -0.527 1 1 706 . 1 1 1 A 61 61 VAL CB C 61 31.875 32.374 -0.499 1 1 716 . 1 1 1 A 61 61 VAL C C 61 176.294 175.050 1.244 1 1 717 . 1 1 1 A 62 62 LEU N N 62 128.512 125.255 3.257 1 1 718 . 1 1 1 A 62 62 LEU H H 62 8.777 8.645 0.132 1 1 719 . 1 1 1 A 62 62 LEU CA C 62 54.677 54.093 0.584 1 1 720 . 1 1 1 A 62 62 LEU HA H 62 4.456 5.041 -0.585 1 1 721 . 1 1 1 A 62 62 LEU CB C 62 42.548 44.985 -2.437 1 1 734 . 1 1 1 A 62 62 LEU C C 62 176.888 174.794 2.094 1 1 735 . 1 1 1 A 63 63 ASP N N 63 122.605 126.642 -4.037 1 1 736 . 1 1 1 A 63 63 ASP H H 63 8.588 9.052 -0.464 1 1 737 . 1 1 1 A 63 63 ASP CA C 63 53.971 52.590 1.381 1 1 738 . 1 1 1 A 63 63 ASP HA H 63 4.643 5.174 -0.531 1 1 739 . 1 1 1 A 63 63 ASP CB C 63 41.629 41.313 0.316 1 1 742 . 1 1 1 A 63 63 ASP C C 63 176.460 175.025 1.435 1 1 743 . 1 1 1 A 64 64 GLU N N 64 122.614 122.370 0.244 1 1 744 . 1 1 1 A 64 64 GLU H H 64 8.634 8.446 0.188 1 1 745 . 1 1 1 A 64 64 GLU CA C 64 57.086 55.374 1.712 1 1 746 . 1 1 1 A 64 64 GLU HA H 64 4.158 5.013 -0.855 1 1 747 . 1 1 1 A 64 64 GLU CB C 64 30.055 31.722 -1.667 1 1 753 . 1 1 1 A 64 64 GLU C C 64 176.801 175.291 1.510 1 1 754 . 1 1 1 A 65 65 ARG N N 65 120.526 120.207 0.319 1 1 755 . 1 1 1 A 65 65 ARG H H 65 8.416 8.608 -0.192 1 1 756 . 1 1 1 A 65 65 ARG CA C 65 56.430 54.652 1.778 1 1 757 . 1 1 1 A 65 65 ARG HA H 65 4.323 5.072 -0.749 1 1 758 . 1 1 1 A 65 65 ARG CB C 65 30.493 32.278 -1.785 1 1 767 . 1 1 1 A 65 65 ARG C C 65 176.896 174.705 2.191 1 1 768 . 1 1 1 A 66 66 SER N N 66 116.214 119.207 -2.993 1 1 769 . 1 1 1 A 66 66 SER H H 66 8.225 8.895 -0.670 1 1 770 . 1 1 1 A 66 66 SER CA C 66 58.732 56.065 2.667 1 1 771 . 1 1 1 A 66 66 SER HA H 66 4.799 4.872 -0.073 1 1 772 . 1 1 1 A 66 66 SER CB C 66 63.879 66.123 -2.244 1 1 775 . 1 1 1 A 66 66 SER C C 66 175.225 174.539 0.686 1 1 776 . 1 1 1 A 67 67 LYS CA C 67 56.993 57.185 -0.192 1 1 777 . 1 1 1 A 67 67 LYS HA H 67 4.270 4.069 0.201 1 1 778 . 1 1 1 A 67 67 LYS CB C 67 32.724 30.359 2.365 1 1 790 . 1 1 1 A 68 68 GLU N N 68 120.561 119.419 1.142 1 1 791 . 1 1 1 A 68 68 GLU H H 68 8.417 7.819 0.598 1 1 792 . 1 1 1 A 68 68 GLU CA C 68 57.144 56.076 1.068 1 1 793 . 1 1 1 A 68 68 GLU HA H 68 4.193 4.426 -0.233 1 1 794 . 1 1 1 A 68 68 GLU CB C 68 30.025 29.849 0.176 1 1 800 . 1 1 1 A 68 68 GLU C C 68 176.828 175.461 1.367 1 1 801 . 1 1 1 A 69 69 TYR N N 69 120.399 122.518 -2.119 1 1 802 . 1 1 1 A 69 69 TYR H H 69 8.027 8.777 -0.750 1 1 803 . 1 1 1 A 69 69 TYR CA C 69 58.296 59.372 -1.076 1 1 804 . 1 1 1 A 69 69 TYR HA H 69 4.504 4.709 -0.205 1 1 805 . 1 1 1 A 69 69 TYR CB C 69 38.965 40.015 -1.050 1 1 816 . 1 1 1 A 69 69 TYR C C 69 176.367 177.328 -0.961 1 1 817 . 1 1 1 A 70 70 SER N N 70 117.031 115.785 1.246 1 1 818 . 1 1 1 A 70 70 SER H H 70 8.067 8.594 -0.527 1 1 819 . 1 1 1 A 70 70 SER CA C 70 58.167 62.014 -3.847 1 1 820 . 1 1 1 A 70 70 SER HA H 70 4.441 4.379 0.062 1 1 821 . 1 1 1 A 70 70 SER CB C 70 63.911 62.927 0.984 1 1 824 . 1 1 1 A 70 70 SER C C 70 174.448 174.884 -0.436 1 1 825 . 1 1 1 A 71 71 ILE N N 71 122.402 116.653 5.749 1 1 826 . 1 1 1 A 71 71 ILE H H 71 8.083 7.748 0.335 1 1 827 . 1 1 1 A 71 71 ILE CA C 71 61.411 59.402 2.009 1 1 828 . 1 1 1 A 71 71 ILE HA H 71 4.161 4.864 -0.703 1 1 829 . 1 1 1 A 71 71 ILE CB C 71 38.779 40.483 -1.704 1 1 842 . 1 1 1 A 71 71 ILE C C 71 176.172 175.134 1.038 1 1 843 . 1 1 1 A 72 72 ALA N N 72 127.574 124.619 2.955 1 1 844 . 1 1 1 A 72 72 ALA H H 72 8.306 8.708 -0.402 1 1 845 . 1 1 1 A 72 72 ALA CA C 72 52.631 51.537 1.094 1 1 846 . 1 1 1 A 72 72 ALA HA H 72 4.366 4.820 -0.454 1 1 847 . 1 1 1 A 72 72 ALA CB C 72 19.242 22.983 -3.741 1 1 851 . 1 1 1 A 72 72 ALA C C 72 177.702 175.497 2.205 1 1 852 . 1 1 1 A 73 73 SER N N 73 115.199 115.845 -0.646 1 1 853 . 1 1 1 A 73 73 SER H H 73 8.223 8.638 -0.415 1 1 854 . 1 1 1 A 73 73 SER CA C 73 58.285 57.316 0.969 1 1 855 . 1 1 1 A 73 73 SER HA H 73 4.471 5.154 -0.683 1 1 856 . 1 1 1 A 73 73 SER CB C 73 64.233 65.348 -1.115 1 1 859 . 1 1 1 A 73 73 SER C C 73 174.639 174.216 0.423 1 1 860 . 1 1 1 A 74 74 GLY N N 74 110.616 109.911 0.705 1 1 861 . 1 1 1 A 74 74 GLY H H 74 8.185 8.397 -0.212 1 1 862 . 1 1 1 A 74 74 GLY CA C 74 44.677 45.828 -1.151 1 1 863 . 1 1 1 A 74 74 GLY HA2 H 74 4.171 4.088 0.083 1 1 864 . 1 1 1 A 74 74 GLY HA3 H 74 4.107 4.090 0.017 1 1 865 . 1 1 1 A 74 74 GLY C C 74 171.850 173.218 -1.368 1 1 866 . 1 1 1 A 75 75 PRO CA C 75 63.266 62.358 0.908 1 1 867 . 1 1 1 A 75 75 PRO HA H 75 4.487 4.722 -0.235 1 1 868 . 1 1 1 A 75 75 PRO CB C 75 32.196 29.623 2.573 1 1 877 . 1 1 1 A 76 76 SER N N 76 116.439 115.198 1.241 1 1 878 . 1 1 1 A 76 76 SER H H 76 8.562 8.124 0.438 1 1 879 . 1 1 1 A 76 76 SER CA C 76 58.747 57.129 1.618 1 1 880 . 1 1 1 A 76 76 SER CB C 76 64.105 64.342 -0.237 1 1 1 . 2 1 1 A 6 6 SER CA C 6 58.690 56.122 2.568 1 1 2 . 2 1 1 A 6 6 SER HA H 6 4.411 5.475 -1.064 1 1 3 . 2 1 1 A 7 7 GLY N N 7 110.826 108.311 2.515 1 1 4 . 2 1 1 A 7 7 GLY H H 7 8.436 8.331 0.105 1 1 5 . 2 1 1 A 7 7 GLY CA C 7 45.315 45.908 -0.593 1 1 6 . 2 1 1 A 7 7 GLY HA2 H 7 4.029 4.106 -0.077 1 1 7 . 2 1 1 A 7 7 GLY HA3 H 7 3.918 4.117 -0.199 1 1 8 . 2 1 1 A 7 7 GLY C C 7 173.788 171.693 2.095 1 1 9 . 2 1 1 A 8 8 ARG N N 8 120.458 120.276 0.182 1 1 10 . 2 1 1 A 8 8 ARG H H 8 8.272 8.282 -0.010 1 1 11 . 2 1 1 A 8 8 ARG CA C 8 55.715 54.001 1.714 1 1 12 . 2 1 1 A 8 8 ARG HA H 8 4.500 5.060 -0.560 1 1 13 . 2 1 1 A 8 8 ARG CB C 8 31.541 34.405 -2.864 1 1 22 . 2 1 1 A 8 8 ARG C C 8 175.201 174.785 0.416 1 1 23 . 2 1 1 A 9 9 ARG N N 9 121.537 120.060 1.477 1 1 24 . 2 1 1 A 9 9 ARG H H 9 8.879 8.452 0.427 1 1 25 . 2 1 1 A 9 9 ARG CA C 9 54.737 54.368 0.369 1 1 26 . 2 1 1 A 9 9 ARG HA H 9 5.288 5.217 0.071 1 1 27 . 2 1 1 A 9 9 ARG CB C 9 34.064 34.474 -0.410 1 1 36 . 2 1 1 A 9 9 ARG C C 9 174.910 174.404 0.506 1 1 37 . 2 1 1 A 10 10 ALA N N 10 122.000 123.988 -1.988 1 1 38 . 2 1 1 A 10 10 ALA H H 10 9.200 9.191 0.009 1 1 39 . 2 1 1 A 10 10 ALA CA C 10 50.229 50.073 0.156 1 1 40 . 2 1 1 A 10 10 ALA HA H 10 5.143 5.577 -0.434 1 1 41 . 2 1 1 A 10 10 ALA CB C 10 23.552 23.184 0.368 1 1 45 . 2 1 1 A 10 10 ALA C C 10 173.920 174.669 -0.749 1 1 46 . 2 1 1 A 11 11 LYS N N 11 121.984 121.896 0.088 1 1 47 . 2 1 1 A 11 11 LYS H H 11 8.962 9.094 -0.132 1 1 48 . 2 1 1 A 11 11 LYS CA C 11 53.936 54.620 -0.684 1 1 49 . 2 1 1 A 11 11 LYS HA H 11 5.043 5.002 0.041 1 1 50 . 2 1 1 A 11 11 LYS CB C 11 35.705 35.274 0.431 1 1 62 . 2 1 1 A 11 11 LYS C C 11 176.193 175.904 0.289 1 1 63 . 2 1 1 A 12 12 ALA N N 12 128.384 128.895 -0.511 1 1 64 . 2 1 1 A 12 12 ALA H H 12 8.974 8.849 0.125 1 1 65 . 2 1 1 A 12 12 ALA CA C 12 52.878 52.370 0.508 1 1 66 . 2 1 1 A 12 12 ALA HA H 12 4.271 4.397 -0.126 1 1 67 . 2 1 1 A 12 12 ALA CB C 12 21.024 18.669 2.355 1 1 71 . 2 1 1 A 12 12 ALA C C 12 179.524 178.352 1.172 1 1 72 . 2 1 1 A 13 13 LEU N N 13 126.125 126.249 -0.124 1 1 73 . 2 1 1 A 13 13 LEU H H 13 9.490 8.636 0.854 1 1 74 . 2 1 1 A 13 13 LEU CA C 13 55.697 56.279 -0.582 1 1 75 . 2 1 1 A 13 13 LEU HA H 13 4.258 4.206 0.052 1 1 76 . 2 1 1 A 13 13 LEU CB C 13 43.073 42.915 0.158 1 1 89 . 2 1 1 A 13 13 LEU C C 13 175.705 176.851 -1.146 1 1 90 . 2 1 1 A 14 14 LEU N N 14 116.229 113.908 2.321 1 1 91 . 2 1 1 A 14 14 LEU H H 14 7.638 7.666 -0.028 1 1 92 . 2 1 1 A 14 14 LEU CA C 14 53.715 53.696 0.019 1 1 93 . 2 1 1 A 14 14 LEU HA H 14 4.436 4.692 -0.256 1 1 94 . 2 1 1 A 14 14 LEU CB C 14 45.286 43.531 1.755 1 1 107 . 2 1 1 A 14 14 LEU C C 14 173.987 175.544 -1.557 1 1 108 . 2 1 1 A 15 15 ASP N N 15 116.528 119.595 -3.067 1 1 109 . 2 1 1 A 15 15 ASP H H 15 8.047 8.600 -0.553 1 1 110 . 2 1 1 A 15 15 ASP CA C 15 54.712 53.756 0.956 1 1 111 . 2 1 1 A 15 15 ASP HA H 15 4.628 4.983 -0.355 1 1 112 . 2 1 1 A 15 15 ASP CB C 15 41.437 41.853 -0.416 1 1 115 . 2 1 1 A 16 16 PHE N N 16 123.405 122.906 0.499 1 1 116 . 2 1 1 A 16 16 PHE H H 16 8.414 8.699 -0.285 1 1 117 . 2 1 1 A 16 16 PHE CA C 16 56.555 56.520 0.035 1 1 118 . 2 1 1 A 16 16 PHE HA H 16 4.576 4.959 -0.383 1 1 119 . 2 1 1 A 16 16 PHE CB C 16 41.647 41.761 -0.114 1 1 132 . 2 1 1 A 17 17 GLU N N 17 127.173 125.141 2.032 1 1 133 . 2 1 1 A 17 17 GLU H H 17 7.775 8.405 -0.630 1 1 134 . 2 1 1 A 17 17 GLU CA C 17 54.469 54.763 -0.294 1 1 135 . 2 1 1 A 17 17 GLU HA H 17 4.025 4.686 -0.661 1 1 136 . 2 1 1 A 17 17 GLU CB C 17 30.119 30.936 -0.817 1 1 142 . 2 1 1 A 17 17 GLU C C 17 174.327 175.311 -0.984 1 1 143 . 2 1 1 A 18 18 ARG N N 18 123.112 121.929 1.183 1 1 144 . 2 1 1 A 18 18 ARG H H 18 7.721 8.281 -0.560 1 1 145 . 2 1 1 A 18 18 ARG CA C 18 55.738 56.142 -0.404 1 1 146 . 2 1 1 A 18 18 ARG HA H 18 3.665 3.900 -0.235 1 1 147 . 2 1 1 A 18 18 ARG CB C 18 30.846 30.659 0.187 1 1 156 . 2 1 1 A 18 18 ARG C C 18 175.954 176.643 -0.689 1 1 157 . 2 1 1 A 19 19 HIS N N 19 121.992 121.621 0.371 1 1 158 . 2 1 1 A 19 19 HIS H H 19 9.200 8.585 0.615 1 1 159 . 2 1 1 A 19 19 HIS CA C 19 56.774 59.716 -2.942 1 1 160 . 2 1 1 A 19 19 HIS HA H 19 4.612 4.173 0.439 1 1 161 . 2 1 1 A 19 19 HIS CB C 19 30.061 30.177 -0.116 1 1 168 . 2 1 1 A 19 19 HIS C C 19 174.151 174.013 0.138 1 1 169 . 2 1 1 A 20 20 ASP N N 20 119.946 118.055 1.891 1 1 170 . 2 1 1 A 20 20 ASP H H 20 8.160 7.903 0.257 1 1 171 . 2 1 1 A 20 20 ASP CA C 20 53.371 52.928 0.443 1 1 172 . 2 1 1 A 20 20 ASP HA H 20 4.785 4.718 0.067 1 1 173 . 2 1 1 A 20 20 ASP CB C 20 43.492 43.197 0.295 1 1 176 . 2 1 1 A 20 20 ASP C C 20 176.571 175.859 0.712 1 1 177 . 2 1 1 A 21 21 ASP N N 21 119.329 124.709 -5.380 1 1 178 . 2 1 1 A 21 21 ASP H H 21 8.686 8.944 -0.258 1 1 179 . 2 1 1 A 21 21 ASP CA C 21 56.641 57.136 -0.495 1 1 180 . 2 1 1 A 21 21 ASP HA H 21 4.439 4.249 0.190 1 1 181 . 2 1 1 A 21 21 ASP CB C 21 40.977 40.529 0.448 1 1 184 . 2 1 1 A 21 21 ASP C C 21 176.619 178.103 -1.484 1 1 185 . 2 1 1 A 22 22 ASP N N 22 116.501 117.948 -1.447 1 1 186 . 2 1 1 A 22 22 ASP H H 22 8.702 8.050 0.652 1 1 187 . 2 1 1 A 22 22 ASP CA C 22 54.535 57.028 -2.493 1 1 188 . 2 1 1 A 22 22 ASP HA H 22 4.769 4.618 0.151 1 1 189 . 2 1 1 A 22 22 ASP CB C 22 40.833 40.869 -0.036 1 1 192 . 2 1 1 A 22 22 ASP C C 22 176.139 177.352 -1.213 1 1 193 . 2 1 1 A 23 23 GLU N N 23 119.696 118.763 0.933 1 1 194 . 2 1 1 A 23 23 GLU H H 23 7.540 7.975 -0.435 1 1 195 . 2 1 1 A 23 23 GLU CA C 23 55.398 57.450 -2.052 1 1 196 . 2 1 1 A 23 23 GLU HA H 23 4.519 3.837 0.682 1 1 197 . 2 1 1 A 23 23 GLU CB C 23 32.584 29.995 2.589 1 1 203 . 2 1 1 A 23 23 GLU C C 23 175.760 175.888 -0.128 1 1 204 . 2 1 1 A 24 24 LEU N N 24 125.257 126.025 -0.768 1 1 205 . 2 1 1 A 24 24 LEU H H 24 8.766 8.738 0.028 1 1 206 . 2 1 1 A 24 24 LEU CA C 24 53.525 53.937 -0.412 1 1 207 . 2 1 1 A 24 24 LEU HA H 24 4.410 4.967 -0.557 1 1 208 . 2 1 1 A 24 24 LEU CB C 24 44.685 43.876 0.809 1 1 221 . 2 1 1 A 24 24 LEU C C 24 173.987 175.379 -1.392 1 1 222 . 2 1 1 A 25 25 GLY N N 25 107.345 114.181 -6.836 1 1 223 . 2 1 1 A 25 25 GLY H H 25 7.584 9.093 -1.509 1 1 224 . 2 1 1 A 25 25 GLY CA C 25 44.096 44.367 -0.271 1 1 225 . 2 1 1 A 25 25 GLY HA2 H 25 3.361 4.042 -0.681 1 1 226 . 2 1 1 A 25 25 GLY HA3 H 25 4.260 4.075 0.185 1 1 227 . 2 1 1 A 25 25 GLY C C 25 173.720 172.538 1.182 1 1 228 . 2 1 1 A 26 26 PHE N N 26 114.043 116.864 -2.821 1 1 229 . 2 1 1 A 26 26 PHE H H 26 8.330 7.968 0.362 1 1 230 . 2 1 1 A 26 26 PHE CA C 26 56.440 56.125 0.315 1 1 231 . 2 1 1 A 26 26 PHE HA H 26 4.749 5.287 -0.538 1 1 232 . 2 1 1 A 26 26 PHE CB C 26 40.494 41.540 -1.046 1 1 245 . 2 1 1 A 26 26 PHE C C 26 174.820 172.436 2.384 1 1 246 . 2 1 1 A 27 27 ARG N N 27 120.928 119.410 1.518 1 1 247 . 2 1 1 A 27 27 ARG H H 27 9.597 8.658 0.939 1 1 248 . 2 1 1 A 27 27 ARG CA C 27 53.054 54.019 -0.965 1 1 249 . 2 1 1 A 27 27 ARG HA H 27 4.974 4.917 0.057 1 1 250 . 2 1 1 A 27 27 ARG CB C 27 32.687 33.304 -0.617 1 1 259 . 2 1 1 A 27 27 ARG C C 27 175.511 175.558 -0.047 1 1 260 . 2 1 1 A 28 28 LYS N N 28 120.682 122.408 -1.726 1 1 261 . 2 1 1 A 28 28 LYS H H 28 8.922 8.635 0.287 1 1 262 . 2 1 1 A 28 28 LYS CA C 28 59.064 57.944 1.120 1 1 263 . 2 1 1 A 28 28 LYS HA H 28 3.220 4.012 -0.792 1 1 264 . 2 1 1 A 28 28 LYS CB C 28 32.826 32.377 0.449 1 1 276 . 2 1 1 A 28 28 LYS C C 28 177.019 177.332 -0.313 1 1 277 . 2 1 1 A 29 29 ASN N N 29 117.470 118.819 -1.349 1 1 278 . 2 1 1 A 29 29 ASN H H 29 8.728 9.370 -0.642 1 1 279 . 2 1 1 A 29 29 ASN CA C 29 56.477 54.358 2.119 1 1 280 . 2 1 1 A 29 29 ASN HA H 29 4.148 4.310 -0.162 1 1 281 . 2 1 1 A 29 29 ASN CB C 29 37.170 37.275 -0.105 1 1 287 . 2 1 1 A 29 29 ASN C C 29 174.716 173.637 1.079 1 1 288 . 2 1 1 A 30 30 ASP N N 30 122.549 116.551 5.998 1 1 289 . 2 1 1 A 30 30 ASP H H 30 8.527 7.749 0.778 1 1 290 . 2 1 1 A 30 30 ASP CA C 30 56.167 52.820 3.347 1 1 291 . 2 1 1 A 30 30 ASP HA H 30 4.596 5.158 -0.562 1 1 292 . 2 1 1 A 30 30 ASP CB C 30 41.797 43.437 -1.640 1 1 295 . 2 1 1 A 30 30 ASP C C 30 175.177 175.261 -0.084 1 1 296 . 2 1 1 A 31 31 ILE N N 31 119.187 123.104 -3.917 1 1 297 . 2 1 1 A 31 31 ILE H H 31 8.267 8.705 -0.438 1 1 298 . 2 1 1 A 31 31 ILE CA C 31 59.191 60.250 -1.059 1 1 299 . 2 1 1 A 31 31 ILE HA H 31 4.819 4.608 0.211 1 1 300 . 2 1 1 A 31 31 ILE CB C 31 36.702 38.204 -1.502 1 1 313 . 2 1 1 A 31 31 ILE C C 31 175.437 175.339 0.098 1 1 314 . 2 1 1 A 32 32 ILE N N 32 129.566 128.793 0.773 1 1 315 . 2 1 1 A 32 32 ILE H H 32 9.247 9.213 0.034 1 1 316 . 2 1 1 A 32 32 ILE CA C 32 60.211 59.396 0.815 1 1 317 . 2 1 1 A 32 32 ILE HA H 32 4.140 4.835 -0.695 1 1 318 . 2 1 1 A 32 32 ILE CB C 32 41.978 40.280 1.698 1 1 331 . 2 1 1 A 32 32 ILE C C 32 176.197 175.112 1.085 1 1 332 . 2 1 1 A 33 33 THR N N 33 123.061 122.166 0.895 1 1 333 . 2 1 1 A 33 33 THR H H 33 8.741 8.299 0.442 1 1 334 . 2 1 1 A 33 33 THR CA C 33 63.117 63.072 0.045 1 1 335 . 2 1 1 A 33 33 THR HA H 33 4.583 4.435 0.148 1 1 336 . 2 1 1 A 33 33 THR CB C 33 69.626 69.205 0.421 1 1 342 . 2 1 1 A 33 33 THR C C 33 174.011 174.035 -0.024 1 1 343 . 2 1 1 A 34 34 ILE N N 34 128.281 126.462 1.819 1 1 344 . 2 1 1 A 34 34 ILE H H 34 9.110 9.101 0.009 1 1 345 . 2 1 1 A 34 34 ILE CA C 34 61.566 60.642 0.924 1 1 346 . 2 1 1 A 34 34 ILE HA H 34 4.117 4.401 -0.284 1 1 347 . 2 1 1 A 34 34 ILE CB C 34 36.785 37.439 -0.654 1 1 360 . 2 1 1 A 34 34 ILE C C 34 175.420 175.522 -0.102 1 1 361 . 2 1 1 A 35 35 ILE N N 35 128.859 129.808 -0.949 1 1 362 . 2 1 1 A 35 35 ILE H H 35 9.359 9.268 0.091 1 1 363 . 2 1 1 A 35 35 ILE CA C 35 60.949 62.936 -1.987 1 1 364 . 2 1 1 A 35 35 ILE HA H 35 4.224 4.072 0.152 1 1 365 . 2 1 1 A 35 35 ILE CB C 35 38.186 38.318 -0.132 1 1 378 . 2 1 1 A 35 35 ILE C C 35 176.253 175.975 0.278 1 1 379 . 2 1 1 A 36 36 SER N N 36 111.665 113.131 -1.466 1 1 380 . 2 1 1 A 36 36 SER H H 36 7.882 7.873 0.009 1 1 381 . 2 1 1 A 36 36 SER CA C 36 57.605 56.235 1.370 1 1 382 . 2 1 1 A 36 36 SER HA H 36 4.525 4.739 -0.214 1 1 383 . 2 1 1 A 36 36 SER CB C 36 64.435 66.010 -1.575 1 1 386 . 2 1 1 A 36 36 SER C C 36 172.845 172.244 0.601 1 1 387 . 2 1 1 A 37 37 GLN N N 37 116.906 120.758 -3.852 1 1 388 . 2 1 1 A 37 37 GLN H H 37 8.055 8.487 -0.432 1 1 389 . 2 1 1 A 37 37 GLN CA C 37 54.718 54.352 0.366 1 1 390 . 2 1 1 A 37 37 GLN HA H 37 4.420 4.940 -0.520 1 1 391 . 2 1 1 A 37 37 GLN CB C 37 29.381 29.396 -0.015 1 1 400 . 2 1 1 A 37 37 GLN C C 37 175.080 175.966 -0.886 1 1 401 . 2 1 1 A 38 38 LYS N N 38 124.909 125.217 -0.308 1 1 402 . 2 1 1 A 38 38 LYS H H 38 8.046 8.552 -0.506 1 1 403 . 2 1 1 A 38 38 LYS CA C 38 58.998 59.095 -0.097 1 1 404 . 2 1 1 A 38 38 LYS HA H 38 4.076 4.003 0.073 1 1 405 . 2 1 1 A 38 38 LYS CB C 38 33.116 32.518 0.598 1 1 417 . 2 1 1 A 38 38 LYS C C 38 176.508 176.573 -0.065 1 1 418 . 2 1 1 A 39 39 ASP N N 39 117.133 116.458 0.675 1 1 419 . 2 1 1 A 39 39 ASP H H 39 8.296 8.051 0.245 1 1 420 . 2 1 1 A 39 39 ASP CA C 39 53.294 52.925 0.369 1 1 421 . 2 1 1 A 39 39 ASP HA H 39 4.558 5.006 -0.448 1 1 422 . 2 1 1 A 39 39 ASP CB C 39 41.847 44.837 -2.990 1 1 425 . 2 1 1 A 39 39 ASP C C 39 175.201 175.911 -0.710 1 1 426 . 2 1 1 A 40 40 GLU N N 40 116.223 122.717 -6.494 1 1 427 . 2 1 1 A 40 40 GLU H H 40 8.564 8.979 -0.415 1 1 428 . 2 1 1 A 40 40 GLU CA C 40 58.748 59.614 -0.866 1 1 429 . 2 1 1 A 40 40 GLU HA H 40 4.088 4.254 -0.166 1 1 430 . 2 1 1 A 40 40 GLU CB C 40 29.696 29.126 0.570 1 1 436 . 2 1 1 A 40 40 GLU C C 40 176.367 178.299 -1.932 1 1 437 . 2 1 1 A 41 41 HIS N N 41 114.612 114.881 -0.269 1 1 438 . 2 1 1 A 41 41 HIS H H 41 8.383 7.484 0.899 1 1 439 . 2 1 1 A 41 41 HIS CA C 41 56.873 57.842 -0.969 1 1 440 . 2 1 1 A 41 41 HIS HA H 41 4.613 4.274 0.339 1 1 441 . 2 1 1 A 41 41 HIS CB C 41 32.910 31.191 1.719 1 1 448 . 2 1 1 A 41 41 HIS C C 41 176.755 174.866 1.889 1 1 449 . 2 1 1 A 42 42 CYS N N 42 122.290 116.446 5.844 1 1 450 . 2 1 1 A 42 42 CYS H H 42 8.337 7.607 0.730 1 1 451 . 2 1 1 A 42 42 CYS CA C 42 58.168 57.183 0.985 1 1 452 . 2 1 1 A 42 42 CYS HA H 42 4.885 5.073 -0.188 1 1 453 . 2 1 1 A 42 42 CYS CB C 42 29.227 29.669 -0.442 1 1 456 . 2 1 1 A 42 42 CYS C C 42 172.892 173.678 -0.786 1 1 457 . 2 1 1 A 43 43 TRP N N 43 127.114 124.703 2.411 1 1 458 . 2 1 1 A 43 43 TRP H H 43 8.333 9.022 -0.689 1 1 459 . 2 1 1 A 43 43 TRP CA C 43 53.262 55.657 -2.395 1 1 460 . 2 1 1 A 43 43 TRP HA H 43 5.307 5.216 0.091 1 1 461 . 2 1 1 A 43 43 TRP CB C 43 33.323 33.029 0.294 1 1 476 . 2 1 1 A 43 43 TRP C C 43 173.064 175.255 -2.191 1 1 477 . 2 1 1 A 44 44 VAL N N 44 117.650 120.180 -2.530 1 1 478 . 2 1 1 A 44 44 VAL H H 44 8.591 8.820 -0.229 1 1 479 . 2 1 1 A 44 44 VAL CA C 44 61.801 60.975 0.826 1 1 480 . 2 1 1 A 44 44 VAL HA H 44 4.739 4.791 -0.052 1 1 481 . 2 1 1 A 44 44 VAL CB C 44 32.962 34.242 -1.280 1 1 491 . 2 1 1 A 44 44 VAL C C 44 176.980 175.283 1.697 1 1 492 . 2 1 1 A 45 45 GLY N N 45 115.010 115.020 -0.010 1 1 493 . 2 1 1 A 45 45 GLY H H 45 9.469 8.709 0.760 1 1 494 . 2 1 1 A 45 45 GLY CA C 45 45.159 44.635 0.524 1 1 495 . 2 1 1 A 45 45 GLY HA2 H 45 3.769 4.380 -0.611 1 1 496 . 2 1 1 A 45 45 GLY HA3 H 45 5.478 4.572 0.906 1 1 497 . 2 1 1 A 45 45 GLY C C 45 170.022 172.615 -2.593 1 1 498 . 2 1 1 A 46 46 GLU N N 46 118.202 120.443 -2.241 1 1 499 . 2 1 1 A 46 46 GLU H H 46 9.072 8.970 0.102 1 1 500 . 2 1 1 A 46 46 GLU CA C 46 54.226 55.395 -1.169 1 1 501 . 2 1 1 A 46 46 GLU HA H 46 5.720 5.617 0.103 1 1 502 . 2 1 1 A 46 46 GLU CB C 46 34.724 32.938 1.786 1 1 508 . 2 1 1 A 46 46 GLU C C 46 174.843 174.632 0.211 1 1 509 . 2 1 1 A 47 47 LEU N N 47 125.182 126.752 -1.570 1 1 510 . 2 1 1 A 47 47 LEU H H 47 8.880 8.822 0.058 1 1 511 . 2 1 1 A 47 47 LEU CA C 47 55.064 54.006 1.058 1 1 512 . 2 1 1 A 47 47 LEU HA H 47 4.711 4.605 0.106 1 1 513 . 2 1 1 A 47 47 LEU CB C 47 45.900 45.199 0.701 1 1 526 . 2 1 1 A 47 47 LEU C C 47 176.130 175.319 0.811 1 1 527 . 2 1 1 A 48 48 ASN N N 48 127.515 124.880 2.635 1 1 528 . 2 1 1 A 48 48 ASN H H 48 9.796 9.349 0.447 1 1 529 . 2 1 1 A 48 48 ASN CA C 48 54.407 54.503 -0.096 1 1 530 . 2 1 1 A 48 48 ASN HA H 48 4.457 4.480 -0.023 1 1 531 . 2 1 1 A 48 48 ASN CB C 48 37.546 37.275 0.271 1 1 537 . 2 1 1 A 48 48 ASN C C 48 174.935 175.642 -0.707 1 1 538 . 2 1 1 A 49 49 GLY N N 49 104.068 105.043 -0.975 1 1 539 . 2 1 1 A 49 49 GLY H H 49 8.891 8.764 0.127 1 1 540 . 2 1 1 A 49 49 GLY CA C 49 45.471 46.066 -0.595 1 1 541 . 2 1 1 A 49 49 GLY HA2 H 49 3.621 3.942 -0.321 1 1 542 . 2 1 1 A 49 49 GLY HA3 H 49 4.230 3.945 0.285 1 1 543 . 2 1 1 A 49 49 GLY C C 49 173.671 173.826 -0.155 1 1 544 . 2 1 1 A 50 50 LEU N N 50 122.996 120.318 2.678 1 1 545 . 2 1 1 A 50 50 LEU H H 50 7.818 7.846 -0.028 1 1 546 . 2 1 1 A 50 50 LEU CA C 50 53.971 53.298 0.673 1 1 547 . 2 1 1 A 50 50 LEU HA H 50 4.727 4.896 -0.169 1 1 548 . 2 1 1 A 50 50 LEU CB C 50 43.482 45.061 -1.579 1 1 561 . 2 1 1 A 50 50 LEU C C 50 174.930 175.454 -0.524 1 1 562 . 2 1 1 A 51 51 ARG N N 51 119.072 120.810 -1.738 1 1 563 . 2 1 1 A 51 51 ARG H H 51 8.410 8.643 -0.233 1 1 564 . 2 1 1 A 51 51 ARG CA C 51 54.020 54.781 -0.761 1 1 565 . 2 1 1 A 51 51 ARG HA H 51 5.843 5.274 0.569 1 1 566 . 2 1 1 A 51 51 ARG CB C 51 34.724 32.118 2.606 1 1 575 . 2 1 1 A 51 51 ARG C C 51 176.707 175.309 1.398 1 1 576 . 2 1 1 A 52 52 GLY N N 52 109.058 111.052 -1.994 1 1 577 . 2 1 1 A 52 52 GLY H H 52 8.661 8.876 -0.215 1 1 578 . 2 1 1 A 52 52 GLY CA C 52 45.683 45.230 0.453 1 1 579 . 2 1 1 A 52 52 GLY HA2 H 52 3.975 4.476 -0.501 1 1 580 . 2 1 1 A 52 52 GLY HA3 H 52 4.248 4.509 -0.261 1 1 581 . 2 1 1 A 52 52 GLY C C 52 171.261 172.817 -1.556 1 1 582 . 2 1 1 A 53 53 TRP N N 53 119.558 117.448 2.110 1 1 583 . 2 1 1 A 53 53 TRP H H 53 8.825 8.848 -0.023 1 1 584 . 2 1 1 A 53 53 TRP CA C 53 55.402 56.016 -0.614 1 1 585 . 2 1 1 A 53 53 TRP HA H 53 6.222 5.512 0.710 1 1 586 . 2 1 1 A 53 53 TRP CB C 53 31.856 32.029 -0.173 1 1 601 . 2 1 1 A 53 53 TRP C C 53 176.100 175.487 0.613 1 1 602 . 2 1 1 A 54 54 PHE N N 54 115.426 115.982 -0.556 1 1 603 . 2 1 1 A 54 54 PHE H H 54 8.976 8.795 0.181 1 1 604 . 2 1 1 A 54 54 PHE CA C 54 55.805 55.697 0.108 1 1 605 . 2 1 1 A 54 54 PHE HA H 54 4.833 4.566 0.267 1 1 606 . 2 1 1 A 54 54 PHE CB C 54 39.295 39.441 -0.146 1 1 619 . 2 1 1 A 54 54 PHE C C 54 171.898 171.888 0.010 1 1 620 . 2 1 1 A 55 55 PRO CA C 55 61.963 62.785 -0.822 1 1 621 . 2 1 1 A 55 55 PRO HA H 55 4.654 5.106 -0.452 1 1 622 . 2 1 1 A 55 55 PRO CB C 55 31.179 31.879 -0.700 1 1 631 . 2 1 1 A 55 55 PRO C C 55 177.168 177.807 -0.639 1 1 632 . 2 1 1 A 56 56 ALA N N 56 130.132 127.739 2.393 1 1 633 . 2 1 1 A 56 56 ALA H H 56 7.818 8.538 -0.720 1 1 634 . 2 1 1 A 56 56 ALA CA C 56 55.045 54.776 0.269 1 1 635 . 2 1 1 A 56 56 ALA HA H 56 3.032 4.045 -1.013 1 1 636 . 2 1 1 A 56 56 ALA CB C 56 16.542 17.243 -0.701 1 1 640 . 2 1 1 A 56 56 ALA C C 56 178.595 180.071 -1.476 1 1 641 . 2 1 1 A 57 57 LYS N N 57 110.974 116.519 -5.545 1 1 642 . 2 1 1 A 57 57 LYS H H 57 8.024 7.997 0.027 1 1 643 . 2 1 1 A 57 57 LYS CA C 57 57.118 58.572 -1.454 1 1 644 . 2 1 1 A 57 57 LYS HA H 57 4.213 4.081 0.132 1 1 645 . 2 1 1 A 57 57 LYS CB C 57 31.641 31.836 -0.195 1 1 657 . 2 1 1 A 57 57 LYS C C 57 177.053 178.402 -1.349 1 1 658 . 2 1 1 A 58 58 PHE N N 58 118.768 117.550 1.218 1 1 659 . 2 1 1 A 58 58 PHE H H 58 7.911 7.502 0.409 1 1 660 . 2 1 1 A 58 58 PHE CA C 58 56.933 60.747 -3.814 1 1 661 . 2 1 1 A 58 58 PHE HA H 58 4.739 4.391 0.348 1 1 662 . 2 1 1 A 58 58 PHE CB C 58 38.643 39.832 -1.189 1 1 675 . 2 1 1 A 58 58 PHE C C 58 174.837 175.951 -1.114 1 1 676 . 2 1 1 A 59 59 VAL N N 59 109.843 113.865 -4.022 1 1 677 . 2 1 1 A 59 59 VAL H H 59 7.796 7.212 0.584 1 1 678 . 2 1 1 A 59 59 VAL CA C 59 58.332 59.726 -1.394 1 1 679 . 2 1 1 A 59 59 VAL HA H 59 5.333 4.932 0.401 1 1 680 . 2 1 1 A 59 59 VAL CB C 59 35.704 34.851 0.853 1 1 690 . 2 1 1 A 59 59 VAL C C 59 173.452 174.255 -0.803 1 1 691 . 2 1 1 A 60 60 GLU N N 60 119.932 121.289 -1.357 1 1 692 . 2 1 1 A 60 60 GLU H H 60 8.699 9.094 -0.395 1 1 693 . 2 1 1 A 60 60 GLU CA C 60 54.202 54.656 -0.454 1 1 694 . 2 1 1 A 60 60 GLU HA H 60 4.863 5.101 -0.238 1 1 695 . 2 1 1 A 60 60 GLU CB C 60 33.573 33.395 0.178 1 1 701 . 2 1 1 A 60 60 GLU C C 60 176.100 175.827 0.273 1 1 702 . 2 1 1 A 61 61 VAL N N 61 127.661 126.995 0.666 1 1 703 . 2 1 1 A 61 61 VAL H H 61 9.107 8.891 0.216 1 1 704 . 2 1 1 A 61 61 VAL CA C 61 64.612 63.197 1.415 1 1 705 . 2 1 1 A 61 61 VAL HA H 61 3.957 4.289 -0.332 1 1 706 . 2 1 1 A 61 61 VAL CB C 61 31.875 32.295 -0.420 1 1 716 . 2 1 1 A 61 61 VAL C C 61 176.294 175.449 0.845 1 1 717 . 2 1 1 A 62 62 LEU N N 62 128.512 124.292 4.220 1 1 718 . 2 1 1 A 62 62 LEU H H 62 8.777 8.329 0.448 1 1 719 . 2 1 1 A 62 62 LEU CA C 62 54.677 53.900 0.777 1 1 720 . 2 1 1 A 62 62 LEU HA H 62 4.456 4.970 -0.514 1 1 721 . 2 1 1 A 62 62 LEU CB C 62 42.548 44.904 -2.356 1 1 734 . 2 1 1 A 62 62 LEU C C 62 176.888 174.801 2.087 1 1 735 . 2 1 1 A 63 63 ASP N N 63 122.605 125.125 -2.520 1 1 736 . 2 1 1 A 63 63 ASP H H 63 8.588 8.725 -0.137 1 1 737 . 2 1 1 A 63 63 ASP CA C 63 53.971 52.527 1.444 1 1 738 . 2 1 1 A 63 63 ASP HA H 63 4.643 5.328 -0.685 1 1 739 . 2 1 1 A 63 63 ASP CB C 63 41.629 42.071 -0.442 1 1 742 . 2 1 1 A 63 63 ASP C C 63 176.460 175.682 0.778 1 1 743 . 2 1 1 A 64 64 GLU N N 64 122.614 123.503 -0.889 1 1 744 . 2 1 1 A 64 64 GLU H H 64 8.634 8.704 -0.070 1 1 745 . 2 1 1 A 64 64 GLU CA C 64 57.086 57.697 -0.611 1 1 746 . 2 1 1 A 64 64 GLU HA H 64 4.158 4.477 -0.319 1 1 747 . 2 1 1 A 64 64 GLU CB C 64 30.055 30.838 -0.783 1 1 753 . 2 1 1 A 64 64 GLU C C 64 176.801 177.031 -0.230 1 1 754 . 2 1 1 A 65 65 ARG N N 65 120.526 120.672 -0.146 1 1 755 . 2 1 1 A 65 65 ARG H H 65 8.416 7.568 0.848 1 1 756 . 2 1 1 A 65 65 ARG CA C 65 56.430 55.459 0.971 1 1 757 . 2 1 1 A 65 65 ARG HA H 65 4.323 4.534 -0.211 1 1 758 . 2 1 1 A 65 65 ARG CB C 65 30.493 30.188 0.305 1 1 767 . 2 1 1 A 65 65 ARG C C 65 176.896 175.094 1.802 1 1 768 . 2 1 1 A 66 66 SER N N 66 116.214 120.422 -4.208 1 1 769 . 2 1 1 A 66 66 SER H H 66 8.225 8.264 -0.039 1 1 770 . 2 1 1 A 66 66 SER CA C 66 58.732 57.735 0.997 1 1 771 . 2 1 1 A 66 66 SER HA H 66 4.799 4.730 0.069 1 1 772 . 2 1 1 A 66 66 SER CB C 66 63.879 65.111 -1.232 1 1 775 . 2 1 1 A 66 66 SER C C 66 175.225 172.845 2.380 1 1 776 . 2 1 1 A 67 67 LYS CA C 67 56.993 57.435 -0.442 1 1 777 . 2 1 1 A 67 67 LYS HA H 67 4.270 4.311 -0.041 1 1 778 . 2 1 1 A 67 67 LYS CB C 67 32.724 33.113 -0.389 1 1 790 . 2 1 1 A 68 68 GLU N N 68 120.561 126.775 -6.214 1 1 791 . 2 1 1 A 68 68 GLU H H 68 8.417 8.686 -0.269 1 1 792 . 2 1 1 A 68 68 GLU CA C 68 57.144 55.276 1.868 1 1 793 . 2 1 1 A 68 68 GLU HA H 68 4.193 5.098 -0.905 1 1 794 . 2 1 1 A 68 68 GLU CB C 68 30.025 33.796 -3.771 1 1 800 . 2 1 1 A 68 68 GLU C C 68 176.828 174.539 2.289 1 1 801 . 2 1 1 A 69 69 TYR N N 69 120.399 124.673 -4.274 1 1 802 . 2 1 1 A 69 69 TYR H H 69 8.027 9.001 -0.974 1 1 803 . 2 1 1 A 69 69 TYR CA C 69 58.296 56.502 1.794 1 1 804 . 2 1 1 A 69 69 TYR HA H 69 4.504 5.053 -0.549 1 1 805 . 2 1 1 A 69 69 TYR CB C 69 38.965 38.931 0.034 1 1 816 . 2 1 1 A 69 69 TYR C C 69 176.367 176.011 0.356 1 1 817 . 2 1 1 A 70 70 SER N N 70 117.031 117.533 -0.502 1 1 818 . 2 1 1 A 70 70 SER H H 70 8.067 8.794 -0.727 1 1 819 . 2 1 1 A 70 70 SER CA C 70 58.167 61.070 -2.903 1 1 820 . 2 1 1 A 70 70 SER HA H 70 4.441 4.402 0.039 1 1 821 . 2 1 1 A 70 70 SER CB C 70 63.911 63.311 0.600 1 1 824 . 2 1 1 A 70 70 SER C C 70 174.448 176.470 -2.022 1 1 825 . 2 1 1 A 71 71 ILE N N 71 122.402 123.291 -0.889 1 1 826 . 2 1 1 A 71 71 ILE H H 71 8.083 7.912 0.171 1 1 827 . 2 1 1 A 71 71 ILE CA C 71 61.411 65.765 -4.354 1 1 828 . 2 1 1 A 71 71 ILE HA H 71 4.161 3.588 0.573 1 1 829 . 2 1 1 A 71 71 ILE CB C 71 38.779 37.922 0.857 1 1 842 . 2 1 1 A 71 71 ILE C C 71 176.172 177.470 -1.298 1 1 843 . 2 1 1 A 72 72 ALA N N 72 127.574 121.455 6.119 1 1 844 . 2 1 1 A 72 72 ALA H H 72 8.306 7.626 0.680 1 1 845 . 2 1 1 A 72 72 ALA CA C 72 52.631 51.915 0.716 1 1 846 . 2 1 1 A 72 72 ALA HA H 72 4.366 4.423 -0.057 1 1 847 . 2 1 1 A 72 72 ALA CB C 72 19.242 17.575 1.667 1 1 851 . 2 1 1 A 72 72 ALA C C 72 177.702 176.310 1.392 1 1 852 . 2 1 1 A 73 73 SER N N 73 115.199 117.924 -2.725 1 1 853 . 2 1 1 A 73 73 SER H H 73 8.223 8.250 -0.027 1 1 854 . 2 1 1 A 73 73 SER CA C 73 58.285 56.883 1.402 1 1 855 . 2 1 1 A 73 73 SER HA H 73 4.471 5.014 -0.543 1 1 856 . 2 1 1 A 73 73 SER CB C 73 64.233 65.353 -1.120 1 1 859 . 2 1 1 A 73 73 SER C C 73 174.639 173.227 1.412 1 1 860 . 2 1 1 A 74 74 GLY N N 74 110.616 114.675 -4.059 1 1 861 . 2 1 1 A 74 74 GLY H H 74 8.185 9.005 -0.820 1 1 862 . 2 1 1 A 74 74 GLY CA C 74 44.677 46.377 -1.700 1 1 863 . 2 1 1 A 74 74 GLY HA2 H 74 4.171 4.147 0.024 1 1 864 . 2 1 1 A 74 74 GLY HA3 H 74 4.107 4.149 -0.042 1 1 865 . 2 1 1 A 74 74 GLY C C 74 171.850 174.197 -2.347 1 1 866 . 2 1 1 A 75 75 PRO CA C 75 63.266 63.490 -0.224 1 1 867 . 2 1 1 A 75 75 PRO HA H 75 4.487 4.447 0.040 1 1 868 . 2 1 1 A 75 75 PRO CB C 75 32.196 31.993 0.203 1 1 877 . 2 1 1 A 76 76 SER N N 76 116.439 112.550 3.889 1 1 878 . 2 1 1 A 76 76 SER H H 76 8.562 8.161 0.401 1 1 879 . 2 1 1 A 76 76 SER CA C 76 58.747 58.735 0.012 1 1 880 . 2 1 1 A 76 76 SER CB C 76 64.105 61.839 2.266 1 1 1 . 3 1 1 A 6 6 SER CA C 6 58.690 58.395 0.295 1 1 2 . 3 1 1 A 6 6 SER HA H 6 4.411 4.717 -0.306 1 1 3 . 3 1 1 A 7 7 GLY N N 7 110.826 112.704 -1.878 1 1 4 . 3 1 1 A 7 7 GLY H H 7 8.436 8.332 0.104 1 1 5 . 3 1 1 A 7 7 GLY CA C 7 45.315 45.369 -0.054 1 1 6 . 3 1 1 A 7 7 GLY HA2 H 7 4.029 4.132 -0.103 1 1 7 . 3 1 1 A 7 7 GLY HA3 H 7 3.918 4.135 -0.217 1 1 8 . 3 1 1 A 7 7 GLY C C 7 173.788 172.358 1.430 1 1 9 . 3 1 1 A 8 8 ARG N N 8 120.458 124.722 -4.264 1 1 10 . 3 1 1 A 8 8 ARG H H 8 8.272 8.354 -0.082 1 1 11 . 3 1 1 A 8 8 ARG CA C 8 55.715 53.949 1.766 1 1 12 . 3 1 1 A 8 8 ARG HA H 8 4.500 4.988 -0.488 1 1 13 . 3 1 1 A 8 8 ARG CB C 8 31.541 34.065 -2.524 1 1 22 . 3 1 1 A 8 8 ARG C C 8 175.201 174.972 0.229 1 1 23 . 3 1 1 A 9 9 ARG N N 9 121.537 120.401 1.136 1 1 24 . 3 1 1 A 9 9 ARG H H 9 8.879 8.517 0.362 1 1 25 . 3 1 1 A 9 9 ARG CA C 9 54.737 54.296 0.441 1 1 26 . 3 1 1 A 9 9 ARG HA H 9 5.288 5.431 -0.143 1 1 27 . 3 1 1 A 9 9 ARG CB C 9 34.064 33.824 0.240 1 1 36 . 3 1 1 A 9 9 ARG C C 9 174.910 174.430 0.480 1 1 37 . 3 1 1 A 10 10 ALA N N 10 122.000 125.479 -3.479 1 1 38 . 3 1 1 A 10 10 ALA H H 10 9.200 9.337 -0.137 1 1 39 . 3 1 1 A 10 10 ALA CA C 10 50.229 50.023 0.206 1 1 40 . 3 1 1 A 10 10 ALA HA H 10 5.143 5.591 -0.448 1 1 41 . 3 1 1 A 10 10 ALA CB C 10 23.552 22.856 0.696 1 1 45 . 3 1 1 A 10 10 ALA C C 10 173.920 174.799 -0.879 1 1 46 . 3 1 1 A 11 11 LYS N N 11 121.984 121.838 0.146 1 1 47 . 3 1 1 A 11 11 LYS H H 11 8.962 8.931 0.031 1 1 48 . 3 1 1 A 11 11 LYS CA C 11 53.936 54.729 -0.793 1 1 49 . 3 1 1 A 11 11 LYS HA H 11 5.043 4.965 0.078 1 1 50 . 3 1 1 A 11 11 LYS CB C 11 35.705 34.868 0.837 1 1 62 . 3 1 1 A 11 11 LYS C C 11 176.193 176.127 0.066 1 1 63 . 3 1 1 A 12 12 ALA N N 12 128.384 128.894 -0.510 1 1 64 . 3 1 1 A 12 12 ALA H H 12 8.974 9.090 -0.116 1 1 65 . 3 1 1 A 12 12 ALA CA C 12 52.878 52.488 0.390 1 1 66 . 3 1 1 A 12 12 ALA HA H 12 4.271 4.325 -0.054 1 1 67 . 3 1 1 A 12 12 ALA CB C 12 21.024 19.000 2.024 1 1 71 . 3 1 1 A 12 12 ALA C C 12 179.524 178.297 1.227 1 1 72 . 3 1 1 A 13 13 LEU N N 13 126.125 126.113 0.012 1 1 73 . 3 1 1 A 13 13 LEU H H 13 9.490 8.645 0.845 1 1 74 . 3 1 1 A 13 13 LEU CA C 13 55.697 56.516 -0.819 1 1 75 . 3 1 1 A 13 13 LEU HA H 13 4.258 4.199 0.059 1 1 76 . 3 1 1 A 13 13 LEU CB C 13 43.073 43.068 0.005 1 1 89 . 3 1 1 A 13 13 LEU C C 13 175.705 176.862 -1.157 1 1 90 . 3 1 1 A 14 14 LEU N N 14 116.229 113.853 2.376 1 1 91 . 3 1 1 A 14 14 LEU H H 14 7.638 7.740 -0.102 1 1 92 . 3 1 1 A 14 14 LEU CA C 14 53.715 53.424 0.291 1 1 93 . 3 1 1 A 14 14 LEU HA H 14 4.436 4.826 -0.390 1 1 94 . 3 1 1 A 14 14 LEU CB C 14 45.286 44.813 0.473 1 1 107 . 3 1 1 A 14 14 LEU C C 14 173.987 174.655 -0.668 1 1 108 . 3 1 1 A 15 15 ASP N N 15 116.528 120.852 -4.324 1 1 109 . 3 1 1 A 15 15 ASP H H 15 8.047 8.628 -0.581 1 1 110 . 3 1 1 A 15 15 ASP CA C 15 54.712 53.380 1.332 1 1 111 . 3 1 1 A 15 15 ASP HA H 15 4.628 5.145 -0.517 1 1 112 . 3 1 1 A 15 15 ASP CB C 15 41.437 42.294 -0.857 1 1 115 . 3 1 1 A 16 16 PHE N N 16 123.405 126.431 -3.026 1 1 116 . 3 1 1 A 16 16 PHE H H 16 8.414 8.825 -0.411 1 1 117 . 3 1 1 A 16 16 PHE CA C 16 56.555 55.907 0.648 1 1 118 . 3 1 1 A 16 16 PHE HA H 16 4.576 5.047 -0.471 1 1 119 . 3 1 1 A 16 16 PHE CB C 16 41.647 41.792 -0.145 1 1 132 . 3 1 1 A 17 17 GLU N N 17 127.173 125.083 2.090 1 1 133 . 3 1 1 A 17 17 GLU H H 17 7.775 8.283 -0.508 1 1 134 . 3 1 1 A 17 17 GLU CA C 17 54.469 54.951 -0.482 1 1 135 . 3 1 1 A 17 17 GLU HA H 17 4.025 4.580 -0.555 1 1 136 . 3 1 1 A 17 17 GLU CB C 17 30.119 29.627 0.492 1 1 142 . 3 1 1 A 17 17 GLU C C 17 174.327 175.347 -1.020 1 1 143 . 3 1 1 A 18 18 ARG N N 18 123.112 121.906 1.206 1 1 144 . 3 1 1 A 18 18 ARG H H 18 7.721 8.220 -0.499 1 1 145 . 3 1 1 A 18 18 ARG CA C 18 55.738 56.316 -0.578 1 1 146 . 3 1 1 A 18 18 ARG HA H 18 3.665 3.933 -0.268 1 1 147 . 3 1 1 A 18 18 ARG CB C 18 30.846 30.680 0.166 1 1 156 . 3 1 1 A 18 18 ARG C C 18 175.954 176.783 -0.829 1 1 157 . 3 1 1 A 19 19 HIS N N 19 121.992 121.789 0.203 1 1 158 . 3 1 1 A 19 19 HIS H H 19 9.200 8.698 0.502 1 1 159 . 3 1 1 A 19 19 HIS CA C 19 56.774 58.258 -1.484 1 1 160 . 3 1 1 A 19 19 HIS HA H 19 4.612 4.302 0.310 1 1 161 . 3 1 1 A 19 19 HIS CB C 19 30.061 29.903 0.158 1 1 168 . 3 1 1 A 19 19 HIS C C 19 174.151 174.750 -0.599 1 1 169 . 3 1 1 A 20 20 ASP N N 20 119.946 116.630 3.316 1 1 170 . 3 1 1 A 20 20 ASP H H 20 8.160 8.082 0.078 1 1 171 . 3 1 1 A 20 20 ASP CA C 20 53.371 52.279 1.092 1 1 172 . 3 1 1 A 20 20 ASP HA H 20 4.785 4.957 -0.172 1 1 173 . 3 1 1 A 20 20 ASP CB C 20 43.492 43.580 -0.088 1 1 176 . 3 1 1 A 20 20 ASP C C 20 176.571 175.555 1.016 1 1 177 . 3 1 1 A 21 21 ASP N N 21 119.329 123.859 -4.530 1 1 178 . 3 1 1 A 21 21 ASP H H 21 8.686 9.100 -0.414 1 1 179 . 3 1 1 A 21 21 ASP CA C 21 56.641 57.324 -0.683 1 1 180 . 3 1 1 A 21 21 ASP HA H 21 4.439 4.335 0.104 1 1 181 . 3 1 1 A 21 21 ASP CB C 21 40.977 40.191 0.786 1 1 184 . 3 1 1 A 21 21 ASP C C 21 176.619 177.947 -1.328 1 1 185 . 3 1 1 A 22 22 ASP N N 22 116.501 118.020 -1.519 1 1 186 . 3 1 1 A 22 22 ASP H H 22 8.702 8.089 0.613 1 1 187 . 3 1 1 A 22 22 ASP CA C 22 54.535 57.635 -3.100 1 1 188 . 3 1 1 A 22 22 ASP HA H 22 4.769 4.586 0.183 1 1 189 . 3 1 1 A 22 22 ASP CB C 22 40.833 40.654 0.179 1 1 192 . 3 1 1 A 22 22 ASP C C 22 176.139 177.637 -1.498 1 1 193 . 3 1 1 A 23 23 GLU N N 23 119.696 117.990 1.706 1 1 194 . 3 1 1 A 23 23 GLU H H 23 7.540 7.874 -0.334 1 1 195 . 3 1 1 A 23 23 GLU CA C 23 55.398 57.381 -1.983 1 1 196 . 3 1 1 A 23 23 GLU HA H 23 4.519 4.246 0.273 1 1 197 . 3 1 1 A 23 23 GLU CB C 23 32.584 30.142 2.442 1 1 203 . 3 1 1 A 23 23 GLU C C 23 175.760 175.903 -0.143 1 1 204 . 3 1 1 A 24 24 LEU N N 24 125.257 124.830 0.427 1 1 205 . 3 1 1 A 24 24 LEU H H 24 8.766 8.466 0.300 1 1 206 . 3 1 1 A 24 24 LEU CA C 24 53.525 53.883 -0.358 1 1 207 . 3 1 1 A 24 24 LEU HA H 24 4.410 5.106 -0.696 1 1 208 . 3 1 1 A 24 24 LEU CB C 24 44.685 44.586 0.099 1 1 221 . 3 1 1 A 24 24 LEU C C 24 173.987 175.256 -1.269 1 1 222 . 3 1 1 A 25 25 GLY N N 25 107.345 114.713 -7.368 1 1 223 . 3 1 1 A 25 25 GLY H H 25 7.584 9.187 -1.603 1 1 224 . 3 1 1 A 25 25 GLY CA C 25 44.096 44.796 -0.700 1 1 225 . 3 1 1 A 25 25 GLY HA2 H 25 3.361 3.985 -0.624 1 1 226 . 3 1 1 A 25 25 GLY HA3 H 25 4.260 4.031 0.229 1 1 227 . 3 1 1 A 25 25 GLY C C 25 173.720 172.704 1.016 1 1 228 . 3 1 1 A 26 26 PHE N N 26 114.043 120.530 -6.487 1 1 229 . 3 1 1 A 26 26 PHE H H 26 8.330 8.335 -0.005 1 1 230 . 3 1 1 A 26 26 PHE CA C 26 56.440 55.246 1.194 1 1 231 . 3 1 1 A 26 26 PHE HA H 26 4.749 5.545 -0.796 1 1 232 . 3 1 1 A 26 26 PHE CB C 26 40.494 42.002 -1.508 1 1 245 . 3 1 1 A 26 26 PHE C C 26 174.820 173.216 1.604 1 1 246 . 3 1 1 A 27 27 ARG N N 27 120.928 119.469 1.459 1 1 247 . 3 1 1 A 27 27 ARG H H 27 9.597 8.896 0.701 1 1 248 . 3 1 1 A 27 27 ARG CA C 27 53.054 54.056 -1.002 1 1 249 . 3 1 1 A 27 27 ARG HA H 27 4.974 4.917 0.057 1 1 250 . 3 1 1 A 27 27 ARG CB C 27 32.687 33.008 -0.321 1 1 259 . 3 1 1 A 27 27 ARG C C 27 175.511 175.675 -0.164 1 1 260 . 3 1 1 A 28 28 LYS N N 28 120.682 122.522 -1.840 1 1 261 . 3 1 1 A 28 28 LYS H H 28 8.922 8.647 0.275 1 1 262 . 3 1 1 A 28 28 LYS CA C 28 59.064 58.285 0.779 1 1 263 . 3 1 1 A 28 28 LYS HA H 28 3.220 3.988 -0.768 1 1 264 . 3 1 1 A 28 28 LYS CB C 28 32.826 32.254 0.572 1 1 276 . 3 1 1 A 28 28 LYS C C 28 177.019 177.343 -0.324 1 1 277 . 3 1 1 A 29 29 ASN N N 29 117.470 118.756 -1.286 1 1 278 . 3 1 1 A 29 29 ASN H H 29 8.728 9.383 -0.655 1 1 279 . 3 1 1 A 29 29 ASN CA C 29 56.477 54.352 2.125 1 1 280 . 3 1 1 A 29 29 ASN HA H 29 4.148 4.295 -0.147 1 1 281 . 3 1 1 A 29 29 ASN CB C 29 37.170 37.183 -0.013 1 1 287 . 3 1 1 A 29 29 ASN C C 29 174.716 173.534 1.182 1 1 288 . 3 1 1 A 30 30 ASP N N 30 122.549 116.519 6.030 1 1 289 . 3 1 1 A 30 30 ASP H H 30 8.527 7.645 0.882 1 1 290 . 3 1 1 A 30 30 ASP CA C 30 56.167 52.749 3.418 1 1 291 . 3 1 1 A 30 30 ASP HA H 30 4.596 5.131 -0.535 1 1 292 . 3 1 1 A 30 30 ASP CB C 30 41.797 43.464 -1.667 1 1 295 . 3 1 1 A 30 30 ASP C C 30 175.177 175.235 -0.058 1 1 296 . 3 1 1 A 31 31 ILE N N 31 119.187 123.652 -4.465 1 1 297 . 3 1 1 A 31 31 ILE H H 31 8.267 8.835 -0.568 1 1 298 . 3 1 1 A 31 31 ILE CA C 31 59.191 60.369 -1.178 1 1 299 . 3 1 1 A 31 31 ILE HA H 31 4.819 4.634 0.185 1 1 300 . 3 1 1 A 31 31 ILE CB C 31 36.702 38.106 -1.404 1 1 313 . 3 1 1 A 31 31 ILE C C 31 175.437 175.386 0.051 1 1 314 . 3 1 1 A 32 32 ILE N N 32 129.566 128.677 0.889 1 1 315 . 3 1 1 A 32 32 ILE H H 32 9.247 9.313 -0.066 1 1 316 . 3 1 1 A 32 32 ILE CA C 32 60.211 59.531 0.680 1 1 317 . 3 1 1 A 32 32 ILE HA H 32 4.140 4.874 -0.734 1 1 318 . 3 1 1 A 32 32 ILE CB C 32 41.978 40.633 1.345 1 1 331 . 3 1 1 A 32 32 ILE C C 32 176.197 175.351 0.846 1 1 332 . 3 1 1 A 33 33 THR N N 33 123.061 122.714 0.347 1 1 333 . 3 1 1 A 33 33 THR H H 33 8.741 8.416 0.325 1 1 334 . 3 1 1 A 33 33 THR CA C 33 63.117 62.983 0.134 1 1 335 . 3 1 1 A 33 33 THR HA H 33 4.583 4.637 -0.054 1 1 336 . 3 1 1 A 33 33 THR CB C 33 69.626 69.015 0.611 1 1 342 . 3 1 1 A 33 33 THR C C 33 174.011 174.290 -0.279 1 1 343 . 3 1 1 A 34 34 ILE N N 34 128.281 128.265 0.016 1 1 344 . 3 1 1 A 34 34 ILE H H 34 9.110 9.132 -0.022 1 1 345 . 3 1 1 A 34 34 ILE CA C 34 61.566 61.398 0.168 1 1 346 . 3 1 1 A 34 34 ILE HA H 34 4.117 4.128 -0.011 1 1 347 . 3 1 1 A 34 34 ILE CB C 34 36.785 36.553 0.232 1 1 360 . 3 1 1 A 34 34 ILE C C 34 175.420 175.308 0.112 1 1 361 . 3 1 1 A 35 35 ILE N N 35 128.859 130.140 -1.281 1 1 362 . 3 1 1 A 35 35 ILE H H 35 9.359 8.926 0.433 1 1 363 . 3 1 1 A 35 35 ILE CA C 35 60.949 63.281 -2.332 1 1 364 . 3 1 1 A 35 35 ILE HA H 35 4.224 3.997 0.227 1 1 365 . 3 1 1 A 35 35 ILE CB C 35 38.186 38.645 -0.459 1 1 378 . 3 1 1 A 35 35 ILE C C 35 176.253 176.030 0.223 1 1 379 . 3 1 1 A 36 36 SER N N 36 111.665 113.123 -1.458 1 1 380 . 3 1 1 A 36 36 SER H H 36 7.882 7.706 0.176 1 1 381 . 3 1 1 A 36 36 SER CA C 36 57.605 56.761 0.844 1 1 382 . 3 1 1 A 36 36 SER HA H 36 4.525 4.732 -0.207 1 1 383 . 3 1 1 A 36 36 SER CB C 36 64.435 65.965 -1.530 1 1 386 . 3 1 1 A 36 36 SER C C 36 172.845 172.556 0.289 1 1 387 . 3 1 1 A 37 37 GLN N N 37 116.906 122.162 -5.256 1 1 388 . 3 1 1 A 37 37 GLN H H 37 8.055 8.545 -0.490 1 1 389 . 3 1 1 A 37 37 GLN CA C 37 54.718 54.075 0.643 1 1 390 . 3 1 1 A 37 37 GLN HA H 37 4.420 4.835 -0.415 1 1 391 . 3 1 1 A 37 37 GLN CB C 37 29.381 29.157 0.224 1 1 400 . 3 1 1 A 37 37 GLN C C 37 175.080 176.048 -0.968 1 1 401 . 3 1 1 A 38 38 LYS N N 38 124.909 124.501 0.408 1 1 402 . 3 1 1 A 38 38 LYS H H 38 8.046 8.598 -0.552 1 1 403 . 3 1 1 A 38 38 LYS CA C 38 58.998 59.389 -0.391 1 1 404 . 3 1 1 A 38 38 LYS HA H 38 4.076 3.966 0.110 1 1 405 . 3 1 1 A 38 38 LYS CB C 38 33.116 32.398 0.718 1 1 417 . 3 1 1 A 38 38 LYS C C 38 176.508 176.204 0.304 1 1 418 . 3 1 1 A 39 39 ASP N N 39 117.133 115.039 2.094 1 1 419 . 3 1 1 A 39 39 ASP H H 39 8.296 8.112 0.184 1 1 420 . 3 1 1 A 39 39 ASP CA C 39 53.294 53.333 -0.039 1 1 421 . 3 1 1 A 39 39 ASP HA H 39 4.558 4.916 -0.358 1 1 422 . 3 1 1 A 39 39 ASP CB C 39 41.847 43.876 -2.029 1 1 425 . 3 1 1 A 39 39 ASP C C 39 175.201 175.139 0.062 1 1 426 . 3 1 1 A 40 40 GLU N N 40 116.223 122.026 -5.803 1 1 427 . 3 1 1 A 40 40 GLU H H 40 8.564 9.021 -0.457 1 1 428 . 3 1 1 A 40 40 GLU CA C 40 58.748 58.850 -0.102 1 1 429 . 3 1 1 A 40 40 GLU HA H 40 4.088 4.476 -0.388 1 1 430 . 3 1 1 A 40 40 GLU CB C 40 29.696 29.304 0.392 1 1 436 . 3 1 1 A 40 40 GLU C C 40 176.367 176.611 -0.244 1 1 437 . 3 1 1 A 41 41 HIS N N 41 114.612 114.210 0.402 1 1 438 . 3 1 1 A 41 41 HIS H H 41 8.383 8.309 0.074 1 1 439 . 3 1 1 A 41 41 HIS CA C 41 56.873 56.599 0.274 1 1 440 . 3 1 1 A 41 41 HIS HA H 41 4.613 4.645 -0.032 1 1 441 . 3 1 1 A 41 41 HIS CB C 41 32.910 32.115 0.795 1 1 448 . 3 1 1 A 41 41 HIS C C 41 176.755 175.173 1.582 1 1 449 . 3 1 1 A 42 42 CYS N N 42 122.290 115.301 6.989 1 1 450 . 3 1 1 A 42 42 CYS H H 42 8.337 7.809 0.528 1 1 451 . 3 1 1 A 42 42 CYS CA C 42 58.168 57.402 0.766 1 1 452 . 3 1 1 A 42 42 CYS HA H 42 4.885 4.943 -0.058 1 1 453 . 3 1 1 A 42 42 CYS CB C 42 29.227 29.687 -0.460 1 1 456 . 3 1 1 A 42 42 CYS C C 42 172.892 173.901 -1.009 1 1 457 . 3 1 1 A 43 43 TRP N N 43 127.114 124.705 2.409 1 1 458 . 3 1 1 A 43 43 TRP H H 43 8.333 9.029 -0.696 1 1 459 . 3 1 1 A 43 43 TRP CA C 43 53.262 55.702 -2.440 1 1 460 . 3 1 1 A 43 43 TRP HA H 43 5.307 5.279 0.028 1 1 461 . 3 1 1 A 43 43 TRP CB C 43 33.323 32.517 0.806 1 1 476 . 3 1 1 A 43 43 TRP C C 43 173.064 175.262 -2.198 1 1 477 . 3 1 1 A 44 44 VAL N N 44 117.650 120.585 -2.935 1 1 478 . 3 1 1 A 44 44 VAL H H 44 8.591 8.778 -0.187 1 1 479 . 3 1 1 A 44 44 VAL CA C 44 61.801 60.850 0.951 1 1 480 . 3 1 1 A 44 44 VAL HA H 44 4.739 4.940 -0.201 1 1 481 . 3 1 1 A 44 44 VAL CB C 44 32.962 34.410 -1.448 1 1 491 . 3 1 1 A 44 44 VAL C C 44 176.980 175.086 1.894 1 1 492 . 3 1 1 A 45 45 GLY N N 45 115.010 115.144 -0.134 1 1 493 . 3 1 1 A 45 45 GLY H H 45 9.469 8.528 0.941 1 1 494 . 3 1 1 A 45 45 GLY CA C 45 45.159 44.607 0.552 1 1 495 . 3 1 1 A 45 45 GLY HA2 H 45 3.769 4.376 -0.607 1 1 496 . 3 1 1 A 45 45 GLY HA3 H 45 5.478 4.592 0.886 1 1 497 . 3 1 1 A 45 45 GLY C C 45 170.022 172.301 -2.279 1 1 498 . 3 1 1 A 46 46 GLU N N 46 118.202 120.277 -2.075 1 1 499 . 3 1 1 A 46 46 GLU H H 46 9.072 8.953 0.119 1 1 500 . 3 1 1 A 46 46 GLU CA C 46 54.226 55.407 -1.181 1 1 501 . 3 1 1 A 46 46 GLU HA H 46 5.720 5.561 0.159 1 1 502 . 3 1 1 A 46 46 GLU CB C 46 34.724 33.069 1.655 1 1 508 . 3 1 1 A 46 46 GLU C C 46 174.843 174.771 0.072 1 1 509 . 3 1 1 A 47 47 LEU N N 47 125.182 126.753 -1.571 1 1 510 . 3 1 1 A 47 47 LEU H H 47 8.880 8.674 0.206 1 1 511 . 3 1 1 A 47 47 LEU CA C 47 55.064 54.100 0.964 1 1 512 . 3 1 1 A 47 47 LEU HA H 47 4.711 4.611 0.100 1 1 513 . 3 1 1 A 47 47 LEU CB C 47 45.900 45.149 0.751 1 1 526 . 3 1 1 A 47 47 LEU C C 47 176.130 175.322 0.808 1 1 527 . 3 1 1 A 48 48 ASN N N 48 127.515 124.809 2.706 1 1 528 . 3 1 1 A 48 48 ASN H H 48 9.796 9.356 0.440 1 1 529 . 3 1 1 A 48 48 ASN CA C 48 54.407 54.528 -0.121 1 1 530 . 3 1 1 A 48 48 ASN HA H 48 4.457 4.495 -0.038 1 1 531 . 3 1 1 A 48 48 ASN CB C 48 37.546 37.312 0.234 1 1 537 . 3 1 1 A 48 48 ASN C C 48 174.935 175.656 -0.721 1 1 538 . 3 1 1 A 49 49 GLY N N 49 104.068 104.520 -0.452 1 1 539 . 3 1 1 A 49 49 GLY H H 49 8.891 8.735 0.156 1 1 540 . 3 1 1 A 49 49 GLY CA C 49 45.471 46.048 -0.577 1 1 541 . 3 1 1 A 49 49 GLY HA2 H 49 3.621 3.922 -0.301 1 1 542 . 3 1 1 A 49 49 GLY HA3 H 49 4.230 3.924 0.306 1 1 543 . 3 1 1 A 49 49 GLY C C 49 173.671 173.839 -0.168 1 1 544 . 3 1 1 A 50 50 LEU N N 50 122.996 120.733 2.263 1 1 545 . 3 1 1 A 50 50 LEU H H 50 7.818 7.854 -0.036 1 1 546 . 3 1 1 A 50 50 LEU CA C 50 53.971 53.097 0.874 1 1 547 . 3 1 1 A 50 50 LEU HA H 50 4.727 4.981 -0.254 1 1 548 . 3 1 1 A 50 50 LEU CB C 50 43.482 45.330 -1.848 1 1 561 . 3 1 1 A 50 50 LEU C C 50 174.930 175.523 -0.593 1 1 562 . 3 1 1 A 51 51 ARG N N 51 119.072 119.687 -0.615 1 1 563 . 3 1 1 A 51 51 ARG H H 51 8.410 8.571 -0.161 1 1 564 . 3 1 1 A 51 51 ARG CA C 51 54.020 54.622 -0.602 1 1 565 . 3 1 1 A 51 51 ARG HA H 51 5.843 5.327 0.516 1 1 566 . 3 1 1 A 51 51 ARG CB C 51 34.724 33.541 1.183 1 1 575 . 3 1 1 A 51 51 ARG C C 51 176.707 175.839 0.868 1 1 576 . 3 1 1 A 52 52 GLY N N 52 109.058 109.560 -0.502 1 1 577 . 3 1 1 A 52 52 GLY H H 52 8.661 8.208 0.453 1 1 578 . 3 1 1 A 52 52 GLY CA C 52 45.683 46.085 -0.402 1 1 579 . 3 1 1 A 52 52 GLY HA2 H 52 3.975 4.454 -0.479 1 1 580 . 3 1 1 A 52 52 GLY HA3 H 52 4.248 4.458 -0.210 1 1 581 . 3 1 1 A 52 52 GLY C C 52 171.261 172.741 -1.480 1 1 582 . 3 1 1 A 53 53 TRP N N 53 119.558 118.194 1.364 1 1 583 . 3 1 1 A 53 53 TRP H H 53 8.825 8.862 -0.037 1 1 584 . 3 1 1 A 53 53 TRP CA C 53 55.402 54.514 0.888 1 1 585 . 3 1 1 A 53 53 TRP HA H 53 6.222 5.940 0.282 1 1 586 . 3 1 1 A 53 53 TRP CB C 53 31.856 33.207 -1.351 1 1 601 . 3 1 1 A 53 53 TRP C C 53 176.100 174.599 1.501 1 1 602 . 3 1 1 A 54 54 PHE N N 54 115.426 115.740 -0.314 1 1 603 . 3 1 1 A 54 54 PHE H H 54 8.976 8.586 0.390 1 1 604 . 3 1 1 A 54 54 PHE CA C 54 55.805 55.514 0.291 1 1 605 . 3 1 1 A 54 54 PHE HA H 54 4.833 4.391 0.442 1 1 606 . 3 1 1 A 54 54 PHE CB C 54 39.295 39.398 -0.103 1 1 619 . 3 1 1 A 54 54 PHE C C 54 171.898 171.755 0.143 1 1 620 . 3 1 1 A 55 55 PRO CA C 55 61.963 62.702 -0.739 1 1 621 . 3 1 1 A 55 55 PRO HA H 55 4.654 4.979 -0.325 1 1 622 . 3 1 1 A 55 55 PRO CB C 55 31.179 31.836 -0.657 1 1 631 . 3 1 1 A 55 55 PRO C C 55 177.168 177.749 -0.581 1 1 632 . 3 1 1 A 56 56 ALA N N 56 130.132 127.858 2.274 1 1 633 . 3 1 1 A 56 56 ALA H H 56 7.818 8.491 -0.673 1 1 634 . 3 1 1 A 56 56 ALA CA C 56 55.045 55.097 -0.052 1 1 635 . 3 1 1 A 56 56 ALA HA H 56 3.032 3.981 -0.949 1 1 636 . 3 1 1 A 56 56 ALA CB C 56 16.542 17.236 -0.694 1 1 640 . 3 1 1 A 56 56 ALA C C 56 178.595 179.719 -1.124 1 1 641 . 3 1 1 A 57 57 LYS N N 57 110.974 116.016 -5.042 1 1 642 . 3 1 1 A 57 57 LYS H H 57 8.024 8.000 0.024 1 1 643 . 3 1 1 A 57 57 LYS CA C 57 57.118 58.626 -1.508 1 1 644 . 3 1 1 A 57 57 LYS HA H 57 4.213 4.028 0.185 1 1 645 . 3 1 1 A 57 57 LYS CB C 57 31.641 31.877 -0.236 1 1 657 . 3 1 1 A 57 57 LYS C C 57 177.053 178.211 -1.158 1 1 658 . 3 1 1 A 58 58 PHE N N 58 118.768 118.214 0.554 1 1 659 . 3 1 1 A 58 58 PHE H H 58 7.911 7.677 0.234 1 1 660 . 3 1 1 A 58 58 PHE CA C 58 56.933 61.276 -4.343 1 1 661 . 3 1 1 A 58 58 PHE HA H 58 4.739 4.291 0.448 1 1 662 . 3 1 1 A 58 58 PHE CB C 58 38.643 39.279 -0.636 1 1 675 . 3 1 1 A 58 58 PHE C C 58 174.837 175.942 -1.105 1 1 676 . 3 1 1 A 59 59 VAL N N 59 109.843 113.647 -3.804 1 1 677 . 3 1 1 A 59 59 VAL H H 59 7.796 7.698 0.098 1 1 678 . 3 1 1 A 59 59 VAL CA C 59 58.332 59.661 -1.329 1 1 679 . 3 1 1 A 59 59 VAL HA H 59 5.333 4.744 0.589 1 1 680 . 3 1 1 A 59 59 VAL CB C 59 35.704 34.921 0.783 1 1 690 . 3 1 1 A 59 59 VAL C C 59 173.452 174.382 -0.930 1 1 691 . 3 1 1 A 60 60 GLU N N 60 119.932 120.931 -0.999 1 1 692 . 3 1 1 A 60 60 GLU H H 60 8.699 8.627 0.072 1 1 693 . 3 1 1 A 60 60 GLU CA C 60 54.202 55.021 -0.819 1 1 694 . 3 1 1 A 60 60 GLU HA H 60 4.863 4.836 0.027 1 1 695 . 3 1 1 A 60 60 GLU CB C 60 33.573 33.673 -0.100 1 1 701 . 3 1 1 A 60 60 GLU C C 60 176.100 175.315 0.785 1 1 702 . 3 1 1 A 61 61 VAL N N 61 127.661 127.032 0.629 1 1 703 . 3 1 1 A 61 61 VAL H H 61 9.107 8.616 0.491 1 1 704 . 3 1 1 A 61 61 VAL CA C 61 64.612 62.572 2.040 1 1 705 . 3 1 1 A 61 61 VAL HA H 61 3.957 4.402 -0.445 1 1 706 . 3 1 1 A 61 61 VAL CB C 61 31.875 32.282 -0.407 1 1 716 . 3 1 1 A 61 61 VAL C C 61 176.294 175.240 1.054 1 1 717 . 3 1 1 A 62 62 LEU N N 62 128.512 124.802 3.710 1 1 718 . 3 1 1 A 62 62 LEU H H 62 8.777 8.113 0.664 1 1 719 . 3 1 1 A 62 62 LEU CA C 62 54.677 53.534 1.143 1 1 720 . 3 1 1 A 62 62 LEU HA H 62 4.456 4.977 -0.521 1 1 721 . 3 1 1 A 62 62 LEU CB C 62 42.548 45.549 -3.001 1 1 734 . 3 1 1 A 62 62 LEU C C 62 176.888 176.244 0.644 1 1 735 . 3 1 1 A 63 63 ASP N N 63 122.605 122.279 0.326 1 1 736 . 3 1 1 A 63 63 ASP H H 63 8.588 8.395 0.193 1 1 737 . 3 1 1 A 63 63 ASP CA C 63 53.971 52.770 1.201 1 1 738 . 3 1 1 A 63 63 ASP HA H 63 4.643 4.937 -0.294 1 1 739 . 3 1 1 A 63 63 ASP CB C 63 41.629 39.702 1.927 1 1 742 . 3 1 1 A 63 63 ASP C C 63 176.460 175.655 0.805 1 1 743 . 3 1 1 A 64 64 GLU N N 64 122.614 113.660 8.954 1 1 744 . 3 1 1 A 64 64 GLU H H 64 8.634 7.982 0.652 1 1 745 . 3 1 1 A 64 64 GLU CA C 64 57.086 57.368 -0.282 1 1 746 . 3 1 1 A 64 64 GLU HA H 64 4.158 3.851 0.307 1 1 747 . 3 1 1 A 64 64 GLU CB C 64 30.055 27.844 2.211 1 1 753 . 3 1 1 A 64 64 GLU C C 64 176.801 174.572 2.229 1 1 754 . 3 1 1 A 65 65 ARG N N 65 120.526 119.526 1.000 1 1 755 . 3 1 1 A 65 65 ARG H H 65 8.416 7.668 0.748 1 1 756 . 3 1 1 A 65 65 ARG CA C 65 56.430 55.636 0.794 1 1 757 . 3 1 1 A 65 65 ARG HA H 65 4.323 4.762 -0.439 1 1 758 . 3 1 1 A 65 65 ARG CB C 65 30.493 32.141 -1.648 1 1 767 . 3 1 1 A 65 65 ARG C C 65 176.896 175.205 1.691 1 1 768 . 3 1 1 A 66 66 SER N N 66 116.214 119.707 -3.493 1 1 769 . 3 1 1 A 66 66 SER H H 66 8.225 8.747 -0.522 1 1 770 . 3 1 1 A 66 66 SER CA C 66 58.732 57.353 1.379 1 1 771 . 3 1 1 A 66 66 SER HA H 66 4.799 5.234 -0.435 1 1 772 . 3 1 1 A 66 66 SER CB C 66 63.879 66.102 -2.223 1 1 775 . 3 1 1 A 66 66 SER C C 66 175.225 173.319 1.906 1 1 776 . 3 1 1 A 67 67 LYS CA C 67 56.993 55.860 1.133 1 1 777 . 3 1 1 A 67 67 LYS HA H 67 4.270 4.696 -0.426 1 1 778 . 3 1 1 A 67 67 LYS CB C 67 32.724 36.643 -3.919 1 1 790 . 3 1 1 A 68 68 GLU N N 68 120.561 122.914 -2.353 1 1 791 . 3 1 1 A 68 68 GLU H H 68 8.417 8.674 -0.257 1 1 792 . 3 1 1 A 68 68 GLU CA C 68 57.144 54.288 2.856 1 1 793 . 3 1 1 A 68 68 GLU HA H 68 4.193 4.615 -0.422 1 1 794 . 3 1 1 A 68 68 GLU CB C 68 30.025 33.829 -3.804 1 1 800 . 3 1 1 A 68 68 GLU C C 68 176.828 173.931 2.897 1 1 801 . 3 1 1 A 69 69 TYR N N 69 120.399 118.170 2.229 1 1 802 . 3 1 1 A 69 69 TYR H H 69 8.027 8.446 -0.419 1 1 803 . 3 1 1 A 69 69 TYR CA C 69 58.296 56.589 1.707 1 1 804 . 3 1 1 A 69 69 TYR HA H 69 4.504 5.071 -0.567 1 1 805 . 3 1 1 A 69 69 TYR CB C 69 38.965 42.960 -3.995 1 1 816 . 3 1 1 A 69 69 TYR C C 69 176.367 174.745 1.622 1 1 817 . 3 1 1 A 70 70 SER N N 70 117.031 117.471 -0.440 1 1 818 . 3 1 1 A 70 70 SER H H 70 8.067 8.804 -0.737 1 1 819 . 3 1 1 A 70 70 SER CA C 70 58.167 57.684 0.483 1 1 820 . 3 1 1 A 70 70 SER HA H 70 4.441 4.730 -0.289 1 1 821 . 3 1 1 A 70 70 SER CB C 70 63.911 63.889 0.022 1 1 824 . 3 1 1 A 70 70 SER C C 70 174.448 174.103 0.345 1 1 825 . 3 1 1 A 71 71 ILE N N 71 122.402 122.495 -0.093 1 1 826 . 3 1 1 A 71 71 ILE H H 71 8.083 8.340 -0.257 1 1 827 . 3 1 1 A 71 71 ILE CA C 71 61.411 61.169 0.242 1 1 828 . 3 1 1 A 71 71 ILE HA H 71 4.161 4.068 0.093 1 1 829 . 3 1 1 A 71 71 ILE CB C 71 38.779 38.642 0.137 1 1 842 . 3 1 1 A 71 71 ILE C C 71 176.172 175.680 0.492 1 1 843 . 3 1 1 A 72 72 ALA N N 72 127.574 127.847 -0.273 1 1 844 . 3 1 1 A 72 72 ALA H H 72 8.306 8.489 -0.183 1 1 845 . 3 1 1 A 72 72 ALA CA C 72 52.631 51.370 1.261 1 1 846 . 3 1 1 A 72 72 ALA HA H 72 4.366 4.633 -0.267 1 1 847 . 3 1 1 A 72 72 ALA CB C 72 19.242 19.154 0.088 1 1 851 . 3 1 1 A 72 72 ALA C C 72 177.702 177.214 0.488 1 1 852 . 3 1 1 A 73 73 SER N N 73 115.199 118.709 -3.510 1 1 853 . 3 1 1 A 73 73 SER H H 73 8.223 8.585 -0.362 1 1 854 . 3 1 1 A 73 73 SER CA C 73 58.285 57.627 0.658 1 1 855 . 3 1 1 A 73 73 SER HA H 73 4.471 4.769 -0.298 1 1 856 . 3 1 1 A 73 73 SER CB C 73 64.233 64.954 -0.721 1 1 859 . 3 1 1 A 73 73 SER C C 73 174.639 174.653 -0.014 1 1 860 . 3 1 1 A 74 74 GLY N N 74 110.616 107.395 3.221 1 1 861 . 3 1 1 A 74 74 GLY H H 74 8.185 8.363 -0.178 1 1 862 . 3 1 1 A 74 74 GLY CA C 74 44.677 44.524 0.153 1 1 863 . 3 1 1 A 74 74 GLY HA2 H 74 4.171 4.223 -0.052 1 1 864 . 3 1 1 A 74 74 GLY HA3 H 74 4.107 4.223 -0.116 1 1 865 . 3 1 1 A 74 74 GLY C C 74 171.850 172.117 -0.267 1 1 866 . 3 1 1 A 75 75 PRO CA C 75 63.266 62.829 0.437 1 1 867 . 3 1 1 A 75 75 PRO HA H 75 4.487 4.515 -0.028 1 1 868 . 3 1 1 A 75 75 PRO CB C 75 32.196 32.034 0.162 1 1 877 . 3 1 1 A 76 76 SER N N 76 116.439 118.138 -1.699 1 1 878 . 3 1 1 A 76 76 SER H H 76 8.562 8.659 -0.097 1 1 879 . 3 1 1 A 76 76 SER CA C 76 58.747 56.930 1.817 1 1 880 . 3 1 1 A 76 76 SER CB C 76 64.105 62.641 1.464 1 1 1 . 4 1 1 A 6 6 SER CA C 6 58.690 56.171 2.519 1 1 2 . 4 1 1 A 6 6 SER HA H 6 4.411 5.320 -0.909 1 1 3 . 4 1 1 A 7 7 GLY N N 7 110.826 111.874 -1.048 1 1 4 . 4 1 1 A 7 7 GLY H H 7 8.436 8.572 -0.136 1 1 5 . 4 1 1 A 7 7 GLY CA C 7 45.315 45.134 0.181 1 1 6 . 4 1 1 A 7 7 GLY HA2 H 7 4.029 4.217 -0.188 1 1 7 . 4 1 1 A 7 7 GLY HA3 H 7 3.918 4.220 -0.302 1 1 8 . 4 1 1 A 7 7 GLY C C 7 173.788 172.435 1.353 1 1 9 . 4 1 1 A 8 8 ARG N N 8 120.458 125.769 -5.311 1 1 10 . 4 1 1 A 8 8 ARG H H 8 8.272 8.320 -0.048 1 1 11 . 4 1 1 A 8 8 ARG CA C 8 55.715 54.059 1.656 1 1 12 . 4 1 1 A 8 8 ARG HA H 8 4.500 4.931 -0.431 1 1 13 . 4 1 1 A 8 8 ARG CB C 8 31.541 33.964 -2.423 1 1 22 . 4 1 1 A 8 8 ARG C C 8 175.201 175.320 -0.119 1 1 23 . 4 1 1 A 9 9 ARG N N 9 121.537 119.899 1.638 1 1 24 . 4 1 1 A 9 9 ARG H H 9 8.879 8.590 0.289 1 1 25 . 4 1 1 A 9 9 ARG CA C 9 54.737 54.174 0.563 1 1 26 . 4 1 1 A 9 9 ARG HA H 9 5.288 5.326 -0.038 1 1 27 . 4 1 1 A 9 9 ARG CB C 9 34.064 33.758 0.306 1 1 36 . 4 1 1 A 9 9 ARG C C 9 174.910 174.405 0.505 1 1 37 . 4 1 1 A 10 10 ALA N N 10 122.000 125.701 -3.701 1 1 38 . 4 1 1 A 10 10 ALA H H 10 9.200 8.739 0.461 1 1 39 . 4 1 1 A 10 10 ALA CA C 10 50.229 49.916 0.313 1 1 40 . 4 1 1 A 10 10 ALA HA H 10 5.143 5.616 -0.473 1 1 41 . 4 1 1 A 10 10 ALA CB C 10 23.552 22.491 1.061 1 1 45 . 4 1 1 A 10 10 ALA C C 10 173.920 175.097 -1.177 1 1 46 . 4 1 1 A 11 11 LYS N N 11 121.984 122.357 -0.373 1 1 47 . 4 1 1 A 11 11 LYS H H 11 8.962 8.702 0.260 1 1 48 . 4 1 1 A 11 11 LYS CA C 11 53.936 54.726 -0.790 1 1 49 . 4 1 1 A 11 11 LYS HA H 11 5.043 5.019 0.024 1 1 50 . 4 1 1 A 11 11 LYS CB C 11 35.705 34.867 0.838 1 1 62 . 4 1 1 A 11 11 LYS C C 11 176.193 176.249 -0.056 1 1 63 . 4 1 1 A 12 12 ALA N N 12 128.384 128.756 -0.372 1 1 64 . 4 1 1 A 12 12 ALA H H 12 8.974 8.917 0.057 1 1 65 . 4 1 1 A 12 12 ALA CA C 12 52.878 52.580 0.298 1 1 66 . 4 1 1 A 12 12 ALA HA H 12 4.271 4.317 -0.046 1 1 67 . 4 1 1 A 12 12 ALA CB C 12 21.024 18.898 2.126 1 1 71 . 4 1 1 A 12 12 ALA C C 12 179.524 177.165 2.359 1 1 72 . 4 1 1 A 13 13 LEU N N 13 126.125 124.879 1.246 1 1 73 . 4 1 1 A 13 13 LEU H H 13 9.490 8.944 0.546 1 1 74 . 4 1 1 A 13 13 LEU CA C 13 55.697 55.939 -0.242 1 1 75 . 4 1 1 A 13 13 LEU HA H 13 4.258 4.363 -0.105 1 1 76 . 4 1 1 A 13 13 LEU CB C 13 43.073 42.920 0.153 1 1 89 . 4 1 1 A 13 13 LEU C C 13 175.705 176.836 -1.131 1 1 90 . 4 1 1 A 14 14 LEU N N 14 116.229 114.156 2.073 1 1 91 . 4 1 1 A 14 14 LEU H H 14 7.638 7.665 -0.027 1 1 92 . 4 1 1 A 14 14 LEU CA C 14 53.715 53.772 -0.057 1 1 93 . 4 1 1 A 14 14 LEU HA H 14 4.436 4.648 -0.212 1 1 94 . 4 1 1 A 14 14 LEU CB C 14 45.286 43.428 1.858 1 1 107 . 4 1 1 A 14 14 LEU C C 14 173.987 174.827 -0.840 1 1 108 . 4 1 1 A 15 15 ASP N N 15 116.528 118.302 -1.774 1 1 109 . 4 1 1 A 15 15 ASP H H 15 8.047 8.515 -0.468 1 1 110 . 4 1 1 A 15 15 ASP CA C 15 54.712 54.285 0.427 1 1 111 . 4 1 1 A 15 15 ASP HA H 15 4.628 4.955 -0.327 1 1 112 . 4 1 1 A 15 15 ASP CB C 15 41.437 41.518 -0.081 1 1 115 . 4 1 1 A 16 16 PHE N N 16 123.405 126.063 -2.658 1 1 116 . 4 1 1 A 16 16 PHE H H 16 8.414 8.750 -0.336 1 1 117 . 4 1 1 A 16 16 PHE CA C 16 56.555 56.163 0.392 1 1 118 . 4 1 1 A 16 16 PHE HA H 16 4.576 4.564 0.012 1 1 119 . 4 1 1 A 16 16 PHE CB C 16 41.647 38.840 2.807 1 1 132 . 4 1 1 A 17 17 GLU N N 17 127.173 128.247 -1.074 1 1 133 . 4 1 1 A 17 17 GLU H H 17 7.775 8.399 -0.624 1 1 134 . 4 1 1 A 17 17 GLU CA C 17 54.469 55.452 -0.983 1 1 135 . 4 1 1 A 17 17 GLU HA H 17 4.025 4.262 -0.237 1 1 136 . 4 1 1 A 17 17 GLU CB C 17 30.119 29.831 0.288 1 1 142 . 4 1 1 A 17 17 GLU C C 17 174.327 175.232 -0.905 1 1 143 . 4 1 1 A 18 18 ARG N N 18 123.112 124.907 -1.795 1 1 144 . 4 1 1 A 18 18 ARG H H 18 7.721 8.177 -0.456 1 1 145 . 4 1 1 A 18 18 ARG CA C 18 55.738 56.170 -0.432 1 1 146 . 4 1 1 A 18 18 ARG HA H 18 3.665 3.705 -0.040 1 1 147 . 4 1 1 A 18 18 ARG CB C 18 30.846 30.647 0.199 1 1 156 . 4 1 1 A 18 18 ARG C C 18 175.954 176.534 -0.580 1 1 157 . 4 1 1 A 19 19 HIS N N 19 121.992 120.661 1.331 1 1 158 . 4 1 1 A 19 19 HIS H H 19 9.200 8.568 0.632 1 1 159 . 4 1 1 A 19 19 HIS CA C 19 56.774 58.600 -1.826 1 1 160 . 4 1 1 A 19 19 HIS HA H 19 4.612 4.336 0.276 1 1 161 . 4 1 1 A 19 19 HIS CB C 19 30.061 30.836 -0.775 1 1 168 . 4 1 1 A 19 19 HIS C C 19 174.151 174.248 -0.097 1 1 169 . 4 1 1 A 20 20 ASP N N 20 119.946 115.797 4.149 1 1 170 . 4 1 1 A 20 20 ASP H H 20 8.160 7.938 0.222 1 1 171 . 4 1 1 A 20 20 ASP CA C 20 53.371 52.905 0.466 1 1 172 . 4 1 1 A 20 20 ASP HA H 20 4.785 4.803 -0.018 1 1 173 . 4 1 1 A 20 20 ASP CB C 20 43.492 43.728 -0.236 1 1 176 . 4 1 1 A 20 20 ASP C C 20 176.571 176.193 0.378 1 1 177 . 4 1 1 A 21 21 ASP N N 21 119.329 123.422 -4.093 1 1 178 . 4 1 1 A 21 21 ASP H H 21 8.686 8.965 -0.279 1 1 179 . 4 1 1 A 21 21 ASP CA C 21 56.641 58.503 -1.862 1 1 180 . 4 1 1 A 21 21 ASP HA H 21 4.439 4.196 0.243 1 1 181 . 4 1 1 A 21 21 ASP CB C 21 40.977 41.482 -0.505 1 1 184 . 4 1 1 A 21 21 ASP C C 21 176.619 177.438 -0.819 1 1 185 . 4 1 1 A 22 22 ASP N N 22 116.501 116.119 0.382 1 1 186 . 4 1 1 A 22 22 ASP H H 22 8.702 8.673 0.029 1 1 187 . 4 1 1 A 22 22 ASP CA C 22 54.535 56.904 -2.369 1 1 188 . 4 1 1 A 22 22 ASP HA H 22 4.769 4.524 0.245 1 1 189 . 4 1 1 A 22 22 ASP CB C 22 40.833 40.386 0.447 1 1 192 . 4 1 1 A 22 22 ASP C C 22 176.139 176.916 -0.777 1 1 193 . 4 1 1 A 23 23 GLU N N 23 119.696 120.394 -0.698 1 1 194 . 4 1 1 A 23 23 GLU H H 23 7.540 7.984 -0.444 1 1 195 . 4 1 1 A 23 23 GLU CA C 23 55.398 56.588 -1.190 1 1 196 . 4 1 1 A 23 23 GLU HA H 23 4.519 3.988 0.531 1 1 197 . 4 1 1 A 23 23 GLU CB C 23 32.584 30.041 2.543 1 1 203 . 4 1 1 A 23 23 GLU C C 23 175.760 175.997 -0.237 1 1 204 . 4 1 1 A 24 24 LEU N N 24 125.257 126.912 -1.655 1 1 205 . 4 1 1 A 24 24 LEU H H 24 8.766 8.940 -0.174 1 1 206 . 4 1 1 A 24 24 LEU CA C 24 53.525 54.075 -0.550 1 1 207 . 4 1 1 A 24 24 LEU HA H 24 4.410 4.895 -0.485 1 1 208 . 4 1 1 A 24 24 LEU CB C 24 44.685 43.750 0.935 1 1 221 . 4 1 1 A 24 24 LEU C C 24 173.987 175.639 -1.652 1 1 222 . 4 1 1 A 25 25 GLY N N 25 107.345 114.179 -6.834 1 1 223 . 4 1 1 A 25 25 GLY H H 25 7.584 8.964 -1.380 1 1 224 . 4 1 1 A 25 25 GLY CA C 25 44.096 44.690 -0.594 1 1 225 . 4 1 1 A 25 25 GLY HA2 H 25 3.361 3.869 -0.508 1 1 226 . 4 1 1 A 25 25 GLY HA3 H 25 4.260 3.980 0.280 1 1 227 . 4 1 1 A 25 25 GLY C C 25 173.720 172.576 1.144 1 1 228 . 4 1 1 A 26 26 PHE N N 26 114.043 116.550 -2.507 1 1 229 . 4 1 1 A 26 26 PHE H H 26 8.330 8.107 0.223 1 1 230 . 4 1 1 A 26 26 PHE CA C 26 56.440 56.140 0.300 1 1 231 . 4 1 1 A 26 26 PHE HA H 26 4.749 5.176 -0.427 1 1 232 . 4 1 1 A 26 26 PHE CB C 26 40.494 41.198 -0.704 1 1 245 . 4 1 1 A 26 26 PHE C C 26 174.820 172.514 2.306 1 1 246 . 4 1 1 A 27 27 ARG N N 27 120.928 118.656 2.272 1 1 247 . 4 1 1 A 27 27 ARG H H 27 9.597 9.031 0.566 1 1 248 . 4 1 1 A 27 27 ARG CA C 27 53.054 53.889 -0.835 1 1 249 . 4 1 1 A 27 27 ARG HA H 27 4.974 5.260 -0.286 1 1 250 . 4 1 1 A 27 27 ARG CB C 27 32.687 33.753 -1.066 1 1 259 . 4 1 1 A 27 27 ARG C C 27 175.511 175.585 -0.074 1 1 260 . 4 1 1 A 28 28 LYS N N 28 120.682 122.796 -2.114 1 1 261 . 4 1 1 A 28 28 LYS H H 28 8.922 8.527 0.395 1 1 262 . 4 1 1 A 28 28 LYS CA C 28 59.064 58.265 0.799 1 1 263 . 4 1 1 A 28 28 LYS HA H 28 3.220 4.033 -0.813 1 1 264 . 4 1 1 A 28 28 LYS CB C 28 32.826 32.219 0.607 1 1 276 . 4 1 1 A 28 28 LYS C C 28 177.019 177.310 -0.291 1 1 277 . 4 1 1 A 29 29 ASN N N 29 117.470 118.757 -1.287 1 1 278 . 4 1 1 A 29 29 ASN H H 29 8.728 9.122 -0.394 1 1 279 . 4 1 1 A 29 29 ASN CA C 29 56.477 54.278 2.199 1 1 280 . 4 1 1 A 29 29 ASN HA H 29 4.148 4.293 -0.145 1 1 281 . 4 1 1 A 29 29 ASN CB C 29 37.170 37.184 -0.014 1 1 287 . 4 1 1 A 29 29 ASN C C 29 174.716 173.663 1.053 1 1 288 . 4 1 1 A 30 30 ASP N N 30 122.549 116.831 5.718 1 1 289 . 4 1 1 A 30 30 ASP H H 30 8.527 7.610 0.917 1 1 290 . 4 1 1 A 30 30 ASP CA C 30 56.167 52.766 3.401 1 1 291 . 4 1 1 A 30 30 ASP HA H 30 4.596 5.131 -0.535 1 1 292 . 4 1 1 A 30 30 ASP CB C 30 41.797 43.588 -1.791 1 1 295 . 4 1 1 A 30 30 ASP C C 30 175.177 174.803 0.374 1 1 296 . 4 1 1 A 31 31 ILE N N 31 119.187 123.262 -4.075 1 1 297 . 4 1 1 A 31 31 ILE H H 31 8.267 8.932 -0.665 1 1 298 . 4 1 1 A 31 31 ILE CA C 31 59.191 59.783 -0.592 1 1 299 . 4 1 1 A 31 31 ILE HA H 31 4.819 4.783 0.036 1 1 300 . 4 1 1 A 31 31 ILE CB C 31 36.702 38.520 -1.818 1 1 313 . 4 1 1 A 31 31 ILE C C 31 175.437 175.438 -0.001 1 1 314 . 4 1 1 A 32 32 ILE N N 32 129.566 128.679 0.887 1 1 315 . 4 1 1 A 32 32 ILE H H 32 9.247 8.998 0.249 1 1 316 . 4 1 1 A 32 32 ILE CA C 32 60.211 59.432 0.779 1 1 317 . 4 1 1 A 32 32 ILE HA H 32 4.140 4.869 -0.729 1 1 318 . 4 1 1 A 32 32 ILE CB C 32 41.978 40.309 1.669 1 1 331 . 4 1 1 A 32 32 ILE C C 32 176.197 175.521 0.676 1 1 332 . 4 1 1 A 33 33 THR N N 33 123.061 122.385 0.676 1 1 333 . 4 1 1 A 33 33 THR H H 33 8.741 8.706 0.035 1 1 334 . 4 1 1 A 33 33 THR CA C 33 63.117 63.121 -0.004 1 1 335 . 4 1 1 A 33 33 THR HA H 33 4.583 4.466 0.117 1 1 336 . 4 1 1 A 33 33 THR CB C 33 69.626 68.957 0.669 1 1 342 . 4 1 1 A 33 33 THR C C 33 174.011 174.447 -0.436 1 1 343 . 4 1 1 A 34 34 ILE N N 34 128.281 128.540 -0.259 1 1 344 . 4 1 1 A 34 34 ILE H H 34 9.110 8.897 0.213 1 1 345 . 4 1 1 A 34 34 ILE CA C 34 61.566 62.214 -0.648 1 1 346 . 4 1 1 A 34 34 ILE HA H 34 4.117 4.157 -0.040 1 1 347 . 4 1 1 A 34 34 ILE CB C 34 36.785 37.434 -0.649 1 1 360 . 4 1 1 A 34 34 ILE C C 34 175.420 175.542 -0.122 1 1 361 . 4 1 1 A 35 35 ILE N N 35 128.859 129.688 -0.829 1 1 362 . 4 1 1 A 35 35 ILE H H 35 9.359 9.445 -0.086 1 1 363 . 4 1 1 A 35 35 ILE CA C 35 60.949 62.816 -1.867 1 1 364 . 4 1 1 A 35 35 ILE HA H 35 4.224 4.101 0.123 1 1 365 . 4 1 1 A 35 35 ILE CB C 35 38.186 38.264 -0.078 1 1 378 . 4 1 1 A 35 35 ILE C C 35 176.253 175.992 0.261 1 1 379 . 4 1 1 A 36 36 SER N N 36 111.665 112.980 -1.315 1 1 380 . 4 1 1 A 36 36 SER H H 36 7.882 7.963 -0.081 1 1 381 . 4 1 1 A 36 36 SER CA C 36 57.605 56.485 1.120 1 1 382 . 4 1 1 A 36 36 SER HA H 36 4.525 4.689 -0.164 1 1 383 . 4 1 1 A 36 36 SER CB C 36 64.435 65.876 -1.441 1 1 386 . 4 1 1 A 36 36 SER C C 36 172.845 172.242 0.603 1 1 387 . 4 1 1 A 37 37 GLN N N 37 116.906 120.572 -3.666 1 1 388 . 4 1 1 A 37 37 GLN H H 37 8.055 8.494 -0.439 1 1 389 . 4 1 1 A 37 37 GLN CA C 37 54.718 54.081 0.637 1 1 390 . 4 1 1 A 37 37 GLN HA H 37 4.420 4.943 -0.523 1 1 391 . 4 1 1 A 37 37 GLN CB C 37 29.381 29.814 -0.433 1 1 400 . 4 1 1 A 37 37 GLN C C 37 175.080 175.895 -0.815 1 1 401 . 4 1 1 A 38 38 LYS N N 38 124.909 125.951 -1.042 1 1 402 . 4 1 1 A 38 38 LYS H H 38 8.046 8.689 -0.643 1 1 403 . 4 1 1 A 38 38 LYS CA C 38 58.998 58.614 0.384 1 1 404 . 4 1 1 A 38 38 LYS HA H 38 4.076 4.061 0.015 1 1 405 . 4 1 1 A 38 38 LYS CB C 38 33.116 33.009 0.107 1 1 417 . 4 1 1 A 38 38 LYS C C 38 176.508 176.730 -0.222 1 1 418 . 4 1 1 A 39 39 ASP N N 39 117.133 117.019 0.114 1 1 419 . 4 1 1 A 39 39 ASP H H 39 8.296 8.293 0.003 1 1 420 . 4 1 1 A 39 39 ASP CA C 39 53.294 52.614 0.680 1 1 421 . 4 1 1 A 39 39 ASP HA H 39 4.558 5.059 -0.501 1 1 422 . 4 1 1 A 39 39 ASP CB C 39 41.847 44.613 -2.766 1 1 425 . 4 1 1 A 39 39 ASP C C 39 175.201 175.960 -0.759 1 1 426 . 4 1 1 A 40 40 GLU N N 40 116.223 121.306 -5.083 1 1 427 . 4 1 1 A 40 40 GLU H H 40 8.564 8.670 -0.106 1 1 428 . 4 1 1 A 40 40 GLU CA C 40 58.748 58.748 0.000 1 1 429 . 4 1 1 A 40 40 GLU HA H 40 4.088 4.345 -0.257 1 1 430 . 4 1 1 A 40 40 GLU CB C 40 29.696 29.143 0.553 1 1 436 . 4 1 1 A 40 40 GLU C C 40 176.367 176.409 -0.042 1 1 437 . 4 1 1 A 41 41 HIS N N 41 114.612 114.790 -0.178 1 1 438 . 4 1 1 A 41 41 HIS H H 41 8.383 7.826 0.557 1 1 439 . 4 1 1 A 41 41 HIS CA C 41 56.873 56.930 -0.057 1 1 440 . 4 1 1 A 41 41 HIS HA H 41 4.613 4.285 0.328 1 1 441 . 4 1 1 A 41 41 HIS CB C 41 32.910 31.732 1.178 1 1 448 . 4 1 1 A 41 41 HIS C C 41 176.755 175.148 1.607 1 1 449 . 4 1 1 A 42 42 CYS N N 42 122.290 116.660 5.630 1 1 450 . 4 1 1 A 42 42 CYS H H 42 8.337 7.727 0.610 1 1 451 . 4 1 1 A 42 42 CYS CA C 42 58.168 58.353 -0.185 1 1 452 . 4 1 1 A 42 42 CYS HA H 42 4.885 4.420 0.465 1 1 453 . 4 1 1 A 42 42 CYS CB C 42 29.227 27.730 1.497 1 1 456 . 4 1 1 A 42 42 CYS C C 42 172.892 173.703 -0.811 1 1 457 . 4 1 1 A 43 43 TRP N N 43 127.114 128.009 -0.895 1 1 458 . 4 1 1 A 43 43 TRP H H 43 8.333 8.451 -0.118 1 1 459 . 4 1 1 A 43 43 TRP CA C 43 53.262 56.154 -2.892 1 1 460 . 4 1 1 A 43 43 TRP HA H 43 5.307 5.138 0.169 1 1 461 . 4 1 1 A 43 43 TRP CB C 43 33.323 31.643 1.680 1 1 476 . 4 1 1 A 43 43 TRP C C 43 173.064 174.992 -1.928 1 1 477 . 4 1 1 A 44 44 VAL N N 44 117.650 121.448 -3.798 1 1 478 . 4 1 1 A 44 44 VAL H H 44 8.591 8.877 -0.286 1 1 479 . 4 1 1 A 44 44 VAL CA C 44 61.801 61.071 0.730 1 1 480 . 4 1 1 A 44 44 VAL HA H 44 4.739 4.924 -0.185 1 1 481 . 4 1 1 A 44 44 VAL CB C 44 32.962 32.405 0.557 1 1 491 . 4 1 1 A 44 44 VAL C C 44 176.980 175.532 1.448 1 1 492 . 4 1 1 A 45 45 GLY N N 45 115.010 115.248 -0.238 1 1 493 . 4 1 1 A 45 45 GLY H H 45 9.469 8.852 0.617 1 1 494 . 4 1 1 A 45 45 GLY CA C 45 45.159 44.437 0.722 1 1 495 . 4 1 1 A 45 45 GLY HA2 H 45 3.769 4.366 -0.597 1 1 496 . 4 1 1 A 45 45 GLY HA3 H 45 5.478 4.542 0.936 1 1 497 . 4 1 1 A 45 45 GLY C C 45 170.022 172.291 -2.269 1 1 498 . 4 1 1 A 46 46 GLU N N 46 118.202 120.752 -2.550 1 1 499 . 4 1 1 A 46 46 GLU H H 46 9.072 9.194 -0.122 1 1 500 . 4 1 1 A 46 46 GLU CA C 46 54.226 55.422 -1.196 1 1 501 . 4 1 1 A 46 46 GLU HA H 46 5.720 5.511 0.209 1 1 502 . 4 1 1 A 46 46 GLU CB C 46 34.724 33.151 1.573 1 1 508 . 4 1 1 A 46 46 GLU C C 46 174.843 174.641 0.202 1 1 509 . 4 1 1 A 47 47 LEU N N 47 125.182 126.879 -1.697 1 1 510 . 4 1 1 A 47 47 LEU H H 47 8.880 8.984 -0.104 1 1 511 . 4 1 1 A 47 47 LEU CA C 47 55.064 54.296 0.768 1 1 512 . 4 1 1 A 47 47 LEU HA H 47 4.711 4.600 0.111 1 1 513 . 4 1 1 A 47 47 LEU CB C 47 45.900 45.023 0.877 1 1 526 . 4 1 1 A 47 47 LEU C C 47 176.130 175.448 0.682 1 1 527 . 4 1 1 A 48 48 ASN N N 48 127.515 125.848 1.667 1 1 528 . 4 1 1 A 48 48 ASN H H 48 9.796 9.406 0.390 1 1 529 . 4 1 1 A 48 48 ASN CA C 48 54.407 54.531 -0.124 1 1 530 . 4 1 1 A 48 48 ASN HA H 48 4.457 4.531 -0.074 1 1 531 . 4 1 1 A 48 48 ASN CB C 48 37.546 37.191 0.355 1 1 537 . 4 1 1 A 48 48 ASN C C 48 174.935 175.668 -0.733 1 1 538 . 4 1 1 A 49 49 GLY N N 49 104.068 104.312 -0.244 1 1 539 . 4 1 1 A 49 49 GLY H H 49 8.891 8.735 0.156 1 1 540 . 4 1 1 A 49 49 GLY CA C 49 45.471 45.911 -0.440 1 1 541 . 4 1 1 A 49 49 GLY HA2 H 49 3.621 3.900 -0.279 1 1 542 . 4 1 1 A 49 49 GLY HA3 H 49 4.230 3.903 0.327 1 1 543 . 4 1 1 A 49 49 GLY C C 49 173.671 173.868 -0.197 1 1 544 . 4 1 1 A 50 50 LEU N N 50 122.996 121.551 1.445 1 1 545 . 4 1 1 A 50 50 LEU H H 50 7.818 7.700 0.118 1 1 546 . 4 1 1 A 50 50 LEU CA C 50 53.971 53.806 0.165 1 1 547 . 4 1 1 A 50 50 LEU HA H 50 4.727 4.733 -0.006 1 1 548 . 4 1 1 A 50 50 LEU CB C 50 43.482 44.431 -0.949 1 1 561 . 4 1 1 A 50 50 LEU C C 50 174.930 175.042 -0.112 1 1 562 . 4 1 1 A 51 51 ARG N N 51 119.072 124.083 -5.011 1 1 563 . 4 1 1 A 51 51 ARG H H 51 8.410 9.016 -0.606 1 1 564 . 4 1 1 A 51 51 ARG CA C 51 54.020 54.629 -0.609 1 1 565 . 4 1 1 A 51 51 ARG HA H 51 5.843 5.473 0.370 1 1 566 . 4 1 1 A 51 51 ARG CB C 51 34.724 32.831 1.893 1 1 575 . 4 1 1 A 51 51 ARG C C 51 176.707 175.592 1.115 1 1 576 . 4 1 1 A 52 52 GLY N N 52 109.058 112.455 -3.397 1 1 577 . 4 1 1 A 52 52 GLY H H 52 8.661 8.266 0.395 1 1 578 . 4 1 1 A 52 52 GLY CA C 52 45.683 45.667 0.016 1 1 579 . 4 1 1 A 52 52 GLY HA2 H 52 3.975 4.486 -0.511 1 1 580 . 4 1 1 A 52 52 GLY HA3 H 52 4.248 4.497 -0.249 1 1 581 . 4 1 1 A 52 52 GLY C C 52 171.261 172.735 -1.474 1 1 582 . 4 1 1 A 53 53 TRP N N 53 119.558 117.552 2.006 1 1 583 . 4 1 1 A 53 53 TRP H H 53 8.825 8.517 0.308 1 1 584 . 4 1 1 A 53 53 TRP CA C 53 55.402 56.024 -0.622 1 1 585 . 4 1 1 A 53 53 TRP HA H 53 6.222 5.590 0.632 1 1 586 . 4 1 1 A 53 53 TRP CB C 53 31.856 31.963 -0.107 1 1 601 . 4 1 1 A 53 53 TRP C C 53 176.100 175.456 0.644 1 1 602 . 4 1 1 A 54 54 PHE N N 54 115.426 115.716 -0.290 1 1 603 . 4 1 1 A 54 54 PHE H H 54 8.976 8.443 0.533 1 1 604 . 4 1 1 A 54 54 PHE CA C 54 55.805 55.673 0.132 1 1 605 . 4 1 1 A 54 54 PHE HA H 54 4.833 4.666 0.167 1 1 606 . 4 1 1 A 54 54 PHE CB C 54 39.295 39.407 -0.112 1 1 619 . 4 1 1 A 54 54 PHE C C 54 171.898 171.994 -0.096 1 1 620 . 4 1 1 A 55 55 PRO CA C 55 61.963 62.619 -0.656 1 1 621 . 4 1 1 A 55 55 PRO HA H 55 4.654 4.652 0.002 1 1 622 . 4 1 1 A 55 55 PRO CB C 55 31.179 31.376 -0.197 1 1 631 . 4 1 1 A 55 55 PRO C C 55 177.168 177.720 -0.552 1 1 632 . 4 1 1 A 56 56 ALA N N 56 130.132 127.998 2.134 1 1 633 . 4 1 1 A 56 56 ALA H H 56 7.818 8.807 -0.989 1 1 634 . 4 1 1 A 56 56 ALA CA C 56 55.045 55.156 -0.111 1 1 635 . 4 1 1 A 56 56 ALA HA H 56 3.032 4.116 -1.084 1 1 636 . 4 1 1 A 56 56 ALA CB C 56 16.542 17.280 -0.738 1 1 640 . 4 1 1 A 56 56 ALA C C 56 178.595 179.504 -0.909 1 1 641 . 4 1 1 A 57 57 LYS N N 57 110.974 115.866 -4.892 1 1 642 . 4 1 1 A 57 57 LYS H H 57 8.024 8.108 -0.084 1 1 643 . 4 1 1 A 57 57 LYS CA C 57 57.118 58.886 -1.768 1 1 644 . 4 1 1 A 57 57 LYS HA H 57 4.213 4.035 0.178 1 1 645 . 4 1 1 A 57 57 LYS CB C 57 31.641 32.045 -0.404 1 1 657 . 4 1 1 A 57 57 LYS C C 57 177.053 178.420 -1.367 1 1 658 . 4 1 1 A 58 58 PHE N N 58 118.768 118.702 0.066 1 1 659 . 4 1 1 A 58 58 PHE H H 58 7.911 8.346 -0.435 1 1 660 . 4 1 1 A 58 58 PHE CA C 58 56.933 61.199 -4.266 1 1 661 . 4 1 1 A 58 58 PHE HA H 58 4.739 4.274 0.465 1 1 662 . 4 1 1 A 58 58 PHE CB C 58 38.643 38.713 -0.070 1 1 675 . 4 1 1 A 58 58 PHE C C 58 174.837 175.911 -1.074 1 1 676 . 4 1 1 A 59 59 VAL N N 59 109.843 113.396 -3.553 1 1 677 . 4 1 1 A 59 59 VAL H H 59 7.796 7.789 0.007 1 1 678 . 4 1 1 A 59 59 VAL CA C 59 58.332 59.506 -1.174 1 1 679 . 4 1 1 A 59 59 VAL HA H 59 5.333 4.768 0.565 1 1 680 . 4 1 1 A 59 59 VAL CB C 59 35.704 34.811 0.893 1 1 690 . 4 1 1 A 59 59 VAL C C 59 173.452 174.079 -0.627 1 1 691 . 4 1 1 A 60 60 GLU N N 60 119.932 120.714 -0.782 1 1 692 . 4 1 1 A 60 60 GLU H H 60 8.699 8.903 -0.204 1 1 693 . 4 1 1 A 60 60 GLU CA C 60 54.202 54.648 -0.446 1 1 694 . 4 1 1 A 60 60 GLU HA H 60 4.863 5.147 -0.284 1 1 695 . 4 1 1 A 60 60 GLU CB C 60 33.573 33.375 0.198 1 1 701 . 4 1 1 A 60 60 GLU C C 60 176.100 175.835 0.265 1 1 702 . 4 1 1 A 61 61 VAL N N 61 127.661 126.651 1.010 1 1 703 . 4 1 1 A 61 61 VAL H H 61 9.107 8.670 0.437 1 1 704 . 4 1 1 A 61 61 VAL CA C 61 64.612 62.411 2.201 1 1 705 . 4 1 1 A 61 61 VAL HA H 61 3.957 4.514 -0.557 1 1 706 . 4 1 1 A 61 61 VAL CB C 61 31.875 32.324 -0.449 1 1 716 . 4 1 1 A 61 61 VAL C C 61 176.294 175.116 1.178 1 1 717 . 4 1 1 A 62 62 LEU N N 62 128.512 125.502 3.010 1 1 718 . 4 1 1 A 62 62 LEU H H 62 8.777 8.694 0.083 1 1 719 . 4 1 1 A 62 62 LEU CA C 62 54.677 53.840 0.837 1 1 720 . 4 1 1 A 62 62 LEU HA H 62 4.456 4.831 -0.375 1 1 721 . 4 1 1 A 62 62 LEU CB C 62 42.548 44.607 -2.059 1 1 734 . 4 1 1 A 62 62 LEU C C 62 176.888 175.401 1.487 1 1 735 . 4 1 1 A 63 63 ASP N N 63 122.605 125.182 -2.577 1 1 736 . 4 1 1 A 63 63 ASP H H 63 8.588 8.940 -0.352 1 1 737 . 4 1 1 A 63 63 ASP CA C 63 53.971 54.498 -0.527 1 1 738 . 4 1 1 A 63 63 ASP HA H 63 4.643 4.639 0.004 1 1 739 . 4 1 1 A 63 63 ASP CB C 63 41.629 41.826 -0.197 1 1 742 . 4 1 1 A 63 63 ASP C C 63 176.460 175.621 0.839 1 1 743 . 4 1 1 A 64 64 GLU N N 64 122.614 122.375 0.239 1 1 744 . 4 1 1 A 64 64 GLU H H 64 8.634 9.102 -0.468 1 1 745 . 4 1 1 A 64 64 GLU CA C 64 57.086 56.927 0.159 1 1 746 . 4 1 1 A 64 64 GLU HA H 64 4.158 4.683 -0.525 1 1 747 . 4 1 1 A 64 64 GLU CB C 64 30.055 32.307 -2.252 1 1 753 . 4 1 1 A 64 64 GLU C C 64 176.801 176.099 0.702 1 1 754 . 4 1 1 A 65 65 ARG N N 65 120.526 118.673 1.853 1 1 755 . 4 1 1 A 65 65 ARG H H 65 8.416 7.683 0.733 1 1 756 . 4 1 1 A 65 65 ARG CA C 65 56.430 55.437 0.993 1 1 757 . 4 1 1 A 65 65 ARG HA H 65 4.323 4.798 -0.475 1 1 758 . 4 1 1 A 65 65 ARG CB C 65 30.493 31.194 -0.701 1 1 767 . 4 1 1 A 65 65 ARG C C 65 176.896 174.893 2.003 1 1 768 . 4 1 1 A 66 66 SER N N 66 116.214 117.825 -1.611 1 1 769 . 4 1 1 A 66 66 SER H H 66 8.225 8.743 -0.518 1 1 770 . 4 1 1 A 66 66 SER CA C 66 58.732 56.234 2.498 1 1 771 . 4 1 1 A 66 66 SER HA H 66 4.799 4.813 -0.014 1 1 772 . 4 1 1 A 66 66 SER CB C 66 63.879 65.849 -1.970 1 1 775 . 4 1 1 A 66 66 SER C C 66 175.225 172.994 2.231 1 1 776 . 4 1 1 A 67 67 LYS CA C 67 56.993 56.274 0.719 1 1 777 . 4 1 1 A 67 67 LYS HA H 67 4.270 4.188 0.082 1 1 778 . 4 1 1 A 67 67 LYS CB C 67 32.724 32.749 -0.025 1 1 790 . 4 1 1 A 68 68 GLU N N 68 120.561 122.266 -1.705 1 1 791 . 4 1 1 A 68 68 GLU H H 68 8.417 8.695 -0.278 1 1 792 . 4 1 1 A 68 68 GLU CA C 68 57.144 55.139 2.005 1 1 793 . 4 1 1 A 68 68 GLU HA H 68 4.193 4.772 -0.579 1 1 794 . 4 1 1 A 68 68 GLU CB C 68 30.025 31.242 -1.217 1 1 800 . 4 1 1 A 68 68 GLU C C 68 176.828 175.369 1.459 1 1 801 . 4 1 1 A 69 69 TYR N N 69 120.399 128.115 -7.716 1 1 802 . 4 1 1 A 69 69 TYR H H 69 8.027 9.095 -1.068 1 1 803 . 4 1 1 A 69 69 TYR CA C 69 58.296 57.540 0.756 1 1 804 . 4 1 1 A 69 69 TYR HA H 69 4.504 4.779 -0.275 1 1 805 . 4 1 1 A 69 69 TYR CB C 69 38.965 37.719 1.246 1 1 816 . 4 1 1 A 69 69 TYR C C 69 176.367 175.331 1.036 1 1 817 . 4 1 1 A 70 70 SER N N 70 117.031 121.025 -3.994 1 1 818 . 4 1 1 A 70 70 SER H H 70 8.067 8.683 -0.616 1 1 819 . 4 1 1 A 70 70 SER CA C 70 58.167 58.630 -0.463 1 1 820 . 4 1 1 A 70 70 SER HA H 70 4.441 4.598 -0.157 1 1 821 . 4 1 1 A 70 70 SER CB C 70 63.911 64.252 -0.341 1 1 824 . 4 1 1 A 70 70 SER C C 70 174.448 174.221 0.227 1 1 825 . 4 1 1 A 71 71 ILE N N 71 122.402 116.736 5.666 1 1 826 . 4 1 1 A 71 71 ILE H H 71 8.083 8.591 -0.508 1 1 827 . 4 1 1 A 71 71 ILE CA C 71 61.411 58.990 2.421 1 1 828 . 4 1 1 A 71 71 ILE HA H 71 4.161 5.104 -0.943 1 1 829 . 4 1 1 A 71 71 ILE CB C 71 38.779 42.364 -3.585 1 1 842 . 4 1 1 A 71 71 ILE C C 71 176.172 174.548 1.624 1 1 843 . 4 1 1 A 72 72 ALA N N 72 127.574 123.396 4.178 1 1 844 . 4 1 1 A 72 72 ALA H H 72 8.306 8.328 -0.022 1 1 845 . 4 1 1 A 72 72 ALA CA C 72 52.631 51.502 1.129 1 1 846 . 4 1 1 A 72 72 ALA HA H 72 4.366 4.796 -0.430 1 1 847 . 4 1 1 A 72 72 ALA CB C 72 19.242 22.754 -3.512 1 1 851 . 4 1 1 A 72 72 ALA C C 72 177.702 175.856 1.846 1 1 852 . 4 1 1 A 73 73 SER N N 73 115.199 117.851 -2.652 1 1 853 . 4 1 1 A 73 73 SER H H 73 8.223 8.552 -0.329 1 1 854 . 4 1 1 A 73 73 SER CA C 73 58.285 59.480 -1.195 1 1 855 . 4 1 1 A 73 73 SER HA H 73 4.471 4.421 0.050 1 1 856 . 4 1 1 A 73 73 SER CB C 73 64.233 63.084 1.149 1 1 859 . 4 1 1 A 73 73 SER C C 73 174.639 173.778 0.861 1 1 860 . 4 1 1 A 74 74 GLY N N 74 110.616 112.986 -2.370 1 1 861 . 4 1 1 A 74 74 GLY H H 74 8.185 8.278 -0.093 1 1 862 . 4 1 1 A 74 74 GLY CA C 74 44.677 45.388 -0.711 1 1 863 . 4 1 1 A 74 74 GLY HA2 H 74 4.171 4.204 -0.033 1 1 864 . 4 1 1 A 74 74 GLY HA3 H 74 4.107 4.206 -0.099 1 1 865 . 4 1 1 A 74 74 GLY C C 74 171.850 174.016 -2.166 1 1 866 . 4 1 1 A 75 75 PRO CA C 75 63.266 63.456 -0.190 1 1 867 . 4 1 1 A 75 75 PRO HA H 75 4.487 4.580 -0.093 1 1 868 . 4 1 1 A 75 75 PRO CB C 75 32.196 31.945 0.251 1 1 877 . 4 1 1 A 76 76 SER N N 76 116.439 117.177 -0.738 1 1 878 . 4 1 1 A 76 76 SER H H 76 8.562 7.764 0.798 1 1 879 . 4 1 1 A 76 76 SER CA C 76 58.747 60.515 -1.768 1 1 880 . 4 1 1 A 76 76 SER CB C 76 64.105 63.839 0.266 1 1 1 . 5 1 1 A 6 6 SER CA C 6 58.690 59.522 -0.832 1 1 2 . 5 1 1 A 6 6 SER HA H 6 4.411 4.326 0.085 1 1 3 . 5 1 1 A 7 7 GLY N N 7 110.826 113.766 -2.940 1 1 4 . 5 1 1 A 7 7 GLY H H 7 8.436 8.238 0.198 1 1 5 . 5 1 1 A 7 7 GLY CA C 7 45.315 45.955 -0.640 1 1 6 . 5 1 1 A 7 7 GLY HA2 H 7 4.029 4.146 -0.117 1 1 7 . 5 1 1 A 7 7 GLY HA3 H 7 3.918 4.157 -0.239 1 1 8 . 5 1 1 A 7 7 GLY C C 7 173.788 171.667 2.121 1 1 9 . 5 1 1 A 8 8 ARG N N 8 120.458 120.384 0.074 1 1 10 . 5 1 1 A 8 8 ARG H H 8 8.272 8.190 0.082 1 1 11 . 5 1 1 A 8 8 ARG CA C 8 55.715 54.145 1.570 1 1 12 . 5 1 1 A 8 8 ARG HA H 8 4.500 5.093 -0.593 1 1 13 . 5 1 1 A 8 8 ARG CB C 8 31.541 33.528 -1.987 1 1 22 . 5 1 1 A 8 8 ARG C C 8 175.201 175.027 0.174 1 1 23 . 5 1 1 A 9 9 ARG N N 9 121.537 119.809 1.728 1 1 24 . 5 1 1 A 9 9 ARG H H 9 8.879 8.542 0.337 1 1 25 . 5 1 1 A 9 9 ARG CA C 9 54.737 54.350 0.387 1 1 26 . 5 1 1 A 9 9 ARG HA H 9 5.288 5.365 -0.077 1 1 27 . 5 1 1 A 9 9 ARG CB C 9 34.064 33.934 0.130 1 1 36 . 5 1 1 A 9 9 ARG C C 9 174.910 174.318 0.592 1 1 37 . 5 1 1 A 10 10 ALA N N 10 122.000 124.997 -2.997 1 1 38 . 5 1 1 A 10 10 ALA H H 10 9.200 9.116 0.084 1 1 39 . 5 1 1 A 10 10 ALA CA C 10 50.229 49.979 0.250 1 1 40 . 5 1 1 A 10 10 ALA HA H 10 5.143 5.626 -0.483 1 1 41 . 5 1 1 A 10 10 ALA CB C 10 23.552 22.535 1.017 1 1 45 . 5 1 1 A 10 10 ALA C C 10 173.920 175.006 -1.086 1 1 46 . 5 1 1 A 11 11 LYS N N 11 121.984 122.197 -0.213 1 1 47 . 5 1 1 A 11 11 LYS H H 11 8.962 8.963 -0.001 1 1 48 . 5 1 1 A 11 11 LYS CA C 11 53.936 54.713 -0.777 1 1 49 . 5 1 1 A 11 11 LYS HA H 11 5.043 5.068 -0.025 1 1 50 . 5 1 1 A 11 11 LYS CB C 11 35.705 35.002 0.703 1 1 62 . 5 1 1 A 11 11 LYS C C 11 176.193 176.169 0.024 1 1 63 . 5 1 1 A 12 12 ALA N N 12 128.384 128.736 -0.352 1 1 64 . 5 1 1 A 12 12 ALA H H 12 8.974 8.965 0.009 1 1 65 . 5 1 1 A 12 12 ALA CA C 12 52.878 52.544 0.334 1 1 66 . 5 1 1 A 12 12 ALA HA H 12 4.271 4.422 -0.151 1 1 67 . 5 1 1 A 12 12 ALA CB C 12 21.024 18.863 2.161 1 1 71 . 5 1 1 A 12 12 ALA C C 12 179.524 177.197 2.327 1 1 72 . 5 1 1 A 13 13 LEU N N 13 126.125 124.904 1.221 1 1 73 . 5 1 1 A 13 13 LEU H H 13 9.490 9.009 0.481 1 1 74 . 5 1 1 A 13 13 LEU CA C 13 55.697 55.651 0.046 1 1 75 . 5 1 1 A 13 13 LEU HA H 13 4.258 4.364 -0.106 1 1 76 . 5 1 1 A 13 13 LEU CB C 13 43.073 42.923 0.150 1 1 89 . 5 1 1 A 13 13 LEU C C 13 175.705 176.819 -1.114 1 1 90 . 5 1 1 A 14 14 LEU N N 14 116.229 114.403 1.826 1 1 91 . 5 1 1 A 14 14 LEU H H 14 7.638 7.673 -0.035 1 1 92 . 5 1 1 A 14 14 LEU CA C 14 53.715 53.775 -0.060 1 1 93 . 5 1 1 A 14 14 LEU HA H 14 4.436 4.656 -0.220 1 1 94 . 5 1 1 A 14 14 LEU CB C 14 45.286 43.441 1.845 1 1 107 . 5 1 1 A 14 14 LEU C C 14 173.987 175.307 -1.320 1 1 108 . 5 1 1 A 15 15 ASP N N 15 116.528 120.038 -3.510 1 1 109 . 5 1 1 A 15 15 ASP H H 15 8.047 8.584 -0.537 1 1 110 . 5 1 1 A 15 15 ASP CA C 15 54.712 53.988 0.724 1 1 111 . 5 1 1 A 15 15 ASP HA H 15 4.628 4.859 -0.231 1 1 112 . 5 1 1 A 15 15 ASP CB C 15 41.437 41.346 0.091 1 1 115 . 5 1 1 A 16 16 PHE N N 16 123.405 123.140 0.265 1 1 116 . 5 1 1 A 16 16 PHE H H 16 8.414 8.881 -0.467 1 1 117 . 5 1 1 A 16 16 PHE CA C 16 56.555 56.391 0.164 1 1 118 . 5 1 1 A 16 16 PHE HA H 16 4.576 4.947 -0.371 1 1 119 . 5 1 1 A 16 16 PHE CB C 16 41.647 41.597 0.050 1 1 132 . 5 1 1 A 17 17 GLU N N 17 127.173 125.966 1.207 1 1 133 . 5 1 1 A 17 17 GLU H H 17 7.775 7.992 -0.217 1 1 134 . 5 1 1 A 17 17 GLU CA C 17 54.469 54.450 0.019 1 1 135 . 5 1 1 A 17 17 GLU HA H 17 4.025 4.255 -0.230 1 1 136 . 5 1 1 A 17 17 GLU CB C 17 30.119 29.677 0.442 1 1 142 . 5 1 1 A 17 17 GLU C C 17 174.327 175.016 -0.689 1 1 143 . 5 1 1 A 18 18 ARG N N 18 123.112 124.549 -1.437 1 1 144 . 5 1 1 A 18 18 ARG H H 18 7.721 8.041 -0.320 1 1 145 . 5 1 1 A 18 18 ARG CA C 18 55.738 55.993 -0.255 1 1 146 . 5 1 1 A 18 18 ARG HA H 18 3.665 3.565 0.100 1 1 147 . 5 1 1 A 18 18 ARG CB C 18 30.846 30.344 0.502 1 1 156 . 5 1 1 A 18 18 ARG C C 18 175.954 176.214 -0.260 1 1 157 . 5 1 1 A 19 19 HIS N N 19 121.992 121.924 0.068 1 1 158 . 5 1 1 A 19 19 HIS H H 19 9.200 8.468 0.732 1 1 159 . 5 1 1 A 19 19 HIS CA C 19 56.774 55.054 1.720 1 1 160 . 5 1 1 A 19 19 HIS HA H 19 4.612 4.668 -0.056 1 1 161 . 5 1 1 A 19 19 HIS CB C 19 30.061 29.034 1.027 1 1 168 . 5 1 1 A 19 19 HIS C C 19 174.151 174.145 0.006 1 1 169 . 5 1 1 A 20 20 ASP N N 20 119.946 118.964 0.982 1 1 170 . 5 1 1 A 20 20 ASP H H 20 8.160 7.609 0.551 1 1 171 . 5 1 1 A 20 20 ASP CA C 20 53.371 53.927 -0.556 1 1 172 . 5 1 1 A 20 20 ASP HA H 20 4.785 4.767 0.018 1 1 173 . 5 1 1 A 20 20 ASP CB C 20 43.492 44.061 -0.569 1 1 176 . 5 1 1 A 20 20 ASP C C 20 176.571 175.555 1.016 1 1 177 . 5 1 1 A 21 21 ASP N N 21 119.329 126.062 -6.733 1 1 178 . 5 1 1 A 21 21 ASP H H 21 8.686 9.054 -0.368 1 1 179 . 5 1 1 A 21 21 ASP CA C 21 56.641 57.630 -0.989 1 1 180 . 5 1 1 A 21 21 ASP HA H 21 4.439 4.268 0.171 1 1 181 . 5 1 1 A 21 21 ASP CB C 21 40.977 40.811 0.166 1 1 184 . 5 1 1 A 21 21 ASP C C 21 176.619 177.436 -0.817 1 1 185 . 5 1 1 A 22 22 ASP N N 22 116.501 117.128 -0.627 1 1 186 . 5 1 1 A 22 22 ASP H H 22 8.702 7.844 0.858 1 1 187 . 5 1 1 A 22 22 ASP CA C 22 54.535 56.132 -1.597 1 1 188 . 5 1 1 A 22 22 ASP HA H 22 4.769 4.703 0.066 1 1 189 . 5 1 1 A 22 22 ASP CB C 22 40.833 41.276 -0.443 1 1 192 . 5 1 1 A 22 22 ASP C C 22 176.139 177.262 -1.123 1 1 193 . 5 1 1 A 23 23 GLU N N 23 119.696 118.588 1.108 1 1 194 . 5 1 1 A 23 23 GLU H H 23 7.540 8.035 -0.495 1 1 195 . 5 1 1 A 23 23 GLU CA C 23 55.398 57.384 -1.986 1 1 196 . 5 1 1 A 23 23 GLU HA H 23 4.519 3.915 0.604 1 1 197 . 5 1 1 A 23 23 GLU CB C 23 32.584 29.892 2.692 1 1 203 . 5 1 1 A 23 23 GLU C C 23 175.760 175.837 -0.077 1 1 204 . 5 1 1 A 24 24 LEU N N 24 125.257 126.048 -0.791 1 1 205 . 5 1 1 A 24 24 LEU H H 24 8.766 8.793 -0.027 1 1 206 . 5 1 1 A 24 24 LEU CA C 24 53.525 53.957 -0.432 1 1 207 . 5 1 1 A 24 24 LEU HA H 24 4.410 4.978 -0.568 1 1 208 . 5 1 1 A 24 24 LEU CB C 24 44.685 43.828 0.857 1 1 221 . 5 1 1 A 24 24 LEU C C 24 173.987 176.064 -2.077 1 1 222 . 5 1 1 A 25 25 GLY N N 25 107.345 114.043 -6.698 1 1 223 . 5 1 1 A 25 25 GLY H H 25 7.584 8.978 -1.394 1 1 224 . 5 1 1 A 25 25 GLY CA C 25 44.096 44.439 -0.343 1 1 225 . 5 1 1 A 25 25 GLY HA2 H 25 3.361 3.917 -0.556 1 1 226 . 5 1 1 A 25 25 GLY HA3 H 25 4.260 3.945 0.315 1 1 227 . 5 1 1 A 25 25 GLY C C 25 173.720 172.880 0.840 1 1 228 . 5 1 1 A 26 26 PHE N N 26 114.043 115.676 -1.633 1 1 229 . 5 1 1 A 26 26 PHE H H 26 8.330 8.262 0.068 1 1 230 . 5 1 1 A 26 26 PHE CA C 26 56.440 56.452 -0.012 1 1 231 . 5 1 1 A 26 26 PHE HA H 26 4.749 5.103 -0.354 1 1 232 . 5 1 1 A 26 26 PHE CB C 26 40.494 40.756 -0.262 1 1 245 . 5 1 1 A 26 26 PHE C C 26 174.820 172.496 2.324 1 1 246 . 5 1 1 A 27 27 ARG N N 27 120.928 119.292 1.636 1 1 247 . 5 1 1 A 27 27 ARG H H 27 9.597 8.605 0.992 1 1 248 . 5 1 1 A 27 27 ARG CA C 27 53.054 53.986 -0.932 1 1 249 . 5 1 1 A 27 27 ARG HA H 27 4.974 4.927 0.047 1 1 250 . 5 1 1 A 27 27 ARG CB C 27 32.687 33.291 -0.604 1 1 259 . 5 1 1 A 27 27 ARG C C 27 175.511 175.424 0.087 1 1 260 . 5 1 1 A 28 28 LYS N N 28 120.682 122.318 -1.636 1 1 261 . 5 1 1 A 28 28 LYS H H 28 8.922 8.612 0.310 1 1 262 . 5 1 1 A 28 28 LYS CA C 28 59.064 57.494 1.570 1 1 263 . 5 1 1 A 28 28 LYS HA H 28 3.220 4.066 -0.846 1 1 264 . 5 1 1 A 28 28 LYS CB C 28 32.826 32.598 0.228 1 1 276 . 5 1 1 A 28 28 LYS C C 28 177.019 177.327 -0.308 1 1 277 . 5 1 1 A 29 29 ASN N N 29 117.470 118.845 -1.375 1 1 278 . 5 1 1 A 29 29 ASN H H 29 8.728 9.413 -0.685 1 1 279 . 5 1 1 A 29 29 ASN CA C 29 56.477 54.288 2.189 1 1 280 . 5 1 1 A 29 29 ASN HA H 29 4.148 4.298 -0.150 1 1 281 . 5 1 1 A 29 29 ASN CB C 29 37.170 37.447 -0.277 1 1 287 . 5 1 1 A 29 29 ASN C C 29 174.716 173.654 1.062 1 1 288 . 5 1 1 A 30 30 ASP N N 30 122.549 116.901 5.648 1 1 289 . 5 1 1 A 30 30 ASP H H 30 8.527 7.799 0.728 1 1 290 . 5 1 1 A 30 30 ASP CA C 30 56.167 52.749 3.418 1 1 291 . 5 1 1 A 30 30 ASP HA H 30 4.596 5.144 -0.548 1 1 292 . 5 1 1 A 30 30 ASP CB C 30 41.797 42.908 -1.111 1 1 295 . 5 1 1 A 30 30 ASP C C 30 175.177 175.146 0.031 1 1 296 . 5 1 1 A 31 31 ILE N N 31 119.187 123.167 -3.980 1 1 297 . 5 1 1 A 31 31 ILE H H 31 8.267 8.729 -0.462 1 1 298 . 5 1 1 A 31 31 ILE CA C 31 59.191 60.455 -1.264 1 1 299 . 5 1 1 A 31 31 ILE HA H 31 4.819 4.788 0.031 1 1 300 . 5 1 1 A 31 31 ILE CB C 31 36.702 38.904 -2.202 1 1 313 . 5 1 1 A 31 31 ILE C C 31 175.437 175.378 0.059 1 1 314 . 5 1 1 A 32 32 ILE N N 32 129.566 127.957 1.609 1 1 315 . 5 1 1 A 32 32 ILE H H 32 9.247 9.112 0.135 1 1 316 . 5 1 1 A 32 32 ILE CA C 32 60.211 59.486 0.725 1 1 317 . 5 1 1 A 32 32 ILE HA H 32 4.140 4.784 -0.644 1 1 318 . 5 1 1 A 32 32 ILE CB C 32 41.978 41.164 0.814 1 1 331 . 5 1 1 A 32 32 ILE C C 32 176.197 175.143 1.054 1 1 332 . 5 1 1 A 33 33 THR N N 33 123.061 122.427 0.634 1 1 333 . 5 1 1 A 33 33 THR H H 33 8.741 8.406 0.335 1 1 334 . 5 1 1 A 33 33 THR CA C 33 63.117 63.030 0.087 1 1 335 . 5 1 1 A 33 33 THR HA H 33 4.583 4.525 0.058 1 1 336 . 5 1 1 A 33 33 THR CB C 33 69.626 69.236 0.390 1 1 342 . 5 1 1 A 33 33 THR C C 33 174.011 174.016 -0.005 1 1 343 . 5 1 1 A 34 34 ILE N N 34 128.281 126.471 1.810 1 1 344 . 5 1 1 A 34 34 ILE H H 34 9.110 9.094 0.016 1 1 345 . 5 1 1 A 34 34 ILE CA C 34 61.566 60.622 0.944 1 1 346 . 5 1 1 A 34 34 ILE HA H 34 4.117 4.413 -0.296 1 1 347 . 5 1 1 A 34 34 ILE CB C 34 36.785 37.646 -0.861 1 1 360 . 5 1 1 A 34 34 ILE C C 34 175.420 175.481 -0.061 1 1 361 . 5 1 1 A 35 35 ILE N N 35 128.859 129.667 -0.808 1 1 362 . 5 1 1 A 35 35 ILE H H 35 9.359 9.188 0.171 1 1 363 . 5 1 1 A 35 35 ILE CA C 35 60.949 62.855 -1.906 1 1 364 . 5 1 1 A 35 35 ILE HA H 35 4.224 4.068 0.156 1 1 365 . 5 1 1 A 35 35 ILE CB C 35 38.186 38.355 -0.169 1 1 378 . 5 1 1 A 35 35 ILE C C 35 176.253 175.882 0.371 1 1 379 . 5 1 1 A 36 36 SER N N 36 111.665 112.834 -1.169 1 1 380 . 5 1 1 A 36 36 SER H H 36 7.882 7.825 0.057 1 1 381 . 5 1 1 A 36 36 SER CA C 36 57.605 56.555 1.050 1 1 382 . 5 1 1 A 36 36 SER HA H 36 4.525 4.654 -0.129 1 1 383 . 5 1 1 A 36 36 SER CB C 36 64.435 65.618 -1.183 1 1 386 . 5 1 1 A 36 36 SER C C 36 172.845 172.335 0.510 1 1 387 . 5 1 1 A 37 37 GLN N N 37 116.906 120.841 -3.935 1 1 388 . 5 1 1 A 37 37 GLN H H 37 8.055 8.567 -0.512 1 1 389 . 5 1 1 A 37 37 GLN CA C 37 54.718 54.229 0.489 1 1 390 . 5 1 1 A 37 37 GLN HA H 37 4.420 4.917 -0.497 1 1 391 . 5 1 1 A 37 37 GLN CB C 37 29.381 29.287 0.094 1 1 400 . 5 1 1 A 37 37 GLN C C 37 175.080 175.935 -0.855 1 1 401 . 5 1 1 A 38 38 LYS N N 38 124.909 125.414 -0.505 1 1 402 . 5 1 1 A 38 38 LYS H H 38 8.046 8.510 -0.464 1 1 403 . 5 1 1 A 38 38 LYS CA C 38 58.998 59.121 -0.123 1 1 404 . 5 1 1 A 38 38 LYS HA H 38 4.076 4.051 0.025 1 1 405 . 5 1 1 A 38 38 LYS CB C 38 33.116 32.899 0.217 1 1 417 . 5 1 1 A 38 38 LYS C C 38 176.508 176.820 -0.312 1 1 418 . 5 1 1 A 39 39 ASP N N 39 117.133 117.548 -0.415 1 1 419 . 5 1 1 A 39 39 ASP H H 39 8.296 8.421 -0.125 1 1 420 . 5 1 1 A 39 39 ASP CA C 39 53.294 53.128 0.166 1 1 421 . 5 1 1 A 39 39 ASP HA H 39 4.558 5.038 -0.480 1 1 422 . 5 1 1 A 39 39 ASP CB C 39 41.847 43.637 -1.790 1 1 425 . 5 1 1 A 39 39 ASP C C 39 175.201 176.615 -1.414 1 1 426 . 5 1 1 A 40 40 GLU N N 40 116.223 123.723 -7.500 1 1 427 . 5 1 1 A 40 40 GLU H H 40 8.564 9.251 -0.687 1 1 428 . 5 1 1 A 40 40 GLU CA C 40 58.748 60.273 -1.525 1 1 429 . 5 1 1 A 40 40 GLU HA H 40 4.088 4.335 -0.247 1 1 430 . 5 1 1 A 40 40 GLU CB C 40 29.696 29.411 0.285 1 1 436 . 5 1 1 A 40 40 GLU C C 40 176.367 178.196 -1.829 1 1 437 . 5 1 1 A 41 41 HIS N N 41 114.612 115.010 -0.398 1 1 438 . 5 1 1 A 41 41 HIS H H 41 8.383 7.866 0.517 1 1 439 . 5 1 1 A 41 41 HIS CA C 41 56.873 57.725 -0.852 1 1 440 . 5 1 1 A 41 41 HIS HA H 41 4.613 4.253 0.360 1 1 441 . 5 1 1 A 41 41 HIS CB C 41 32.910 30.976 1.934 1 1 448 . 5 1 1 A 41 41 HIS C C 41 176.755 174.922 1.833 1 1 449 . 5 1 1 A 42 42 CYS N N 42 122.290 117.307 4.983 1 1 450 . 5 1 1 A 42 42 CYS H H 42 8.337 7.601 0.736 1 1 451 . 5 1 1 A 42 42 CYS CA C 42 58.168 57.501 0.667 1 1 452 . 5 1 1 A 42 42 CYS HA H 42 4.885 4.765 0.120 1 1 453 . 5 1 1 A 42 42 CYS CB C 42 29.227 28.601 0.626 1 1 456 . 5 1 1 A 42 42 CYS C C 42 172.892 174.248 -1.356 1 1 457 . 5 1 1 A 43 43 TRP N N 43 127.114 124.771 2.343 1 1 458 . 5 1 1 A 43 43 TRP H H 43 8.333 8.790 -0.457 1 1 459 . 5 1 1 A 43 43 TRP CA C 43 53.262 55.786 -2.524 1 1 460 . 5 1 1 A 43 43 TRP HA H 43 5.307 5.255 0.052 1 1 461 . 5 1 1 A 43 43 TRP CB C 43 33.323 32.230 1.093 1 1 476 . 5 1 1 A 43 43 TRP C C 43 173.064 175.086 -2.022 1 1 477 . 5 1 1 A 44 44 VAL N N 44 117.650 121.155 -3.505 1 1 478 . 5 1 1 A 44 44 VAL H H 44 8.591 9.055 -0.464 1 1 479 . 5 1 1 A 44 44 VAL CA C 44 61.801 60.987 0.814 1 1 480 . 5 1 1 A 44 44 VAL HA H 44 4.739 4.930 -0.191 1 1 481 . 5 1 1 A 44 44 VAL CB C 44 32.962 33.242 -0.280 1 1 491 . 5 1 1 A 44 44 VAL C C 44 176.980 175.306 1.674 1 1 492 . 5 1 1 A 45 45 GLY N N 45 115.010 115.191 -0.181 1 1 493 . 5 1 1 A 45 45 GLY H H 45 9.469 8.719 0.750 1 1 494 . 5 1 1 A 45 45 GLY CA C 45 45.159 44.636 0.523 1 1 495 . 5 1 1 A 45 45 GLY HA2 H 45 3.769 4.330 -0.561 1 1 496 . 5 1 1 A 45 45 GLY HA3 H 45 5.478 4.533 0.945 1 1 497 . 5 1 1 A 45 45 GLY C C 45 170.022 172.612 -2.590 1 1 498 . 5 1 1 A 46 46 GLU N N 46 118.202 120.353 -2.151 1 1 499 . 5 1 1 A 46 46 GLU H H 46 9.072 9.107 -0.035 1 1 500 . 5 1 1 A 46 46 GLU CA C 46 54.226 55.580 -1.354 1 1 501 . 5 1 1 A 46 46 GLU HA H 46 5.720 5.485 0.235 1 1 502 . 5 1 1 A 46 46 GLU CB C 46 34.724 32.778 1.946 1 1 508 . 5 1 1 A 46 46 GLU C C 46 174.843 174.582 0.261 1 1 509 . 5 1 1 A 47 47 LEU N N 47 125.182 126.571 -1.389 1 1 510 . 5 1 1 A 47 47 LEU H H 47 8.880 8.909 -0.029 1 1 511 . 5 1 1 A 47 47 LEU CA C 47 55.064 53.858 1.206 1 1 512 . 5 1 1 A 47 47 LEU HA H 47 4.711 4.594 0.117 1 1 513 . 5 1 1 A 47 47 LEU CB C 47 45.900 45.208 0.692 1 1 526 . 5 1 1 A 47 47 LEU C C 47 176.130 175.221 0.909 1 1 527 . 5 1 1 A 48 48 ASN N N 48 127.515 124.573 2.942 1 1 528 . 5 1 1 A 48 48 ASN H H 48 9.796 9.326 0.470 1 1 529 . 5 1 1 A 48 48 ASN CA C 48 54.407 54.465 -0.058 1 1 530 . 5 1 1 A 48 48 ASN HA H 48 4.457 4.459 -0.002 1 1 531 . 5 1 1 A 48 48 ASN CB C 48 37.546 37.306 0.240 1 1 537 . 5 1 1 A 48 48 ASN C C 48 174.935 175.527 -0.592 1 1 538 . 5 1 1 A 49 49 GLY N N 49 104.068 104.030 0.038 1 1 539 . 5 1 1 A 49 49 GLY H H 49 8.891 8.670 0.221 1 1 540 . 5 1 1 A 49 49 GLY CA C 49 45.471 46.252 -0.781 1 1 541 . 5 1 1 A 49 49 GLY HA2 H 49 3.621 3.938 -0.317 1 1 542 . 5 1 1 A 49 49 GLY HA3 H 49 4.230 3.941 0.289 1 1 543 . 5 1 1 A 49 49 GLY C C 49 173.671 173.938 -0.267 1 1 544 . 5 1 1 A 50 50 LEU N N 50 122.996 120.696 2.300 1 1 545 . 5 1 1 A 50 50 LEU H H 50 7.818 8.076 -0.258 1 1 546 . 5 1 1 A 50 50 LEU CA C 50 53.971 54.026 -0.055 1 1 547 . 5 1 1 A 50 50 LEU HA H 50 4.727 4.701 0.026 1 1 548 . 5 1 1 A 50 50 LEU CB C 50 43.482 44.954 -1.472 1 1 561 . 5 1 1 A 50 50 LEU C C 50 174.930 174.702 0.228 1 1 562 . 5 1 1 A 51 51 ARG N N 51 119.072 125.367 -6.295 1 1 563 . 5 1 1 A 51 51 ARG H H 51 8.410 9.024 -0.614 1 1 564 . 5 1 1 A 51 51 ARG CA C 51 54.020 54.438 -0.418 1 1 565 . 5 1 1 A 51 51 ARG HA H 51 5.843 5.173 0.670 1 1 566 . 5 1 1 A 51 51 ARG CB C 51 34.724 32.170 2.554 1 1 575 . 5 1 1 A 51 51 ARG C C 51 176.707 175.564 1.143 1 1 576 . 5 1 1 A 52 52 GLY N N 52 109.058 112.322 -3.264 1 1 577 . 5 1 1 A 52 52 GLY H H 52 8.661 8.720 -0.059 1 1 578 . 5 1 1 A 52 52 GLY CA C 52 45.683 45.652 0.031 1 1 579 . 5 1 1 A 52 52 GLY HA2 H 52 3.975 4.443 -0.468 1 1 580 . 5 1 1 A 52 52 GLY HA3 H 52 4.248 4.461 -0.213 1 1 581 . 5 1 1 A 52 52 GLY C C 52 171.261 172.783 -1.522 1 1 582 . 5 1 1 A 53 53 TRP N N 53 119.558 118.325 1.233 1 1 583 . 5 1 1 A 53 53 TRP H H 53 8.825 8.913 -0.088 1 1 584 . 5 1 1 A 53 53 TRP CA C 53 55.402 54.830 0.572 1 1 585 . 5 1 1 A 53 53 TRP HA H 53 6.222 5.803 0.419 1 1 586 . 5 1 1 A 53 53 TRP CB C 53 31.856 32.763 -0.907 1 1 601 . 5 1 1 A 53 53 TRP C C 53 176.100 174.752 1.348 1 1 602 . 5 1 1 A 54 54 PHE N N 54 115.426 115.757 -0.331 1 1 603 . 5 1 1 A 54 54 PHE H H 54 8.976 8.732 0.244 1 1 604 . 5 1 1 A 54 54 PHE CA C 54 55.805 55.685 0.120 1 1 605 . 5 1 1 A 54 54 PHE HA H 54 4.833 4.371 0.462 1 1 606 . 5 1 1 A 54 54 PHE CB C 54 39.295 39.449 -0.154 1 1 619 . 5 1 1 A 54 54 PHE C C 54 171.898 171.986 -0.088 1 1 620 . 5 1 1 A 55 55 PRO CA C 55 61.963 62.793 -0.830 1 1 621 . 5 1 1 A 55 55 PRO HA H 55 4.654 4.859 -0.205 1 1 622 . 5 1 1 A 55 55 PRO CB C 55 31.179 31.646 -0.467 1 1 631 . 5 1 1 A 55 55 PRO C C 55 177.168 177.930 -0.762 1 1 632 . 5 1 1 A 56 56 ALA N N 56 130.132 128.325 1.807 1 1 633 . 5 1 1 A 56 56 ALA H H 56 7.818 8.585 -0.767 1 1 634 . 5 1 1 A 56 56 ALA CA C 56 55.045 55.087 -0.042 1 1 635 . 5 1 1 A 56 56 ALA HA H 56 3.032 4.090 -1.058 1 1 636 . 5 1 1 A 56 56 ALA CB C 56 16.542 17.022 -0.480 1 1 640 . 5 1 1 A 56 56 ALA C C 56 178.595 179.737 -1.142 1 1 641 . 5 1 1 A 57 57 LYS N N 57 110.974 115.956 -4.982 1 1 642 . 5 1 1 A 57 57 LYS H H 57 8.024 7.991 0.033 1 1 643 . 5 1 1 A 57 57 LYS CA C 57 57.118 58.770 -1.652 1 1 644 . 5 1 1 A 57 57 LYS HA H 57 4.213 4.037 0.176 1 1 645 . 5 1 1 A 57 57 LYS CB C 57 31.641 31.927 -0.286 1 1 657 . 5 1 1 A 57 57 LYS C C 57 177.053 178.299 -1.246 1 1 658 . 5 1 1 A 58 58 PHE N N 58 118.768 118.132 0.636 1 1 659 . 5 1 1 A 58 58 PHE H H 58 7.911 8.050 -0.139 1 1 660 . 5 1 1 A 58 58 PHE CA C 58 56.933 61.170 -4.237 1 1 661 . 5 1 1 A 58 58 PHE HA H 58 4.739 4.274 0.465 1 1 662 . 5 1 1 A 58 58 PHE CB C 58 38.643 39.279 -0.636 1 1 675 . 5 1 1 A 58 58 PHE C C 58 174.837 175.909 -1.072 1 1 676 . 5 1 1 A 59 59 VAL N N 59 109.843 113.827 -3.984 1 1 677 . 5 1 1 A 59 59 VAL H H 59 7.796 7.451 0.345 1 1 678 . 5 1 1 A 59 59 VAL CA C 59 58.332 59.493 -1.161 1 1 679 . 5 1 1 A 59 59 VAL HA H 59 5.333 4.839 0.494 1 1 680 . 5 1 1 A 59 59 VAL CB C 59 35.704 34.563 1.141 1 1 690 . 5 1 1 A 59 59 VAL C C 59 173.452 174.049 -0.597 1 1 691 . 5 1 1 A 60 60 GLU N N 60 119.932 121.041 -1.109 1 1 692 . 5 1 1 A 60 60 GLU H H 60 8.699 9.055 -0.356 1 1 693 . 5 1 1 A 60 60 GLU CA C 60 54.202 54.645 -0.443 1 1 694 . 5 1 1 A 60 60 GLU HA H 60 4.863 5.184 -0.321 1 1 695 . 5 1 1 A 60 60 GLU CB C 60 33.573 33.220 0.353 1 1 701 . 5 1 1 A 60 60 GLU C C 60 176.100 175.938 0.162 1 1 702 . 5 1 1 A 61 61 VAL N N 61 127.661 126.778 0.883 1 1 703 . 5 1 1 A 61 61 VAL H H 61 9.107 8.737 0.370 1 1 704 . 5 1 1 A 61 61 VAL CA C 61 64.612 63.132 1.480 1 1 705 . 5 1 1 A 61 61 VAL HA H 61 3.957 4.363 -0.406 1 1 706 . 5 1 1 A 61 61 VAL CB C 61 31.875 32.375 -0.500 1 1 716 . 5 1 1 A 61 61 VAL C C 61 176.294 175.549 0.745 1 1 717 . 5 1 1 A 62 62 LEU N N 62 128.512 125.291 3.221 1 1 718 . 5 1 1 A 62 62 LEU H H 62 8.777 8.265 0.512 1 1 719 . 5 1 1 A 62 62 LEU CA C 62 54.677 53.213 1.464 1 1 720 . 5 1 1 A 62 62 LEU HA H 62 4.456 5.149 -0.693 1 1 721 . 5 1 1 A 62 62 LEU CB C 62 42.548 45.826 -3.278 1 1 734 . 5 1 1 A 62 62 LEU C C 62 176.888 174.957 1.931 1 1 735 . 5 1 1 A 63 63 ASP N N 63 122.605 125.273 -2.668 1 1 736 . 5 1 1 A 63 63 ASP H H 63 8.588 8.921 -0.333 1 1 737 . 5 1 1 A 63 63 ASP CA C 63 53.971 52.753 1.218 1 1 738 . 5 1 1 A 63 63 ASP HA H 63 4.643 5.243 -0.600 1 1 739 . 5 1 1 A 63 63 ASP CB C 63 41.629 42.145 -0.516 1 1 742 . 5 1 1 A 63 63 ASP C C 63 176.460 174.752 1.708 1 1 743 . 5 1 1 A 64 64 GLU N N 64 122.614 125.733 -3.119 1 1 744 . 5 1 1 A 64 64 GLU H H 64 8.634 8.675 -0.041 1 1 745 . 5 1 1 A 64 64 GLU CA C 64 57.086 55.284 1.802 1 1 746 . 5 1 1 A 64 64 GLU HA H 64 4.158 4.615 -0.457 1 1 747 . 5 1 1 A 64 64 GLU CB C 64 30.055 31.971 -1.916 1 1 753 . 5 1 1 A 64 64 GLU C C 64 176.801 176.038 0.763 1 1 754 . 5 1 1 A 65 65 ARG N N 65 120.526 118.473 2.053 1 1 755 . 5 1 1 A 65 65 ARG H H 65 8.416 8.857 -0.441 1 1 756 . 5 1 1 A 65 65 ARG CA C 65 56.430 56.817 -0.387 1 1 757 . 5 1 1 A 65 65 ARG HA H 65 4.323 3.893 0.430 1 1 758 . 5 1 1 A 65 65 ARG CB C 65 30.493 27.289 3.204 1 1 767 . 5 1 1 A 65 65 ARG C C 65 176.896 175.887 1.009 1 1 768 . 5 1 1 A 66 66 SER N N 66 116.214 112.818 3.396 1 1 769 . 5 1 1 A 66 66 SER H H 66 8.225 7.985 0.240 1 1 770 . 5 1 1 A 66 66 SER CA C 66 58.732 61.269 -2.537 1 1 771 . 5 1 1 A 66 66 SER HA H 66 4.799 4.400 0.399 1 1 772 . 5 1 1 A 66 66 SER CB C 66 63.879 63.394 0.485 1 1 775 . 5 1 1 A 66 66 SER C C 66 175.225 173.692 1.533 1 1 776 . 5 1 1 A 67 67 LYS CA C 67 56.993 54.805 2.188 1 1 777 . 5 1 1 A 67 67 LYS HA H 67 4.270 4.954 -0.684 1 1 778 . 5 1 1 A 67 67 LYS CB C 67 32.724 36.057 -3.333 1 1 790 . 5 1 1 A 68 68 GLU N N 68 120.561 123.895 -3.334 1 1 791 . 5 1 1 A 68 68 GLU H H 68 8.417 9.060 -0.643 1 1 792 . 5 1 1 A 68 68 GLU CA C 68 57.144 54.742 2.402 1 1 793 . 5 1 1 A 68 68 GLU HA H 68 4.193 5.224 -1.031 1 1 794 . 5 1 1 A 68 68 GLU CB C 68 30.025 33.583 -3.558 1 1 800 . 5 1 1 A 68 68 GLU C C 68 176.828 174.715 2.113 1 1 801 . 5 1 1 A 69 69 TYR N N 69 120.399 120.537 -0.138 1 1 802 . 5 1 1 A 69 69 TYR H H 69 8.027 9.169 -1.142 1 1 803 . 5 1 1 A 69 69 TYR CA C 69 58.296 56.441 1.855 1 1 804 . 5 1 1 A 69 69 TYR HA H 69 4.504 5.063 -0.559 1 1 805 . 5 1 1 A 69 69 TYR CB C 69 38.965 40.315 -1.350 1 1 816 . 5 1 1 A 69 69 TYR C C 69 176.367 175.636 0.731 1 1 817 . 5 1 1 A 70 70 SER N N 70 117.031 119.444 -2.413 1 1 818 . 5 1 1 A 70 70 SER H H 70 8.067 8.759 -0.692 1 1 819 . 5 1 1 A 70 70 SER CA C 70 58.167 58.402 -0.235 1 1 820 . 5 1 1 A 70 70 SER HA H 70 4.441 4.540 -0.099 1 1 821 . 5 1 1 A 70 70 SER CB C 70 63.911 63.365 0.546 1 1 824 . 5 1 1 A 70 70 SER C C 70 174.448 174.731 -0.283 1 1 825 . 5 1 1 A 71 71 ILE N N 71 122.402 124.529 -2.127 1 1 826 . 5 1 1 A 71 71 ILE H H 71 8.083 8.742 -0.659 1 1 827 . 5 1 1 A 71 71 ILE CA C 71 61.411 59.911 1.500 1 1 828 . 5 1 1 A 71 71 ILE HA H 71 4.161 4.941 -0.780 1 1 829 . 5 1 1 A 71 71 ILE CB C 71 38.779 41.743 -2.964 1 1 842 . 5 1 1 A 71 71 ILE C C 71 176.172 175.199 0.973 1 1 843 . 5 1 1 A 72 72 ALA N N 72 127.574 129.443 -1.869 1 1 844 . 5 1 1 A 72 72 ALA H H 72 8.306 9.106 -0.800 1 1 845 . 5 1 1 A 72 72 ALA CA C 72 52.631 49.883 2.748 1 1 846 . 5 1 1 A 72 72 ALA HA H 72 4.366 5.181 -0.815 1 1 847 . 5 1 1 A 72 72 ALA CB C 72 19.242 23.289 -4.047 1 1 851 . 5 1 1 A 72 72 ALA C C 72 177.702 175.221 2.481 1 1 852 . 5 1 1 A 73 73 SER N N 73 115.199 115.309 -0.110 1 1 853 . 5 1 1 A 73 73 SER H H 73 8.223 8.863 -0.640 1 1 854 . 5 1 1 A 73 73 SER CA C 73 58.285 56.621 1.664 1 1 855 . 5 1 1 A 73 73 SER HA H 73 4.471 4.863 -0.392 1 1 856 . 5 1 1 A 73 73 SER CB C 73 64.233 64.213 0.020 1 1 859 . 5 1 1 A 73 73 SER C C 73 174.639 174.104 0.535 1 1 860 . 5 1 1 A 74 74 GLY N N 74 110.616 114.373 -3.757 1 1 861 . 5 1 1 A 74 74 GLY H H 74 8.185 8.308 -0.123 1 1 862 . 5 1 1 A 74 74 GLY CA C 74 44.677 45.660 -0.983 1 1 863 . 5 1 1 A 74 74 GLY HA2 H 74 4.171 4.055 0.116 1 1 864 . 5 1 1 A 74 74 GLY HA3 H 74 4.107 4.055 0.052 1 1 865 . 5 1 1 A 74 74 GLY C C 74 171.850 174.086 -2.236 1 1 866 . 5 1 1 A 75 75 PRO CA C 75 63.266 62.388 0.878 1 1 867 . 5 1 1 A 75 75 PRO HA H 75 4.487 4.712 -0.225 1 1 868 . 5 1 1 A 75 75 PRO CB C 75 32.196 29.881 2.315 1 1 877 . 5 1 1 A 76 76 SER N N 76 116.439 115.103 1.336 1 1 878 . 5 1 1 A 76 76 SER H H 76 8.562 7.956 0.606 1 1 879 . 5 1 1 A 76 76 SER CA C 76 58.747 57.359 1.388 1 1 880 . 5 1 1 A 76 76 SER CB C 76 64.105 65.657 -1.552 1 1 1 . 6 1 1 A 6 6 SER CA C 6 58.690 57.274 1.416 1 1 2 . 6 1 1 A 6 6 SER HA H 6 4.411 4.905 -0.494 1 1 3 . 6 1 1 A 7 7 GLY N N 7 110.826 110.589 0.237 1 1 4 . 6 1 1 A 7 7 GLY H H 7 8.436 8.783 -0.347 1 1 5 . 6 1 1 A 7 7 GLY CA C 7 45.315 45.232 0.083 1 1 6 . 6 1 1 A 7 7 GLY HA2 H 7 4.029 3.969 0.060 1 1 7 . 6 1 1 A 7 7 GLY HA3 H 7 3.918 3.979 -0.061 1 1 8 . 6 1 1 A 7 7 GLY C C 7 173.788 172.261 1.527 1 1 9 . 6 1 1 A 8 8 ARG N N 8 120.458 123.369 -2.911 1 1 10 . 6 1 1 A 8 8 ARG H H 8 8.272 8.661 -0.389 1 1 11 . 6 1 1 A 8 8 ARG CA C 8 55.715 54.012 1.703 1 1 12 . 6 1 1 A 8 8 ARG HA H 8 4.500 5.054 -0.554 1 1 13 . 6 1 1 A 8 8 ARG CB C 8 31.541 33.874 -2.333 1 1 22 . 6 1 1 A 8 8 ARG C C 8 175.201 174.452 0.749 1 1 23 . 6 1 1 A 9 9 ARG N N 9 121.537 122.050 -0.513 1 1 24 . 6 1 1 A 9 9 ARG H H 9 8.879 8.538 0.341 1 1 25 . 6 1 1 A 9 9 ARG CA C 9 54.737 54.258 0.479 1 1 26 . 6 1 1 A 9 9 ARG HA H 9 5.288 5.181 0.107 1 1 27 . 6 1 1 A 9 9 ARG CB C 9 34.064 33.933 0.131 1 1 36 . 6 1 1 A 9 9 ARG C C 9 174.910 174.332 0.578 1 1 37 . 6 1 1 A 10 10 ALA N N 10 122.000 125.137 -3.137 1 1 38 . 6 1 1 A 10 10 ALA H H 10 9.200 8.824 0.376 1 1 39 . 6 1 1 A 10 10 ALA CA C 10 50.229 50.050 0.179 1 1 40 . 6 1 1 A 10 10 ALA HA H 10 5.143 5.772 -0.629 1 1 41 . 6 1 1 A 10 10 ALA CB C 10 23.552 22.635 0.917 1 1 45 . 6 1 1 A 10 10 ALA C C 10 173.920 175.079 -1.159 1 1 46 . 6 1 1 A 11 11 LYS N N 11 121.984 122.321 -0.337 1 1 47 . 6 1 1 A 11 11 LYS H H 11 8.962 9.005 -0.043 1 1 48 . 6 1 1 A 11 11 LYS CA C 11 53.936 54.843 -0.907 1 1 49 . 6 1 1 A 11 11 LYS HA H 11 5.043 4.862 0.181 1 1 50 . 6 1 1 A 11 11 LYS CB C 11 35.705 34.617 1.088 1 1 62 . 6 1 1 A 11 11 LYS C C 11 176.193 175.983 0.210 1 1 63 . 6 1 1 A 12 12 ALA N N 12 128.384 128.996 -0.612 1 1 64 . 6 1 1 A 12 12 ALA H H 12 8.974 8.787 0.187 1 1 65 . 6 1 1 A 12 12 ALA CA C 12 52.878 52.142 0.736 1 1 66 . 6 1 1 A 12 12 ALA HA H 12 4.271 4.355 -0.084 1 1 67 . 6 1 1 A 12 12 ALA CB C 12 21.024 18.328 2.696 1 1 71 . 6 1 1 A 12 12 ALA C C 12 179.524 178.145 1.379 1 1 72 . 6 1 1 A 13 13 LEU N N 13 126.125 126.878 -0.753 1 1 73 . 6 1 1 A 13 13 LEU H H 13 9.490 8.405 1.085 1 1 74 . 6 1 1 A 13 13 LEU CA C 13 55.697 56.568 -0.871 1 1 75 . 6 1 1 A 13 13 LEU HA H 13 4.258 4.165 0.093 1 1 76 . 6 1 1 A 13 13 LEU CB C 13 43.073 42.822 0.251 1 1 89 . 6 1 1 A 13 13 LEU C C 13 175.705 176.823 -1.118 1 1 90 . 6 1 1 A 14 14 LEU N N 14 116.229 113.934 2.295 1 1 91 . 6 1 1 A 14 14 LEU H H 14 7.638 7.629 0.009 1 1 92 . 6 1 1 A 14 14 LEU CA C 14 53.715 53.800 -0.085 1 1 93 . 6 1 1 A 14 14 LEU HA H 14 4.436 4.761 -0.325 1 1 94 . 6 1 1 A 14 14 LEU CB C 14 45.286 44.601 0.685 1 1 107 . 6 1 1 A 14 14 LEU C C 14 173.987 174.648 -0.661 1 1 108 . 6 1 1 A 15 15 ASP N N 15 116.528 121.789 -5.261 1 1 109 . 6 1 1 A 15 15 ASP H H 15 8.047 8.670 -0.623 1 1 110 . 6 1 1 A 15 15 ASP CA C 15 54.712 53.776 0.936 1 1 111 . 6 1 1 A 15 15 ASP HA H 15 4.628 5.101 -0.473 1 1 112 . 6 1 1 A 15 15 ASP CB C 15 41.437 42.420 -0.983 1 1 115 . 6 1 1 A 16 16 PHE N N 16 123.405 126.464 -3.059 1 1 116 . 6 1 1 A 16 16 PHE H H 16 8.414 8.497 -0.083 1 1 117 . 6 1 1 A 16 16 PHE CA C 16 56.555 55.899 0.656 1 1 118 . 6 1 1 A 16 16 PHE HA H 16 4.576 5.137 -0.561 1 1 119 . 6 1 1 A 16 16 PHE CB C 16 41.647 42.005 -0.358 1 1 132 . 6 1 1 A 17 17 GLU N N 17 127.173 125.206 1.967 1 1 133 . 6 1 1 A 17 17 GLU H H 17 7.775 7.980 -0.205 1 1 134 . 6 1 1 A 17 17 GLU CA C 17 54.469 54.793 -0.324 1 1 135 . 6 1 1 A 17 17 GLU HA H 17 4.025 4.305 -0.280 1 1 136 . 6 1 1 A 17 17 GLU CB C 17 30.119 30.037 0.082 1 1 142 . 6 1 1 A 17 17 GLU C C 17 174.327 175.609 -1.282 1 1 143 . 6 1 1 A 18 18 ARG N N 18 123.112 125.401 -2.289 1 1 144 . 6 1 1 A 18 18 ARG H H 18 7.721 8.130 -0.409 1 1 145 . 6 1 1 A 18 18 ARG CA C 18 55.738 56.121 -0.383 1 1 146 . 6 1 1 A 18 18 ARG HA H 18 3.665 3.817 -0.152 1 1 147 . 6 1 1 A 18 18 ARG CB C 18 30.846 30.616 0.230 1 1 156 . 6 1 1 A 18 18 ARG C C 18 175.954 176.510 -0.556 1 1 157 . 6 1 1 A 19 19 HIS N N 19 121.992 120.889 1.103 1 1 158 . 6 1 1 A 19 19 HIS H H 19 9.200 8.650 0.550 1 1 159 . 6 1 1 A 19 19 HIS CA C 19 56.774 58.590 -1.816 1 1 160 . 6 1 1 A 19 19 HIS HA H 19 4.612 4.322 0.290 1 1 161 . 6 1 1 A 19 19 HIS CB C 19 30.061 30.824 -0.763 1 1 168 . 6 1 1 A 19 19 HIS C C 19 174.151 174.913 -0.762 1 1 169 . 6 1 1 A 20 20 ASP N N 20 119.946 117.007 2.939 1 1 170 . 6 1 1 A 20 20 ASP H H 20 8.160 8.189 -0.029 1 1 171 . 6 1 1 A 20 20 ASP CA C 20 53.371 53.527 -0.156 1 1 172 . 6 1 1 A 20 20 ASP HA H 20 4.785 4.744 0.041 1 1 173 . 6 1 1 A 20 20 ASP CB C 20 43.492 41.629 1.863 1 1 176 . 6 1 1 A 20 20 ASP C C 20 176.571 176.718 -0.147 1 1 177 . 6 1 1 A 21 21 ASP N N 21 119.329 121.458 -2.129 1 1 178 . 6 1 1 A 21 21 ASP H H 21 8.686 8.943 -0.257 1 1 179 . 6 1 1 A 21 21 ASP CA C 21 56.641 57.187 -0.546 1 1 180 . 6 1 1 A 21 21 ASP HA H 21 4.439 4.270 0.169 1 1 181 . 6 1 1 A 21 21 ASP CB C 21 40.977 40.384 0.593 1 1 184 . 6 1 1 A 21 21 ASP C C 21 176.619 178.159 -1.540 1 1 185 . 6 1 1 A 22 22 ASP N N 22 116.501 118.708 -2.207 1 1 186 . 6 1 1 A 22 22 ASP H H 22 8.702 8.371 0.331 1 1 187 . 6 1 1 A 22 22 ASP CA C 22 54.535 57.059 -2.524 1 1 188 . 6 1 1 A 22 22 ASP HA H 22 4.769 4.570 0.199 1 1 189 . 6 1 1 A 22 22 ASP CB C 22 40.833 41.292 -0.459 1 1 192 . 6 1 1 A 22 22 ASP C C 22 176.139 176.981 -0.842 1 1 193 . 6 1 1 A 23 23 GLU N N 23 119.696 119.053 0.643 1 1 194 . 6 1 1 A 23 23 GLU H H 23 7.540 8.073 -0.533 1 1 195 . 6 1 1 A 23 23 GLU CA C 23 55.398 56.210 -0.812 1 1 196 . 6 1 1 A 23 23 GLU HA H 23 4.519 4.041 0.478 1 1 197 . 6 1 1 A 23 23 GLU CB C 23 32.584 30.135 2.449 1 1 203 . 6 1 1 A 23 23 GLU C C 23 175.760 175.697 0.063 1 1 204 . 6 1 1 A 24 24 LEU N N 24 125.257 126.833 -1.576 1 1 205 . 6 1 1 A 24 24 LEU H H 24 8.766 9.052 -0.286 1 1 206 . 6 1 1 A 24 24 LEU CA C 24 53.525 53.915 -0.390 1 1 207 . 6 1 1 A 24 24 LEU HA H 24 4.410 4.952 -0.542 1 1 208 . 6 1 1 A 24 24 LEU CB C 24 44.685 44.097 0.588 1 1 221 . 6 1 1 A 24 24 LEU C C 24 173.987 176.080 -2.093 1 1 222 . 6 1 1 A 25 25 GLY N N 25 107.345 114.211 -6.866 1 1 223 . 6 1 1 A 25 25 GLY H H 25 7.584 8.906 -1.322 1 1 224 . 6 1 1 A 25 25 GLY CA C 25 44.096 44.888 -0.792 1 1 225 . 6 1 1 A 25 25 GLY HA2 H 25 3.361 3.810 -0.449 1 1 226 . 6 1 1 A 25 25 GLY HA3 H 25 4.260 3.881 0.379 1 1 227 . 6 1 1 A 25 25 GLY C C 25 173.720 172.724 0.996 1 1 228 . 6 1 1 A 26 26 PHE N N 26 114.043 115.744 -1.701 1 1 229 . 6 1 1 A 26 26 PHE H H 26 8.330 7.864 0.466 1 1 230 . 6 1 1 A 26 26 PHE CA C 26 56.440 56.281 0.159 1 1 231 . 6 1 1 A 26 26 PHE HA H 26 4.749 5.155 -0.406 1 1 232 . 6 1 1 A 26 26 PHE CB C 26 40.494 41.097 -0.603 1 1 245 . 6 1 1 A 26 26 PHE C C 26 174.820 172.462 2.358 1 1 246 . 6 1 1 A 27 27 ARG N N 27 120.928 118.892 2.036 1 1 247 . 6 1 1 A 27 27 ARG H H 27 9.597 8.659 0.938 1 1 248 . 6 1 1 A 27 27 ARG CA C 27 53.054 54.020 -0.966 1 1 249 . 6 1 1 A 27 27 ARG HA H 27 4.974 4.988 -0.014 1 1 250 . 6 1 1 A 27 27 ARG CB C 27 32.687 33.607 -0.920 1 1 259 . 6 1 1 A 27 27 ARG C C 27 175.511 175.446 0.065 1 1 260 . 6 1 1 A 28 28 LYS N N 28 120.682 122.409 -1.727 1 1 261 . 6 1 1 A 28 28 LYS H H 28 8.922 8.617 0.305 1 1 262 . 6 1 1 A 28 28 LYS CA C 28 59.064 57.969 1.095 1 1 263 . 6 1 1 A 28 28 LYS HA H 28 3.220 4.021 -0.801 1 1 264 . 6 1 1 A 28 28 LYS CB C 28 32.826 32.418 0.408 1 1 276 . 6 1 1 A 28 28 LYS C C 28 177.019 177.276 -0.257 1 1 277 . 6 1 1 A 29 29 ASN N N 29 117.470 118.825 -1.355 1 1 278 . 6 1 1 A 29 29 ASN H H 29 8.728 9.457 -0.729 1 1 279 . 6 1 1 A 29 29 ASN CA C 29 56.477 54.315 2.162 1 1 280 . 6 1 1 A 29 29 ASN HA H 29 4.148 4.318 -0.170 1 1 281 . 6 1 1 A 29 29 ASN CB C 29 37.170 37.227 -0.057 1 1 287 . 6 1 1 A 29 29 ASN C C 29 174.716 173.681 1.035 1 1 288 . 6 1 1 A 30 30 ASP N N 30 122.549 116.879 5.670 1 1 289 . 6 1 1 A 30 30 ASP H H 30 8.527 7.784 0.743 1 1 290 . 6 1 1 A 30 30 ASP CA C 30 56.167 52.804 3.363 1 1 291 . 6 1 1 A 30 30 ASP HA H 30 4.596 5.088 -0.492 1 1 292 . 6 1 1 A 30 30 ASP CB C 30 41.797 43.229 -1.432 1 1 295 . 6 1 1 A 30 30 ASP C C 30 175.177 175.335 -0.158 1 1 296 . 6 1 1 A 31 31 ILE N N 31 119.187 123.804 -4.617 1 1 297 . 6 1 1 A 31 31 ILE H H 31 8.267 8.681 -0.414 1 1 298 . 6 1 1 A 31 31 ILE CA C 31 59.191 60.562 -1.371 1 1 299 . 6 1 1 A 31 31 ILE HA H 31 4.819 4.538 0.281 1 1 300 . 6 1 1 A 31 31 ILE CB C 31 36.702 38.025 -1.323 1 1 313 . 6 1 1 A 31 31 ILE C C 31 175.437 175.251 0.186 1 1 314 . 6 1 1 A 32 32 ILE N N 32 129.566 128.050 1.516 1 1 315 . 6 1 1 A 32 32 ILE H H 32 9.247 8.878 0.369 1 1 316 . 6 1 1 A 32 32 ILE CA C 32 60.211 59.326 0.885 1 1 317 . 6 1 1 A 32 32 ILE HA H 32 4.140 4.791 -0.651 1 1 318 . 6 1 1 A 32 32 ILE CB C 32 41.978 40.594 1.384 1 1 331 . 6 1 1 A 32 32 ILE C C 32 176.197 175.183 1.014 1 1 332 . 6 1 1 A 33 33 THR N N 33 123.061 121.923 1.138 1 1 333 . 6 1 1 A 33 33 THR H H 33 8.741 8.390 0.351 1 1 334 . 6 1 1 A 33 33 THR CA C 33 63.117 63.219 -0.102 1 1 335 . 6 1 1 A 33 33 THR HA H 33 4.583 4.427 0.156 1 1 336 . 6 1 1 A 33 33 THR CB C 33 69.626 69.105 0.521 1 1 342 . 6 1 1 A 33 33 THR C C 33 174.011 174.053 -0.042 1 1 343 . 6 1 1 A 34 34 ILE N N 34 128.281 126.964 1.317 1 1 344 . 6 1 1 A 34 34 ILE H H 34 9.110 9.006 0.104 1 1 345 . 6 1 1 A 34 34 ILE CA C 34 61.566 60.830 0.736 1 1 346 . 6 1 1 A 34 34 ILE HA H 34 4.117 4.447 -0.330 1 1 347 . 6 1 1 A 34 34 ILE CB C 34 36.785 37.467 -0.682 1 1 360 . 6 1 1 A 34 34 ILE C C 34 175.420 175.464 -0.044 1 1 361 . 6 1 1 A 35 35 ILE N N 35 128.859 129.892 -1.033 1 1 362 . 6 1 1 A 35 35 ILE H H 35 9.359 8.936 0.423 1 1 363 . 6 1 1 A 35 35 ILE CA C 35 60.949 63.003 -2.054 1 1 364 . 6 1 1 A 35 35 ILE HA H 35 4.224 4.077 0.147 1 1 365 . 6 1 1 A 35 35 ILE CB C 35 38.186 38.419 -0.233 1 1 378 . 6 1 1 A 35 35 ILE C C 35 176.253 176.008 0.245 1 1 379 . 6 1 1 A 36 36 SER N N 36 111.665 113.165 -1.500 1 1 380 . 6 1 1 A 36 36 SER H H 36 7.882 7.868 0.014 1 1 381 . 6 1 1 A 36 36 SER CA C 36 57.605 56.627 0.978 1 1 382 . 6 1 1 A 36 36 SER HA H 36 4.525 4.831 -0.306 1 1 383 . 6 1 1 A 36 36 SER CB C 36 64.435 66.066 -1.631 1 1 386 . 6 1 1 A 36 36 SER C C 36 172.845 172.376 0.469 1 1 387 . 6 1 1 A 37 37 GLN N N 37 116.906 121.825 -4.919 1 1 388 . 6 1 1 A 37 37 GLN H H 37 8.055 8.544 -0.489 1 1 389 . 6 1 1 A 37 37 GLN CA C 37 54.718 54.104 0.614 1 1 390 . 6 1 1 A 37 37 GLN HA H 37 4.420 4.822 -0.402 1 1 391 . 6 1 1 A 37 37 GLN CB C 37 29.381 28.991 0.390 1 1 400 . 6 1 1 A 37 37 GLN C C 37 175.080 175.850 -0.770 1 1 401 . 6 1 1 A 38 38 LYS N N 38 124.909 125.607 -0.698 1 1 402 . 6 1 1 A 38 38 LYS H H 38 8.046 8.476 -0.430 1 1 403 . 6 1 1 A 38 38 LYS CA C 38 58.998 59.452 -0.454 1 1 404 . 6 1 1 A 38 38 LYS HA H 38 4.076 4.019 0.057 1 1 405 . 6 1 1 A 38 38 LYS CB C 38 33.116 32.788 0.328 1 1 417 . 6 1 1 A 38 38 LYS C C 38 176.508 176.891 -0.383 1 1 418 . 6 1 1 A 39 39 ASP N N 39 117.133 117.841 -0.708 1 1 419 . 6 1 1 A 39 39 ASP H H 39 8.296 8.310 -0.014 1 1 420 . 6 1 1 A 39 39 ASP CA C 39 53.294 52.968 0.326 1 1 421 . 6 1 1 A 39 39 ASP HA H 39 4.558 5.070 -0.512 1 1 422 . 6 1 1 A 39 39 ASP CB C 39 41.847 43.451 -1.604 1 1 425 . 6 1 1 A 39 39 ASP C C 39 175.201 176.835 -1.634 1 1 426 . 6 1 1 A 40 40 GLU N N 40 116.223 123.528 -7.305 1 1 427 . 6 1 1 A 40 40 GLU H H 40 8.564 9.233 -0.669 1 1 428 . 6 1 1 A 40 40 GLU CA C 40 58.748 59.964 -1.216 1 1 429 . 6 1 1 A 40 40 GLU HA H 40 4.088 4.438 -0.350 1 1 430 . 6 1 1 A 40 40 GLU CB C 40 29.696 29.405 0.291 1 1 436 . 6 1 1 A 40 40 GLU C C 40 176.367 178.115 -1.748 1 1 437 . 6 1 1 A 41 41 HIS N N 41 114.612 114.636 -0.024 1 1 438 . 6 1 1 A 41 41 HIS H H 41 8.383 7.849 0.534 1 1 439 . 6 1 1 A 41 41 HIS CA C 41 56.873 58.065 -1.192 1 1 440 . 6 1 1 A 41 41 HIS HA H 41 4.613 4.243 0.370 1 1 441 . 6 1 1 A 41 41 HIS CB C 41 32.910 31.126 1.784 1 1 448 . 6 1 1 A 41 41 HIS C C 41 176.755 175.334 1.421 1 1 449 . 6 1 1 A 42 42 CYS N N 42 122.290 116.735 5.555 1 1 450 . 6 1 1 A 42 42 CYS H H 42 8.337 7.736 0.601 1 1 451 . 6 1 1 A 42 42 CYS CA C 42 58.168 57.804 0.364 1 1 452 . 6 1 1 A 42 42 CYS HA H 42 4.885 4.499 0.386 1 1 453 . 6 1 1 A 42 42 CYS CB C 42 29.227 28.093 1.134 1 1 456 . 6 1 1 A 42 42 CYS C C 42 172.892 174.416 -1.524 1 1 457 . 6 1 1 A 43 43 TRP N N 43 127.114 125.222 1.892 1 1 458 . 6 1 1 A 43 43 TRP H H 43 8.333 8.610 -0.277 1 1 459 . 6 1 1 A 43 43 TRP CA C 43 53.262 55.636 -2.374 1 1 460 . 6 1 1 A 43 43 TRP HA H 43 5.307 5.237 0.070 1 1 461 . 6 1 1 A 43 43 TRP CB C 43 33.323 32.094 1.229 1 1 476 . 6 1 1 A 43 43 TRP C C 43 173.064 175.190 -2.126 1 1 477 . 6 1 1 A 44 44 VAL N N 44 117.650 121.188 -3.538 1 1 478 . 6 1 1 A 44 44 VAL H H 44 8.591 9.041 -0.450 1 1 479 . 6 1 1 A 44 44 VAL CA C 44 61.801 61.067 0.734 1 1 480 . 6 1 1 A 44 44 VAL HA H 44 4.739 5.061 -0.322 1 1 481 . 6 1 1 A 44 44 VAL CB C 44 32.962 33.678 -0.716 1 1 491 . 6 1 1 A 44 44 VAL C C 44 176.980 175.509 1.471 1 1 492 . 6 1 1 A 45 45 GLY N N 45 115.010 115.112 -0.102 1 1 493 . 6 1 1 A 45 45 GLY H H 45 9.469 8.820 0.649 1 1 494 . 6 1 1 A 45 45 GLY CA C 45 45.159 44.708 0.451 1 1 495 . 6 1 1 A 45 45 GLY HA2 H 45 3.769 4.387 -0.618 1 1 496 . 6 1 1 A 45 45 GLY HA3 H 45 5.478 4.533 0.945 1 1 497 . 6 1 1 A 45 45 GLY C C 45 170.022 172.678 -2.656 1 1 498 . 6 1 1 A 46 46 GLU N N 46 118.202 120.512 -2.310 1 1 499 . 6 1 1 A 46 46 GLU H H 46 9.072 9.081 -0.009 1 1 500 . 6 1 1 A 46 46 GLU CA C 46 54.226 55.392 -1.166 1 1 501 . 6 1 1 A 46 46 GLU HA H 46 5.720 5.454 0.266 1 1 502 . 6 1 1 A 46 46 GLU CB C 46 34.724 32.724 2.000 1 1 508 . 6 1 1 A 46 46 GLU C C 46 174.843 174.660 0.183 1 1 509 . 6 1 1 A 47 47 LEU N N 47 125.182 126.729 -1.547 1 1 510 . 6 1 1 A 47 47 LEU H H 47 8.880 8.640 0.240 1 1 511 . 6 1 1 A 47 47 LEU CA C 47 55.064 53.919 1.145 1 1 512 . 6 1 1 A 47 47 LEU HA H 47 4.711 4.592 0.119 1 1 513 . 6 1 1 A 47 47 LEU CB C 47 45.900 45.142 0.758 1 1 526 . 6 1 1 A 47 47 LEU C C 47 176.130 175.286 0.844 1 1 527 . 6 1 1 A 48 48 ASN N N 48 127.515 124.735 2.780 1 1 528 . 6 1 1 A 48 48 ASN H H 48 9.796 9.333 0.463 1 1 529 . 6 1 1 A 48 48 ASN CA C 48 54.407 54.503 -0.096 1 1 530 . 6 1 1 A 48 48 ASN HA H 48 4.457 4.475 -0.018 1 1 531 . 6 1 1 A 48 48 ASN CB C 48 37.546 37.281 0.265 1 1 537 . 6 1 1 A 48 48 ASN C C 48 174.935 175.634 -0.699 1 1 538 . 6 1 1 A 49 49 GLY N N 49 104.068 104.713 -0.645 1 1 539 . 6 1 1 A 49 49 GLY H H 49 8.891 8.751 0.140 1 1 540 . 6 1 1 A 49 49 GLY CA C 49 45.471 46.054 -0.583 1 1 541 . 6 1 1 A 49 49 GLY HA2 H 49 3.621 3.933 -0.312 1 1 542 . 6 1 1 A 49 49 GLY HA3 H 49 4.230 3.936 0.294 1 1 543 . 6 1 1 A 49 49 GLY C C 49 173.671 173.820 -0.149 1 1 544 . 6 1 1 A 50 50 LEU N N 50 122.996 120.908 2.088 1 1 545 . 6 1 1 A 50 50 LEU H H 50 7.818 7.953 -0.135 1 1 546 . 6 1 1 A 50 50 LEU CA C 50 53.971 53.095 0.876 1 1 547 . 6 1 1 A 50 50 LEU HA H 50 4.727 4.951 -0.224 1 1 548 . 6 1 1 A 50 50 LEU CB C 50 43.482 45.453 -1.971 1 1 561 . 6 1 1 A 50 50 LEU C C 50 174.930 175.571 -0.641 1 1 562 . 6 1 1 A 51 51 ARG N N 51 119.072 119.749 -0.677 1 1 563 . 6 1 1 A 51 51 ARG H H 51 8.410 8.573 -0.163 1 1 564 . 6 1 1 A 51 51 ARG CA C 51 54.020 54.673 -0.653 1 1 565 . 6 1 1 A 51 51 ARG HA H 51 5.843 5.310 0.533 1 1 566 . 6 1 1 A 51 51 ARG CB C 51 34.724 32.770 1.954 1 1 575 . 6 1 1 A 51 51 ARG C C 51 176.707 175.696 1.011 1 1 576 . 6 1 1 A 52 52 GLY N N 52 109.058 110.099 -1.041 1 1 577 . 6 1 1 A 52 52 GLY H H 52 8.661 8.725 -0.064 1 1 578 . 6 1 1 A 52 52 GLY CA C 52 45.683 45.898 -0.215 1 1 579 . 6 1 1 A 52 52 GLY HA2 H 52 3.975 4.467 -0.492 1 1 580 . 6 1 1 A 52 52 GLY HA3 H 52 4.248 4.484 -0.236 1 1 581 . 6 1 1 A 52 52 GLY C C 52 171.261 172.692 -1.431 1 1 582 . 6 1 1 A 53 53 TRP N N 53 119.558 117.722 1.836 1 1 583 . 6 1 1 A 53 53 TRP H H 53 8.825 9.154 -0.329 1 1 584 . 6 1 1 A 53 53 TRP CA C 53 55.402 55.158 0.244 1 1 585 . 6 1 1 A 53 53 TRP HA H 53 6.222 5.814 0.408 1 1 586 . 6 1 1 A 53 53 TRP CB C 53 31.856 32.616 -0.760 1 1 601 . 6 1 1 A 53 53 TRP C C 53 176.100 175.389 0.711 1 1 602 . 6 1 1 A 54 54 PHE N N 54 115.426 115.734 -0.308 1 1 603 . 6 1 1 A 54 54 PHE H H 54 8.976 8.605 0.371 1 1 604 . 6 1 1 A 54 54 PHE CA C 54 55.805 55.571 0.234 1 1 605 . 6 1 1 A 54 54 PHE HA H 54 4.833 4.497 0.336 1 1 606 . 6 1 1 A 54 54 PHE CB C 54 39.295 39.419 -0.124 1 1 619 . 6 1 1 A 54 54 PHE C C 54 171.898 171.831 0.067 1 1 620 . 6 1 1 A 55 55 PRO CA C 55 61.963 62.605 -0.642 1 1 621 . 6 1 1 A 55 55 PRO HA H 55 4.654 4.806 -0.152 1 1 622 . 6 1 1 A 55 55 PRO CB C 55 31.179 31.499 -0.320 1 1 631 . 6 1 1 A 55 55 PRO C C 55 177.168 177.727 -0.559 1 1 632 . 6 1 1 A 56 56 ALA N N 56 130.132 128.250 1.882 1 1 633 . 6 1 1 A 56 56 ALA H H 56 7.818 8.292 -0.474 1 1 634 . 6 1 1 A 56 56 ALA CA C 56 55.045 54.953 0.092 1 1 635 . 6 1 1 A 56 56 ALA HA H 56 3.032 3.936 -0.904 1 1 636 . 6 1 1 A 56 56 ALA CB C 56 16.542 17.100 -0.558 1 1 640 . 6 1 1 A 56 56 ALA C C 56 178.595 179.771 -1.176 1 1 641 . 6 1 1 A 57 57 LYS N N 57 110.974 116.098 -5.124 1 1 642 . 6 1 1 A 57 57 LYS H H 57 8.024 7.937 0.087 1 1 643 . 6 1 1 A 57 57 LYS CA C 57 57.118 58.646 -1.528 1 1 644 . 6 1 1 A 57 57 LYS HA H 57 4.213 4.051 0.162 1 1 645 . 6 1 1 A 57 57 LYS CB C 57 31.641 31.799 -0.158 1 1 657 . 6 1 1 A 57 57 LYS C C 57 177.053 178.311 -1.258 1 1 658 . 6 1 1 A 58 58 PHE N N 58 118.768 117.860 0.908 1 1 659 . 6 1 1 A 58 58 PHE H H 58 7.911 7.787 0.124 1 1 660 . 6 1 1 A 58 58 PHE CA C 58 56.933 61.219 -4.286 1 1 661 . 6 1 1 A 58 58 PHE HA H 58 4.739 4.325 0.414 1 1 662 . 6 1 1 A 58 58 PHE CB C 58 38.643 39.560 -0.917 1 1 675 . 6 1 1 A 58 58 PHE C C 58 174.837 175.847 -1.010 1 1 676 . 6 1 1 A 59 59 VAL N N 59 109.843 113.931 -4.088 1 1 677 . 6 1 1 A 59 59 VAL H H 59 7.796 7.487 0.309 1 1 678 . 6 1 1 A 59 59 VAL CA C 59 58.332 59.661 -1.329 1 1 679 . 6 1 1 A 59 59 VAL HA H 59 5.333 4.839 0.494 1 1 680 . 6 1 1 A 59 59 VAL CB C 59 35.704 34.407 1.297 1 1 690 . 6 1 1 A 59 59 VAL C C 59 173.452 174.236 -0.784 1 1 691 . 6 1 1 A 60 60 GLU N N 60 119.932 120.841 -0.909 1 1 692 . 6 1 1 A 60 60 GLU H H 60 8.699 8.986 -0.287 1 1 693 . 6 1 1 A 60 60 GLU CA C 60 54.202 54.642 -0.440 1 1 694 . 6 1 1 A 60 60 GLU HA H 60 4.863 5.095 -0.232 1 1 695 . 6 1 1 A 60 60 GLU CB C 60 33.573 33.388 0.185 1 1 701 . 6 1 1 A 60 60 GLU C C 60 176.100 175.802 0.298 1 1 702 . 6 1 1 A 61 61 VAL N N 61 127.661 127.158 0.503 1 1 703 . 6 1 1 A 61 61 VAL H H 61 9.107 8.806 0.301 1 1 704 . 6 1 1 A 61 61 VAL CA C 61 64.612 63.140 1.472 1 1 705 . 6 1 1 A 61 61 VAL HA H 61 3.957 4.379 -0.422 1 1 706 . 6 1 1 A 61 61 VAL CB C 61 31.875 32.287 -0.412 1 1 716 . 6 1 1 A 61 61 VAL C C 61 176.294 175.478 0.816 1 1 717 . 6 1 1 A 62 62 LEU N N 62 128.512 125.637 2.875 1 1 718 . 6 1 1 A 62 62 LEU H H 62 8.777 8.380 0.397 1 1 719 . 6 1 1 A 62 62 LEU CA C 62 54.677 53.986 0.691 1 1 720 . 6 1 1 A 62 62 LEU HA H 62 4.456 4.849 -0.393 1 1 721 . 6 1 1 A 62 62 LEU CB C 62 42.548 44.669 -2.121 1 1 734 . 6 1 1 A 62 62 LEU C C 62 176.888 174.860 2.028 1 1 735 . 6 1 1 A 63 63 ASP N N 63 122.605 125.453 -2.848 1 1 736 . 6 1 1 A 63 63 ASP H H 63 8.588 8.879 -0.291 1 1 737 . 6 1 1 A 63 63 ASP CA C 63 53.971 52.752 1.219 1 1 738 . 6 1 1 A 63 63 ASP HA H 63 4.643 4.961 -0.318 1 1 739 . 6 1 1 A 63 63 ASP CB C 63 41.629 40.727 0.902 1 1 742 . 6 1 1 A 63 63 ASP C C 63 176.460 175.485 0.975 1 1 743 . 6 1 1 A 64 64 GLU N N 64 122.614 126.164 -3.550 1 1 744 . 6 1 1 A 64 64 GLU H H 64 8.634 8.434 0.200 1 1 745 . 6 1 1 A 64 64 GLU CA C 64 57.086 57.394 -0.308 1 1 746 . 6 1 1 A 64 64 GLU HA H 64 4.158 4.226 -0.068 1 1 747 . 6 1 1 A 64 64 GLU CB C 64 30.055 30.342 -0.287 1 1 753 . 6 1 1 A 64 64 GLU C C 64 176.801 176.258 0.543 1 1 754 . 6 1 1 A 65 65 ARG N N 65 120.526 122.137 -1.611 1 1 755 . 6 1 1 A 65 65 ARG H H 65 8.416 8.644 -0.228 1 1 756 . 6 1 1 A 65 65 ARG CA C 65 56.430 55.159 1.271 1 1 757 . 6 1 1 A 65 65 ARG HA H 65 4.323 4.758 -0.435 1 1 758 . 6 1 1 A 65 65 ARG CB C 65 30.493 30.717 -0.224 1 1 767 . 6 1 1 A 65 65 ARG C C 65 176.896 174.056 2.840 1 1 768 . 6 1 1 A 66 66 SER N N 66 116.214 114.945 1.269 1 1 769 . 6 1 1 A 66 66 SER H H 66 8.225 7.627 0.598 1 1 770 . 6 1 1 A 66 66 SER CA C 66 58.732 59.133 -0.401 1 1 771 . 6 1 1 A 66 66 SER HA H 66 4.799 4.408 0.391 1 1 772 . 6 1 1 A 66 66 SER CB C 66 63.879 63.340 0.539 1 1 775 . 6 1 1 A 66 66 SER C C 66 175.225 173.954 1.271 1 1 776 . 6 1 1 A 67 67 LYS CA C 67 56.993 56.577 0.416 1 1 777 . 6 1 1 A 67 67 LYS HA H 67 4.270 4.430 -0.160 1 1 778 . 6 1 1 A 67 67 LYS CB C 67 32.724 33.200 -0.476 1 1 790 . 6 1 1 A 68 68 GLU N N 68 120.561 124.855 -4.294 1 1 791 . 6 1 1 A 68 68 GLU H H 68 8.417 8.916 -0.499 1 1 792 . 6 1 1 A 68 68 GLU CA C 68 57.144 54.653 2.491 1 1 793 . 6 1 1 A 68 68 GLU HA H 68 4.193 5.055 -0.862 1 1 794 . 6 1 1 A 68 68 GLU CB C 68 30.025 32.856 -2.831 1 1 800 . 6 1 1 A 68 68 GLU C C 68 176.828 175.573 1.255 1 1 801 . 6 1 1 A 69 69 TYR N N 69 120.399 122.529 -2.130 1 1 802 . 6 1 1 A 69 69 TYR H H 69 8.027 9.168 -1.141 1 1 803 . 6 1 1 A 69 69 TYR CA C 69 58.296 56.851 1.445 1 1 804 . 6 1 1 A 69 69 TYR HA H 69 4.504 4.700 -0.196 1 1 805 . 6 1 1 A 69 69 TYR CB C 69 38.965 36.780 2.185 1 1 816 . 6 1 1 A 69 69 TYR C C 69 176.367 175.163 1.204 1 1 817 . 6 1 1 A 70 70 SER N N 70 117.031 119.312 -2.281 1 1 818 . 6 1 1 A 70 70 SER H H 70 8.067 8.183 -0.116 1 1 819 . 6 1 1 A 70 70 SER CA C 70 58.167 59.141 -0.974 1 1 820 . 6 1 1 A 70 70 SER HA H 70 4.441 4.518 -0.077 1 1 821 . 6 1 1 A 70 70 SER CB C 70 63.911 64.122 -0.211 1 1 824 . 6 1 1 A 70 70 SER C C 70 174.448 174.840 -0.392 1 1 825 . 6 1 1 A 71 71 ILE N N 71 122.402 118.550 3.852 1 1 826 . 6 1 1 A 71 71 ILE H H 71 8.083 8.380 -0.297 1 1 827 . 6 1 1 A 71 71 ILE CA C 71 61.411 59.815 1.596 1 1 828 . 6 1 1 A 71 71 ILE HA H 71 4.161 4.545 -0.384 1 1 829 . 6 1 1 A 71 71 ILE CB C 71 38.779 37.373 1.406 1 1 842 . 6 1 1 A 71 71 ILE C C 71 176.172 175.128 1.044 1 1 843 . 6 1 1 A 72 72 ALA N N 72 127.574 120.917 6.657 1 1 844 . 6 1 1 A 72 72 ALA H H 72 8.306 7.845 0.461 1 1 845 . 6 1 1 A 72 72 ALA CA C 72 52.631 53.023 -0.392 1 1 846 . 6 1 1 A 72 72 ALA HA H 72 4.366 3.961 0.405 1 1 847 . 6 1 1 A 72 72 ALA CB C 72 19.242 17.033 2.209 1 1 851 . 6 1 1 A 72 72 ALA C C 72 177.702 176.181 1.521 1 1 852 . 6 1 1 A 73 73 SER N N 73 115.199 110.916 4.283 1 1 853 . 6 1 1 A 73 73 SER H H 73 8.223 7.934 0.289 1 1 854 . 6 1 1 A 73 73 SER CA C 73 58.285 56.860 1.425 1 1 855 . 6 1 1 A 73 73 SER HA H 73 4.471 4.836 -0.365 1 1 856 . 6 1 1 A 73 73 SER CB C 73 64.233 63.715 0.518 1 1 859 . 6 1 1 A 73 73 SER C C 73 174.639 174.576 0.063 1 1 860 . 6 1 1 A 74 74 GLY N N 74 110.616 113.904 -3.288 1 1 861 . 6 1 1 A 74 74 GLY H H 74 8.185 8.786 -0.601 1 1 862 . 6 1 1 A 74 74 GLY CA C 74 44.677 44.517 0.160 1 1 863 . 6 1 1 A 74 74 GLY HA2 H 74 4.171 4.076 0.095 1 1 864 . 6 1 1 A 74 74 GLY HA3 H 74 4.107 4.076 0.031 1 1 865 . 6 1 1 A 74 74 GLY C C 74 171.850 173.512 -1.662 1 1 866 . 6 1 1 A 75 75 PRO CA C 75 63.266 62.432 0.834 1 1 867 . 6 1 1 A 75 75 PRO HA H 75 4.487 4.776 -0.289 1 1 868 . 6 1 1 A 75 75 PRO CB C 75 32.196 29.885 2.311 1 1 877 . 6 1 1 A 76 76 SER N N 76 116.439 114.084 2.355 1 1 878 . 6 1 1 A 76 76 SER H H 76 8.562 8.076 0.486 1 1 879 . 6 1 1 A 76 76 SER CA C 76 58.747 56.376 2.371 1 1 880 . 6 1 1 A 76 76 SER CB C 76 64.105 66.097 -1.992 1 1 1 . 7 1 1 A 6 6 SER CA C 6 58.690 57.777 0.913 1 1 2 . 7 1 1 A 6 6 SER HA H 6 4.411 4.840 -0.429 1 1 3 . 7 1 1 A 7 7 GLY N N 7 110.826 112.122 -1.296 1 1 4 . 7 1 1 A 7 7 GLY H H 7 8.436 8.276 0.160 1 1 5 . 7 1 1 A 7 7 GLY CA C 7 45.315 45.511 -0.196 1 1 6 . 7 1 1 A 7 7 GLY HA2 H 7 4.029 4.050 -0.021 1 1 7 . 7 1 1 A 7 7 GLY HA3 H 7 3.918 4.059 -0.141 1 1 8 . 7 1 1 A 7 7 GLY C C 7 173.788 172.108 1.680 1 1 9 . 7 1 1 A 8 8 ARG N N 8 120.458 124.263 -3.805 1 1 10 . 7 1 1 A 8 8 ARG H H 8 8.272 8.561 -0.289 1 1 11 . 7 1 1 A 8 8 ARG CA C 8 55.715 54.023 1.692 1 1 12 . 7 1 1 A 8 8 ARG HA H 8 4.500 5.055 -0.555 1 1 13 . 7 1 1 A 8 8 ARG CB C 8 31.541 34.202 -2.661 1 1 22 . 7 1 1 A 8 8 ARG C C 8 175.201 174.923 0.278 1 1 23 . 7 1 1 A 9 9 ARG N N 9 121.537 119.847 1.690 1 1 24 . 7 1 1 A 9 9 ARG H H 9 8.879 8.422 0.457 1 1 25 . 7 1 1 A 9 9 ARG CA C 9 54.737 54.315 0.422 1 1 26 . 7 1 1 A 9 9 ARG HA H 9 5.288 5.177 0.111 1 1 27 . 7 1 1 A 9 9 ARG CB C 9 34.064 34.581 -0.517 1 1 36 . 7 1 1 A 9 9 ARG C C 9 174.910 174.410 0.500 1 1 37 . 7 1 1 A 10 10 ALA N N 10 122.000 123.508 -1.508 1 1 38 . 7 1 1 A 10 10 ALA H H 10 9.200 8.560 0.640 1 1 39 . 7 1 1 A 10 10 ALA CA C 10 50.229 50.376 -0.147 1 1 40 . 7 1 1 A 10 10 ALA HA H 10 5.143 5.657 -0.514 1 1 41 . 7 1 1 A 10 10 ALA CB C 10 23.552 23.396 0.156 1 1 45 . 7 1 1 A 10 10 ALA C C 10 173.920 174.561 -0.641 1 1 46 . 7 1 1 A 11 11 LYS N N 11 121.984 121.761 0.223 1 1 47 . 7 1 1 A 11 11 LYS H H 11 8.962 9.112 -0.150 1 1 48 . 7 1 1 A 11 11 LYS CA C 11 53.936 54.722 -0.786 1 1 49 . 7 1 1 A 11 11 LYS HA H 11 5.043 4.883 0.160 1 1 50 . 7 1 1 A 11 11 LYS CB C 11 35.705 34.849 0.856 1 1 62 . 7 1 1 A 11 11 LYS C C 11 176.193 176.084 0.109 1 1 63 . 7 1 1 A 12 12 ALA N N 12 128.384 129.065 -0.681 1 1 64 . 7 1 1 A 12 12 ALA H H 12 8.974 8.949 0.025 1 1 65 . 7 1 1 A 12 12 ALA CA C 12 52.878 52.232 0.646 1 1 66 . 7 1 1 A 12 12 ALA HA H 12 4.271 4.383 -0.112 1 1 67 . 7 1 1 A 12 12 ALA CB C 12 21.024 18.685 2.339 1 1 71 . 7 1 1 A 12 12 ALA C C 12 179.524 178.094 1.430 1 1 72 . 7 1 1 A 13 13 LEU N N 13 126.125 126.901 -0.776 1 1 73 . 7 1 1 A 13 13 LEU H H 13 9.490 8.315 1.175 1 1 74 . 7 1 1 A 13 13 LEU CA C 13 55.697 56.725 -1.028 1 1 75 . 7 1 1 A 13 13 LEU HA H 13 4.258 4.127 0.131 1 1 76 . 7 1 1 A 13 13 LEU CB C 13 43.073 42.701 0.372 1 1 89 . 7 1 1 A 13 13 LEU C C 13 175.705 176.838 -1.133 1 1 90 . 7 1 1 A 14 14 LEU N N 14 116.229 113.507 2.722 1 1 91 . 7 1 1 A 14 14 LEU H H 14 7.638 7.706 -0.068 1 1 92 . 7 1 1 A 14 14 LEU CA C 14 53.715 53.667 0.048 1 1 93 . 7 1 1 A 14 14 LEU HA H 14 4.436 4.807 -0.371 1 1 94 . 7 1 1 A 14 14 LEU CB C 14 45.286 44.743 0.543 1 1 107 . 7 1 1 A 14 14 LEU C C 14 173.987 174.686 -0.699 1 1 108 . 7 1 1 A 15 15 ASP N N 15 116.528 121.325 -4.797 1 1 109 . 7 1 1 A 15 15 ASP H H 15 8.047 8.704 -0.657 1 1 110 . 7 1 1 A 15 15 ASP CA C 15 54.712 54.077 0.635 1 1 111 . 7 1 1 A 15 15 ASP HA H 15 4.628 4.978 -0.350 1 1 112 . 7 1 1 A 15 15 ASP CB C 15 41.437 42.102 -0.665 1 1 115 . 7 1 1 A 16 16 PHE N N 16 123.405 125.825 -2.420 1 1 116 . 7 1 1 A 16 16 PHE H H 16 8.414 8.664 -0.250 1 1 117 . 7 1 1 A 16 16 PHE CA C 16 56.555 56.401 0.154 1 1 118 . 7 1 1 A 16 16 PHE HA H 16 4.576 5.008 -0.432 1 1 119 . 7 1 1 A 16 16 PHE CB C 16 41.647 41.778 -0.131 1 1 132 . 7 1 1 A 17 17 GLU N N 17 127.173 125.775 1.398 1 1 133 . 7 1 1 A 17 17 GLU H H 17 7.775 8.075 -0.300 1 1 134 . 7 1 1 A 17 17 GLU CA C 17 54.469 54.572 -0.103 1 1 135 . 7 1 1 A 17 17 GLU HA H 17 4.025 4.224 -0.199 1 1 136 . 7 1 1 A 17 17 GLU CB C 17 30.119 29.664 0.455 1 1 142 . 7 1 1 A 17 17 GLU C C 17 174.327 175.251 -0.924 1 1 143 . 7 1 1 A 18 18 ARG N N 18 123.112 124.745 -1.633 1 1 144 . 7 1 1 A 18 18 ARG H H 18 7.721 7.962 -0.241 1 1 145 . 7 1 1 A 18 18 ARG CA C 18 55.738 56.036 -0.298 1 1 146 . 7 1 1 A 18 18 ARG HA H 18 3.665 3.601 0.064 1 1 147 . 7 1 1 A 18 18 ARG CB C 18 30.846 30.449 0.397 1 1 156 . 7 1 1 A 18 18 ARG C C 18 175.954 176.332 -0.378 1 1 157 . 7 1 1 A 19 19 HIS N N 19 121.992 123.199 -1.207 1 1 158 . 7 1 1 A 19 19 HIS H H 19 9.200 8.792 0.408 1 1 159 . 7 1 1 A 19 19 HIS CA C 19 56.774 55.911 0.863 1 1 160 . 7 1 1 A 19 19 HIS HA H 19 4.612 4.634 -0.022 1 1 161 . 7 1 1 A 19 19 HIS CB C 19 30.061 29.960 0.101 1 1 168 . 7 1 1 A 19 19 HIS C C 19 174.151 173.369 0.782 1 1 169 . 7 1 1 A 20 20 ASP N N 20 119.946 119.106 0.840 1 1 170 . 7 1 1 A 20 20 ASP H H 20 8.160 7.547 0.613 1 1 171 . 7 1 1 A 20 20 ASP CA C 20 53.371 53.415 -0.044 1 1 172 . 7 1 1 A 20 20 ASP HA H 20 4.785 4.980 -0.195 1 1 173 . 7 1 1 A 20 20 ASP CB C 20 43.492 44.645 -1.153 1 1 176 . 7 1 1 A 20 20 ASP C C 20 176.571 175.544 1.027 1 1 177 . 7 1 1 A 21 21 ASP N N 21 119.329 122.952 -3.623 1 1 178 . 7 1 1 A 21 21 ASP H H 21 8.686 9.112 -0.426 1 1 179 . 7 1 1 A 21 21 ASP CA C 21 56.641 56.835 -0.194 1 1 180 . 7 1 1 A 21 21 ASP HA H 21 4.439 4.335 0.104 1 1 181 . 7 1 1 A 21 21 ASP CB C 21 40.977 40.326 0.651 1 1 184 . 7 1 1 A 21 21 ASP C C 21 176.619 177.866 -1.247 1 1 185 . 7 1 1 A 22 22 ASP N N 22 116.501 117.621 -1.120 1 1 186 . 7 1 1 A 22 22 ASP H H 22 8.702 7.873 0.829 1 1 187 . 7 1 1 A 22 22 ASP CA C 22 54.535 56.057 -1.522 1 1 188 . 7 1 1 A 22 22 ASP HA H 22 4.769 4.736 0.033 1 1 189 . 7 1 1 A 22 22 ASP CB C 22 40.833 41.444 -0.611 1 1 192 . 7 1 1 A 22 22 ASP C C 22 176.139 177.287 -1.148 1 1 193 . 7 1 1 A 23 23 GLU N N 23 119.696 118.516 1.180 1 1 194 . 7 1 1 A 23 23 GLU H H 23 7.540 8.134 -0.594 1 1 195 . 7 1 1 A 23 23 GLU CA C 23 55.398 57.531 -2.133 1 1 196 . 7 1 1 A 23 23 GLU HA H 23 4.519 4.059 0.460 1 1 197 . 7 1 1 A 23 23 GLU CB C 23 32.584 30.109 2.475 1 1 203 . 7 1 1 A 23 23 GLU C C 23 175.760 175.956 -0.196 1 1 204 . 7 1 1 A 24 24 LEU N N 24 125.257 126.165 -0.908 1 1 205 . 7 1 1 A 24 24 LEU H H 24 8.766 8.727 0.039 1 1 206 . 7 1 1 A 24 24 LEU CA C 24 53.525 53.991 -0.466 1 1 207 . 7 1 1 A 24 24 LEU HA H 24 4.410 4.950 -0.540 1 1 208 . 7 1 1 A 24 24 LEU CB C 24 44.685 43.977 0.708 1 1 221 . 7 1 1 A 24 24 LEU C C 24 173.987 175.616 -1.629 1 1 222 . 7 1 1 A 25 25 GLY N N 25 107.345 114.229 -6.884 1 1 223 . 7 1 1 A 25 25 GLY H H 25 7.584 9.008 -1.424 1 1 224 . 7 1 1 A 25 25 GLY CA C 25 44.096 44.829 -0.733 1 1 225 . 7 1 1 A 25 25 GLY HA2 H 25 3.361 3.911 -0.550 1 1 226 . 7 1 1 A 25 25 GLY HA3 H 25 4.260 3.926 0.334 1 1 227 . 7 1 1 A 25 25 GLY C C 25 173.720 172.700 1.020 1 1 228 . 7 1 1 A 26 26 PHE N N 26 114.043 116.605 -2.562 1 1 229 . 7 1 1 A 26 26 PHE H H 26 8.330 7.925 0.405 1 1 230 . 7 1 1 A 26 26 PHE CA C 26 56.440 56.138 0.302 1 1 231 . 7 1 1 A 26 26 PHE HA H 26 4.749 5.332 -0.583 1 1 232 . 7 1 1 A 26 26 PHE CB C 26 40.494 41.560 -1.066 1 1 245 . 7 1 1 A 26 26 PHE C C 26 174.820 172.441 2.379 1 1 246 . 7 1 1 A 27 27 ARG N N 27 120.928 118.681 2.247 1 1 247 . 7 1 1 A 27 27 ARG H H 27 9.597 8.644 0.953 1 1 248 . 7 1 1 A 27 27 ARG CA C 27 53.054 53.910 -0.856 1 1 249 . 7 1 1 A 27 27 ARG HA H 27 4.974 5.005 -0.031 1 1 250 . 7 1 1 A 27 27 ARG CB C 27 32.687 34.062 -1.375 1 1 259 . 7 1 1 A 27 27 ARG C C 27 175.511 175.400 0.111 1 1 260 . 7 1 1 A 28 28 LYS N N 28 120.682 122.398 -1.716 1 1 261 . 7 1 1 A 28 28 LYS H H 28 8.922 8.597 0.325 1 1 262 . 7 1 1 A 28 28 LYS CA C 28 59.064 58.149 0.915 1 1 263 . 7 1 1 A 28 28 LYS HA H 28 3.220 4.006 -0.786 1 1 264 . 7 1 1 A 28 28 LYS CB C 28 32.826 32.334 0.492 1 1 276 . 7 1 1 A 28 28 LYS C C 28 177.019 177.272 -0.253 1 1 277 . 7 1 1 A 29 29 ASN N N 29 117.470 118.861 -1.391 1 1 278 . 7 1 1 A 29 29 ASN H H 29 8.728 9.313 -0.585 1 1 279 . 7 1 1 A 29 29 ASN CA C 29 56.477 54.373 2.104 1 1 280 . 7 1 1 A 29 29 ASN HA H 29 4.148 4.304 -0.156 1 1 281 . 7 1 1 A 29 29 ASN CB C 29 37.170 37.228 -0.058 1 1 287 . 7 1 1 A 29 29 ASN C C 29 174.716 173.603 1.113 1 1 288 . 7 1 1 A 30 30 ASP N N 30 122.549 116.434 6.115 1 1 289 . 7 1 1 A 30 30 ASP H H 30 8.527 7.692 0.835 1 1 290 . 7 1 1 A 30 30 ASP CA C 30 56.167 52.786 3.381 1 1 291 . 7 1 1 A 30 30 ASP HA H 30 4.596 5.110 -0.514 1 1 292 . 7 1 1 A 30 30 ASP CB C 30 41.797 43.531 -1.734 1 1 295 . 7 1 1 A 30 30 ASP C C 30 175.177 175.247 -0.070 1 1 296 . 7 1 1 A 31 31 ILE N N 31 119.187 123.538 -4.351 1 1 297 . 7 1 1 A 31 31 ILE H H 31 8.267 8.875 -0.608 1 1 298 . 7 1 1 A 31 31 ILE CA C 31 59.191 60.493 -1.302 1 1 299 . 7 1 1 A 31 31 ILE HA H 31 4.819 4.732 0.087 1 1 300 . 7 1 1 A 31 31 ILE CB C 31 36.702 38.701 -1.999 1 1 313 . 7 1 1 A 31 31 ILE C C 31 175.437 175.356 0.081 1 1 314 . 7 1 1 A 32 32 ILE N N 32 129.566 127.780 1.786 1 1 315 . 7 1 1 A 32 32 ILE H H 32 9.247 8.863 0.384 1 1 316 . 7 1 1 A 32 32 ILE CA C 32 60.211 59.414 0.797 1 1 317 . 7 1 1 A 32 32 ILE HA H 32 4.140 4.772 -0.632 1 1 318 . 7 1 1 A 32 32 ILE CB C 32 41.978 40.702 1.276 1 1 331 . 7 1 1 A 32 32 ILE C C 32 176.197 175.173 1.024 1 1 332 . 7 1 1 A 33 33 THR N N 33 123.061 122.035 1.026 1 1 333 . 7 1 1 A 33 33 THR H H 33 8.741 8.372 0.369 1 1 334 . 7 1 1 A 33 33 THR CA C 33 63.117 63.145 -0.028 1 1 335 . 7 1 1 A 33 33 THR HA H 33 4.583 4.441 0.142 1 1 336 . 7 1 1 A 33 33 THR CB C 33 69.626 69.202 0.424 1 1 342 . 7 1 1 A 33 33 THR C C 33 174.011 174.043 -0.032 1 1 343 . 7 1 1 A 34 34 ILE N N 34 128.281 126.438 1.843 1 1 344 . 7 1 1 A 34 34 ILE H H 34 9.110 8.941 0.169 1 1 345 . 7 1 1 A 34 34 ILE CA C 34 61.566 60.700 0.866 1 1 346 . 7 1 1 A 34 34 ILE HA H 34 4.117 4.435 -0.318 1 1 347 . 7 1 1 A 34 34 ILE CB C 34 36.785 37.807 -1.022 1 1 360 . 7 1 1 A 34 34 ILE C C 34 175.420 175.467 -0.047 1 1 361 . 7 1 1 A 35 35 ILE N N 35 128.859 129.864 -1.005 1 1 362 . 7 1 1 A 35 35 ILE H H 35 9.359 8.932 0.427 1 1 363 . 7 1 1 A 35 35 ILE CA C 35 60.949 62.988 -2.039 1 1 364 . 7 1 1 A 35 35 ILE HA H 35 4.224 4.057 0.167 1 1 365 . 7 1 1 A 35 35 ILE CB C 35 38.186 38.395 -0.209 1 1 378 . 7 1 1 A 35 35 ILE C C 35 176.253 176.134 0.119 1 1 379 . 7 1 1 A 36 36 SER N N 36 111.665 113.277 -1.612 1 1 380 . 7 1 1 A 36 36 SER H H 36 7.882 7.771 0.111 1 1 381 . 7 1 1 A 36 36 SER CA C 36 57.605 56.680 0.925 1 1 382 . 7 1 1 A 36 36 SER HA H 36 4.525 4.796 -0.271 1 1 383 . 7 1 1 A 36 36 SER CB C 36 64.435 65.824 -1.389 1 1 386 . 7 1 1 A 36 36 SER C C 36 172.845 172.520 0.325 1 1 387 . 7 1 1 A 37 37 GLN N N 37 116.906 122.728 -5.822 1 1 388 . 7 1 1 A 37 37 GLN H H 37 8.055 8.658 -0.603 1 1 389 . 7 1 1 A 37 37 GLN CA C 37 54.718 53.926 0.792 1 1 390 . 7 1 1 A 37 37 GLN HA H 37 4.420 4.802 -0.382 1 1 391 . 7 1 1 A 37 37 GLN CB C 37 29.381 28.549 0.832 1 1 400 . 7 1 1 A 37 37 GLN C C 37 175.080 176.001 -0.921 1 1 401 . 7 1 1 A 38 38 LYS N N 38 124.909 125.333 -0.424 1 1 402 . 7 1 1 A 38 38 LYS H H 38 8.046 8.708 -0.662 1 1 403 . 7 1 1 A 38 38 LYS CA C 38 58.998 59.860 -0.862 1 1 404 . 7 1 1 A 38 38 LYS HA H 38 4.076 3.971 0.105 1 1 405 . 7 1 1 A 38 38 LYS CB C 38 33.116 32.466 0.650 1 1 417 . 7 1 1 A 38 38 LYS C C 38 176.508 176.482 0.026 1 1 418 . 7 1 1 A 39 39 ASP N N 39 117.133 116.966 0.167 1 1 419 . 7 1 1 A 39 39 ASP H H 39 8.296 8.113 0.183 1 1 420 . 7 1 1 A 39 39 ASP CA C 39 53.294 52.581 0.713 1 1 421 . 7 1 1 A 39 39 ASP HA H 39 4.558 5.094 -0.536 1 1 422 . 7 1 1 A 39 39 ASP CB C 39 41.847 44.438 -2.591 1 1 425 . 7 1 1 A 39 39 ASP C C 39 175.201 175.887 -0.686 1 1 426 . 7 1 1 A 40 40 GLU N N 40 116.223 121.295 -5.072 1 1 427 . 7 1 1 A 40 40 GLU H H 40 8.564 8.840 -0.276 1 1 428 . 7 1 1 A 40 40 GLU CA C 40 58.748 59.300 -0.552 1 1 429 . 7 1 1 A 40 40 GLU HA H 40 4.088 4.309 -0.221 1 1 430 . 7 1 1 A 40 40 GLU CB C 40 29.696 29.925 -0.229 1 1 436 . 7 1 1 A 40 40 GLU C C 40 176.367 178.132 -1.765 1 1 437 . 7 1 1 A 41 41 HIS N N 41 114.612 114.306 0.306 1 1 438 . 7 1 1 A 41 41 HIS H H 41 8.383 7.853 0.530 1 1 439 . 7 1 1 A 41 41 HIS CA C 41 56.873 57.551 -0.678 1 1 440 . 7 1 1 A 41 41 HIS HA H 41 4.613 4.293 0.320 1 1 441 . 7 1 1 A 41 41 HIS CB C 41 32.910 31.532 1.378 1 1 448 . 7 1 1 A 41 41 HIS C C 41 176.755 174.558 2.197 1 1 449 . 7 1 1 A 42 42 CYS N N 42 122.290 117.072 5.218 1 1 450 . 7 1 1 A 42 42 CYS H H 42 8.337 7.576 0.761 1 1 451 . 7 1 1 A 42 42 CYS CA C 42 58.168 57.558 0.610 1 1 452 . 7 1 1 A 42 42 CYS HA H 42 4.885 4.708 0.177 1 1 453 . 7 1 1 A 42 42 CYS CB C 42 29.227 28.630 0.597 1 1 456 . 7 1 1 A 42 42 CYS C C 42 172.892 174.141 -1.249 1 1 457 . 7 1 1 A 43 43 TRP N N 43 127.114 124.177 2.937 1 1 458 . 7 1 1 A 43 43 TRP H H 43 8.333 8.584 -0.251 1 1 459 . 7 1 1 A 43 43 TRP CA C 43 53.262 55.884 -2.622 1 1 460 . 7 1 1 A 43 43 TRP HA H 43 5.307 5.215 0.092 1 1 461 . 7 1 1 A 43 43 TRP CB C 43 33.323 32.139 1.184 1 1 476 . 7 1 1 A 43 43 TRP C C 43 173.064 175.013 -1.949 1 1 477 . 7 1 1 A 44 44 VAL N N 44 117.650 121.534 -3.884 1 1 478 . 7 1 1 A 44 44 VAL H H 44 8.591 8.851 -0.260 1 1 479 . 7 1 1 A 44 44 VAL CA C 44 61.801 61.171 0.630 1 1 480 . 7 1 1 A 44 44 VAL HA H 44 4.739 5.203 -0.464 1 1 481 . 7 1 1 A 44 44 VAL CB C 44 32.962 33.837 -0.875 1 1 491 . 7 1 1 A 44 44 VAL C C 44 176.980 175.397 1.583 1 1 492 . 7 1 1 A 45 45 GLY N N 45 115.010 115.164 -0.154 1 1 493 . 7 1 1 A 45 45 GLY H H 45 9.469 8.806 0.663 1 1 494 . 7 1 1 A 45 45 GLY CA C 45 45.159 45.067 0.092 1 1 495 . 7 1 1 A 45 45 GLY HA2 H 45 3.769 4.436 -0.667 1 1 496 . 7 1 1 A 45 45 GLY HA3 H 45 5.478 4.584 0.894 1 1 497 . 7 1 1 A 45 45 GLY C C 45 170.022 172.534 -2.512 1 1 498 . 7 1 1 A 46 46 GLU N N 46 118.202 120.371 -2.169 1 1 499 . 7 1 1 A 46 46 GLU H H 46 9.072 8.911 0.161 1 1 500 . 7 1 1 A 46 46 GLU CA C 46 54.226 55.244 -1.018 1 1 501 . 7 1 1 A 46 46 GLU HA H 46 5.720 5.623 0.097 1 1 502 . 7 1 1 A 46 46 GLU CB C 46 34.724 33.609 1.115 1 1 508 . 7 1 1 A 46 46 GLU C C 46 174.843 174.803 0.040 1 1 509 . 7 1 1 A 47 47 LEU N N 47 125.182 126.628 -1.446 1 1 510 . 7 1 1 A 47 47 LEU H H 47 8.880 8.910 -0.030 1 1 511 . 7 1 1 A 47 47 LEU CA C 47 55.064 53.945 1.119 1 1 512 . 7 1 1 A 47 47 LEU HA H 47 4.711 4.547 0.164 1 1 513 . 7 1 1 A 47 47 LEU CB C 47 45.900 44.977 0.923 1 1 526 . 7 1 1 A 47 47 LEU C C 47 176.130 175.168 0.962 1 1 527 . 7 1 1 A 48 48 ASN N N 48 127.515 124.326 3.189 1 1 528 . 7 1 1 A 48 48 ASN H H 48 9.796 9.309 0.487 1 1 529 . 7 1 1 A 48 48 ASN CA C 48 54.407 54.466 -0.059 1 1 530 . 7 1 1 A 48 48 ASN HA H 48 4.457 4.455 0.002 1 1 531 . 7 1 1 A 48 48 ASN CB C 48 37.546 37.358 0.188 1 1 537 . 7 1 1 A 48 48 ASN C C 48 174.935 175.528 -0.593 1 1 538 . 7 1 1 A 49 49 GLY N N 49 104.068 103.868 0.200 1 1 539 . 7 1 1 A 49 49 GLY H H 49 8.891 8.293 0.598 1 1 540 . 7 1 1 A 49 49 GLY CA C 49 45.471 46.164 -0.693 1 1 541 . 7 1 1 A 49 49 GLY HA2 H 49 3.621 3.928 -0.307 1 1 542 . 7 1 1 A 49 49 GLY HA3 H 49 4.230 3.930 0.300 1 1 543 . 7 1 1 A 49 49 GLY C C 49 173.671 173.846 -0.175 1 1 544 . 7 1 1 A 50 50 LEU N N 50 122.996 120.350 2.646 1 1 545 . 7 1 1 A 50 50 LEU H H 50 7.818 8.147 -0.329 1 1 546 . 7 1 1 A 50 50 LEU CA C 50 53.971 53.256 0.715 1 1 547 . 7 1 1 A 50 50 LEU HA H 50 4.727 4.992 -0.265 1 1 548 . 7 1 1 A 50 50 LEU CB C 50 43.482 45.518 -2.036 1 1 561 . 7 1 1 A 50 50 LEU C C 50 174.930 175.310 -0.380 1 1 562 . 7 1 1 A 51 51 ARG N N 51 119.072 120.026 -0.954 1 1 563 . 7 1 1 A 51 51 ARG H H 51 8.410 8.626 -0.216 1 1 564 . 7 1 1 A 51 51 ARG CA C 51 54.020 54.707 -0.687 1 1 565 . 7 1 1 A 51 51 ARG HA H 51 5.843 5.440 0.403 1 1 566 . 7 1 1 A 51 51 ARG CB C 51 34.724 32.743 1.981 1 1 575 . 7 1 1 A 51 51 ARG C C 51 176.707 175.665 1.042 1 1 576 . 7 1 1 A 52 52 GLY N N 52 109.058 109.999 -0.941 1 1 577 . 7 1 1 A 52 52 GLY H H 52 8.661 8.252 0.409 1 1 578 . 7 1 1 A 52 52 GLY CA C 52 45.683 45.986 -0.303 1 1 579 . 7 1 1 A 52 52 GLY HA2 H 52 3.975 4.488 -0.513 1 1 580 . 7 1 1 A 52 52 GLY HA3 H 52 4.248 4.490 -0.242 1 1 581 . 7 1 1 A 52 52 GLY C C 52 171.261 172.661 -1.400 1 1 582 . 7 1 1 A 53 53 TRP N N 53 119.558 117.948 1.610 1 1 583 . 7 1 1 A 53 53 TRP H H 53 8.825 8.985 -0.160 1 1 584 . 7 1 1 A 53 53 TRP CA C 53 55.402 55.108 0.294 1 1 585 . 7 1 1 A 53 53 TRP HA H 53 6.222 5.737 0.485 1 1 586 . 7 1 1 A 53 53 TRP CB C 53 31.856 32.603 -0.747 1 1 601 . 7 1 1 A 53 53 TRP C C 53 176.100 175.378 0.722 1 1 602 . 7 1 1 A 54 54 PHE N N 54 115.426 115.681 -0.255 1 1 603 . 7 1 1 A 54 54 PHE H H 54 8.976 8.526 0.450 1 1 604 . 7 1 1 A 54 54 PHE CA C 54 55.805 55.584 0.221 1 1 605 . 7 1 1 A 54 54 PHE HA H 54 4.833 4.529 0.304 1 1 606 . 7 1 1 A 54 54 PHE CB C 54 39.295 39.419 -0.124 1 1 619 . 7 1 1 A 54 54 PHE C C 54 171.898 171.896 0.002 1 1 620 . 7 1 1 A 55 55 PRO CA C 55 61.963 62.620 -0.657 1 1 621 . 7 1 1 A 55 55 PRO HA H 55 4.654 4.656 -0.002 1 1 622 . 7 1 1 A 55 55 PRO CB C 55 31.179 31.511 -0.332 1 1 631 . 7 1 1 A 55 55 PRO C C 55 177.168 177.672 -0.504 1 1 632 . 7 1 1 A 56 56 ALA N N 56 130.132 128.121 2.011 1 1 633 . 7 1 1 A 56 56 ALA H H 56 7.818 8.532 -0.714 1 1 634 . 7 1 1 A 56 56 ALA CA C 56 55.045 55.049 -0.004 1 1 635 . 7 1 1 A 56 56 ALA HA H 56 3.032 3.999 -0.967 1 1 636 . 7 1 1 A 56 56 ALA CB C 56 16.542 17.049 -0.507 1 1 640 . 7 1 1 A 56 56 ALA C C 56 178.595 179.574 -0.979 1 1 641 . 7 1 1 A 57 57 LYS N N 57 110.974 115.981 -5.007 1 1 642 . 7 1 1 A 57 57 LYS H H 57 8.024 8.072 -0.048 1 1 643 . 7 1 1 A 57 57 LYS CA C 57 57.118 58.761 -1.643 1 1 644 . 7 1 1 A 57 57 LYS HA H 57 4.213 4.080 0.133 1 1 645 . 7 1 1 A 57 57 LYS CB C 57 31.641 32.041 -0.400 1 1 657 . 7 1 1 A 57 57 LYS C C 57 177.053 178.397 -1.344 1 1 658 . 7 1 1 A 58 58 PHE N N 58 118.768 118.420 0.348 1 1 659 . 7 1 1 A 58 58 PHE H H 58 7.911 8.218 -0.307 1 1 660 . 7 1 1 A 58 58 PHE CA C 58 56.933 61.069 -4.136 1 1 661 . 7 1 1 A 58 58 PHE HA H 58 4.739 4.342 0.397 1 1 662 . 7 1 1 A 58 58 PHE CB C 58 38.643 39.285 -0.642 1 1 675 . 7 1 1 A 58 58 PHE C C 58 174.837 175.887 -1.050 1 1 676 . 7 1 1 A 59 59 VAL N N 59 109.843 113.372 -3.529 1 1 677 . 7 1 1 A 59 59 VAL H H 59 7.796 7.674 0.122 1 1 678 . 7 1 1 A 59 59 VAL CA C 59 58.332 59.508 -1.176 1 1 679 . 7 1 1 A 59 59 VAL HA H 59 5.333 4.818 0.515 1 1 680 . 7 1 1 A 59 59 VAL CB C 59 35.704 34.725 0.979 1 1 690 . 7 1 1 A 59 59 VAL C C 59 173.452 174.137 -0.685 1 1 691 . 7 1 1 A 60 60 GLU N N 60 119.932 121.047 -1.115 1 1 692 . 7 1 1 A 60 60 GLU H H 60 8.699 9.012 -0.313 1 1 693 . 7 1 1 A 60 60 GLU CA C 60 54.202 54.628 -0.426 1 1 694 . 7 1 1 A 60 60 GLU HA H 60 4.863 5.183 -0.320 1 1 695 . 7 1 1 A 60 60 GLU CB C 60 33.573 33.393 0.180 1 1 701 . 7 1 1 A 60 60 GLU C C 60 176.100 175.873 0.227 1 1 702 . 7 1 1 A 61 61 VAL N N 61 127.661 126.955 0.706 1 1 703 . 7 1 1 A 61 61 VAL H H 61 9.107 8.771 0.336 1 1 704 . 7 1 1 A 61 61 VAL CA C 61 64.612 62.749 1.863 1 1 705 . 7 1 1 A 61 61 VAL HA H 61 3.957 4.322 -0.365 1 1 706 . 7 1 1 A 61 61 VAL CB C 61 31.875 32.461 -0.586 1 1 716 . 7 1 1 A 61 61 VAL C C 61 176.294 175.344 0.950 1 1 717 . 7 1 1 A 62 62 LEU N N 62 128.512 125.027 3.485 1 1 718 . 7 1 1 A 62 62 LEU H H 62 8.777 8.186 0.591 1 1 719 . 7 1 1 A 62 62 LEU CA C 62 54.677 53.927 0.750 1 1 720 . 7 1 1 A 62 62 LEU HA H 62 4.456 4.864 -0.408 1 1 721 . 7 1 1 A 62 62 LEU CB C 62 42.548 45.117 -2.569 1 1 734 . 7 1 1 A 62 62 LEU C C 62 176.888 175.281 1.607 1 1 735 . 7 1 1 A 63 63 ASP N N 63 122.605 124.388 -1.783 1 1 736 . 7 1 1 A 63 63 ASP H H 63 8.588 8.809 -0.221 1 1 737 . 7 1 1 A 63 63 ASP CA C 63 53.971 52.963 1.008 1 1 738 . 7 1 1 A 63 63 ASP HA H 63 4.643 4.817 -0.174 1 1 739 . 7 1 1 A 63 63 ASP CB C 63 41.629 40.644 0.985 1 1 742 . 7 1 1 A 63 63 ASP C C 63 176.460 175.741 0.719 1 1 743 . 7 1 1 A 64 64 GLU N N 64 122.614 115.164 7.450 1 1 744 . 7 1 1 A 64 64 GLU H H 64 8.634 8.029 0.605 1 1 745 . 7 1 1 A 64 64 GLU CA C 64 57.086 57.413 -0.327 1 1 746 . 7 1 1 A 64 64 GLU HA H 64 4.158 3.885 0.273 1 1 747 . 7 1 1 A 64 64 GLU CB C 64 30.055 27.235 2.820 1 1 753 . 7 1 1 A 64 64 GLU C C 64 176.801 175.133 1.668 1 1 754 . 7 1 1 A 65 65 ARG N N 65 120.526 117.323 3.203 1 1 755 . 7 1 1 A 65 65 ARG H H 65 8.416 7.734 0.682 1 1 756 . 7 1 1 A 65 65 ARG CA C 65 56.430 55.254 1.176 1 1 757 . 7 1 1 A 65 65 ARG HA H 65 4.323 4.351 -0.028 1 1 758 . 7 1 1 A 65 65 ARG CB C 65 30.493 31.168 -0.675 1 1 767 . 7 1 1 A 65 65 ARG C C 65 176.896 175.756 1.140 1 1 768 . 7 1 1 A 66 66 SER N N 66 116.214 112.557 3.657 1 1 769 . 7 1 1 A 66 66 SER H H 66 8.225 8.673 -0.448 1 1 770 . 7 1 1 A 66 66 SER CA C 66 58.732 59.048 -0.316 1 1 771 . 7 1 1 A 66 66 SER HA H 66 4.799 4.063 0.736 1 1 772 . 7 1 1 A 66 66 SER CB C 66 63.879 61.999 1.880 1 1 775 . 7 1 1 A 66 66 SER C C 66 175.225 172.780 2.445 1 1 776 . 7 1 1 A 67 67 LYS CA C 67 56.993 54.744 2.249 1 1 777 . 7 1 1 A 67 67 LYS HA H 67 4.270 4.824 -0.554 1 1 778 . 7 1 1 A 67 67 LYS CB C 67 32.724 34.519 -1.795 1 1 790 . 7 1 1 A 68 68 GLU N N 68 120.561 124.433 -3.872 1 1 791 . 7 1 1 A 68 68 GLU H H 68 8.417 8.995 -0.578 1 1 792 . 7 1 1 A 68 68 GLU CA C 68 57.144 56.622 0.522 1 1 793 . 7 1 1 A 68 68 GLU HA H 68 4.193 4.325 -0.132 1 1 794 . 7 1 1 A 68 68 GLU CB C 68 30.025 28.897 1.128 1 1 800 . 7 1 1 A 68 68 GLU C C 68 176.828 175.087 1.741 1 1 801 . 7 1 1 A 69 69 TYR N N 69 120.399 120.885 -0.486 1 1 802 . 7 1 1 A 69 69 TYR H H 69 8.027 7.898 0.129 1 1 803 . 7 1 1 A 69 69 TYR CA C 69 58.296 56.591 1.705 1 1 804 . 7 1 1 A 69 69 TYR HA H 69 4.504 5.152 -0.648 1 1 805 . 7 1 1 A 69 69 TYR CB C 69 38.965 42.966 -4.001 1 1 816 . 7 1 1 A 69 69 TYR C C 69 176.367 173.873 2.494 1 1 817 . 7 1 1 A 70 70 SER N N 70 117.031 115.969 1.062 1 1 818 . 7 1 1 A 70 70 SER H H 70 8.067 8.871 -0.804 1 1 819 . 7 1 1 A 70 70 SER CA C 70 58.167 57.316 0.851 1 1 820 . 7 1 1 A 70 70 SER HA H 70 4.441 5.369 -0.928 1 1 821 . 7 1 1 A 70 70 SER CB C 70 63.911 65.832 -1.921 1 1 824 . 7 1 1 A 70 70 SER C C 70 174.448 173.274 1.174 1 1 825 . 7 1 1 A 71 71 ILE N N 71 122.402 125.411 -3.009 1 1 826 . 7 1 1 A 71 71 ILE H H 71 8.083 9.123 -1.040 1 1 827 . 7 1 1 A 71 71 ILE CA C 71 61.411 60.493 0.918 1 1 828 . 7 1 1 A 71 71 ILE HA H 71 4.161 4.668 -0.507 1 1 829 . 7 1 1 A 71 71 ILE CB C 71 38.779 39.884 -1.105 1 1 842 . 7 1 1 A 71 71 ILE C C 71 176.172 174.357 1.815 1 1 843 . 7 1 1 A 72 72 ALA N N 72 127.574 131.070 -3.496 1 1 844 . 7 1 1 A 72 72 ALA H H 72 8.306 9.047 -0.741 1 1 845 . 7 1 1 A 72 72 ALA CA C 72 52.631 50.050 2.581 1 1 846 . 7 1 1 A 72 72 ALA HA H 72 4.366 5.397 -1.031 1 1 847 . 7 1 1 A 72 72 ALA CB C 72 19.242 21.372 -2.130 1 1 851 . 7 1 1 A 72 72 ALA C C 72 177.702 176.248 1.454 1 1 852 . 7 1 1 A 73 73 SER N N 73 115.199 117.723 -2.524 1 1 853 . 7 1 1 A 73 73 SER H H 73 8.223 8.537 -0.314 1 1 854 . 7 1 1 A 73 73 SER CA C 73 58.285 57.033 1.252 1 1 855 . 7 1 1 A 73 73 SER HA H 73 4.471 5.359 -0.888 1 1 856 . 7 1 1 A 73 73 SER CB C 73 64.233 66.680 -2.447 1 1 859 . 7 1 1 A 73 73 SER C C 73 174.639 174.068 0.571 1 1 860 . 7 1 1 A 74 74 GLY N N 74 110.616 109.741 0.875 1 1 861 . 7 1 1 A 74 74 GLY H H 74 8.185 8.268 -0.083 1 1 862 . 7 1 1 A 74 74 GLY CA C 74 44.677 46.163 -1.486 1 1 863 . 7 1 1 A 74 74 GLY HA2 H 74 4.171 4.177 -0.006 1 1 864 . 7 1 1 A 74 74 GLY HA3 H 74 4.107 4.177 -0.070 1 1 865 . 7 1 1 A 74 74 GLY C C 74 171.850 173.909 -2.059 1 1 866 . 7 1 1 A 75 75 PRO CA C 75 63.266 65.363 -2.097 1 1 867 . 7 1 1 A 75 75 PRO HA H 75 4.487 4.334 0.153 1 1 868 . 7 1 1 A 75 75 PRO CB C 75 32.196 31.296 0.900 1 1 877 . 7 1 1 A 76 76 SER N N 76 116.439 112.072 4.367 1 1 878 . 7 1 1 A 76 76 SER H H 76 8.562 8.400 0.162 1 1 879 . 7 1 1 A 76 76 SER CA C 76 58.747 61.328 -2.581 1 1 880 . 7 1 1 A 76 76 SER CB C 76 64.105 63.251 0.854 1 1 1 . 8 1 1 A 6 6 SER CA C 6 58.690 62.559 -3.869 1 1 2 . 8 1 1 A 6 6 SER HA H 6 4.411 4.257 0.154 1 1 3 . 8 1 1 A 7 7 GLY N N 7 110.826 108.966 1.860 1 1 4 . 8 1 1 A 7 7 GLY H H 7 8.436 7.703 0.733 1 1 5 . 8 1 1 A 7 7 GLY CA C 7 45.315 45.079 0.236 1 1 6 . 8 1 1 A 7 7 GLY HA2 H 7 4.029 4.016 0.013 1 1 7 . 8 1 1 A 7 7 GLY HA3 H 7 3.918 4.027 -0.109 1 1 8 . 8 1 1 A 7 7 GLY C C 7 173.788 172.914 0.874 1 1 9 . 8 1 1 A 8 8 ARG N N 8 120.458 121.642 -1.184 1 1 10 . 8 1 1 A 8 8 ARG H H 8 8.272 8.269 0.003 1 1 11 . 8 1 1 A 8 8 ARG CA C 8 55.715 54.127 1.588 1 1 12 . 8 1 1 A 8 8 ARG HA H 8 4.500 5.114 -0.614 1 1 13 . 8 1 1 A 8 8 ARG CB C 8 31.541 34.626 -3.085 1 1 22 . 8 1 1 A 8 8 ARG C C 8 175.201 175.295 -0.094 1 1 23 . 8 1 1 A 9 9 ARG N N 9 121.537 120.510 1.027 1 1 24 . 8 1 1 A 9 9 ARG H H 9 8.879 8.506 0.373 1 1 25 . 8 1 1 A 9 9 ARG CA C 9 54.737 54.169 0.568 1 1 26 . 8 1 1 A 9 9 ARG HA H 9 5.288 5.267 0.021 1 1 27 . 8 1 1 A 9 9 ARG CB C 9 34.064 34.261 -0.197 1 1 36 . 8 1 1 A 9 9 ARG C C 9 174.910 174.317 0.593 1 1 37 . 8 1 1 A 10 10 ALA N N 10 122.000 124.537 -2.537 1 1 38 . 8 1 1 A 10 10 ALA H H 10 9.200 8.838 0.362 1 1 39 . 8 1 1 A 10 10 ALA CA C 10 50.229 50.170 0.059 1 1 40 . 8 1 1 A 10 10 ALA HA H 10 5.143 5.455 -0.312 1 1 41 . 8 1 1 A 10 10 ALA CB C 10 23.552 22.881 0.671 1 1 45 . 8 1 1 A 10 10 ALA C C 10 173.920 174.778 -0.858 1 1 46 . 8 1 1 A 11 11 LYS N N 11 121.984 122.047 -0.063 1 1 47 . 8 1 1 A 11 11 LYS H H 11 8.962 8.564 0.398 1 1 48 . 8 1 1 A 11 11 LYS CA C 11 53.936 54.858 -0.922 1 1 49 . 8 1 1 A 11 11 LYS HA H 11 5.043 4.895 0.148 1 1 50 . 8 1 1 A 11 11 LYS CB C 11 35.705 34.667 1.038 1 1 62 . 8 1 1 A 11 11 LYS C C 11 176.193 176.303 -0.110 1 1 63 . 8 1 1 A 12 12 ALA N N 12 128.384 128.933 -0.549 1 1 64 . 8 1 1 A 12 12 ALA H H 12 8.974 8.924 0.050 1 1 65 . 8 1 1 A 12 12 ALA CA C 12 52.878 52.408 0.470 1 1 66 . 8 1 1 A 12 12 ALA HA H 12 4.271 4.402 -0.131 1 1 67 . 8 1 1 A 12 12 ALA CB C 12 21.024 18.701 2.323 1 1 71 . 8 1 1 A 12 12 ALA C C 12 179.524 177.698 1.826 1 1 72 . 8 1 1 A 13 13 LEU N N 13 126.125 125.402 0.723 1 1 73 . 8 1 1 A 13 13 LEU H H 13 9.490 8.723 0.767 1 1 74 . 8 1 1 A 13 13 LEU CA C 13 55.697 55.914 -0.217 1 1 75 . 8 1 1 A 13 13 LEU HA H 13 4.258 4.303 -0.045 1 1 76 . 8 1 1 A 13 13 LEU CB C 13 43.073 43.078 -0.005 1 1 89 . 8 1 1 A 13 13 LEU C C 13 175.705 176.891 -1.186 1 1 90 . 8 1 1 A 14 14 LEU N N 14 116.229 114.055 2.174 1 1 91 . 8 1 1 A 14 14 LEU H H 14 7.638 7.710 -0.072 1 1 92 . 8 1 1 A 14 14 LEU CA C 14 53.715 53.923 -0.208 1 1 93 . 8 1 1 A 14 14 LEU HA H 14 4.436 4.784 -0.348 1 1 94 . 8 1 1 A 14 14 LEU CB C 14 45.286 44.279 1.007 1 1 107 . 8 1 1 A 14 14 LEU C C 14 173.987 174.590 -0.603 1 1 108 . 8 1 1 A 15 15 ASP N N 15 116.528 121.062 -4.534 1 1 109 . 8 1 1 A 15 15 ASP H H 15 8.047 8.657 -0.610 1 1 110 . 8 1 1 A 15 15 ASP CA C 15 54.712 53.502 1.210 1 1 111 . 8 1 1 A 15 15 ASP HA H 15 4.628 5.134 -0.506 1 1 112 . 8 1 1 A 15 15 ASP CB C 15 41.437 42.472 -1.035 1 1 115 . 8 1 1 A 16 16 PHE N N 16 123.405 126.918 -3.513 1 1 116 . 8 1 1 A 16 16 PHE H H 16 8.414 8.209 0.205 1 1 117 . 8 1 1 A 16 16 PHE CA C 16 56.555 55.937 0.618 1 1 118 . 8 1 1 A 16 16 PHE HA H 16 4.576 5.036 -0.460 1 1 119 . 8 1 1 A 16 16 PHE CB C 16 41.647 41.463 0.184 1 1 132 . 8 1 1 A 17 17 GLU N N 17 127.173 125.250 1.923 1 1 133 . 8 1 1 A 17 17 GLU H H 17 7.775 8.362 -0.587 1 1 134 . 8 1 1 A 17 17 GLU CA C 17 54.469 55.089 -0.620 1 1 135 . 8 1 1 A 17 17 GLU HA H 17 4.025 4.253 -0.228 1 1 136 . 8 1 1 A 17 17 GLU CB C 17 30.119 29.861 0.258 1 1 142 . 8 1 1 A 17 17 GLU C C 17 174.327 175.544 -1.217 1 1 143 . 8 1 1 A 18 18 ARG N N 18 123.112 125.236 -2.124 1 1 144 . 8 1 1 A 18 18 ARG H H 18 7.721 8.106 -0.385 1 1 145 . 8 1 1 A 18 18 ARG CA C 18 55.738 55.775 -0.037 1 1 146 . 8 1 1 A 18 18 ARG HA H 18 3.665 3.692 -0.027 1 1 147 . 8 1 1 A 18 18 ARG CB C 18 30.846 30.350 0.496 1 1 156 . 8 1 1 A 18 18 ARG C C 18 175.954 176.678 -0.724 1 1 157 . 8 1 1 A 19 19 HIS N N 19 121.992 118.826 3.166 1 1 158 . 8 1 1 A 19 19 HIS H H 19 9.200 7.755 1.445 1 1 159 . 8 1 1 A 19 19 HIS CA C 19 56.774 56.520 0.254 1 1 160 . 8 1 1 A 19 19 HIS HA H 19 4.612 4.526 0.086 1 1 161 . 8 1 1 A 19 19 HIS CB C 19 30.061 30.422 -0.361 1 1 168 . 8 1 1 A 19 19 HIS C C 19 174.151 175.251 -1.100 1 1 169 . 8 1 1 A 20 20 ASP N N 20 119.946 118.548 1.398 1 1 170 . 8 1 1 A 20 20 ASP H H 20 8.160 7.317 0.843 1 1 171 . 8 1 1 A 20 20 ASP CA C 20 53.371 53.209 0.162 1 1 172 . 8 1 1 A 20 20 ASP HA H 20 4.785 4.878 -0.093 1 1 173 . 8 1 1 A 20 20 ASP CB C 20 43.492 43.039 0.453 1 1 176 . 8 1 1 A 20 20 ASP C C 20 176.571 175.978 0.593 1 1 177 . 8 1 1 A 21 21 ASP N N 21 119.329 124.305 -4.976 1 1 178 . 8 1 1 A 21 21 ASP H H 21 8.686 9.045 -0.359 1 1 179 . 8 1 1 A 21 21 ASP CA C 21 56.641 58.320 -1.679 1 1 180 . 8 1 1 A 21 21 ASP HA H 21 4.439 4.221 0.218 1 1 181 . 8 1 1 A 21 21 ASP CB C 21 40.977 41.160 -0.183 1 1 184 . 8 1 1 A 21 21 ASP C C 21 176.619 177.669 -1.050 1 1 185 . 8 1 1 A 22 22 ASP N N 22 116.501 116.262 0.239 1 1 186 . 8 1 1 A 22 22 ASP H H 22 8.702 8.706 -0.004 1 1 187 . 8 1 1 A 22 22 ASP CA C 22 54.535 57.145 -2.610 1 1 188 . 8 1 1 A 22 22 ASP HA H 22 4.769 4.511 0.258 1 1 189 . 8 1 1 A 22 22 ASP CB C 22 40.833 40.407 0.426 1 1 192 . 8 1 1 A 22 22 ASP C C 22 176.139 176.839 -0.700 1 1 193 . 8 1 1 A 23 23 GLU N N 23 119.696 119.951 -0.255 1 1 194 . 8 1 1 A 23 23 GLU H H 23 7.540 7.760 -0.220 1 1 195 . 8 1 1 A 23 23 GLU CA C 23 55.398 56.516 -1.118 1 1 196 . 8 1 1 A 23 23 GLU HA H 23 4.519 4.016 0.503 1 1 197 . 8 1 1 A 23 23 GLU CB C 23 32.584 29.792 2.792 1 1 203 . 8 1 1 A 23 23 GLU C C 23 175.760 176.299 -0.539 1 1 204 . 8 1 1 A 24 24 LEU N N 24 125.257 127.836 -2.579 1 1 205 . 8 1 1 A 24 24 LEU H H 24 8.766 8.822 -0.056 1 1 206 . 8 1 1 A 24 24 LEU CA C 24 53.525 54.157 -0.632 1 1 207 . 8 1 1 A 24 24 LEU HA H 24 4.410 4.860 -0.450 1 1 208 . 8 1 1 A 24 24 LEU CB C 24 44.685 43.490 1.195 1 1 221 . 8 1 1 A 24 24 LEU C C 24 173.987 176.360 -2.373 1 1 222 . 8 1 1 A 25 25 GLY N N 25 107.345 113.804 -6.459 1 1 223 . 8 1 1 A 25 25 GLY H H 25 7.584 8.832 -1.248 1 1 224 . 8 1 1 A 25 25 GLY CA C 25 44.096 44.303 -0.207 1 1 225 . 8 1 1 A 25 25 GLY HA2 H 25 3.361 3.763 -0.402 1 1 226 . 8 1 1 A 25 25 GLY HA3 H 25 4.260 3.858 0.402 1 1 227 . 8 1 1 A 25 25 GLY C C 25 173.720 172.987 0.733 1 1 228 . 8 1 1 A 26 26 PHE N N 26 114.043 115.492 -1.449 1 1 229 . 8 1 1 A 26 26 PHE H H 26 8.330 7.741 0.589 1 1 230 . 8 1 1 A 26 26 PHE CA C 26 56.440 56.381 0.059 1 1 231 . 8 1 1 A 26 26 PHE HA H 26 4.749 5.105 -0.356 1 1 232 . 8 1 1 A 26 26 PHE CB C 26 40.494 40.851 -0.357 1 1 245 . 8 1 1 A 26 26 PHE C C 26 174.820 172.367 2.453 1 1 246 . 8 1 1 A 27 27 ARG N N 27 120.928 118.791 2.137 1 1 247 . 8 1 1 A 27 27 ARG H H 27 9.597 8.676 0.921 1 1 248 . 8 1 1 A 27 27 ARG CA C 27 53.054 53.982 -0.928 1 1 249 . 8 1 1 A 27 27 ARG HA H 27 4.974 5.014 -0.040 1 1 250 . 8 1 1 A 27 27 ARG CB C 27 32.687 33.850 -1.163 1 1 259 . 8 1 1 A 27 27 ARG C C 27 175.511 175.560 -0.049 1 1 260 . 8 1 1 A 28 28 LYS N N 28 120.682 122.541 -1.859 1 1 261 . 8 1 1 A 28 28 LYS H H 28 8.922 8.625 0.297 1 1 262 . 8 1 1 A 28 28 LYS CA C 28 59.064 57.996 1.068 1 1 263 . 8 1 1 A 28 28 LYS HA H 28 3.220 4.024 -0.804 1 1 264 . 8 1 1 A 28 28 LYS CB C 28 32.826 32.402 0.424 1 1 276 . 8 1 1 A 28 28 LYS C C 28 177.019 177.263 -0.244 1 1 277 . 8 1 1 A 29 29 ASN N N 29 117.470 118.888 -1.418 1 1 278 . 8 1 1 A 29 29 ASN H H 29 8.728 9.121 -0.393 1 1 279 . 8 1 1 A 29 29 ASN CA C 29 56.477 54.259 2.218 1 1 280 . 8 1 1 A 29 29 ASN HA H 29 4.148 4.303 -0.155 1 1 281 . 8 1 1 A 29 29 ASN CB C 29 37.170 37.204 -0.034 1 1 287 . 8 1 1 A 29 29 ASN C C 29 174.716 173.668 1.048 1 1 288 . 8 1 1 A 30 30 ASP N N 30 122.549 116.675 5.874 1 1 289 . 8 1 1 A 30 30 ASP H H 30 8.527 7.661 0.866 1 1 290 . 8 1 1 A 30 30 ASP CA C 30 56.167 52.807 3.360 1 1 291 . 8 1 1 A 30 30 ASP HA H 30 4.596 5.164 -0.568 1 1 292 . 8 1 1 A 30 30 ASP CB C 30 41.797 43.782 -1.985 1 1 295 . 8 1 1 A 30 30 ASP C C 30 175.177 174.842 0.335 1 1 296 . 8 1 1 A 31 31 ILE N N 31 119.187 122.240 -3.053 1 1 297 . 8 1 1 A 31 31 ILE H H 31 8.267 8.652 -0.385 1 1 298 . 8 1 1 A 31 31 ILE CA C 31 59.191 60.219 -1.028 1 1 299 . 8 1 1 A 31 31 ILE HA H 31 4.819 4.774 0.045 1 1 300 . 8 1 1 A 31 31 ILE CB C 31 36.702 39.001 -2.299 1 1 313 . 8 1 1 A 31 31 ILE C C 31 175.437 175.235 0.202 1 1 314 . 8 1 1 A 32 32 ILE N N 32 129.566 127.662 1.904 1 1 315 . 8 1 1 A 32 32 ILE H H 32 9.247 8.964 0.283 1 1 316 . 8 1 1 A 32 32 ILE CA C 32 60.211 59.677 0.534 1 1 317 . 8 1 1 A 32 32 ILE HA H 32 4.140 4.853 -0.713 1 1 318 . 8 1 1 A 32 32 ILE CB C 32 41.978 41.440 0.538 1 1 331 . 8 1 1 A 32 32 ILE C C 32 176.197 175.084 1.113 1 1 332 . 8 1 1 A 33 33 THR N N 33 123.061 122.954 0.107 1 1 333 . 8 1 1 A 33 33 THR H H 33 8.741 8.363 0.378 1 1 334 . 8 1 1 A 33 33 THR CA C 33 63.117 62.806 0.311 1 1 335 . 8 1 1 A 33 33 THR HA H 33 4.583 4.563 0.020 1 1 336 . 8 1 1 A 33 33 THR CB C 33 69.626 69.598 0.028 1 1 342 . 8 1 1 A 33 33 THR C C 33 174.011 174.244 -0.233 1 1 343 . 8 1 1 A 34 34 ILE N N 34 128.281 126.276 2.005 1 1 344 . 8 1 1 A 34 34 ILE H H 34 9.110 9.126 -0.016 1 1 345 . 8 1 1 A 34 34 ILE CA C 34 61.566 60.715 0.851 1 1 346 . 8 1 1 A 34 34 ILE HA H 34 4.117 4.575 -0.458 1 1 347 . 8 1 1 A 34 34 ILE CB C 34 36.785 38.046 -1.261 1 1 360 . 8 1 1 A 34 34 ILE C C 34 175.420 175.509 -0.089 1 1 361 . 8 1 1 A 35 35 ILE N N 35 128.859 129.807 -0.948 1 1 362 . 8 1 1 A 35 35 ILE H H 35 9.359 9.008 0.351 1 1 363 . 8 1 1 A 35 35 ILE CA C 35 60.949 63.124 -2.175 1 1 364 . 8 1 1 A 35 35 ILE HA H 35 4.224 4.079 0.145 1 1 365 . 8 1 1 A 35 35 ILE CB C 35 38.186 38.416 -0.230 1 1 378 . 8 1 1 A 35 35 ILE C C 35 176.253 175.906 0.347 1 1 379 . 8 1 1 A 36 36 SER N N 36 111.665 113.283 -1.618 1 1 380 . 8 1 1 A 36 36 SER H H 36 7.882 7.801 0.081 1 1 381 . 8 1 1 A 36 36 SER CA C 36 57.605 56.407 1.198 1 1 382 . 8 1 1 A 36 36 SER HA H 36 4.525 4.834 -0.309 1 1 383 . 8 1 1 A 36 36 SER CB C 36 64.435 66.398 -1.963 1 1 386 . 8 1 1 A 36 36 SER C C 36 172.845 172.385 0.460 1 1 387 . 8 1 1 A 37 37 GLN N N 37 116.906 121.361 -4.455 1 1 388 . 8 1 1 A 37 37 GLN H H 37 8.055 8.514 -0.459 1 1 389 . 8 1 1 A 37 37 GLN CA C 37 54.718 54.122 0.596 1 1 390 . 8 1 1 A 37 37 GLN HA H 37 4.420 4.963 -0.543 1 1 391 . 8 1 1 A 37 37 GLN CB C 37 29.381 30.086 -0.705 1 1 400 . 8 1 1 A 37 37 GLN C C 37 175.080 175.831 -0.751 1 1 401 . 8 1 1 A 38 38 LYS N N 38 124.909 125.414 -0.505 1 1 402 . 8 1 1 A 38 38 LYS H H 38 8.046 8.690 -0.644 1 1 403 . 8 1 1 A 38 38 LYS CA C 38 58.998 58.404 0.594 1 1 404 . 8 1 1 A 38 38 LYS HA H 38 4.076 4.247 -0.171 1 1 405 . 8 1 1 A 38 38 LYS CB C 38 33.116 33.178 -0.062 1 1 417 . 8 1 1 A 38 38 LYS C C 38 176.508 175.889 0.619 1 1 418 . 8 1 1 A 39 39 ASP N N 39 117.133 117.748 -0.615 1 1 419 . 8 1 1 A 39 39 ASP H H 39 8.296 8.002 0.294 1 1 420 . 8 1 1 A 39 39 ASP CA C 39 53.294 52.225 1.069 1 1 421 . 8 1 1 A 39 39 ASP HA H 39 4.558 5.081 -0.523 1 1 422 . 8 1 1 A 39 39 ASP CB C 39 41.847 43.603 -1.756 1 1 425 . 8 1 1 A 39 39 ASP C C 39 175.201 176.320 -1.119 1 1 426 . 8 1 1 A 40 40 GLU N N 40 116.223 125.162 -8.939 1 1 427 . 8 1 1 A 40 40 GLU H H 40 8.564 9.046 -0.482 1 1 428 . 8 1 1 A 40 40 GLU CA C 40 58.748 59.580 -0.832 1 1 429 . 8 1 1 A 40 40 GLU HA H 40 4.088 4.251 -0.163 1 1 430 . 8 1 1 A 40 40 GLU CB C 40 29.696 29.186 0.510 1 1 436 . 8 1 1 A 40 40 GLU C C 40 176.367 177.830 -1.463 1 1 437 . 8 1 1 A 41 41 HIS N N 41 114.612 115.308 -0.696 1 1 438 . 8 1 1 A 41 41 HIS H H 41 8.383 7.752 0.631 1 1 439 . 8 1 1 A 41 41 HIS CA C 41 56.873 57.223 -0.350 1 1 440 . 8 1 1 A 41 41 HIS HA H 41 4.613 4.190 0.423 1 1 441 . 8 1 1 A 41 41 HIS CB C 41 32.910 31.356 1.554 1 1 448 . 8 1 1 A 41 41 HIS C C 41 176.755 175.118 1.637 1 1 449 . 8 1 1 A 42 42 CYS N N 42 122.290 117.527 4.763 1 1 450 . 8 1 1 A 42 42 CYS H H 42 8.337 7.688 0.649 1 1 451 . 8 1 1 A 42 42 CYS CA C 42 58.168 57.848 0.320 1 1 452 . 8 1 1 A 42 42 CYS HA H 42 4.885 4.469 0.416 1 1 453 . 8 1 1 A 42 42 CYS CB C 42 29.227 27.972 1.255 1 1 456 . 8 1 1 A 42 42 CYS C C 42 172.892 174.501 -1.609 1 1 457 . 8 1 1 A 43 43 TRP N N 43 127.114 125.162 1.952 1 1 458 . 8 1 1 A 43 43 TRP H H 43 8.333 8.399 -0.066 1 1 459 . 8 1 1 A 43 43 TRP CA C 43 53.262 55.461 -2.199 1 1 460 . 8 1 1 A 43 43 TRP HA H 43 5.307 5.219 0.088 1 1 461 . 8 1 1 A 43 43 TRP CB C 43 33.323 33.417 -0.094 1 1 476 . 8 1 1 A 43 43 TRP C C 43 173.064 175.344 -2.280 1 1 477 . 8 1 1 A 44 44 VAL N N 44 117.650 121.026 -3.376 1 1 478 . 8 1 1 A 44 44 VAL H H 44 8.591 8.895 -0.304 1 1 479 . 8 1 1 A 44 44 VAL CA C 44 61.801 61.118 0.683 1 1 480 . 8 1 1 A 44 44 VAL HA H 44 4.739 5.223 -0.484 1 1 481 . 8 1 1 A 44 44 VAL CB C 44 32.962 34.416 -1.454 1 1 491 . 8 1 1 A 44 44 VAL C C 44 176.980 175.340 1.640 1 1 492 . 8 1 1 A 45 45 GLY N N 45 115.010 115.178 -0.168 1 1 493 . 8 1 1 A 45 45 GLY H H 45 9.469 8.804 0.665 1 1 494 . 8 1 1 A 45 45 GLY CA C 45 45.159 44.762 0.397 1 1 495 . 8 1 1 A 45 45 GLY HA2 H 45 3.769 4.473 -0.704 1 1 496 . 8 1 1 A 45 45 GLY HA3 H 45 5.478 4.624 0.854 1 1 497 . 8 1 1 A 45 45 GLY C C 45 170.022 172.545 -2.523 1 1 498 . 8 1 1 A 46 46 GLU N N 46 118.202 120.323 -2.121 1 1 499 . 8 1 1 A 46 46 GLU H H 46 9.072 8.936 0.136 1 1 500 . 8 1 1 A 46 46 GLU CA C 46 54.226 55.401 -1.175 1 1 501 . 8 1 1 A 46 46 GLU HA H 46 5.720 5.590 0.130 1 1 502 . 8 1 1 A 46 46 GLU CB C 46 34.724 32.934 1.790 1 1 508 . 8 1 1 A 46 46 GLU C C 46 174.843 174.785 0.058 1 1 509 . 8 1 1 A 47 47 LEU N N 47 125.182 126.737 -1.555 1 1 510 . 8 1 1 A 47 47 LEU H H 47 8.880 8.717 0.163 1 1 511 . 8 1 1 A 47 47 LEU CA C 47 55.064 53.794 1.270 1 1 512 . 8 1 1 A 47 47 LEU HA H 47 4.711 4.590 0.121 1 1 513 . 8 1 1 A 47 47 LEU CB C 47 45.900 45.187 0.713 1 1 526 . 8 1 1 A 47 47 LEU C C 47 176.130 175.143 0.987 1 1 527 . 8 1 1 A 48 48 ASN N N 48 127.515 123.807 3.708 1 1 528 . 8 1 1 A 48 48 ASN H H 48 9.796 9.296 0.500 1 1 529 . 8 1 1 A 48 48 ASN CA C 48 54.407 54.460 -0.053 1 1 530 . 8 1 1 A 48 48 ASN HA H 48 4.457 4.457 0.000 1 1 531 . 8 1 1 A 48 48 ASN CB C 48 37.546 37.132 0.414 1 1 537 . 8 1 1 A 48 48 ASN C C 48 174.935 175.533 -0.598 1 1 538 . 8 1 1 A 49 49 GLY N N 49 104.068 104.309 -0.241 1 1 539 . 8 1 1 A 49 49 GLY H H 49 8.891 8.692 0.199 1 1 540 . 8 1 1 A 49 49 GLY CA C 49 45.471 46.161 -0.690 1 1 541 . 8 1 1 A 49 49 GLY HA2 H 49 3.621 3.932 -0.311 1 1 542 . 8 1 1 A 49 49 GLY HA3 H 49 4.230 3.935 0.295 1 1 543 . 8 1 1 A 49 49 GLY C C 49 173.671 173.883 -0.212 1 1 544 . 8 1 1 A 50 50 LEU N N 50 122.996 120.335 2.661 1 1 545 . 8 1 1 A 50 50 LEU H H 50 7.818 8.159 -0.341 1 1 546 . 8 1 1 A 50 50 LEU CA C 50 53.971 53.200 0.771 1 1 547 . 8 1 1 A 50 50 LEU HA H 50 4.727 4.972 -0.245 1 1 548 . 8 1 1 A 50 50 LEU CB C 50 43.482 45.384 -1.902 1 1 561 . 8 1 1 A 50 50 LEU C C 50 174.930 175.391 -0.461 1 1 562 . 8 1 1 A 51 51 ARG N N 51 119.072 119.965 -0.893 1 1 563 . 8 1 1 A 51 51 ARG H H 51 8.410 8.589 -0.179 1 1 564 . 8 1 1 A 51 51 ARG CA C 51 54.020 54.691 -0.671 1 1 565 . 8 1 1 A 51 51 ARG HA H 51 5.843 5.372 0.471 1 1 566 . 8 1 1 A 51 51 ARG CB C 51 34.724 33.139 1.585 1 1 575 . 8 1 1 A 51 51 ARG C C 51 176.707 175.828 0.879 1 1 576 . 8 1 1 A 52 52 GLY N N 52 109.058 109.997 -0.939 1 1 577 . 8 1 1 A 52 52 GLY H H 52 8.661 8.197 0.464 1 1 578 . 8 1 1 A 52 52 GLY CA C 52 45.683 46.185 -0.502 1 1 579 . 8 1 1 A 52 52 GLY HA2 H 52 3.975 4.480 -0.505 1 1 580 . 8 1 1 A 52 52 GLY HA3 H 52 4.248 4.483 -0.235 1 1 581 . 8 1 1 A 52 52 GLY C C 52 171.261 172.657 -1.396 1 1 582 . 8 1 1 A 53 53 TRP N N 53 119.558 117.982 1.576 1 1 583 . 8 1 1 A 53 53 TRP H H 53 8.825 9.071 -0.246 1 1 584 . 8 1 1 A 53 53 TRP CA C 53 55.402 54.825 0.577 1 1 585 . 8 1 1 A 53 53 TRP HA H 53 6.222 6.009 0.213 1 1 586 . 8 1 1 A 53 53 TRP CB C 53 31.856 33.005 -1.149 1 1 601 . 8 1 1 A 53 53 TRP C C 53 176.100 174.876 1.224 1 1 602 . 8 1 1 A 54 54 PHE N N 54 115.426 115.722 -0.296 1 1 603 . 8 1 1 A 54 54 PHE H H 54 8.976 8.560 0.416 1 1 604 . 8 1 1 A 54 54 PHE CA C 54 55.805 55.401 0.404 1 1 605 . 8 1 1 A 54 54 PHE HA H 54 4.833 4.527 0.306 1 1 606 . 8 1 1 A 54 54 PHE CB C 54 39.295 39.522 -0.227 1 1 619 . 8 1 1 A 54 54 PHE C C 54 171.898 171.888 0.010 1 1 620 . 8 1 1 A 55 55 PRO CA C 55 61.963 62.649 -0.686 1 1 621 . 8 1 1 A 55 55 PRO HA H 55 4.654 4.632 0.022 1 1 622 . 8 1 1 A 55 55 PRO CB C 55 31.179 31.507 -0.328 1 1 631 . 8 1 1 A 55 55 PRO C C 55 177.168 177.678 -0.510 1 1 632 . 8 1 1 A 56 56 ALA N N 56 130.132 128.014 2.118 1 1 633 . 8 1 1 A 56 56 ALA H H 56 7.818 8.453 -0.635 1 1 634 . 8 1 1 A 56 56 ALA CA C 56 55.045 54.851 0.194 1 1 635 . 8 1 1 A 56 56 ALA HA H 56 3.032 4.008 -0.976 1 1 636 . 8 1 1 A 56 56 ALA CB C 56 16.542 17.151 -0.609 1 1 640 . 8 1 1 A 56 56 ALA C C 56 178.595 179.903 -1.308 1 1 641 . 8 1 1 A 57 57 LYS N N 57 110.974 116.214 -5.240 1 1 642 . 8 1 1 A 57 57 LYS H H 57 8.024 8.023 0.001 1 1 643 . 8 1 1 A 57 57 LYS CA C 57 57.118 58.484 -1.366 1 1 644 . 8 1 1 A 57 57 LYS HA H 57 4.213 4.114 0.099 1 1 645 . 8 1 1 A 57 57 LYS CB C 57 31.641 31.877 -0.236 1 1 657 . 8 1 1 A 57 57 LYS C C 57 177.053 178.229 -1.176 1 1 658 . 8 1 1 A 58 58 PHE N N 58 118.768 117.872 0.896 1 1 659 . 8 1 1 A 58 58 PHE H H 58 7.911 8.012 -0.101 1 1 660 . 8 1 1 A 58 58 PHE CA C 58 56.933 60.627 -3.694 1 1 661 . 8 1 1 A 58 58 PHE HA H 58 4.739 4.361 0.378 1 1 662 . 8 1 1 A 58 58 PHE CB C 58 38.643 39.828 -1.185 1 1 675 . 8 1 1 A 58 58 PHE C C 58 174.837 175.866 -1.029 1 1 676 . 8 1 1 A 59 59 VAL N N 59 109.843 113.982 -4.139 1 1 677 . 8 1 1 A 59 59 VAL H H 59 7.796 7.313 0.483 1 1 678 . 8 1 1 A 59 59 VAL CA C 59 58.332 59.450 -1.118 1 1 679 . 8 1 1 A 59 59 VAL HA H 59 5.333 4.747 0.586 1 1 680 . 8 1 1 A 59 59 VAL CB C 59 35.704 34.302 1.402 1 1 690 . 8 1 1 A 59 59 VAL C C 59 173.452 174.131 -0.679 1 1 691 . 8 1 1 A 60 60 GLU N N 60 119.932 121.076 -1.144 1 1 692 . 8 1 1 A 60 60 GLU H H 60 8.699 9.136 -0.437 1 1 693 . 8 1 1 A 60 60 GLU CA C 60 54.202 54.620 -0.418 1 1 694 . 8 1 1 A 60 60 GLU HA H 60 4.863 5.227 -0.364 1 1 695 . 8 1 1 A 60 60 GLU CB C 60 33.573 33.331 0.242 1 1 701 . 8 1 1 A 60 60 GLU C C 60 176.100 175.968 0.132 1 1 702 . 8 1 1 A 61 61 VAL N N 61 127.661 126.954 0.707 1 1 703 . 8 1 1 A 61 61 VAL H H 61 9.107 8.753 0.354 1 1 704 . 8 1 1 A 61 61 VAL CA C 61 64.612 62.920 1.692 1 1 705 . 8 1 1 A 61 61 VAL HA H 61 3.957 4.349 -0.392 1 1 706 . 8 1 1 A 61 61 VAL CB C 61 31.875 32.337 -0.462 1 1 716 . 8 1 1 A 61 61 VAL C C 61 176.294 175.490 0.804 1 1 717 . 8 1 1 A 62 62 LEU N N 62 128.512 125.747 2.765 1 1 718 . 8 1 1 A 62 62 LEU H H 62 8.777 8.642 0.135 1 1 719 . 8 1 1 A 62 62 LEU CA C 62 54.677 53.193 1.484 1 1 720 . 8 1 1 A 62 62 LEU HA H 62 4.456 4.947 -0.491 1 1 721 . 8 1 1 A 62 62 LEU CB C 62 42.548 44.531 -1.983 1 1 734 . 8 1 1 A 62 62 LEU C C 62 176.888 175.893 0.995 1 1 735 . 8 1 1 A 63 63 ASP N N 63 122.605 125.401 -2.796 1 1 736 . 8 1 1 A 63 63 ASP H H 63 8.588 9.013 -0.425 1 1 737 . 8 1 1 A 63 63 ASP CA C 63 53.971 53.764 0.207 1 1 738 . 8 1 1 A 63 63 ASP HA H 63 4.643 4.832 -0.189 1 1 739 . 8 1 1 A 63 63 ASP CB C 63 41.629 40.745 0.884 1 1 742 . 8 1 1 A 63 63 ASP C C 63 176.460 174.725 1.735 1 1 743 . 8 1 1 A 64 64 GLU N N 64 122.614 115.285 7.329 1 1 744 . 8 1 1 A 64 64 GLU H H 64 8.634 7.962 0.672 1 1 745 . 8 1 1 A 64 64 GLU CA C 64 57.086 57.414 -0.328 1 1 746 . 8 1 1 A 64 64 GLU HA H 64 4.158 3.891 0.267 1 1 747 . 8 1 1 A 64 64 GLU CB C 64 30.055 27.569 2.486 1 1 753 . 8 1 1 A 64 64 GLU C C 64 176.801 174.562 2.239 1 1 754 . 8 1 1 A 65 65 ARG N N 65 120.526 119.755 0.771 1 1 755 . 8 1 1 A 65 65 ARG H H 65 8.416 7.731 0.685 1 1 756 . 8 1 1 A 65 65 ARG CA C 65 56.430 54.996 1.434 1 1 757 . 8 1 1 A 65 65 ARG HA H 65 4.323 4.798 -0.475 1 1 758 . 8 1 1 A 65 65 ARG CB C 65 30.493 31.662 -1.169 1 1 767 . 8 1 1 A 65 65 ARG C C 65 176.896 175.164 1.732 1 1 768 . 8 1 1 A 66 66 SER N N 66 116.214 120.924 -4.710 1 1 769 . 8 1 1 A 66 66 SER H H 66 8.225 8.778 -0.553 1 1 770 . 8 1 1 A 66 66 SER CA C 66 58.732 56.810 1.922 1 1 771 . 8 1 1 A 66 66 SER HA H 66 4.799 4.904 -0.105 1 1 772 . 8 1 1 A 66 66 SER CB C 66 63.879 64.929 -1.050 1 1 775 . 8 1 1 A 66 66 SER C C 66 175.225 171.784 3.441 1 1 776 . 8 1 1 A 67 67 LYS CA C 67 56.993 54.857 2.136 1 1 777 . 8 1 1 A 67 67 LYS HA H 67 4.270 5.190 -0.920 1 1 778 . 8 1 1 A 67 67 LYS CB C 67 32.724 36.462 -3.738 1 1 790 . 8 1 1 A 68 68 GLU N N 68 120.561 125.144 -4.583 1 1 791 . 8 1 1 A 68 68 GLU H H 68 8.417 8.956 -0.539 1 1 792 . 8 1 1 A 68 68 GLU CA C 68 57.144 54.721 2.423 1 1 793 . 8 1 1 A 68 68 GLU HA H 68 4.193 5.177 -0.984 1 1 794 . 8 1 1 A 68 68 GLU CB C 68 30.025 33.327 -3.302 1 1 800 . 8 1 1 A 68 68 GLU C C 68 176.828 174.827 2.001 1 1 801 . 8 1 1 A 69 69 TYR N N 69 120.399 127.548 -7.149 1 1 802 . 8 1 1 A 69 69 TYR H H 69 8.027 9.220 -1.193 1 1 803 . 8 1 1 A 69 69 TYR CA C 69 58.296 57.827 0.469 1 1 804 . 8 1 1 A 69 69 TYR HA H 69 4.504 4.921 -0.417 1 1 805 . 8 1 1 A 69 69 TYR CB C 69 38.965 39.906 -0.941 1 1 816 . 8 1 1 A 69 69 TYR C C 69 176.367 175.800 0.567 1 1 817 . 8 1 1 A 70 70 SER N N 70 117.031 117.907 -0.876 1 1 818 . 8 1 1 A 70 70 SER H H 70 8.067 8.643 -0.576 1 1 819 . 8 1 1 A 70 70 SER CA C 70 58.167 58.493 -0.326 1 1 820 . 8 1 1 A 70 70 SER HA H 70 4.441 4.460 -0.019 1 1 821 . 8 1 1 A 70 70 SER CB C 70 63.911 63.831 0.080 1 1 824 . 8 1 1 A 70 70 SER C C 70 174.448 174.343 0.105 1 1 825 . 8 1 1 A 71 71 ILE N N 71 122.402 123.871 -1.469 1 1 826 . 8 1 1 A 71 71 ILE H H 71 8.083 8.344 -0.261 1 1 827 . 8 1 1 A 71 71 ILE CA C 71 61.411 62.405 -0.994 1 1 828 . 8 1 1 A 71 71 ILE HA H 71 4.161 4.003 0.158 1 1 829 . 8 1 1 A 71 71 ILE CB C 71 38.779 38.282 0.497 1 1 842 . 8 1 1 A 71 71 ILE C C 71 176.172 176.393 -0.221 1 1 843 . 8 1 1 A 72 72 ALA N N 72 127.574 129.959 -2.385 1 1 844 . 8 1 1 A 72 72 ALA H H 72 8.306 8.546 -0.240 1 1 845 . 8 1 1 A 72 72 ALA CA C 72 52.631 51.357 1.274 1 1 846 . 8 1 1 A 72 72 ALA HA H 72 4.366 4.781 -0.415 1 1 847 . 8 1 1 A 72 72 ALA CB C 72 19.242 20.242 -1.000 1 1 851 . 8 1 1 A 72 72 ALA C C 72 177.702 177.079 0.623 1 1 852 . 8 1 1 A 73 73 SER N N 73 115.199 116.396 -1.197 1 1 853 . 8 1 1 A 73 73 SER H H 73 8.223 8.726 -0.503 1 1 854 . 8 1 1 A 73 73 SER CA C 73 58.285 59.702 -1.417 1 1 855 . 8 1 1 A 73 73 SER HA H 73 4.471 4.232 0.239 1 1 856 . 8 1 1 A 73 73 SER CB C 73 64.233 63.041 1.192 1 1 859 . 8 1 1 A 73 73 SER C C 73 174.639 174.019 0.620 1 1 860 . 8 1 1 A 74 74 GLY N N 74 110.616 112.971 -2.355 1 1 861 . 8 1 1 A 74 74 GLY H H 74 8.185 8.495 -0.310 1 1 862 . 8 1 1 A 74 74 GLY CA C 74 44.677 44.560 0.117 1 1 863 . 8 1 1 A 74 74 GLY HA2 H 74 4.171 4.167 0.004 1 1 864 . 8 1 1 A 74 74 GLY HA3 H 74 4.107 4.167 -0.060 1 1 865 . 8 1 1 A 74 74 GLY C C 74 171.850 172.163 -0.313 1 1 866 . 8 1 1 A 75 75 PRO CA C 75 63.266 62.837 0.429 1 1 867 . 8 1 1 A 75 75 PRO HA H 75 4.487 4.547 -0.060 1 1 868 . 8 1 1 A 75 75 PRO CB C 75 32.196 31.636 0.560 1 1 877 . 8 1 1 A 76 76 SER N N 76 116.439 115.452 0.987 1 1 878 . 8 1 1 A 76 76 SER H H 76 8.562 8.561 0.001 1 1 879 . 8 1 1 A 76 76 SER CA C 76 58.747 59.333 -0.586 1 1 880 . 8 1 1 A 76 76 SER CB C 76 64.105 63.450 0.655 1 1 1 . 9 1 1 A 6 6 SER CA C 6 58.690 57.862 0.828 1 1 2 . 9 1 1 A 6 6 SER HA H 6 4.411 4.692 -0.281 1 1 3 . 9 1 1 A 7 7 GLY N N 7 110.826 109.629 1.197 1 1 4 . 9 1 1 A 7 7 GLY H H 7 8.436 8.063 0.373 1 1 5 . 9 1 1 A 7 7 GLY CA C 7 45.315 45.128 0.187 1 1 6 . 9 1 1 A 7 7 GLY HA2 H 7 4.029 3.937 0.092 1 1 7 . 9 1 1 A 7 7 GLY HA3 H 7 3.918 3.943 -0.025 1 1 8 . 9 1 1 A 7 7 GLY C C 7 173.788 173.383 0.405 1 1 9 . 9 1 1 A 8 8 ARG N N 8 120.458 124.296 -3.838 1 1 10 . 9 1 1 A 8 8 ARG H H 8 8.272 8.569 -0.297 1 1 11 . 9 1 1 A 8 8 ARG CA C 8 55.715 54.079 1.636 1 1 12 . 9 1 1 A 8 8 ARG HA H 8 4.500 5.072 -0.572 1 1 13 . 9 1 1 A 8 8 ARG CB C 8 31.541 34.038 -2.497 1 1 22 . 9 1 1 A 8 8 ARG C C 8 175.201 175.201 0.000 1 1 23 . 9 1 1 A 9 9 ARG N N 9 121.537 120.285 1.252 1 1 24 . 9 1 1 A 9 9 ARG H H 9 8.879 8.539 0.340 1 1 25 . 9 1 1 A 9 9 ARG CA C 9 54.737 54.390 0.347 1 1 26 . 9 1 1 A 9 9 ARG HA H 9 5.288 5.251 0.037 1 1 27 . 9 1 1 A 9 9 ARG CB C 9 34.064 33.764 0.300 1 1 36 . 9 1 1 A 9 9 ARG C C 9 174.910 174.298 0.612 1 1 37 . 9 1 1 A 10 10 ALA N N 10 122.000 125.223 -3.223 1 1 38 . 9 1 1 A 10 10 ALA H H 10 9.200 9.062 0.138 1 1 39 . 9 1 1 A 10 10 ALA CA C 10 50.229 49.975 0.254 1 1 40 . 9 1 1 A 10 10 ALA HA H 10 5.143 5.610 -0.467 1 1 41 . 9 1 1 A 10 10 ALA CB C 10 23.552 22.499 1.053 1 1 45 . 9 1 1 A 10 10 ALA C C 10 173.920 175.068 -1.148 1 1 46 . 9 1 1 A 11 11 LYS N N 11 121.984 122.463 -0.479 1 1 47 . 9 1 1 A 11 11 LYS H H 11 8.962 8.874 0.088 1 1 48 . 9 1 1 A 11 11 LYS CA C 11 53.936 54.899 -0.963 1 1 49 . 9 1 1 A 11 11 LYS HA H 11 5.043 4.826 0.217 1 1 50 . 9 1 1 A 11 11 LYS CB C 11 35.705 34.648 1.057 1 1 62 . 9 1 1 A 11 11 LYS C C 11 176.193 176.406 -0.213 1 1 63 . 9 1 1 A 12 12 ALA N N 12 128.384 128.834 -0.450 1 1 64 . 9 1 1 A 12 12 ALA H H 12 8.974 8.962 0.012 1 1 65 . 9 1 1 A 12 12 ALA CA C 12 52.878 52.572 0.306 1 1 66 . 9 1 1 A 12 12 ALA HA H 12 4.271 4.300 -0.029 1 1 67 . 9 1 1 A 12 12 ALA CB C 12 21.024 18.977 2.047 1 1 71 . 9 1 1 A 12 12 ALA C C 12 179.524 177.110 2.414 1 1 72 . 9 1 1 A 13 13 LEU N N 13 126.125 124.930 1.195 1 1 73 . 9 1 1 A 13 13 LEU H H 13 9.490 9.084 0.406 1 1 74 . 9 1 1 A 13 13 LEU CA C 13 55.697 56.114 -0.417 1 1 75 . 9 1 1 A 13 13 LEU HA H 13 4.258 4.381 -0.123 1 1 76 . 9 1 1 A 13 13 LEU CB C 13 43.073 42.654 0.419 1 1 89 . 9 1 1 A 13 13 LEU C C 13 175.705 177.011 -1.306 1 1 90 . 9 1 1 A 14 14 LEU N N 14 116.229 113.706 2.523 1 1 91 . 9 1 1 A 14 14 LEU H H 14 7.638 7.643 -0.005 1 1 92 . 9 1 1 A 14 14 LEU CA C 14 53.715 53.430 0.285 1 1 93 . 9 1 1 A 14 14 LEU HA H 14 4.436 4.805 -0.369 1 1 94 . 9 1 1 A 14 14 LEU CB C 14 45.286 44.250 1.036 1 1 107 . 9 1 1 A 14 14 LEU C C 14 173.987 175.229 -1.242 1 1 108 . 9 1 1 A 15 15 ASP N N 15 116.528 119.706 -3.178 1 1 109 . 9 1 1 A 15 15 ASP H H 15 8.047 8.592 -0.545 1 1 110 . 9 1 1 A 15 15 ASP CA C 15 54.712 53.291 1.421 1 1 111 . 9 1 1 A 15 15 ASP HA H 15 4.628 5.028 -0.400 1 1 112 . 9 1 1 A 15 15 ASP CB C 15 41.437 41.482 -0.045 1 1 115 . 9 1 1 A 16 16 PHE N N 16 123.405 125.401 -1.996 1 1 116 . 9 1 1 A 16 16 PHE H H 16 8.414 9.027 -0.613 1 1 117 . 9 1 1 A 16 16 PHE CA C 16 56.555 55.143 1.412 1 1 118 . 9 1 1 A 16 16 PHE HA H 16 4.576 5.071 -0.495 1 1 119 . 9 1 1 A 16 16 PHE CB C 16 41.647 40.076 1.571 1 1 132 . 9 1 1 A 17 17 GLU N N 17 127.173 126.079 1.094 1 1 133 . 9 1 1 A 17 17 GLU H H 17 7.775 8.604 -0.829 1 1 134 . 9 1 1 A 17 17 GLU CA C 17 54.469 55.542 -1.073 1 1 135 . 9 1 1 A 17 17 GLU HA H 17 4.025 4.325 -0.300 1 1 136 . 9 1 1 A 17 17 GLU CB C 17 30.119 30.003 0.116 1 1 142 . 9 1 1 A 17 17 GLU C C 17 174.327 175.577 -1.250 1 1 143 . 9 1 1 A 18 18 ARG N N 18 123.112 125.419 -2.307 1 1 144 . 9 1 1 A 18 18 ARG H H 18 7.721 8.145 -0.424 1 1 145 . 9 1 1 A 18 18 ARG CA C 18 55.738 56.008 -0.270 1 1 146 . 9 1 1 A 18 18 ARG HA H 18 3.665 3.809 -0.144 1 1 147 . 9 1 1 A 18 18 ARG CB C 18 30.846 30.503 0.343 1 1 156 . 9 1 1 A 18 18 ARG C C 18 175.954 176.821 -0.867 1 1 157 . 9 1 1 A 19 19 HIS N N 19 121.992 119.027 2.965 1 1 158 . 9 1 1 A 19 19 HIS H H 19 9.200 8.268 0.932 1 1 159 . 9 1 1 A 19 19 HIS CA C 19 56.774 56.620 0.154 1 1 160 . 9 1 1 A 19 19 HIS HA H 19 4.612 4.515 0.097 1 1 161 . 9 1 1 A 19 19 HIS CB C 19 30.061 30.170 -0.109 1 1 168 . 9 1 1 A 19 19 HIS C C 19 174.151 174.112 0.039 1 1 169 . 9 1 1 A 20 20 ASP N N 20 119.946 119.549 0.397 1 1 170 . 9 1 1 A 20 20 ASP H H 20 8.160 7.271 0.889 1 1 171 . 9 1 1 A 20 20 ASP CA C 20 53.371 52.414 0.957 1 1 172 . 9 1 1 A 20 20 ASP HA H 20 4.785 4.706 0.079 1 1 173 . 9 1 1 A 20 20 ASP CB C 20 43.492 42.227 1.265 1 1 176 . 9 1 1 A 20 20 ASP C C 20 176.571 175.978 0.593 1 1 177 . 9 1 1 A 21 21 ASP N N 21 119.329 124.815 -5.486 1 1 178 . 9 1 1 A 21 21 ASP H H 21 8.686 8.954 -0.268 1 1 179 . 9 1 1 A 21 21 ASP CA C 21 56.641 57.454 -0.813 1 1 180 . 9 1 1 A 21 21 ASP HA H 21 4.439 4.258 0.181 1 1 181 . 9 1 1 A 21 21 ASP CB C 21 40.977 40.191 0.786 1 1 184 . 9 1 1 A 21 21 ASP C C 21 176.619 178.221 -1.602 1 1 185 . 9 1 1 A 22 22 ASP N N 22 116.501 116.633 -0.132 1 1 186 . 9 1 1 A 22 22 ASP H H 22 8.702 8.104 0.598 1 1 187 . 9 1 1 A 22 22 ASP CA C 22 54.535 57.185 -2.650 1 1 188 . 9 1 1 A 22 22 ASP HA H 22 4.769 4.513 0.256 1 1 189 . 9 1 1 A 22 22 ASP CB C 22 40.833 40.309 0.524 1 1 192 . 9 1 1 A 22 22 ASP C C 22 176.139 176.909 -0.770 1 1 193 . 9 1 1 A 23 23 GLU N N 23 119.696 120.165 -0.469 1 1 194 . 9 1 1 A 23 23 GLU H H 23 7.540 7.928 -0.388 1 1 195 . 9 1 1 A 23 23 GLU CA C 23 55.398 57.410 -2.012 1 1 196 . 9 1 1 A 23 23 GLU HA H 23 4.519 3.940 0.579 1 1 197 . 9 1 1 A 23 23 GLU CB C 23 32.584 29.908 2.676 1 1 203 . 9 1 1 A 23 23 GLU C C 23 175.760 175.815 -0.055 1 1 204 . 9 1 1 A 24 24 LEU N N 24 125.257 126.362 -1.105 1 1 205 . 9 1 1 A 24 24 LEU H H 24 8.766 9.113 -0.347 1 1 206 . 9 1 1 A 24 24 LEU CA C 24 53.525 53.890 -0.365 1 1 207 . 9 1 1 A 24 24 LEU HA H 24 4.410 5.006 -0.596 1 1 208 . 9 1 1 A 24 24 LEU CB C 24 44.685 44.319 0.366 1 1 221 . 9 1 1 A 24 24 LEU C C 24 173.987 176.122 -2.135 1 1 222 . 9 1 1 A 25 25 GLY N N 25 107.345 114.255 -6.910 1 1 223 . 9 1 1 A 25 25 GLY H H 25 7.584 8.899 -1.315 1 1 224 . 9 1 1 A 25 25 GLY CA C 25 44.096 44.750 -0.654 1 1 225 . 9 1 1 A 25 25 GLY HA2 H 25 3.361 3.729 -0.368 1 1 226 . 9 1 1 A 25 25 GLY HA3 H 25 4.260 3.862 0.398 1 1 227 . 9 1 1 A 25 25 GLY C C 25 173.720 172.737 0.983 1 1 228 . 9 1 1 A 26 26 PHE N N 26 114.043 115.631 -1.588 1 1 229 . 9 1 1 A 26 26 PHE H H 26 8.330 8.548 -0.218 1 1 230 . 9 1 1 A 26 26 PHE CA C 26 56.440 56.526 -0.086 1 1 231 . 9 1 1 A 26 26 PHE HA H 26 4.749 5.079 -0.330 1 1 232 . 9 1 1 A 26 26 PHE CB C 26 40.494 40.544 -0.050 1 1 245 . 9 1 1 A 26 26 PHE C C 26 174.820 172.533 2.287 1 1 246 . 9 1 1 A 27 27 ARG N N 27 120.928 120.238 0.690 1 1 247 . 9 1 1 A 27 27 ARG H H 27 9.597 8.583 1.014 1 1 248 . 9 1 1 A 27 27 ARG CA C 27 53.054 54.859 -1.805 1 1 249 . 9 1 1 A 27 27 ARG HA H 27 4.974 4.729 0.245 1 1 250 . 9 1 1 A 27 27 ARG CB C 27 32.687 31.970 0.717 1 1 259 . 9 1 1 A 27 27 ARG C C 27 175.511 175.915 -0.404 1 1 260 . 9 1 1 A 28 28 LYS N N 28 120.682 122.093 -1.411 1 1 261 . 9 1 1 A 28 28 LYS H H 28 8.922 8.618 0.304 1 1 262 . 9 1 1 A 28 28 LYS CA C 28 59.064 57.662 1.402 1 1 263 . 9 1 1 A 28 28 LYS HA H 28 3.220 4.029 -0.809 1 1 264 . 9 1 1 A 28 28 LYS CB C 28 32.826 32.567 0.259 1 1 276 . 9 1 1 A 28 28 LYS C C 28 177.019 177.284 -0.265 1 1 277 . 9 1 1 A 29 29 ASN N N 29 117.470 118.975 -1.505 1 1 278 . 9 1 1 A 29 29 ASN H H 29 8.728 9.062 -0.334 1 1 279 . 9 1 1 A 29 29 ASN CA C 29 56.477 54.298 2.179 1 1 280 . 9 1 1 A 29 29 ASN HA H 29 4.148 4.440 -0.292 1 1 281 . 9 1 1 A 29 29 ASN CB C 29 37.170 37.386 -0.216 1 1 287 . 9 1 1 A 29 29 ASN C C 29 174.716 173.724 0.992 1 1 288 . 9 1 1 A 30 30 ASP N N 30 122.549 117.417 5.132 1 1 289 . 9 1 1 A 30 30 ASP H H 30 8.527 7.932 0.595 1 1 290 . 9 1 1 A 30 30 ASP CA C 30 56.167 53.111 3.056 1 1 291 . 9 1 1 A 30 30 ASP HA H 30 4.596 5.037 -0.441 1 1 292 . 9 1 1 A 30 30 ASP CB C 30 41.797 42.323 -0.526 1 1 295 . 9 1 1 A 30 30 ASP C C 30 175.177 175.678 -0.501 1 1 296 . 9 1 1 A 31 31 ILE N N 31 119.187 124.009 -4.822 1 1 297 . 9 1 1 A 31 31 ILE H H 31 8.267 8.628 -0.361 1 1 298 . 9 1 1 A 31 31 ILE CA C 31 59.191 61.327 -2.136 1 1 299 . 9 1 1 A 31 31 ILE HA H 31 4.819 4.338 0.481 1 1 300 . 9 1 1 A 31 31 ILE CB C 31 36.702 37.751 -1.049 1 1 313 . 9 1 1 A 31 31 ILE C C 31 175.437 175.092 0.345 1 1 314 . 9 1 1 A 32 32 ILE N N 32 129.566 127.051 2.515 1 1 315 . 9 1 1 A 32 32 ILE H H 32 9.247 8.762 0.485 1 1 316 . 9 1 1 A 32 32 ILE CA C 32 60.211 59.627 0.584 1 1 317 . 9 1 1 A 32 32 ILE HA H 32 4.140 4.678 -0.538 1 1 318 . 9 1 1 A 32 32 ILE CB C 32 41.978 41.650 0.328 1 1 331 . 9 1 1 A 32 32 ILE C C 32 176.197 175.202 0.995 1 1 332 . 9 1 1 A 33 33 THR N N 33 123.061 122.449 0.612 1 1 333 . 9 1 1 A 33 33 THR H H 33 8.741 8.426 0.315 1 1 334 . 9 1 1 A 33 33 THR CA C 33 63.117 63.022 0.095 1 1 335 . 9 1 1 A 33 33 THR HA H 33 4.583 4.450 0.133 1 1 336 . 9 1 1 A 33 33 THR CB C 33 69.626 69.177 0.449 1 1 342 . 9 1 1 A 33 33 THR C C 33 174.011 174.098 -0.087 1 1 343 . 9 1 1 A 34 34 ILE N N 34 128.281 126.543 1.738 1 1 344 . 9 1 1 A 34 34 ILE H H 34 9.110 9.226 -0.116 1 1 345 . 9 1 1 A 34 34 ILE CA C 34 61.566 60.740 0.826 1 1 346 . 9 1 1 A 34 34 ILE HA H 34 4.117 4.432 -0.315 1 1 347 . 9 1 1 A 34 34 ILE CB C 34 36.785 37.453 -0.668 1 1 360 . 9 1 1 A 34 34 ILE C C 34 175.420 175.458 -0.038 1 1 361 . 9 1 1 A 35 35 ILE N N 35 128.859 129.867 -1.008 1 1 362 . 9 1 1 A 35 35 ILE H H 35 9.359 8.890 0.469 1 1 363 . 9 1 1 A 35 35 ILE CA C 35 60.949 62.982 -2.033 1 1 364 . 9 1 1 A 35 35 ILE HA H 35 4.224 4.059 0.165 1 1 365 . 9 1 1 A 35 35 ILE CB C 35 38.186 38.379 -0.193 1 1 378 . 9 1 1 A 35 35 ILE C C 35 176.253 176.135 0.118 1 1 379 . 9 1 1 A 36 36 SER N N 36 111.665 113.193 -1.528 1 1 380 . 9 1 1 A 36 36 SER H H 36 7.882 7.727 0.155 1 1 381 . 9 1 1 A 36 36 SER CA C 36 57.605 56.763 0.842 1 1 382 . 9 1 1 A 36 36 SER HA H 36 4.525 4.761 -0.236 1 1 383 . 9 1 1 A 36 36 SER CB C 36 64.435 66.078 -1.643 1 1 386 . 9 1 1 A 36 36 SER C C 36 172.845 172.387 0.458 1 1 387 . 9 1 1 A 37 37 GLN N N 37 116.906 122.199 -5.293 1 1 388 . 9 1 1 A 37 37 GLN H H 37 8.055 8.588 -0.533 1 1 389 . 9 1 1 A 37 37 GLN CA C 37 54.718 54.289 0.429 1 1 390 . 9 1 1 A 37 37 GLN HA H 37 4.420 4.965 -0.545 1 1 391 . 9 1 1 A 37 37 GLN CB C 37 29.381 30.887 -1.506 1 1 400 . 9 1 1 A 37 37 GLN C C 37 175.080 175.409 -0.329 1 1 401 . 9 1 1 A 38 38 LYS N N 38 124.909 124.414 0.495 1 1 402 . 9 1 1 A 38 38 LYS H H 38 8.046 8.545 -0.499 1 1 403 . 9 1 1 A 38 38 LYS CA C 38 58.998 58.070 0.928 1 1 404 . 9 1 1 A 38 38 LYS HA H 38 4.076 4.387 -0.311 1 1 405 . 9 1 1 A 38 38 LYS CB C 38 33.116 32.931 0.185 1 1 417 . 9 1 1 A 38 38 LYS C C 38 176.508 176.027 0.481 1 1 418 . 9 1 1 A 39 39 ASP N N 39 117.133 116.822 0.311 1 1 419 . 9 1 1 A 39 39 ASP H H 39 8.296 8.505 -0.209 1 1 420 . 9 1 1 A 39 39 ASP CA C 39 53.294 52.398 0.896 1 1 421 . 9 1 1 A 39 39 ASP HA H 39 4.558 5.064 -0.506 1 1 422 . 9 1 1 A 39 39 ASP CB C 39 41.847 44.039 -2.192 1 1 425 . 9 1 1 A 39 39 ASP C C 39 175.201 176.301 -1.100 1 1 426 . 9 1 1 A 40 40 GLU N N 40 116.223 124.131 -7.908 1 1 427 . 9 1 1 A 40 40 GLU H H 40 8.564 8.949 -0.385 1 1 428 . 9 1 1 A 40 40 GLU CA C 40 58.748 59.623 -0.875 1 1 429 . 9 1 1 A 40 40 GLU HA H 40 4.088 4.293 -0.205 1 1 430 . 9 1 1 A 40 40 GLU CB C 40 29.696 29.552 0.144 1 1 436 . 9 1 1 A 40 40 GLU C C 40 176.367 177.699 -1.332 1 1 437 . 9 1 1 A 41 41 HIS N N 41 114.612 115.629 -1.017 1 1 438 . 9 1 1 A 41 41 HIS H H 41 8.383 7.833 0.550 1 1 439 . 9 1 1 A 41 41 HIS CA C 41 56.873 55.320 1.553 1 1 440 . 9 1 1 A 41 41 HIS HA H 41 4.613 4.548 0.065 1 1 441 . 9 1 1 A 41 41 HIS CB C 41 32.910 29.777 3.133 1 1 448 . 9 1 1 A 41 41 HIS C C 41 176.755 174.411 2.344 1 1 449 . 9 1 1 A 42 42 CYS N N 42 122.290 116.788 5.502 1 1 450 . 9 1 1 A 42 42 CYS H H 42 8.337 7.309 1.028 1 1 451 . 9 1 1 A 42 42 CYS CA C 42 58.168 58.793 -0.625 1 1 452 . 9 1 1 A 42 42 CYS HA H 42 4.885 5.123 -0.238 1 1 453 . 9 1 1 A 42 42 CYS CB C 42 29.227 30.328 -1.101 1 1 456 . 9 1 1 A 42 42 CYS C C 42 172.892 173.214 -0.322 1 1 457 . 9 1 1 A 43 43 TRP N N 43 127.114 124.387 2.727 1 1 458 . 9 1 1 A 43 43 TRP H H 43 8.333 8.883 -0.550 1 1 459 . 9 1 1 A 43 43 TRP CA C 43 53.262 55.779 -2.517 1 1 460 . 9 1 1 A 43 43 TRP HA H 43 5.307 5.218 0.089 1 1 461 . 9 1 1 A 43 43 TRP CB C 43 33.323 32.714 0.609 1 1 476 . 9 1 1 A 43 43 TRP C C 43 173.064 175.008 -1.944 1 1 477 . 9 1 1 A 44 44 VAL N N 44 117.650 121.320 -3.670 1 1 478 . 9 1 1 A 44 44 VAL H H 44 8.591 8.973 -0.382 1 1 479 . 9 1 1 A 44 44 VAL CA C 44 61.801 61.106 0.695 1 1 480 . 9 1 1 A 44 44 VAL HA H 44 4.739 5.047 -0.308 1 1 481 . 9 1 1 A 44 44 VAL CB C 44 32.962 33.516 -0.554 1 1 491 . 9 1 1 A 44 44 VAL C C 44 176.980 175.521 1.459 1 1 492 . 9 1 1 A 45 45 GLY N N 45 115.010 115.061 -0.051 1 1 493 . 9 1 1 A 45 45 GLY H H 45 9.469 8.786 0.683 1 1 494 . 9 1 1 A 45 45 GLY CA C 45 45.159 44.856 0.303 1 1 495 . 9 1 1 A 45 45 GLY HA2 H 45 3.769 4.382 -0.613 1 1 496 . 9 1 1 A 45 45 GLY HA3 H 45 5.478 4.558 0.920 1 1 497 . 9 1 1 A 45 45 GLY C C 45 170.022 172.629 -2.607 1 1 498 . 9 1 1 A 46 46 GLU N N 46 118.202 120.369 -2.167 1 1 499 . 9 1 1 A 46 46 GLU H H 46 9.072 9.017 0.055 1 1 500 . 9 1 1 A 46 46 GLU CA C 46 54.226 55.378 -1.152 1 1 501 . 9 1 1 A 46 46 GLU HA H 46 5.720 5.620 0.100 1 1 502 . 9 1 1 A 46 46 GLU CB C 46 34.724 32.844 1.880 1 1 508 . 9 1 1 A 46 46 GLU C C 46 174.843 174.756 0.087 1 1 509 . 9 1 1 A 47 47 LEU N N 47 125.182 126.830 -1.648 1 1 510 . 9 1 1 A 47 47 LEU H H 47 8.880 8.680 0.200 1 1 511 . 9 1 1 A 47 47 LEU CA C 47 55.064 53.883 1.181 1 1 512 . 9 1 1 A 47 47 LEU HA H 47 4.711 4.593 0.118 1 1 513 . 9 1 1 A 47 47 LEU CB C 47 45.900 45.148 0.752 1 1 526 . 9 1 1 A 47 47 LEU C C 47 176.130 175.163 0.967 1 1 527 . 9 1 1 A 48 48 ASN N N 48 127.515 124.029 3.486 1 1 528 . 9 1 1 A 48 48 ASN H H 48 9.796 9.306 0.490 1 1 529 . 9 1 1 A 48 48 ASN CA C 48 54.407 54.469 -0.062 1 1 530 . 9 1 1 A 48 48 ASN HA H 48 4.457 4.459 -0.002 1 1 531 . 9 1 1 A 48 48 ASN CB C 48 37.546 37.223 0.323 1 1 537 . 9 1 1 A 48 48 ASN C C 48 174.935 175.597 -0.662 1 1 538 . 9 1 1 A 49 49 GLY N N 49 104.068 104.414 -0.346 1 1 539 . 9 1 1 A 49 49 GLY H H 49 8.891 8.703 0.188 1 1 540 . 9 1 1 A 49 49 GLY CA C 49 45.471 46.340 -0.869 1 1 541 . 9 1 1 A 49 49 GLY HA2 H 49 3.621 3.938 -0.317 1 1 542 . 9 1 1 A 49 49 GLY HA3 H 49 4.230 3.940 0.290 1 1 543 . 9 1 1 A 49 49 GLY C C 49 173.671 173.897 -0.226 1 1 544 . 9 1 1 A 50 50 LEU N N 50 122.996 120.216 2.780 1 1 545 . 9 1 1 A 50 50 LEU H H 50 7.818 7.964 -0.146 1 1 546 . 9 1 1 A 50 50 LEU CA C 50 53.971 53.231 0.740 1 1 547 . 9 1 1 A 50 50 LEU HA H 50 4.727 4.970 -0.243 1 1 548 . 9 1 1 A 50 50 LEU CB C 50 43.482 45.986 -2.504 1 1 561 . 9 1 1 A 50 50 LEU C C 50 174.930 175.417 -0.487 1 1 562 . 9 1 1 A 51 51 ARG N N 51 119.072 119.797 -0.725 1 1 563 . 9 1 1 A 51 51 ARG H H 51 8.410 8.530 -0.120 1 1 564 . 9 1 1 A 51 51 ARG CA C 51 54.020 54.734 -0.714 1 1 565 . 9 1 1 A 51 51 ARG HA H 51 5.843 5.393 0.450 1 1 566 . 9 1 1 A 51 51 ARG CB C 51 34.724 32.615 2.109 1 1 575 . 9 1 1 A 51 51 ARG C C 51 176.707 175.406 1.301 1 1 576 . 9 1 1 A 52 52 GLY N N 52 109.058 110.351 -1.293 1 1 577 . 9 1 1 A 52 52 GLY H H 52 8.661 8.800 -0.139 1 1 578 . 9 1 1 A 52 52 GLY CA C 52 45.683 45.707 -0.024 1 1 579 . 9 1 1 A 52 52 GLY HA2 H 52 3.975 4.468 -0.493 1 1 580 . 9 1 1 A 52 52 GLY HA3 H 52 4.248 4.476 -0.228 1 1 581 . 9 1 1 A 52 52 GLY C C 52 171.261 172.779 -1.518 1 1 582 . 9 1 1 A 53 53 TRP N N 53 119.558 117.567 1.991 1 1 583 . 9 1 1 A 53 53 TRP H H 53 8.825 8.502 0.323 1 1 584 . 9 1 1 A 53 53 TRP CA C 53 55.402 55.436 -0.034 1 1 585 . 9 1 1 A 53 53 TRP HA H 53 6.222 5.612 0.610 1 1 586 . 9 1 1 A 53 53 TRP CB C 53 31.856 32.360 -0.504 1 1 601 . 9 1 1 A 53 53 TRP C C 53 176.100 175.388 0.712 1 1 602 . 9 1 1 A 54 54 PHE N N 54 115.426 115.635 -0.209 1 1 603 . 9 1 1 A 54 54 PHE H H 54 8.976 8.456 0.520 1 1 604 . 9 1 1 A 54 54 PHE CA C 54 55.805 55.637 0.168 1 1 605 . 9 1 1 A 54 54 PHE HA H 54 4.833 4.438 0.395 1 1 606 . 9 1 1 A 54 54 PHE CB C 54 39.295 39.436 -0.141 1 1 619 . 9 1 1 A 54 54 PHE C C 54 171.898 171.829 0.069 1 1 620 . 9 1 1 A 55 55 PRO CA C 55 61.963 62.616 -0.653 1 1 621 . 9 1 1 A 55 55 PRO HA H 55 4.654 5.029 -0.375 1 1 622 . 9 1 1 A 55 55 PRO CB C 55 31.179 31.443 -0.264 1 1 631 . 9 1 1 A 55 55 PRO C C 55 177.168 177.734 -0.566 1 1 632 . 9 1 1 A 56 56 ALA N N 56 130.132 128.167 1.965 1 1 633 . 9 1 1 A 56 56 ALA H H 56 7.818 8.297 -0.479 1 1 634 . 9 1 1 A 56 56 ALA CA C 56 55.045 54.946 0.099 1 1 635 . 9 1 1 A 56 56 ALA HA H 56 3.032 3.898 -0.866 1 1 636 . 9 1 1 A 56 56 ALA CB C 56 16.542 17.126 -0.584 1 1 640 . 9 1 1 A 56 56 ALA C C 56 178.595 179.500 -0.905 1 1 641 . 9 1 1 A 57 57 LYS N N 57 110.974 115.883 -4.909 1 1 642 . 9 1 1 A 57 57 LYS H H 57 8.024 7.844 0.180 1 1 643 . 9 1 1 A 57 57 LYS CA C 57 57.118 58.832 -1.714 1 1 644 . 9 1 1 A 57 57 LYS HA H 57 4.213 3.955 0.258 1 1 645 . 9 1 1 A 57 57 LYS CB C 57 31.641 32.049 -0.408 1 1 657 . 9 1 1 A 57 57 LYS C C 57 177.053 178.401 -1.348 1 1 658 . 9 1 1 A 58 58 PHE N N 58 118.768 118.677 0.091 1 1 659 . 9 1 1 A 58 58 PHE H H 58 7.911 8.036 -0.125 1 1 660 . 9 1 1 A 58 58 PHE CA C 58 56.933 61.315 -4.382 1 1 661 . 9 1 1 A 58 58 PHE HA H 58 4.739 4.280 0.459 1 1 662 . 9 1 1 A 58 58 PHE CB C 58 38.643 38.573 0.070 1 1 675 . 9 1 1 A 58 58 PHE C C 58 174.837 175.816 -0.979 1 1 676 . 9 1 1 A 59 59 VAL N N 59 109.843 113.271 -3.428 1 1 677 . 9 1 1 A 59 59 VAL H H 59 7.796 7.727 0.069 1 1 678 . 9 1 1 A 59 59 VAL CA C 59 58.332 59.386 -1.054 1 1 679 . 9 1 1 A 59 59 VAL HA H 59 5.333 4.763 0.570 1 1 680 . 9 1 1 A 59 59 VAL CB C 59 35.704 34.874 0.830 1 1 690 . 9 1 1 A 59 59 VAL C C 59 173.452 174.171 -0.719 1 1 691 . 9 1 1 A 60 60 GLU N N 60 119.932 120.779 -0.847 1 1 692 . 9 1 1 A 60 60 GLU H H 60 8.699 9.093 -0.394 1 1 693 . 9 1 1 A 60 60 GLU CA C 60 54.202 54.643 -0.441 1 1 694 . 9 1 1 A 60 60 GLU HA H 60 4.863 5.194 -0.331 1 1 695 . 9 1 1 A 60 60 GLU CB C 60 33.573 33.342 0.231 1 1 701 . 9 1 1 A 60 60 GLU C C 60 176.100 175.714 0.386 1 1 702 . 9 1 1 A 61 61 VAL N N 61 127.661 127.167 0.494 1 1 703 . 9 1 1 A 61 61 VAL H H 61 9.107 8.697 0.410 1 1 704 . 9 1 1 A 61 61 VAL CA C 61 64.612 62.597 2.015 1 1 705 . 9 1 1 A 61 61 VAL HA H 61 3.957 4.353 -0.396 1 1 706 . 9 1 1 A 61 61 VAL CB C 61 31.875 32.312 -0.437 1 1 716 . 9 1 1 A 61 61 VAL C C 61 176.294 175.189 1.105 1 1 717 . 9 1 1 A 62 62 LEU N N 62 128.512 125.791 2.721 1 1 718 . 9 1 1 A 62 62 LEU H H 62 8.777 8.539 0.238 1 1 719 . 9 1 1 A 62 62 LEU CA C 62 54.677 53.676 1.001 1 1 720 . 9 1 1 A 62 62 LEU HA H 62 4.456 5.135 -0.679 1 1 721 . 9 1 1 A 62 62 LEU CB C 62 42.548 45.725 -3.177 1 1 734 . 9 1 1 A 62 62 LEU C C 62 176.888 174.624 2.264 1 1 735 . 9 1 1 A 63 63 ASP N N 63 122.605 122.448 0.157 1 1 736 . 9 1 1 A 63 63 ASP H H 63 8.588 8.850 -0.262 1 1 737 . 9 1 1 A 63 63 ASP CA C 63 53.971 52.640 1.331 1 1 738 . 9 1 1 A 63 63 ASP HA H 63 4.643 5.270 -0.627 1 1 739 . 9 1 1 A 63 63 ASP CB C 63 41.629 44.059 -2.430 1 1 742 . 9 1 1 A 63 63 ASP C C 63 176.460 175.109 1.351 1 1 743 . 9 1 1 A 64 64 GLU N N 64 122.614 124.602 -1.988 1 1 744 . 9 1 1 A 64 64 GLU H H 64 8.634 8.897 -0.263 1 1 745 . 9 1 1 A 64 64 GLU CA C 64 57.086 57.506 -0.420 1 1 746 . 9 1 1 A 64 64 GLU HA H 64 4.158 4.594 -0.436 1 1 747 . 9 1 1 A 64 64 GLU CB C 64 30.055 31.010 -0.955 1 1 753 . 9 1 1 A 64 64 GLU C C 64 176.801 178.126 -1.325 1 1 754 . 9 1 1 A 65 65 ARG N N 65 120.526 120.143 0.383 1 1 755 . 9 1 1 A 65 65 ARG H H 65 8.416 8.431 -0.015 1 1 756 . 9 1 1 A 65 65 ARG CA C 65 56.430 59.716 -3.286 1 1 757 . 9 1 1 A 65 65 ARG HA H 65 4.323 3.939 0.384 1 1 758 . 9 1 1 A 65 65 ARG CB C 65 30.493 30.157 0.336 1 1 767 . 9 1 1 A 65 65 ARG C C 65 176.896 178.808 -1.912 1 1 768 . 9 1 1 A 66 66 SER N N 66 116.214 114.373 1.841 1 1 769 . 9 1 1 A 66 66 SER H H 66 8.225 7.591 0.634 1 1 770 . 9 1 1 A 66 66 SER CA C 66 58.732 61.576 -2.844 1 1 771 . 9 1 1 A 66 66 SER HA H 66 4.799 4.173 0.626 1 1 772 . 9 1 1 A 66 66 SER CB C 66 63.879 63.027 0.852 1 1 775 . 9 1 1 A 66 66 SER C C 66 175.225 174.321 0.904 1 1 776 . 9 1 1 A 67 67 LYS CA C 67 56.993 57.323 -0.330 1 1 777 . 9 1 1 A 67 67 LYS HA H 67 4.270 3.925 0.345 1 1 778 . 9 1 1 A 67 67 LYS CB C 67 32.724 30.843 1.881 1 1 790 . 9 1 1 A 68 68 GLU N N 68 120.561 119.911 0.650 1 1 791 . 9 1 1 A 68 68 GLU H H 68 8.417 7.845 0.572 1 1 792 . 9 1 1 A 68 68 GLU CA C 68 57.144 57.169 -0.025 1 1 793 . 9 1 1 A 68 68 GLU HA H 68 4.193 4.341 -0.148 1 1 794 . 9 1 1 A 68 68 GLU CB C 68 30.025 30.410 -0.385 1 1 800 . 9 1 1 A 68 68 GLU C C 68 176.828 176.102 0.726 1 1 801 . 9 1 1 A 69 69 TYR N N 69 120.399 127.884 -7.485 1 1 802 . 9 1 1 A 69 69 TYR H H 69 8.027 8.880 -0.853 1 1 803 . 9 1 1 A 69 69 TYR CA C 69 58.296 57.455 0.841 1 1 804 . 9 1 1 A 69 69 TYR HA H 69 4.504 4.655 -0.151 1 1 805 . 9 1 1 A 69 69 TYR CB C 69 38.965 37.153 1.812 1 1 816 . 9 1 1 A 69 69 TYR C C 69 176.367 175.154 1.213 1 1 817 . 9 1 1 A 70 70 SER N N 70 117.031 120.226 -3.195 1 1 818 . 9 1 1 A 70 70 SER H H 70 8.067 8.218 -0.151 1 1 819 . 9 1 1 A 70 70 SER CA C 70 58.167 59.115 -0.948 1 1 820 . 9 1 1 A 70 70 SER HA H 70 4.441 4.436 0.005 1 1 821 . 9 1 1 A 70 70 SER CB C 70 63.911 64.064 -0.153 1 1 824 . 9 1 1 A 70 70 SER C C 70 174.448 174.524 -0.076 1 1 825 . 9 1 1 A 71 71 ILE N N 71 122.402 121.026 1.376 1 1 826 . 9 1 1 A 71 71 ILE H H 71 8.083 8.496 -0.413 1 1 827 . 9 1 1 A 71 71 ILE CA C 71 61.411 60.091 1.320 1 1 828 . 9 1 1 A 71 71 ILE HA H 71 4.161 4.460 -0.299 1 1 829 . 9 1 1 A 71 71 ILE CB C 71 38.779 39.502 -0.723 1 1 842 . 9 1 1 A 71 71 ILE C C 71 176.172 175.631 0.541 1 1 843 . 9 1 1 A 72 72 ALA N N 72 127.574 123.758 3.816 1 1 844 . 9 1 1 A 72 72 ALA H H 72 8.306 8.538 -0.232 1 1 845 . 9 1 1 A 72 72 ALA CA C 72 52.631 51.572 1.059 1 1 846 . 9 1 1 A 72 72 ALA HA H 72 4.366 4.753 -0.387 1 1 847 . 9 1 1 A 72 72 ALA CB C 72 19.242 22.761 -3.519 1 1 851 . 9 1 1 A 72 72 ALA C C 72 177.702 176.043 1.659 1 1 852 . 9 1 1 A 73 73 SER N N 73 115.199 117.864 -2.665 1 1 853 . 9 1 1 A 73 73 SER H H 73 8.223 8.476 -0.253 1 1 854 . 9 1 1 A 73 73 SER CA C 73 58.285 60.311 -2.026 1 1 855 . 9 1 1 A 73 73 SER HA H 73 4.471 4.336 0.135 1 1 856 . 9 1 1 A 73 73 SER CB C 73 64.233 63.697 0.536 1 1 859 . 9 1 1 A 73 73 SER C C 73 174.639 174.990 -0.351 1 1 860 . 9 1 1 A 74 74 GLY N N 74 110.616 113.136 -2.520 1 1 861 . 9 1 1 A 74 74 GLY H H 74 8.185 8.758 -0.573 1 1 862 . 9 1 1 A 74 74 GLY CA C 74 44.677 47.173 -2.496 1 1 863 . 9 1 1 A 74 74 GLY HA2 H 74 4.171 3.921 0.250 1 1 864 . 9 1 1 A 74 74 GLY HA3 H 74 4.107 3.923 0.184 1 1 865 . 9 1 1 A 74 74 GLY C C 74 171.850 174.348 -2.498 1 1 866 . 9 1 1 A 75 75 PRO CA C 75 63.266 62.777 0.489 1 1 867 . 9 1 1 A 75 75 PRO HA H 75 4.487 4.606 -0.119 1 1 868 . 9 1 1 A 75 75 PRO CB C 75 32.196 32.462 -0.266 1 1 877 . 9 1 1 A 76 76 SER N N 76 116.439 118.023 -1.584 1 1 878 . 9 1 1 A 76 76 SER H H 76 8.562 8.552 0.010 1 1 879 . 9 1 1 A 76 76 SER CA C 76 58.747 56.294 2.453 1 1 880 . 9 1 1 A 76 76 SER CB C 76 64.105 65.119 -1.014 1 1 1 . 10 1 1 A 6 6 SER CA C 6 58.690 58.763 -0.073 1 1 2 . 10 1 1 A 6 6 SER HA H 6 4.411 4.782 -0.371 1 1 3 . 10 1 1 A 7 7 GLY N N 7 110.826 113.288 -2.462 1 1 4 . 10 1 1 A 7 7 GLY H H 7 8.436 8.672 -0.236 1 1 5 . 10 1 1 A 7 7 GLY CA C 7 45.315 44.687 0.628 1 1 6 . 10 1 1 A 7 7 GLY HA2 H 7 4.029 4.227 -0.198 1 1 7 . 10 1 1 A 7 7 GLY HA3 H 7 3.918 4.236 -0.318 1 1 8 . 10 1 1 A 7 7 GLY C C 7 173.788 172.241 1.547 1 1 9 . 10 1 1 A 8 8 ARG N N 8 120.458 124.151 -3.693 1 1 10 . 10 1 1 A 8 8 ARG H H 8 8.272 8.830 -0.558 1 1 11 . 10 1 1 A 8 8 ARG CA C 8 55.715 53.992 1.723 1 1 12 . 10 1 1 A 8 8 ARG HA H 8 4.500 5.040 -0.540 1 1 13 . 10 1 1 A 8 8 ARG CB C 8 31.541 33.795 -2.254 1 1 22 . 10 1 1 A 8 8 ARG C C 8 175.201 175.345 -0.144 1 1 23 . 10 1 1 A 9 9 ARG N N 9 121.537 119.992 1.545 1 1 24 . 10 1 1 A 9 9 ARG H H 9 8.879 8.472 0.407 1 1 25 . 10 1 1 A 9 9 ARG CA C 9 54.737 54.340 0.397 1 1 26 . 10 1 1 A 9 9 ARG HA H 9 5.288 5.123 0.165 1 1 27 . 10 1 1 A 9 9 ARG CB C 9 34.064 33.795 0.269 1 1 36 . 10 1 1 A 9 9 ARG C C 9 174.910 174.549 0.361 1 1 37 . 10 1 1 A 10 10 ALA N N 10 122.000 125.008 -3.008 1 1 38 . 10 1 1 A 10 10 ALA H H 10 9.200 8.673 0.527 1 1 39 . 10 1 1 A 10 10 ALA CA C 10 50.229 50.061 0.168 1 1 40 . 10 1 1 A 10 10 ALA HA H 10 5.143 5.423 -0.280 1 1 41 . 10 1 1 A 10 10 ALA CB C 10 23.552 22.870 0.682 1 1 45 . 10 1 1 A 10 10 ALA C C 10 173.920 174.957 -1.037 1 1 46 . 10 1 1 A 11 11 LYS N N 11 121.984 120.918 1.066 1 1 47 . 10 1 1 A 11 11 LYS H H 11 8.962 9.174 -0.212 1 1 48 . 10 1 1 A 11 11 LYS CA C 11 53.936 54.314 -0.378 1 1 49 . 10 1 1 A 11 11 LYS HA H 11 5.043 5.063 -0.020 1 1 50 . 10 1 1 A 11 11 LYS CB C 11 35.705 36.048 -0.343 1 1 62 . 10 1 1 A 11 11 LYS C C 11 176.193 175.694 0.499 1 1 63 . 10 1 1 A 12 12 ALA N N 12 128.384 128.835 -0.451 1 1 64 . 10 1 1 A 12 12 ALA H H 12 8.974 8.958 0.016 1 1 65 . 10 1 1 A 12 12 ALA CA C 12 52.878 52.269 0.609 1 1 66 . 10 1 1 A 12 12 ALA HA H 12 4.271 4.423 -0.152 1 1 67 . 10 1 1 A 12 12 ALA CB C 12 21.024 18.954 2.070 1 1 71 . 10 1 1 A 12 12 ALA C C 12 179.524 177.922 1.602 1 1 72 . 10 1 1 A 13 13 LEU N N 13 126.125 125.088 1.037 1 1 73 . 10 1 1 A 13 13 LEU H H 13 9.490 8.933 0.557 1 1 74 . 10 1 1 A 13 13 LEU CA C 13 55.697 55.646 0.051 1 1 75 . 10 1 1 A 13 13 LEU HA H 13 4.258 4.361 -0.103 1 1 76 . 10 1 1 A 13 13 LEU CB C 13 43.073 42.657 0.416 1 1 89 . 10 1 1 A 13 13 LEU C C 13 175.705 176.562 -0.857 1 1 90 . 10 1 1 A 14 14 LEU N N 14 116.229 114.769 1.460 1 1 91 . 10 1 1 A 14 14 LEU H H 14 7.638 7.689 -0.051 1 1 92 . 10 1 1 A 14 14 LEU CA C 14 53.715 53.791 -0.076 1 1 93 . 10 1 1 A 14 14 LEU HA H 14 4.436 4.627 -0.191 1 1 94 . 10 1 1 A 14 14 LEU CB C 14 45.286 43.588 1.698 1 1 107 . 10 1 1 A 14 14 LEU C C 14 173.987 174.455 -0.468 1 1 108 . 10 1 1 A 15 15 ASP N N 15 116.528 121.059 -4.531 1 1 109 . 10 1 1 A 15 15 ASP H H 15 8.047 8.688 -0.641 1 1 110 . 10 1 1 A 15 15 ASP CA C 15 54.712 53.757 0.955 1 1 111 . 10 1 1 A 15 15 ASP HA H 15 4.628 4.997 -0.369 1 1 112 . 10 1 1 A 15 15 ASP CB C 15 41.437 42.351 -0.914 1 1 115 . 10 1 1 A 16 16 PHE N N 16 123.405 125.902 -2.497 1 1 116 . 10 1 1 A 16 16 PHE H H 16 8.414 8.496 -0.082 1 1 117 . 10 1 1 A 16 16 PHE CA C 16 56.555 56.074 0.481 1 1 118 . 10 1 1 A 16 16 PHE HA H 16 4.576 4.895 -0.319 1 1 119 . 10 1 1 A 16 16 PHE CB C 16 41.647 41.229 0.418 1 1 132 . 10 1 1 A 17 17 GLU N N 17 127.173 125.701 1.472 1 1 133 . 10 1 1 A 17 17 GLU H H 17 7.775 8.244 -0.469 1 1 134 . 10 1 1 A 17 17 GLU CA C 17 54.469 55.245 -0.776 1 1 135 . 10 1 1 A 17 17 GLU HA H 17 4.025 4.325 -0.300 1 1 136 . 10 1 1 A 17 17 GLU CB C 17 30.119 29.826 0.293 1 1 142 . 10 1 1 A 17 17 GLU C C 17 174.327 175.424 -1.097 1 1 143 . 10 1 1 A 18 18 ARG N N 18 123.112 125.756 -2.644 1 1 144 . 10 1 1 A 18 18 ARG H H 18 7.721 8.347 -0.626 1 1 145 . 10 1 1 A 18 18 ARG CA C 18 55.738 56.175 -0.437 1 1 146 . 10 1 1 A 18 18 ARG HA H 18 3.665 3.873 -0.208 1 1 147 . 10 1 1 A 18 18 ARG CB C 18 30.846 30.186 0.660 1 1 156 . 10 1 1 A 18 18 ARG C C 18 175.954 176.581 -0.627 1 1 157 . 10 1 1 A 19 19 HIS N N 19 121.992 123.148 -1.156 1 1 158 . 10 1 1 A 19 19 HIS H H 19 9.200 8.089 1.111 1 1 159 . 10 1 1 A 19 19 HIS CA C 19 56.774 59.090 -2.316 1 1 160 . 10 1 1 A 19 19 HIS HA H 19 4.612 4.098 0.514 1 1 161 . 10 1 1 A 19 19 HIS CB C 19 30.061 29.760 0.301 1 1 168 . 10 1 1 A 19 19 HIS C C 19 174.151 175.565 -1.414 1 1 169 . 10 1 1 A 20 20 ASP N N 20 119.946 117.505 2.441 1 1 170 . 10 1 1 A 20 20 ASP H H 20 8.160 8.019 0.141 1 1 171 . 10 1 1 A 20 20 ASP CA C 20 53.371 54.044 -0.673 1 1 172 . 10 1 1 A 20 20 ASP HA H 20 4.785 4.699 0.086 1 1 173 . 10 1 1 A 20 20 ASP CB C 20 43.492 43.317 0.175 1 1 176 . 10 1 1 A 20 20 ASP C C 20 176.571 176.899 -0.328 1 1 177 . 10 1 1 A 21 21 ASP N N 21 119.329 124.979 -5.650 1 1 178 . 10 1 1 A 21 21 ASP H H 21 8.686 8.875 -0.189 1 1 179 . 10 1 1 A 21 21 ASP CA C 21 56.641 57.011 -0.370 1 1 180 . 10 1 1 A 21 21 ASP HA H 21 4.439 4.273 0.166 1 1 181 . 10 1 1 A 21 21 ASP CB C 21 40.977 40.263 0.714 1 1 184 . 10 1 1 A 21 21 ASP C C 21 176.619 177.932 -1.313 1 1 185 . 10 1 1 A 22 22 ASP N N 22 116.501 117.419 -0.918 1 1 186 . 10 1 1 A 22 22 ASP H H 22 8.702 7.936 0.766 1 1 187 . 10 1 1 A 22 22 ASP CA C 22 54.535 56.585 -2.050 1 1 188 . 10 1 1 A 22 22 ASP HA H 22 4.769 4.639 0.130 1 1 189 . 10 1 1 A 22 22 ASP CB C 22 40.833 41.221 -0.388 1 1 192 . 10 1 1 A 22 22 ASP C C 22 176.139 177.213 -1.074 1 1 193 . 10 1 1 A 23 23 GLU N N 23 119.696 118.797 0.899 1 1 194 . 10 1 1 A 23 23 GLU H H 23 7.540 7.908 -0.368 1 1 195 . 10 1 1 A 23 23 GLU CA C 23 55.398 57.286 -1.888 1 1 196 . 10 1 1 A 23 23 GLU HA H 23 4.519 4.179 0.340 1 1 197 . 10 1 1 A 23 23 GLU CB C 23 32.584 30.293 2.291 1 1 203 . 10 1 1 A 23 23 GLU C C 23 175.760 175.681 0.079 1 1 204 . 10 1 1 A 24 24 LEU N N 24 125.257 124.211 1.046 1 1 205 . 10 1 1 A 24 24 LEU H H 24 8.766 8.507 0.259 1 1 206 . 10 1 1 A 24 24 LEU CA C 24 53.525 53.921 -0.396 1 1 207 . 10 1 1 A 24 24 LEU HA H 24 4.410 5.099 -0.689 1 1 208 . 10 1 1 A 24 24 LEU CB C 24 44.685 44.605 0.080 1 1 221 . 10 1 1 A 24 24 LEU C C 24 173.987 175.263 -1.276 1 1 222 . 10 1 1 A 25 25 GLY N N 25 107.345 114.277 -6.932 1 1 223 . 10 1 1 A 25 25 GLY H H 25 7.584 9.157 -1.573 1 1 224 . 10 1 1 A 25 25 GLY CA C 25 44.096 44.627 -0.531 1 1 225 . 10 1 1 A 25 25 GLY HA2 H 25 3.361 4.107 -0.746 1 1 226 . 10 1 1 A 25 25 GLY HA3 H 25 4.260 4.138 0.122 1 1 227 . 10 1 1 A 25 25 GLY C C 25 173.720 172.593 1.127 1 1 228 . 10 1 1 A 26 26 PHE N N 26 114.043 118.239 -4.196 1 1 229 . 10 1 1 A 26 26 PHE H H 26 8.330 8.084 0.246 1 1 230 . 10 1 1 A 26 26 PHE CA C 26 56.440 55.357 1.083 1 1 231 . 10 1 1 A 26 26 PHE HA H 26 4.749 5.455 -0.706 1 1 232 . 10 1 1 A 26 26 PHE CB C 26 40.494 41.846 -1.352 1 1 245 . 10 1 1 A 26 26 PHE C C 26 174.820 172.489 2.331 1 1 246 . 10 1 1 A 27 27 ARG N N 27 120.928 118.631 2.297 1 1 247 . 10 1 1 A 27 27 ARG H H 27 9.597 8.680 0.917 1 1 248 . 10 1 1 A 27 27 ARG CA C 27 53.054 53.953 -0.899 1 1 249 . 10 1 1 A 27 27 ARG HA H 27 4.974 5.027 -0.053 1 1 250 . 10 1 1 A 27 27 ARG CB C 27 32.687 33.979 -1.292 1 1 259 . 10 1 1 A 27 27 ARG C C 27 175.511 175.515 -0.004 1 1 260 . 10 1 1 A 28 28 LYS N N 28 120.682 122.507 -1.825 1 1 261 . 10 1 1 A 28 28 LYS H H 28 8.922 8.592 0.330 1 1 262 . 10 1 1 A 28 28 LYS CA C 28 59.064 58.172 0.892 1 1 263 . 10 1 1 A 28 28 LYS HA H 28 3.220 3.991 -0.771 1 1 264 . 10 1 1 A 28 28 LYS CB C 28 32.826 32.232 0.594 1 1 276 . 10 1 1 A 28 28 LYS C C 28 177.019 177.269 -0.250 1 1 277 . 10 1 1 A 29 29 ASN N N 29 117.470 118.734 -1.264 1 1 278 . 10 1 1 A 29 29 ASN H H 29 8.728 9.348 -0.620 1 1 279 . 10 1 1 A 29 29 ASN CA C 29 56.477 54.356 2.121 1 1 280 . 10 1 1 A 29 29 ASN HA H 29 4.148 4.305 -0.157 1 1 281 . 10 1 1 A 29 29 ASN CB C 29 37.170 37.179 -0.009 1 1 287 . 10 1 1 A 29 29 ASN C C 29 174.716 173.568 1.148 1 1 288 . 10 1 1 A 30 30 ASP N N 30 122.549 116.358 6.191 1 1 289 . 10 1 1 A 30 30 ASP H H 30 8.527 7.708 0.819 1 1 290 . 10 1 1 A 30 30 ASP CA C 30 56.167 52.896 3.271 1 1 291 . 10 1 1 A 30 30 ASP HA H 30 4.596 5.174 -0.578 1 1 292 . 10 1 1 A 30 30 ASP CB C 30 41.797 43.716 -1.919 1 1 295 . 10 1 1 A 30 30 ASP C C 30 175.177 175.193 -0.016 1 1 296 . 10 1 1 A 31 31 ILE N N 31 119.187 121.942 -2.755 1 1 297 . 10 1 1 A 31 31 ILE H H 31 8.267 8.599 -0.332 1 1 298 . 10 1 1 A 31 31 ILE CA C 31 59.191 60.127 -0.936 1 1 299 . 10 1 1 A 31 31 ILE HA H 31 4.819 4.872 -0.053 1 1 300 . 10 1 1 A 31 31 ILE CB C 31 36.702 39.268 -2.566 1 1 313 . 10 1 1 A 31 31 ILE C C 31 175.437 175.441 -0.004 1 1 314 . 10 1 1 A 32 32 ILE N N 32 129.566 127.301 2.265 1 1 315 . 10 1 1 A 32 32 ILE H H 32 9.247 8.965 0.282 1 1 316 . 10 1 1 A 32 32 ILE CA C 32 60.211 59.506 0.705 1 1 317 . 10 1 1 A 32 32 ILE HA H 32 4.140 4.760 -0.620 1 1 318 . 10 1 1 A 32 32 ILE CB C 32 41.978 41.171 0.807 1 1 331 . 10 1 1 A 32 32 ILE C C 32 176.197 175.280 0.917 1 1 332 . 10 1 1 A 33 33 THR N N 33 123.061 122.137 0.924 1 1 333 . 10 1 1 A 33 33 THR H H 33 8.741 8.481 0.260 1 1 334 . 10 1 1 A 33 33 THR CA C 33 63.117 62.977 0.140 1 1 335 . 10 1 1 A 33 33 THR HA H 33 4.583 4.468 0.115 1 1 336 . 10 1 1 A 33 33 THR CB C 33 69.626 69.462 0.164 1 1 342 . 10 1 1 A 33 33 THR C C 33 174.011 174.256 -0.245 1 1 343 . 10 1 1 A 34 34 ILE N N 34 128.281 125.648 2.633 1 1 344 . 10 1 1 A 34 34 ILE H H 34 9.110 8.715 0.395 1 1 345 . 10 1 1 A 34 34 ILE CA C 34 61.566 60.545 1.021 1 1 346 . 10 1 1 A 34 34 ILE HA H 34 4.117 4.540 -0.423 1 1 347 . 10 1 1 A 34 34 ILE CB C 34 36.785 38.089 -1.304 1 1 360 . 10 1 1 A 34 34 ILE C C 34 175.420 175.503 -0.083 1 1 361 . 10 1 1 A 35 35 ILE N N 35 128.859 129.733 -0.874 1 1 362 . 10 1 1 A 35 35 ILE H H 35 9.359 8.788 0.571 1 1 363 . 10 1 1 A 35 35 ILE CA C 35 60.949 62.977 -2.028 1 1 364 . 10 1 1 A 35 35 ILE HA H 35 4.224 4.053 0.171 1 1 365 . 10 1 1 A 35 35 ILE CB C 35 38.186 38.240 -0.054 1 1 378 . 10 1 1 A 35 35 ILE C C 35 176.253 175.934 0.319 1 1 379 . 10 1 1 A 36 36 SER N N 36 111.665 113.760 -2.095 1 1 380 . 10 1 1 A 36 36 SER H H 36 7.882 7.897 -0.015 1 1 381 . 10 1 1 A 36 36 SER CA C 36 57.605 56.050 1.555 1 1 382 . 10 1 1 A 36 36 SER HA H 36 4.525 4.788 -0.263 1 1 383 . 10 1 1 A 36 36 SER CB C 36 64.435 66.091 -1.656 1 1 386 . 10 1 1 A 36 36 SER C C 36 172.845 172.253 0.592 1 1 387 . 10 1 1 A 37 37 GLN N N 37 116.906 120.985 -4.079 1 1 388 . 10 1 1 A 37 37 GLN H H 37 8.055 8.408 -0.353 1 1 389 . 10 1 1 A 37 37 GLN CA C 37 54.718 54.255 0.463 1 1 390 . 10 1 1 A 37 37 GLN HA H 37 4.420 4.822 -0.402 1 1 391 . 10 1 1 A 37 37 GLN CB C 37 29.381 29.282 0.099 1 1 400 . 10 1 1 A 37 37 GLN C C 37 175.080 175.873 -0.793 1 1 401 . 10 1 1 A 38 38 LYS N N 38 124.909 124.981 -0.072 1 1 402 . 10 1 1 A 38 38 LYS H H 38 8.046 8.540 -0.494 1 1 403 . 10 1 1 A 38 38 LYS CA C 38 58.998 59.738 -0.740 1 1 404 . 10 1 1 A 38 38 LYS HA H 38 4.076 3.966 0.110 1 1 405 . 10 1 1 A 38 38 LYS CB C 38 33.116 32.528 0.588 1 1 417 . 10 1 1 A 38 38 LYS C C 38 176.508 176.913 -0.405 1 1 418 . 10 1 1 A 39 39 ASP N N 39 117.133 118.019 -0.886 1 1 419 . 10 1 1 A 39 39 ASP H H 39 8.296 8.686 -0.390 1 1 420 . 10 1 1 A 39 39 ASP CA C 39 53.294 52.900 0.394 1 1 421 . 10 1 1 A 39 39 ASP HA H 39 4.558 5.124 -0.566 1 1 422 . 10 1 1 A 39 39 ASP CB C 39 41.847 43.960 -2.113 1 1 425 . 10 1 1 A 39 39 ASP C C 39 175.201 176.645 -1.444 1 1 426 . 10 1 1 A 40 40 GLU N N 40 116.223 122.569 -6.346 1 1 427 . 10 1 1 A 40 40 GLU H H 40 8.564 9.076 -0.512 1 1 428 . 10 1 1 A 40 40 GLU CA C 40 58.748 59.065 -0.317 1 1 429 . 10 1 1 A 40 40 GLU HA H 40 4.088 4.283 -0.195 1 1 430 . 10 1 1 A 40 40 GLU CB C 40 29.696 29.236 0.460 1 1 436 . 10 1 1 A 40 40 GLU C C 40 176.367 176.887 -0.520 1 1 437 . 10 1 1 A 41 41 HIS N N 41 114.612 113.983 0.629 1 1 438 . 10 1 1 A 41 41 HIS H H 41 8.383 8.033 0.350 1 1 439 . 10 1 1 A 41 41 HIS CA C 41 56.873 57.131 -0.258 1 1 440 . 10 1 1 A 41 41 HIS HA H 41 4.613 4.373 0.240 1 1 441 . 10 1 1 A 41 41 HIS CB C 41 32.910 31.530 1.380 1 1 448 . 10 1 1 A 41 41 HIS C C 41 176.755 174.852 1.903 1 1 449 . 10 1 1 A 42 42 CYS N N 42 122.290 117.124 5.166 1 1 450 . 10 1 1 A 42 42 CYS H H 42 8.337 7.723 0.614 1 1 451 . 10 1 1 A 42 42 CYS CA C 42 58.168 57.754 0.414 1 1 452 . 10 1 1 A 42 42 CYS HA H 42 4.885 4.558 0.327 1 1 453 . 10 1 1 A 42 42 CYS CB C 42 29.227 28.605 0.622 1 1 456 . 10 1 1 A 42 42 CYS C C 42 172.892 174.340 -1.448 1 1 457 . 10 1 1 A 43 43 TRP N N 43 127.114 124.176 2.938 1 1 458 . 10 1 1 A 43 43 TRP H H 43 8.333 8.643 -0.310 1 1 459 . 10 1 1 A 43 43 TRP CA C 43 53.262 55.911 -2.649 1 1 460 . 10 1 1 A 43 43 TRP HA H 43 5.307 5.187 0.120 1 1 461 . 10 1 1 A 43 43 TRP CB C 43 33.323 32.262 1.061 1 1 476 . 10 1 1 A 43 43 TRP C C 43 173.064 174.942 -1.878 1 1 477 . 10 1 1 A 44 44 VAL N N 44 117.650 121.337 -3.687 1 1 478 . 10 1 1 A 44 44 VAL H H 44 8.591 8.686 -0.095 1 1 479 . 10 1 1 A 44 44 VAL CA C 44 61.801 61.136 0.665 1 1 480 . 10 1 1 A 44 44 VAL HA H 44 4.739 5.024 -0.285 1 1 481 . 10 1 1 A 44 44 VAL CB C 44 32.962 33.613 -0.651 1 1 491 . 10 1 1 A 44 44 VAL C C 44 176.980 175.438 1.542 1 1 492 . 10 1 1 A 45 45 GLY N N 45 115.010 114.996 0.014 1 1 493 . 10 1 1 A 45 45 GLY H H 45 9.469 8.710 0.759 1 1 494 . 10 1 1 A 45 45 GLY CA C 45 45.159 44.822 0.337 1 1 495 . 10 1 1 A 45 45 GLY HA2 H 45 3.769 4.416 -0.647 1 1 496 . 10 1 1 A 45 45 GLY HA3 H 45 5.478 4.607 0.871 1 1 497 . 10 1 1 A 45 45 GLY C C 45 170.022 172.542 -2.520 1 1 498 . 10 1 1 A 46 46 GLU N N 46 118.202 120.384 -2.182 1 1 499 . 10 1 1 A 46 46 GLU H H 46 9.072 8.907 0.165 1 1 500 . 10 1 1 A 46 46 GLU CA C 46 54.226 55.416 -1.190 1 1 501 . 10 1 1 A 46 46 GLU HA H 46 5.720 5.508 0.212 1 1 502 . 10 1 1 A 46 46 GLU CB C 46 34.724 33.590 1.134 1 1 508 . 10 1 1 A 46 46 GLU C C 46 174.843 174.811 0.032 1 1 509 . 10 1 1 A 47 47 LEU N N 47 125.182 127.015 -1.833 1 1 510 . 10 1 1 A 47 47 LEU H H 47 8.880 8.826 0.054 1 1 511 . 10 1 1 A 47 47 LEU CA C 47 55.064 54.182 0.882 1 1 512 . 10 1 1 A 47 47 LEU HA H 47 4.711 4.556 0.155 1 1 513 . 10 1 1 A 47 47 LEU CB C 47 45.900 44.998 0.902 1 1 526 . 10 1 1 A 47 47 LEU C C 47 176.130 175.193 0.937 1 1 527 . 10 1 1 A 48 48 ASN N N 48 127.515 124.361 3.154 1 1 528 . 10 1 1 A 48 48 ASN H H 48 9.796 9.314 0.482 1 1 529 . 10 1 1 A 48 48 ASN CA C 48 54.407 54.488 -0.081 1 1 530 . 10 1 1 A 48 48 ASN HA H 48 4.457 4.471 -0.014 1 1 531 . 10 1 1 A 48 48 ASN CB C 48 37.546 37.262 0.284 1 1 537 . 10 1 1 A 48 48 ASN C C 48 174.935 175.583 -0.648 1 1 538 . 10 1 1 A 49 49 GLY N N 49 104.068 105.327 -1.259 1 1 539 . 10 1 1 A 49 49 GLY H H 49 8.891 8.777 0.114 1 1 540 . 10 1 1 A 49 49 GLY CA C 49 45.471 45.986 -0.515 1 1 541 . 10 1 1 A 49 49 GLY HA2 H 49 3.621 3.947 -0.326 1 1 542 . 10 1 1 A 49 49 GLY HA3 H 49 4.230 3.949 0.281 1 1 543 . 10 1 1 A 49 49 GLY C C 49 173.671 173.853 -0.182 1 1 544 . 10 1 1 A 50 50 LEU N N 50 122.996 121.206 1.790 1 1 545 . 10 1 1 A 50 50 LEU H H 50 7.818 8.118 -0.300 1 1 546 . 10 1 1 A 50 50 LEU CA C 50 53.971 53.109 0.862 1 1 547 . 10 1 1 A 50 50 LEU HA H 50 4.727 4.970 -0.243 1 1 548 . 10 1 1 A 50 50 LEU CB C 50 43.482 44.911 -1.429 1 1 561 . 10 1 1 A 50 50 LEU C C 50 174.930 175.775 -0.845 1 1 562 . 10 1 1 A 51 51 ARG N N 51 119.072 122.856 -3.784 1 1 563 . 10 1 1 A 51 51 ARG H H 51 8.410 8.833 -0.423 1 1 564 . 10 1 1 A 51 51 ARG CA C 51 54.020 54.861 -0.841 1 1 565 . 10 1 1 A 51 51 ARG HA H 51 5.843 5.333 0.510 1 1 566 . 10 1 1 A 51 51 ARG CB C 51 34.724 33.082 1.642 1 1 575 . 10 1 1 A 51 51 ARG C C 51 176.707 175.353 1.354 1 1 576 . 10 1 1 A 52 52 GLY N N 52 109.058 112.445 -3.387 1 1 577 . 10 1 1 A 52 52 GLY H H 52 8.661 8.802 -0.141 1 1 578 . 10 1 1 A 52 52 GLY CA C 52 45.683 45.687 -0.004 1 1 579 . 10 1 1 A 52 52 GLY HA2 H 52 3.975 4.478 -0.503 1 1 580 . 10 1 1 A 52 52 GLY HA3 H 52 4.248 4.496 -0.248 1 1 581 . 10 1 1 A 52 52 GLY C C 52 171.261 172.776 -1.515 1 1 582 . 10 1 1 A 53 53 TRP N N 53 119.558 117.911 1.647 1 1 583 . 10 1 1 A 53 53 TRP H H 53 8.825 9.088 -0.263 1 1 584 . 10 1 1 A 53 53 TRP CA C 53 55.402 55.020 0.382 1 1 585 . 10 1 1 A 53 53 TRP HA H 53 6.222 5.769 0.453 1 1 586 . 10 1 1 A 53 53 TRP CB C 53 31.856 32.730 -0.874 1 1 601 . 10 1 1 A 53 53 TRP C C 53 176.100 175.169 0.931 1 1 602 . 10 1 1 A 54 54 PHE N N 54 115.426 115.786 -0.360 1 1 603 . 10 1 1 A 54 54 PHE H H 54 8.976 8.593 0.383 1 1 604 . 10 1 1 A 54 54 PHE CA C 54 55.805 55.371 0.434 1 1 605 . 10 1 1 A 54 54 PHE HA H 54 4.833 4.588 0.245 1 1 606 . 10 1 1 A 54 54 PHE CB C 54 39.295 39.253 0.042 1 1 619 . 10 1 1 A 54 54 PHE C C 54 171.898 171.717 0.181 1 1 620 . 10 1 1 A 55 55 PRO CA C 55 61.963 62.538 -0.575 1 1 621 . 10 1 1 A 55 55 PRO HA H 55 4.654 4.807 -0.153 1 1 622 . 10 1 1 A 55 55 PRO CB C 55 31.179 31.441 -0.262 1 1 631 . 10 1 1 A 55 55 PRO C C 55 177.168 177.805 -0.637 1 1 632 . 10 1 1 A 56 56 ALA N N 56 130.132 128.082 2.050 1 1 633 . 10 1 1 A 56 56 ALA H H 56 7.818 8.444 -0.626 1 1 634 . 10 1 1 A 56 56 ALA CA C 56 55.045 54.641 0.404 1 1 635 . 10 1 1 A 56 56 ALA HA H 56 3.032 3.964 -0.932 1 1 636 . 10 1 1 A 56 56 ALA CB C 56 16.542 17.249 -0.707 1 1 640 . 10 1 1 A 56 56 ALA C C 56 178.595 179.416 -0.821 1 1 641 . 10 1 1 A 57 57 LYS N N 57 110.974 116.450 -5.476 1 1 642 . 10 1 1 A 57 57 LYS H H 57 8.024 8.119 -0.095 1 1 643 . 10 1 1 A 57 57 LYS CA C 57 57.118 58.292 -1.174 1 1 644 . 10 1 1 A 57 57 LYS HA H 57 4.213 4.148 0.065 1 1 645 . 10 1 1 A 57 57 LYS CB C 57 31.641 31.371 0.270 1 1 657 . 10 1 1 A 57 57 LYS C C 57 177.053 177.659 -0.606 1 1 658 . 10 1 1 A 58 58 PHE N N 58 118.768 117.149 1.619 1 1 659 . 10 1 1 A 58 58 PHE H H 58 7.911 7.949 -0.038 1 1 660 . 10 1 1 A 58 58 PHE CA C 58 56.933 58.921 -1.988 1 1 661 . 10 1 1 A 58 58 PHE HA H 58 4.739 4.537 0.202 1 1 662 . 10 1 1 A 58 58 PHE CB C 58 38.643 40.212 -1.569 1 1 675 . 10 1 1 A 58 58 PHE C C 58 174.837 175.751 -0.914 1 1 676 . 10 1 1 A 59 59 VAL N N 59 109.843 113.415 -3.572 1 1 677 . 10 1 1 A 59 59 VAL H H 59 7.796 7.381 0.415 1 1 678 . 10 1 1 A 59 59 VAL CA C 59 58.332 59.342 -1.010 1 1 679 . 10 1 1 A 59 59 VAL HA H 59 5.333 5.058 0.275 1 1 680 . 10 1 1 A 59 59 VAL CB C 59 35.704 35.156 0.548 1 1 690 . 10 1 1 A 59 59 VAL C C 59 173.452 173.926 -0.474 1 1 691 . 10 1 1 A 60 60 GLU N N 60 119.932 121.016 -1.084 1 1 692 . 10 1 1 A 60 60 GLU H H 60 8.699 9.212 -0.513 1 1 693 . 10 1 1 A 60 60 GLU CA C 60 54.202 54.606 -0.404 1 1 694 . 10 1 1 A 60 60 GLU HA H 60 4.863 5.250 -0.387 1 1 695 . 10 1 1 A 60 60 GLU CB C 60 33.573 32.991 0.582 1 1 701 . 10 1 1 A 60 60 GLU C C 60 176.100 175.910 0.190 1 1 702 . 10 1 1 A 61 61 VAL N N 61 127.661 127.141 0.520 1 1 703 . 10 1 1 A 61 61 VAL H H 61 9.107 8.785 0.322 1 1 704 . 10 1 1 A 61 61 VAL CA C 61 64.612 62.917 1.695 1 1 705 . 10 1 1 A 61 61 VAL HA H 61 3.957 4.329 -0.372 1 1 706 . 10 1 1 A 61 61 VAL CB C 61 31.875 32.258 -0.383 1 1 716 . 10 1 1 A 61 61 VAL C C 61 176.294 175.486 0.808 1 1 717 . 10 1 1 A 62 62 LEU N N 62 128.512 125.842 2.670 1 1 718 . 10 1 1 A 62 62 LEU H H 62 8.777 8.295 0.482 1 1 719 . 10 1 1 A 62 62 LEU CA C 62 54.677 53.320 1.357 1 1 720 . 10 1 1 A 62 62 LEU HA H 62 4.456 5.030 -0.574 1 1 721 . 10 1 1 A 62 62 LEU CB C 62 42.548 43.965 -1.417 1 1 734 . 10 1 1 A 62 62 LEU C C 62 176.888 175.277 1.611 1 1 735 . 10 1 1 A 63 63 ASP N N 63 122.605 125.097 -2.492 1 1 736 . 10 1 1 A 63 63 ASP H H 63 8.588 8.969 -0.381 1 1 737 . 10 1 1 A 63 63 ASP CA C 63 53.971 53.016 0.955 1 1 738 . 10 1 1 A 63 63 ASP HA H 63 4.643 4.948 -0.305 1 1 739 . 10 1 1 A 63 63 ASP CB C 63 41.629 40.126 1.503 1 1 742 . 10 1 1 A 63 63 ASP C C 63 176.460 175.160 1.300 1 1 743 . 10 1 1 A 64 64 GLU N N 64 122.614 123.767 -1.153 1 1 744 . 10 1 1 A 64 64 GLU H H 64 8.634 8.589 0.045 1 1 745 . 10 1 1 A 64 64 GLU CA C 64 57.086 55.978 1.108 1 1 746 . 10 1 1 A 64 64 GLU HA H 64 4.158 4.492 -0.334 1 1 747 . 10 1 1 A 64 64 GLU CB C 64 30.055 28.547 1.508 1 1 753 . 10 1 1 A 64 64 GLU C C 64 176.801 175.550 1.251 1 1 754 . 10 1 1 A 65 65 ARG N N 65 120.526 122.266 -1.740 1 1 755 . 10 1 1 A 65 65 ARG H H 65 8.416 8.411 0.005 1 1 756 . 10 1 1 A 65 65 ARG CA C 65 56.430 54.733 1.697 1 1 757 . 10 1 1 A 65 65 ARG HA H 65 4.323 5.176 -0.853 1 1 758 . 10 1 1 A 65 65 ARG CB C 65 30.493 32.777 -2.284 1 1 767 . 10 1 1 A 65 65 ARG C C 65 176.896 174.854 2.042 1 1 768 . 10 1 1 A 66 66 SER N N 66 116.214 117.346 -1.132 1 1 769 . 10 1 1 A 66 66 SER H H 66 8.225 8.911 -0.686 1 1 770 . 10 1 1 A 66 66 SER CA C 66 58.732 56.683 2.049 1 1 771 . 10 1 1 A 66 66 SER HA H 66 4.799 5.257 -0.458 1 1 772 . 10 1 1 A 66 66 SER CB C 66 63.879 65.121 -1.242 1 1 775 . 10 1 1 A 66 66 SER C C 66 175.225 172.941 2.284 1 1 776 . 10 1 1 A 67 67 LYS CA C 67 56.993 54.479 2.514 1 1 777 . 10 1 1 A 67 67 LYS HA H 67 4.270 5.073 -0.803 1 1 778 . 10 1 1 A 67 67 LYS CB C 67 32.724 36.085 -3.361 1 1 790 . 10 1 1 A 68 68 GLU N N 68 120.561 120.049 0.512 1 1 791 . 10 1 1 A 68 68 GLU H H 68 8.417 8.771 -0.354 1 1 792 . 10 1 1 A 68 68 GLU CA C 68 57.144 54.833 2.311 1 1 793 . 10 1 1 A 68 68 GLU HA H 68 4.193 5.156 -0.963 1 1 794 . 10 1 1 A 68 68 GLU CB C 68 30.025 33.401 -3.376 1 1 800 . 10 1 1 A 68 68 GLU C C 68 176.828 175.027 1.801 1 1 801 . 10 1 1 A 69 69 TYR N N 69 120.399 125.156 -4.757 1 1 802 . 10 1 1 A 69 69 TYR H H 69 8.027 8.963 -0.936 1 1 803 . 10 1 1 A 69 69 TYR CA C 69 58.296 57.795 0.501 1 1 804 . 10 1 1 A 69 69 TYR HA H 69 4.504 4.958 -0.454 1 1 805 . 10 1 1 A 69 69 TYR CB C 69 38.965 39.809 -0.844 1 1 816 . 10 1 1 A 69 69 TYR C C 69 176.367 176.221 0.146 1 1 817 . 10 1 1 A 70 70 SER N N 70 117.031 118.571 -1.540 1 1 818 . 10 1 1 A 70 70 SER H H 70 8.067 8.739 -0.672 1 1 819 . 10 1 1 A 70 70 SER CA C 70 58.167 58.879 -0.712 1 1 820 . 10 1 1 A 70 70 SER HA H 70 4.441 4.467 -0.026 1 1 821 . 10 1 1 A 70 70 SER CB C 70 63.911 63.775 0.136 1 1 824 . 10 1 1 A 70 70 SER C C 70 174.448 174.481 -0.033 1 1 825 . 10 1 1 A 71 71 ILE N N 71 122.402 125.306 -2.904 1 1 826 . 10 1 1 A 71 71 ILE H H 71 8.083 8.256 -0.173 1 1 827 . 10 1 1 A 71 71 ILE CA C 71 61.411 62.444 -1.033 1 1 828 . 10 1 1 A 71 71 ILE HA H 71 4.161 3.992 0.169 1 1 829 . 10 1 1 A 71 71 ILE CB C 71 38.779 36.669 2.110 1 1 842 . 10 1 1 A 71 71 ILE C C 71 176.172 175.321 0.851 1 1 843 . 10 1 1 A 72 72 ALA N N 72 127.574 131.550 -3.976 1 1 844 . 10 1 1 A 72 72 ALA H H 72 8.306 8.087 0.219 1 1 845 . 10 1 1 A 72 72 ALA CA C 72 52.631 50.367 2.264 1 1 846 . 10 1 1 A 72 72 ALA HA H 72 4.366 4.810 -0.444 1 1 847 . 10 1 1 A 72 72 ALA CB C 72 19.242 21.609 -2.367 1 1 851 . 10 1 1 A 72 72 ALA C C 72 177.702 177.810 -0.108 1 1 852 . 10 1 1 A 73 73 SER N N 73 115.199 115.576 -0.377 1 1 853 . 10 1 1 A 73 73 SER H H 73 8.223 8.731 -0.508 1 1 854 . 10 1 1 A 73 73 SER CA C 73 58.285 61.075 -2.790 1 1 855 . 10 1 1 A 73 73 SER HA H 73 4.471 4.133 0.338 1 1 856 . 10 1 1 A 73 73 SER CB C 73 64.233 63.490 0.743 1 1 859 . 10 1 1 A 73 73 SER C C 73 174.639 174.575 0.064 1 1 860 . 10 1 1 A 74 74 GLY N N 74 110.616 107.443 3.173 1 1 861 . 10 1 1 A 74 74 GLY H H 74 8.185 7.346 0.839 1 1 862 . 10 1 1 A 74 74 GLY CA C 74 44.677 45.658 -0.981 1 1 863 . 10 1 1 A 74 74 GLY HA2 H 74 4.171 4.088 0.083 1 1 864 . 10 1 1 A 74 74 GLY HA3 H 74 4.107 4.089 0.018 1 1 865 . 10 1 1 A 74 74 GLY C C 74 171.850 171.988 -0.138 1 1 866 . 10 1 1 A 75 75 PRO CA C 75 63.266 62.698 0.568 1 1 867 . 10 1 1 A 75 75 PRO HA H 75 4.487 4.634 -0.147 1 1 868 . 10 1 1 A 75 75 PRO CB C 75 32.196 31.588 0.608 1 1 877 . 10 1 1 A 76 76 SER N N 76 116.439 120.486 -4.047 1 1 878 . 10 1 1 A 76 76 SER H H 76 8.562 8.682 -0.120 1 1 879 . 10 1 1 A 76 76 SER CA C 76 58.747 57.784 0.963 1 1 880 . 10 1 1 A 76 76 SER CB C 76 64.105 66.793 -2.688 1 1 1 . 11 1 1 A 6 6 SER CA C 6 58.690 57.359 1.331 1 1 2 . 11 1 1 A 6 6 SER HA H 6 4.411 4.980 -0.569 1 1 3 . 11 1 1 A 7 7 GLY N N 7 110.826 113.909 -3.083 1 1 4 . 11 1 1 A 7 7 GLY H H 7 8.436 8.992 -0.556 1 1 5 . 11 1 1 A 7 7 GLY CA C 7 45.315 44.853 0.462 1 1 6 . 11 1 1 A 7 7 GLY HA2 H 7 4.029 4.205 -0.176 1 1 7 . 11 1 1 A 7 7 GLY HA3 H 7 3.918 4.212 -0.294 1 1 8 . 11 1 1 A 7 7 GLY C C 7 173.788 172.322 1.466 1 1 9 . 11 1 1 A 8 8 ARG N N 8 120.458 124.121 -3.663 1 1 10 . 11 1 1 A 8 8 ARG H H 8 8.272 8.835 -0.563 1 1 11 . 11 1 1 A 8 8 ARG CA C 8 55.715 53.993 1.722 1 1 12 . 11 1 1 A 8 8 ARG HA H 8 4.500 5.329 -0.829 1 1 13 . 11 1 1 A 8 8 ARG CB C 8 31.541 34.227 -2.686 1 1 22 . 11 1 1 A 8 8 ARG C C 8 175.201 175.208 -0.007 1 1 23 . 11 1 1 A 9 9 ARG N N 9 121.537 120.093 1.444 1 1 24 . 11 1 1 A 9 9 ARG H H 9 8.879 8.549 0.330 1 1 25 . 11 1 1 A 9 9 ARG CA C 9 54.737 54.133 0.604 1 1 26 . 11 1 1 A 9 9 ARG HA H 9 5.288 5.361 -0.073 1 1 27 . 11 1 1 A 9 9 ARG CB C 9 34.064 33.897 0.167 1 1 36 . 11 1 1 A 9 9 ARG C C 9 174.910 174.428 0.482 1 1 37 . 11 1 1 A 10 10 ALA N N 10 122.000 125.878 -3.878 1 1 38 . 11 1 1 A 10 10 ALA H H 10 9.200 8.875 0.325 1 1 39 . 11 1 1 A 10 10 ALA CA C 10 50.229 50.001 0.228 1 1 40 . 11 1 1 A 10 10 ALA HA H 10 5.143 5.823 -0.680 1 1 41 . 11 1 1 A 10 10 ALA CB C 10 23.552 22.119 1.433 1 1 45 . 11 1 1 A 10 10 ALA C C 10 173.920 175.162 -1.242 1 1 46 . 11 1 1 A 11 11 LYS N N 11 121.984 122.536 -0.552 1 1 47 . 11 1 1 A 11 11 LYS H H 11 8.962 8.940 0.022 1 1 48 . 11 1 1 A 11 11 LYS CA C 11 53.936 54.744 -0.808 1 1 49 . 11 1 1 A 11 11 LYS HA H 11 5.043 4.748 0.295 1 1 50 . 11 1 1 A 11 11 LYS CB C 11 35.705 34.739 0.966 1 1 62 . 11 1 1 A 11 11 LYS C C 11 176.193 176.163 0.030 1 1 63 . 11 1 1 A 12 12 ALA N N 12 128.384 128.709 -0.325 1 1 64 . 11 1 1 A 12 12 ALA H H 12 8.974 8.561 0.413 1 1 65 . 11 1 1 A 12 12 ALA CA C 12 52.878 52.457 0.421 1 1 66 . 11 1 1 A 12 12 ALA HA H 12 4.271 4.327 -0.056 1 1 67 . 11 1 1 A 12 12 ALA CB C 12 21.024 18.704 2.320 1 1 71 . 11 1 1 A 12 12 ALA C C 12 179.524 177.671 1.853 1 1 72 . 11 1 1 A 13 13 LEU N N 13 126.125 125.091 1.034 1 1 73 . 11 1 1 A 13 13 LEU H H 13 9.490 8.903 0.587 1 1 74 . 11 1 1 A 13 13 LEU CA C 13 55.697 55.682 0.015 1 1 75 . 11 1 1 A 13 13 LEU HA H 13 4.258 4.271 -0.013 1 1 76 . 11 1 1 A 13 13 LEU CB C 13 43.073 42.843 0.230 1 1 89 . 11 1 1 A 13 13 LEU C C 13 175.705 176.720 -1.015 1 1 90 . 11 1 1 A 14 14 LEU N N 14 116.229 114.406 1.823 1 1 91 . 11 1 1 A 14 14 LEU H H 14 7.638 7.606 0.032 1 1 92 . 11 1 1 A 14 14 LEU CA C 14 53.715 53.800 -0.085 1 1 93 . 11 1 1 A 14 14 LEU HA H 14 4.436 4.663 -0.227 1 1 94 . 11 1 1 A 14 14 LEU CB C 14 45.286 43.762 1.524 1 1 107 . 11 1 1 A 14 14 LEU C C 14 173.987 174.803 -0.816 1 1 108 . 11 1 1 A 15 15 ASP N N 15 116.528 118.485 -1.957 1 1 109 . 11 1 1 A 15 15 ASP H H 15 8.047 8.511 -0.464 1 1 110 . 11 1 1 A 15 15 ASP CA C 15 54.712 54.155 0.557 1 1 111 . 11 1 1 A 15 15 ASP HA H 15 4.628 5.046 -0.418 1 1 112 . 11 1 1 A 15 15 ASP CB C 15 41.437 41.464 -0.027 1 1 115 . 11 1 1 A 16 16 PHE N N 16 123.405 126.343 -2.938 1 1 116 . 11 1 1 A 16 16 PHE H H 16 8.414 9.172 -0.758 1 1 117 . 11 1 1 A 16 16 PHE CA C 16 56.555 56.868 -0.313 1 1 118 . 11 1 1 A 16 16 PHE HA H 16 4.576 4.678 -0.102 1 1 119 . 11 1 1 A 16 16 PHE CB C 16 41.647 39.330 2.317 1 1 132 . 11 1 1 A 17 17 GLU N N 17 127.173 125.296 1.877 1 1 133 . 11 1 1 A 17 17 GLU H H 17 7.775 8.361 -0.586 1 1 134 . 11 1 1 A 17 17 GLU CA C 17 54.469 54.982 -0.513 1 1 135 . 11 1 1 A 17 17 GLU HA H 17 4.025 4.318 -0.293 1 1 136 . 11 1 1 A 17 17 GLU CB C 17 30.119 29.872 0.247 1 1 142 . 11 1 1 A 17 17 GLU C C 17 174.327 175.644 -1.317 1 1 143 . 11 1 1 A 18 18 ARG N N 18 123.112 125.469 -2.357 1 1 144 . 11 1 1 A 18 18 ARG H H 18 7.721 8.166 -0.445 1 1 145 . 11 1 1 A 18 18 ARG CA C 18 55.738 56.144 -0.406 1 1 146 . 11 1 1 A 18 18 ARG HA H 18 3.665 3.658 0.007 1 1 147 . 11 1 1 A 18 18 ARG CB C 18 30.846 30.567 0.279 1 1 156 . 11 1 1 A 18 18 ARG C C 18 175.954 176.542 -0.588 1 1 157 . 11 1 1 A 19 19 HIS N N 19 121.992 120.880 1.112 1 1 158 . 11 1 1 A 19 19 HIS H H 19 9.200 8.579 0.621 1 1 159 . 11 1 1 A 19 19 HIS CA C 19 56.774 58.814 -2.040 1 1 160 . 11 1 1 A 19 19 HIS HA H 19 4.612 4.295 0.317 1 1 161 . 11 1 1 A 19 19 HIS CB C 19 30.061 31.022 -0.961 1 1 168 . 11 1 1 A 19 19 HIS C C 19 174.151 173.691 0.460 1 1 169 . 11 1 1 A 20 20 ASP N N 20 119.946 117.491 2.455 1 1 170 . 11 1 1 A 20 20 ASP H H 20 8.160 7.985 0.175 1 1 171 . 11 1 1 A 20 20 ASP CA C 20 53.371 52.179 1.192 1 1 172 . 11 1 1 A 20 20 ASP HA H 20 4.785 4.842 -0.057 1 1 173 . 11 1 1 A 20 20 ASP CB C 20 43.492 43.089 0.403 1 1 176 . 11 1 1 A 20 20 ASP C C 20 176.571 175.999 0.572 1 1 177 . 11 1 1 A 21 21 ASP N N 21 119.329 124.343 -5.014 1 1 178 . 11 1 1 A 21 21 ASP H H 21 8.686 9.009 -0.323 1 1 179 . 11 1 1 A 21 21 ASP CA C 21 56.641 57.633 -0.992 1 1 180 . 11 1 1 A 21 21 ASP HA H 21 4.439 4.286 0.153 1 1 181 . 11 1 1 A 21 21 ASP CB C 21 40.977 40.174 0.803 1 1 184 . 11 1 1 A 21 21 ASP C C 21 176.619 177.926 -1.307 1 1 185 . 11 1 1 A 22 22 ASP N N 22 116.501 118.464 -1.963 1 1 186 . 11 1 1 A 22 22 ASP H H 22 8.702 8.190 0.512 1 1 187 . 11 1 1 A 22 22 ASP CA C 22 54.535 57.640 -3.105 1 1 188 . 11 1 1 A 22 22 ASP HA H 22 4.769 4.520 0.249 1 1 189 . 11 1 1 A 22 22 ASP CB C 22 40.833 40.835 -0.002 1 1 192 . 11 1 1 A 22 22 ASP C C 22 176.139 177.676 -1.537 1 1 193 . 11 1 1 A 23 23 GLU N N 23 119.696 117.820 1.876 1 1 194 . 11 1 1 A 23 23 GLU H H 23 7.540 7.813 -0.273 1 1 195 . 11 1 1 A 23 23 GLU CA C 23 55.398 57.049 -1.651 1 1 196 . 11 1 1 A 23 23 GLU HA H 23 4.519 3.822 0.697 1 1 197 . 11 1 1 A 23 23 GLU CB C 23 32.584 29.837 2.747 1 1 203 . 11 1 1 A 23 23 GLU C C 23 175.760 175.940 -0.180 1 1 204 . 11 1 1 A 24 24 LEU N N 24 125.257 126.293 -1.036 1 1 205 . 11 1 1 A 24 24 LEU H H 24 8.766 8.916 -0.150 1 1 206 . 11 1 1 A 24 24 LEU CA C 24 53.525 53.930 -0.405 1 1 207 . 11 1 1 A 24 24 LEU HA H 24 4.410 4.874 -0.464 1 1 208 . 11 1 1 A 24 24 LEU CB C 24 44.685 44.030 0.655 1 1 221 . 11 1 1 A 24 24 LEU C C 24 173.987 175.419 -1.432 1 1 222 . 11 1 1 A 25 25 GLY N N 25 107.345 114.281 -6.936 1 1 223 . 11 1 1 A 25 25 GLY H H 25 7.584 8.884 -1.300 1 1 224 . 11 1 1 A 25 25 GLY CA C 25 44.096 45.069 -0.973 1 1 225 . 11 1 1 A 25 25 GLY HA2 H 25 3.361 3.603 -0.242 1 1 226 . 11 1 1 A 25 25 GLY HA3 H 25 4.260 3.805 0.455 1 1 227 . 11 1 1 A 25 25 GLY C C 25 173.720 172.379 1.341 1 1 228 . 11 1 1 A 26 26 PHE N N 26 114.043 117.470 -3.427 1 1 229 . 11 1 1 A 26 26 PHE H H 26 8.330 8.121 0.209 1 1 230 . 11 1 1 A 26 26 PHE CA C 26 56.440 56.028 0.412 1 1 231 . 11 1 1 A 26 26 PHE HA H 26 4.749 5.216 -0.467 1 1 232 . 11 1 1 A 26 26 PHE CB C 26 40.494 41.524 -1.030 1 1 245 . 11 1 1 A 26 26 PHE C C 26 174.820 172.601 2.219 1 1 246 . 11 1 1 A 27 27 ARG N N 27 120.928 119.835 1.093 1 1 247 . 11 1 1 A 27 27 ARG H H 27 9.597 8.621 0.976 1 1 248 . 11 1 1 A 27 27 ARG CA C 27 53.054 54.630 -1.576 1 1 249 . 11 1 1 A 27 27 ARG HA H 27 4.974 5.110 -0.136 1 1 250 . 11 1 1 A 27 27 ARG CB C 27 32.687 32.300 0.387 1 1 259 . 11 1 1 A 27 27 ARG C C 27 175.511 175.588 -0.077 1 1 260 . 11 1 1 A 28 28 LYS N N 28 120.682 122.303 -1.621 1 1 261 . 11 1 1 A 28 28 LYS H H 28 8.922 8.938 -0.016 1 1 262 . 11 1 1 A 28 28 LYS CA C 28 59.064 57.381 1.683 1 1 263 . 11 1 1 A 28 28 LYS HA H 28 3.220 4.097 -0.877 1 1 264 . 11 1 1 A 28 28 LYS CB C 28 32.826 32.708 0.118 1 1 276 . 11 1 1 A 28 28 LYS C C 28 177.019 177.241 -0.222 1 1 277 . 11 1 1 A 29 29 ASN N N 29 117.470 119.111 -1.641 1 1 278 . 11 1 1 A 29 29 ASN H H 29 8.728 9.383 -0.655 1 1 279 . 11 1 1 A 29 29 ASN CA C 29 56.477 54.244 2.233 1 1 280 . 11 1 1 A 29 29 ASN HA H 29 4.148 4.247 -0.099 1 1 281 . 11 1 1 A 29 29 ASN CB C 29 37.170 37.375 -0.205 1 1 287 . 11 1 1 A 29 29 ASN C C 29 174.716 173.717 0.999 1 1 288 . 11 1 1 A 30 30 ASP N N 30 122.549 117.507 5.042 1 1 289 . 11 1 1 A 30 30 ASP H H 30 8.527 7.863 0.664 1 1 290 . 11 1 1 A 30 30 ASP CA C 30 56.167 53.348 2.819 1 1 291 . 11 1 1 A 30 30 ASP HA H 30 4.596 4.967 -0.371 1 1 292 . 11 1 1 A 30 30 ASP CB C 30 41.797 42.529 -0.732 1 1 295 . 11 1 1 A 30 30 ASP C C 30 175.177 175.576 -0.399 1 1 296 . 11 1 1 A 31 31 ILE N N 31 119.187 124.370 -5.183 1 1 297 . 11 1 1 A 31 31 ILE H H 31 8.267 8.616 -0.349 1 1 298 . 11 1 1 A 31 31 ILE CA C 31 59.191 61.585 -2.394 1 1 299 . 11 1 1 A 31 31 ILE HA H 31 4.819 4.343 0.476 1 1 300 . 11 1 1 A 31 31 ILE CB C 31 36.702 37.681 -0.979 1 1 313 . 11 1 1 A 31 31 ILE C C 31 175.437 175.316 0.121 1 1 314 . 11 1 1 A 32 32 ILE N N 32 129.566 126.837 2.729 1 1 315 . 11 1 1 A 32 32 ILE H H 32 9.247 8.454 0.793 1 1 316 . 11 1 1 A 32 32 ILE CA C 32 60.211 59.733 0.478 1 1 317 . 11 1 1 A 32 32 ILE HA H 32 4.140 4.616 -0.476 1 1 318 . 11 1 1 A 32 32 ILE CB C 32 41.978 41.532 0.446 1 1 331 . 11 1 1 A 32 32 ILE C C 32 176.197 175.176 1.021 1 1 332 . 11 1 1 A 33 33 THR N N 33 123.061 122.497 0.564 1 1 333 . 11 1 1 A 33 33 THR H H 33 8.741 8.419 0.322 1 1 334 . 11 1 1 A 33 33 THR CA C 33 63.117 62.966 0.151 1 1 335 . 11 1 1 A 33 33 THR HA H 33 4.583 4.504 0.079 1 1 336 . 11 1 1 A 33 33 THR CB C 33 69.626 69.296 0.330 1 1 342 . 11 1 1 A 33 33 THR C C 33 174.011 174.096 -0.085 1 1 343 . 11 1 1 A 34 34 ILE N N 34 128.281 126.443 1.838 1 1 344 . 11 1 1 A 34 34 ILE H H 34 9.110 9.102 0.008 1 1 345 . 11 1 1 A 34 34 ILE CA C 34 61.566 60.703 0.863 1 1 346 . 11 1 1 A 34 34 ILE HA H 34 4.117 4.440 -0.323 1 1 347 . 11 1 1 A 34 34 ILE CB C 34 36.785 37.669 -0.884 1 1 360 . 11 1 1 A 34 34 ILE C C 34 175.420 175.466 -0.046 1 1 361 . 11 1 1 A 35 35 ILE N N 35 128.859 129.863 -1.004 1 1 362 . 11 1 1 A 35 35 ILE H H 35 9.359 8.900 0.459 1 1 363 . 11 1 1 A 35 35 ILE CA C 35 60.949 62.993 -2.044 1 1 364 . 11 1 1 A 35 35 ILE HA H 35 4.224 4.071 0.153 1 1 365 . 11 1 1 A 35 35 ILE CB C 35 38.186 38.233 -0.047 1 1 378 . 11 1 1 A 35 35 ILE C C 35 176.253 175.955 0.298 1 1 379 . 11 1 1 A 36 36 SER N N 36 111.665 113.444 -1.779 1 1 380 . 11 1 1 A 36 36 SER H H 36 7.882 7.825 0.057 1 1 381 . 11 1 1 A 36 36 SER CA C 36 57.605 56.550 1.055 1 1 382 . 11 1 1 A 36 36 SER HA H 36 4.525 4.791 -0.266 1 1 383 . 11 1 1 A 36 36 SER CB C 36 64.435 65.839 -1.404 1 1 386 . 11 1 1 A 36 36 SER C C 36 172.845 172.547 0.298 1 1 387 . 11 1 1 A 37 37 GLN N N 37 116.906 122.402 -5.496 1 1 388 . 11 1 1 A 37 37 GLN H H 37 8.055 8.589 -0.534 1 1 389 . 11 1 1 A 37 37 GLN CA C 37 54.718 53.931 0.787 1 1 390 . 11 1 1 A 37 37 GLN HA H 37 4.420 4.810 -0.390 1 1 391 . 11 1 1 A 37 37 GLN CB C 37 29.381 28.591 0.790 1 1 400 . 11 1 1 A 37 37 GLN C C 37 175.080 175.953 -0.873 1 1 401 . 11 1 1 A 38 38 LYS N N 38 124.909 125.277 -0.368 1 1 402 . 11 1 1 A 38 38 LYS H H 38 8.046 8.590 -0.544 1 1 403 . 11 1 1 A 38 38 LYS CA C 38 58.998 59.941 -0.943 1 1 404 . 11 1 1 A 38 38 LYS HA H 38 4.076 3.976 0.100 1 1 405 . 11 1 1 A 38 38 LYS CB C 38 33.116 32.767 0.349 1 1 417 . 11 1 1 A 38 38 LYS C C 38 176.508 175.919 0.589 1 1 418 . 11 1 1 A 39 39 ASP N N 39 117.133 116.761 0.372 1 1 419 . 11 1 1 A 39 39 ASP H H 39 8.296 8.148 0.148 1 1 420 . 11 1 1 A 39 39 ASP CA C 39 53.294 52.358 0.936 1 1 421 . 11 1 1 A 39 39 ASP HA H 39 4.558 4.953 -0.395 1 1 422 . 11 1 1 A 39 39 ASP CB C 39 41.847 43.560 -1.713 1 1 425 . 11 1 1 A 39 39 ASP C C 39 175.201 175.544 -0.343 1 1 426 . 11 1 1 A 40 40 GLU N N 40 116.223 123.616 -7.393 1 1 427 . 11 1 1 A 40 40 GLU H H 40 8.564 8.880 -0.316 1 1 428 . 11 1 1 A 40 40 GLU CA C 40 58.748 59.617 -0.869 1 1 429 . 11 1 1 A 40 40 GLU HA H 40 4.088 4.124 -0.036 1 1 430 . 11 1 1 A 40 40 GLU CB C 40 29.696 29.137 0.559 1 1 436 . 11 1 1 A 40 40 GLU C C 40 176.367 178.060 -1.693 1 1 437 . 11 1 1 A 41 41 HIS N N 41 114.612 114.489 0.123 1 1 438 . 11 1 1 A 41 41 HIS H H 41 8.383 7.052 1.331 1 1 439 . 11 1 1 A 41 41 HIS CA C 41 56.873 57.595 -0.722 1 1 440 . 11 1 1 A 41 41 HIS HA H 41 4.613 4.316 0.297 1 1 441 . 11 1 1 A 41 41 HIS CB C 41 32.910 31.580 1.330 1 1 448 . 11 1 1 A 41 41 HIS C C 41 176.755 174.724 2.031 1 1 449 . 11 1 1 A 42 42 CYS N N 42 122.290 116.929 5.361 1 1 450 . 11 1 1 A 42 42 CYS H H 42 8.337 7.535 0.802 1 1 451 . 11 1 1 A 42 42 CYS CA C 42 58.168 57.346 0.822 1 1 452 . 11 1 1 A 42 42 CYS HA H 42 4.885 4.746 0.139 1 1 453 . 11 1 1 A 42 42 CYS CB C 42 29.227 28.848 0.379 1 1 456 . 11 1 1 A 42 42 CYS C C 42 172.892 174.163 -1.271 1 1 457 . 11 1 1 A 43 43 TRP N N 43 127.114 123.473 3.641 1 1 458 . 11 1 1 A 43 43 TRP H H 43 8.333 8.699 -0.366 1 1 459 . 11 1 1 A 43 43 TRP CA C 43 53.262 55.923 -2.661 1 1 460 . 11 1 1 A 43 43 TRP HA H 43 5.307 5.185 0.122 1 1 461 . 11 1 1 A 43 43 TRP CB C 43 33.323 32.614 0.709 1 1 476 . 11 1 1 A 43 43 TRP C C 43 173.064 174.985 -1.921 1 1 477 . 11 1 1 A 44 44 VAL N N 44 117.650 121.616 -3.966 1 1 478 . 11 1 1 A 44 44 VAL H H 44 8.591 8.719 -0.128 1 1 479 . 11 1 1 A 44 44 VAL CA C 44 61.801 61.067 0.734 1 1 480 . 11 1 1 A 44 44 VAL HA H 44 4.739 5.003 -0.264 1 1 481 . 11 1 1 A 44 44 VAL CB C 44 32.962 32.765 0.197 1 1 491 . 11 1 1 A 44 44 VAL C C 44 176.980 175.457 1.523 1 1 492 . 11 1 1 A 45 45 GLY N N 45 115.010 114.975 0.035 1 1 493 . 11 1 1 A 45 45 GLY H H 45 9.469 8.808 0.661 1 1 494 . 11 1 1 A 45 45 GLY CA C 45 45.159 44.673 0.486 1 1 495 . 11 1 1 A 45 45 GLY HA2 H 45 3.769 4.397 -0.628 1 1 496 . 11 1 1 A 45 45 GLY HA3 H 45 5.478 4.601 0.877 1 1 497 . 11 1 1 A 45 45 GLY C C 45 170.022 172.659 -2.637 1 1 498 . 11 1 1 A 46 46 GLU N N 46 118.202 120.481 -2.279 1 1 499 . 11 1 1 A 46 46 GLU H H 46 9.072 8.964 0.108 1 1 500 . 11 1 1 A 46 46 GLU CA C 46 54.226 55.296 -1.070 1 1 501 . 11 1 1 A 46 46 GLU HA H 46 5.720 5.617 0.103 1 1 502 . 11 1 1 A 46 46 GLU CB C 46 34.724 33.401 1.323 1 1 508 . 11 1 1 A 46 46 GLU C C 46 174.843 174.595 0.248 1 1 509 . 11 1 1 A 47 47 LEU N N 47 125.182 126.998 -1.816 1 1 510 . 11 1 1 A 47 47 LEU H H 47 8.880 9.012 -0.132 1 1 511 . 11 1 1 A 47 47 LEU CA C 47 55.064 53.984 1.080 1 1 512 . 11 1 1 A 47 47 LEU HA H 47 4.711 4.614 0.097 1 1 513 . 11 1 1 A 47 47 LEU CB C 47 45.900 45.330 0.570 1 1 526 . 11 1 1 A 47 47 LEU C C 47 176.130 175.275 0.855 1 1 527 . 11 1 1 A 48 48 ASN N N 48 127.515 124.990 2.525 1 1 528 . 11 1 1 A 48 48 ASN H H 48 9.796 9.343 0.453 1 1 529 . 11 1 1 A 48 48 ASN CA C 48 54.407 54.475 -0.068 1 1 530 . 11 1 1 A 48 48 ASN HA H 48 4.457 4.458 -0.001 1 1 531 . 11 1 1 A 48 48 ASN CB C 48 37.546 37.422 0.124 1 1 537 . 11 1 1 A 48 48 ASN C C 48 174.935 175.454 -0.519 1 1 538 . 11 1 1 A 49 49 GLY N N 49 104.068 103.885 0.183 1 1 539 . 11 1 1 A 49 49 GLY H H 49 8.891 8.432 0.459 1 1 540 . 11 1 1 A 49 49 GLY CA C 49 45.471 46.316 -0.845 1 1 541 . 11 1 1 A 49 49 GLY HA2 H 49 3.621 3.939 -0.318 1 1 542 . 11 1 1 A 49 49 GLY HA3 H 49 4.230 3.943 0.287 1 1 543 . 11 1 1 A 49 49 GLY C C 49 173.671 173.918 -0.247 1 1 544 . 11 1 1 A 50 50 LEU N N 50 122.996 120.649 2.347 1 1 545 . 11 1 1 A 50 50 LEU H H 50 7.818 8.077 -0.259 1 1 546 . 11 1 1 A 50 50 LEU CA C 50 53.971 53.827 0.144 1 1 547 . 11 1 1 A 50 50 LEU HA H 50 4.727 4.713 0.014 1 1 548 . 11 1 1 A 50 50 LEU CB C 50 43.482 44.810 -1.328 1 1 561 . 11 1 1 A 50 50 LEU C C 50 174.930 175.182 -0.252 1 1 562 . 11 1 1 A 51 51 ARG N N 51 119.072 123.121 -4.049 1 1 563 . 11 1 1 A 51 51 ARG H H 51 8.410 8.806 -0.396 1 1 564 . 11 1 1 A 51 51 ARG CA C 51 54.020 54.759 -0.739 1 1 565 . 11 1 1 A 51 51 ARG HA H 51 5.843 5.266 0.577 1 1 566 . 11 1 1 A 51 51 ARG CB C 51 34.724 31.895 2.829 1 1 575 . 11 1 1 A 51 51 ARG C C 51 176.707 175.587 1.120 1 1 576 . 11 1 1 A 52 52 GLY N N 52 109.058 110.075 -1.017 1 1 577 . 11 1 1 A 52 52 GLY H H 52 8.661 8.300 0.361 1 1 578 . 11 1 1 A 52 52 GLY CA C 52 45.683 45.758 -0.075 1 1 579 . 11 1 1 A 52 52 GLY HA2 H 52 3.975 4.429 -0.454 1 1 580 . 11 1 1 A 52 52 GLY HA3 H 52 4.248 4.455 -0.207 1 1 581 . 11 1 1 A 52 52 GLY C C 52 171.261 172.752 -1.491 1 1 582 . 11 1 1 A 53 53 TRP N N 53 119.558 117.561 1.997 1 1 583 . 11 1 1 A 53 53 TRP H H 53 8.825 8.520 0.305 1 1 584 . 11 1 1 A 53 53 TRP CA C 53 55.402 55.340 0.062 1 1 585 . 11 1 1 A 53 53 TRP HA H 53 6.222 5.688 0.534 1 1 586 . 11 1 1 A 53 53 TRP CB C 53 31.856 32.422 -0.566 1 1 601 . 11 1 1 A 53 53 TRP C C 53 176.100 175.492 0.608 1 1 602 . 11 1 1 A 54 54 PHE N N 54 115.426 115.748 -0.322 1 1 603 . 11 1 1 A 54 54 PHE H H 54 8.976 8.588 0.388 1 1 604 . 11 1 1 A 54 54 PHE CA C 54 55.805 55.759 0.046 1 1 605 . 11 1 1 A 54 54 PHE HA H 54 4.833 4.762 0.071 1 1 606 . 11 1 1 A 54 54 PHE CB C 54 39.295 39.560 -0.265 1 1 619 . 11 1 1 A 54 54 PHE C C 54 171.898 171.905 -0.007 1 1 620 . 11 1 1 A 55 55 PRO CA C 55 61.963 62.606 -0.643 1 1 621 . 11 1 1 A 55 55 PRO HA H 55 4.654 4.769 -0.115 1 1 622 . 11 1 1 A 55 55 PRO CB C 55 31.179 31.404 -0.225 1 1 631 . 11 1 1 A 55 55 PRO C C 55 177.168 177.841 -0.673 1 1 632 . 11 1 1 A 56 56 ALA N N 56 130.132 128.302 1.830 1 1 633 . 11 1 1 A 56 56 ALA H H 56 7.818 8.621 -0.803 1 1 634 . 11 1 1 A 56 56 ALA CA C 56 55.045 55.064 -0.019 1 1 635 . 11 1 1 A 56 56 ALA HA H 56 3.032 4.027 -0.995 1 1 636 . 11 1 1 A 56 56 ALA CB C 56 16.542 17.127 -0.585 1 1 640 . 11 1 1 A 56 56 ALA C C 56 178.595 179.740 -1.145 1 1 641 . 11 1 1 A 57 57 LYS N N 57 110.974 116.009 -5.035 1 1 642 . 11 1 1 A 57 57 LYS H H 57 8.024 8.016 0.008 1 1 643 . 11 1 1 A 57 57 LYS CA C 57 57.118 58.995 -1.877 1 1 644 . 11 1 1 A 57 57 LYS HA H 57 4.213 4.057 0.156 1 1 645 . 11 1 1 A 57 57 LYS CB C 57 31.641 32.154 -0.513 1 1 657 . 11 1 1 A 57 57 LYS C C 57 177.053 178.561 -1.508 1 1 658 . 11 1 1 A 58 58 PHE N N 58 118.768 118.507 0.261 1 1 659 . 11 1 1 A 58 58 PHE H H 58 7.911 7.925 -0.014 1 1 660 . 11 1 1 A 58 58 PHE CA C 58 56.933 60.706 -3.773 1 1 661 . 11 1 1 A 58 58 PHE HA H 58 4.739 4.259 0.480 1 1 662 . 11 1 1 A 58 58 PHE CB C 58 38.643 38.854 -0.211 1 1 675 . 11 1 1 A 58 58 PHE C C 58 174.837 175.812 -0.975 1 1 676 . 11 1 1 A 59 59 VAL N N 59 109.843 114.328 -4.485 1 1 677 . 11 1 1 A 59 59 VAL H H 59 7.796 7.318 0.478 1 1 678 . 11 1 1 A 59 59 VAL CA C 59 58.332 59.553 -1.221 1 1 679 . 11 1 1 A 59 59 VAL HA H 59 5.333 4.780 0.553 1 1 680 . 11 1 1 A 59 59 VAL CB C 59 35.704 34.176 1.528 1 1 690 . 11 1 1 A 59 59 VAL C C 59 173.452 174.017 -0.565 1 1 691 . 11 1 1 A 60 60 GLU N N 60 119.932 121.050 -1.118 1 1 692 . 11 1 1 A 60 60 GLU H H 60 8.699 9.083 -0.384 1 1 693 . 11 1 1 A 60 60 GLU CA C 60 54.202 54.611 -0.409 1 1 694 . 11 1 1 A 60 60 GLU HA H 60 4.863 5.204 -0.341 1 1 695 . 11 1 1 A 60 60 GLU CB C 60 33.573 33.348 0.225 1 1 701 . 11 1 1 A 60 60 GLU C C 60 176.100 175.887 0.213 1 1 702 . 11 1 1 A 61 61 VAL N N 61 127.661 126.607 1.054 1 1 703 . 11 1 1 A 61 61 VAL H H 61 9.107 8.733 0.374 1 1 704 . 11 1 1 A 61 61 VAL CA C 61 64.612 62.977 1.635 1 1 705 . 11 1 1 A 61 61 VAL HA H 61 3.957 4.407 -0.450 1 1 706 . 11 1 1 A 61 61 VAL CB C 61 31.875 32.304 -0.429 1 1 716 . 11 1 1 A 61 61 VAL C C 61 176.294 175.398 0.896 1 1 717 . 11 1 1 A 62 62 LEU N N 62 128.512 126.551 1.961 1 1 718 . 11 1 1 A 62 62 LEU H H 62 8.777 8.274 0.503 1 1 719 . 11 1 1 A 62 62 LEU CA C 62 54.677 53.511 1.166 1 1 720 . 11 1 1 A 62 62 LEU HA H 62 4.456 5.083 -0.627 1 1 721 . 11 1 1 A 62 62 LEU CB C 62 42.548 45.573 -3.025 1 1 734 . 11 1 1 A 62 62 LEU C C 62 176.888 175.571 1.317 1 1 735 . 11 1 1 A 63 63 ASP N N 63 122.605 123.685 -1.080 1 1 736 . 11 1 1 A 63 63 ASP H H 63 8.588 8.962 -0.374 1 1 737 . 11 1 1 A 63 63 ASP CA C 63 53.971 53.069 0.902 1 1 738 . 11 1 1 A 63 63 ASP HA H 63 4.643 5.360 -0.717 1 1 739 . 11 1 1 A 63 63 ASP CB C 63 41.629 42.342 -0.713 1 1 742 . 11 1 1 A 63 63 ASP C C 63 176.460 175.389 1.071 1 1 743 . 11 1 1 A 64 64 GLU N N 64 122.614 122.361 0.253 1 1 744 . 11 1 1 A 64 64 GLU H H 64 8.634 8.789 -0.155 1 1 745 . 11 1 1 A 64 64 GLU CA C 64 57.086 54.837 2.249 1 1 746 . 11 1 1 A 64 64 GLU HA H 64 4.158 5.038 -0.880 1 1 747 . 11 1 1 A 64 64 GLU CB C 64 30.055 31.829 -1.774 1 1 753 . 11 1 1 A 64 64 GLU C C 64 176.801 175.376 1.425 1 1 754 . 11 1 1 A 65 65 ARG N N 65 120.526 124.302 -3.776 1 1 755 . 11 1 1 A 65 65 ARG H H 65 8.416 8.787 -0.371 1 1 756 . 11 1 1 A 65 65 ARG CA C 65 56.430 54.457 1.973 1 1 757 . 11 1 1 A 65 65 ARG HA H 65 4.323 5.110 -0.787 1 1 758 . 11 1 1 A 65 65 ARG CB C 65 30.493 33.583 -3.090 1 1 767 . 11 1 1 A 65 65 ARG C C 65 176.896 174.973 1.923 1 1 768 . 11 1 1 A 66 66 SER N N 66 116.214 115.070 1.144 1 1 769 . 11 1 1 A 66 66 SER H H 66 8.225 8.588 -0.363 1 1 770 . 11 1 1 A 66 66 SER CA C 66 58.732 56.652 2.080 1 1 771 . 11 1 1 A 66 66 SER HA H 66 4.799 4.904 -0.105 1 1 772 . 11 1 1 A 66 66 SER CB C 66 63.879 64.670 -0.791 1 1 775 . 11 1 1 A 66 66 SER C C 66 175.225 173.393 1.832 1 1 776 . 11 1 1 A 67 67 LYS CA C 67 56.993 57.480 -0.487 1 1 777 . 11 1 1 A 67 67 LYS HA H 67 4.270 4.447 -0.177 1 1 778 . 11 1 1 A 67 67 LYS CB C 67 32.724 34.294 -1.570 1 1 790 . 11 1 1 A 68 68 GLU N N 68 120.561 119.907 0.654 1 1 791 . 11 1 1 A 68 68 GLU H H 68 8.417 7.872 0.545 1 1 792 . 11 1 1 A 68 68 GLU CA C 68 57.144 57.494 -0.350 1 1 793 . 11 1 1 A 68 68 GLU HA H 68 4.193 4.299 -0.106 1 1 794 . 11 1 1 A 68 68 GLU CB C 68 30.025 30.299 -0.274 1 1 800 . 11 1 1 A 68 68 GLU C C 68 176.828 176.275 0.553 1 1 801 . 11 1 1 A 69 69 TYR N N 69 120.399 127.867 -7.468 1 1 802 . 11 1 1 A 69 69 TYR H H 69 8.027 8.906 -0.879 1 1 803 . 11 1 1 A 69 69 TYR CA C 69 58.296 58.279 0.017 1 1 804 . 11 1 1 A 69 69 TYR HA H 69 4.504 4.864 -0.360 1 1 805 . 11 1 1 A 69 69 TYR CB C 69 38.965 39.417 -0.452 1 1 816 . 11 1 1 A 69 69 TYR C C 69 176.367 176.053 0.314 1 1 817 . 11 1 1 A 70 70 SER N N 70 117.031 118.383 -1.352 1 1 818 . 11 1 1 A 70 70 SER H H 70 8.067 8.561 -0.494 1 1 819 . 11 1 1 A 70 70 SER CA C 70 58.167 57.640 0.527 1 1 820 . 11 1 1 A 70 70 SER HA H 70 4.441 4.821 -0.380 1 1 821 . 11 1 1 A 70 70 SER CB C 70 63.911 65.405 -1.494 1 1 824 . 11 1 1 A 70 70 SER C C 70 174.448 174.434 0.014 1 1 825 . 11 1 1 A 71 71 ILE N N 71 122.402 114.146 8.256 1 1 826 . 11 1 1 A 71 71 ILE H H 71 8.083 8.715 -0.632 1 1 827 . 11 1 1 A 71 71 ILE CA C 71 61.411 59.139 2.272 1 1 828 . 11 1 1 A 71 71 ILE HA H 71 4.161 5.077 -0.916 1 1 829 . 11 1 1 A 71 71 ILE CB C 71 38.779 40.855 -2.076 1 1 842 . 11 1 1 A 71 71 ILE C C 71 176.172 174.811 1.361 1 1 843 . 11 1 1 A 72 72 ALA N N 72 127.574 124.586 2.988 1 1 844 . 11 1 1 A 72 72 ALA H H 72 8.306 8.662 -0.356 1 1 845 . 11 1 1 A 72 72 ALA CA C 72 52.631 51.578 1.053 1 1 846 . 11 1 1 A 72 72 ALA HA H 72 4.366 4.931 -0.565 1 1 847 . 11 1 1 A 72 72 ALA CB C 72 19.242 23.346 -4.104 1 1 851 . 11 1 1 A 72 72 ALA C C 72 177.702 175.595 2.107 1 1 852 . 11 1 1 A 73 73 SER N N 73 115.199 114.311 0.888 1 1 853 . 11 1 1 A 73 73 SER H H 73 8.223 8.747 -0.524 1 1 854 . 11 1 1 A 73 73 SER CA C 73 58.285 56.956 1.329 1 1 855 . 11 1 1 A 73 73 SER HA H 73 4.471 5.047 -0.576 1 1 856 . 11 1 1 A 73 73 SER CB C 73 64.233 65.435 -1.202 1 1 859 . 11 1 1 A 73 73 SER C C 73 174.639 172.519 2.120 1 1 860 . 11 1 1 A 74 74 GLY N N 74 110.616 110.857 -0.241 1 1 861 . 11 1 1 A 74 74 GLY H H 74 8.185 8.357 -0.172 1 1 862 . 11 1 1 A 74 74 GLY CA C 74 44.677 45.549 -0.872 1 1 863 . 11 1 1 A 74 74 GLY HA2 H 74 4.171 4.290 -0.119 1 1 864 . 11 1 1 A 74 74 GLY HA3 H 74 4.107 4.290 -0.183 1 1 865 . 11 1 1 A 74 74 GLY C C 74 171.850 171.878 -0.028 1 1 866 . 11 1 1 A 75 75 PRO CA C 75 63.266 62.818 0.448 1 1 867 . 11 1 1 A 75 75 PRO HA H 75 4.487 4.614 -0.127 1 1 868 . 11 1 1 A 75 75 PRO CB C 75 32.196 31.728 0.468 1 1 877 . 11 1 1 A 76 76 SER N N 76 116.439 119.307 -2.868 1 1 878 . 11 1 1 A 76 76 SER H H 76 8.562 8.613 -0.051 1 1 879 . 11 1 1 A 76 76 SER CA C 76 58.747 57.638 1.109 1 1 880 . 11 1 1 A 76 76 SER CB C 76 64.105 66.925 -2.820 1 1 1 . 12 1 1 A 6 6 SER CA C 6 58.690 59.318 -0.628 1 1 2 . 12 1 1 A 6 6 SER HA H 6 4.411 4.041 0.370 1 1 3 . 12 1 1 A 7 7 GLY N N 7 110.826 107.879 2.947 1 1 4 . 12 1 1 A 7 7 GLY H H 7 8.436 8.117 0.319 1 1 5 . 12 1 1 A 7 7 GLY CA C 7 45.315 44.612 0.703 1 1 6 . 12 1 1 A 7 7 GLY HA2 H 7 4.029 4.066 -0.037 1 1 7 . 12 1 1 A 7 7 GLY HA3 H 7 3.918 4.076 -0.158 1 1 8 . 12 1 1 A 7 7 GLY C C 7 173.788 173.129 0.659 1 1 9 . 12 1 1 A 8 8 ARG N N 8 120.458 120.348 0.110 1 1 10 . 12 1 1 A 8 8 ARG H H 8 8.272 8.265 0.007 1 1 11 . 12 1 1 A 8 8 ARG CA C 8 55.715 54.188 1.527 1 1 12 . 12 1 1 A 8 8 ARG HA H 8 4.500 5.077 -0.577 1 1 13 . 12 1 1 A 8 8 ARG CB C 8 31.541 33.423 -1.882 1 1 22 . 12 1 1 A 8 8 ARG C C 8 175.201 175.436 -0.235 1 1 23 . 12 1 1 A 9 9 ARG N N 9 121.537 119.989 1.548 1 1 24 . 12 1 1 A 9 9 ARG H H 9 8.879 8.535 0.344 1 1 25 . 12 1 1 A 9 9 ARG CA C 9 54.737 54.350 0.387 1 1 26 . 12 1 1 A 9 9 ARG HA H 9 5.288 5.381 -0.093 1 1 27 . 12 1 1 A 9 9 ARG CB C 9 34.064 33.721 0.343 1 1 36 . 12 1 1 A 9 9 ARG C C 9 174.910 174.552 0.358 1 1 37 . 12 1 1 A 10 10 ALA N N 10 122.000 125.961 -3.961 1 1 38 . 12 1 1 A 10 10 ALA H H 10 9.200 9.077 0.123 1 1 39 . 12 1 1 A 10 10 ALA CA C 10 50.229 49.999 0.230 1 1 40 . 12 1 1 A 10 10 ALA HA H 10 5.143 5.459 -0.316 1 1 41 . 12 1 1 A 10 10 ALA CB C 10 23.552 22.815 0.737 1 1 45 . 12 1 1 A 10 10 ALA C C 10 173.920 174.856 -0.936 1 1 46 . 12 1 1 A 11 11 LYS N N 11 121.984 120.980 1.004 1 1 47 . 12 1 1 A 11 11 LYS H H 11 8.962 8.981 -0.019 1 1 48 . 12 1 1 A 11 11 LYS CA C 11 53.936 54.419 -0.483 1 1 49 . 12 1 1 A 11 11 LYS HA H 11 5.043 5.001 0.042 1 1 50 . 12 1 1 A 11 11 LYS CB C 11 35.705 35.701 0.004 1 1 62 . 12 1 1 A 11 11 LYS C C 11 176.193 175.825 0.368 1 1 63 . 12 1 1 A 12 12 ALA N N 12 128.384 128.826 -0.442 1 1 64 . 12 1 1 A 12 12 ALA H H 12 8.974 8.978 -0.004 1 1 65 . 12 1 1 A 12 12 ALA CA C 12 52.878 52.395 0.483 1 1 66 . 12 1 1 A 12 12 ALA HA H 12 4.271 4.322 -0.051 1 1 67 . 12 1 1 A 12 12 ALA CB C 12 21.024 18.845 2.179 1 1 71 . 12 1 1 A 12 12 ALA C C 12 179.524 177.947 1.577 1 1 72 . 12 1 1 A 13 13 LEU N N 13 126.125 125.820 0.305 1 1 73 . 12 1 1 A 13 13 LEU H H 13 9.490 8.409 1.081 1 1 74 . 12 1 1 A 13 13 LEU CA C 13 55.697 56.136 -0.439 1 1 75 . 12 1 1 A 13 13 LEU HA H 13 4.258 4.220 0.038 1 1 76 . 12 1 1 A 13 13 LEU CB C 13 43.073 43.087 -0.014 1 1 89 . 12 1 1 A 13 13 LEU C C 13 175.705 176.726 -1.021 1 1 90 . 12 1 1 A 14 14 LEU N N 14 116.229 114.045 2.184 1 1 91 . 12 1 1 A 14 14 LEU H H 14 7.638 7.646 -0.008 1 1 92 . 12 1 1 A 14 14 LEU CA C 14 53.715 53.540 0.175 1 1 93 . 12 1 1 A 14 14 LEU HA H 14 4.436 4.751 -0.315 1 1 94 . 12 1 1 A 14 14 LEU CB C 14 45.286 43.851 1.435 1 1 107 . 12 1 1 A 14 14 LEU C C 14 173.987 174.603 -0.616 1 1 108 . 12 1 1 A 15 15 ASP N N 15 116.528 120.807 -4.279 1 1 109 . 12 1 1 A 15 15 ASP H H 15 8.047 8.693 -0.646 1 1 110 . 12 1 1 A 15 15 ASP CA C 15 54.712 53.486 1.226 1 1 111 . 12 1 1 A 15 15 ASP HA H 15 4.628 5.130 -0.502 1 1 112 . 12 1 1 A 15 15 ASP CB C 15 41.437 42.283 -0.846 1 1 115 . 12 1 1 A 16 16 PHE N N 16 123.405 126.263 -2.858 1 1 116 . 12 1 1 A 16 16 PHE H H 16 8.414 8.861 -0.447 1 1 117 . 12 1 1 A 16 16 PHE CA C 16 56.555 55.878 0.677 1 1 118 . 12 1 1 A 16 16 PHE HA H 16 4.576 4.937 -0.361 1 1 119 . 12 1 1 A 16 16 PHE CB C 16 41.647 41.562 0.085 1 1 132 . 12 1 1 A 17 17 GLU N N 17 127.173 125.322 1.851 1 1 133 . 12 1 1 A 17 17 GLU H H 17 7.775 8.303 -0.528 1 1 134 . 12 1 1 A 17 17 GLU CA C 17 54.469 54.971 -0.502 1 1 135 . 12 1 1 A 17 17 GLU HA H 17 4.025 4.382 -0.357 1 1 136 . 12 1 1 A 17 17 GLU CB C 17 30.119 29.447 0.672 1 1 142 . 12 1 1 A 17 17 GLU C C 17 174.327 174.952 -0.625 1 1 143 . 12 1 1 A 18 18 ARG N N 18 123.112 121.827 1.285 1 1 144 . 12 1 1 A 18 18 ARG H H 18 7.721 7.877 -0.156 1 1 145 . 12 1 1 A 18 18 ARG CA C 18 55.738 55.999 -0.261 1 1 146 . 12 1 1 A 18 18 ARG HA H 18 3.665 3.461 0.204 1 1 147 . 12 1 1 A 18 18 ARG CB C 18 30.846 30.449 0.397 1 1 156 . 12 1 1 A 18 18 ARG C C 18 175.954 176.213 -0.259 1 1 157 . 12 1 1 A 19 19 HIS N N 19 121.992 121.327 0.665 1 1 158 . 12 1 1 A 19 19 HIS H H 19 9.200 8.293 0.907 1 1 159 . 12 1 1 A 19 19 HIS CA C 19 56.774 58.346 -1.572 1 1 160 . 12 1 1 A 19 19 HIS HA H 19 4.612 4.540 0.072 1 1 161 . 12 1 1 A 19 19 HIS CB C 19 30.061 30.570 -0.509 1 1 168 . 12 1 1 A 19 19 HIS C C 19 174.151 175.045 -0.894 1 1 169 . 12 1 1 A 20 20 ASP N N 20 119.946 118.153 1.793 1 1 170 . 12 1 1 A 20 20 ASP H H 20 8.160 7.914 0.246 1 1 171 . 12 1 1 A 20 20 ASP CA C 20 53.371 53.057 0.314 1 1 172 . 12 1 1 A 20 20 ASP HA H 20 4.785 4.748 0.037 1 1 173 . 12 1 1 A 20 20 ASP CB C 20 43.492 43.167 0.325 1 1 176 . 12 1 1 A 20 20 ASP C C 20 176.571 176.168 0.403 1 1 177 . 12 1 1 A 21 21 ASP N N 21 119.329 125.729 -6.400 1 1 178 . 12 1 1 A 21 21 ASP H H 21 8.686 9.015 -0.329 1 1 179 . 12 1 1 A 21 21 ASP CA C 21 56.641 57.761 -1.120 1 1 180 . 12 1 1 A 21 21 ASP HA H 21 4.439 4.262 0.177 1 1 181 . 12 1 1 A 21 21 ASP CB C 21 40.977 40.607 0.370 1 1 184 . 12 1 1 A 21 21 ASP C C 21 176.619 177.694 -1.075 1 1 185 . 12 1 1 A 22 22 ASP N N 22 116.501 116.031 0.470 1 1 186 . 12 1 1 A 22 22 ASP H H 22 8.702 8.263 0.439 1 1 187 . 12 1 1 A 22 22 ASP CA C 22 54.535 56.970 -2.435 1 1 188 . 12 1 1 A 22 22 ASP HA H 22 4.769 4.605 0.164 1 1 189 . 12 1 1 A 22 22 ASP CB C 22 40.833 40.231 0.602 1 1 192 . 12 1 1 A 22 22 ASP C C 22 176.139 176.871 -0.732 1 1 193 . 12 1 1 A 23 23 GLU N N 23 119.696 120.476 -0.780 1 1 194 . 12 1 1 A 23 23 GLU H H 23 7.540 8.087 -0.547 1 1 195 . 12 1 1 A 23 23 GLU CA C 23 55.398 57.373 -1.975 1 1 196 . 12 1 1 A 23 23 GLU HA H 23 4.519 4.027 0.492 1 1 197 . 12 1 1 A 23 23 GLU CB C 23 32.584 29.953 2.631 1 1 203 . 12 1 1 A 23 23 GLU C C 23 175.760 175.870 -0.110 1 1 204 . 12 1 1 A 24 24 LEU N N 24 125.257 126.033 -0.776 1 1 205 . 12 1 1 A 24 24 LEU H H 24 8.766 8.879 -0.113 1 1 206 . 12 1 1 A 24 24 LEU CA C 24 53.525 54.048 -0.523 1 1 207 . 12 1 1 A 24 24 LEU HA H 24 4.410 5.024 -0.614 1 1 208 . 12 1 1 A 24 24 LEU CB C 24 44.685 44.142 0.543 1 1 221 . 12 1 1 A 24 24 LEU C C 24 173.987 176.281 -2.294 1 1 222 . 12 1 1 A 25 25 GLY N N 25 107.345 113.698 -6.353 1 1 223 . 12 1 1 A 25 25 GLY H H 25 7.584 9.007 -1.423 1 1 224 . 12 1 1 A 25 25 GLY CA C 25 44.096 44.158 -0.062 1 1 225 . 12 1 1 A 25 25 GLY HA2 H 25 3.361 3.814 -0.453 1 1 226 . 12 1 1 A 25 25 GLY HA3 H 25 4.260 3.934 0.326 1 1 227 . 12 1 1 A 25 25 GLY C C 25 173.720 172.846 0.874 1 1 228 . 12 1 1 A 26 26 PHE N N 26 114.043 115.732 -1.689 1 1 229 . 12 1 1 A 26 26 PHE H H 26 8.330 8.376 -0.046 1 1 230 . 12 1 1 A 26 26 PHE CA C 26 56.440 56.451 -0.011 1 1 231 . 12 1 1 A 26 26 PHE HA H 26 4.749 5.091 -0.342 1 1 232 . 12 1 1 A 26 26 PHE CB C 26 40.494 40.642 -0.148 1 1 245 . 12 1 1 A 26 26 PHE C C 26 174.820 172.477 2.343 1 1 246 . 12 1 1 A 27 27 ARG N N 27 120.928 119.147 1.781 1 1 247 . 12 1 1 A 27 27 ARG H H 27 9.597 8.599 0.998 1 1 248 . 12 1 1 A 27 27 ARG CA C 27 53.054 54.055 -1.001 1 1 249 . 12 1 1 A 27 27 ARG HA H 27 4.974 5.057 -0.083 1 1 250 . 12 1 1 A 27 27 ARG CB C 27 32.687 33.392 -0.705 1 1 259 . 12 1 1 A 27 27 ARG C C 27 175.511 175.560 -0.049 1 1 260 . 12 1 1 A 28 28 LYS N N 28 120.682 122.662 -1.980 1 1 261 . 12 1 1 A 28 28 LYS H H 28 8.922 8.612 0.310 1 1 262 . 12 1 1 A 28 28 LYS CA C 28 59.064 58.084 0.980 1 1 263 . 12 1 1 A 28 28 LYS HA H 28 3.220 3.993 -0.773 1 1 264 . 12 1 1 A 28 28 LYS CB C 28 32.826 32.300 0.526 1 1 276 . 12 1 1 A 28 28 LYS C C 28 177.019 177.299 -0.280 1 1 277 . 12 1 1 A 29 29 ASN N N 29 117.470 118.880 -1.410 1 1 278 . 12 1 1 A 29 29 ASN H H 29 8.728 9.446 -0.718 1 1 279 . 12 1 1 A 29 29 ASN CA C 29 56.477 54.235 2.242 1 1 280 . 12 1 1 A 29 29 ASN HA H 29 4.148 4.276 -0.128 1 1 281 . 12 1 1 A 29 29 ASN CB C 29 37.170 37.214 -0.044 1 1 287 . 12 1 1 A 29 29 ASN C C 29 174.716 173.664 1.052 1 1 288 . 12 1 1 A 30 30 ASP N N 30 122.549 116.723 5.826 1 1 289 . 12 1 1 A 30 30 ASP H H 30 8.527 7.646 0.881 1 1 290 . 12 1 1 A 30 30 ASP CA C 30 56.167 52.819 3.348 1 1 291 . 12 1 1 A 30 30 ASP HA H 30 4.596 5.117 -0.521 1 1 292 . 12 1 1 A 30 30 ASP CB C 30 41.797 43.602 -1.805 1 1 295 . 12 1 1 A 30 30 ASP C C 30 175.177 175.099 0.078 1 1 296 . 12 1 1 A 31 31 ILE N N 31 119.187 123.387 -4.200 1 1 297 . 12 1 1 A 31 31 ILE H H 31 8.267 8.666 -0.399 1 1 298 . 12 1 1 A 31 31 ILE CA C 31 59.191 60.629 -1.438 1 1 299 . 12 1 1 A 31 31 ILE HA H 31 4.819 4.766 0.053 1 1 300 . 12 1 1 A 31 31 ILE CB C 31 36.702 38.449 -1.747 1 1 313 . 12 1 1 A 31 31 ILE C C 31 175.437 175.233 0.204 1 1 314 . 12 1 1 A 32 32 ILE N N 32 129.566 127.745 1.821 1 1 315 . 12 1 1 A 32 32 ILE H H 32 9.247 9.132 0.115 1 1 316 . 12 1 1 A 32 32 ILE CA C 32 60.211 59.730 0.481 1 1 317 . 12 1 1 A 32 32 ILE HA H 32 4.140 4.815 -0.675 1 1 318 . 12 1 1 A 32 32 ILE CB C 32 41.978 41.504 0.474 1 1 331 . 12 1 1 A 32 32 ILE C C 32 176.197 174.933 1.264 1 1 332 . 12 1 1 A 33 33 THR N N 33 123.061 122.996 0.065 1 1 333 . 12 1 1 A 33 33 THR H H 33 8.741 8.452 0.289 1 1 334 . 12 1 1 A 33 33 THR CA C 33 63.117 62.864 0.253 1 1 335 . 12 1 1 A 33 33 THR HA H 33 4.583 4.605 -0.022 1 1 336 . 12 1 1 A 33 33 THR CB C 33 69.626 69.402 0.224 1 1 342 . 12 1 1 A 33 33 THR C C 33 174.011 174.206 -0.195 1 1 343 . 12 1 1 A 34 34 ILE N N 34 128.281 127.465 0.816 1 1 344 . 12 1 1 A 34 34 ILE H H 34 9.110 9.162 -0.052 1 1 345 . 12 1 1 A 34 34 ILE CA C 34 61.566 60.928 0.638 1 1 346 . 12 1 1 A 34 34 ILE HA H 34 4.117 4.296 -0.179 1 1 347 . 12 1 1 A 34 34 ILE CB C 34 36.785 37.246 -0.461 1 1 360 . 12 1 1 A 34 34 ILE C C 34 175.420 175.456 -0.036 1 1 361 . 12 1 1 A 35 35 ILE N N 35 128.859 129.766 -0.907 1 1 362 . 12 1 1 A 35 35 ILE H H 35 9.359 9.428 -0.069 1 1 363 . 12 1 1 A 35 35 ILE CA C 35 60.949 62.933 -1.984 1 1 364 . 12 1 1 A 35 35 ILE HA H 35 4.224 4.102 0.122 1 1 365 . 12 1 1 A 35 35 ILE CB C 35 38.186 38.205 -0.019 1 1 378 . 12 1 1 A 35 35 ILE C C 35 176.253 176.184 0.069 1 1 379 . 12 1 1 A 36 36 SER N N 36 111.665 113.381 -1.716 1 1 380 . 12 1 1 A 36 36 SER H H 36 7.882 7.879 0.003 1 1 381 . 12 1 1 A 36 36 SER CA C 36 57.605 56.931 0.674 1 1 382 . 12 1 1 A 36 36 SER HA H 36 4.525 4.690 -0.165 1 1 383 . 12 1 1 A 36 36 SER CB C 36 64.435 65.126 -0.691 1 1 386 . 12 1 1 A 36 36 SER C C 36 172.845 172.176 0.669 1 1 387 . 12 1 1 A 37 37 GLN N N 37 116.906 126.056 -9.150 1 1 388 . 12 1 1 A 37 37 GLN H H 37 8.055 8.739 -0.684 1 1 389 . 12 1 1 A 37 37 GLN CA C 37 54.718 53.936 0.782 1 1 390 . 12 1 1 A 37 37 GLN HA H 37 4.420 4.599 -0.179 1 1 391 . 12 1 1 A 37 37 GLN CB C 37 29.381 27.874 1.507 1 1 400 . 12 1 1 A 37 37 GLN C C 37 175.080 175.859 -0.779 1 1 401 . 12 1 1 A 38 38 LYS N N 38 124.909 125.887 -0.978 1 1 402 . 12 1 1 A 38 38 LYS H H 38 8.046 8.586 -0.540 1 1 403 . 12 1 1 A 38 38 LYS CA C 38 58.998 59.806 -0.808 1 1 404 . 12 1 1 A 38 38 LYS HA H 38 4.076 3.995 0.081 1 1 405 . 12 1 1 A 38 38 LYS CB C 38 33.116 32.569 0.547 1 1 417 . 12 1 1 A 38 38 LYS C C 38 176.508 175.997 0.511 1 1 418 . 12 1 1 A 39 39 ASP N N 39 117.133 118.294 -1.161 1 1 419 . 12 1 1 A 39 39 ASP H H 39 8.296 8.216 0.080 1 1 420 . 12 1 1 A 39 39 ASP CA C 39 53.294 52.035 1.259 1 1 421 . 12 1 1 A 39 39 ASP HA H 39 4.558 5.033 -0.475 1 1 422 . 12 1 1 A 39 39 ASP CB C 39 41.847 43.727 -1.880 1 1 425 . 12 1 1 A 39 39 ASP C C 39 175.201 176.533 -1.332 1 1 426 . 12 1 1 A 40 40 GLU N N 40 116.223 125.227 -9.004 1 1 427 . 12 1 1 A 40 40 GLU H H 40 8.564 9.084 -0.520 1 1 428 . 12 1 1 A 40 40 GLU CA C 40 58.748 59.721 -0.973 1 1 429 . 12 1 1 A 40 40 GLU HA H 40 4.088 4.413 -0.325 1 1 430 . 12 1 1 A 40 40 GLU CB C 40 29.696 29.490 0.206 1 1 436 . 12 1 1 A 40 40 GLU C C 40 176.367 177.973 -1.606 1 1 437 . 12 1 1 A 41 41 HIS N N 41 114.612 114.948 -0.336 1 1 438 . 12 1 1 A 41 41 HIS H H 41 8.383 7.675 0.708 1 1 439 . 12 1 1 A 41 41 HIS CA C 41 56.873 57.148 -0.275 1 1 440 . 12 1 1 A 41 41 HIS HA H 41 4.613 4.226 0.387 1 1 441 . 12 1 1 A 41 41 HIS CB C 41 32.910 31.393 1.517 1 1 448 . 12 1 1 A 41 41 HIS C C 41 176.755 175.053 1.702 1 1 449 . 12 1 1 A 42 42 CYS N N 42 122.290 117.736 4.554 1 1 450 . 12 1 1 A 42 42 CYS H H 42 8.337 7.736 0.601 1 1 451 . 12 1 1 A 42 42 CYS CA C 42 58.168 57.832 0.336 1 1 452 . 12 1 1 A 42 42 CYS HA H 42 4.885 4.476 0.409 1 1 453 . 12 1 1 A 42 42 CYS CB C 42 29.227 27.957 1.270 1 1 456 . 12 1 1 A 42 42 CYS C C 42 172.892 174.455 -1.563 1 1 457 . 12 1 1 A 43 43 TRP N N 43 127.114 125.170 1.944 1 1 458 . 12 1 1 A 43 43 TRP H H 43 8.333 8.606 -0.273 1 1 459 . 12 1 1 A 43 43 TRP CA C 43 53.262 55.611 -2.349 1 1 460 . 12 1 1 A 43 43 TRP HA H 43 5.307 5.203 0.104 1 1 461 . 12 1 1 A 43 43 TRP CB C 43 33.323 33.312 0.011 1 1 476 . 12 1 1 A 43 43 TRP C C 43 173.064 175.270 -2.206 1 1 477 . 12 1 1 A 44 44 VAL N N 44 117.650 121.006 -3.356 1 1 478 . 12 1 1 A 44 44 VAL H H 44 8.591 8.906 -0.315 1 1 479 . 12 1 1 A 44 44 VAL CA C 44 61.801 61.012 0.789 1 1 480 . 12 1 1 A 44 44 VAL HA H 44 4.739 4.907 -0.168 1 1 481 . 12 1 1 A 44 44 VAL CB C 44 32.962 33.737 -0.775 1 1 491 . 12 1 1 A 44 44 VAL C C 44 176.980 175.345 1.635 1 1 492 . 12 1 1 A 45 45 GLY N N 45 115.010 115.256 -0.246 1 1 493 . 12 1 1 A 45 45 GLY H H 45 9.469 8.792 0.677 1 1 494 . 12 1 1 A 45 45 GLY CA C 45 45.159 44.559 0.600 1 1 495 . 12 1 1 A 45 45 GLY HA2 H 45 3.769 4.309 -0.540 1 1 496 . 12 1 1 A 45 45 GLY HA3 H 45 5.478 4.496 0.982 1 1 497 . 12 1 1 A 45 45 GLY C C 45 170.022 172.641 -2.619 1 1 498 . 12 1 1 A 46 46 GLU N N 46 118.202 120.795 -2.593 1 1 499 . 12 1 1 A 46 46 GLU H H 46 9.072 8.966 0.106 1 1 500 . 12 1 1 A 46 46 GLU CA C 46 54.226 55.645 -1.419 1 1 501 . 12 1 1 A 46 46 GLU HA H 46 5.720 5.460 0.260 1 1 502 . 12 1 1 A 46 46 GLU CB C 46 34.724 32.835 1.889 1 1 508 . 12 1 1 A 46 46 GLU C C 46 174.843 174.520 0.323 1 1 509 . 12 1 1 A 47 47 LEU N N 47 125.182 126.751 -1.569 1 1 510 . 12 1 1 A 47 47 LEU H H 47 8.880 8.769 0.111 1 1 511 . 12 1 1 A 47 47 LEU CA C 47 55.064 53.900 1.164 1 1 512 . 12 1 1 A 47 47 LEU HA H 47 4.711 4.601 0.110 1 1 513 . 12 1 1 A 47 47 LEU CB C 47 45.900 45.141 0.759 1 1 526 . 12 1 1 A 47 47 LEU C C 47 176.130 175.159 0.971 1 1 527 . 12 1 1 A 48 48 ASN N N 48 127.515 123.888 3.627 1 1 528 . 12 1 1 A 48 48 ASN H H 48 9.796 9.306 0.490 1 1 529 . 12 1 1 A 48 48 ASN CA C 48 54.407 54.486 -0.079 1 1 530 . 12 1 1 A 48 48 ASN HA H 48 4.457 4.464 -0.007 1 1 531 . 12 1 1 A 48 48 ASN CB C 48 37.546 37.236 0.310 1 1 537 . 12 1 1 A 48 48 ASN C C 48 174.935 175.554 -0.619 1 1 538 . 12 1 1 A 49 49 GLY N N 49 104.068 104.503 -0.435 1 1 539 . 12 1 1 A 49 49 GLY H H 49 8.891 8.720 0.171 1 1 540 . 12 1 1 A 49 49 GLY CA C 49 45.471 46.056 -0.585 1 1 541 . 12 1 1 A 49 49 GLY HA2 H 49 3.621 3.925 -0.304 1 1 542 . 12 1 1 A 49 49 GLY HA3 H 49 4.230 3.928 0.302 1 1 543 . 12 1 1 A 49 49 GLY C C 49 173.671 173.833 -0.162 1 1 544 . 12 1 1 A 50 50 LEU N N 50 122.996 120.902 2.094 1 1 545 . 12 1 1 A 50 50 LEU H H 50 7.818 8.218 -0.400 1 1 546 . 12 1 1 A 50 50 LEU CA C 50 53.971 53.116 0.855 1 1 547 . 12 1 1 A 50 50 LEU HA H 50 4.727 4.973 -0.246 1 1 548 . 12 1 1 A 50 50 LEU CB C 50 43.482 44.925 -1.443 1 1 561 . 12 1 1 A 50 50 LEU C C 50 174.930 175.791 -0.861 1 1 562 . 12 1 1 A 51 51 ARG N N 51 119.072 122.898 -3.826 1 1 563 . 12 1 1 A 51 51 ARG H H 51 8.410 8.834 -0.424 1 1 564 . 12 1 1 A 51 51 ARG CA C 51 54.020 54.994 -0.974 1 1 565 . 12 1 1 A 51 51 ARG HA H 51 5.843 5.263 0.580 1 1 566 . 12 1 1 A 51 51 ARG CB C 51 34.724 33.361 1.363 1 1 575 . 12 1 1 A 51 51 ARG C C 51 176.707 175.465 1.242 1 1 576 . 12 1 1 A 52 52 GLY N N 52 109.058 112.297 -3.239 1 1 577 . 12 1 1 A 52 52 GLY H H 52 8.661 8.759 -0.098 1 1 578 . 12 1 1 A 52 52 GLY CA C 52 45.683 45.727 -0.044 1 1 579 . 12 1 1 A 52 52 GLY HA2 H 52 3.975 4.440 -0.465 1 1 580 . 12 1 1 A 52 52 GLY HA3 H 52 4.248 4.450 -0.202 1 1 581 . 12 1 1 A 52 52 GLY C C 52 171.261 172.766 -1.505 1 1 582 . 12 1 1 A 53 53 TRP N N 53 119.558 117.535 2.023 1 1 583 . 12 1 1 A 53 53 TRP H H 53 8.825 8.495 0.330 1 1 584 . 12 1 1 A 53 53 TRP CA C 53 55.402 55.677 -0.275 1 1 585 . 12 1 1 A 53 53 TRP HA H 53 6.222 5.665 0.557 1 1 586 . 12 1 1 A 53 53 TRP CB C 53 31.856 32.231 -0.375 1 1 601 . 12 1 1 A 53 53 TRP C C 53 176.100 175.478 0.622 1 1 602 . 12 1 1 A 54 54 PHE N N 54 115.426 115.847 -0.421 1 1 603 . 12 1 1 A 54 54 PHE H H 54 8.976 8.570 0.406 1 1 604 . 12 1 1 A 54 54 PHE CA C 54 55.805 55.614 0.191 1 1 605 . 12 1 1 A 54 54 PHE HA H 54 4.833 4.514 0.319 1 1 606 . 12 1 1 A 54 54 PHE CB C 54 39.295 39.467 -0.172 1 1 619 . 12 1 1 A 54 54 PHE C C 54 171.898 171.942 -0.044 1 1 620 . 12 1 1 A 55 55 PRO CA C 55 61.963 62.661 -0.698 1 1 621 . 12 1 1 A 55 55 PRO HA H 55 4.654 4.625 0.029 1 1 622 . 12 1 1 A 55 55 PRO CB C 55 31.179 31.425 -0.246 1 1 631 . 12 1 1 A 55 55 PRO C C 55 177.168 177.653 -0.485 1 1 632 . 12 1 1 A 56 56 ALA N N 56 130.132 127.932 2.200 1 1 633 . 12 1 1 A 56 56 ALA H H 56 7.818 8.551 -0.733 1 1 634 . 12 1 1 A 56 56 ALA CA C 56 55.045 55.023 0.022 1 1 635 . 12 1 1 A 56 56 ALA HA H 56 3.032 4.066 -1.034 1 1 636 . 12 1 1 A 56 56 ALA CB C 56 16.542 17.061 -0.519 1 1 640 . 12 1 1 A 56 56 ALA C C 56 178.595 179.568 -0.973 1 1 641 . 12 1 1 A 57 57 LYS N N 57 110.974 115.827 -4.853 1 1 642 . 12 1 1 A 57 57 LYS H H 57 8.024 7.993 0.031 1 1 643 . 12 1 1 A 57 57 LYS CA C 57 57.118 58.484 -1.366 1 1 644 . 12 1 1 A 57 57 LYS HA H 57 4.213 3.956 0.257 1 1 645 . 12 1 1 A 57 57 LYS CB C 57 31.641 31.669 -0.028 1 1 657 . 12 1 1 A 57 57 LYS C C 57 177.053 178.216 -1.163 1 1 658 . 12 1 1 A 58 58 PHE N N 58 118.768 117.857 0.911 1 1 659 . 12 1 1 A 58 58 PHE H H 58 7.911 8.220 -0.309 1 1 660 . 12 1 1 A 58 58 PHE CA C 58 56.933 61.263 -4.330 1 1 661 . 12 1 1 A 58 58 PHE HA H 58 4.739 4.218 0.521 1 1 662 . 12 1 1 A 58 58 PHE CB C 58 38.643 39.567 -0.924 1 1 675 . 12 1 1 A 58 58 PHE C C 58 174.837 175.885 -1.048 1 1 676 . 12 1 1 A 59 59 VAL N N 59 109.843 113.818 -3.975 1 1 677 . 12 1 1 A 59 59 VAL H H 59 7.796 7.518 0.278 1 1 678 . 12 1 1 A 59 59 VAL CA C 59 58.332 59.556 -1.224 1 1 679 . 12 1 1 A 59 59 VAL HA H 59 5.333 4.709 0.624 1 1 680 . 12 1 1 A 59 59 VAL CB C 59 35.704 34.543 1.161 1 1 690 . 12 1 1 A 59 59 VAL C C 59 173.452 174.102 -0.650 1 1 691 . 12 1 1 A 60 60 GLU N N 60 119.932 120.831 -0.899 1 1 692 . 12 1 1 A 60 60 GLU H H 60 8.699 8.920 -0.221 1 1 693 . 12 1 1 A 60 60 GLU CA C 60 54.202 54.574 -0.372 1 1 694 . 12 1 1 A 60 60 GLU HA H 60 4.863 5.141 -0.278 1 1 695 . 12 1 1 A 60 60 GLU CB C 60 33.573 33.406 0.167 1 1 701 . 12 1 1 A 60 60 GLU C C 60 176.100 175.757 0.343 1 1 702 . 12 1 1 A 61 61 VAL N N 61 127.661 126.599 1.062 1 1 703 . 12 1 1 A 61 61 VAL H H 61 9.107 8.668 0.439 1 1 704 . 12 1 1 A 61 61 VAL CA C 61 64.612 62.545 2.067 1 1 705 . 12 1 1 A 61 61 VAL HA H 61 3.957 4.352 -0.395 1 1 706 . 12 1 1 A 61 61 VAL CB C 61 31.875 32.326 -0.451 1 1 716 . 12 1 1 A 61 61 VAL C C 61 176.294 175.231 1.063 1 1 717 . 12 1 1 A 62 62 LEU N N 62 128.512 124.978 3.534 1 1 718 . 12 1 1 A 62 62 LEU H H 62 8.777 8.596 0.181 1 1 719 . 12 1 1 A 62 62 LEU CA C 62 54.677 53.671 1.006 1 1 720 . 12 1 1 A 62 62 LEU HA H 62 4.456 4.963 -0.507 1 1 721 . 12 1 1 A 62 62 LEU CB C 62 42.548 45.863 -3.315 1 1 734 . 12 1 1 A 62 62 LEU C C 62 176.888 174.890 1.998 1 1 735 . 12 1 1 A 63 63 ASP N N 63 122.605 124.474 -1.869 1 1 736 . 12 1 1 A 63 63 ASP H H 63 8.588 8.973 -0.385 1 1 737 . 12 1 1 A 63 63 ASP CA C 63 53.971 54.182 -0.211 1 1 738 . 12 1 1 A 63 63 ASP HA H 63 4.643 4.815 -0.172 1 1 739 . 12 1 1 A 63 63 ASP CB C 63 41.629 41.248 0.381 1 1 742 . 12 1 1 A 63 63 ASP C C 63 176.460 175.735 0.725 1 1 743 . 12 1 1 A 64 64 GLU N N 64 122.614 124.507 -1.893 1 1 744 . 12 1 1 A 64 64 GLU H H 64 8.634 8.850 -0.216 1 1 745 . 12 1 1 A 64 64 GLU CA C 64 57.086 57.181 -0.095 1 1 746 . 12 1 1 A 64 64 GLU HA H 64 4.158 4.587 -0.429 1 1 747 . 12 1 1 A 64 64 GLU CB C 64 30.055 31.266 -1.211 1 1 753 . 12 1 1 A 64 64 GLU C C 64 176.801 178.582 -1.781 1 1 754 . 12 1 1 A 65 65 ARG N N 65 120.526 119.528 0.998 1 1 755 . 12 1 1 A 65 65 ARG H H 65 8.416 8.087 0.329 1 1 756 . 12 1 1 A 65 65 ARG CA C 65 56.430 57.860 -1.430 1 1 757 . 12 1 1 A 65 65 ARG HA H 65 4.323 4.186 0.137 1 1 758 . 12 1 1 A 65 65 ARG CB C 65 30.493 28.971 1.522 1 1 767 . 12 1 1 A 65 65 ARG C C 65 176.896 176.366 0.530 1 1 768 . 12 1 1 A 66 66 SER N N 66 116.214 117.078 -0.864 1 1 769 . 12 1 1 A 66 66 SER H H 66 8.225 7.600 0.625 1 1 770 . 12 1 1 A 66 66 SER CA C 66 58.732 58.470 0.262 1 1 771 . 12 1 1 A 66 66 SER HA H 66 4.799 4.452 0.347 1 1 772 . 12 1 1 A 66 66 SER CB C 66 63.879 64.005 -0.126 1 1 775 . 12 1 1 A 66 66 SER C C 66 175.225 173.894 1.331 1 1 776 . 12 1 1 A 67 67 LYS CA C 67 56.993 54.426 2.567 1 1 777 . 12 1 1 A 67 67 LYS HA H 67 4.270 5.000 -0.730 1 1 778 . 12 1 1 A 67 67 LYS CB C 67 32.724 35.452 -2.728 1 1 790 . 12 1 1 A 68 68 GLU N N 68 120.561 120.701 -0.140 1 1 791 . 12 1 1 A 68 68 GLU H H 68 8.417 8.756 -0.339 1 1 792 . 12 1 1 A 68 68 GLU CA C 68 57.144 54.786 2.358 1 1 793 . 12 1 1 A 68 68 GLU HA H 68 4.193 5.098 -0.905 1 1 794 . 12 1 1 A 68 68 GLU CB C 68 30.025 33.071 -3.046 1 1 800 . 12 1 1 A 68 68 GLU C C 68 176.828 175.490 1.338 1 1 801 . 12 1 1 A 69 69 TYR N N 69 120.399 127.319 -6.920 1 1 802 . 12 1 1 A 69 69 TYR H H 69 8.027 9.288 -1.261 1 1 803 . 12 1 1 A 69 69 TYR CA C 69 58.296 58.277 0.019 1 1 804 . 12 1 1 A 69 69 TYR HA H 69 4.504 4.741 -0.237 1 1 805 . 12 1 1 A 69 69 TYR CB C 69 38.965 38.949 0.016 1 1 816 . 12 1 1 A 69 69 TYR C C 69 176.367 175.746 0.621 1 1 817 . 12 1 1 A 70 70 SER N N 70 117.031 119.275 -2.244 1 1 818 . 12 1 1 A 70 70 SER H H 70 8.067 8.468 -0.401 1 1 819 . 12 1 1 A 70 70 SER CA C 70 58.167 60.188 -2.021 1 1 820 . 12 1 1 A 70 70 SER HA H 70 4.441 4.495 -0.054 1 1 821 . 12 1 1 A 70 70 SER CB C 70 63.911 63.264 0.647 1 1 824 . 12 1 1 A 70 70 SER C C 70 174.448 174.266 0.182 1 1 825 . 12 1 1 A 71 71 ILE N N 71 122.402 126.061 -3.659 1 1 826 . 12 1 1 A 71 71 ILE H H 71 8.083 8.557 -0.474 1 1 827 . 12 1 1 A 71 71 ILE CA C 71 61.411 60.293 1.118 1 1 828 . 12 1 1 A 71 71 ILE HA H 71 4.161 4.579 -0.418 1 1 829 . 12 1 1 A 71 71 ILE CB C 71 38.779 41.975 -3.196 1 1 842 . 12 1 1 A 71 71 ILE C C 71 176.172 175.419 0.753 1 1 843 . 12 1 1 A 72 72 ALA N N 72 127.574 131.104 -3.530 1 1 844 . 12 1 1 A 72 72 ALA H H 72 8.306 8.738 -0.432 1 1 845 . 12 1 1 A 72 72 ALA CA C 72 52.631 52.180 0.451 1 1 846 . 12 1 1 A 72 72 ALA HA H 72 4.366 4.360 0.006 1 1 847 . 12 1 1 A 72 72 ALA CB C 72 19.242 18.694 0.548 1 1 851 . 12 1 1 A 72 72 ALA C C 72 177.702 176.509 1.193 1 1 852 . 12 1 1 A 73 73 SER N N 73 115.199 119.901 -4.702 1 1 853 . 12 1 1 A 73 73 SER H H 73 8.223 8.497 -0.274 1 1 854 . 12 1 1 A 73 73 SER CA C 73 58.285 56.892 1.393 1 1 855 . 12 1 1 A 73 73 SER HA H 73 4.471 4.806 -0.335 1 1 856 . 12 1 1 A 73 73 SER CB C 73 64.233 64.313 -0.080 1 1 859 . 12 1 1 A 73 73 SER C C 73 174.639 175.333 -0.694 1 1 860 . 12 1 1 A 74 74 GLY N N 74 110.616 114.505 -3.889 1 1 861 . 12 1 1 A 74 74 GLY H H 74 8.185 8.668 -0.483 1 1 862 . 12 1 1 A 74 74 GLY CA C 74 44.677 47.317 -2.640 1 1 863 . 12 1 1 A 74 74 GLY HA2 H 74 4.171 3.886 0.285 1 1 864 . 12 1 1 A 74 74 GLY HA3 H 74 4.107 3.887 0.220 1 1 865 . 12 1 1 A 74 74 GLY C C 74 171.850 174.639 -2.789 1 1 866 . 12 1 1 A 75 75 PRO CA C 75 63.266 62.900 0.366 1 1 867 . 12 1 1 A 75 75 PRO HA H 75 4.487 4.629 -0.142 1 1 868 . 12 1 1 A 75 75 PRO CB C 75 32.196 32.860 -0.664 1 1 877 . 12 1 1 A 76 76 SER N N 76 116.439 117.578 -1.139 1 1 878 . 12 1 1 A 76 76 SER H H 76 8.562 8.641 -0.079 1 1 879 . 12 1 1 A 76 76 SER CA C 76 58.747 56.258 2.489 1 1 880 . 12 1 1 A 76 76 SER CB C 76 64.105 66.410 -2.305 1 1 1 . 13 1 1 A 6 6 SER CA C 6 58.690 58.336 0.354 1 1 2 . 13 1 1 A 6 6 SER HA H 6 4.411 4.530 -0.119 1 1 3 . 13 1 1 A 7 7 GLY N N 7 110.826 115.193 -4.367 1 1 4 . 13 1 1 A 7 7 GLY H H 7 8.436 8.828 -0.392 1 1 5 . 13 1 1 A 7 7 GLY CA C 7 45.315 46.395 -1.080 1 1 6 . 13 1 1 A 7 7 GLY HA2 H 7 4.029 3.814 0.215 1 1 7 . 13 1 1 A 7 7 GLY HA3 H 7 3.918 3.823 0.095 1 1 8 . 13 1 1 A 7 7 GLY C C 7 173.788 173.253 0.535 1 1 9 . 13 1 1 A 8 8 ARG N N 8 120.458 122.077 -1.619 1 1 10 . 13 1 1 A 8 8 ARG H H 8 8.272 7.926 0.346 1 1 11 . 13 1 1 A 8 8 ARG CA C 8 55.715 54.257 1.458 1 1 12 . 13 1 1 A 8 8 ARG HA H 8 4.500 4.910 -0.410 1 1 13 . 13 1 1 A 8 8 ARG CB C 8 31.541 33.054 -1.513 1 1 22 . 13 1 1 A 8 8 ARG C C 8 175.201 174.040 1.161 1 1 23 . 13 1 1 A 9 9 ARG N N 9 121.537 121.119 0.418 1 1 24 . 13 1 1 A 9 9 ARG H H 9 8.879 8.604 0.275 1 1 25 . 13 1 1 A 9 9 ARG CA C 9 54.737 54.504 0.233 1 1 26 . 13 1 1 A 9 9 ARG HA H 9 5.288 5.455 -0.167 1 1 27 . 13 1 1 A 9 9 ARG CB C 9 34.064 33.735 0.329 1 1 36 . 13 1 1 A 9 9 ARG C C 9 174.910 174.307 0.603 1 1 37 . 13 1 1 A 10 10 ALA N N 10 122.000 126.015 -4.015 1 1 38 . 13 1 1 A 10 10 ALA H H 10 9.200 8.921 0.279 1 1 39 . 13 1 1 A 10 10 ALA CA C 10 50.229 50.031 0.198 1 1 40 . 13 1 1 A 10 10 ALA HA H 10 5.143 5.603 -0.460 1 1 41 . 13 1 1 A 10 10 ALA CB C 10 23.552 22.444 1.108 1 1 45 . 13 1 1 A 10 10 ALA C C 10 173.920 174.999 -1.079 1 1 46 . 13 1 1 A 11 11 LYS N N 11 121.984 122.589 -0.605 1 1 47 . 13 1 1 A 11 11 LYS H H 11 8.962 8.708 0.254 1 1 48 . 13 1 1 A 11 11 LYS CA C 11 53.936 55.252 -1.316 1 1 49 . 13 1 1 A 11 11 LYS HA H 11 5.043 4.841 0.202 1 1 50 . 13 1 1 A 11 11 LYS CB C 11 35.705 34.050 1.655 1 1 62 . 13 1 1 A 11 11 LYS C C 11 176.193 176.510 -0.317 1 1 63 . 13 1 1 A 12 12 ALA N N 12 128.384 128.952 -0.568 1 1 64 . 13 1 1 A 12 12 ALA H H 12 8.974 9.019 -0.045 1 1 65 . 13 1 1 A 12 12 ALA CA C 12 52.878 52.534 0.344 1 1 66 . 13 1 1 A 12 12 ALA HA H 12 4.271 4.337 -0.066 1 1 67 . 13 1 1 A 12 12 ALA CB C 12 21.024 19.085 1.939 1 1 71 . 13 1 1 A 12 12 ALA C C 12 179.524 177.044 2.480 1 1 72 . 13 1 1 A 13 13 LEU N N 13 126.125 124.724 1.401 1 1 73 . 13 1 1 A 13 13 LEU H H 13 9.490 8.919 0.571 1 1 74 . 13 1 1 A 13 13 LEU CA C 13 55.697 55.769 -0.072 1 1 75 . 13 1 1 A 13 13 LEU HA H 13 4.258 4.459 -0.201 1 1 76 . 13 1 1 A 13 13 LEU CB C 13 43.073 43.156 -0.083 1 1 89 . 13 1 1 A 13 13 LEU C C 13 175.705 176.833 -1.128 1 1 90 . 13 1 1 A 14 14 LEU N N 14 116.229 113.877 2.352 1 1 91 . 13 1 1 A 14 14 LEU H H 14 7.638 7.715 -0.077 1 1 92 . 13 1 1 A 14 14 LEU CA C 14 53.715 53.808 -0.093 1 1 93 . 13 1 1 A 14 14 LEU HA H 14 4.436 4.786 -0.350 1 1 94 . 13 1 1 A 14 14 LEU CB C 14 45.286 44.779 0.507 1 1 107 . 13 1 1 A 14 14 LEU C C 14 173.987 174.647 -0.660 1 1 108 . 13 1 1 A 15 15 ASP N N 15 116.528 121.846 -5.318 1 1 109 . 13 1 1 A 15 15 ASP H H 15 8.047 8.696 -0.649 1 1 110 . 13 1 1 A 15 15 ASP CA C 15 54.712 54.011 0.701 1 1 111 . 13 1 1 A 15 15 ASP HA H 15 4.628 5.003 -0.375 1 1 112 . 13 1 1 A 15 15 ASP CB C 15 41.437 42.084 -0.647 1 1 115 . 13 1 1 A 16 16 PHE N N 16 123.405 126.483 -3.078 1 1 116 . 13 1 1 A 16 16 PHE H H 16 8.414 8.845 -0.431 1 1 117 . 13 1 1 A 16 16 PHE CA C 16 56.555 55.859 0.696 1 1 118 . 13 1 1 A 16 16 PHE HA H 16 4.576 5.070 -0.494 1 1 119 . 13 1 1 A 16 16 PHE CB C 16 41.647 41.694 -0.047 1 1 132 . 13 1 1 A 17 17 GLU N N 17 127.173 125.720 1.453 1 1 133 . 13 1 1 A 17 17 GLU H H 17 7.775 8.314 -0.539 1 1 134 . 13 1 1 A 17 17 GLU CA C 17 54.469 55.093 -0.624 1 1 135 . 13 1 1 A 17 17 GLU HA H 17 4.025 4.322 -0.297 1 1 136 . 13 1 1 A 17 17 GLU CB C 17 30.119 29.604 0.515 1 1 142 . 13 1 1 A 17 17 GLU C C 17 174.327 175.655 -1.328 1 1 143 . 13 1 1 A 18 18 ARG N N 18 123.112 125.498 -2.386 1 1 144 . 13 1 1 A 18 18 ARG H H 18 7.721 8.169 -0.448 1 1 145 . 13 1 1 A 18 18 ARG CA C 18 55.738 56.121 -0.383 1 1 146 . 13 1 1 A 18 18 ARG HA H 18 3.665 3.790 -0.125 1 1 147 . 13 1 1 A 18 18 ARG CB C 18 30.846 30.613 0.233 1 1 156 . 13 1 1 A 18 18 ARG C C 18 175.954 175.716 0.238 1 1 157 . 13 1 1 A 19 19 HIS N N 19 121.992 119.806 2.186 1 1 158 . 13 1 1 A 19 19 HIS H H 19 9.200 8.917 0.283 1 1 159 . 13 1 1 A 19 19 HIS CA C 19 56.774 57.230 -0.456 1 1 160 . 13 1 1 A 19 19 HIS HA H 19 4.612 4.555 0.057 1 1 161 . 13 1 1 A 19 19 HIS CB C 19 30.061 30.974 -0.913 1 1 168 . 13 1 1 A 19 19 HIS C C 19 174.151 174.838 -0.687 1 1 169 . 13 1 1 A 20 20 ASP N N 20 119.946 117.965 1.981 1 1 170 . 13 1 1 A 20 20 ASP H H 20 8.160 8.081 0.079 1 1 171 . 13 1 1 A 20 20 ASP CA C 20 53.371 54.374 -1.003 1 1 172 . 13 1 1 A 20 20 ASP HA H 20 4.785 4.714 0.071 1 1 173 . 13 1 1 A 20 20 ASP CB C 20 43.492 42.674 0.818 1 1 176 . 13 1 1 A 20 20 ASP C C 20 176.571 176.853 -0.282 1 1 177 . 13 1 1 A 21 21 ASP N N 21 119.329 124.564 -5.235 1 1 178 . 13 1 1 A 21 21 ASP H H 21 8.686 8.940 -0.254 1 1 179 . 13 1 1 A 21 21 ASP CA C 21 56.641 56.692 -0.051 1 1 180 . 13 1 1 A 21 21 ASP HA H 21 4.439 4.292 0.147 1 1 181 . 13 1 1 A 21 21 ASP CB C 21 40.977 40.407 0.570 1 1 184 . 13 1 1 A 21 21 ASP C C 21 176.619 177.942 -1.323 1 1 185 . 13 1 1 A 22 22 ASP N N 22 116.501 118.675 -2.174 1 1 186 . 13 1 1 A 22 22 ASP H H 22 8.702 7.933 0.769 1 1 187 . 13 1 1 A 22 22 ASP CA C 22 54.535 57.248 -2.713 1 1 188 . 13 1 1 A 22 22 ASP HA H 22 4.769 4.592 0.177 1 1 189 . 13 1 1 A 22 22 ASP CB C 22 40.833 41.623 -0.790 1 1 192 . 13 1 1 A 22 22 ASP C C 22 176.139 176.950 -0.811 1 1 193 . 13 1 1 A 23 23 GLU N N 23 119.696 119.067 0.629 1 1 194 . 13 1 1 A 23 23 GLU H H 23 7.540 8.140 -0.600 1 1 195 . 13 1 1 A 23 23 GLU CA C 23 55.398 57.547 -2.149 1 1 196 . 13 1 1 A 23 23 GLU HA H 23 4.519 3.947 0.572 1 1 197 . 13 1 1 A 23 23 GLU CB C 23 32.584 30.090 2.494 1 1 203 . 13 1 1 A 23 23 GLU C C 23 175.760 175.740 0.020 1 1 204 . 13 1 1 A 24 24 LEU N N 24 125.257 126.421 -1.164 1 1 205 . 13 1 1 A 24 24 LEU H H 24 8.766 8.897 -0.131 1 1 206 . 13 1 1 A 24 24 LEU CA C 24 53.525 53.992 -0.467 1 1 207 . 13 1 1 A 24 24 LEU HA H 24 4.410 5.074 -0.664 1 1 208 . 13 1 1 A 24 24 LEU CB C 24 44.685 44.519 0.166 1 1 221 . 13 1 1 A 24 24 LEU C C 24 173.987 176.194 -2.207 1 1 222 . 13 1 1 A 25 25 GLY N N 25 107.345 113.629 -6.284 1 1 223 . 13 1 1 A 25 25 GLY H H 25 7.584 9.091 -1.507 1 1 224 . 13 1 1 A 25 25 GLY CA C 25 44.096 44.066 0.030 1 1 225 . 13 1 1 A 25 25 GLY HA2 H 25 3.361 3.997 -0.636 1 1 226 . 13 1 1 A 25 25 GLY HA3 H 25 4.260 4.055 0.205 1 1 227 . 13 1 1 A 25 25 GLY C C 25 173.720 172.744 0.976 1 1 228 . 13 1 1 A 26 26 PHE N N 26 114.043 115.759 -1.716 1 1 229 . 13 1 1 A 26 26 PHE H H 26 8.330 8.563 -0.233 1 1 230 . 13 1 1 A 26 26 PHE CA C 26 56.440 56.350 0.090 1 1 231 . 13 1 1 A 26 26 PHE HA H 26 4.749 5.158 -0.409 1 1 232 . 13 1 1 A 26 26 PHE CB C 26 40.494 41.084 -0.590 1 1 245 . 13 1 1 A 26 26 PHE C C 26 174.820 172.495 2.325 1 1 246 . 13 1 1 A 27 27 ARG N N 27 120.928 118.996 1.932 1 1 247 . 13 1 1 A 27 27 ARG H H 27 9.597 8.651 0.946 1 1 248 . 13 1 1 A 27 27 ARG CA C 27 53.054 53.850 -0.796 1 1 249 . 13 1 1 A 27 27 ARG HA H 27 4.974 4.992 -0.018 1 1 250 . 13 1 1 A 27 27 ARG CB C 27 32.687 33.642 -0.955 1 1 259 . 13 1 1 A 27 27 ARG C C 27 175.511 175.599 -0.088 1 1 260 . 13 1 1 A 28 28 LYS N N 28 120.682 122.414 -1.732 1 1 261 . 13 1 1 A 28 28 LYS H H 28 8.922 8.622 0.300 1 1 262 . 13 1 1 A 28 28 LYS CA C 28 59.064 57.891 1.173 1 1 263 . 13 1 1 A 28 28 LYS HA H 28 3.220 4.012 -0.792 1 1 264 . 13 1 1 A 28 28 LYS CB C 28 32.826 32.357 0.469 1 1 276 . 13 1 1 A 28 28 LYS C C 28 177.019 177.318 -0.299 1 1 277 . 13 1 1 A 29 29 ASN N N 29 117.470 118.858 -1.388 1 1 278 . 13 1 1 A 29 29 ASN H H 29 8.728 9.082 -0.354 1 1 279 . 13 1 1 A 29 29 ASN CA C 29 56.477 54.349 2.128 1 1 280 . 13 1 1 A 29 29 ASN HA H 29 4.148 4.318 -0.170 1 1 281 . 13 1 1 A 29 29 ASN CB C 29 37.170 37.313 -0.143 1 1 287 . 13 1 1 A 29 29 ASN C C 29 174.716 173.573 1.143 1 1 288 . 13 1 1 A 30 30 ASP N N 30 122.549 116.385 6.164 1 1 289 . 13 1 1 A 30 30 ASP H H 30 8.527 7.692 0.835 1 1 290 . 13 1 1 A 30 30 ASP CA C 30 56.167 52.816 3.351 1 1 291 . 13 1 1 A 30 30 ASP HA H 30 4.596 5.187 -0.591 1 1 292 . 13 1 1 A 30 30 ASP CB C 30 41.797 43.632 -1.835 1 1 295 . 13 1 1 A 30 30 ASP C C 30 175.177 175.129 0.048 1 1 296 . 13 1 1 A 31 31 ILE N N 31 119.187 122.866 -3.679 1 1 297 . 13 1 1 A 31 31 ILE H H 31 8.267 8.690 -0.423 1 1 298 . 13 1 1 A 31 31 ILE CA C 31 59.191 60.266 -1.075 1 1 299 . 13 1 1 A 31 31 ILE HA H 31 4.819 4.776 0.043 1 1 300 . 13 1 1 A 31 31 ILE CB C 31 36.702 39.616 -2.914 1 1 313 . 13 1 1 A 31 31 ILE C C 31 175.437 175.175 0.262 1 1 314 . 13 1 1 A 32 32 ILE N N 32 129.566 126.558 3.008 1 1 315 . 13 1 1 A 32 32 ILE H H 32 9.247 8.782 0.465 1 1 316 . 13 1 1 A 32 32 ILE CA C 32 60.211 59.707 0.504 1 1 317 . 13 1 1 A 32 32 ILE HA H 32 4.140 4.602 -0.462 1 1 318 . 13 1 1 A 32 32 ILE CB C 32 41.978 41.324 0.654 1 1 331 . 13 1 1 A 32 32 ILE C C 32 176.197 175.054 1.143 1 1 332 . 13 1 1 A 33 33 THR N N 33 123.061 122.352 0.709 1 1 333 . 13 1 1 A 33 33 THR H H 33 8.741 8.419 0.322 1 1 334 . 13 1 1 A 33 33 THR CA C 33 63.117 63.248 -0.131 1 1 335 . 13 1 1 A 33 33 THR HA H 33 4.583 4.724 -0.141 1 1 336 . 13 1 1 A 33 33 THR CB C 33 69.626 68.993 0.633 1 1 342 . 13 1 1 A 33 33 THR C C 33 174.011 174.084 -0.073 1 1 343 . 13 1 1 A 34 34 ILE N N 34 128.281 127.325 0.956 1 1 344 . 13 1 1 A 34 34 ILE H H 34 9.110 9.182 -0.072 1 1 345 . 13 1 1 A 34 34 ILE CA C 34 61.566 60.649 0.917 1 1 346 . 13 1 1 A 34 34 ILE HA H 34 4.117 4.348 -0.231 1 1 347 . 13 1 1 A 34 34 ILE CB C 34 36.785 37.128 -0.343 1 1 360 . 13 1 1 A 34 34 ILE C C 34 175.420 175.449 -0.029 1 1 361 . 13 1 1 A 35 35 ILE N N 35 128.859 129.906 -1.047 1 1 362 . 13 1 1 A 35 35 ILE H H 35 9.359 9.339 0.020 1 1 363 . 13 1 1 A 35 35 ILE CA C 35 60.949 62.894 -1.945 1 1 364 . 13 1 1 A 35 35 ILE HA H 35 4.224 4.094 0.130 1 1 365 . 13 1 1 A 35 35 ILE CB C 35 38.186 38.111 0.075 1 1 378 . 13 1 1 A 35 35 ILE C C 35 176.253 176.314 -0.061 1 1 379 . 13 1 1 A 36 36 SER N N 36 111.665 113.963 -2.298 1 1 380 . 13 1 1 A 36 36 SER H H 36 7.882 7.934 -0.052 1 1 381 . 13 1 1 A 36 36 SER CA C 36 57.605 57.014 0.591 1 1 382 . 13 1 1 A 36 36 SER HA H 36 4.525 4.799 -0.274 1 1 383 . 13 1 1 A 36 36 SER CB C 36 64.435 65.584 -1.149 1 1 386 . 13 1 1 A 36 36 SER C C 36 172.845 172.985 -0.140 1 1 387 . 13 1 1 A 37 37 GLN N N 37 116.906 127.486 -10.580 1 1 388 . 13 1 1 A 37 37 GLN H H 37 8.055 8.948 -0.893 1 1 389 . 13 1 1 A 37 37 GLN CA C 37 54.718 54.364 0.354 1 1 390 . 13 1 1 A 37 37 GLN HA H 37 4.420 4.402 0.018 1 1 391 . 13 1 1 A 37 37 GLN CB C 37 29.381 26.934 2.447 1 1 400 . 13 1 1 A 37 37 GLN C C 37 175.080 175.846 -0.766 1 1 401 . 13 1 1 A 38 38 LYS N N 38 124.909 126.876 -1.967 1 1 402 . 13 1 1 A 38 38 LYS H H 38 8.046 8.088 -0.042 1 1 403 . 13 1 1 A 38 38 LYS CA C 38 58.998 59.946 -0.948 1 1 404 . 13 1 1 A 38 38 LYS HA H 38 4.076 3.877 0.199 1 1 405 . 13 1 1 A 38 38 LYS CB C 38 33.116 32.755 0.361 1 1 417 . 13 1 1 A 38 38 LYS C C 38 176.508 175.843 0.665 1 1 418 . 13 1 1 A 39 39 ASP N N 39 117.133 113.819 3.314 1 1 419 . 13 1 1 A 39 39 ASP H H 39 8.296 8.403 -0.107 1 1 420 . 13 1 1 A 39 39 ASP CA C 39 53.294 52.822 0.472 1 1 421 . 13 1 1 A 39 39 ASP HA H 39 4.558 5.009 -0.451 1 1 422 . 13 1 1 A 39 39 ASP CB C 39 41.847 42.532 -0.685 1 1 425 . 13 1 1 A 39 39 ASP C C 39 175.201 176.597 -1.396 1 1 426 . 13 1 1 A 40 40 GLU N N 40 116.223 119.652 -3.429 1 1 427 . 13 1 1 A 40 40 GLU H H 40 8.564 8.885 -0.321 1 1 428 . 13 1 1 A 40 40 GLU CA C 40 58.748 57.991 0.757 1 1 429 . 13 1 1 A 40 40 GLU HA H 40 4.088 4.547 -0.459 1 1 430 . 13 1 1 A 40 40 GLU CB C 40 29.696 29.859 -0.163 1 1 436 . 13 1 1 A 40 40 GLU C C 40 176.367 177.457 -1.090 1 1 437 . 13 1 1 A 41 41 HIS N N 41 114.612 116.107 -1.495 1 1 438 . 13 1 1 A 41 41 HIS H H 41 8.383 8.134 0.249 1 1 439 . 13 1 1 A 41 41 HIS CA C 41 56.873 57.083 -0.210 1 1 440 . 13 1 1 A 41 41 HIS HA H 41 4.613 4.426 0.187 1 1 441 . 13 1 1 A 41 41 HIS CB C 41 32.910 31.559 1.351 1 1 448 . 13 1 1 A 41 41 HIS C C 41 176.755 175.147 1.608 1 1 449 . 13 1 1 A 42 42 CYS N N 42 122.290 117.275 5.015 1 1 450 . 13 1 1 A 42 42 CYS H H 42 8.337 8.214 0.123 1 1 451 . 13 1 1 A 42 42 CYS CA C 42 58.168 57.225 0.943 1 1 452 . 13 1 1 A 42 42 CYS HA H 42 4.885 4.690 0.195 1 1 453 . 13 1 1 A 42 42 CYS CB C 42 29.227 29.398 -0.171 1 1 456 . 13 1 1 A 42 42 CYS C C 42 172.892 173.524 -0.632 1 1 457 . 13 1 1 A 43 43 TRP N N 43 127.114 127.693 -0.579 1 1 458 . 13 1 1 A 43 43 TRP H H 43 8.333 8.560 -0.227 1 1 459 . 13 1 1 A 43 43 TRP CA C 43 53.262 55.996 -2.734 1 1 460 . 13 1 1 A 43 43 TRP HA H 43 5.307 5.196 0.111 1 1 461 . 13 1 1 A 43 43 TRP CB C 43 33.323 32.335 0.988 1 1 476 . 13 1 1 A 43 43 TRP C C 43 173.064 175.056 -1.992 1 1 477 . 13 1 1 A 44 44 VAL N N 44 117.650 121.511 -3.861 1 1 478 . 13 1 1 A 44 44 VAL H H 44 8.591 8.640 -0.049 1 1 479 . 13 1 1 A 44 44 VAL CA C 44 61.801 60.996 0.805 1 1 480 . 13 1 1 A 44 44 VAL HA H 44 4.739 5.039 -0.300 1 1 481 . 13 1 1 A 44 44 VAL CB C 44 32.962 32.851 0.111 1 1 491 . 13 1 1 A 44 44 VAL C C 44 176.980 175.413 1.567 1 1 492 . 13 1 1 A 45 45 GLY N N 45 115.010 114.811 0.199 1 1 493 . 13 1 1 A 45 45 GLY H H 45 9.469 8.755 0.714 1 1 494 . 13 1 1 A 45 45 GLY CA C 45 45.159 44.632 0.527 1 1 495 . 13 1 1 A 45 45 GLY HA2 H 45 3.769 4.301 -0.532 1 1 496 . 13 1 1 A 45 45 GLY HA3 H 45 5.478 4.460 1.018 1 1 497 . 13 1 1 A 45 45 GLY C C 45 170.022 172.674 -2.652 1 1 498 . 13 1 1 A 46 46 GLU N N 46 118.202 120.769 -2.567 1 1 499 . 13 1 1 A 46 46 GLU H H 46 9.072 8.979 0.093 1 1 500 . 13 1 1 A 46 46 GLU CA C 46 54.226 55.351 -1.125 1 1 501 . 13 1 1 A 46 46 GLU HA H 46 5.720 5.581 0.139 1 1 502 . 13 1 1 A 46 46 GLU CB C 46 34.724 33.678 1.046 1 1 508 . 13 1 1 A 46 46 GLU C C 46 174.843 174.580 0.263 1 1 509 . 13 1 1 A 47 47 LEU N N 47 125.182 126.149 -0.967 1 1 510 . 13 1 1 A 47 47 LEU H H 47 8.880 8.819 0.061 1 1 511 . 13 1 1 A 47 47 LEU CA C 47 55.064 54.097 0.967 1 1 512 . 13 1 1 A 47 47 LEU HA H 47 4.711 4.539 0.172 1 1 513 . 13 1 1 A 47 47 LEU CB C 47 45.900 45.097 0.803 1 1 526 . 13 1 1 A 47 47 LEU C C 47 176.130 175.370 0.760 1 1 527 . 13 1 1 A 48 48 ASN N N 48 127.515 125.567 1.948 1 1 528 . 13 1 1 A 48 48 ASN H H 48 9.796 9.371 0.425 1 1 529 . 13 1 1 A 48 48 ASN CA C 48 54.407 54.508 -0.101 1 1 530 . 13 1 1 A 48 48 ASN HA H 48 4.457 4.473 -0.016 1 1 531 . 13 1 1 A 48 48 ASN CB C 48 37.546 37.397 0.149 1 1 537 . 13 1 1 A 48 48 ASN C C 48 174.935 175.570 -0.635 1 1 538 . 13 1 1 A 49 49 GLY N N 49 104.068 103.948 0.120 1 1 539 . 13 1 1 A 49 49 GLY H H 49 8.891 8.667 0.224 1 1 540 . 13 1 1 A 49 49 GLY CA C 49 45.471 46.518 -1.047 1 1 541 . 13 1 1 A 49 49 GLY HA2 H 49 3.621 3.939 -0.318 1 1 542 . 13 1 1 A 49 49 GLY HA3 H 49 4.230 3.943 0.287 1 1 543 . 13 1 1 A 49 49 GLY C C 49 173.671 173.857 -0.186 1 1 544 . 13 1 1 A 50 50 LEU N N 50 122.996 120.468 2.528 1 1 545 . 13 1 1 A 50 50 LEU H H 50 7.818 7.749 0.069 1 1 546 . 13 1 1 A 50 50 LEU CA C 50 53.971 54.124 -0.153 1 1 547 . 13 1 1 A 50 50 LEU HA H 50 4.727 4.721 0.006 1 1 548 . 13 1 1 A 50 50 LEU CB C 50 43.482 45.356 -1.874 1 1 561 . 13 1 1 A 50 50 LEU C C 50 174.930 174.518 0.412 1 1 562 . 13 1 1 A 51 51 ARG N N 51 119.072 125.608 -6.536 1 1 563 . 13 1 1 A 51 51 ARG H H 51 8.410 9.110 -0.700 1 1 564 . 13 1 1 A 51 51 ARG CA C 51 54.020 54.450 -0.430 1 1 565 . 13 1 1 A 51 51 ARG HA H 51 5.843 5.502 0.341 1 1 566 . 13 1 1 A 51 51 ARG CB C 51 34.724 33.415 1.309 1 1 575 . 13 1 1 A 51 51 ARG C C 51 176.707 175.648 1.059 1 1 576 . 13 1 1 A 52 52 GLY N N 52 109.058 112.734 -3.676 1 1 577 . 13 1 1 A 52 52 GLY H H 52 8.661 8.116 0.545 1 1 578 . 13 1 1 A 52 52 GLY CA C 52 45.683 46.027 -0.344 1 1 579 . 13 1 1 A 52 52 GLY HA2 H 52 3.975 4.430 -0.455 1 1 580 . 13 1 1 A 52 52 GLY HA3 H 52 4.248 4.431 -0.183 1 1 581 . 13 1 1 A 52 52 GLY C C 52 171.261 172.689 -1.428 1 1 582 . 13 1 1 A 53 53 TRP N N 53 119.558 117.547 2.011 1 1 583 . 13 1 1 A 53 53 TRP H H 53 8.825 8.946 -0.121 1 1 584 . 13 1 1 A 53 53 TRP CA C 53 55.402 55.795 -0.393 1 1 585 . 13 1 1 A 53 53 TRP HA H 53 6.222 5.785 0.437 1 1 586 . 13 1 1 A 53 53 TRP CB C 53 31.856 32.299 -0.443 1 1 601 . 13 1 1 A 53 53 TRP C C 53 176.100 175.497 0.603 1 1 602 . 13 1 1 A 54 54 PHE N N 54 115.426 115.845 -0.419 1 1 603 . 13 1 1 A 54 54 PHE H H 54 8.976 8.416 0.560 1 1 604 . 13 1 1 A 54 54 PHE CA C 54 55.805 55.643 0.162 1 1 605 . 13 1 1 A 54 54 PHE HA H 54 4.833 4.558 0.275 1 1 606 . 13 1 1 A 54 54 PHE CB C 54 39.295 39.494 -0.199 1 1 619 . 13 1 1 A 54 54 PHE C C 54 171.898 171.908 -0.010 1 1 620 . 13 1 1 A 55 55 PRO CA C 55 61.963 62.636 -0.673 1 1 621 . 13 1 1 A 55 55 PRO HA H 55 4.654 4.661 -0.007 1 1 622 . 13 1 1 A 55 55 PRO CB C 55 31.179 31.538 -0.359 1 1 631 . 13 1 1 A 55 55 PRO C C 55 177.168 177.764 -0.596 1 1 632 . 13 1 1 A 56 56 ALA N N 56 130.132 128.064 2.068 1 1 633 . 13 1 1 A 56 56 ALA H H 56 7.818 8.384 -0.566 1 1 634 . 13 1 1 A 56 56 ALA CA C 56 55.045 54.950 0.095 1 1 635 . 13 1 1 A 56 56 ALA HA H 56 3.032 3.947 -0.915 1 1 636 . 13 1 1 A 56 56 ALA CB C 56 16.542 16.864 -0.322 1 1 640 . 13 1 1 A 56 56 ALA C C 56 178.595 179.500 -0.905 1 1 641 . 13 1 1 A 57 57 LYS N N 57 110.974 116.117 -5.143 1 1 642 . 13 1 1 A 57 57 LYS H H 57 8.024 7.984 0.040 1 1 643 . 13 1 1 A 57 57 LYS CA C 57 57.118 58.854 -1.736 1 1 644 . 13 1 1 A 57 57 LYS HA H 57 4.213 3.977 0.236 1 1 645 . 13 1 1 A 57 57 LYS CB C 57 31.641 31.964 -0.323 1 1 657 . 13 1 1 A 57 57 LYS C C 57 177.053 178.341 -1.288 1 1 658 . 13 1 1 A 58 58 PHE N N 58 118.768 118.899 -0.131 1 1 659 . 13 1 1 A 58 58 PHE H H 58 7.911 7.926 -0.015 1 1 660 . 13 1 1 A 58 58 PHE CA C 58 56.933 60.609 -3.676 1 1 661 . 13 1 1 A 58 58 PHE HA H 58 4.739 4.314 0.425 1 1 662 . 13 1 1 A 58 58 PHE CB C 58 38.643 38.409 0.234 1 1 675 . 13 1 1 A 58 58 PHE C C 58 174.837 175.827 -0.990 1 1 676 . 13 1 1 A 59 59 VAL N N 59 109.843 113.647 -3.804 1 1 677 . 13 1 1 A 59 59 VAL H H 59 7.796 7.798 -0.002 1 1 678 . 13 1 1 A 59 59 VAL CA C 59 58.332 59.700 -1.368 1 1 679 . 13 1 1 A 59 59 VAL HA H 59 5.333 4.770 0.563 1 1 680 . 13 1 1 A 59 59 VAL CB C 59 35.704 34.986 0.718 1 1 690 . 13 1 1 A 59 59 VAL C C 59 173.452 174.353 -0.901 1 1 691 . 13 1 1 A 60 60 GLU N N 60 119.932 121.285 -1.353 1 1 692 . 13 1 1 A 60 60 GLU H H 60 8.699 8.861 -0.162 1 1 693 . 13 1 1 A 60 60 GLU CA C 60 54.202 54.796 -0.594 1 1 694 . 13 1 1 A 60 60 GLU HA H 60 4.863 5.100 -0.237 1 1 695 . 13 1 1 A 60 60 GLU CB C 60 33.573 33.455 0.118 1 1 701 . 13 1 1 A 60 60 GLU C C 60 176.100 175.700 0.400 1 1 702 . 13 1 1 A 61 61 VAL N N 61 127.661 127.087 0.574 1 1 703 . 13 1 1 A 61 61 VAL H H 61 9.107 8.702 0.405 1 1 704 . 13 1 1 A 61 61 VAL CA C 61 64.612 62.749 1.863 1 1 705 . 13 1 1 A 61 61 VAL HA H 61 3.957 4.327 -0.370 1 1 706 . 13 1 1 A 61 61 VAL CB C 61 31.875 32.419 -0.544 1 1 716 . 13 1 1 A 61 61 VAL C C 61 176.294 175.232 1.062 1 1 717 . 13 1 1 A 62 62 LEU N N 62 128.512 124.785 3.727 1 1 718 . 13 1 1 A 62 62 LEU H H 62 8.777 8.563 0.214 1 1 719 . 13 1 1 A 62 62 LEU CA C 62 54.677 53.710 0.967 1 1 720 . 13 1 1 A 62 62 LEU HA H 62 4.456 4.955 -0.499 1 1 721 . 13 1 1 A 62 62 LEU CB C 62 42.548 45.676 -3.128 1 1 734 . 13 1 1 A 62 62 LEU C C 62 176.888 175.858 1.030 1 1 735 . 13 1 1 A 63 63 ASP N N 63 122.605 124.695 -2.090 1 1 736 . 13 1 1 A 63 63 ASP H H 63 8.588 8.923 -0.335 1 1 737 . 13 1 1 A 63 63 ASP CA C 63 53.971 53.751 0.220 1 1 738 . 13 1 1 A 63 63 ASP HA H 63 4.643 4.855 -0.212 1 1 739 . 13 1 1 A 63 63 ASP CB C 63 41.629 40.618 1.011 1 1 742 . 13 1 1 A 63 63 ASP C C 63 176.460 174.725 1.735 1 1 743 . 13 1 1 A 64 64 GLU N N 64 122.614 115.844 6.770 1 1 744 . 13 1 1 A 64 64 GLU H H 64 8.634 8.148 0.486 1 1 745 . 13 1 1 A 64 64 GLU CA C 64 57.086 57.788 -0.702 1 1 746 . 13 1 1 A 64 64 GLU HA H 64 4.158 3.970 0.188 1 1 747 . 13 1 1 A 64 64 GLU CB C 64 30.055 27.802 2.253 1 1 753 . 13 1 1 A 64 64 GLU C C 64 176.801 175.710 1.091 1 1 754 . 13 1 1 A 65 65 ARG N N 65 120.526 111.201 9.325 1 1 755 . 13 1 1 A 65 65 ARG H H 65 8.416 8.498 -0.082 1 1 756 . 13 1 1 A 65 65 ARG CA C 65 56.430 56.950 -0.520 1 1 757 . 13 1 1 A 65 65 ARG HA H 65 4.323 3.948 0.375 1 1 758 . 13 1 1 A 65 65 ARG CB C 65 30.493 27.789 2.704 1 1 767 . 13 1 1 A 65 65 ARG C C 65 176.896 174.524 2.372 1 1 768 . 13 1 1 A 66 66 SER N N 66 116.214 113.751 2.463 1 1 769 . 13 1 1 A 66 66 SER H H 66 8.225 7.939 0.286 1 1 770 . 13 1 1 A 66 66 SER CA C 66 58.732 56.764 1.968 1 1 771 . 13 1 1 A 66 66 SER HA H 66 4.799 4.778 0.021 1 1 772 . 13 1 1 A 66 66 SER CB C 66 63.879 63.049 0.830 1 1 775 . 13 1 1 A 66 66 SER C C 66 175.225 172.649 2.576 1 1 776 . 13 1 1 A 67 67 LYS CA C 67 56.993 54.986 2.007 1 1 777 . 13 1 1 A 67 67 LYS HA H 67 4.270 4.968 -0.698 1 1 778 . 13 1 1 A 67 67 LYS CB C 67 32.724 34.943 -2.219 1 1 790 . 13 1 1 A 68 68 GLU N N 68 120.561 120.538 0.023 1 1 791 . 13 1 1 A 68 68 GLU H H 68 8.417 8.626 -0.209 1 1 792 . 13 1 1 A 68 68 GLU CA C 68 57.144 54.657 2.487 1 1 793 . 13 1 1 A 68 68 GLU HA H 68 4.193 5.140 -0.947 1 1 794 . 13 1 1 A 68 68 GLU CB C 68 30.025 33.306 -3.281 1 1 800 . 13 1 1 A 68 68 GLU C C 68 176.828 175.374 1.454 1 1 801 . 13 1 1 A 69 69 TYR N N 69 120.399 126.254 -5.855 1 1 802 . 13 1 1 A 69 69 TYR H H 69 8.027 9.077 -1.050 1 1 803 . 13 1 1 A 69 69 TYR CA C 69 58.296 57.598 0.698 1 1 804 . 13 1 1 A 69 69 TYR HA H 69 4.504 4.972 -0.468 1 1 805 . 13 1 1 A 69 69 TYR CB C 69 38.965 40.433 -1.468 1 1 816 . 13 1 1 A 69 69 TYR C C 69 176.367 175.530 0.837 1 1 817 . 13 1 1 A 70 70 SER N N 70 117.031 115.582 1.449 1 1 818 . 13 1 1 A 70 70 SER H H 70 8.067 8.967 -0.900 1 1 819 . 13 1 1 A 70 70 SER CA C 70 58.167 59.184 -1.017 1 1 820 . 13 1 1 A 70 70 SER HA H 70 4.441 4.812 -0.371 1 1 821 . 13 1 1 A 70 70 SER CB C 70 63.911 65.536 -1.625 1 1 824 . 13 1 1 A 70 70 SER C C 70 174.448 174.158 0.290 1 1 825 . 13 1 1 A 71 71 ILE N N 71 122.402 115.397 7.005 1 1 826 . 13 1 1 A 71 71 ILE H H 71 8.083 7.817 0.266 1 1 827 . 13 1 1 A 71 71 ILE CA C 71 61.411 59.189 2.222 1 1 828 . 13 1 1 A 71 71 ILE HA H 71 4.161 4.992 -0.831 1 1 829 . 13 1 1 A 71 71 ILE CB C 71 38.779 42.001 -3.222 1 1 842 . 13 1 1 A 71 71 ILE C C 71 176.172 174.792 1.380 1 1 843 . 13 1 1 A 72 72 ALA N N 72 127.574 125.825 1.749 1 1 844 . 13 1 1 A 72 72 ALA H H 72 8.306 8.909 -0.603 1 1 845 . 13 1 1 A 72 72 ALA CA C 72 52.631 50.023 2.608 1 1 846 . 13 1 1 A 72 72 ALA HA H 72 4.366 5.163 -0.797 1 1 847 . 13 1 1 A 72 72 ALA CB C 72 19.242 22.888 -3.646 1 1 851 . 13 1 1 A 72 72 ALA C C 72 177.702 176.542 1.160 1 1 852 . 13 1 1 A 73 73 SER N N 73 115.199 113.817 1.382 1 1 853 . 13 1 1 A 73 73 SER H H 73 8.223 8.736 -0.513 1 1 854 . 13 1 1 A 73 73 SER CA C 73 58.285 58.008 0.277 1 1 855 . 13 1 1 A 73 73 SER HA H 73 4.471 4.614 -0.143 1 1 856 . 13 1 1 A 73 73 SER CB C 73 64.233 64.621 -0.388 1 1 859 . 13 1 1 A 73 73 SER C C 73 174.639 174.087 0.552 1 1 860 . 13 1 1 A 74 74 GLY N N 74 110.616 108.498 2.118 1 1 861 . 13 1 1 A 74 74 GLY H H 74 8.185 8.050 0.135 1 1 862 . 13 1 1 A 74 74 GLY CA C 74 44.677 45.816 -1.139 1 1 863 . 13 1 1 A 74 74 GLY HA2 H 74 4.171 4.124 0.047 1 1 864 . 13 1 1 A 74 74 GLY HA3 H 74 4.107 4.125 -0.018 1 1 865 . 13 1 1 A 74 74 GLY C C 74 171.850 173.639 -1.789 1 1 866 . 13 1 1 A 75 75 PRO CA C 75 63.266 64.221 -0.955 1 1 867 . 13 1 1 A 75 75 PRO HA H 75 4.487 4.364 0.123 1 1 868 . 13 1 1 A 75 75 PRO CB C 75 32.196 31.835 0.361 1 1 877 . 13 1 1 A 76 76 SER N N 76 116.439 115.861 0.578 1 1 878 . 13 1 1 A 76 76 SER H H 76 8.562 8.137 0.425 1 1 879 . 13 1 1 A 76 76 SER CA C 76 58.747 59.249 -0.502 1 1 880 . 13 1 1 A 76 76 SER CB C 76 64.105 60.819 3.286 1 1 1 . 14 1 1 A 6 6 SER CA C 6 58.690 58.801 -0.111 1 1 2 . 14 1 1 A 6 6 SER HA H 6 4.411 4.627 -0.216 1 1 3 . 14 1 1 A 7 7 GLY N N 7 110.826 110.262 0.564 1 1 4 . 14 1 1 A 7 7 GLY H H 7 8.436 7.857 0.579 1 1 5 . 14 1 1 A 7 7 GLY CA C 7 45.315 44.737 0.578 1 1 6 . 14 1 1 A 7 7 GLY HA2 H 7 4.029 4.040 -0.011 1 1 7 . 14 1 1 A 7 7 GLY HA3 H 7 3.918 4.048 -0.130 1 1 8 . 14 1 1 A 7 7 GLY C C 7 173.788 172.919 0.869 1 1 9 . 14 1 1 A 8 8 ARG N N 8 120.458 122.153 -1.695 1 1 10 . 14 1 1 A 8 8 ARG H H 8 8.272 8.802 -0.530 1 1 11 . 14 1 1 A 8 8 ARG CA C 8 55.715 54.198 1.517 1 1 12 . 14 1 1 A 8 8 ARG HA H 8 4.500 5.037 -0.537 1 1 13 . 14 1 1 A 8 8 ARG CB C 8 31.541 34.453 -2.912 1 1 22 . 14 1 1 A 8 8 ARG C C 8 175.201 174.856 0.345 1 1 23 . 14 1 1 A 9 9 ARG N N 9 121.537 119.635 1.902 1 1 24 . 14 1 1 A 9 9 ARG H H 9 8.879 8.568 0.311 1 1 25 . 14 1 1 A 9 9 ARG CA C 9 54.737 54.434 0.303 1 1 26 . 14 1 1 A 9 9 ARG HA H 9 5.288 5.127 0.161 1 1 27 . 14 1 1 A 9 9 ARG CB C 9 34.064 34.118 -0.054 1 1 36 . 14 1 1 A 9 9 ARG C C 9 174.910 174.405 0.505 1 1 37 . 14 1 1 A 10 10 ALA N N 10 122.000 124.724 -2.724 1 1 38 . 14 1 1 A 10 10 ALA H H 10 9.200 9.080 0.120 1 1 39 . 14 1 1 A 10 10 ALA CA C 10 50.229 49.990 0.239 1 1 40 . 14 1 1 A 10 10 ALA HA H 10 5.143 5.714 -0.571 1 1 41 . 14 1 1 A 10 10 ALA CB C 10 23.552 22.679 0.873 1 1 45 . 14 1 1 A 10 10 ALA C C 10 173.920 174.816 -0.896 1 1 46 . 14 1 1 A 11 11 LYS N N 11 121.984 122.062 -0.078 1 1 47 . 14 1 1 A 11 11 LYS H H 11 8.962 9.036 -0.074 1 1 48 . 14 1 1 A 11 11 LYS CA C 11 53.936 54.675 -0.739 1 1 49 . 14 1 1 A 11 11 LYS HA H 11 5.043 4.922 0.121 1 1 50 . 14 1 1 A 11 11 LYS CB C 11 35.705 35.335 0.370 1 1 62 . 14 1 1 A 11 11 LYS C C 11 176.193 175.846 0.347 1 1 63 . 14 1 1 A 12 12 ALA N N 12 128.384 128.860 -0.476 1 1 64 . 14 1 1 A 12 12 ALA H H 12 8.974 8.815 0.159 1 1 65 . 14 1 1 A 12 12 ALA CA C 12 52.878 52.444 0.434 1 1 66 . 14 1 1 A 12 12 ALA HA H 12 4.271 4.374 -0.103 1 1 67 . 14 1 1 A 12 12 ALA CB C 12 21.024 19.038 1.986 1 1 71 . 14 1 1 A 12 12 ALA C C 12 179.524 177.945 1.579 1 1 72 . 14 1 1 A 13 13 LEU N N 13 126.125 125.856 0.269 1 1 73 . 14 1 1 A 13 13 LEU H H 13 9.490 8.615 0.875 1 1 74 . 14 1 1 A 13 13 LEU CA C 13 55.697 56.234 -0.537 1 1 75 . 14 1 1 A 13 13 LEU HA H 13 4.258 4.232 0.026 1 1 76 . 14 1 1 A 13 13 LEU CB C 13 43.073 42.945 0.128 1 1 89 . 14 1 1 A 13 13 LEU C C 13 175.705 176.738 -1.033 1 1 90 . 14 1 1 A 14 14 LEU N N 14 116.229 113.819 2.410 1 1 91 . 14 1 1 A 14 14 LEU H H 14 7.638 7.627 0.011 1 1 92 . 14 1 1 A 14 14 LEU CA C 14 53.715 53.564 0.151 1 1 93 . 14 1 1 A 14 14 LEU HA H 14 4.436 4.769 -0.333 1 1 94 . 14 1 1 A 14 14 LEU CB C 14 45.286 43.824 1.462 1 1 107 . 14 1 1 A 14 14 LEU C C 14 173.987 175.570 -1.583 1 1 108 . 14 1 1 A 15 15 ASP N N 15 116.528 119.274 -2.746 1 1 109 . 14 1 1 A 15 15 ASP H H 15 8.047 8.584 -0.537 1 1 110 . 14 1 1 A 15 15 ASP CA C 15 54.712 53.475 1.237 1 1 111 . 14 1 1 A 15 15 ASP HA H 15 4.628 5.184 -0.556 1 1 112 . 14 1 1 A 15 15 ASP CB C 15 41.437 42.056 -0.619 1 1 115 . 14 1 1 A 16 16 PHE N N 16 123.405 122.118 1.287 1 1 116 . 14 1 1 A 16 16 PHE H H 16 8.414 9.066 -0.652 1 1 117 . 14 1 1 A 16 16 PHE CA C 16 56.555 57.493 -0.938 1 1 118 . 14 1 1 A 16 16 PHE HA H 16 4.576 4.730 -0.154 1 1 119 . 14 1 1 A 16 16 PHE CB C 16 41.647 41.534 0.113 1 1 132 . 14 1 1 A 17 17 GLU N N 17 127.173 125.037 2.136 1 1 133 . 14 1 1 A 17 17 GLU H H 17 7.775 8.223 -0.448 1 1 134 . 14 1 1 A 17 17 GLU CA C 17 54.469 54.731 -0.262 1 1 135 . 14 1 1 A 17 17 GLU HA H 17 4.025 4.570 -0.545 1 1 136 . 14 1 1 A 17 17 GLU CB C 17 30.119 30.399 -0.280 1 1 142 . 14 1 1 A 17 17 GLU C C 17 174.327 175.222 -0.895 1 1 143 . 14 1 1 A 18 18 ARG N N 18 123.112 121.573 1.539 1 1 144 . 14 1 1 A 18 18 ARG H H 18 7.721 8.057 -0.336 1 1 145 . 14 1 1 A 18 18 ARG CA C 18 55.738 55.681 0.057 1 1 146 . 14 1 1 A 18 18 ARG HA H 18 3.665 3.419 0.246 1 1 147 . 14 1 1 A 18 18 ARG CB C 18 30.846 30.424 0.422 1 1 156 . 14 1 1 A 18 18 ARG C C 18 175.954 175.334 0.620 1 1 157 . 14 1 1 A 19 19 HIS N N 19 121.992 117.898 4.094 1 1 158 . 14 1 1 A 19 19 HIS H H 19 9.200 8.334 0.866 1 1 159 . 14 1 1 A 19 19 HIS CA C 19 56.774 57.138 -0.364 1 1 160 . 14 1 1 A 19 19 HIS HA H 19 4.612 4.616 -0.004 1 1 161 . 14 1 1 A 19 19 HIS CB C 19 30.061 31.465 -1.404 1 1 168 . 14 1 1 A 19 19 HIS C C 19 174.151 174.845 -0.694 1 1 169 . 14 1 1 A 20 20 ASP N N 20 119.946 117.865 2.081 1 1 170 . 14 1 1 A 20 20 ASP H H 20 8.160 7.874 0.286 1 1 171 . 14 1 1 A 20 20 ASP CA C 20 53.371 53.927 -0.556 1 1 172 . 14 1 1 A 20 20 ASP HA H 20 4.785 4.727 0.058 1 1 173 . 14 1 1 A 20 20 ASP CB C 20 43.492 42.575 0.917 1 1 176 . 14 1 1 A 20 20 ASP C C 20 176.571 176.479 0.092 1 1 177 . 14 1 1 A 21 21 ASP N N 21 119.329 125.532 -6.203 1 1 178 . 14 1 1 A 21 21 ASP H H 21 8.686 8.846 -0.160 1 1 179 . 14 1 1 A 21 21 ASP CA C 21 56.641 56.847 -0.206 1 1 180 . 14 1 1 A 21 21 ASP HA H 21 4.439 4.235 0.204 1 1 181 . 14 1 1 A 21 21 ASP CB C 21 40.977 40.238 0.739 1 1 184 . 14 1 1 A 21 21 ASP C C 21 176.619 177.931 -1.312 1 1 185 . 14 1 1 A 22 22 ASP N N 22 116.501 117.837 -1.336 1 1 186 . 14 1 1 A 22 22 ASP H H 22 8.702 7.889 0.813 1 1 187 . 14 1 1 A 22 22 ASP CA C 22 54.535 56.455 -1.920 1 1 188 . 14 1 1 A 22 22 ASP HA H 22 4.769 4.618 0.151 1 1 189 . 14 1 1 A 22 22 ASP CB C 22 40.833 41.098 -0.265 1 1 192 . 14 1 1 A 22 22 ASP C C 22 176.139 177.301 -1.162 1 1 193 . 14 1 1 A 23 23 GLU N N 23 119.696 118.381 1.315 1 1 194 . 14 1 1 A 23 23 GLU H H 23 7.540 8.264 -0.724 1 1 195 . 14 1 1 A 23 23 GLU CA C 23 55.398 56.973 -1.575 1 1 196 . 14 1 1 A 23 23 GLU HA H 23 4.519 4.080 0.439 1 1 197 . 14 1 1 A 23 23 GLU CB C 23 32.584 30.122 2.462 1 1 203 . 14 1 1 A 23 23 GLU C C 23 175.760 175.090 0.670 1 1 204 . 14 1 1 A 24 24 LEU N N 24 125.257 124.238 1.019 1 1 205 . 14 1 1 A 24 24 LEU H H 24 8.766 8.464 0.302 1 1 206 . 14 1 1 A 24 24 LEU CA C 24 53.525 53.833 -0.308 1 1 207 . 14 1 1 A 24 24 LEU HA H 24 4.410 5.082 -0.672 1 1 208 . 14 1 1 A 24 24 LEU CB C 24 44.685 45.511 -0.826 1 1 221 . 14 1 1 A 24 24 LEU C C 24 173.987 176.361 -2.374 1 1 222 . 14 1 1 A 25 25 GLY N N 25 107.345 113.767 -6.422 1 1 223 . 14 1 1 A 25 25 GLY H H 25 7.584 8.967 -1.383 1 1 224 . 14 1 1 A 25 25 GLY CA C 25 44.096 44.148 -0.052 1 1 225 . 14 1 1 A 25 25 GLY HA2 H 25 3.361 3.929 -0.568 1 1 226 . 14 1 1 A 25 25 GLY HA3 H 25 4.260 3.933 0.327 1 1 227 . 14 1 1 A 25 25 GLY C C 25 173.720 173.024 0.696 1 1 228 . 14 1 1 A 26 26 PHE N N 26 114.043 115.598 -1.555 1 1 229 . 14 1 1 A 26 26 PHE H H 26 8.330 8.423 -0.093 1 1 230 . 14 1 1 A 26 26 PHE CA C 26 56.440 56.490 -0.050 1 1 231 . 14 1 1 A 26 26 PHE HA H 26 4.749 5.083 -0.334 1 1 232 . 14 1 1 A 26 26 PHE CB C 26 40.494 40.518 -0.024 1 1 245 . 14 1 1 A 26 26 PHE C C 26 174.820 172.462 2.358 1 1 246 . 14 1 1 A 27 27 ARG N N 27 120.928 119.389 1.539 1 1 247 . 14 1 1 A 27 27 ARG H H 27 9.597 8.814 0.783 1 1 248 . 14 1 1 A 27 27 ARG CA C 27 53.054 53.962 -0.908 1 1 249 . 14 1 1 A 27 27 ARG HA H 27 4.974 4.907 0.067 1 1 250 . 14 1 1 A 27 27 ARG CB C 27 32.687 33.404 -0.717 1 1 259 . 14 1 1 A 27 27 ARG C C 27 175.511 175.667 -0.156 1 1 260 . 14 1 1 A 28 28 LYS N N 28 120.682 122.373 -1.691 1 1 261 . 14 1 1 A 28 28 LYS H H 28 8.922 8.625 0.297 1 1 262 . 14 1 1 A 28 28 LYS CA C 28 59.064 58.016 1.048 1 1 263 . 14 1 1 A 28 28 LYS HA H 28 3.220 4.007 -0.787 1 1 264 . 14 1 1 A 28 28 LYS CB C 28 32.826 32.315 0.511 1 1 276 . 14 1 1 A 28 28 LYS C C 28 177.019 177.310 -0.291 1 1 277 . 14 1 1 A 29 29 ASN N N 29 117.470 118.955 -1.485 1 1 278 . 14 1 1 A 29 29 ASN H H 29 8.728 9.262 -0.534 1 1 279 . 14 1 1 A 29 29 ASN CA C 29 56.477 54.287 2.190 1 1 280 . 14 1 1 A 29 29 ASN HA H 29 4.148 4.277 -0.129 1 1 281 . 14 1 1 A 29 29 ASN CB C 29 37.170 37.285 -0.115 1 1 287 . 14 1 1 A 29 29 ASN C C 29 174.716 173.607 1.109 1 1 288 . 14 1 1 A 30 30 ASP N N 30 122.549 117.104 5.445 1 1 289 . 14 1 1 A 30 30 ASP H H 30 8.527 7.738 0.789 1 1 290 . 14 1 1 A 30 30 ASP CA C 30 56.167 53.042 3.125 1 1 291 . 14 1 1 A 30 30 ASP HA H 30 4.596 5.060 -0.464 1 1 292 . 14 1 1 A 30 30 ASP CB C 30 41.797 43.729 -1.932 1 1 295 . 14 1 1 A 30 30 ASP C C 30 175.177 175.036 0.141 1 1 296 . 14 1 1 A 31 31 ILE N N 31 119.187 124.780 -5.593 1 1 297 . 14 1 1 A 31 31 ILE H H 31 8.267 8.868 -0.601 1 1 298 . 14 1 1 A 31 31 ILE CA C 31 59.191 60.430 -1.239 1 1 299 . 14 1 1 A 31 31 ILE HA H 31 4.819 4.508 0.311 1 1 300 . 14 1 1 A 31 31 ILE CB C 31 36.702 37.528 -0.826 1 1 313 . 14 1 1 A 31 31 ILE C C 31 175.437 175.464 -0.027 1 1 314 . 14 1 1 A 32 32 ILE N N 32 129.566 128.854 0.712 1 1 315 . 14 1 1 A 32 32 ILE H H 32 9.247 9.195 0.052 1 1 316 . 14 1 1 A 32 32 ILE CA C 32 60.211 59.477 0.734 1 1 317 . 14 1 1 A 32 32 ILE HA H 32 4.140 4.824 -0.684 1 1 318 . 14 1 1 A 32 32 ILE CB C 32 41.978 40.259 1.719 1 1 331 . 14 1 1 A 32 32 ILE C C 32 176.197 175.544 0.653 1 1 332 . 14 1 1 A 33 33 THR N N 33 123.061 122.362 0.699 1 1 333 . 14 1 1 A 33 33 THR H H 33 8.741 8.485 0.256 1 1 334 . 14 1 1 A 33 33 THR CA C 33 63.117 63.532 -0.415 1 1 335 . 14 1 1 A 33 33 THR HA H 33 4.583 4.414 0.169 1 1 336 . 14 1 1 A 33 33 THR CB C 33 69.626 68.894 0.732 1 1 342 . 14 1 1 A 33 33 THR C C 33 174.011 174.190 -0.179 1 1 343 . 14 1 1 A 34 34 ILE N N 34 128.281 127.903 0.378 1 1 344 . 14 1 1 A 34 34 ILE H H 34 9.110 8.586 0.524 1 1 345 . 14 1 1 A 34 34 ILE CA C 34 61.566 61.172 0.394 1 1 346 . 14 1 1 A 34 34 ILE HA H 34 4.117 4.212 -0.095 1 1 347 . 14 1 1 A 34 34 ILE CB C 34 36.785 37.092 -0.307 1 1 360 . 14 1 1 A 34 34 ILE C C 34 175.420 175.490 -0.070 1 1 361 . 14 1 1 A 35 35 ILE N N 35 128.859 129.612 -0.753 1 1 362 . 14 1 1 A 35 35 ILE H H 35 9.359 9.434 -0.075 1 1 363 . 14 1 1 A 35 35 ILE CA C 35 60.949 62.741 -1.792 1 1 364 . 14 1 1 A 35 35 ILE HA H 35 4.224 4.098 0.126 1 1 365 . 14 1 1 A 35 35 ILE CB C 35 38.186 38.363 -0.177 1 1 378 . 14 1 1 A 35 35 ILE C C 35 176.253 175.848 0.405 1 1 379 . 14 1 1 A 36 36 SER N N 36 111.665 112.757 -1.092 1 1 380 . 14 1 1 A 36 36 SER H H 36 7.882 7.649 0.233 1 1 381 . 14 1 1 A 36 36 SER CA C 36 57.605 56.715 0.890 1 1 382 . 14 1 1 A 36 36 SER HA H 36 4.525 4.625 -0.100 1 1 383 . 14 1 1 A 36 36 SER CB C 36 64.435 65.609 -1.174 1 1 386 . 14 1 1 A 36 36 SER C C 36 172.845 172.250 0.595 1 1 387 . 14 1 1 A 37 37 GLN N N 37 116.906 120.816 -3.910 1 1 388 . 14 1 1 A 37 37 GLN H H 37 8.055 8.485 -0.430 1 1 389 . 14 1 1 A 37 37 GLN CA C 37 54.718 54.292 0.426 1 1 390 . 14 1 1 A 37 37 GLN HA H 37 4.420 4.869 -0.449 1 1 391 . 14 1 1 A 37 37 GLN CB C 37 29.381 29.393 -0.012 1 1 400 . 14 1 1 A 37 37 GLN C C 37 175.080 176.052 -0.972 1 1 401 . 14 1 1 A 38 38 LYS N N 38 124.909 125.640 -0.731 1 1 402 . 14 1 1 A 38 38 LYS H H 38 8.046 8.489 -0.443 1 1 403 . 14 1 1 A 38 38 LYS CA C 38 58.998 59.066 -0.068 1 1 404 . 14 1 1 A 38 38 LYS HA H 38 4.076 4.104 -0.028 1 1 405 . 14 1 1 A 38 38 LYS CB C 38 33.116 32.751 0.365 1 1 417 . 14 1 1 A 38 38 LYS C C 38 176.508 176.708 -0.200 1 1 418 . 14 1 1 A 39 39 ASP N N 39 117.133 117.458 -0.325 1 1 419 . 14 1 1 A 39 39 ASP H H 39 8.296 8.329 -0.033 1 1 420 . 14 1 1 A 39 39 ASP CA C 39 53.294 52.933 0.361 1 1 421 . 14 1 1 A 39 39 ASP HA H 39 4.558 5.073 -0.515 1 1 422 . 14 1 1 A 39 39 ASP CB C 39 41.847 44.053 -2.206 1 1 425 . 14 1 1 A 39 39 ASP C C 39 175.201 176.343 -1.142 1 1 426 . 14 1 1 A 40 40 GLU N N 40 116.223 124.233 -8.010 1 1 427 . 14 1 1 A 40 40 GLU H H 40 8.564 9.011 -0.447 1 1 428 . 14 1 1 A 40 40 GLU CA C 40 58.748 60.147 -1.399 1 1 429 . 14 1 1 A 40 40 GLU HA H 40 4.088 4.199 -0.111 1 1 430 . 14 1 1 A 40 40 GLU CB C 40 29.696 29.610 0.086 1 1 436 . 14 1 1 A 40 40 GLU C C 40 176.367 178.122 -1.755 1 1 437 . 14 1 1 A 41 41 HIS N N 41 114.612 115.579 -0.967 1 1 438 . 14 1 1 A 41 41 HIS H H 41 8.383 7.832 0.551 1 1 439 . 14 1 1 A 41 41 HIS CA C 41 56.873 57.833 -0.960 1 1 440 . 14 1 1 A 41 41 HIS HA H 41 4.613 4.319 0.294 1 1 441 . 14 1 1 A 41 41 HIS CB C 41 32.910 31.337 1.573 1 1 448 . 14 1 1 A 41 41 HIS C C 41 176.755 174.586 2.169 1 1 449 . 14 1 1 A 42 42 CYS N N 42 122.290 117.398 4.892 1 1 450 . 14 1 1 A 42 42 CYS H H 42 8.337 7.627 0.710 1 1 451 . 14 1 1 A 42 42 CYS CA C 42 58.168 57.265 0.903 1 1 452 . 14 1 1 A 42 42 CYS HA H 42 4.885 4.893 -0.008 1 1 453 . 14 1 1 A 42 42 CYS CB C 42 29.227 29.073 0.154 1 1 456 . 14 1 1 A 42 42 CYS C C 42 172.892 174.101 -1.209 1 1 457 . 14 1 1 A 43 43 TRP N N 43 127.114 125.686 1.428 1 1 458 . 14 1 1 A 43 43 TRP H H 43 8.333 9.197 -0.864 1 1 459 . 14 1 1 A 43 43 TRP CA C 43 53.262 55.732 -2.470 1 1 460 . 14 1 1 A 43 43 TRP HA H 43 5.307 5.230 0.077 1 1 461 . 14 1 1 A 43 43 TRP CB C 43 33.323 32.846 0.477 1 1 476 . 14 1 1 A 43 43 TRP C C 43 173.064 175.355 -2.291 1 1 477 . 14 1 1 A 44 44 VAL N N 44 117.650 120.022 -2.372 1 1 478 . 14 1 1 A 44 44 VAL H H 44 8.591 8.889 -0.298 1 1 479 . 14 1 1 A 44 44 VAL CA C 44 61.801 60.875 0.926 1 1 480 . 14 1 1 A 44 44 VAL HA H 44 4.739 5.051 -0.312 1 1 481 . 14 1 1 A 44 44 VAL CB C 44 32.962 34.567 -1.605 1 1 491 . 14 1 1 A 44 44 VAL C C 44 176.980 175.272 1.708 1 1 492 . 14 1 1 A 45 45 GLY N N 45 115.010 114.929 0.081 1 1 493 . 14 1 1 A 45 45 GLY H H 45 9.469 8.660 0.809 1 1 494 . 14 1 1 A 45 45 GLY CA C 45 45.159 44.970 0.189 1 1 495 . 14 1 1 A 45 45 GLY HA2 H 45 3.769 4.383 -0.614 1 1 496 . 14 1 1 A 45 45 GLY HA3 H 45 5.478 4.596 0.882 1 1 497 . 14 1 1 A 45 45 GLY C C 45 170.022 172.550 -2.528 1 1 498 . 14 1 1 A 46 46 GLU N N 46 118.202 120.572 -2.370 1 1 499 . 14 1 1 A 46 46 GLU H H 46 9.072 8.850 0.222 1 1 500 . 14 1 1 A 46 46 GLU CA C 46 54.226 55.639 -1.413 1 1 501 . 14 1 1 A 46 46 GLU HA H 46 5.720 5.565 0.155 1 1 502 . 14 1 1 A 46 46 GLU CB C 46 34.724 32.741 1.983 1 1 508 . 14 1 1 A 46 46 GLU C C 46 174.843 174.470 0.373 1 1 509 . 14 1 1 A 47 47 LEU N N 47 125.182 126.737 -1.555 1 1 510 . 14 1 1 A 47 47 LEU H H 47 8.880 8.880 0.000 1 1 511 . 14 1 1 A 47 47 LEU CA C 47 55.064 54.091 0.973 1 1 512 . 14 1 1 A 47 47 LEU HA H 47 4.711 4.596 0.115 1 1 513 . 14 1 1 A 47 47 LEU CB C 47 45.900 45.129 0.771 1 1 526 . 14 1 1 A 47 47 LEU C C 47 176.130 175.312 0.818 1 1 527 . 14 1 1 A 48 48 ASN N N 48 127.515 124.870 2.645 1 1 528 . 14 1 1 A 48 48 ASN H H 48 9.796 9.346 0.450 1 1 529 . 14 1 1 A 48 48 ASN CA C 48 54.407 54.514 -0.107 1 1 530 . 14 1 1 A 48 48 ASN HA H 48 4.457 4.485 -0.028 1 1 531 . 14 1 1 A 48 48 ASN CB C 48 37.546 37.190 0.356 1 1 537 . 14 1 1 A 48 48 ASN C C 48 174.935 175.634 -0.699 1 1 538 . 14 1 1 A 49 49 GLY N N 49 104.068 105.096 -1.028 1 1 539 . 14 1 1 A 49 49 GLY H H 49 8.891 8.787 0.104 1 1 540 . 14 1 1 A 49 49 GLY CA C 49 45.471 45.977 -0.506 1 1 541 . 14 1 1 A 49 49 GLY HA2 H 49 3.621 3.934 -0.313 1 1 542 . 14 1 1 A 49 49 GLY HA3 H 49 4.230 3.937 0.293 1 1 543 . 14 1 1 A 49 49 GLY C C 49 173.671 173.793 -0.122 1 1 544 . 14 1 1 A 50 50 LEU N N 50 122.996 121.198 1.798 1 1 545 . 14 1 1 A 50 50 LEU H H 50 7.818 7.910 -0.092 1 1 546 . 14 1 1 A 50 50 LEU CA C 50 53.971 53.267 0.704 1 1 547 . 14 1 1 A 50 50 LEU HA H 50 4.727 4.835 -0.108 1 1 548 . 14 1 1 A 50 50 LEU CB C 50 43.482 44.456 -0.974 1 1 561 . 14 1 1 A 50 50 LEU C C 50 174.930 175.749 -0.819 1 1 562 . 14 1 1 A 51 51 ARG N N 51 119.072 123.019 -3.947 1 1 563 . 14 1 1 A 51 51 ARG H H 51 8.410 8.868 -0.458 1 1 564 . 14 1 1 A 51 51 ARG CA C 51 54.020 54.653 -0.633 1 1 565 . 14 1 1 A 51 51 ARG HA H 51 5.843 5.412 0.431 1 1 566 . 14 1 1 A 51 51 ARG CB C 51 34.724 33.251 1.473 1 1 575 . 14 1 1 A 51 51 ARG C C 51 176.707 175.520 1.187 1 1 576 . 14 1 1 A 52 52 GLY N N 52 109.058 112.336 -3.278 1 1 577 . 14 1 1 A 52 52 GLY H H 52 8.661 8.740 -0.079 1 1 578 . 14 1 1 A 52 52 GLY CA C 52 45.683 45.835 -0.152 1 1 579 . 14 1 1 A 52 52 GLY HA2 H 52 3.975 4.434 -0.459 1 1 580 . 14 1 1 A 52 52 GLY HA3 H 52 4.248 4.458 -0.210 1 1 581 . 14 1 1 A 52 52 GLY C C 52 171.261 172.690 -1.429 1 1 582 . 14 1 1 A 53 53 TRP N N 53 119.558 118.010 1.548 1 1 583 . 14 1 1 A 53 53 TRP H H 53 8.825 8.886 -0.061 1 1 584 . 14 1 1 A 53 53 TRP CA C 53 55.402 55.086 0.316 1 1 585 . 14 1 1 A 53 53 TRP HA H 53 6.222 5.842 0.380 1 1 586 . 14 1 1 A 53 53 TRP CB C 53 31.856 32.597 -0.741 1 1 601 . 14 1 1 A 53 53 TRP C C 53 176.100 175.248 0.852 1 1 602 . 14 1 1 A 54 54 PHE N N 54 115.426 115.796 -0.370 1 1 603 . 14 1 1 A 54 54 PHE H H 54 8.976 8.975 0.001 1 1 604 . 14 1 1 A 54 54 PHE CA C 54 55.805 55.712 0.093 1 1 605 . 14 1 1 A 54 54 PHE HA H 54 4.833 4.501 0.332 1 1 606 . 14 1 1 A 54 54 PHE CB C 54 39.295 39.500 -0.205 1 1 619 . 14 1 1 A 54 54 PHE C C 54 171.898 171.958 -0.060 1 1 620 . 14 1 1 A 55 55 PRO CA C 55 61.963 62.784 -0.821 1 1 621 . 14 1 1 A 55 55 PRO HA H 55 4.654 5.096 -0.442 1 1 622 . 14 1 1 A 55 55 PRO CB C 55 31.179 31.667 -0.488 1 1 631 . 14 1 1 A 55 55 PRO C C 55 177.168 177.957 -0.789 1 1 632 . 14 1 1 A 56 56 ALA N N 56 130.132 128.331 1.801 1 1 633 . 14 1 1 A 56 56 ALA H H 56 7.818 8.382 -0.564 1 1 634 . 14 1 1 A 56 56 ALA CA C 56 55.045 54.910 0.135 1 1 635 . 14 1 1 A 56 56 ALA HA H 56 3.032 4.055 -1.023 1 1 636 . 14 1 1 A 56 56 ALA CB C 56 16.542 17.068 -0.526 1 1 640 . 14 1 1 A 56 56 ALA C C 56 178.595 179.894 -1.299 1 1 641 . 14 1 1 A 57 57 LYS N N 57 110.974 116.306 -5.332 1 1 642 . 14 1 1 A 57 57 LYS H H 57 8.024 7.986 0.038 1 1 643 . 14 1 1 A 57 57 LYS CA C 57 57.118 58.674 -1.556 1 1 644 . 14 1 1 A 57 57 LYS HA H 57 4.213 4.053 0.160 1 1 645 . 14 1 1 A 57 57 LYS CB C 57 31.641 31.825 -0.184 1 1 657 . 14 1 1 A 57 57 LYS C C 57 177.053 177.943 -0.890 1 1 658 . 14 1 1 A 58 58 PHE N N 58 118.768 117.946 0.822 1 1 659 . 14 1 1 A 58 58 PHE H H 58 7.911 7.871 0.040 1 1 660 . 14 1 1 A 58 58 PHE CA C 58 56.933 59.135 -2.202 1 1 661 . 14 1 1 A 58 58 PHE HA H 58 4.739 4.427 0.312 1 1 662 . 14 1 1 A 58 58 PHE CB C 58 38.643 39.601 -0.958 1 1 675 . 14 1 1 A 58 58 PHE C C 58 174.837 175.907 -1.070 1 1 676 . 14 1 1 A 59 59 VAL N N 59 109.843 113.590 -3.747 1 1 677 . 14 1 1 A 59 59 VAL H H 59 7.796 7.688 0.108 1 1 678 . 14 1 1 A 59 59 VAL CA C 59 58.332 59.319 -0.987 1 1 679 . 14 1 1 A 59 59 VAL HA H 59 5.333 4.992 0.341 1 1 680 . 14 1 1 A 59 59 VAL CB C 59 35.704 35.261 0.443 1 1 690 . 14 1 1 A 59 59 VAL C C 59 173.452 173.989 -0.537 1 1 691 . 14 1 1 A 60 60 GLU N N 60 119.932 120.989 -1.057 1 1 692 . 14 1 1 A 60 60 GLU H H 60 8.699 9.133 -0.434 1 1 693 . 14 1 1 A 60 60 GLU CA C 60 54.202 54.561 -0.359 1 1 694 . 14 1 1 A 60 60 GLU HA H 60 4.863 5.175 -0.312 1 1 695 . 14 1 1 A 60 60 GLU CB C 60 33.573 33.363 0.210 1 1 701 . 14 1 1 A 60 60 GLU C C 60 176.100 175.721 0.379 1 1 702 . 14 1 1 A 61 61 VAL N N 61 127.661 127.109 0.552 1 1 703 . 14 1 1 A 61 61 VAL H H 61 9.107 8.700 0.407 1 1 704 . 14 1 1 A 61 61 VAL CA C 61 64.612 62.780 1.832 1 1 705 . 14 1 1 A 61 61 VAL HA H 61 3.957 4.452 -0.495 1 1 706 . 14 1 1 A 61 61 VAL CB C 61 31.875 32.315 -0.440 1 1 716 . 14 1 1 A 61 61 VAL C C 61 176.294 175.341 0.953 1 1 717 . 14 1 1 A 62 62 LEU N N 62 128.512 126.272 2.240 1 1 718 . 14 1 1 A 62 62 LEU H H 62 8.777 8.214 0.563 1 1 719 . 14 1 1 A 62 62 LEU CA C 62 54.677 53.259 1.418 1 1 720 . 14 1 1 A 62 62 LEU HA H 62 4.456 4.997 -0.541 1 1 721 . 14 1 1 A 62 62 LEU CB C 62 42.548 45.210 -2.662 1 1 734 . 14 1 1 A 62 62 LEU C C 62 176.888 175.528 1.360 1 1 735 . 14 1 1 A 63 63 ASP N N 63 122.605 125.583 -2.978 1 1 736 . 14 1 1 A 63 63 ASP H H 63 8.588 9.042 -0.454 1 1 737 . 14 1 1 A 63 63 ASP CA C 63 53.971 53.086 0.885 1 1 738 . 14 1 1 A 63 63 ASP HA H 63 4.643 5.369 -0.726 1 1 739 . 14 1 1 A 63 63 ASP CB C 63 41.629 42.347 -0.718 1 1 742 . 14 1 1 A 63 63 ASP C C 63 176.460 175.660 0.800 1 1 743 . 14 1 1 A 64 64 GLU N N 64 122.614 122.946 -0.332 1 1 744 . 14 1 1 A 64 64 GLU H H 64 8.634 8.840 -0.206 1 1 745 . 14 1 1 A 64 64 GLU CA C 64 57.086 55.114 1.972 1 1 746 . 14 1 1 A 64 64 GLU HA H 64 4.158 4.815 -0.657 1 1 747 . 14 1 1 A 64 64 GLU CB C 64 30.055 30.393 -0.338 1 1 753 . 14 1 1 A 64 64 GLU C C 64 176.801 175.186 1.615 1 1 754 . 14 1 1 A 65 65 ARG N N 65 120.526 125.105 -4.579 1 1 755 . 14 1 1 A 65 65 ARG H H 65 8.416 8.811 -0.395 1 1 756 . 14 1 1 A 65 65 ARG CA C 65 56.430 55.995 0.435 1 1 757 . 14 1 1 A 65 65 ARG HA H 65 4.323 4.821 -0.498 1 1 758 . 14 1 1 A 65 65 ARG CB C 65 30.493 31.514 -1.021 1 1 767 . 14 1 1 A 65 65 ARG C C 65 176.896 175.365 1.531 1 1 768 . 14 1 1 A 66 66 SER N N 66 116.214 117.018 -0.804 1 1 769 . 14 1 1 A 66 66 SER H H 66 8.225 8.761 -0.536 1 1 770 . 14 1 1 A 66 66 SER CA C 66 58.732 57.791 0.941 1 1 771 . 14 1 1 A 66 66 SER HA H 66 4.799 5.126 -0.327 1 1 772 . 14 1 1 A 66 66 SER CB C 66 63.879 65.308 -1.429 1 1 775 . 14 1 1 A 66 66 SER C C 66 175.225 172.432 2.793 1 1 776 . 14 1 1 A 67 67 LYS CA C 67 56.993 55.209 1.784 1 1 777 . 14 1 1 A 67 67 LYS HA H 67 4.270 4.775 -0.505 1 1 778 . 14 1 1 A 67 67 LYS CB C 67 32.724 36.793 -4.069 1 1 790 . 14 1 1 A 68 68 GLU N N 68 120.561 122.922 -2.361 1 1 791 . 14 1 1 A 68 68 GLU H H 68 8.417 8.789 -0.372 1 1 792 . 14 1 1 A 68 68 GLU CA C 68 57.144 56.375 0.769 1 1 793 . 14 1 1 A 68 68 GLU HA H 68 4.193 4.463 -0.270 1 1 794 . 14 1 1 A 68 68 GLU CB C 68 30.025 28.401 1.624 1 1 800 . 14 1 1 A 68 68 GLU C C 68 176.828 174.447 2.381 1 1 801 . 14 1 1 A 69 69 TYR N N 69 120.399 120.087 0.312 1 1 802 . 14 1 1 A 69 69 TYR H H 69 8.027 7.873 0.154 1 1 803 . 14 1 1 A 69 69 TYR CA C 69 58.296 56.672 1.624 1 1 804 . 14 1 1 A 69 69 TYR HA H 69 4.504 5.078 -0.574 1 1 805 . 14 1 1 A 69 69 TYR CB C 69 38.965 40.711 -1.746 1 1 816 . 14 1 1 A 69 69 TYR C C 69 176.367 174.193 2.174 1 1 817 . 14 1 1 A 70 70 SER N N 70 117.031 120.586 -3.555 1 1 818 . 14 1 1 A 70 70 SER H H 70 8.067 8.867 -0.800 1 1 819 . 14 1 1 A 70 70 SER CA C 70 58.167 56.438 1.729 1 1 820 . 14 1 1 A 70 70 SER HA H 70 4.441 5.052 -0.611 1 1 821 . 14 1 1 A 70 70 SER CB C 70 63.911 64.637 -0.726 1 1 824 . 14 1 1 A 70 70 SER C C 70 174.448 173.799 0.649 1 1 825 . 14 1 1 A 71 71 ILE N N 71 122.402 122.422 -0.020 1 1 826 . 14 1 1 A 71 71 ILE H H 71 8.083 8.452 -0.369 1 1 827 . 14 1 1 A 71 71 ILE CA C 71 61.411 61.804 -0.393 1 1 828 . 14 1 1 A 71 71 ILE HA H 71 4.161 4.041 0.120 1 1 829 . 14 1 1 A 71 71 ILE CB C 71 38.779 38.581 0.198 1 1 842 . 14 1 1 A 71 71 ILE C C 71 176.172 176.037 0.135 1 1 843 . 14 1 1 A 72 72 ALA N N 72 127.574 126.598 0.976 1 1 844 . 14 1 1 A 72 72 ALA H H 72 8.306 8.531 -0.225 1 1 845 . 14 1 1 A 72 72 ALA CA C 72 52.631 50.263 2.368 1 1 846 . 14 1 1 A 72 72 ALA HA H 72 4.366 4.988 -0.622 1 1 847 . 14 1 1 A 72 72 ALA CB C 72 19.242 22.586 -3.344 1 1 851 . 14 1 1 A 72 72 ALA C C 72 177.702 176.404 1.298 1 1 852 . 14 1 1 A 73 73 SER N N 73 115.199 116.476 -1.277 1 1 853 . 14 1 1 A 73 73 SER H H 73 8.223 8.654 -0.431 1 1 854 . 14 1 1 A 73 73 SER CA C 73 58.285 59.360 -1.075 1 1 855 . 14 1 1 A 73 73 SER HA H 73 4.471 4.278 0.193 1 1 856 . 14 1 1 A 73 73 SER CB C 73 64.233 63.076 1.157 1 1 859 . 14 1 1 A 73 73 SER C C 73 174.639 174.514 0.125 1 1 860 . 14 1 1 A 74 74 GLY N N 74 110.616 109.913 0.703 1 1 861 . 14 1 1 A 74 74 GLY H H 74 8.185 8.488 -0.303 1 1 862 . 14 1 1 A 74 74 GLY CA C 74 44.677 45.694 -1.017 1 1 863 . 14 1 1 A 74 74 GLY HA2 H 74 4.171 4.137 0.034 1 1 864 . 14 1 1 A 74 74 GLY HA3 H 74 4.107 4.138 -0.031 1 1 865 . 14 1 1 A 74 74 GLY C C 74 171.850 174.362 -2.512 1 1 866 . 14 1 1 A 75 75 PRO CA C 75 63.266 64.546 -1.280 1 1 867 . 14 1 1 A 75 75 PRO HA H 75 4.487 4.410 0.077 1 1 868 . 14 1 1 A 75 75 PRO CB C 75 32.196 31.823 0.373 1 1 877 . 14 1 1 A 76 76 SER N N 76 116.439 110.610 5.829 1 1 878 . 14 1 1 A 76 76 SER H H 76 8.562 8.070 0.492 1 1 879 . 14 1 1 A 76 76 SER CA C 76 58.747 57.244 1.503 1 1 880 . 14 1 1 A 76 76 SER CB C 76 64.105 64.796 -0.691 1 1 1 . 15 1 1 A 6 6 SER CA C 6 58.690 57.396 1.294 1 1 2 . 15 1 1 A 6 6 SER HA H 6 4.411 5.005 -0.594 1 1 3 . 15 1 1 A 7 7 GLY N N 7 110.826 110.678 0.148 1 1 4 . 15 1 1 A 7 7 GLY H H 7 8.436 8.560 -0.124 1 1 5 . 15 1 1 A 7 7 GLY CA C 7 45.315 44.733 0.582 1 1 6 . 15 1 1 A 7 7 GLY HA2 H 7 4.029 4.475 -0.446 1 1 7 . 15 1 1 A 7 7 GLY HA3 H 7 3.918 4.489 -0.571 1 1 8 . 15 1 1 A 7 7 GLY C C 7 173.788 172.305 1.483 1 1 9 . 15 1 1 A 8 8 ARG N N 8 120.458 120.589 -0.131 1 1 10 . 15 1 1 A 8 8 ARG H H 8 8.272 8.680 -0.408 1 1 11 . 15 1 1 A 8 8 ARG CA C 8 55.715 54.218 1.497 1 1 12 . 15 1 1 A 8 8 ARG HA H 8 4.500 4.989 -0.489 1 1 13 . 15 1 1 A 8 8 ARG CB C 8 31.541 33.601 -2.060 1 1 22 . 15 1 1 A 8 8 ARG C C 8 175.201 174.184 1.017 1 1 23 . 15 1 1 A 9 9 ARG N N 9 121.537 121.866 -0.329 1 1 24 . 15 1 1 A 9 9 ARG H H 9 8.879 8.548 0.331 1 1 25 . 15 1 1 A 9 9 ARG CA C 9 54.737 54.262 0.475 1 1 26 . 15 1 1 A 9 9 ARG HA H 9 5.288 5.353 -0.065 1 1 27 . 15 1 1 A 9 9 ARG CB C 9 34.064 33.935 0.129 1 1 36 . 15 1 1 A 9 9 ARG C C 9 174.910 174.233 0.677 1 1 37 . 15 1 1 A 10 10 ALA N N 10 122.000 125.438 -3.438 1 1 38 . 15 1 1 A 10 10 ALA H H 10 9.200 8.860 0.340 1 1 39 . 15 1 1 A 10 10 ALA CA C 10 50.229 50.120 0.109 1 1 40 . 15 1 1 A 10 10 ALA HA H 10 5.143 5.629 -0.486 1 1 41 . 15 1 1 A 10 10 ALA CB C 10 23.552 21.769 1.783 1 1 45 . 15 1 1 A 10 10 ALA C C 10 173.920 175.171 -1.251 1 1 46 . 15 1 1 A 11 11 LYS N N 11 121.984 123.977 -1.993 1 1 47 . 15 1 1 A 11 11 LYS H H 11 8.962 8.857 0.105 1 1 48 . 15 1 1 A 11 11 LYS CA C 11 53.936 55.759 -1.823 1 1 49 . 15 1 1 A 11 11 LYS HA H 11 5.043 4.694 0.349 1 1 50 . 15 1 1 A 11 11 LYS CB C 11 35.705 33.719 1.986 1 1 62 . 15 1 1 A 11 11 LYS C C 11 176.193 176.799 -0.606 1 1 63 . 15 1 1 A 12 12 ALA N N 12 128.384 128.791 -0.407 1 1 64 . 15 1 1 A 12 12 ALA H H 12 8.974 9.032 -0.058 1 1 65 . 15 1 1 A 12 12 ALA CA C 12 52.878 52.679 0.199 1 1 66 . 15 1 1 A 12 12 ALA HA H 12 4.271 4.287 -0.016 1 1 67 . 15 1 1 A 12 12 ALA CB C 12 21.024 18.979 2.045 1 1 71 . 15 1 1 A 12 12 ALA C C 12 179.524 177.485 2.039 1 1 72 . 15 1 1 A 13 13 LEU N N 13 126.125 124.978 1.147 1 1 73 . 15 1 1 A 13 13 LEU H H 13 9.490 9.231 0.259 1 1 74 . 15 1 1 A 13 13 LEU CA C 13 55.697 56.055 -0.358 1 1 75 . 15 1 1 A 13 13 LEU HA H 13 4.258 4.382 -0.124 1 1 76 . 15 1 1 A 13 13 LEU CB C 13 43.073 42.751 0.322 1 1 89 . 15 1 1 A 13 13 LEU C C 13 175.705 176.926 -1.221 1 1 90 . 15 1 1 A 14 14 LEU N N 14 116.229 113.667 2.562 1 1 91 . 15 1 1 A 14 14 LEU H H 14 7.638 7.649 -0.011 1 1 92 . 15 1 1 A 14 14 LEU CA C 14 53.715 53.516 0.199 1 1 93 . 15 1 1 A 14 14 LEU HA H 14 4.436 4.745 -0.309 1 1 94 . 15 1 1 A 14 14 LEU CB C 14 45.286 43.946 1.340 1 1 107 . 15 1 1 A 14 14 LEU C C 14 173.987 175.333 -1.346 1 1 108 . 15 1 1 A 15 15 ASP N N 15 116.528 120.163 -3.635 1 1 109 . 15 1 1 A 15 15 ASP H H 15 8.047 8.582 -0.535 1 1 110 . 15 1 1 A 15 15 ASP CA C 15 54.712 53.619 1.093 1 1 111 . 15 1 1 A 15 15 ASP HA H 15 4.628 4.891 -0.263 1 1 112 . 15 1 1 A 15 15 ASP CB C 15 41.437 41.394 0.043 1 1 115 . 15 1 1 A 16 16 PHE N N 16 123.405 125.497 -2.092 1 1 116 . 15 1 1 A 16 16 PHE H H 16 8.414 9.014 -0.600 1 1 117 . 15 1 1 A 16 16 PHE CA C 16 56.555 55.627 0.928 1 1 118 . 15 1 1 A 16 16 PHE HA H 16 4.576 4.998 -0.422 1 1 119 . 15 1 1 A 16 16 PHE CB C 16 41.647 40.123 1.524 1 1 132 . 15 1 1 A 17 17 GLU N N 17 127.173 125.415 1.758 1 1 133 . 15 1 1 A 17 17 GLU H H 17 7.775 8.431 -0.656 1 1 134 . 15 1 1 A 17 17 GLU CA C 17 54.469 55.258 -0.789 1 1 135 . 15 1 1 A 17 17 GLU HA H 17 4.025 4.315 -0.290 1 1 136 . 15 1 1 A 17 17 GLU CB C 17 30.119 29.906 0.213 1 1 142 . 15 1 1 A 17 17 GLU C C 17 174.327 175.471 -1.144 1 1 143 . 15 1 1 A 18 18 ARG N N 18 123.112 125.399 -2.287 1 1 144 . 15 1 1 A 18 18 ARG H H 18 7.721 8.173 -0.452 1 1 145 . 15 1 1 A 18 18 ARG CA C 18 55.738 56.077 -0.339 1 1 146 . 15 1 1 A 18 18 ARG HA H 18 3.665 3.850 -0.185 1 1 147 . 15 1 1 A 18 18 ARG CB C 18 30.846 30.637 0.209 1 1 156 . 15 1 1 A 18 18 ARG C C 18 175.954 176.557 -0.603 1 1 157 . 15 1 1 A 19 19 HIS N N 19 121.992 121.124 0.868 1 1 158 . 15 1 1 A 19 19 HIS H H 19 9.200 8.330 0.870 1 1 159 . 15 1 1 A 19 19 HIS CA C 19 56.774 59.392 -2.618 1 1 160 . 15 1 1 A 19 19 HIS HA H 19 4.612 4.225 0.387 1 1 161 . 15 1 1 A 19 19 HIS CB C 19 30.061 30.424 -0.363 1 1 168 . 15 1 1 A 19 19 HIS C C 19 174.151 174.758 -0.607 1 1 169 . 15 1 1 A 20 20 ASP N N 20 119.946 116.922 3.024 1 1 170 . 15 1 1 A 20 20 ASP H H 20 8.160 7.993 0.167 1 1 171 . 15 1 1 A 20 20 ASP CA C 20 53.371 53.420 -0.049 1 1 172 . 15 1 1 A 20 20 ASP HA H 20 4.785 4.683 0.102 1 1 173 . 15 1 1 A 20 20 ASP CB C 20 43.492 42.119 1.373 1 1 176 . 15 1 1 A 20 20 ASP C C 20 176.571 176.315 0.256 1 1 177 . 15 1 1 A 21 21 ASP N N 21 119.329 124.821 -5.492 1 1 178 . 15 1 1 A 21 21 ASP H H 21 8.686 9.070 -0.384 1 1 179 . 15 1 1 A 21 21 ASP CA C 21 56.641 58.022 -1.381 1 1 180 . 15 1 1 A 21 21 ASP HA H 21 4.439 4.230 0.209 1 1 181 . 15 1 1 A 21 21 ASP CB C 21 40.977 40.738 0.239 1 1 184 . 15 1 1 A 21 21 ASP C C 21 176.619 177.597 -0.978 1 1 185 . 15 1 1 A 22 22 ASP N N 22 116.501 118.033 -1.532 1 1 186 . 15 1 1 A 22 22 ASP H H 22 8.702 8.040 0.662 1 1 187 . 15 1 1 A 22 22 ASP CA C 22 54.535 57.315 -2.780 1 1 188 . 15 1 1 A 22 22 ASP HA H 22 4.769 4.621 0.148 1 1 189 . 15 1 1 A 22 22 ASP CB C 22 40.833 40.708 0.125 1 1 192 . 15 1 1 A 22 22 ASP C C 22 176.139 177.514 -1.375 1 1 193 . 15 1 1 A 23 23 GLU N N 23 119.696 118.799 0.897 1 1 194 . 15 1 1 A 23 23 GLU H H 23 7.540 8.049 -0.509 1 1 195 . 15 1 1 A 23 23 GLU CA C 23 55.398 57.746 -2.348 1 1 196 . 15 1 1 A 23 23 GLU HA H 23 4.519 4.206 0.313 1 1 197 . 15 1 1 A 23 23 GLU CB C 23 32.584 30.025 2.559 1 1 203 . 15 1 1 A 23 23 GLU C C 23 175.760 175.979 -0.219 1 1 204 . 15 1 1 A 24 24 LEU N N 24 125.257 126.478 -1.221 1 1 205 . 15 1 1 A 24 24 LEU H H 24 8.766 8.957 -0.191 1 1 206 . 15 1 1 A 24 24 LEU CA C 24 53.525 53.962 -0.437 1 1 207 . 15 1 1 A 24 24 LEU HA H 24 4.410 5.041 -0.631 1 1 208 . 15 1 1 A 24 24 LEU CB C 24 44.685 44.275 0.410 1 1 221 . 15 1 1 A 24 24 LEU C C 24 173.987 176.732 -2.745 1 1 222 . 15 1 1 A 25 25 GLY N N 25 107.345 114.295 -6.950 1 1 223 . 15 1 1 A 25 25 GLY H H 25 7.584 8.906 -1.322 1 1 224 . 15 1 1 A 25 25 GLY CA C 25 44.096 44.468 -0.372 1 1 225 . 15 1 1 A 25 25 GLY HA2 H 25 3.361 3.757 -0.396 1 1 226 . 15 1 1 A 25 25 GLY HA3 H 25 4.260 3.858 0.402 1 1 227 . 15 1 1 A 25 25 GLY C C 25 173.720 173.029 0.691 1 1 228 . 15 1 1 A 26 26 PHE N N 26 114.043 115.561 -1.518 1 1 229 . 15 1 1 A 26 26 PHE H H 26 8.330 8.519 -0.189 1 1 230 . 15 1 1 A 26 26 PHE CA C 26 56.440 56.655 -0.215 1 1 231 . 15 1 1 A 26 26 PHE HA H 26 4.749 5.080 -0.331 1 1 232 . 15 1 1 A 26 26 PHE CB C 26 40.494 40.166 0.328 1 1 245 . 15 1 1 A 26 26 PHE C C 26 174.820 172.394 2.426 1 1 246 . 15 1 1 A 27 27 ARG N N 27 120.928 120.234 0.694 1 1 247 . 15 1 1 A 27 27 ARG H H 27 9.597 8.554 1.043 1 1 248 . 15 1 1 A 27 27 ARG CA C 27 53.054 54.863 -1.809 1 1 249 . 15 1 1 A 27 27 ARG HA H 27 4.974 4.740 0.234 1 1 250 . 15 1 1 A 27 27 ARG CB C 27 32.687 31.845 0.842 1 1 259 . 15 1 1 A 27 27 ARG C C 27 175.511 175.971 -0.460 1 1 260 . 15 1 1 A 28 28 LYS N N 28 120.682 122.103 -1.421 1 1 261 . 15 1 1 A 28 28 LYS H H 28 8.922 8.545 0.377 1 1 262 . 15 1 1 A 28 28 LYS CA C 28 59.064 57.539 1.525 1 1 263 . 15 1 1 A 28 28 LYS HA H 28 3.220 4.049 -0.829 1 1 264 . 15 1 1 A 28 28 LYS CB C 28 32.826 32.582 0.244 1 1 276 . 15 1 1 A 28 28 LYS C C 28 177.019 177.253 -0.234 1 1 277 . 15 1 1 A 29 29 ASN N N 29 117.470 119.090 -1.620 1 1 278 . 15 1 1 A 29 29 ASN H H 29 8.728 9.280 -0.552 1 1 279 . 15 1 1 A 29 29 ASN CA C 29 56.477 54.209 2.268 1 1 280 . 15 1 1 A 29 29 ASN HA H 29 4.148 4.606 -0.458 1 1 281 . 15 1 1 A 29 29 ASN CB C 29 37.170 37.440 -0.270 1 1 287 . 15 1 1 A 29 29 ASN C C 29 174.716 173.673 1.043 1 1 288 . 15 1 1 A 30 30 ASP N N 30 122.549 117.055 5.494 1 1 289 . 15 1 1 A 30 30 ASP H H 30 8.527 7.880 0.647 1 1 290 . 15 1 1 A 30 30 ASP CA C 30 56.167 52.901 3.266 1 1 291 . 15 1 1 A 30 30 ASP HA H 30 4.596 5.130 -0.534 1 1 292 . 15 1 1 A 30 30 ASP CB C 30 41.797 42.503 -0.706 1 1 295 . 15 1 1 A 30 30 ASP C C 30 175.177 175.589 -0.412 1 1 296 . 15 1 1 A 31 31 ILE N N 31 119.187 123.234 -4.047 1 1 297 . 15 1 1 A 31 31 ILE H H 31 8.267 8.569 -0.302 1 1 298 . 15 1 1 A 31 31 ILE CA C 31 59.191 60.669 -1.478 1 1 299 . 15 1 1 A 31 31 ILE HA H 31 4.819 4.453 0.366 1 1 300 . 15 1 1 A 31 31 ILE CB C 31 36.702 38.074 -1.372 1 1 313 . 15 1 1 A 31 31 ILE C C 31 175.437 175.005 0.432 1 1 314 . 15 1 1 A 32 32 ILE N N 32 129.566 127.671 1.895 1 1 315 . 15 1 1 A 32 32 ILE H H 32 9.247 8.391 0.856 1 1 316 . 15 1 1 A 32 32 ILE CA C 32 60.211 59.711 0.500 1 1 317 . 15 1 1 A 32 32 ILE HA H 32 4.140 4.695 -0.555 1 1 318 . 15 1 1 A 32 32 ILE CB C 32 41.978 41.951 0.027 1 1 331 . 15 1 1 A 32 32 ILE C C 32 176.197 175.052 1.145 1 1 332 . 15 1 1 A 33 33 THR N N 33 123.061 122.683 0.378 1 1 333 . 15 1 1 A 33 33 THR H H 33 8.741 8.387 0.354 1 1 334 . 15 1 1 A 33 33 THR CA C 33 63.117 62.817 0.300 1 1 335 . 15 1 1 A 33 33 THR HA H 33 4.583 4.546 0.037 1 1 336 . 15 1 1 A 33 33 THR CB C 33 69.626 69.581 0.045 1 1 342 . 15 1 1 A 33 33 THR C C 33 174.011 174.175 -0.164 1 1 343 . 15 1 1 A 34 34 ILE N N 34 128.281 126.281 2.000 1 1 344 . 15 1 1 A 34 34 ILE H H 34 9.110 9.266 -0.156 1 1 345 . 15 1 1 A 34 34 ILE CA C 34 61.566 60.704 0.862 1 1 346 . 15 1 1 A 34 34 ILE HA H 34 4.117 4.531 -0.414 1 1 347 . 15 1 1 A 34 34 ILE CB C 34 36.785 37.531 -0.746 1 1 360 . 15 1 1 A 34 34 ILE C C 34 175.420 175.477 -0.057 1 1 361 . 15 1 1 A 35 35 ILE N N 35 128.859 129.823 -0.964 1 1 362 . 15 1 1 A 35 35 ILE H H 35 9.359 8.880 0.479 1 1 363 . 15 1 1 A 35 35 ILE CA C 35 60.949 63.235 -2.286 1 1 364 . 15 1 1 A 35 35 ILE HA H 35 4.224 4.051 0.173 1 1 365 . 15 1 1 A 35 35 ILE CB C 35 38.186 38.446 -0.260 1 1 378 . 15 1 1 A 35 35 ILE C C 35 176.253 176.043 0.210 1 1 379 . 15 1 1 A 36 36 SER N N 36 111.665 112.881 -1.216 1 1 380 . 15 1 1 A 36 36 SER H H 36 7.882 7.728 0.154 1 1 381 . 15 1 1 A 36 36 SER CA C 36 57.605 56.799 0.806 1 1 382 . 15 1 1 A 36 36 SER HA H 36 4.525 4.704 -0.179 1 1 383 . 15 1 1 A 36 36 SER CB C 36 64.435 65.779 -1.344 1 1 386 . 15 1 1 A 36 36 SER C C 36 172.845 172.351 0.494 1 1 387 . 15 1 1 A 37 37 GLN N N 37 116.906 122.955 -6.049 1 1 388 . 15 1 1 A 37 37 GLN H H 37 8.055 8.644 -0.589 1 1 389 . 15 1 1 A 37 37 GLN CA C 37 54.718 54.532 0.186 1 1 390 . 15 1 1 A 37 37 GLN HA H 37 4.420 4.924 -0.504 1 1 391 . 15 1 1 A 37 37 GLN CB C 37 29.381 30.654 -1.273 1 1 400 . 15 1 1 A 37 37 GLN C C 37 175.080 175.218 -0.138 1 1 401 . 15 1 1 A 38 38 LYS N N 38 124.909 124.082 0.827 1 1 402 . 15 1 1 A 38 38 LYS H H 38 8.046 8.681 -0.635 1 1 403 . 15 1 1 A 38 38 LYS CA C 38 58.998 57.834 1.164 1 1 404 . 15 1 1 A 38 38 LYS HA H 38 4.076 4.378 -0.302 1 1 405 . 15 1 1 A 38 38 LYS CB C 38 33.116 32.817 0.299 1 1 417 . 15 1 1 A 38 38 LYS C C 38 176.508 176.077 0.431 1 1 418 . 15 1 1 A 39 39 ASP N N 39 117.133 116.898 0.235 1 1 419 . 15 1 1 A 39 39 ASP H H 39 8.296 8.442 -0.146 1 1 420 . 15 1 1 A 39 39 ASP CA C 39 53.294 52.399 0.895 1 1 421 . 15 1 1 A 39 39 ASP HA H 39 4.558 5.062 -0.504 1 1 422 . 15 1 1 A 39 39 ASP CB C 39 41.847 43.769 -1.922 1 1 425 . 15 1 1 A 39 39 ASP C C 39 175.201 175.832 -0.631 1 1 426 . 15 1 1 A 40 40 GLU N N 40 116.223 122.662 -6.439 1 1 427 . 15 1 1 A 40 40 GLU H H 40 8.564 8.763 -0.199 1 1 428 . 15 1 1 A 40 40 GLU CA C 40 58.748 59.919 -1.171 1 1 429 . 15 1 1 A 40 40 GLU HA H 40 4.088 4.060 0.028 1 1 430 . 15 1 1 A 40 40 GLU CB C 40 29.696 29.370 0.326 1 1 436 . 15 1 1 A 40 40 GLU C C 40 176.367 177.507 -1.140 1 1 437 . 15 1 1 A 41 41 HIS N N 41 114.612 113.133 1.479 1 1 438 . 15 1 1 A 41 41 HIS H H 41 8.383 7.788 0.595 1 1 439 . 15 1 1 A 41 41 HIS CA C 41 56.873 54.870 2.003 1 1 440 . 15 1 1 A 41 41 HIS HA H 41 4.613 4.487 0.126 1 1 441 . 15 1 1 A 41 41 HIS CB C 41 32.910 29.248 3.662 1 1 448 . 15 1 1 A 41 41 HIS C C 41 176.755 173.956 2.799 1 1 449 . 15 1 1 A 42 42 CYS N N 42 122.290 117.189 5.101 1 1 450 . 15 1 1 A 42 42 CYS H H 42 8.337 7.449 0.888 1 1 451 . 15 1 1 A 42 42 CYS CA C 42 58.168 58.788 -0.620 1 1 452 . 15 1 1 A 42 42 CYS HA H 42 4.885 5.093 -0.208 1 1 453 . 15 1 1 A 42 42 CYS CB C 42 29.227 30.214 -0.987 1 1 456 . 15 1 1 A 42 42 CYS C C 42 172.892 173.244 -0.352 1 1 457 . 15 1 1 A 43 43 TRP N N 43 127.114 125.118 1.996 1 1 458 . 15 1 1 A 43 43 TRP H H 43 8.333 8.862 -0.529 1 1 459 . 15 1 1 A 43 43 TRP CA C 43 53.262 55.866 -2.604 1 1 460 . 15 1 1 A 43 43 TRP HA H 43 5.307 5.238 0.069 1 1 461 . 15 1 1 A 43 43 TRP CB C 43 33.323 32.348 0.975 1 1 476 . 15 1 1 A 43 43 TRP C C 43 173.064 175.060 -1.996 1 1 477 . 15 1 1 A 44 44 VAL N N 44 117.650 121.566 -3.916 1 1 478 . 15 1 1 A 44 44 VAL H H 44 8.591 8.838 -0.247 1 1 479 . 15 1 1 A 44 44 VAL CA C 44 61.801 61.099 0.702 1 1 480 . 15 1 1 A 44 44 VAL HA H 44 4.739 5.052 -0.313 1 1 481 . 15 1 1 A 44 44 VAL CB C 44 32.962 32.726 0.236 1 1 491 . 15 1 1 A 44 44 VAL C C 44 176.980 175.495 1.485 1 1 492 . 15 1 1 A 45 45 GLY N N 45 115.010 115.308 -0.298 1 1 493 . 15 1 1 A 45 45 GLY H H 45 9.469 8.857 0.612 1 1 494 . 15 1 1 A 45 45 GLY CA C 45 45.159 44.654 0.505 1 1 495 . 15 1 1 A 45 45 GLY HA2 H 45 3.769 4.407 -0.638 1 1 496 . 15 1 1 A 45 45 GLY HA3 H 45 5.478 4.597 0.881 1 1 497 . 15 1 1 A 45 45 GLY C C 45 170.022 172.630 -2.608 1 1 498 . 15 1 1 A 46 46 GLU N N 46 118.202 120.337 -2.135 1 1 499 . 15 1 1 A 46 46 GLU H H 46 9.072 9.011 0.061 1 1 500 . 15 1 1 A 46 46 GLU CA C 46 54.226 55.413 -1.187 1 1 501 . 15 1 1 A 46 46 GLU HA H 46 5.720 5.606 0.114 1 1 502 . 15 1 1 A 46 46 GLU CB C 46 34.724 32.953 1.771 1 1 508 . 15 1 1 A 46 46 GLU C C 46 174.843 174.882 -0.039 1 1 509 . 15 1 1 A 47 47 LEU N N 47 125.182 126.678 -1.496 1 1 510 . 15 1 1 A 47 47 LEU H H 47 8.880 8.637 0.243 1 1 511 . 15 1 1 A 47 47 LEU CA C 47 55.064 53.760 1.304 1 1 512 . 15 1 1 A 47 47 LEU HA H 47 4.711 4.606 0.105 1 1 513 . 15 1 1 A 47 47 LEU CB C 47 45.900 45.120 0.780 1 1 526 . 15 1 1 A 47 47 LEU C C 47 176.130 175.139 0.991 1 1 527 . 15 1 1 A 48 48 ASN N N 48 127.515 123.571 3.944 1 1 528 . 15 1 1 A 48 48 ASN H H 48 9.796 9.313 0.483 1 1 529 . 15 1 1 A 48 48 ASN CA C 48 54.407 54.466 -0.059 1 1 530 . 15 1 1 A 48 48 ASN HA H 48 4.457 4.466 -0.009 1 1 531 . 15 1 1 A 48 48 ASN CB C 48 37.546 37.275 0.271 1 1 537 . 15 1 1 A 48 48 ASN C C 48 174.935 175.533 -0.598 1 1 538 . 15 1 1 A 49 49 GLY N N 49 104.068 104.171 -0.103 1 1 539 . 15 1 1 A 49 49 GLY H H 49 8.891 8.689 0.202 1 1 540 . 15 1 1 A 49 49 GLY CA C 49 45.471 46.472 -1.001 1 1 541 . 15 1 1 A 49 49 GLY HA2 H 49 3.621 3.944 -0.323 1 1 542 . 15 1 1 A 49 49 GLY HA3 H 49 4.230 3.947 0.283 1 1 543 . 15 1 1 A 49 49 GLY C C 49 173.671 173.881 -0.210 1 1 544 . 15 1 1 A 50 50 LEU N N 50 122.996 119.881 3.115 1 1 545 . 15 1 1 A 50 50 LEU H H 50 7.818 8.075 -0.257 1 1 546 . 15 1 1 A 50 50 LEU CA C 50 53.971 53.244 0.727 1 1 547 . 15 1 1 A 50 50 LEU HA H 50 4.727 5.001 -0.274 1 1 548 . 15 1 1 A 50 50 LEU CB C 50 43.482 46.000 -2.518 1 1 561 . 15 1 1 A 50 50 LEU C C 50 174.930 175.808 -0.878 1 1 562 . 15 1 1 A 51 51 ARG N N 51 119.072 122.527 -3.455 1 1 563 . 15 1 1 A 51 51 ARG H H 51 8.410 8.734 -0.324 1 1 564 . 15 1 1 A 51 51 ARG CA C 51 54.020 55.147 -1.127 1 1 565 . 15 1 1 A 51 51 ARG HA H 51 5.843 5.257 0.586 1 1 566 . 15 1 1 A 51 51 ARG CB C 51 34.724 33.287 1.437 1 1 575 . 15 1 1 A 51 51 ARG C C 51 176.707 175.364 1.343 1 1 576 . 15 1 1 A 52 52 GLY N N 52 109.058 112.346 -3.288 1 1 577 . 15 1 1 A 52 52 GLY H H 52 8.661 8.270 0.391 1 1 578 . 15 1 1 A 52 52 GLY CA C 52 45.683 45.983 -0.300 1 1 579 . 15 1 1 A 52 52 GLY HA2 H 52 3.975 4.478 -0.503 1 1 580 . 15 1 1 A 52 52 GLY HA3 H 52 4.248 4.496 -0.248 1 1 581 . 15 1 1 A 52 52 GLY C C 52 171.261 172.811 -1.550 1 1 582 . 15 1 1 A 53 53 TRP N N 53 119.558 118.340 1.218 1 1 583 . 15 1 1 A 53 53 TRP H H 53 8.825 9.176 -0.351 1 1 584 . 15 1 1 A 53 53 TRP CA C 53 55.402 54.974 0.428 1 1 585 . 15 1 1 A 53 53 TRP HA H 53 6.222 5.771 0.451 1 1 586 . 15 1 1 A 53 53 TRP CB C 53 31.856 32.725 -0.869 1 1 601 . 15 1 1 A 53 53 TRP C C 53 176.100 174.965 1.135 1 1 602 . 15 1 1 A 54 54 PHE N N 54 115.426 115.621 -0.195 1 1 603 . 15 1 1 A 54 54 PHE H H 54 8.976 8.517 0.459 1 1 604 . 15 1 1 A 54 54 PHE CA C 54 55.805 55.521 0.284 1 1 605 . 15 1 1 A 54 54 PHE HA H 54 4.833 4.486 0.347 1 1 606 . 15 1 1 A 54 54 PHE CB C 54 39.295 39.440 -0.145 1 1 619 . 15 1 1 A 54 54 PHE C C 54 171.898 171.819 0.079 1 1 620 . 15 1 1 A 55 55 PRO CA C 55 61.963 62.641 -0.678 1 1 621 . 15 1 1 A 55 55 PRO HA H 55 4.654 5.052 -0.398 1 1 622 . 15 1 1 A 55 55 PRO CB C 55 31.179 31.540 -0.361 1 1 631 . 15 1 1 A 55 55 PRO C C 55 177.168 177.821 -0.653 1 1 632 . 15 1 1 A 56 56 ALA N N 56 130.132 128.191 1.941 1 1 633 . 15 1 1 A 56 56 ALA H H 56 7.818 8.433 -0.615 1 1 634 . 15 1 1 A 56 56 ALA CA C 56 55.045 55.023 0.022 1 1 635 . 15 1 1 A 56 56 ALA HA H 56 3.032 4.003 -0.971 1 1 636 . 15 1 1 A 56 56 ALA CB C 56 16.542 17.199 -0.657 1 1 640 . 15 1 1 A 56 56 ALA C C 56 178.595 179.840 -1.245 1 1 641 . 15 1 1 A 57 57 LYS N N 57 110.974 116.083 -5.109 1 1 642 . 15 1 1 A 57 57 LYS H H 57 8.024 8.197 -0.173 1 1 643 . 15 1 1 A 57 57 LYS CA C 57 57.118 58.819 -1.701 1 1 644 . 15 1 1 A 57 57 LYS HA H 57 4.213 4.169 0.044 1 1 645 . 15 1 1 A 57 57 LYS CB C 57 31.641 32.184 -0.543 1 1 657 . 15 1 1 A 57 57 LYS C C 57 177.053 178.295 -1.242 1 1 658 . 15 1 1 A 58 58 PHE N N 58 118.768 118.081 0.687 1 1 659 . 15 1 1 A 58 58 PHE H H 58 7.911 8.199 -0.288 1 1 660 . 15 1 1 A 58 58 PHE CA C 58 56.933 60.953 -4.020 1 1 661 . 15 1 1 A 58 58 PHE HA H 58 4.739 4.278 0.461 1 1 662 . 15 1 1 A 58 58 PHE CB C 58 38.643 39.440 -0.797 1 1 675 . 15 1 1 A 58 58 PHE C C 58 174.837 175.962 -1.125 1 1 676 . 15 1 1 A 59 59 VAL N N 59 109.843 113.668 -3.825 1 1 677 . 15 1 1 A 59 59 VAL H H 59 7.796 7.451 0.345 1 1 678 . 15 1 1 A 59 59 VAL CA C 59 58.332 59.505 -1.173 1 1 679 . 15 1 1 A 59 59 VAL HA H 59 5.333 4.753 0.580 1 1 680 . 15 1 1 A 59 59 VAL CB C 59 35.704 34.863 0.841 1 1 690 . 15 1 1 A 59 59 VAL C C 59 173.452 174.097 -0.645 1 1 691 . 15 1 1 A 60 60 GLU N N 60 119.932 120.830 -0.898 1 1 692 . 15 1 1 A 60 60 GLU H H 60 8.699 9.167 -0.468 1 1 693 . 15 1 1 A 60 60 GLU CA C 60 54.202 54.648 -0.446 1 1 694 . 15 1 1 A 60 60 GLU HA H 60 4.863 5.107 -0.244 1 1 695 . 15 1 1 A 60 60 GLU CB C 60 33.573 33.158 0.415 1 1 701 . 15 1 1 A 60 60 GLU C C 60 176.100 175.907 0.193 1 1 702 . 15 1 1 A 61 61 VAL N N 61 127.661 126.948 0.713 1 1 703 . 15 1 1 A 61 61 VAL H H 61 9.107 8.809 0.298 1 1 704 . 15 1 1 A 61 61 VAL CA C 61 64.612 63.294 1.318 1 1 705 . 15 1 1 A 61 61 VAL HA H 61 3.957 4.319 -0.362 1 1 706 . 15 1 1 A 61 61 VAL CB C 61 31.875 32.332 -0.457 1 1 716 . 15 1 1 A 61 61 VAL C C 61 176.294 175.140 1.154 1 1 717 . 15 1 1 A 62 62 LEU N N 62 128.512 125.346 3.166 1 1 718 . 15 1 1 A 62 62 LEU H H 62 8.777 8.576 0.201 1 1 719 . 15 1 1 A 62 62 LEU CA C 62 54.677 53.523 1.154 1 1 720 . 15 1 1 A 62 62 LEU HA H 62 4.456 4.929 -0.473 1 1 721 . 15 1 1 A 62 62 LEU CB C 62 42.548 46.247 -3.699 1 1 734 . 15 1 1 A 62 62 LEU C C 62 176.888 175.054 1.834 1 1 735 . 15 1 1 A 63 63 ASP N N 63 122.605 124.334 -1.729 1 1 736 . 15 1 1 A 63 63 ASP H H 63 8.588 8.830 -0.242 1 1 737 . 15 1 1 A 63 63 ASP CA C 63 53.971 52.764 1.207 1 1 738 . 15 1 1 A 63 63 ASP HA H 63 4.643 5.027 -0.384 1 1 739 . 15 1 1 A 63 63 ASP CB C 63 41.629 41.484 0.145 1 1 742 . 15 1 1 A 63 63 ASP C C 63 176.460 176.114 0.346 1 1 743 . 15 1 1 A 64 64 GLU N N 64 122.614 125.474 -2.860 1 1 744 . 15 1 1 A 64 64 GLU H H 64 8.634 8.848 -0.214 1 1 745 . 15 1 1 A 64 64 GLU CA C 64 57.086 59.487 -2.401 1 1 746 . 15 1 1 A 64 64 GLU HA H 64 4.158 4.025 0.133 1 1 747 . 15 1 1 A 64 64 GLU CB C 64 30.055 29.519 0.536 1 1 753 . 15 1 1 A 64 64 GLU C C 64 176.801 179.065 -2.264 1 1 754 . 15 1 1 A 65 65 ARG N N 65 120.526 121.225 -0.699 1 1 755 . 15 1 1 A 65 65 ARG H H 65 8.416 8.054 0.362 1 1 756 . 15 1 1 A 65 65 ARG CA C 65 56.430 59.318 -2.888 1 1 757 . 15 1 1 A 65 65 ARG HA H 65 4.323 4.081 0.242 1 1 758 . 15 1 1 A 65 65 ARG CB C 65 30.493 29.958 0.535 1 1 767 . 15 1 1 A 65 65 ARG C C 65 176.896 177.173 -0.277 1 1 768 . 15 1 1 A 66 66 SER N N 66 116.214 114.557 1.657 1 1 769 . 15 1 1 A 66 66 SER H H 66 8.225 7.926 0.299 1 1 770 . 15 1 1 A 66 66 SER CA C 66 58.732 60.210 -1.478 1 1 771 . 15 1 1 A 66 66 SER HA H 66 4.799 4.289 0.510 1 1 772 . 15 1 1 A 66 66 SER CB C 66 63.879 63.638 0.241 1 1 775 . 15 1 1 A 66 66 SER C C 66 175.225 173.512 1.713 1 1 776 . 15 1 1 A 67 67 LYS CA C 67 56.993 54.717 2.276 1 1 777 . 15 1 1 A 67 67 LYS HA H 67 4.270 4.921 -0.651 1 1 778 . 15 1 1 A 67 67 LYS CB C 67 32.724 33.740 -1.016 1 1 790 . 15 1 1 A 68 68 GLU N N 68 120.561 127.728 -7.167 1 1 791 . 15 1 1 A 68 68 GLU H H 68 8.417 8.872 -0.455 1 1 792 . 15 1 1 A 68 68 GLU CA C 68 57.144 54.355 2.789 1 1 793 . 15 1 1 A 68 68 GLU HA H 68 4.193 4.562 -0.369 1 1 794 . 15 1 1 A 68 68 GLU CB C 68 30.025 33.081 -3.056 1 1 800 . 15 1 1 A 68 68 GLU C C 68 176.828 174.661 2.167 1 1 801 . 15 1 1 A 69 69 TYR N N 69 120.399 123.047 -2.648 1 1 802 . 15 1 1 A 69 69 TYR H H 69 8.027 8.505 -0.478 1 1 803 . 15 1 1 A 69 69 TYR CA C 69 58.296 56.953 1.343 1 1 804 . 15 1 1 A 69 69 TYR HA H 69 4.504 5.241 -0.737 1 1 805 . 15 1 1 A 69 69 TYR CB C 69 38.965 39.208 -0.243 1 1 816 . 15 1 1 A 69 69 TYR C C 69 176.367 174.642 1.725 1 1 817 . 15 1 1 A 70 70 SER N N 70 117.031 120.512 -3.481 1 1 818 . 15 1 1 A 70 70 SER H H 70 8.067 8.978 -0.911 1 1 819 . 15 1 1 A 70 70 SER CA C 70 58.167 56.991 1.176 1 1 820 . 15 1 1 A 70 70 SER HA H 70 4.441 4.869 -0.428 1 1 821 . 15 1 1 A 70 70 SER CB C 70 63.911 63.483 0.428 1 1 824 . 15 1 1 A 70 70 SER C C 70 174.448 172.830 1.618 1 1 825 . 15 1 1 A 71 71 ILE N N 71 122.402 126.493 -4.091 1 1 826 . 15 1 1 A 71 71 ILE H H 71 8.083 8.723 -0.640 1 1 827 . 15 1 1 A 71 71 ILE CA C 71 61.411 59.791 1.620 1 1 828 . 15 1 1 A 71 71 ILE HA H 71 4.161 4.989 -0.828 1 1 829 . 15 1 1 A 71 71 ILE CB C 71 38.779 41.403 -2.624 1 1 842 . 15 1 1 A 71 71 ILE C C 71 176.172 175.243 0.929 1 1 843 . 15 1 1 A 72 72 ALA N N 72 127.574 128.438 -0.864 1 1 844 . 15 1 1 A 72 72 ALA H H 72 8.306 8.582 -0.276 1 1 845 . 15 1 1 A 72 72 ALA CA C 72 52.631 53.200 -0.569 1 1 846 . 15 1 1 A 72 72 ALA HA H 72 4.366 4.546 -0.180 1 1 847 . 15 1 1 A 72 72 ALA CB C 72 19.242 21.720 -2.478 1 1 851 . 15 1 1 A 72 72 ALA C C 72 177.702 177.187 0.515 1 1 852 . 15 1 1 A 73 73 SER N N 73 115.199 112.301 2.898 1 1 853 . 15 1 1 A 73 73 SER H H 73 8.223 8.033 0.190 1 1 854 . 15 1 1 A 73 73 SER CA C 73 58.285 56.861 1.424 1 1 855 . 15 1 1 A 73 73 SER HA H 73 4.471 4.833 -0.362 1 1 856 . 15 1 1 A 73 73 SER CB C 73 64.233 63.304 0.929 1 1 859 . 15 1 1 A 73 73 SER C C 73 174.639 173.290 1.349 1 1 860 . 15 1 1 A 74 74 GLY N N 74 110.616 113.925 -3.309 1 1 861 . 15 1 1 A 74 74 GLY H H 74 8.185 8.244 -0.059 1 1 862 . 15 1 1 A 74 74 GLY CA C 74 44.677 45.484 -0.807 1 1 863 . 15 1 1 A 74 74 GLY HA2 H 74 4.171 4.156 0.015 1 1 864 . 15 1 1 A 74 74 GLY HA3 H 74 4.107 4.157 -0.050 1 1 865 . 15 1 1 A 74 74 GLY C C 74 171.850 174.123 -2.273 1 1 866 . 15 1 1 A 75 75 PRO CA C 75 63.266 63.799 -0.533 1 1 867 . 15 1 1 A 75 75 PRO HA H 75 4.487 4.476 0.011 1 1 868 . 15 1 1 A 75 75 PRO CB C 75 32.196 31.527 0.669 1 1 877 . 15 1 1 A 76 76 SER N N 76 116.439 117.602 -1.163 1 1 878 . 15 1 1 A 76 76 SER H H 76 8.562 8.383 0.179 1 1 879 . 15 1 1 A 76 76 SER CA C 76 58.747 58.112 0.635 1 1 880 . 15 1 1 A 76 76 SER CB C 76 64.105 62.390 1.715 1 1 1 . 16 1 1 A 6 6 SER CA C 6 58.690 59.758 -1.068 1 1 2 . 16 1 1 A 6 6 SER HA H 6 4.411 4.352 0.059 1 1 3 . 16 1 1 A 7 7 GLY N N 7 110.826 110.358 0.468 1 1 4 . 16 1 1 A 7 7 GLY H H 7 8.436 8.616 -0.180 1 1 5 . 16 1 1 A 7 7 GLY CA C 7 45.315 44.694 0.621 1 1 6 . 16 1 1 A 7 7 GLY HA2 H 7 4.029 4.147 -0.118 1 1 7 . 16 1 1 A 7 7 GLY HA3 H 7 3.918 4.157 -0.239 1 1 8 . 16 1 1 A 7 7 GLY C C 7 173.788 172.562 1.226 1 1 9 . 16 1 1 A 8 8 ARG N N 8 120.458 121.726 -1.268 1 1 10 . 16 1 1 A 8 8 ARG H H 8 8.272 8.463 -0.191 1 1 11 . 16 1 1 A 8 8 ARG CA C 8 55.715 54.327 1.388 1 1 12 . 16 1 1 A 8 8 ARG HA H 8 4.500 5.107 -0.607 1 1 13 . 16 1 1 A 8 8 ARG CB C 8 31.541 33.243 -1.702 1 1 22 . 16 1 1 A 8 8 ARG C C 8 175.201 175.329 -0.128 1 1 23 . 16 1 1 A 9 9 ARG N N 9 121.537 120.228 1.309 1 1 24 . 16 1 1 A 9 9 ARG H H 9 8.879 8.516 0.363 1 1 25 . 16 1 1 A 9 9 ARG CA C 9 54.737 54.169 0.568 1 1 26 . 16 1 1 A 9 9 ARG HA H 9 5.288 5.454 -0.166 1 1 27 . 16 1 1 A 9 9 ARG CB C 9 34.064 33.708 0.356 1 1 36 . 16 1 1 A 9 9 ARG C C 9 174.910 174.329 0.581 1 1 37 . 16 1 1 A 10 10 ALA N N 10 122.000 125.556 -3.556 1 1 38 . 16 1 1 A 10 10 ALA H H 10 9.200 8.575 0.625 1 1 39 . 16 1 1 A 10 10 ALA CA C 10 50.229 50.045 0.184 1 1 40 . 16 1 1 A 10 10 ALA HA H 10 5.143 5.610 -0.467 1 1 41 . 16 1 1 A 10 10 ALA CB C 10 23.552 22.493 1.059 1 1 45 . 16 1 1 A 10 10 ALA C C 10 173.920 175.048 -1.128 1 1 46 . 16 1 1 A 11 11 LYS N N 11 121.984 122.374 -0.390 1 1 47 . 16 1 1 A 11 11 LYS H H 11 8.962 8.990 -0.028 1 1 48 . 16 1 1 A 11 11 LYS CA C 11 53.936 54.932 -0.996 1 1 49 . 16 1 1 A 11 11 LYS HA H 11 5.043 4.682 0.361 1 1 50 . 16 1 1 A 11 11 LYS CB C 11 35.705 34.575 1.130 1 1 62 . 16 1 1 A 11 11 LYS C C 11 176.193 176.433 -0.240 1 1 63 . 16 1 1 A 12 12 ALA N N 12 128.384 128.879 -0.495 1 1 64 . 16 1 1 A 12 12 ALA H H 12 8.974 8.692 0.282 1 1 65 . 16 1 1 A 12 12 ALA CA C 12 52.878 52.708 0.170 1 1 66 . 16 1 1 A 12 12 ALA HA H 12 4.271 4.311 -0.040 1 1 67 . 16 1 1 A 12 12 ALA CB C 12 21.024 18.958 2.066 1 1 71 . 16 1 1 A 12 12 ALA C C 12 179.524 177.508 2.016 1 1 72 . 16 1 1 A 13 13 LEU N N 13 126.125 125.093 1.032 1 1 73 . 16 1 1 A 13 13 LEU H H 13 9.490 9.027 0.463 1 1 74 . 16 1 1 A 13 13 LEU CA C 13 55.697 56.081 -0.384 1 1 75 . 16 1 1 A 13 13 LEU HA H 13 4.258 4.394 -0.136 1 1 76 . 16 1 1 A 13 13 LEU CB C 13 43.073 42.801 0.272 1 1 89 . 16 1 1 A 13 13 LEU C C 13 175.705 176.999 -1.294 1 1 90 . 16 1 1 A 14 14 LEU N N 14 116.229 113.576 2.653 1 1 91 . 16 1 1 A 14 14 LEU H H 14 7.638 7.698 -0.060 1 1 92 . 16 1 1 A 14 14 LEU CA C 14 53.715 53.458 0.257 1 1 93 . 16 1 1 A 14 14 LEU HA H 14 4.436 4.782 -0.346 1 1 94 . 16 1 1 A 14 14 LEU CB C 14 45.286 44.437 0.849 1 1 107 . 16 1 1 A 14 14 LEU C C 14 173.987 175.114 -1.127 1 1 108 . 16 1 1 A 15 15 ASP N N 15 116.528 119.460 -2.932 1 1 109 . 16 1 1 A 15 15 ASP H H 15 8.047 8.616 -0.569 1 1 110 . 16 1 1 A 15 15 ASP CA C 15 54.712 52.929 1.783 1 1 111 . 16 1 1 A 15 15 ASP HA H 15 4.628 5.237 -0.609 1 1 112 . 16 1 1 A 15 15 ASP CB C 15 41.437 41.661 -0.224 1 1 115 . 16 1 1 A 16 16 PHE N N 16 123.405 125.806 -2.401 1 1 116 . 16 1 1 A 16 16 PHE H H 16 8.414 8.974 -0.560 1 1 117 . 16 1 1 A 16 16 PHE CA C 16 56.555 55.669 0.886 1 1 118 . 16 1 1 A 16 16 PHE HA H 16 4.576 4.958 -0.382 1 1 119 . 16 1 1 A 16 16 PHE CB C 16 41.647 40.048 1.599 1 1 132 . 16 1 1 A 17 17 GLU N N 17 127.173 126.472 0.701 1 1 133 . 16 1 1 A 17 17 GLU H H 17 7.775 8.343 -0.568 1 1 134 . 16 1 1 A 17 17 GLU CA C 17 54.469 55.056 -0.587 1 1 135 . 16 1 1 A 17 17 GLU HA H 17 4.025 4.318 -0.293 1 1 136 . 16 1 1 A 17 17 GLU CB C 17 30.119 28.811 1.308 1 1 142 . 16 1 1 A 17 17 GLU C C 17 174.327 175.719 -1.392 1 1 143 . 16 1 1 A 18 18 ARG N N 18 123.112 125.280 -2.168 1 1 144 . 16 1 1 A 18 18 ARG H H 18 7.721 7.786 -0.065 1 1 145 . 16 1 1 A 18 18 ARG CA C 18 55.738 56.293 -0.555 1 1 146 . 16 1 1 A 18 18 ARG HA H 18 3.665 3.829 -0.164 1 1 147 . 16 1 1 A 18 18 ARG CB C 18 30.846 30.573 0.273 1 1 156 . 16 1 1 A 18 18 ARG C C 18 175.954 176.433 -0.479 1 1 157 . 16 1 1 A 19 19 HIS N N 19 121.992 121.661 0.331 1 1 158 . 16 1 1 A 19 19 HIS H H 19 9.200 8.458 0.742 1 1 159 . 16 1 1 A 19 19 HIS CA C 19 56.774 58.739 -1.965 1 1 160 . 16 1 1 A 19 19 HIS HA H 19 4.612 4.356 0.256 1 1 161 . 16 1 1 A 19 19 HIS CB C 19 30.061 30.214 -0.153 1 1 168 . 16 1 1 A 19 19 HIS C C 19 174.151 174.768 -0.617 1 1 169 . 16 1 1 A 20 20 ASP N N 20 119.946 117.805 2.141 1 1 170 . 16 1 1 A 20 20 ASP H H 20 8.160 7.950 0.210 1 1 171 . 16 1 1 A 20 20 ASP CA C 20 53.371 52.568 0.803 1 1 172 . 16 1 1 A 20 20 ASP HA H 20 4.785 4.835 -0.050 1 1 173 . 16 1 1 A 20 20 ASP CB C 20 43.492 43.638 -0.146 1 1 176 . 16 1 1 A 20 20 ASP C C 20 176.571 175.776 0.795 1 1 177 . 16 1 1 A 21 21 ASP N N 21 119.329 124.330 -5.001 1 1 178 . 16 1 1 A 21 21 ASP H H 21 8.686 8.851 -0.165 1 1 179 . 16 1 1 A 21 21 ASP CA C 21 56.641 57.908 -1.267 1 1 180 . 16 1 1 A 21 21 ASP HA H 21 4.439 4.343 0.096 1 1 181 . 16 1 1 A 21 21 ASP CB C 21 40.977 40.426 0.551 1 1 184 . 16 1 1 A 21 21 ASP C C 21 176.619 178.238 -1.619 1 1 185 . 16 1 1 A 22 22 ASP N N 22 116.501 119.435 -2.934 1 1 186 . 16 1 1 A 22 22 ASP H H 22 8.702 8.525 0.177 1 1 187 . 16 1 1 A 22 22 ASP CA C 22 54.535 57.956 -3.421 1 1 188 . 16 1 1 A 22 22 ASP HA H 22 4.769 4.434 0.335 1 1 189 . 16 1 1 A 22 22 ASP CB C 22 40.833 42.557 -1.724 1 1 192 . 16 1 1 A 22 22 ASP C C 22 176.139 176.975 -0.836 1 1 193 . 16 1 1 A 23 23 GLU N N 23 119.696 119.119 0.577 1 1 194 . 16 1 1 A 23 23 GLU H H 23 7.540 8.073 -0.533 1 1 195 . 16 1 1 A 23 23 GLU CA C 23 55.398 57.440 -2.042 1 1 196 . 16 1 1 A 23 23 GLU HA H 23 4.519 3.892 0.627 1 1 197 . 16 1 1 A 23 23 GLU CB C 23 32.584 29.951 2.633 1 1 203 . 16 1 1 A 23 23 GLU C C 23 175.760 175.732 0.028 1 1 204 . 16 1 1 A 24 24 LEU N N 24 125.257 126.082 -0.825 1 1 205 . 16 1 1 A 24 24 LEU H H 24 8.766 8.482 0.284 1 1 206 . 16 1 1 A 24 24 LEU CA C 24 53.525 53.858 -0.333 1 1 207 . 16 1 1 A 24 24 LEU HA H 24 4.410 4.992 -0.582 1 1 208 . 16 1 1 A 24 24 LEU CB C 24 44.685 44.011 0.674 1 1 221 . 16 1 1 A 24 24 LEU C C 24 173.987 175.561 -1.574 1 1 222 . 16 1 1 A 25 25 GLY N N 25 107.345 114.358 -7.013 1 1 223 . 16 1 1 A 25 25 GLY H H 25 7.584 9.138 -1.554 1 1 224 . 16 1 1 A 25 25 GLY CA C 25 44.096 45.040 -0.944 1 1 225 . 16 1 1 A 25 25 GLY HA2 H 25 3.361 4.019 -0.658 1 1 226 . 16 1 1 A 25 25 GLY HA3 H 25 4.260 4.031 0.229 1 1 227 . 16 1 1 A 25 25 GLY C C 25 173.720 172.494 1.226 1 1 228 . 16 1 1 A 26 26 PHE N N 26 114.043 118.043 -4.000 1 1 229 . 16 1 1 A 26 26 PHE H H 26 8.330 8.253 0.077 1 1 230 . 16 1 1 A 26 26 PHE CA C 26 56.440 55.705 0.735 1 1 231 . 16 1 1 A 26 26 PHE HA H 26 4.749 5.397 -0.648 1 1 232 . 16 1 1 A 26 26 PHE CB C 26 40.494 42.078 -1.584 1 1 245 . 16 1 1 A 26 26 PHE C C 26 174.820 172.860 1.960 1 1 246 . 16 1 1 A 27 27 ARG N N 27 120.928 120.011 0.917 1 1 247 . 16 1 1 A 27 27 ARG H H 27 9.597 8.543 1.054 1 1 248 . 16 1 1 A 27 27 ARG CA C 27 53.054 55.069 -2.015 1 1 249 . 16 1 1 A 27 27 ARG HA H 27 4.974 4.537 0.437 1 1 250 . 16 1 1 A 27 27 ARG CB C 27 32.687 31.739 0.948 1 1 259 . 16 1 1 A 27 27 ARG C C 27 175.511 175.919 -0.408 1 1 260 . 16 1 1 A 28 28 LYS N N 28 120.682 122.096 -1.414 1 1 261 . 16 1 1 A 28 28 LYS H H 28 8.922 8.612 0.310 1 1 262 . 16 1 1 A 28 28 LYS CA C 28 59.064 57.843 1.221 1 1 263 . 16 1 1 A 28 28 LYS HA H 28 3.220 4.062 -0.842 1 1 264 . 16 1 1 A 28 28 LYS CB C 28 32.826 32.524 0.302 1 1 276 . 16 1 1 A 28 28 LYS C C 28 177.019 177.298 -0.279 1 1 277 . 16 1 1 A 29 29 ASN N N 29 117.470 119.086 -1.616 1 1 278 . 16 1 1 A 29 29 ASN H H 29 8.728 9.216 -0.488 1 1 279 . 16 1 1 A 29 29 ASN CA C 29 56.477 54.318 2.159 1 1 280 . 16 1 1 A 29 29 ASN HA H 29 4.148 4.520 -0.372 1 1 281 . 16 1 1 A 29 29 ASN CB C 29 37.170 37.248 -0.078 1 1 287 . 16 1 1 A 29 29 ASN C C 29 174.716 173.706 1.010 1 1 288 . 16 1 1 A 30 30 ASP N N 30 122.549 117.603 4.946 1 1 289 . 16 1 1 A 30 30 ASP H H 30 8.527 7.934 0.593 1 1 290 . 16 1 1 A 30 30 ASP CA C 30 56.167 52.997 3.170 1 1 291 . 16 1 1 A 30 30 ASP HA H 30 4.596 5.051 -0.455 1 1 292 . 16 1 1 A 30 30 ASP CB C 30 41.797 42.725 -0.928 1 1 295 . 16 1 1 A 30 30 ASP C C 30 175.177 175.691 -0.514 1 1 296 . 16 1 1 A 31 31 ILE N N 31 119.187 124.093 -4.906 1 1 297 . 16 1 1 A 31 31 ILE H H 31 8.267 8.682 -0.415 1 1 298 . 16 1 1 A 31 31 ILE CA C 31 59.191 61.134 -1.943 1 1 299 . 16 1 1 A 31 31 ILE HA H 31 4.819 4.311 0.508 1 1 300 . 16 1 1 A 31 31 ILE CB C 31 36.702 37.601 -0.899 1 1 313 . 16 1 1 A 31 31 ILE C C 31 175.437 175.346 0.091 1 1 314 . 16 1 1 A 32 32 ILE N N 32 129.566 128.454 1.112 1 1 315 . 16 1 1 A 32 32 ILE H H 32 9.247 8.522 0.725 1 1 316 . 16 1 1 A 32 32 ILE CA C 32 60.211 59.654 0.557 1 1 317 . 16 1 1 A 32 32 ILE HA H 32 4.140 4.896 -0.756 1 1 318 . 16 1 1 A 32 32 ILE CB C 32 41.978 41.549 0.429 1 1 331 . 16 1 1 A 32 32 ILE C C 32 176.197 174.775 1.422 1 1 332 . 16 1 1 A 33 33 THR N N 33 123.061 122.840 0.221 1 1 333 . 16 1 1 A 33 33 THR H H 33 8.741 8.737 0.004 1 1 334 . 16 1 1 A 33 33 THR CA C 33 63.117 62.273 0.844 1 1 335 . 16 1 1 A 33 33 THR HA H 33 4.583 4.662 -0.079 1 1 336 . 16 1 1 A 33 33 THR CB C 33 69.626 69.498 0.128 1 1 342 . 16 1 1 A 33 33 THR C C 33 174.011 174.231 -0.220 1 1 343 . 16 1 1 A 34 34 ILE N N 34 128.281 128.395 -0.114 1 1 344 . 16 1 1 A 34 34 ILE H H 34 9.110 9.163 -0.053 1 1 345 . 16 1 1 A 34 34 ILE CA C 34 61.566 61.813 -0.247 1 1 346 . 16 1 1 A 34 34 ILE HA H 34 4.117 4.323 -0.206 1 1 347 . 16 1 1 A 34 34 ILE CB C 34 36.785 36.919 -0.134 1 1 360 . 16 1 1 A 34 34 ILE C C 34 175.420 175.338 0.082 1 1 361 . 16 1 1 A 35 35 ILE N N 35 128.859 130.260 -1.401 1 1 362 . 16 1 1 A 35 35 ILE H H 35 9.359 9.185 0.174 1 1 363 . 16 1 1 A 35 35 ILE CA C 35 60.949 63.243 -2.294 1 1 364 . 16 1 1 A 35 35 ILE HA H 35 4.224 4.030 0.194 1 1 365 . 16 1 1 A 35 35 ILE CB C 35 38.186 38.573 -0.387 1 1 378 . 16 1 1 A 35 35 ILE C C 35 176.253 175.956 0.297 1 1 379 . 16 1 1 A 36 36 SER N N 36 111.665 112.787 -1.122 1 1 380 . 16 1 1 A 36 36 SER H H 36 7.882 7.493 0.389 1 1 381 . 16 1 1 A 36 36 SER CA C 36 57.605 56.610 0.995 1 1 382 . 16 1 1 A 36 36 SER HA H 36 4.525 4.616 -0.091 1 1 383 . 16 1 1 A 36 36 SER CB C 36 64.435 65.466 -1.031 1 1 386 . 16 1 1 A 36 36 SER C C 36 172.845 172.440 0.405 1 1 387 . 16 1 1 A 37 37 GLN N N 37 116.906 120.606 -3.700 1 1 388 . 16 1 1 A 37 37 GLN H H 37 8.055 8.502 -0.447 1 1 389 . 16 1 1 A 37 37 GLN CA C 37 54.718 54.267 0.451 1 1 390 . 16 1 1 A 37 37 GLN HA H 37 4.420 4.986 -0.566 1 1 391 . 16 1 1 A 37 37 GLN CB C 37 29.381 29.387 -0.006 1 1 400 . 16 1 1 A 37 37 GLN C C 37 175.080 176.044 -0.964 1 1 401 . 16 1 1 A 38 38 LYS N N 38 124.909 124.948 -0.039 1 1 402 . 16 1 1 A 38 38 LYS H H 38 8.046 8.333 -0.287 1 1 403 . 16 1 1 A 38 38 LYS CA C 38 58.998 59.197 -0.199 1 1 404 . 16 1 1 A 38 38 LYS HA H 38 4.076 3.973 0.103 1 1 405 . 16 1 1 A 38 38 LYS CB C 38 33.116 32.594 0.522 1 1 417 . 16 1 1 A 38 38 LYS C C 38 176.508 175.289 1.219 1 1 418 . 16 1 1 A 39 39 ASP N N 39 117.133 116.562 0.571 1 1 419 . 16 1 1 A 39 39 ASP H H 39 8.296 8.337 -0.041 1 1 420 . 16 1 1 A 39 39 ASP CA C 39 53.294 53.129 0.165 1 1 421 . 16 1 1 A 39 39 ASP HA H 39 4.558 5.017 -0.459 1 1 422 . 16 1 1 A 39 39 ASP CB C 39 41.847 43.619 -1.772 1 1 425 . 16 1 1 A 39 39 ASP C C 39 175.201 176.608 -1.407 1 1 426 . 16 1 1 A 40 40 GLU N N 40 116.223 123.707 -7.484 1 1 427 . 16 1 1 A 40 40 GLU H H 40 8.564 9.218 -0.654 1 1 428 . 16 1 1 A 40 40 GLU CA C 40 58.748 60.203 -1.455 1 1 429 . 16 1 1 A 40 40 GLU HA H 40 4.088 4.262 -0.174 1 1 430 . 16 1 1 A 40 40 GLU CB C 40 29.696 29.318 0.378 1 1 436 . 16 1 1 A 40 40 GLU C C 40 176.367 178.215 -1.848 1 1 437 . 16 1 1 A 41 41 HIS N N 41 114.612 115.971 -1.359 1 1 438 . 16 1 1 A 41 41 HIS H H 41 8.383 7.775 0.608 1 1 439 . 16 1 1 A 41 41 HIS CA C 41 56.873 58.488 -1.615 1 1 440 . 16 1 1 A 41 41 HIS HA H 41 4.613 4.250 0.363 1 1 441 . 16 1 1 A 41 41 HIS CB C 41 32.910 30.989 1.921 1 1 448 . 16 1 1 A 41 41 HIS C C 41 176.755 175.117 1.638 1 1 449 . 16 1 1 A 42 42 CYS N N 42 122.290 116.591 5.699 1 1 450 . 16 1 1 A 42 42 CYS H H 42 8.337 7.606 0.731 1 1 451 . 16 1 1 A 42 42 CYS CA C 42 58.168 57.484 0.684 1 1 452 . 16 1 1 A 42 42 CYS HA H 42 4.885 4.727 0.158 1 1 453 . 16 1 1 A 42 42 CYS CB C 42 29.227 28.746 0.481 1 1 456 . 16 1 1 A 42 42 CYS C C 42 172.892 174.255 -1.363 1 1 457 . 16 1 1 A 43 43 TRP N N 43 127.114 125.770 1.344 1 1 458 . 16 1 1 A 43 43 TRP H H 43 8.333 8.637 -0.304 1 1 459 . 16 1 1 A 43 43 TRP CA C 43 53.262 55.518 -2.256 1 1 460 . 16 1 1 A 43 43 TRP HA H 43 5.307 5.121 0.186 1 1 461 . 16 1 1 A 43 43 TRP CB C 43 33.323 33.217 0.106 1 1 476 . 16 1 1 A 43 43 TRP C C 43 173.064 175.253 -2.189 1 1 477 . 16 1 1 A 44 44 VAL N N 44 117.650 119.884 -2.234 1 1 478 . 16 1 1 A 44 44 VAL H H 44 8.591 8.915 -0.324 1 1 479 . 16 1 1 A 44 44 VAL CA C 44 61.801 60.885 0.916 1 1 480 . 16 1 1 A 44 44 VAL HA H 44 4.739 5.265 -0.526 1 1 481 . 16 1 1 A 44 44 VAL CB C 44 32.962 34.736 -1.774 1 1 491 . 16 1 1 A 44 44 VAL C C 44 176.980 175.127 1.853 1 1 492 . 16 1 1 A 45 45 GLY N N 45 115.010 114.718 0.292 1 1 493 . 16 1 1 A 45 45 GLY H H 45 9.469 9.020 0.449 1 1 494 . 16 1 1 A 45 45 GLY CA C 45 45.159 44.872 0.287 1 1 495 . 16 1 1 A 45 45 GLY HA2 H 45 3.769 4.538 -0.769 1 1 496 . 16 1 1 A 45 45 GLY HA3 H 45 5.478 4.728 0.750 1 1 497 . 16 1 1 A 45 45 GLY C C 45 170.022 172.303 -2.281 1 1 498 . 16 1 1 A 46 46 GLU N N 46 118.202 120.650 -2.448 1 1 499 . 16 1 1 A 46 46 GLU H H 46 9.072 9.003 0.069 1 1 500 . 16 1 1 A 46 46 GLU CA C 46 54.226 55.034 -0.808 1 1 501 . 16 1 1 A 46 46 GLU HA H 46 5.720 5.326 0.394 1 1 502 . 16 1 1 A 46 46 GLU CB C 46 34.724 33.701 1.023 1 1 508 . 16 1 1 A 46 46 GLU C C 46 174.843 174.719 0.124 1 1 509 . 16 1 1 A 47 47 LEU N N 47 125.182 125.478 -0.296 1 1 510 . 16 1 1 A 47 47 LEU H H 47 8.880 9.228 -0.348 1 1 511 . 16 1 1 A 47 47 LEU CA C 47 55.064 54.197 0.867 1 1 512 . 16 1 1 A 47 47 LEU HA H 47 4.711 4.508 0.203 1 1 513 . 16 1 1 A 47 47 LEU CB C 47 45.900 45.065 0.835 1 1 526 . 16 1 1 A 47 47 LEU C C 47 176.130 175.370 0.760 1 1 527 . 16 1 1 A 48 48 ASN N N 48 127.515 125.782 1.733 1 1 528 . 16 1 1 A 48 48 ASN H H 48 9.796 9.369 0.427 1 1 529 . 16 1 1 A 48 48 ASN CA C 48 54.407 54.535 -0.128 1 1 530 . 16 1 1 A 48 48 ASN HA H 48 4.457 4.485 -0.028 1 1 531 . 16 1 1 A 48 48 ASN CB C 48 37.546 37.274 0.272 1 1 537 . 16 1 1 A 48 48 ASN C C 48 174.935 175.574 -0.639 1 1 538 . 16 1 1 A 49 49 GLY N N 49 104.068 104.285 -0.217 1 1 539 . 16 1 1 A 49 49 GLY H H 49 8.891 8.682 0.209 1 1 540 . 16 1 1 A 49 49 GLY CA C 49 45.471 45.506 -0.035 1 1 541 . 16 1 1 A 49 49 GLY HA2 H 49 3.621 3.876 -0.255 1 1 542 . 16 1 1 A 49 49 GLY HA3 H 49 4.230 3.878 0.352 1 1 543 . 16 1 1 A 49 49 GLY C C 49 173.671 173.851 -0.180 1 1 544 . 16 1 1 A 50 50 LEU N N 50 122.996 122.197 0.799 1 1 545 . 16 1 1 A 50 50 LEU H H 50 7.818 8.157 -0.339 1 1 546 . 16 1 1 A 50 50 LEU CA C 50 53.971 53.960 0.011 1 1 547 . 16 1 1 A 50 50 LEU HA H 50 4.727 4.709 0.018 1 1 548 . 16 1 1 A 50 50 LEU CB C 50 43.482 44.475 -0.993 1 1 561 . 16 1 1 A 50 50 LEU C C 50 174.930 175.772 -0.842 1 1 562 . 16 1 1 A 51 51 ARG N N 51 119.072 121.867 -2.795 1 1 563 . 16 1 1 A 51 51 ARG H H 51 8.410 8.908 -0.498 1 1 564 . 16 1 1 A 51 51 ARG CA C 51 54.020 54.208 -0.188 1 1 565 . 16 1 1 A 51 51 ARG HA H 51 5.843 5.592 0.251 1 1 566 . 16 1 1 A 51 51 ARG CB C 51 34.724 34.556 0.168 1 1 575 . 16 1 1 A 51 51 ARG C C 51 176.707 175.167 1.540 1 1 576 . 16 1 1 A 52 52 GLY N N 52 109.058 105.825 3.233 1 1 577 . 16 1 1 A 52 52 GLY H H 52 8.661 8.478 0.183 1 1 578 . 16 1 1 A 52 52 GLY CA C 52 45.683 46.169 -0.486 1 1 579 . 16 1 1 A 52 52 GLY HA2 H 52 3.975 4.295 -0.320 1 1 580 . 16 1 1 A 52 52 GLY HA3 H 52 4.248 4.311 -0.063 1 1 581 . 16 1 1 A 52 52 GLY C C 52 171.261 172.744 -1.483 1 1 582 . 16 1 1 A 53 53 TRP N N 53 119.558 117.671 1.887 1 1 583 . 16 1 1 A 53 53 TRP H H 53 8.825 8.790 0.035 1 1 584 . 16 1 1 A 53 53 TRP CA C 53 55.402 56.398 -0.996 1 1 585 . 16 1 1 A 53 53 TRP HA H 53 6.222 5.479 0.743 1 1 586 . 16 1 1 A 53 53 TRP CB C 53 31.856 31.408 0.448 1 1 601 . 16 1 1 A 53 53 TRP C C 53 176.100 175.810 0.290 1 1 602 . 16 1 1 A 54 54 PHE N N 54 115.426 116.350 -0.924 1 1 603 . 16 1 1 A 54 54 PHE H H 54 8.976 8.730 0.246 1 1 604 . 16 1 1 A 54 54 PHE CA C 54 55.805 55.565 0.240 1 1 605 . 16 1 1 A 54 54 PHE HA H 54 4.833 4.388 0.445 1 1 606 . 16 1 1 A 54 54 PHE CB C 54 39.295 39.312 -0.017 1 1 619 . 16 1 1 A 54 54 PHE C C 54 171.898 171.941 -0.043 1 1 620 . 16 1 1 A 55 55 PRO CA C 55 61.963 62.766 -0.803 1 1 621 . 16 1 1 A 55 55 PRO HA H 55 4.654 4.766 -0.112 1 1 622 . 16 1 1 A 55 55 PRO CB C 55 31.179 31.693 -0.514 1 1 631 . 16 1 1 A 55 55 PRO C C 55 177.168 177.864 -0.696 1 1 632 . 16 1 1 A 56 56 ALA N N 56 130.132 128.215 1.917 1 1 633 . 16 1 1 A 56 56 ALA H H 56 7.818 8.305 -0.487 1 1 634 . 16 1 1 A 56 56 ALA CA C 56 55.045 55.097 -0.052 1 1 635 . 16 1 1 A 56 56 ALA HA H 56 3.032 4.061 -1.029 1 1 636 . 16 1 1 A 56 56 ALA CB C 56 16.542 17.057 -0.515 1 1 640 . 16 1 1 A 56 56 ALA C C 56 178.595 179.569 -0.974 1 1 641 . 16 1 1 A 57 57 LYS N N 57 110.974 115.813 -4.839 1 1 642 . 16 1 1 A 57 57 LYS H H 57 8.024 8.046 -0.022 1 1 643 . 16 1 1 A 57 57 LYS CA C 57 57.118 58.843 -1.725 1 1 644 . 16 1 1 A 57 57 LYS HA H 57 4.213 4.077 0.136 1 1 645 . 16 1 1 A 57 57 LYS CB C 57 31.641 32.081 -0.440 1 1 657 . 16 1 1 A 57 57 LYS C C 57 177.053 178.533 -1.480 1 1 658 . 16 1 1 A 58 58 PHE N N 58 118.768 118.495 0.273 1 1 659 . 16 1 1 A 58 58 PHE H H 58 7.911 8.260 -0.349 1 1 660 . 16 1 1 A 58 58 PHE CA C 58 56.933 61.232 -4.299 1 1 661 . 16 1 1 A 58 58 PHE HA H 58 4.739 4.320 0.419 1 1 662 . 16 1 1 A 58 58 PHE CB C 58 38.643 39.252 -0.609 1 1 675 . 16 1 1 A 58 58 PHE C C 58 174.837 175.979 -1.142 1 1 676 . 16 1 1 A 59 59 VAL N N 59 109.843 113.728 -3.885 1 1 677 . 16 1 1 A 59 59 VAL H H 59 7.796 7.710 0.086 1 1 678 . 16 1 1 A 59 59 VAL CA C 59 58.332 59.580 -1.248 1 1 679 . 16 1 1 A 59 59 VAL HA H 59 5.333 4.803 0.530 1 1 680 . 16 1 1 A 59 59 VAL CB C 59 35.704 34.643 1.061 1 1 690 . 16 1 1 A 59 59 VAL C C 59 173.452 174.186 -0.734 1 1 691 . 16 1 1 A 60 60 GLU N N 60 119.932 121.044 -1.112 1 1 692 . 16 1 1 A 60 60 GLU H H 60 8.699 9.171 -0.472 1 1 693 . 16 1 1 A 60 60 GLU CA C 60 54.202 54.596 -0.394 1 1 694 . 16 1 1 A 60 60 GLU HA H 60 4.863 5.158 -0.295 1 1 695 . 16 1 1 A 60 60 GLU CB C 60 33.573 33.430 0.143 1 1 701 . 16 1 1 A 60 60 GLU C C 60 176.100 175.799 0.301 1 1 702 . 16 1 1 A 61 61 VAL N N 61 127.661 126.715 0.946 1 1 703 . 16 1 1 A 61 61 VAL H H 61 9.107 8.734 0.373 1 1 704 . 16 1 1 A 61 61 VAL CA C 61 64.612 62.616 1.996 1 1 705 . 16 1 1 A 61 61 VAL HA H 61 3.957 4.383 -0.426 1 1 706 . 16 1 1 A 61 61 VAL CB C 61 31.875 32.270 -0.395 1 1 716 . 16 1 1 A 61 61 VAL C C 61 176.294 175.325 0.969 1 1 717 . 16 1 1 A 62 62 LEU N N 62 128.512 124.988 3.524 1 1 718 . 16 1 1 A 62 62 LEU H H 62 8.777 8.595 0.182 1 1 719 . 16 1 1 A 62 62 LEU CA C 62 54.677 54.013 0.664 1 1 720 . 16 1 1 A 62 62 LEU HA H 62 4.456 4.985 -0.529 1 1 721 . 16 1 1 A 62 62 LEU CB C 62 42.548 44.745 -2.197 1 1 734 . 16 1 1 A 62 62 LEU C C 62 176.888 175.745 1.143 1 1 735 . 16 1 1 A 63 63 ASP N N 63 122.605 124.030 -1.425 1 1 736 . 16 1 1 A 63 63 ASP H H 63 8.588 8.587 0.001 1 1 737 . 16 1 1 A 63 63 ASP CA C 63 53.971 53.266 0.705 1 1 738 . 16 1 1 A 63 63 ASP HA H 63 4.643 4.722 -0.079 1 1 739 . 16 1 1 A 63 63 ASP CB C 63 41.629 39.760 1.869 1 1 742 . 16 1 1 A 63 63 ASP C C 63 176.460 175.811 0.649 1 1 743 . 16 1 1 A 64 64 GLU N N 64 122.614 114.049 8.565 1 1 744 . 16 1 1 A 64 64 GLU H H 64 8.634 8.002 0.632 1 1 745 . 16 1 1 A 64 64 GLU CA C 64 57.086 57.340 -0.254 1 1 746 . 16 1 1 A 64 64 GLU HA H 64 4.158 3.939 0.219 1 1 747 . 16 1 1 A 64 64 GLU CB C 64 30.055 27.661 2.394 1 1 753 . 16 1 1 A 64 64 GLU C C 64 176.801 176.546 0.255 1 1 754 . 16 1 1 A 65 65 ARG N N 65 120.526 117.040 3.486 1 1 755 . 16 1 1 A 65 65 ARG H H 65 8.416 8.153 0.263 1 1 756 . 16 1 1 A 65 65 ARG CA C 65 56.430 56.313 0.117 1 1 757 . 16 1 1 A 65 65 ARG HA H 65 4.323 4.307 0.016 1 1 758 . 16 1 1 A 65 65 ARG CB C 65 30.493 29.862 0.631 1 1 767 . 16 1 1 A 65 65 ARG C C 65 176.896 175.816 1.080 1 1 768 . 16 1 1 A 66 66 SER N N 66 116.214 116.616 -0.402 1 1 769 . 16 1 1 A 66 66 SER H H 66 8.225 7.487 0.738 1 1 770 . 16 1 1 A 66 66 SER CA C 66 58.732 57.536 1.196 1 1 771 . 16 1 1 A 66 66 SER HA H 66 4.799 4.712 0.087 1 1 772 . 16 1 1 A 66 66 SER CB C 66 63.879 63.343 0.536 1 1 775 . 16 1 1 A 66 66 SER C C 66 175.225 173.709 1.516 1 1 776 . 16 1 1 A 67 67 LYS CA C 67 56.993 54.886 2.107 1 1 777 . 16 1 1 A 67 67 LYS HA H 67 4.270 5.108 -0.838 1 1 778 . 16 1 1 A 67 67 LYS CB C 67 32.724 35.967 -3.243 1 1 790 . 16 1 1 A 68 68 GLU N N 68 120.561 119.549 1.012 1 1 791 . 16 1 1 A 68 68 GLU H H 68 8.417 8.458 -0.041 1 1 792 . 16 1 1 A 68 68 GLU CA C 68 57.144 55.028 2.116 1 1 793 . 16 1 1 A 68 68 GLU HA H 68 4.193 5.063 -0.870 1 1 794 . 16 1 1 A 68 68 GLU CB C 68 30.025 32.853 -2.828 1 1 800 . 16 1 1 A 68 68 GLU C C 68 176.828 175.169 1.659 1 1 801 . 16 1 1 A 69 69 TYR N N 69 120.399 118.464 1.935 1 1 802 . 16 1 1 A 69 69 TYR H H 69 8.027 8.772 -0.745 1 1 803 . 16 1 1 A 69 69 TYR CA C 69 58.296 56.622 1.674 1 1 804 . 16 1 1 A 69 69 TYR HA H 69 4.504 5.255 -0.751 1 1 805 . 16 1 1 A 69 69 TYR CB C 69 38.965 42.619 -3.654 1 1 816 . 16 1 1 A 69 69 TYR C C 69 176.367 174.228 2.139 1 1 817 . 16 1 1 A 70 70 SER N N 70 117.031 116.450 0.581 1 1 818 . 16 1 1 A 70 70 SER H H 70 8.067 9.005 -0.938 1 1 819 . 16 1 1 A 70 70 SER CA C 70 58.167 56.559 1.608 1 1 820 . 16 1 1 A 70 70 SER HA H 70 4.441 5.106 -0.665 1 1 821 . 16 1 1 A 70 70 SER CB C 70 63.911 64.644 -0.733 1 1 824 . 16 1 1 A 70 70 SER C C 70 174.448 173.471 0.977 1 1 825 . 16 1 1 A 71 71 ILE N N 71 122.402 127.829 -5.427 1 1 826 . 16 1 1 A 71 71 ILE H H 71 8.083 9.051 -0.968 1 1 827 . 16 1 1 A 71 71 ILE CA C 71 61.411 60.236 1.175 1 1 828 . 16 1 1 A 71 71 ILE HA H 71 4.161 4.641 -0.480 1 1 829 . 16 1 1 A 71 71 ILE CB C 71 38.779 41.808 -3.029 1 1 842 . 16 1 1 A 71 71 ILE C C 71 176.172 175.762 0.410 1 1 843 . 16 1 1 A 72 72 ALA N N 72 127.574 131.444 -3.870 1 1 844 . 16 1 1 A 72 72 ALA H H 72 8.306 9.007 -0.701 1 1 845 . 16 1 1 A 72 72 ALA CA C 72 52.631 51.764 0.867 1 1 846 . 16 1 1 A 72 72 ALA HA H 72 4.366 4.471 -0.105 1 1 847 . 16 1 1 A 72 72 ALA CB C 72 19.242 20.398 -1.156 1 1 851 . 16 1 1 A 72 72 ALA C C 72 177.702 177.496 0.206 1 1 852 . 16 1 1 A 73 73 SER N N 73 115.199 116.485 -1.286 1 1 853 . 16 1 1 A 73 73 SER H H 73 8.223 8.573 -0.350 1 1 854 . 16 1 1 A 73 73 SER CA C 73 58.285 57.862 0.423 1 1 855 . 16 1 1 A 73 73 SER HA H 73 4.471 4.806 -0.335 1 1 856 . 16 1 1 A 73 73 SER CB C 73 64.233 64.436 -0.203 1 1 859 . 16 1 1 A 73 73 SER C C 73 174.639 174.338 0.301 1 1 860 . 16 1 1 A 74 74 GLY N N 74 110.616 108.876 1.740 1 1 861 . 16 1 1 A 74 74 GLY H H 74 8.185 8.169 0.016 1 1 862 . 16 1 1 A 74 74 GLY CA C 74 44.677 46.176 -1.499 1 1 863 . 16 1 1 A 74 74 GLY HA2 H 74 4.171 4.202 -0.031 1 1 864 . 16 1 1 A 74 74 GLY HA3 H 74 4.107 4.202 -0.095 1 1 865 . 16 1 1 A 74 74 GLY C C 74 171.850 173.720 -1.870 1 1 866 . 16 1 1 A 75 75 PRO CA C 75 63.266 64.840 -1.574 1 1 867 . 16 1 1 A 75 75 PRO HA H 75 4.487 4.374 0.113 1 1 868 . 16 1 1 A 75 75 PRO CB C 75 32.196 32.083 0.113 1 1 877 . 16 1 1 A 76 76 SER N N 76 116.439 112.388 4.051 1 1 878 . 16 1 1 A 76 76 SER H H 76 8.562 7.666 0.896 1 1 879 . 16 1 1 A 76 76 SER CA C 76 58.747 57.198 1.549 1 1 880 . 16 1 1 A 76 76 SER CB C 76 64.105 65.365 -1.260 1 1 1 . 17 1 1 A 6 6 SER CA C 6 58.690 59.443 -0.753 1 1 2 . 17 1 1 A 6 6 SER HA H 6 4.411 4.353 0.058 1 1 3 . 17 1 1 A 7 7 GLY N N 7 110.826 110.711 0.115 1 1 4 . 17 1 1 A 7 7 GLY H H 7 8.436 8.211 0.225 1 1 5 . 17 1 1 A 7 7 GLY CA C 7 45.315 45.901 -0.586 1 1 6 . 17 1 1 A 7 7 GLY HA2 H 7 4.029 4.032 -0.003 1 1 7 . 17 1 1 A 7 7 GLY HA3 H 7 3.918 4.040 -0.122 1 1 8 . 17 1 1 A 7 7 GLY C C 7 173.788 171.854 1.934 1 1 9 . 17 1 1 A 8 8 ARG N N 8 120.458 122.807 -2.349 1 1 10 . 17 1 1 A 8 8 ARG H H 8 8.272 8.554 -0.282 1 1 11 . 17 1 1 A 8 8 ARG CA C 8 55.715 54.129 1.586 1 1 12 . 17 1 1 A 8 8 ARG HA H 8 4.500 5.033 -0.533 1 1 13 . 17 1 1 A 8 8 ARG CB C 8 31.541 34.635 -3.094 1 1 22 . 17 1 1 A 8 8 ARG C C 8 175.201 174.840 0.361 1 1 23 . 17 1 1 A 9 9 ARG N N 9 121.537 119.853 1.684 1 1 24 . 17 1 1 A 9 9 ARG H H 9 8.879 8.598 0.281 1 1 25 . 17 1 1 A 9 9 ARG CA C 9 54.737 54.455 0.282 1 1 26 . 17 1 1 A 9 9 ARG HA H 9 5.288 5.185 0.103 1 1 27 . 17 1 1 A 9 9 ARG CB C 9 34.064 34.495 -0.431 1 1 36 . 17 1 1 A 9 9 ARG C C 9 174.910 174.124 0.786 1 1 37 . 17 1 1 A 10 10 ALA N N 10 122.000 123.862 -1.862 1 1 38 . 17 1 1 A 10 10 ALA H H 10 9.200 8.678 0.522 1 1 39 . 17 1 1 A 10 10 ALA CA C 10 50.229 50.173 0.056 1 1 40 . 17 1 1 A 10 10 ALA HA H 10 5.143 5.466 -0.323 1 1 41 . 17 1 1 A 10 10 ALA CB C 10 23.552 22.368 1.184 1 1 45 . 17 1 1 A 10 10 ALA C C 10 173.920 174.884 -0.964 1 1 46 . 17 1 1 A 11 11 LYS N N 11 121.984 122.890 -0.906 1 1 47 . 17 1 1 A 11 11 LYS H H 11 8.962 8.586 0.376 1 1 48 . 17 1 1 A 11 11 LYS CA C 11 53.936 55.560 -1.624 1 1 49 . 17 1 1 A 11 11 LYS HA H 11 5.043 4.621 0.422 1 1 50 . 17 1 1 A 11 11 LYS CB C 11 35.705 33.661 2.044 1 1 62 . 17 1 1 A 11 11 LYS C C 11 176.193 176.472 -0.279 1 1 63 . 17 1 1 A 12 12 ALA N N 12 128.384 129.130 -0.746 1 1 64 . 17 1 1 A 12 12 ALA H H 12 8.974 8.971 0.003 1 1 65 . 17 1 1 A 12 12 ALA CA C 12 52.878 52.157 0.721 1 1 66 . 17 1 1 A 12 12 ALA HA H 12 4.271 4.338 -0.067 1 1 67 . 17 1 1 A 12 12 ALA CB C 12 21.024 18.547 2.477 1 1 71 . 17 1 1 A 12 12 ALA C C 12 179.524 178.096 1.428 1 1 72 . 17 1 1 A 13 13 LEU N N 13 126.125 126.978 -0.853 1 1 73 . 17 1 1 A 13 13 LEU H H 13 9.490 8.332 1.158 1 1 74 . 17 1 1 A 13 13 LEU CA C 13 55.697 56.956 -1.259 1 1 75 . 17 1 1 A 13 13 LEU HA H 13 4.258 4.106 0.152 1 1 76 . 17 1 1 A 13 13 LEU CB C 13 43.073 42.259 0.814 1 1 89 . 17 1 1 A 13 13 LEU C C 13 175.705 176.783 -1.078 1 1 90 . 17 1 1 A 14 14 LEU N N 14 116.229 113.608 2.621 1 1 91 . 17 1 1 A 14 14 LEU H H 14 7.638 7.733 -0.095 1 1 92 . 17 1 1 A 14 14 LEU CA C 14 53.715 53.249 0.466 1 1 93 . 17 1 1 A 14 14 LEU HA H 14 4.436 4.866 -0.430 1 1 94 . 17 1 1 A 14 14 LEU CB C 14 45.286 45.036 0.250 1 1 107 . 17 1 1 A 14 14 LEU C C 14 173.987 174.970 -0.983 1 1 108 . 17 1 1 A 15 15 ASP N N 15 116.528 121.305 -4.777 1 1 109 . 17 1 1 A 15 15 ASP H H 15 8.047 8.691 -0.644 1 1 110 . 17 1 1 A 15 15 ASP CA C 15 54.712 54.145 0.567 1 1 111 . 17 1 1 A 15 15 ASP HA H 15 4.628 5.007 -0.379 1 1 112 . 17 1 1 A 15 15 ASP CB C 15 41.437 42.276 -0.839 1 1 115 . 17 1 1 A 16 16 PHE N N 16 123.405 125.680 -2.275 1 1 116 . 17 1 1 A 16 16 PHE H H 16 8.414 8.864 -0.450 1 1 117 . 17 1 1 A 16 16 PHE CA C 16 56.555 57.267 -0.712 1 1 118 . 17 1 1 A 16 16 PHE HA H 16 4.576 4.827 -0.251 1 1 119 . 17 1 1 A 16 16 PHE CB C 16 41.647 41.554 0.093 1 1 132 . 17 1 1 A 17 17 GLU N N 17 127.173 125.962 1.211 1 1 133 . 17 1 1 A 17 17 GLU H H 17 7.775 8.163 -0.388 1 1 134 . 17 1 1 A 17 17 GLU CA C 17 54.469 55.005 -0.536 1 1 135 . 17 1 1 A 17 17 GLU HA H 17 4.025 4.252 -0.227 1 1 136 . 17 1 1 A 17 17 GLU CB C 17 30.119 29.674 0.445 1 1 142 . 17 1 1 A 17 17 GLU C C 17 174.327 175.414 -1.087 1 1 143 . 17 1 1 A 18 18 ARG N N 18 123.112 125.306 -2.194 1 1 144 . 17 1 1 A 18 18 ARG H H 18 7.721 8.076 -0.355 1 1 145 . 17 1 1 A 18 18 ARG CA C 18 55.738 55.899 -0.161 1 1 146 . 17 1 1 A 18 18 ARG HA H 18 3.665 3.614 0.051 1 1 147 . 17 1 1 A 18 18 ARG CB C 18 30.846 30.522 0.324 1 1 156 . 17 1 1 A 18 18 ARG C C 18 175.954 175.434 0.520 1 1 157 . 17 1 1 A 19 19 HIS N N 19 121.992 119.158 2.834 1 1 158 . 17 1 1 A 19 19 HIS H H 19 9.200 8.728 0.472 1 1 159 . 17 1 1 A 19 19 HIS CA C 19 56.774 57.009 -0.235 1 1 160 . 17 1 1 A 19 19 HIS HA H 19 4.612 4.557 0.055 1 1 161 . 17 1 1 A 19 19 HIS CB C 19 30.061 31.094 -1.033 1 1 168 . 17 1 1 A 19 19 HIS C C 19 174.151 174.762 -0.611 1 1 169 . 17 1 1 A 20 20 ASP N N 20 119.946 117.950 1.996 1 1 170 . 17 1 1 A 20 20 ASP H H 20 8.160 7.985 0.175 1 1 171 . 17 1 1 A 20 20 ASP CA C 20 53.371 54.032 -0.661 1 1 172 . 17 1 1 A 20 20 ASP HA H 20 4.785 4.701 0.084 1 1 173 . 17 1 1 A 20 20 ASP CB C 20 43.492 43.139 0.353 1 1 176 . 17 1 1 A 20 20 ASP C C 20 176.571 176.959 -0.388 1 1 177 . 17 1 1 A 21 21 ASP N N 21 119.329 124.741 -5.412 1 1 178 . 17 1 1 A 21 21 ASP H H 21 8.686 8.875 -0.189 1 1 179 . 17 1 1 A 21 21 ASP CA C 21 56.641 57.286 -0.645 1 1 180 . 17 1 1 A 21 21 ASP HA H 21 4.439 4.273 0.166 1 1 181 . 17 1 1 A 21 21 ASP CB C 21 40.977 40.327 0.650 1 1 184 . 17 1 1 A 21 21 ASP C C 21 176.619 177.948 -1.329 1 1 185 . 17 1 1 A 22 22 ASP N N 22 116.501 117.703 -1.202 1 1 186 . 17 1 1 A 22 22 ASP H H 22 8.702 8.344 0.358 1 1 187 . 17 1 1 A 22 22 ASP CA C 22 54.535 56.953 -2.418 1 1 188 . 17 1 1 A 22 22 ASP HA H 22 4.769 4.649 0.120 1 1 189 . 17 1 1 A 22 22 ASP CB C 22 40.833 40.821 0.012 1 1 192 . 17 1 1 A 22 22 ASP C C 22 176.139 177.512 -1.373 1 1 193 . 17 1 1 A 23 23 GLU N N 23 119.696 118.340 1.356 1 1 194 . 17 1 1 A 23 23 GLU H H 23 7.540 7.926 -0.386 1 1 195 . 17 1 1 A 23 23 GLU CA C 23 55.398 57.526 -2.128 1 1 196 . 17 1 1 A 23 23 GLU HA H 23 4.519 4.176 0.343 1 1 197 . 17 1 1 A 23 23 GLU CB C 23 32.584 30.120 2.464 1 1 203 . 17 1 1 A 23 23 GLU C C 23 175.760 175.776 -0.016 1 1 204 . 17 1 1 A 24 24 LEU N N 24 125.257 126.770 -1.513 1 1 205 . 17 1 1 A 24 24 LEU H H 24 8.766 8.712 0.054 1 1 206 . 17 1 1 A 24 24 LEU CA C 24 53.525 54.051 -0.526 1 1 207 . 17 1 1 A 24 24 LEU HA H 24 4.410 5.095 -0.685 1 1 208 . 17 1 1 A 24 24 LEU CB C 24 44.685 44.376 0.309 1 1 221 . 17 1 1 A 24 24 LEU C C 24 173.987 176.406 -2.419 1 1 222 . 17 1 1 A 25 25 GLY N N 25 107.345 113.484 -6.139 1 1 223 . 17 1 1 A 25 25 GLY H H 25 7.584 8.998 -1.414 1 1 224 . 17 1 1 A 25 25 GLY CA C 25 44.096 44.048 0.048 1 1 225 . 17 1 1 A 25 25 GLY HA2 H 25 3.361 3.996 -0.635 1 1 226 . 17 1 1 A 25 25 GLY HA3 H 25 4.260 4.004 0.256 1 1 227 . 17 1 1 A 25 25 GLY C C 25 173.720 173.081 0.639 1 1 228 . 17 1 1 A 26 26 PHE N N 26 114.043 115.766 -1.723 1 1 229 . 17 1 1 A 26 26 PHE H H 26 8.330 8.684 -0.354 1 1 230 . 17 1 1 A 26 26 PHE CA C 26 56.440 56.512 -0.072 1 1 231 . 17 1 1 A 26 26 PHE HA H 26 4.749 5.084 -0.335 1 1 232 . 17 1 1 A 26 26 PHE CB C 26 40.494 40.526 -0.032 1 1 245 . 17 1 1 A 26 26 PHE C C 26 174.820 172.402 2.418 1 1 246 . 17 1 1 A 27 27 ARG N N 27 120.928 118.883 2.045 1 1 247 . 17 1 1 A 27 27 ARG H H 27 9.597 8.605 0.992 1 1 248 . 17 1 1 A 27 27 ARG CA C 27 53.054 53.954 -0.900 1 1 249 . 17 1 1 A 27 27 ARG HA H 27 4.974 4.967 0.007 1 1 250 . 17 1 1 A 27 27 ARG CB C 27 32.687 33.343 -0.656 1 1 259 . 17 1 1 A 27 27 ARG C C 27 175.511 175.422 0.089 1 1 260 . 17 1 1 A 28 28 LYS N N 28 120.682 122.335 -1.653 1 1 261 . 17 1 1 A 28 28 LYS H H 28 8.922 8.599 0.323 1 1 262 . 17 1 1 A 28 28 LYS CA C 28 59.064 57.615 1.449 1 1 263 . 17 1 1 A 28 28 LYS HA H 28 3.220 4.049 -0.829 1 1 264 . 17 1 1 A 28 28 LYS CB C 28 32.826 32.645 0.181 1 1 276 . 17 1 1 A 28 28 LYS C C 28 177.019 177.266 -0.247 1 1 277 . 17 1 1 A 29 29 ASN N N 29 117.470 118.952 -1.482 1 1 278 . 17 1 1 A 29 29 ASN H H 29 8.728 9.212 -0.484 1 1 279 . 17 1 1 A 29 29 ASN CA C 29 56.477 54.308 2.169 1 1 280 . 17 1 1 A 29 29 ASN HA H 29 4.148 4.308 -0.160 1 1 281 . 17 1 1 A 29 29 ASN CB C 29 37.170 37.329 -0.159 1 1 287 . 17 1 1 A 29 29 ASN C C 29 174.716 173.580 1.136 1 1 288 . 17 1 1 A 30 30 ASP N N 30 122.549 116.517 6.032 1 1 289 . 17 1 1 A 30 30 ASP H H 30 8.527 7.759 0.768 1 1 290 . 17 1 1 A 30 30 ASP CA C 30 56.167 52.915 3.252 1 1 291 . 17 1 1 A 30 30 ASP HA H 30 4.596 5.167 -0.571 1 1 292 . 17 1 1 A 30 30 ASP CB C 30 41.797 43.384 -1.587 1 1 295 . 17 1 1 A 30 30 ASP C C 30 175.177 175.253 -0.076 1 1 296 . 17 1 1 A 31 31 ILE N N 31 119.187 122.547 -3.360 1 1 297 . 17 1 1 A 31 31 ILE H H 31 8.267 8.675 -0.408 1 1 298 . 17 1 1 A 31 31 ILE CA C 31 59.191 60.040 -0.849 1 1 299 . 17 1 1 A 31 31 ILE HA H 31 4.819 4.645 0.174 1 1 300 . 17 1 1 A 31 31 ILE CB C 31 36.702 38.483 -1.781 1 1 313 . 17 1 1 A 31 31 ILE C C 31 175.437 175.559 -0.122 1 1 314 . 17 1 1 A 32 32 ILE N N 32 129.566 128.542 1.024 1 1 315 . 17 1 1 A 32 32 ILE H H 32 9.247 8.917 0.330 1 1 316 . 17 1 1 A 32 32 ILE CA C 32 60.211 59.353 0.858 1 1 317 . 17 1 1 A 32 32 ILE HA H 32 4.140 4.846 -0.706 1 1 318 . 17 1 1 A 32 32 ILE CB C 32 41.978 40.479 1.499 1 1 331 . 17 1 1 A 32 32 ILE C C 32 176.197 175.179 1.018 1 1 332 . 17 1 1 A 33 33 THR N N 33 123.061 122.109 0.952 1 1 333 . 17 1 1 A 33 33 THR H H 33 8.741 8.310 0.431 1 1 334 . 17 1 1 A 33 33 THR CA C 33 63.117 63.122 -0.005 1 1 335 . 17 1 1 A 33 33 THR HA H 33 4.583 4.420 0.163 1 1 336 . 17 1 1 A 33 33 THR CB C 33 69.626 69.087 0.539 1 1 342 . 17 1 1 A 33 33 THR C C 33 174.011 174.048 -0.037 1 1 343 . 17 1 1 A 34 34 ILE N N 34 128.281 126.807 1.474 1 1 344 . 17 1 1 A 34 34 ILE H H 34 9.110 8.989 0.121 1 1 345 . 17 1 1 A 34 34 ILE CA C 34 61.566 60.750 0.816 1 1 346 . 17 1 1 A 34 34 ILE HA H 34 4.117 4.369 -0.252 1 1 347 . 17 1 1 A 34 34 ILE CB C 34 36.785 37.292 -0.507 1 1 360 . 17 1 1 A 34 34 ILE C C 34 175.420 175.373 0.047 1 1 361 . 17 1 1 A 35 35 ILE N N 35 128.859 129.829 -0.970 1 1 362 . 17 1 1 A 35 35 ILE H H 35 9.359 8.919 0.440 1 1 363 . 17 1 1 A 35 35 ILE CA C 35 60.949 63.125 -2.176 1 1 364 . 17 1 1 A 35 35 ILE HA H 35 4.224 4.077 0.147 1 1 365 . 17 1 1 A 35 35 ILE CB C 35 38.186 38.544 -0.358 1 1 378 . 17 1 1 A 35 35 ILE C C 35 176.253 175.892 0.361 1 1 379 . 17 1 1 A 36 36 SER N N 36 111.665 114.116 -2.451 1 1 380 . 17 1 1 A 36 36 SER H H 36 7.882 8.016 -0.134 1 1 381 . 17 1 1 A 36 36 SER CA C 36 57.605 56.604 1.001 1 1 382 . 17 1 1 A 36 36 SER HA H 36 4.525 4.849 -0.324 1 1 383 . 17 1 1 A 36 36 SER CB C 36 64.435 65.571 -1.136 1 1 386 . 17 1 1 A 36 36 SER C C 36 172.845 172.848 -0.003 1 1 387 . 17 1 1 A 37 37 GLN N N 37 116.906 125.213 -8.307 1 1 388 . 17 1 1 A 37 37 GLN H H 37 8.055 8.688 -0.633 1 1 389 . 17 1 1 A 37 37 GLN CA C 37 54.718 53.886 0.832 1 1 390 . 17 1 1 A 37 37 GLN HA H 37 4.420 4.664 -0.244 1 1 391 . 17 1 1 A 37 37 GLN CB C 37 29.381 28.432 0.949 1 1 400 . 17 1 1 A 37 37 GLN C C 37 175.080 176.101 -1.021 1 1 401 . 17 1 1 A 38 38 LYS N N 38 124.909 125.826 -0.917 1 1 402 . 17 1 1 A 38 38 LYS H H 38 8.046 8.492 -0.446 1 1 403 . 17 1 1 A 38 38 LYS CA C 38 58.998 59.347 -0.349 1 1 404 . 17 1 1 A 38 38 LYS HA H 38 4.076 3.941 0.135 1 1 405 . 17 1 1 A 38 38 LYS CB C 38 33.116 32.632 0.484 1 1 417 . 17 1 1 A 38 38 LYS C C 38 176.508 175.409 1.099 1 1 418 . 17 1 1 A 39 39 ASP N N 39 117.133 115.904 1.229 1 1 419 . 17 1 1 A 39 39 ASP H H 39 8.296 8.504 -0.208 1 1 420 . 17 1 1 A 39 39 ASP CA C 39 53.294 53.250 0.044 1 1 421 . 17 1 1 A 39 39 ASP HA H 39 4.558 5.053 -0.495 1 1 422 . 17 1 1 A 39 39 ASP CB C 39 41.847 44.599 -2.752 1 1 425 . 17 1 1 A 39 39 ASP C C 39 175.201 176.372 -1.171 1 1 426 . 17 1 1 A 40 40 GLU N N 40 116.223 122.300 -6.077 1 1 427 . 17 1 1 A 40 40 GLU H H 40 8.564 8.987 -0.423 1 1 428 . 17 1 1 A 40 40 GLU CA C 40 58.748 59.213 -0.465 1 1 429 . 17 1 1 A 40 40 GLU HA H 40 4.088 4.382 -0.294 1 1 430 . 17 1 1 A 40 40 GLU CB C 40 29.696 29.677 0.019 1 1 436 . 17 1 1 A 40 40 GLU C C 40 176.367 177.869 -1.502 1 1 437 . 17 1 1 A 41 41 HIS N N 41 114.612 116.043 -1.431 1 1 438 . 17 1 1 A 41 41 HIS H H 41 8.383 8.170 0.213 1 1 439 . 17 1 1 A 41 41 HIS CA C 41 56.873 57.257 -0.384 1 1 440 . 17 1 1 A 41 41 HIS HA H 41 4.613 4.399 0.214 1 1 441 . 17 1 1 A 41 41 HIS CB C 41 32.910 31.381 1.529 1 1 448 . 17 1 1 A 41 41 HIS C C 41 176.755 175.268 1.487 1 1 449 . 17 1 1 A 42 42 CYS N N 42 122.290 114.765 7.525 1 1 450 . 17 1 1 A 42 42 CYS H H 42 8.337 7.768 0.569 1 1 451 . 17 1 1 A 42 42 CYS CA C 42 58.168 57.415 0.753 1 1 452 . 17 1 1 A 42 42 CYS HA H 42 4.885 4.626 0.259 1 1 453 . 17 1 1 A 42 42 CYS CB C 42 29.227 29.618 -0.391 1 1 456 . 17 1 1 A 42 42 CYS C C 42 172.892 173.665 -0.773 1 1 457 . 17 1 1 A 43 43 TRP N N 43 127.114 123.509 3.605 1 1 458 . 17 1 1 A 43 43 TRP H H 43 8.333 8.575 -0.242 1 1 459 . 17 1 1 A 43 43 TRP CA C 43 53.262 55.435 -2.173 1 1 460 . 17 1 1 A 43 43 TRP HA H 43 5.307 5.228 0.079 1 1 461 . 17 1 1 A 43 43 TRP CB C 43 33.323 33.541 -0.218 1 1 476 . 17 1 1 A 43 43 TRP C C 43 173.064 175.258 -2.194 1 1 477 . 17 1 1 A 44 44 VAL N N 44 117.650 120.753 -3.103 1 1 478 . 17 1 1 A 44 44 VAL H H 44 8.591 8.984 -0.393 1 1 479 . 17 1 1 A 44 44 VAL CA C 44 61.801 60.984 0.817 1 1 480 . 17 1 1 A 44 44 VAL HA H 44 4.739 5.091 -0.352 1 1 481 . 17 1 1 A 44 44 VAL CB C 44 32.962 34.291 -1.329 1 1 491 . 17 1 1 A 44 44 VAL C C 44 176.980 175.308 1.672 1 1 492 . 17 1 1 A 45 45 GLY N N 45 115.010 115.005 0.005 1 1 493 . 17 1 1 A 45 45 GLY H H 45 9.469 8.823 0.646 1 1 494 . 17 1 1 A 45 45 GLY CA C 45 45.159 44.696 0.463 1 1 495 . 17 1 1 A 45 45 GLY HA2 H 45 3.769 4.384 -0.615 1 1 496 . 17 1 1 A 45 45 GLY HA3 H 45 5.478 4.581 0.897 1 1 497 . 17 1 1 A 45 45 GLY C C 45 170.022 172.627 -2.605 1 1 498 . 17 1 1 A 46 46 GLU N N 46 118.202 119.961 -1.759 1 1 499 . 17 1 1 A 46 46 GLU H H 46 9.072 8.996 0.076 1 1 500 . 17 1 1 A 46 46 GLU CA C 46 54.226 55.633 -1.407 1 1 501 . 17 1 1 A 46 46 GLU HA H 46 5.720 5.581 0.139 1 1 502 . 17 1 1 A 46 46 GLU CB C 46 34.724 32.696 2.028 1 1 508 . 17 1 1 A 46 46 GLU C C 46 174.843 174.566 0.277 1 1 509 . 17 1 1 A 47 47 LEU N N 47 125.182 126.742 -1.560 1 1 510 . 17 1 1 A 47 47 LEU H H 47 8.880 8.974 -0.094 1 1 511 . 17 1 1 A 47 47 LEU CA C 47 55.064 53.902 1.162 1 1 512 . 17 1 1 A 47 47 LEU HA H 47 4.711 4.596 0.115 1 1 513 . 17 1 1 A 47 47 LEU CB C 47 45.900 45.163 0.737 1 1 526 . 17 1 1 A 47 47 LEU C C 47 176.130 175.183 0.947 1 1 527 . 17 1 1 A 48 48 ASN N N 48 127.515 124.525 2.990 1 1 528 . 17 1 1 A 48 48 ASN H H 48 9.796 9.315 0.481 1 1 529 . 17 1 1 A 48 48 ASN CA C 48 54.407 54.467 -0.060 1 1 530 . 17 1 1 A 48 48 ASN HA H 48 4.457 4.462 -0.005 1 1 531 . 17 1 1 A 48 48 ASN CB C 48 37.546 37.245 0.301 1 1 537 . 17 1 1 A 48 48 ASN C C 48 174.935 175.544 -0.609 1 1 538 . 17 1 1 A 49 49 GLY N N 49 104.068 104.052 0.016 1 1 539 . 17 1 1 A 49 49 GLY H H 49 8.891 8.679 0.212 1 1 540 . 17 1 1 A 49 49 GLY CA C 49 45.471 46.212 -0.741 1 1 541 . 17 1 1 A 49 49 GLY HA2 H 49 3.621 3.940 -0.319 1 1 542 . 17 1 1 A 49 49 GLY HA3 H 49 4.230 3.944 0.286 1 1 543 . 17 1 1 A 49 49 GLY C C 49 173.671 173.945 -0.274 1 1 544 . 17 1 1 A 50 50 LEU N N 50 122.996 120.708 2.288 1 1 545 . 17 1 1 A 50 50 LEU H H 50 7.818 8.039 -0.221 1 1 546 . 17 1 1 A 50 50 LEU CA C 50 53.971 54.066 -0.095 1 1 547 . 17 1 1 A 50 50 LEU HA H 50 4.727 4.717 0.010 1 1 548 . 17 1 1 A 50 50 LEU CB C 50 43.482 45.221 -1.739 1 1 561 . 17 1 1 A 50 50 LEU C C 50 174.930 174.636 0.294 1 1 562 . 17 1 1 A 51 51 ARG N N 51 119.072 125.866 -6.794 1 1 563 . 17 1 1 A 51 51 ARG H H 51 8.410 9.091 -0.681 1 1 564 . 17 1 1 A 51 51 ARG CA C 51 54.020 54.678 -0.658 1 1 565 . 17 1 1 A 51 51 ARG HA H 51 5.843 5.503 0.340 1 1 566 . 17 1 1 A 51 51 ARG CB C 51 34.724 32.882 1.842 1 1 575 . 17 1 1 A 51 51 ARG C C 51 176.707 175.458 1.249 1 1 576 . 17 1 1 A 52 52 GLY N N 52 109.058 112.480 -3.422 1 1 577 . 17 1 1 A 52 52 GLY H H 52 8.661 8.844 -0.183 1 1 578 . 17 1 1 A 52 52 GLY CA C 52 45.683 45.836 -0.153 1 1 579 . 17 1 1 A 52 52 GLY HA2 H 52 3.975 4.461 -0.486 1 1 580 . 17 1 1 A 52 52 GLY HA3 H 52 4.248 4.477 -0.229 1 1 581 . 17 1 1 A 52 52 GLY C C 52 171.261 172.665 -1.404 1 1 582 . 17 1 1 A 53 53 TRP N N 53 119.558 118.281 1.277 1 1 583 . 17 1 1 A 53 53 TRP H H 53 8.825 9.002 -0.177 1 1 584 . 17 1 1 A 53 53 TRP CA C 53 55.402 55.398 0.004 1 1 585 . 17 1 1 A 53 53 TRP HA H 53 6.222 5.750 0.472 1 1 586 . 17 1 1 A 53 53 TRP CB C 53 31.856 32.464 -0.608 1 1 601 . 17 1 1 A 53 53 TRP C C 53 176.100 175.475 0.625 1 1 602 . 17 1 1 A 54 54 PHE N N 54 115.426 115.824 -0.398 1 1 603 . 17 1 1 A 54 54 PHE H H 54 8.976 8.419 0.557 1 1 604 . 17 1 1 A 54 54 PHE CA C 54 55.805 55.560 0.245 1 1 605 . 17 1 1 A 54 54 PHE HA H 54 4.833 4.500 0.333 1 1 606 . 17 1 1 A 54 54 PHE CB C 54 39.295 39.438 -0.143 1 1 619 . 17 1 1 A 54 54 PHE C C 54 171.898 171.848 0.050 1 1 620 . 17 1 1 A 55 55 PRO CA C 55 61.963 62.636 -0.673 1 1 621 . 17 1 1 A 55 55 PRO HA H 55 4.654 4.652 0.002 1 1 622 . 17 1 1 A 55 55 PRO CB C 55 31.179 31.434 -0.255 1 1 631 . 17 1 1 A 55 55 PRO C C 55 177.168 177.814 -0.646 1 1 632 . 17 1 1 A 56 56 ALA N N 56 130.132 128.218 1.914 1 1 633 . 17 1 1 A 56 56 ALA H H 56 7.818 8.086 -0.268 1 1 634 . 17 1 1 A 56 56 ALA CA C 56 55.045 55.114 -0.069 1 1 635 . 17 1 1 A 56 56 ALA HA H 56 3.032 4.086 -1.054 1 1 636 . 17 1 1 A 56 56 ALA CB C 56 16.542 17.297 -0.755 1 1 640 . 17 1 1 A 56 56 ALA C C 56 178.595 179.613 -1.018 1 1 641 . 17 1 1 A 57 57 LYS N N 57 110.974 116.063 -5.089 1 1 642 . 17 1 1 A 57 57 LYS H H 57 8.024 8.078 -0.054 1 1 643 . 17 1 1 A 57 57 LYS CA C 57 57.118 58.773 -1.655 1 1 644 . 17 1 1 A 57 57 LYS HA H 57 4.213 4.027 0.186 1 1 645 . 17 1 1 A 57 57 LYS CB C 57 31.641 31.892 -0.251 1 1 657 . 17 1 1 A 57 57 LYS C C 57 177.053 178.499 -1.446 1 1 658 . 17 1 1 A 58 58 PHE N N 58 118.768 118.667 0.101 1 1 659 . 17 1 1 A 58 58 PHE H H 58 7.911 7.971 -0.060 1 1 660 . 17 1 1 A 58 58 PHE CA C 58 56.933 60.857 -3.924 1 1 661 . 17 1 1 A 58 58 PHE HA H 58 4.739 4.286 0.453 1 1 662 . 17 1 1 A 58 58 PHE CB C 58 38.643 38.988 -0.345 1 1 675 . 17 1 1 A 58 58 PHE C C 58 174.837 175.837 -1.000 1 1 676 . 17 1 1 A 59 59 VAL N N 59 109.843 114.366 -4.523 1 1 677 . 17 1 1 A 59 59 VAL H H 59 7.796 7.788 0.008 1 1 678 . 17 1 1 A 59 59 VAL CA C 59 58.332 59.572 -1.240 1 1 679 . 17 1 1 A 59 59 VAL HA H 59 5.333 4.640 0.693 1 1 680 . 17 1 1 A 59 59 VAL CB C 59 35.704 34.185 1.519 1 1 690 . 17 1 1 A 59 59 VAL C C 59 173.452 174.103 -0.651 1 1 691 . 17 1 1 A 60 60 GLU N N 60 119.932 120.860 -0.928 1 1 692 . 17 1 1 A 60 60 GLU H H 60 8.699 8.980 -0.281 1 1 693 . 17 1 1 A 60 60 GLU CA C 60 54.202 54.730 -0.528 1 1 694 . 17 1 1 A 60 60 GLU HA H 60 4.863 5.143 -0.280 1 1 695 . 17 1 1 A 60 60 GLU CB C 60 33.573 33.164 0.409 1 1 701 . 17 1 1 A 60 60 GLU C C 60 176.100 175.928 0.172 1 1 702 . 17 1 1 A 61 61 VAL N N 61 127.661 127.165 0.496 1 1 703 . 17 1 1 A 61 61 VAL H H 61 9.107 8.827 0.280 1 1 704 . 17 1 1 A 61 61 VAL CA C 61 64.612 63.151 1.461 1 1 705 . 17 1 1 A 61 61 VAL HA H 61 3.957 4.307 -0.350 1 1 706 . 17 1 1 A 61 61 VAL CB C 61 31.875 32.359 -0.484 1 1 716 . 17 1 1 A 61 61 VAL C C 61 176.294 175.274 1.020 1 1 717 . 17 1 1 A 62 62 LEU N N 62 128.512 125.560 2.952 1 1 718 . 17 1 1 A 62 62 LEU H H 62 8.777 8.114 0.663 1 1 719 . 17 1 1 A 62 62 LEU CA C 62 54.677 53.880 0.797 1 1 720 . 17 1 1 A 62 62 LEU HA H 62 4.456 4.922 -0.466 1 1 721 . 17 1 1 A 62 62 LEU CB C 62 42.548 45.534 -2.986 1 1 734 . 17 1 1 A 62 62 LEU C C 62 176.888 175.394 1.494 1 1 735 . 17 1 1 A 63 63 ASP N N 63 122.605 124.690 -2.085 1 1 736 . 17 1 1 A 63 63 ASP H H 63 8.588 8.955 -0.367 1 1 737 . 17 1 1 A 63 63 ASP CA C 63 53.971 52.763 1.208 1 1 738 . 17 1 1 A 63 63 ASP HA H 63 4.643 5.047 -0.404 1 1 739 . 17 1 1 A 63 63 ASP CB C 63 41.629 40.990 0.639 1 1 742 . 17 1 1 A 63 63 ASP C C 63 176.460 175.592 0.868 1 1 743 . 17 1 1 A 64 64 GLU N N 64 122.614 123.460 -0.846 1 1 744 . 17 1 1 A 64 64 GLU H H 64 8.634 8.657 -0.023 1 1 745 . 17 1 1 A 64 64 GLU CA C 64 57.086 55.945 1.141 1 1 746 . 17 1 1 A 64 64 GLU HA H 64 4.158 4.318 -0.160 1 1 747 . 17 1 1 A 64 64 GLU CB C 64 30.055 30.529 -0.474 1 1 753 . 17 1 1 A 64 64 GLU C C 64 176.801 177.164 -0.363 1 1 754 . 17 1 1 A 65 65 ARG N N 65 120.526 123.529 -3.003 1 1 755 . 17 1 1 A 65 65 ARG H H 65 8.416 8.926 -0.510 1 1 756 . 17 1 1 A 65 65 ARG CA C 65 56.430 57.081 -0.651 1 1 757 . 17 1 1 A 65 65 ARG HA H 65 4.323 3.912 0.411 1 1 758 . 17 1 1 A 65 65 ARG CB C 65 30.493 29.051 1.442 1 1 767 . 17 1 1 A 65 65 ARG C C 65 176.896 174.759 2.137 1 1 768 . 17 1 1 A 66 66 SER N N 66 116.214 114.017 2.197 1 1 769 . 17 1 1 A 66 66 SER H H 66 8.225 7.728 0.497 1 1 770 . 17 1 1 A 66 66 SER CA C 66 58.732 57.368 1.364 1 1 771 . 17 1 1 A 66 66 SER HA H 66 4.799 4.846 -0.047 1 1 772 . 17 1 1 A 66 66 SER CB C 66 63.879 65.777 -1.898 1 1 775 . 17 1 1 A 66 66 SER C C 66 175.225 173.337 1.888 1 1 776 . 17 1 1 A 67 67 LYS CA C 67 56.993 57.104 -0.111 1 1 777 . 17 1 1 A 67 67 LYS HA H 67 4.270 4.326 -0.056 1 1 778 . 17 1 1 A 67 67 LYS CB C 67 32.724 33.344 -0.620 1 1 790 . 17 1 1 A 68 68 GLU N N 68 120.561 125.903 -5.342 1 1 791 . 17 1 1 A 68 68 GLU H H 68 8.417 8.539 -0.122 1 1 792 . 17 1 1 A 68 68 GLU CA C 68 57.144 55.392 1.752 1 1 793 . 17 1 1 A 68 68 GLU HA H 68 4.193 4.312 -0.119 1 1 794 . 17 1 1 A 68 68 GLU CB C 68 30.025 33.688 -3.663 1 1 800 . 17 1 1 A 68 68 GLU C C 68 176.828 174.022 2.806 1 1 801 . 17 1 1 A 69 69 TYR N N 69 120.399 123.002 -2.603 1 1 802 . 17 1 1 A 69 69 TYR H H 69 8.027 8.353 -0.326 1 1 803 . 17 1 1 A 69 69 TYR CA C 69 58.296 56.405 1.891 1 1 804 . 17 1 1 A 69 69 TYR HA H 69 4.504 5.084 -0.580 1 1 805 . 17 1 1 A 69 69 TYR CB C 69 38.965 39.387 -0.422 1 1 816 . 17 1 1 A 69 69 TYR C C 69 176.367 174.231 2.136 1 1 817 . 17 1 1 A 70 70 SER N N 70 117.031 119.498 -2.467 1 1 818 . 17 1 1 A 70 70 SER H H 70 8.067 8.792 -0.725 1 1 819 . 17 1 1 A 70 70 SER CA C 70 58.167 55.563 2.604 1 1 820 . 17 1 1 A 70 70 SER HA H 70 4.441 5.167 -0.726 1 1 821 . 17 1 1 A 70 70 SER CB C 70 63.911 66.334 -2.423 1 1 824 . 17 1 1 A 70 70 SER C C 70 174.448 173.415 1.033 1 1 825 . 17 1 1 A 71 71 ILE N N 71 122.402 123.348 -0.946 1 1 826 . 17 1 1 A 71 71 ILE H H 71 8.083 8.558 -0.475 1 1 827 . 17 1 1 A 71 71 ILE CA C 71 61.411 62.383 -0.972 1 1 828 . 17 1 1 A 71 71 ILE HA H 71 4.161 4.045 0.116 1 1 829 . 17 1 1 A 71 71 ILE CB C 71 38.779 37.883 0.896 1 1 842 . 17 1 1 A 71 71 ILE C C 71 176.172 176.516 -0.344 1 1 843 . 17 1 1 A 72 72 ALA N N 72 127.574 129.743 -2.169 1 1 844 . 17 1 1 A 72 72 ALA H H 72 8.306 8.254 0.052 1 1 845 . 17 1 1 A 72 72 ALA CA C 72 52.631 52.452 0.179 1 1 846 . 17 1 1 A 72 72 ALA HA H 72 4.366 4.352 0.014 1 1 847 . 17 1 1 A 72 72 ALA CB C 72 19.242 19.199 0.043 1 1 851 . 17 1 1 A 72 72 ALA C C 72 177.702 177.469 0.233 1 1 852 . 17 1 1 A 73 73 SER N N 73 115.199 111.728 3.471 1 1 853 . 17 1 1 A 73 73 SER H H 73 8.223 8.543 -0.320 1 1 854 . 17 1 1 A 73 73 SER CA C 73 58.285 56.542 1.743 1 1 855 . 17 1 1 A 73 73 SER HA H 73 4.471 5.282 -0.811 1 1 856 . 17 1 1 A 73 73 SER CB C 73 64.233 65.328 -1.095 1 1 859 . 17 1 1 A 73 73 SER C C 73 174.639 174.142 0.497 1 1 860 . 17 1 1 A 74 74 GLY N N 74 110.616 109.917 0.699 1 1 861 . 17 1 1 A 74 74 GLY H H 74 8.185 8.523 -0.338 1 1 862 . 17 1 1 A 74 74 GLY CA C 74 44.677 44.406 0.271 1 1 863 . 17 1 1 A 74 74 GLY HA2 H 74 4.171 4.081 0.090 1 1 864 . 17 1 1 A 74 74 GLY HA3 H 74 4.107 4.081 0.026 1 1 865 . 17 1 1 A 74 74 GLY C C 74 171.850 174.642 -2.792 1 1 866 . 17 1 1 A 75 75 PRO CA C 75 63.266 63.878 -0.612 1 1 867 . 17 1 1 A 75 75 PRO HA H 75 4.487 4.452 0.035 1 1 868 . 17 1 1 A 75 75 PRO CB C 75 32.196 31.950 0.246 1 1 877 . 17 1 1 A 76 76 SER N N 76 116.439 114.943 1.496 1 1 878 . 17 1 1 A 76 76 SER H H 76 8.562 8.490 0.072 1 1 879 . 17 1 1 A 76 76 SER CA C 76 58.747 61.787 -3.040 1 1 880 . 17 1 1 A 76 76 SER CB C 76 64.105 62.984 1.121 1 1 1 . 18 1 1 A 6 6 SER CA C 6 58.690 58.012 0.678 1 1 2 . 18 1 1 A 6 6 SER HA H 6 4.411 4.542 -0.131 1 1 3 . 18 1 1 A 7 7 GLY N N 7 110.826 112.875 -2.049 1 1 4 . 18 1 1 A 7 7 GLY H H 7 8.436 8.620 -0.184 1 1 5 . 18 1 1 A 7 7 GLY CA C 7 45.315 45.700 -0.385 1 1 6 . 18 1 1 A 7 7 GLY HA2 H 7 4.029 3.920 0.109 1 1 7 . 18 1 1 A 7 7 GLY HA3 H 7 3.918 3.929 -0.011 1 1 8 . 18 1 1 A 7 7 GLY C C 7 173.788 173.341 0.447 1 1 9 . 18 1 1 A 8 8 ARG N N 8 120.458 123.765 -3.307 1 1 10 . 18 1 1 A 8 8 ARG H H 8 8.272 8.455 -0.183 1 1 11 . 18 1 1 A 8 8 ARG CA C 8 55.715 54.012 1.703 1 1 12 . 18 1 1 A 8 8 ARG HA H 8 4.500 5.063 -0.563 1 1 13 . 18 1 1 A 8 8 ARG CB C 8 31.541 34.696 -3.155 1 1 22 . 18 1 1 A 8 8 ARG C C 8 175.201 175.169 0.032 1 1 23 . 18 1 1 A 9 9 ARG N N 9 121.537 120.309 1.228 1 1 24 . 18 1 1 A 9 9 ARG H H 9 8.879 8.573 0.306 1 1 25 . 18 1 1 A 9 9 ARG CA C 9 54.737 54.290 0.447 1 1 26 . 18 1 1 A 9 9 ARG HA H 9 5.288 5.183 0.105 1 1 27 . 18 1 1 A 9 9 ARG CB C 9 34.064 34.059 0.005 1 1 36 . 18 1 1 A 9 9 ARG C C 9 174.910 174.238 0.672 1 1 37 . 18 1 1 A 10 10 ALA N N 10 122.000 124.807 -2.807 1 1 38 . 18 1 1 A 10 10 ALA H H 10 9.200 8.877 0.323 1 1 39 . 18 1 1 A 10 10 ALA CA C 10 50.229 50.132 0.097 1 1 40 . 18 1 1 A 10 10 ALA HA H 10 5.143 5.606 -0.463 1 1 41 . 18 1 1 A 10 10 ALA CB C 10 23.552 22.578 0.974 1 1 45 . 18 1 1 A 10 10 ALA C C 10 173.920 174.960 -1.040 1 1 46 . 18 1 1 A 11 11 LYS N N 11 121.984 122.320 -0.336 1 1 47 . 18 1 1 A 11 11 LYS H H 11 8.962 8.836 0.126 1 1 48 . 18 1 1 A 11 11 LYS CA C 11 53.936 55.289 -1.353 1 1 49 . 18 1 1 A 11 11 LYS HA H 11 5.043 4.645 0.398 1 1 50 . 18 1 1 A 11 11 LYS CB C 11 35.705 34.137 1.568 1 1 62 . 18 1 1 A 11 11 LYS C C 11 176.193 176.165 0.028 1 1 63 . 18 1 1 A 12 12 ALA N N 12 128.384 129.093 -0.709 1 1 64 . 18 1 1 A 12 12 ALA H H 12 8.974 8.874 0.100 1 1 65 . 18 1 1 A 12 12 ALA CA C 12 52.878 51.971 0.907 1 1 66 . 18 1 1 A 12 12 ALA HA H 12 4.271 4.352 -0.081 1 1 67 . 18 1 1 A 12 12 ALA CB C 12 21.024 18.258 2.766 1 1 71 . 18 1 1 A 12 12 ALA C C 12 179.524 178.007 1.517 1 1 72 . 18 1 1 A 13 13 LEU N N 13 126.125 127.084 -0.959 1 1 73 . 18 1 1 A 13 13 LEU H H 13 9.490 8.288 1.202 1 1 74 . 18 1 1 A 13 13 LEU CA C 13 55.697 56.986 -1.289 1 1 75 . 18 1 1 A 13 13 LEU HA H 13 4.258 4.107 0.151 1 1 76 . 18 1 1 A 13 13 LEU CB C 13 43.073 42.241 0.832 1 1 89 . 18 1 1 A 13 13 LEU C C 13 175.705 176.774 -1.069 1 1 90 . 18 1 1 A 14 14 LEU N N 14 116.229 113.464 2.765 1 1 91 . 18 1 1 A 14 14 LEU H H 14 7.638 7.738 -0.100 1 1 92 . 18 1 1 A 14 14 LEU CA C 14 53.715 53.302 0.413 1 1 93 . 18 1 1 A 14 14 LEU HA H 14 4.436 4.849 -0.413 1 1 94 . 18 1 1 A 14 14 LEU CB C 14 45.286 45.203 0.083 1 1 107 . 18 1 1 A 14 14 LEU C C 14 173.987 174.741 -0.754 1 1 108 . 18 1 1 A 15 15 ASP N N 15 116.528 121.682 -5.154 1 1 109 . 18 1 1 A 15 15 ASP H H 15 8.047 8.656 -0.609 1 1 110 . 18 1 1 A 15 15 ASP CA C 15 54.712 54.205 0.507 1 1 111 . 18 1 1 A 15 15 ASP HA H 15 4.628 4.875 -0.247 1 1 112 . 18 1 1 A 15 15 ASP CB C 15 41.437 42.156 -0.719 1 1 115 . 18 1 1 A 16 16 PHE N N 16 123.405 126.289 -2.884 1 1 116 . 18 1 1 A 16 16 PHE H H 16 8.414 8.815 -0.401 1 1 117 . 18 1 1 A 16 16 PHE CA C 16 56.555 55.488 1.067 1 1 118 . 18 1 1 A 16 16 PHE HA H 16 4.576 5.015 -0.439 1 1 119 . 18 1 1 A 16 16 PHE CB C 16 41.647 40.970 0.677 1 1 132 . 18 1 1 A 17 17 GLU N N 17 127.173 127.941 -0.768 1 1 133 . 18 1 1 A 17 17 GLU H H 17 7.775 8.361 -0.586 1 1 134 . 18 1 1 A 17 17 GLU CA C 17 54.469 55.178 -0.709 1 1 135 . 18 1 1 A 17 17 GLU HA H 17 4.025 4.293 -0.268 1 1 136 . 18 1 1 A 17 17 GLU CB C 17 30.119 30.169 -0.050 1 1 142 . 18 1 1 A 17 17 GLU C C 17 174.327 175.145 -0.818 1 1 143 . 18 1 1 A 18 18 ARG N N 18 123.112 124.962 -1.850 1 1 144 . 18 1 1 A 18 18 ARG H H 18 7.721 8.213 -0.492 1 1 145 . 18 1 1 A 18 18 ARG CA C 18 55.738 55.988 -0.250 1 1 146 . 18 1 1 A 18 18 ARG HA H 18 3.665 3.716 -0.051 1 1 147 . 18 1 1 A 18 18 ARG CB C 18 30.846 30.508 0.338 1 1 156 . 18 1 1 A 18 18 ARG C C 18 175.954 176.458 -0.504 1 1 157 . 18 1 1 A 19 19 HIS N N 19 121.992 121.108 0.884 1 1 158 . 18 1 1 A 19 19 HIS H H 19 9.200 8.538 0.662 1 1 159 . 18 1 1 A 19 19 HIS CA C 19 56.774 58.814 -2.040 1 1 160 . 18 1 1 A 19 19 HIS HA H 19 4.612 4.276 0.336 1 1 161 . 18 1 1 A 19 19 HIS CB C 19 30.061 30.660 -0.599 1 1 168 . 18 1 1 A 19 19 HIS C C 19 174.151 174.140 0.011 1 1 169 . 18 1 1 A 20 20 ASP N N 20 119.946 116.233 3.713 1 1 170 . 18 1 1 A 20 20 ASP H H 20 8.160 8.111 0.049 1 1 171 . 18 1 1 A 20 20 ASP CA C 20 53.371 53.281 0.090 1 1 172 . 18 1 1 A 20 20 ASP HA H 20 4.785 4.875 -0.090 1 1 173 . 18 1 1 A 20 20 ASP CB C 20 43.492 42.980 0.512 1 1 176 . 18 1 1 A 20 20 ASP C C 20 176.571 176.729 -0.158 1 1 177 . 18 1 1 A 21 21 ASP N N 21 119.329 122.765 -3.436 1 1 178 . 18 1 1 A 21 21 ASP H H 21 8.686 9.067 -0.381 1 1 179 . 18 1 1 A 21 21 ASP CA C 21 56.641 57.255 -0.614 1 1 180 . 18 1 1 A 21 21 ASP HA H 21 4.439 4.332 0.107 1 1 181 . 18 1 1 A 21 21 ASP CB C 21 40.977 40.125 0.852 1 1 184 . 18 1 1 A 21 21 ASP C C 21 176.619 177.711 -1.092 1 1 185 . 18 1 1 A 22 22 ASP N N 22 116.501 120.320 -3.819 1 1 186 . 18 1 1 A 22 22 ASP H H 22 8.702 8.287 0.415 1 1 187 . 18 1 1 A 22 22 ASP CA C 22 54.535 57.855 -3.320 1 1 188 . 18 1 1 A 22 22 ASP HA H 22 4.769 4.433 0.336 1 1 189 . 18 1 1 A 22 22 ASP CB C 22 40.833 40.484 0.349 1 1 192 . 18 1 1 A 22 22 ASP C C 22 176.139 177.600 -1.461 1 1 193 . 18 1 1 A 23 23 GLU N N 23 119.696 118.090 1.606 1 1 194 . 18 1 1 A 23 23 GLU H H 23 7.540 7.902 -0.362 1 1 195 . 18 1 1 A 23 23 GLU CA C 23 55.398 56.973 -1.575 1 1 196 . 18 1 1 A 23 23 GLU HA H 23 4.519 3.862 0.657 1 1 197 . 18 1 1 A 23 23 GLU CB C 23 32.584 30.114 2.470 1 1 203 . 18 1 1 A 23 23 GLU C C 23 175.760 175.313 0.447 1 1 204 . 18 1 1 A 24 24 LEU N N 24 125.257 124.573 0.684 1 1 205 . 18 1 1 A 24 24 LEU H H 24 8.766 8.928 -0.162 1 1 206 . 18 1 1 A 24 24 LEU CA C 24 53.525 53.934 -0.409 1 1 207 . 18 1 1 A 24 24 LEU HA H 24 4.410 5.096 -0.686 1 1 208 . 18 1 1 A 24 24 LEU CB C 24 44.685 45.061 -0.376 1 1 221 . 18 1 1 A 24 24 LEU C C 24 173.987 175.933 -1.946 1 1 222 . 18 1 1 A 25 25 GLY N N 25 107.345 114.342 -6.997 1 1 223 . 18 1 1 A 25 25 GLY H H 25 7.584 8.972 -1.388 1 1 224 . 18 1 1 A 25 25 GLY CA C 25 44.096 44.822 -0.726 1 1 225 . 18 1 1 A 25 25 GLY HA2 H 25 3.361 3.817 -0.456 1 1 226 . 18 1 1 A 25 25 GLY HA3 H 25 4.260 3.904 0.356 1 1 227 . 18 1 1 A 25 25 GLY C C 25 173.720 172.665 1.055 1 1 228 . 18 1 1 A 26 26 PHE N N 26 114.043 116.237 -2.194 1 1 229 . 18 1 1 A 26 26 PHE H H 26 8.330 8.049 0.281 1 1 230 . 18 1 1 A 26 26 PHE CA C 26 56.440 56.243 0.197 1 1 231 . 18 1 1 A 26 26 PHE HA H 26 4.749 5.152 -0.403 1 1 232 . 18 1 1 A 26 26 PHE CB C 26 40.494 41.232 -0.738 1 1 245 . 18 1 1 A 26 26 PHE C C 26 174.820 172.449 2.371 1 1 246 . 18 1 1 A 27 27 ARG N N 27 120.928 119.393 1.535 1 1 247 . 18 1 1 A 27 27 ARG H H 27 9.597 8.619 0.978 1 1 248 . 18 1 1 A 27 27 ARG CA C 27 53.054 54.060 -1.006 1 1 249 . 18 1 1 A 27 27 ARG HA H 27 4.974 4.901 0.073 1 1 250 . 18 1 1 A 27 27 ARG CB C 27 32.687 33.357 -0.670 1 1 259 . 18 1 1 A 27 27 ARG C C 27 175.511 175.416 0.095 1 1 260 . 18 1 1 A 28 28 LYS N N 28 120.682 122.317 -1.635 1 1 261 . 18 1 1 A 28 28 LYS H H 28 8.922 8.614 0.308 1 1 262 . 18 1 1 A 28 28 LYS CA C 28 59.064 57.627 1.437 1 1 263 . 18 1 1 A 28 28 LYS HA H 28 3.220 4.051 -0.831 1 1 264 . 18 1 1 A 28 28 LYS CB C 28 32.826 32.643 0.183 1 1 276 . 18 1 1 A 28 28 LYS C C 28 177.019 177.271 -0.252 1 1 277 . 18 1 1 A 29 29 ASN N N 29 117.470 118.947 -1.477 1 1 278 . 18 1 1 A 29 29 ASN H H 29 8.728 9.323 -0.595 1 1 279 . 18 1 1 A 29 29 ASN CA C 29 56.477 54.309 2.168 1 1 280 . 18 1 1 A 29 29 ASN HA H 29 4.148 4.316 -0.168 1 1 281 . 18 1 1 A 29 29 ASN CB C 29 37.170 37.352 -0.182 1 1 287 . 18 1 1 A 29 29 ASN C C 29 174.716 173.586 1.130 1 1 288 . 18 1 1 A 30 30 ASP N N 30 122.549 116.370 6.179 1 1 289 . 18 1 1 A 30 30 ASP H H 30 8.527 7.697 0.830 1 1 290 . 18 1 1 A 30 30 ASP CA C 30 56.167 52.781 3.386 1 1 291 . 18 1 1 A 30 30 ASP HA H 30 4.596 5.150 -0.554 1 1 292 . 18 1 1 A 30 30 ASP CB C 30 41.797 43.481 -1.684 1 1 295 . 18 1 1 A 30 30 ASP C C 30 175.177 175.233 -0.056 1 1 296 . 18 1 1 A 31 31 ILE N N 31 119.187 122.671 -3.484 1 1 297 . 18 1 1 A 31 31 ILE H H 31 8.267 8.700 -0.433 1 1 298 . 18 1 1 A 31 31 ILE CA C 31 59.191 60.305 -1.114 1 1 299 . 18 1 1 A 31 31 ILE HA H 31 4.819 4.719 0.100 1 1 300 . 18 1 1 A 31 31 ILE CB C 31 36.702 38.707 -2.005 1 1 313 . 18 1 1 A 31 31 ILE C C 31 175.437 175.542 -0.105 1 1 314 . 18 1 1 A 32 32 ILE N N 32 129.566 128.308 1.258 1 1 315 . 18 1 1 A 32 32 ILE H H 32 9.247 8.917 0.330 1 1 316 . 18 1 1 A 32 32 ILE CA C 32 60.211 59.367 0.844 1 1 317 . 18 1 1 A 32 32 ILE HA H 32 4.140 4.786 -0.646 1 1 318 . 18 1 1 A 32 32 ILE CB C 32 41.978 40.759 1.219 1 1 331 . 18 1 1 A 32 32 ILE C C 32 176.197 175.212 0.985 1 1 332 . 18 1 1 A 33 33 THR N N 33 123.061 122.100 0.961 1 1 333 . 18 1 1 A 33 33 THR H H 33 8.741 8.377 0.364 1 1 334 . 18 1 1 A 33 33 THR CA C 33 63.117 63.002 0.115 1 1 335 . 18 1 1 A 33 33 THR HA H 33 4.583 4.487 0.096 1 1 336 . 18 1 1 A 33 33 THR CB C 33 69.626 69.417 0.209 1 1 342 . 18 1 1 A 33 33 THR C C 33 174.011 174.226 -0.215 1 1 343 . 18 1 1 A 34 34 ILE N N 34 128.281 126.181 2.100 1 1 344 . 18 1 1 A 34 34 ILE H H 34 9.110 8.806 0.304 1 1 345 . 18 1 1 A 34 34 ILE CA C 34 61.566 60.514 1.052 1 1 346 . 18 1 1 A 34 34 ILE HA H 34 4.117 4.517 -0.400 1 1 347 . 18 1 1 A 34 34 ILE CB C 34 36.785 38.129 -1.344 1 1 360 . 18 1 1 A 34 34 ILE C C 34 175.420 175.444 -0.024 1 1 361 . 18 1 1 A 35 35 ILE N N 35 128.859 129.795 -0.936 1 1 362 . 18 1 1 A 35 35 ILE H H 35 9.359 8.961 0.398 1 1 363 . 18 1 1 A 35 35 ILE CA C 35 60.949 62.949 -2.000 1 1 364 . 18 1 1 A 35 35 ILE HA H 35 4.224 4.066 0.158 1 1 365 . 18 1 1 A 35 35 ILE CB C 35 38.186 38.199 -0.013 1 1 378 . 18 1 1 A 35 35 ILE C C 35 176.253 175.717 0.536 1 1 379 . 18 1 1 A 36 36 SER N N 36 111.665 113.812 -2.147 1 1 380 . 18 1 1 A 36 36 SER H H 36 7.882 7.723 0.159 1 1 381 . 18 1 1 A 36 36 SER CA C 36 57.605 56.342 1.263 1 1 382 . 18 1 1 A 36 36 SER HA H 36 4.525 4.814 -0.289 1 1 383 . 18 1 1 A 36 36 SER CB C 36 64.435 66.357 -1.922 1 1 386 . 18 1 1 A 36 36 SER C C 36 172.845 172.372 0.473 1 1 387 . 18 1 1 A 37 37 GLN N N 37 116.906 121.849 -4.943 1 1 388 . 18 1 1 A 37 37 GLN H H 37 8.055 8.477 -0.422 1 1 389 . 18 1 1 A 37 37 GLN CA C 37 54.718 54.090 0.628 1 1 390 . 18 1 1 A 37 37 GLN HA H 37 4.420 4.965 -0.545 1 1 391 . 18 1 1 A 37 37 GLN CB C 37 29.381 30.698 -1.317 1 1 400 . 18 1 1 A 37 37 GLN C C 37 175.080 175.924 -0.844 1 1 401 . 18 1 1 A 38 38 LYS N N 38 124.909 125.080 -0.171 1 1 402 . 18 1 1 A 38 38 LYS H H 38 8.046 8.836 -0.790 1 1 403 . 18 1 1 A 38 38 LYS CA C 38 58.998 58.118 0.880 1 1 404 . 18 1 1 A 38 38 LYS HA H 38 4.076 4.273 -0.197 1 1 405 . 18 1 1 A 38 38 LYS CB C 38 33.116 32.889 0.227 1 1 417 . 18 1 1 A 38 38 LYS C C 38 176.508 176.331 0.177 1 1 418 . 18 1 1 A 39 39 ASP N N 39 117.133 115.564 1.569 1 1 419 . 18 1 1 A 39 39 ASP H H 39 8.296 7.938 0.358 1 1 420 . 18 1 1 A 39 39 ASP CA C 39 53.294 53.228 0.066 1 1 421 . 18 1 1 A 39 39 ASP HA H 39 4.558 4.913 -0.355 1 1 422 . 18 1 1 A 39 39 ASP CB C 39 41.847 43.246 -1.399 1 1 425 . 18 1 1 A 39 39 ASP C C 39 175.201 175.982 -0.781 1 1 426 . 18 1 1 A 40 40 GLU N N 40 116.223 121.138 -4.915 1 1 427 . 18 1 1 A 40 40 GLU H H 40 8.564 9.079 -0.515 1 1 428 . 18 1 1 A 40 40 GLU CA C 40 58.748 59.647 -0.899 1 1 429 . 18 1 1 A 40 40 GLU HA H 40 4.088 4.266 -0.178 1 1 430 . 18 1 1 A 40 40 GLU CB C 40 29.696 29.150 0.546 1 1 436 . 18 1 1 A 40 40 GLU C C 40 176.367 178.486 -2.119 1 1 437 . 18 1 1 A 41 41 HIS N N 41 114.612 115.771 -1.159 1 1 438 . 18 1 1 A 41 41 HIS H H 41 8.383 7.637 0.746 1 1 439 . 18 1 1 A 41 41 HIS CA C 41 56.873 58.550 -1.677 1 1 440 . 18 1 1 A 41 41 HIS HA H 41 4.613 4.277 0.336 1 1 441 . 18 1 1 A 41 41 HIS CB C 41 32.910 29.969 2.941 1 1 448 . 18 1 1 A 41 41 HIS C C 41 176.755 175.632 1.123 1 1 449 . 18 1 1 A 42 42 CYS N N 42 122.290 115.728 6.562 1 1 450 . 18 1 1 A 42 42 CYS H H 42 8.337 7.832 0.505 1 1 451 . 18 1 1 A 42 42 CYS CA C 42 58.168 57.692 0.476 1 1 452 . 18 1 1 A 42 42 CYS HA H 42 4.885 5.026 -0.141 1 1 453 . 18 1 1 A 42 42 CYS CB C 42 29.227 31.799 -2.572 1 1 456 . 18 1 1 A 42 42 CYS C C 42 172.892 173.109 -0.217 1 1 457 . 18 1 1 A 43 43 TRP N N 43 127.114 122.594 4.520 1 1 458 . 18 1 1 A 43 43 TRP H H 43 8.333 9.017 -0.684 1 1 459 . 18 1 1 A 43 43 TRP CA C 43 53.262 55.471 -2.209 1 1 460 . 18 1 1 A 43 43 TRP HA H 43 5.307 5.264 0.043 1 1 461 . 18 1 1 A 43 43 TRP CB C 43 33.323 33.647 -0.324 1 1 476 . 18 1 1 A 43 43 TRP C C 43 173.064 175.064 -2.000 1 1 477 . 18 1 1 A 44 44 VAL N N 44 117.650 119.900 -2.250 1 1 478 . 18 1 1 A 44 44 VAL H H 44 8.591 8.792 -0.201 1 1 479 . 18 1 1 A 44 44 VAL CA C 44 61.801 60.947 0.854 1 1 480 . 18 1 1 A 44 44 VAL HA H 44 4.739 5.016 -0.277 1 1 481 . 18 1 1 A 44 44 VAL CB C 44 32.962 34.656 -1.694 1 1 491 . 18 1 1 A 44 44 VAL C C 44 176.980 175.114 1.866 1 1 492 . 18 1 1 A 45 45 GLY N N 45 115.010 114.761 0.249 1 1 493 . 18 1 1 A 45 45 GLY H H 45 9.469 8.627 0.842 1 1 494 . 18 1 1 A 45 45 GLY CA C 45 45.159 45.064 0.095 1 1 495 . 18 1 1 A 45 45 GLY HA2 H 45 3.769 4.407 -0.638 1 1 496 . 18 1 1 A 45 45 GLY HA3 H 45 5.478 4.634 0.844 1 1 497 . 18 1 1 A 45 45 GLY C C 45 170.022 172.611 -2.589 1 1 498 . 18 1 1 A 46 46 GLU N N 46 118.202 120.547 -2.345 1 1 499 . 18 1 1 A 46 46 GLU H H 46 9.072 9.075 -0.003 1 1 500 . 18 1 1 A 46 46 GLU CA C 46 54.226 55.538 -1.312 1 1 501 . 18 1 1 A 46 46 GLU HA H 46 5.720 5.579 0.141 1 1 502 . 18 1 1 A 46 46 GLU CB C 46 34.724 32.709 2.015 1 1 508 . 18 1 1 A 46 46 GLU C C 46 174.843 174.715 0.128 1 1 509 . 18 1 1 A 47 47 LEU N N 47 125.182 126.835 -1.653 1 1 510 . 18 1 1 A 47 47 LEU H H 47 8.880 8.681 0.199 1 1 511 . 18 1 1 A 47 47 LEU CA C 47 55.064 53.949 1.115 1 1 512 . 18 1 1 A 47 47 LEU HA H 47 4.711 4.617 0.094 1 1 513 . 18 1 1 A 47 47 LEU CB C 47 45.900 45.220 0.680 1 1 526 . 18 1 1 A 47 47 LEU C C 47 176.130 175.225 0.905 1 1 527 . 18 1 1 A 48 48 ASN N N 48 127.515 124.558 2.957 1 1 528 . 18 1 1 A 48 48 ASN H H 48 9.796 9.347 0.449 1 1 529 . 18 1 1 A 48 48 ASN CA C 48 54.407 54.524 -0.117 1 1 530 . 18 1 1 A 48 48 ASN HA H 48 4.457 4.500 -0.043 1 1 531 . 18 1 1 A 48 48 ASN CB C 48 37.546 37.306 0.240 1 1 537 . 18 1 1 A 48 48 ASN C C 48 174.935 175.626 -0.691 1 1 538 . 18 1 1 A 49 49 GLY N N 49 104.068 104.214 -0.146 1 1 539 . 18 1 1 A 49 49 GLY H H 49 8.891 8.709 0.182 1 1 540 . 18 1 1 A 49 49 GLY CA C 49 45.471 46.294 -0.823 1 1 541 . 18 1 1 A 49 49 GLY HA2 H 49 3.621 3.937 -0.316 1 1 542 . 18 1 1 A 49 49 GLY HA3 H 49 4.230 3.941 0.289 1 1 543 . 18 1 1 A 49 49 GLY C C 49 173.671 173.836 -0.165 1 1 544 . 18 1 1 A 50 50 LEU N N 50 122.996 120.179 2.817 1 1 545 . 18 1 1 A 50 50 LEU H H 50 7.818 7.689 0.129 1 1 546 . 18 1 1 A 50 50 LEU CA C 50 53.971 53.231 0.740 1 1 547 . 18 1 1 A 50 50 LEU HA H 50 4.727 4.998 -0.271 1 1 548 . 18 1 1 A 50 50 LEU CB C 50 43.482 46.007 -2.525 1 1 561 . 18 1 1 A 50 50 LEU C C 50 174.930 175.639 -0.709 1 1 562 . 18 1 1 A 51 51 ARG N N 51 119.072 122.540 -3.468 1 1 563 . 18 1 1 A 51 51 ARG H H 51 8.410 8.700 -0.290 1 1 564 . 18 1 1 A 51 51 ARG CA C 51 54.020 55.013 -0.993 1 1 565 . 18 1 1 A 51 51 ARG HA H 51 5.843 5.325 0.518 1 1 566 . 18 1 1 A 51 51 ARG CB C 51 34.724 33.442 1.282 1 1 575 . 18 1 1 A 51 51 ARG C C 51 176.707 175.208 1.499 1 1 576 . 18 1 1 A 52 52 GLY N N 52 109.058 112.206 -3.148 1 1 577 . 18 1 1 A 52 52 GLY H H 52 8.661 8.305 0.356 1 1 578 . 18 1 1 A 52 52 GLY CA C 52 45.683 45.877 -0.194 1 1 579 . 18 1 1 A 52 52 GLY HA2 H 52 3.975 4.431 -0.456 1 1 580 . 18 1 1 A 52 52 GLY HA3 H 52 4.248 4.441 -0.193 1 1 581 . 18 1 1 A 52 52 GLY C C 52 171.261 172.985 -1.724 1 1 582 . 18 1 1 A 53 53 TRP N N 53 119.558 119.064 0.494 1 1 583 . 18 1 1 A 53 53 TRP H H 53 8.825 8.974 -0.149 1 1 584 . 18 1 1 A 53 53 TRP CA C 53 55.402 54.558 0.844 1 1 585 . 18 1 1 A 53 53 TRP HA H 53 6.222 6.072 0.150 1 1 586 . 18 1 1 A 53 53 TRP CB C 53 31.856 32.886 -1.030 1 1 601 . 18 1 1 A 53 53 TRP C C 53 176.100 174.482 1.618 1 1 602 . 18 1 1 A 54 54 PHE N N 54 115.426 116.050 -0.624 1 1 603 . 18 1 1 A 54 54 PHE H H 54 8.976 8.701 0.275 1 1 604 . 18 1 1 A 54 54 PHE CA C 54 55.805 55.713 0.092 1 1 605 . 18 1 1 A 54 54 PHE HA H 54 4.833 4.873 -0.040 1 1 606 . 18 1 1 A 54 54 PHE CB C 54 39.295 39.553 -0.258 1 1 619 . 18 1 1 A 54 54 PHE C C 54 171.898 171.893 0.005 1 1 620 . 18 1 1 A 55 55 PRO CA C 55 61.963 62.679 -0.716 1 1 621 . 18 1 1 A 55 55 PRO HA H 55 4.654 4.841 -0.187 1 1 622 . 18 1 1 A 55 55 PRO CB C 55 31.179 31.465 -0.286 1 1 631 . 18 1 1 A 55 55 PRO C C 55 177.168 177.836 -0.668 1 1 632 . 18 1 1 A 56 56 ALA N N 56 130.132 128.348 1.784 1 1 633 . 18 1 1 A 56 56 ALA H H 56 7.818 8.025 -0.207 1 1 634 . 18 1 1 A 56 56 ALA CA C 56 55.045 55.100 -0.055 1 1 635 . 18 1 1 A 56 56 ALA HA H 56 3.032 4.035 -1.003 1 1 636 . 18 1 1 A 56 56 ALA CB C 56 16.542 17.273 -0.731 1 1 640 . 18 1 1 A 56 56 ALA C C 56 178.595 179.578 -0.983 1 1 641 . 18 1 1 A 57 57 LYS N N 57 110.974 115.800 -4.826 1 1 642 . 18 1 1 A 57 57 LYS H H 57 8.024 8.055 -0.031 1 1 643 . 18 1 1 A 57 57 LYS CA C 57 57.118 58.753 -1.635 1 1 644 . 18 1 1 A 57 57 LYS HA H 57 4.213 4.069 0.144 1 1 645 . 18 1 1 A 57 57 LYS CB C 57 31.641 31.967 -0.326 1 1 657 . 18 1 1 A 57 57 LYS C C 57 177.053 178.369 -1.316 1 1 658 . 18 1 1 A 58 58 PHE N N 58 118.768 118.210 0.558 1 1 659 . 18 1 1 A 58 58 PHE H H 58 7.911 7.965 -0.054 1 1 660 . 18 1 1 A 58 58 PHE CA C 58 56.933 61.271 -4.338 1 1 661 . 18 1 1 A 58 58 PHE HA H 58 4.739 4.266 0.473 1 1 662 . 18 1 1 A 58 58 PHE CB C 58 38.643 39.226 -0.583 1 1 675 . 18 1 1 A 58 58 PHE C C 58 174.837 175.850 -1.013 1 1 676 . 18 1 1 A 59 59 VAL N N 59 109.843 113.852 -4.009 1 1 677 . 18 1 1 A 59 59 VAL H H 59 7.796 7.530 0.266 1 1 678 . 18 1 1 A 59 59 VAL CA C 59 58.332 59.662 -1.330 1 1 679 . 18 1 1 A 59 59 VAL HA H 59 5.333 4.815 0.518 1 1 680 . 18 1 1 A 59 59 VAL CB C 59 35.704 34.661 1.043 1 1 690 . 18 1 1 A 59 59 VAL C C 59 173.452 174.216 -0.764 1 1 691 . 18 1 1 A 60 60 GLU N N 60 119.932 120.821 -0.889 1 1 692 . 18 1 1 A 60 60 GLU H H 60 8.699 8.889 -0.190 1 1 693 . 18 1 1 A 60 60 GLU CA C 60 54.202 54.679 -0.477 1 1 694 . 18 1 1 A 60 60 GLU HA H 60 4.863 5.180 -0.317 1 1 695 . 18 1 1 A 60 60 GLU CB C 60 33.573 33.144 0.429 1 1 701 . 18 1 1 A 60 60 GLU C C 60 176.100 175.794 0.306 1 1 702 . 18 1 1 A 61 61 VAL N N 61 127.661 127.040 0.621 1 1 703 . 18 1 1 A 61 61 VAL H H 61 9.107 8.738 0.369 1 1 704 . 18 1 1 A 61 61 VAL CA C 61 64.612 63.175 1.437 1 1 705 . 18 1 1 A 61 61 VAL HA H 61 3.957 4.354 -0.397 1 1 706 . 18 1 1 A 61 61 VAL CB C 61 31.875 32.438 -0.563 1 1 716 . 18 1 1 A 61 61 VAL C C 61 176.294 175.301 0.993 1 1 717 . 18 1 1 A 62 62 LEU N N 62 128.512 126.146 2.366 1 1 718 . 18 1 1 A 62 62 LEU H H 62 8.777 8.274 0.503 1 1 719 . 18 1 1 A 62 62 LEU CA C 62 54.677 53.585 1.092 1 1 720 . 18 1 1 A 62 62 LEU HA H 62 4.456 5.103 -0.647 1 1 721 . 18 1 1 A 62 62 LEU CB C 62 42.548 45.799 -3.251 1 1 734 . 18 1 1 A 62 62 LEU C C 62 176.888 175.291 1.597 1 1 735 . 18 1 1 A 63 63 ASP N N 63 122.605 124.079 -1.474 1 1 736 . 18 1 1 A 63 63 ASP H H 63 8.588 8.829 -0.241 1 1 737 . 18 1 1 A 63 63 ASP CA C 63 53.971 52.725 1.246 1 1 738 . 18 1 1 A 63 63 ASP HA H 63 4.643 5.210 -0.567 1 1 739 . 18 1 1 A 63 63 ASP CB C 63 41.629 41.994 -0.365 1 1 742 . 18 1 1 A 63 63 ASP C C 63 176.460 175.772 0.688 1 1 743 . 18 1 1 A 64 64 GLU N N 64 122.614 126.189 -3.575 1 1 744 . 18 1 1 A 64 64 GLU H H 64 8.634 8.495 0.139 1 1 745 . 18 1 1 A 64 64 GLU CA C 64 57.086 57.046 0.040 1 1 746 . 18 1 1 A 64 64 GLU HA H 64 4.158 4.324 -0.166 1 1 747 . 18 1 1 A 64 64 GLU CB C 64 30.055 30.680 -0.625 1 1 753 . 18 1 1 A 64 64 GLU C C 64 176.801 176.385 0.416 1 1 754 . 18 1 1 A 65 65 ARG N N 65 120.526 121.292 -0.766 1 1 755 . 18 1 1 A 65 65 ARG H H 65 8.416 8.511 -0.095 1 1 756 . 18 1 1 A 65 65 ARG CA C 65 56.430 55.727 0.703 1 1 757 . 18 1 1 A 65 65 ARG HA H 65 4.323 4.405 -0.082 1 1 758 . 18 1 1 A 65 65 ARG CB C 65 30.493 31.061 -0.568 1 1 767 . 18 1 1 A 65 65 ARG C C 65 176.896 176.112 0.784 1 1 768 . 18 1 1 A 66 66 SER N N 66 116.214 115.288 0.926 1 1 769 . 18 1 1 A 66 66 SER H H 66 8.225 8.990 -0.765 1 1 770 . 18 1 1 A 66 66 SER CA C 66 58.732 58.991 -0.259 1 1 771 . 18 1 1 A 66 66 SER HA H 66 4.799 4.060 0.739 1 1 772 . 18 1 1 A 66 66 SER CB C 66 63.879 61.979 1.900 1 1 775 . 18 1 1 A 66 66 SER C C 66 175.225 173.623 1.602 1 1 776 . 18 1 1 A 67 67 LYS CA C 67 56.993 55.394 1.599 1 1 777 . 18 1 1 A 67 67 LYS HA H 67 4.270 5.166 -0.896 1 1 778 . 18 1 1 A 67 67 LYS CB C 67 32.724 35.014 -2.290 1 1 790 . 18 1 1 A 68 68 GLU N N 68 120.561 125.720 -5.159 1 1 791 . 18 1 1 A 68 68 GLU H H 68 8.417 8.792 -0.375 1 1 792 . 18 1 1 A 68 68 GLU CA C 68 57.144 56.749 0.395 1 1 793 . 18 1 1 A 68 68 GLU HA H 68 4.193 4.692 -0.499 1 1 794 . 18 1 1 A 68 68 GLU CB C 68 30.025 32.146 -2.121 1 1 800 . 18 1 1 A 68 68 GLU C C 68 176.828 174.052 2.776 1 1 801 . 18 1 1 A 69 69 TYR N N 69 120.399 127.765 -7.366 1 1 802 . 18 1 1 A 69 69 TYR H H 69 8.027 9.281 -1.254 1 1 803 . 18 1 1 A 69 69 TYR CA C 69 58.296 56.715 1.581 1 1 804 . 18 1 1 A 69 69 TYR HA H 69 4.504 5.288 -0.784 1 1 805 . 18 1 1 A 69 69 TYR CB C 69 38.965 39.675 -0.710 1 1 816 . 18 1 1 A 69 69 TYR C C 69 176.367 174.673 1.694 1 1 817 . 18 1 1 A 70 70 SER N N 70 117.031 118.574 -1.543 1 1 818 . 18 1 1 A 70 70 SER H H 70 8.067 8.841 -0.774 1 1 819 . 18 1 1 A 70 70 SER CA C 70 58.167 56.507 1.660 1 1 820 . 18 1 1 A 70 70 SER HA H 70 4.441 4.918 -0.477 1 1 821 . 18 1 1 A 70 70 SER CB C 70 63.911 65.800 -1.889 1 1 824 . 18 1 1 A 70 70 SER C C 70 174.448 173.052 1.396 1 1 825 . 18 1 1 A 71 71 ILE N N 71 122.402 120.310 2.092 1 1 826 . 18 1 1 A 71 71 ILE H H 71 8.083 8.291 -0.208 1 1 827 . 18 1 1 A 71 71 ILE CA C 71 61.411 59.647 1.764 1 1 828 . 18 1 1 A 71 71 ILE HA H 71 4.161 4.335 -0.174 1 1 829 . 18 1 1 A 71 71 ILE CB C 71 38.779 39.864 -1.085 1 1 842 . 18 1 1 A 71 71 ILE C C 71 176.172 175.910 0.262 1 1 843 . 18 1 1 A 72 72 ALA N N 72 127.574 125.451 2.123 1 1 844 . 18 1 1 A 72 72 ALA H H 72 8.306 8.403 -0.097 1 1 845 . 18 1 1 A 72 72 ALA CA C 72 52.631 52.083 0.548 1 1 846 . 18 1 1 A 72 72 ALA HA H 72 4.366 4.486 -0.120 1 1 847 . 18 1 1 A 72 72 ALA CB C 72 19.242 18.426 0.816 1 1 851 . 18 1 1 A 72 72 ALA C C 72 177.702 177.064 0.638 1 1 852 . 18 1 1 A 73 73 SER N N 73 115.199 116.280 -1.081 1 1 853 . 18 1 1 A 73 73 SER H H 73 8.223 8.387 -0.164 1 1 854 . 18 1 1 A 73 73 SER CA C 73 58.285 56.454 1.831 1 1 855 . 18 1 1 A 73 73 SER HA H 73 4.471 5.272 -0.801 1 1 856 . 18 1 1 A 73 73 SER CB C 73 64.233 65.975 -1.742 1 1 859 . 18 1 1 A 73 73 SER C C 73 174.639 173.690 0.949 1 1 860 . 18 1 1 A 74 74 GLY N N 74 110.616 109.362 1.254 1 1 861 . 18 1 1 A 74 74 GLY H H 74 8.185 8.638 -0.453 1 1 862 . 18 1 1 A 74 74 GLY CA C 74 44.677 44.333 0.344 1 1 863 . 18 1 1 A 74 74 GLY HA2 H 74 4.171 4.238 -0.067 1 1 864 . 18 1 1 A 74 74 GLY HA3 H 74 4.107 4.238 -0.131 1 1 865 . 18 1 1 A 74 74 GLY C C 74 171.850 174.643 -2.793 1 1 866 . 18 1 1 A 75 75 PRO CA C 75 63.266 63.584 -0.318 1 1 867 . 18 1 1 A 75 75 PRO HA H 75 4.487 4.546 -0.059 1 1 868 . 18 1 1 A 75 75 PRO CB C 75 32.196 31.972 0.224 1 1 877 . 18 1 1 A 76 76 SER N N 76 116.439 114.021 2.418 1 1 878 . 18 1 1 A 76 76 SER H H 76 8.562 7.651 0.911 1 1 879 . 18 1 1 A 76 76 SER CA C 76 58.747 59.740 -0.993 1 1 880 . 18 1 1 A 76 76 SER CB C 76 64.105 62.754 1.351 1 1 1 . 19 1 1 A 6 6 SER CA C 6 58.690 59.841 -1.151 1 1 2 . 19 1 1 A 6 6 SER HA H 6 4.411 4.254 0.157 1 1 3 . 19 1 1 A 7 7 GLY N N 7 110.826 113.580 -2.754 1 1 4 . 19 1 1 A 7 7 GLY H H 7 8.436 8.714 -0.278 1 1 5 . 19 1 1 A 7 7 GLY CA C 7 45.315 44.871 0.444 1 1 6 . 19 1 1 A 7 7 GLY HA2 H 7 4.029 4.313 -0.284 1 1 7 . 19 1 1 A 7 7 GLY HA3 H 7 3.918 4.322 -0.404 1 1 8 . 19 1 1 A 7 7 GLY C C 7 173.788 171.620 2.168 1 1 9 . 19 1 1 A 8 8 ARG N N 8 120.458 125.379 -4.921 1 1 10 . 19 1 1 A 8 8 ARG H H 8 8.272 8.770 -0.498 1 1 11 . 19 1 1 A 8 8 ARG CA C 8 55.715 54.024 1.691 1 1 12 . 19 1 1 A 8 8 ARG HA H 8 4.500 5.051 -0.551 1 1 13 . 19 1 1 A 8 8 ARG CB C 8 31.541 33.431 -1.890 1 1 22 . 19 1 1 A 8 8 ARG C C 8 175.201 174.835 0.366 1 1 23 . 19 1 1 A 9 9 ARG N N 9 121.537 119.952 1.585 1 1 24 . 19 1 1 A 9 9 ARG H H 9 8.879 8.439 0.440 1 1 25 . 19 1 1 A 9 9 ARG CA C 9 54.737 54.322 0.415 1 1 26 . 19 1 1 A 9 9 ARG HA H 9 5.288 5.376 -0.088 1 1 27 . 19 1 1 A 9 9 ARG CB C 9 34.064 34.579 -0.515 1 1 36 . 19 1 1 A 9 9 ARG C C 9 174.910 174.439 0.471 1 1 37 . 19 1 1 A 10 10 ALA N N 10 122.000 122.920 -0.920 1 1 38 . 19 1 1 A 10 10 ALA H H 10 9.200 8.462 0.738 1 1 39 . 19 1 1 A 10 10 ALA CA C 10 50.229 50.392 -0.163 1 1 40 . 19 1 1 A 10 10 ALA HA H 10 5.143 5.590 -0.447 1 1 41 . 19 1 1 A 10 10 ALA CB C 10 23.552 23.673 -0.121 1 1 45 . 19 1 1 A 10 10 ALA C C 10 173.920 174.545 -0.625 1 1 46 . 19 1 1 A 11 11 LYS N N 11 121.984 121.604 0.380 1 1 47 . 19 1 1 A 11 11 LYS H H 11 8.962 8.902 0.060 1 1 48 . 19 1 1 A 11 11 LYS CA C 11 53.936 54.807 -0.871 1 1 49 . 19 1 1 A 11 11 LYS HA H 11 5.043 4.849 0.194 1 1 50 . 19 1 1 A 11 11 LYS CB C 11 35.705 34.510 1.195 1 1 62 . 19 1 1 A 11 11 LYS C C 11 176.193 176.057 0.136 1 1 63 . 19 1 1 A 12 12 ALA N N 12 128.384 129.193 -0.809 1 1 64 . 19 1 1 A 12 12 ALA H H 12 8.974 8.799 0.175 1 1 65 . 19 1 1 A 12 12 ALA CA C 12 52.878 52.137 0.741 1 1 66 . 19 1 1 A 12 12 ALA HA H 12 4.271 4.359 -0.088 1 1 67 . 19 1 1 A 12 12 ALA CB C 12 21.024 18.466 2.558 1 1 71 . 19 1 1 A 12 12 ALA C C 12 179.524 178.061 1.463 1 1 72 . 19 1 1 A 13 13 LEU N N 13 126.125 126.806 -0.681 1 1 73 . 19 1 1 A 13 13 LEU H H 13 9.490 8.297 1.193 1 1 74 . 19 1 1 A 13 13 LEU CA C 13 55.697 56.701 -1.004 1 1 75 . 19 1 1 A 13 13 LEU HA H 13 4.258 4.139 0.119 1 1 76 . 19 1 1 A 13 13 LEU CB C 13 43.073 42.773 0.300 1 1 89 . 19 1 1 A 13 13 LEU C C 13 175.705 176.886 -1.181 1 1 90 . 19 1 1 A 14 14 LEU N N 14 116.229 113.855 2.374 1 1 91 . 19 1 1 A 14 14 LEU H H 14 7.638 7.744 -0.106 1 1 92 . 19 1 1 A 14 14 LEU CA C 14 53.715 53.675 0.040 1 1 93 . 19 1 1 A 14 14 LEU HA H 14 4.436 4.862 -0.426 1 1 94 . 19 1 1 A 14 14 LEU CB C 14 45.286 44.603 0.683 1 1 107 . 19 1 1 A 14 14 LEU C C 14 173.987 174.718 -0.731 1 1 108 . 19 1 1 A 15 15 ASP N N 15 116.528 121.342 -4.814 1 1 109 . 19 1 1 A 15 15 ASP H H 15 8.047 8.647 -0.600 1 1 110 . 19 1 1 A 15 15 ASP CA C 15 54.712 53.872 0.840 1 1 111 . 19 1 1 A 15 15 ASP HA H 15 4.628 5.101 -0.473 1 1 112 . 19 1 1 A 15 15 ASP CB C 15 41.437 42.400 -0.963 1 1 115 . 19 1 1 A 16 16 PHE N N 16 123.405 126.678 -3.273 1 1 116 . 19 1 1 A 16 16 PHE H H 16 8.414 8.733 -0.319 1 1 117 . 19 1 1 A 16 16 PHE CA C 16 56.555 55.209 1.346 1 1 118 . 19 1 1 A 16 16 PHE HA H 16 4.576 5.005 -0.429 1 1 119 . 19 1 1 A 16 16 PHE CB C 16 41.647 40.677 0.970 1 1 132 . 19 1 1 A 17 17 GLU N N 17 127.173 126.179 0.994 1 1 133 . 19 1 1 A 17 17 GLU H H 17 7.775 8.446 -0.671 1 1 134 . 19 1 1 A 17 17 GLU CA C 17 54.469 55.119 -0.650 1 1 135 . 19 1 1 A 17 17 GLU HA H 17 4.025 4.304 -0.279 1 1 136 . 19 1 1 A 17 17 GLU CB C 17 30.119 29.487 0.632 1 1 142 . 19 1 1 A 17 17 GLU C C 17 174.327 175.723 -1.396 1 1 143 . 19 1 1 A 18 18 ARG N N 18 123.112 125.153 -2.041 1 1 144 . 19 1 1 A 18 18 ARG H H 18 7.721 8.051 -0.330 1 1 145 . 19 1 1 A 18 18 ARG CA C 18 55.738 56.056 -0.318 1 1 146 . 19 1 1 A 18 18 ARG HA H 18 3.665 3.575 0.090 1 1 147 . 19 1 1 A 18 18 ARG CB C 18 30.846 30.427 0.419 1 1 156 . 19 1 1 A 18 18 ARG C C 18 175.954 176.536 -0.582 1 1 157 . 19 1 1 A 19 19 HIS N N 19 121.992 122.542 -0.550 1 1 158 . 19 1 1 A 19 19 HIS H H 19 9.200 8.388 0.812 1 1 159 . 19 1 1 A 19 19 HIS CA C 19 56.774 56.426 0.348 1 1 160 . 19 1 1 A 19 19 HIS HA H 19 4.612 4.575 0.037 1 1 161 . 19 1 1 A 19 19 HIS CB C 19 30.061 30.133 -0.072 1 1 168 . 19 1 1 A 19 19 HIS C C 19 174.151 174.169 -0.018 1 1 169 . 19 1 1 A 20 20 ASP N N 20 119.946 119.222 0.724 1 1 170 . 19 1 1 A 20 20 ASP H H 20 8.160 7.585 0.575 1 1 171 . 19 1 1 A 20 20 ASP CA C 20 53.371 53.768 -0.397 1 1 172 . 19 1 1 A 20 20 ASP HA H 20 4.785 4.706 0.079 1 1 173 . 19 1 1 A 20 20 ASP CB C 20 43.492 44.023 -0.531 1 1 176 . 19 1 1 A 20 20 ASP C C 20 176.571 175.119 1.452 1 1 177 . 19 1 1 A 21 21 ASP N N 21 119.329 124.449 -5.120 1 1 178 . 19 1 1 A 21 21 ASP H H 21 8.686 9.029 -0.343 1 1 179 . 19 1 1 A 21 21 ASP CA C 21 56.641 56.615 0.026 1 1 180 . 19 1 1 A 21 21 ASP HA H 21 4.439 4.268 0.171 1 1 181 . 19 1 1 A 21 21 ASP CB C 21 40.977 40.619 0.358 1 1 184 . 19 1 1 A 21 21 ASP C C 21 176.619 177.896 -1.277 1 1 185 . 19 1 1 A 22 22 ASP N N 22 116.501 117.853 -1.352 1 1 186 . 19 1 1 A 22 22 ASP H H 22 8.702 7.777 0.925 1 1 187 . 19 1 1 A 22 22 ASP CA C 22 54.535 55.940 -1.405 1 1 188 . 19 1 1 A 22 22 ASP HA H 22 4.769 4.711 0.058 1 1 189 . 19 1 1 A 22 22 ASP CB C 22 40.833 41.544 -0.711 1 1 192 . 19 1 1 A 22 22 ASP C C 22 176.139 177.271 -1.132 1 1 193 . 19 1 1 A 23 23 GLU N N 23 119.696 118.611 1.085 1 1 194 . 19 1 1 A 23 23 GLU H H 23 7.540 7.965 -0.425 1 1 195 . 19 1 1 A 23 23 GLU CA C 23 55.398 57.447 -2.049 1 1 196 . 19 1 1 A 23 23 GLU HA H 23 4.519 4.113 0.406 1 1 197 . 19 1 1 A 23 23 GLU CB C 23 32.584 29.777 2.807 1 1 203 . 19 1 1 A 23 23 GLU C C 23 175.760 176.131 -0.371 1 1 204 . 19 1 1 A 24 24 LEU N N 24 125.257 127.235 -1.978 1 1 205 . 19 1 1 A 24 24 LEU H H 24 8.766 8.579 0.187 1 1 206 . 19 1 1 A 24 24 LEU CA C 24 53.525 54.087 -0.562 1 1 207 . 19 1 1 A 24 24 LEU HA H 24 4.410 4.851 -0.441 1 1 208 . 19 1 1 A 24 24 LEU CB C 24 44.685 43.650 1.035 1 1 221 . 19 1 1 A 24 24 LEU C C 24 173.987 176.176 -2.189 1 1 222 . 19 1 1 A 25 25 GLY N N 25 107.345 114.018 -6.673 1 1 223 . 19 1 1 A 25 25 GLY H H 25 7.584 8.903 -1.319 1 1 224 . 19 1 1 A 25 25 GLY CA C 25 44.096 44.233 -0.137 1 1 225 . 19 1 1 A 25 25 GLY HA2 H 25 3.361 3.820 -0.459 1 1 226 . 19 1 1 A 25 25 GLY HA3 H 25 4.260 3.891 0.369 1 1 227 . 19 1 1 A 25 25 GLY C C 25 173.720 172.883 0.837 1 1 228 . 19 1 1 A 26 26 PHE N N 26 114.043 115.612 -1.569 1 1 229 . 19 1 1 A 26 26 PHE H H 26 8.330 8.086 0.244 1 1 230 . 19 1 1 A 26 26 PHE CA C 26 56.440 56.342 0.098 1 1 231 . 19 1 1 A 26 26 PHE HA H 26 4.749 5.166 -0.417 1 1 232 . 19 1 1 A 26 26 PHE CB C 26 40.494 41.098 -0.604 1 1 245 . 19 1 1 A 26 26 PHE C C 26 174.820 172.433 2.387 1 1 246 . 19 1 1 A 27 27 ARG N N 27 120.928 119.039 1.889 1 1 247 . 19 1 1 A 27 27 ARG H H 27 9.597 8.648 0.949 1 1 248 . 19 1 1 A 27 27 ARG CA C 27 53.054 53.942 -0.888 1 1 249 . 19 1 1 A 27 27 ARG HA H 27 4.974 5.004 -0.030 1 1 250 . 19 1 1 A 27 27 ARG CB C 27 32.687 33.610 -0.923 1 1 259 . 19 1 1 A 27 27 ARG C C 27 175.511 175.614 -0.103 1 1 260 . 19 1 1 A 28 28 LYS N N 28 120.682 122.527 -1.845 1 1 261 . 19 1 1 A 28 28 LYS H H 28 8.922 8.626 0.296 1 1 262 . 19 1 1 A 28 28 LYS CA C 28 59.064 58.148 0.916 1 1 263 . 19 1 1 A 28 28 LYS HA H 28 3.220 4.009 -0.789 1 1 264 . 19 1 1 A 28 28 LYS CB C 28 32.826 32.255 0.571 1 1 276 . 19 1 1 A 28 28 LYS C C 28 177.019 177.266 -0.247 1 1 277 . 19 1 1 A 29 29 ASN N N 29 117.470 118.967 -1.497 1 1 278 . 19 1 1 A 29 29 ASN H H 29 8.728 9.413 -0.685 1 1 279 . 19 1 1 A 29 29 ASN CA C 29 56.477 54.313 2.164 1 1 280 . 19 1 1 A 29 29 ASN HA H 29 4.148 4.267 -0.119 1 1 281 . 19 1 1 A 29 29 ASN CB C 29 37.170 36.848 0.322 1 1 287 . 19 1 1 A 29 29 ASN C C 29 174.716 173.648 1.068 1 1 288 . 19 1 1 A 30 30 ASP N N 30 122.549 116.897 5.652 1 1 289 . 19 1 1 A 30 30 ASP H H 30 8.527 7.676 0.851 1 1 290 . 19 1 1 A 30 30 ASP CA C 30 56.167 52.856 3.311 1 1 291 . 19 1 1 A 30 30 ASP HA H 30 4.596 5.132 -0.536 1 1 292 . 19 1 1 A 30 30 ASP CB C 30 41.797 44.185 -2.388 1 1 295 . 19 1 1 A 30 30 ASP C C 30 175.177 174.901 0.276 1 1 296 . 19 1 1 A 31 31 ILE N N 31 119.187 122.875 -3.688 1 1 297 . 19 1 1 A 31 31 ILE H H 31 8.267 8.656 -0.389 1 1 298 . 19 1 1 A 31 31 ILE CA C 31 59.191 60.471 -1.280 1 1 299 . 19 1 1 A 31 31 ILE HA H 31 4.819 4.773 0.046 1 1 300 . 19 1 1 A 31 31 ILE CB C 31 36.702 39.057 -2.355 1 1 313 . 19 1 1 A 31 31 ILE C C 31 175.437 175.380 0.057 1 1 314 . 19 1 1 A 32 32 ILE N N 32 129.566 127.737 1.829 1 1 315 . 19 1 1 A 32 32 ILE H H 32 9.247 8.821 0.426 1 1 316 . 19 1 1 A 32 32 ILE CA C 32 60.211 59.692 0.519 1 1 317 . 19 1 1 A 32 32 ILE HA H 32 4.140 4.816 -0.676 1 1 318 . 19 1 1 A 32 32 ILE CB C 32 41.978 41.838 0.140 1 1 331 . 19 1 1 A 32 32 ILE C C 32 176.197 174.930 1.267 1 1 332 . 19 1 1 A 33 33 THR N N 33 123.061 122.970 0.091 1 1 333 . 19 1 1 A 33 33 THR H H 33 8.741 8.420 0.321 1 1 334 . 19 1 1 A 33 33 THR CA C 33 63.117 62.604 0.513 1 1 335 . 19 1 1 A 33 33 THR HA H 33 4.583 4.603 -0.020 1 1 336 . 19 1 1 A 33 33 THR CB C 33 69.626 69.700 -0.074 1 1 342 . 19 1 1 A 33 33 THR C C 33 174.011 174.015 -0.004 1 1 343 . 19 1 1 A 34 34 ILE N N 34 128.281 126.798 1.483 1 1 344 . 19 1 1 A 34 34 ILE H H 34 9.110 9.093 0.017 1 1 345 . 19 1 1 A 34 34 ILE CA C 34 61.566 60.666 0.900 1 1 346 . 19 1 1 A 34 34 ILE HA H 34 4.117 4.371 -0.254 1 1 347 . 19 1 1 A 34 34 ILE CB C 34 36.785 37.247 -0.462 1 1 360 . 19 1 1 A 34 34 ILE C C 34 175.420 175.375 0.045 1 1 361 . 19 1 1 A 35 35 ILE N N 35 128.859 129.892 -1.033 1 1 362 . 19 1 1 A 35 35 ILE H H 35 9.359 8.876 0.483 1 1 363 . 19 1 1 A 35 35 ILE CA C 35 60.949 63.140 -2.191 1 1 364 . 19 1 1 A 35 35 ILE HA H 35 4.224 4.085 0.139 1 1 365 . 19 1 1 A 35 35 ILE CB C 35 38.186 38.521 -0.335 1 1 378 . 19 1 1 A 35 35 ILE C C 35 176.253 176.197 0.056 1 1 379 . 19 1 1 A 36 36 SER N N 36 111.665 113.792 -2.127 1 1 380 . 19 1 1 A 36 36 SER H H 36 7.882 7.875 0.007 1 1 381 . 19 1 1 A 36 36 SER CA C 36 57.605 56.733 0.872 1 1 382 . 19 1 1 A 36 36 SER HA H 36 4.525 4.800 -0.275 1 1 383 . 19 1 1 A 36 36 SER CB C 36 64.435 65.354 -0.919 1 1 386 . 19 1 1 A 36 36 SER C C 36 172.845 173.107 -0.262 1 1 387 . 19 1 1 A 37 37 GLN N N 37 116.906 127.577 -10.671 1 1 388 . 19 1 1 A 37 37 GLN H H 37 8.055 8.920 -0.865 1 1 389 . 19 1 1 A 37 37 GLN CA C 37 54.718 54.568 0.150 1 1 390 . 19 1 1 A 37 37 GLN HA H 37 4.420 4.288 0.132 1 1 391 . 19 1 1 A 37 37 GLN CB C 37 29.381 26.477 2.904 1 1 400 . 19 1 1 A 37 37 GLN C C 37 175.080 175.833 -0.753 1 1 401 . 19 1 1 A 38 38 LYS N N 38 124.909 125.917 -1.008 1 1 402 . 19 1 1 A 38 38 LYS H H 38 8.046 8.449 -0.403 1 1 403 . 19 1 1 A 38 38 LYS CA C 38 58.998 59.153 -0.155 1 1 404 . 19 1 1 A 38 38 LYS HA H 38 4.076 3.979 0.097 1 1 405 . 19 1 1 A 38 38 LYS CB C 38 33.116 32.737 0.379 1 1 417 . 19 1 1 A 38 38 LYS C C 38 176.508 175.801 0.707 1 1 418 . 19 1 1 A 39 39 ASP N N 39 117.133 113.389 3.744 1 1 419 . 19 1 1 A 39 39 ASP H H 39 8.296 8.351 -0.055 1 1 420 . 19 1 1 A 39 39 ASP CA C 39 53.294 53.291 0.003 1 1 421 . 19 1 1 A 39 39 ASP HA H 39 4.558 4.946 -0.388 1 1 422 . 19 1 1 A 39 39 ASP CB C 39 41.847 43.151 -1.304 1 1 425 . 19 1 1 A 39 39 ASP C C 39 175.201 176.409 -1.208 1 1 426 . 19 1 1 A 40 40 GLU N N 40 116.223 120.847 -4.624 1 1 427 . 19 1 1 A 40 40 GLU H H 40 8.564 9.031 -0.467 1 1 428 . 19 1 1 A 40 40 GLU CA C 40 58.748 59.608 -0.860 1 1 429 . 19 1 1 A 40 40 GLU HA H 40 4.088 4.270 -0.182 1 1 430 . 19 1 1 A 40 40 GLU CB C 40 29.696 29.438 0.258 1 1 436 . 19 1 1 A 40 40 GLU C C 40 176.367 177.677 -1.310 1 1 437 . 19 1 1 A 41 41 HIS N N 41 114.612 116.351 -1.739 1 1 438 . 19 1 1 A 41 41 HIS H H 41 8.383 7.820 0.563 1 1 439 . 19 1 1 A 41 41 HIS CA C 41 56.873 57.827 -0.954 1 1 440 . 19 1 1 A 41 41 HIS HA H 41 4.613 4.397 0.216 1 1 441 . 19 1 1 A 41 41 HIS CB C 41 32.910 31.324 1.586 1 1 448 . 19 1 1 A 41 41 HIS C C 41 176.755 175.345 1.410 1 1 449 . 19 1 1 A 42 42 CYS N N 42 122.290 115.718 6.572 1 1 450 . 19 1 1 A 42 42 CYS H H 42 8.337 7.778 0.559 1 1 451 . 19 1 1 A 42 42 CYS CA C 42 58.168 58.328 -0.160 1 1 452 . 19 1 1 A 42 42 CYS HA H 42 4.885 4.990 -0.105 1 1 453 . 19 1 1 A 42 42 CYS CB C 42 29.227 31.190 -1.963 1 1 456 . 19 1 1 A 42 42 CYS C C 42 172.892 173.206 -0.314 1 1 457 . 19 1 1 A 43 43 TRP N N 43 127.114 123.669 3.445 1 1 458 . 19 1 1 A 43 43 TRP H H 43 8.333 9.242 -0.909 1 1 459 . 19 1 1 A 43 43 TRP CA C 43 53.262 55.882 -2.620 1 1 460 . 19 1 1 A 43 43 TRP HA H 43 5.307 5.304 0.003 1 1 461 . 19 1 1 A 43 43 TRP CB C 43 33.323 32.178 1.145 1 1 476 . 19 1 1 A 43 43 TRP C C 43 173.064 175.008 -1.944 1 1 477 . 19 1 1 A 44 44 VAL N N 44 117.650 121.470 -3.820 1 1 478 . 19 1 1 A 44 44 VAL H H 44 8.591 8.537 0.054 1 1 479 . 19 1 1 A 44 44 VAL CA C 44 61.801 61.098 0.703 1 1 480 . 19 1 1 A 44 44 VAL HA H 44 4.739 5.061 -0.322 1 1 481 . 19 1 1 A 44 44 VAL CB C 44 32.962 33.319 -0.357 1 1 491 . 19 1 1 A 44 44 VAL C C 44 176.980 175.483 1.497 1 1 492 . 19 1 1 A 45 45 GLY N N 45 115.010 115.179 -0.169 1 1 493 . 19 1 1 A 45 45 GLY H H 45 9.469 9.317 0.152 1 1 494 . 19 1 1 A 45 45 GLY CA C 45 45.159 44.631 0.528 1 1 495 . 19 1 1 A 45 45 GLY HA2 H 45 3.769 4.398 -0.629 1 1 496 . 19 1 1 A 45 45 GLY HA3 H 45 5.478 4.589 0.889 1 1 497 . 19 1 1 A 45 45 GLY C C 45 170.022 172.645 -2.623 1 1 498 . 19 1 1 A 46 46 GLU N N 46 118.202 120.478 -2.276 1 1 499 . 19 1 1 A 46 46 GLU H H 46 9.072 8.991 0.081 1 1 500 . 19 1 1 A 46 46 GLU CA C 46 54.226 55.428 -1.202 1 1 501 . 19 1 1 A 46 46 GLU HA H 46 5.720 5.485 0.235 1 1 502 . 19 1 1 A 46 46 GLU CB C 46 34.724 32.926 1.798 1 1 508 . 19 1 1 A 46 46 GLU C C 46 174.843 174.769 0.074 1 1 509 . 19 1 1 A 47 47 LEU N N 47 125.182 126.743 -1.561 1 1 510 . 19 1 1 A 47 47 LEU H H 47 8.880 8.761 0.119 1 1 511 . 19 1 1 A 47 47 LEU CA C 47 55.064 54.074 0.990 1 1 512 . 19 1 1 A 47 47 LEU HA H 47 4.711 4.591 0.120 1 1 513 . 19 1 1 A 47 47 LEU CB C 47 45.900 45.104 0.796 1 1 526 . 19 1 1 A 47 47 LEU C C 47 176.130 175.290 0.840 1 1 527 . 19 1 1 A 48 48 ASN N N 48 127.515 124.744 2.771 1 1 528 . 19 1 1 A 48 48 ASN H H 48 9.796 9.336 0.460 1 1 529 . 19 1 1 A 48 48 ASN CA C 48 54.407 54.504 -0.097 1 1 530 . 19 1 1 A 48 48 ASN HA H 48 4.457 4.477 -0.020 1 1 531 . 19 1 1 A 48 48 ASN CB C 48 37.546 37.287 0.259 1 1 537 . 19 1 1 A 48 48 ASN C C 48 174.935 175.640 -0.705 1 1 538 . 19 1 1 A 49 49 GLY N N 49 104.068 104.629 -0.561 1 1 539 . 19 1 1 A 49 49 GLY H H 49 8.891 8.729 0.162 1 1 540 . 19 1 1 A 49 49 GLY CA C 49 45.471 46.038 -0.567 1 1 541 . 19 1 1 A 49 49 GLY HA2 H 49 3.621 3.921 -0.300 1 1 542 . 19 1 1 A 49 49 GLY HA3 H 49 4.230 3.925 0.305 1 1 543 . 19 1 1 A 49 49 GLY C C 49 173.671 173.829 -0.158 1 1 544 . 19 1 1 A 50 50 LEU N N 50 122.996 120.732 2.264 1 1 545 . 19 1 1 A 50 50 LEU H H 50 7.818 7.939 -0.121 1 1 546 . 19 1 1 A 50 50 LEU CA C 50 53.971 53.440 0.531 1 1 547 . 19 1 1 A 50 50 LEU HA H 50 4.727 4.889 -0.162 1 1 548 . 19 1 1 A 50 50 LEU CB C 50 43.482 44.825 -1.343 1 1 561 . 19 1 1 A 50 50 LEU C C 50 174.930 175.332 -0.402 1 1 562 . 19 1 1 A 51 51 ARG N N 51 119.072 120.655 -1.583 1 1 563 . 19 1 1 A 51 51 ARG H H 51 8.410 8.690 -0.280 1 1 564 . 19 1 1 A 51 51 ARG CA C 51 54.020 54.824 -0.804 1 1 565 . 19 1 1 A 51 51 ARG HA H 51 5.843 5.332 0.511 1 1 566 . 19 1 1 A 51 51 ARG CB C 51 34.724 32.692 2.032 1 1 575 . 19 1 1 A 51 51 ARG C C 51 176.707 175.840 0.867 1 1 576 . 19 1 1 A 52 52 GLY N N 52 109.058 110.061 -1.003 1 1 577 . 19 1 1 A 52 52 GLY H H 52 8.661 8.771 -0.110 1 1 578 . 19 1 1 A 52 52 GLY CA C 52 45.683 46.167 -0.484 1 1 579 . 19 1 1 A 52 52 GLY HA2 H 52 3.975 4.488 -0.513 1 1 580 . 19 1 1 A 52 52 GLY HA3 H 52 4.248 4.495 -0.247 1 1 581 . 19 1 1 A 52 52 GLY C C 52 171.261 172.902 -1.641 1 1 582 . 19 1 1 A 53 53 TRP N N 53 119.558 119.480 0.078 1 1 583 . 19 1 1 A 53 53 TRP H H 53 8.825 8.968 -0.143 1 1 584 . 19 1 1 A 53 53 TRP CA C 53 55.402 54.853 0.549 1 1 585 . 19 1 1 A 53 53 TRP HA H 53 6.222 6.003 0.219 1 1 586 . 19 1 1 A 53 53 TRP CB C 53 31.856 33.522 -1.666 1 1 601 . 19 1 1 A 53 53 TRP C C 53 176.100 174.650 1.450 1 1 602 . 19 1 1 A 54 54 PHE N N 54 115.426 116.029 -0.603 1 1 603 . 19 1 1 A 54 54 PHE H H 54 8.976 8.845 0.131 1 1 604 . 19 1 1 A 54 54 PHE CA C 54 55.805 55.451 0.354 1 1 605 . 19 1 1 A 54 54 PHE HA H 54 4.833 4.583 0.250 1 1 606 . 19 1 1 A 54 54 PHE CB C 54 39.295 39.455 -0.160 1 1 619 . 19 1 1 A 54 54 PHE C C 54 171.898 171.740 0.158 1 1 620 . 19 1 1 A 55 55 PRO CA C 55 61.963 63.077 -1.114 1 1 621 . 19 1 1 A 55 55 PRO HA H 55 4.654 4.849 -0.195 1 1 622 . 19 1 1 A 55 55 PRO CB C 55 31.179 32.402 -1.223 1 1 631 . 19 1 1 A 55 55 PRO C C 55 177.168 177.220 -0.052 1 1 632 . 19 1 1 A 56 56 ALA N N 56 130.132 126.971 3.161 1 1 633 . 19 1 1 A 56 56 ALA H H 56 7.818 8.384 -0.566 1 1 634 . 19 1 1 A 56 56 ALA CA C 56 55.045 54.557 0.488 1 1 635 . 19 1 1 A 56 56 ALA HA H 56 3.032 3.990 -0.958 1 1 636 . 19 1 1 A 56 56 ALA CB C 56 16.542 17.296 -0.754 1 1 640 . 19 1 1 A 56 56 ALA C C 56 178.595 179.753 -1.158 1 1 641 . 19 1 1 A 57 57 LYS N N 57 110.974 116.323 -5.349 1 1 642 . 19 1 1 A 57 57 LYS H H 57 8.024 7.984 0.040 1 1 643 . 19 1 1 A 57 57 LYS CA C 57 57.118 58.289 -1.171 1 1 644 . 19 1 1 A 57 57 LYS HA H 57 4.213 4.077 0.136 1 1 645 . 19 1 1 A 57 57 LYS CB C 57 31.641 31.516 0.125 1 1 657 . 19 1 1 A 57 57 LYS C C 57 177.053 178.288 -1.235 1 1 658 . 19 1 1 A 58 58 PHE N N 58 118.768 117.358 1.410 1 1 659 . 19 1 1 A 58 58 PHE H H 58 7.911 7.792 0.119 1 1 660 . 19 1 1 A 58 58 PHE CA C 58 56.933 60.384 -3.451 1 1 661 . 19 1 1 A 58 58 PHE HA H 58 4.739 4.331 0.408 1 1 662 . 19 1 1 A 58 58 PHE CB C 58 38.643 39.930 -1.287 1 1 675 . 19 1 1 A 58 58 PHE C C 58 174.837 175.967 -1.130 1 1 676 . 19 1 1 A 59 59 VAL N N 59 109.843 114.231 -4.388 1 1 677 . 19 1 1 A 59 59 VAL H H 59 7.796 7.286 0.510 1 1 678 . 19 1 1 A 59 59 VAL CA C 59 58.332 59.649 -1.317 1 1 679 . 19 1 1 A 59 59 VAL HA H 59 5.333 4.875 0.458 1 1 680 . 19 1 1 A 59 59 VAL CB C 59 35.704 34.500 1.204 1 1 690 . 19 1 1 A 59 59 VAL C C 59 173.452 174.045 -0.593 1 1 691 . 19 1 1 A 60 60 GLU N N 60 119.932 121.079 -1.147 1 1 692 . 19 1 1 A 60 60 GLU H H 60 8.699 8.877 -0.178 1 1 693 . 19 1 1 A 60 60 GLU CA C 60 54.202 54.612 -0.410 1 1 694 . 19 1 1 A 60 60 GLU HA H 60 4.863 5.223 -0.360 1 1 695 . 19 1 1 A 60 60 GLU CB C 60 33.573 33.128 0.445 1 1 701 . 19 1 1 A 60 60 GLU C C 60 176.100 175.960 0.140 1 1 702 . 19 1 1 A 61 61 VAL N N 61 127.661 126.924 0.737 1 1 703 . 19 1 1 A 61 61 VAL H H 61 9.107 8.700 0.407 1 1 704 . 19 1 1 A 61 61 VAL CA C 61 64.612 62.771 1.841 1 1 705 . 19 1 1 A 61 61 VAL HA H 61 3.957 4.346 -0.389 1 1 706 . 19 1 1 A 61 61 VAL CB C 61 31.875 32.358 -0.483 1 1 716 . 19 1 1 A 61 61 VAL C C 61 176.294 175.270 1.024 1 1 717 . 19 1 1 A 62 62 LEU N N 62 128.512 125.471 3.041 1 1 718 . 19 1 1 A 62 62 LEU H H 62 8.777 8.200 0.577 1 1 719 . 19 1 1 A 62 62 LEU CA C 62 54.677 53.660 1.017 1 1 720 . 19 1 1 A 62 62 LEU HA H 62 4.456 5.064 -0.608 1 1 721 . 19 1 1 A 62 62 LEU CB C 62 42.548 46.124 -3.576 1 1 734 . 19 1 1 A 62 62 LEU C C 62 176.888 174.843 2.045 1 1 735 . 19 1 1 A 63 63 ASP N N 63 122.605 121.119 1.486 1 1 736 . 19 1 1 A 63 63 ASP H H 63 8.588 9.083 -0.495 1 1 737 . 19 1 1 A 63 63 ASP CA C 63 53.971 52.539 1.432 1 1 738 . 19 1 1 A 63 63 ASP HA H 63 4.643 5.470 -0.827 1 1 739 . 19 1 1 A 63 63 ASP CB C 63 41.629 42.318 -0.689 1 1 742 . 19 1 1 A 63 63 ASP C C 63 176.460 174.437 2.023 1 1 743 . 19 1 1 A 64 64 GLU N N 64 122.614 124.123 -1.509 1 1 744 . 19 1 1 A 64 64 GLU H H 64 8.634 8.743 -0.109 1 1 745 . 19 1 1 A 64 64 GLU CA C 64 57.086 55.605 1.481 1 1 746 . 19 1 1 A 64 64 GLU HA H 64 4.158 4.542 -0.384 1 1 747 . 19 1 1 A 64 64 GLU CB C 64 30.055 31.192 -1.137 1 1 753 . 19 1 1 A 64 64 GLU C C 64 176.801 177.247 -0.446 1 1 754 . 19 1 1 A 65 65 ARG N N 65 120.526 122.970 -2.444 1 1 755 . 19 1 1 A 65 65 ARG H H 65 8.416 8.791 -0.375 1 1 756 . 19 1 1 A 65 65 ARG CA C 65 56.430 56.967 -0.537 1 1 757 . 19 1 1 A 65 65 ARG HA H 65 4.323 4.010 0.313 1 1 758 . 19 1 1 A 65 65 ARG CB C 65 30.493 28.093 2.400 1 1 767 . 19 1 1 A 65 65 ARG C C 65 176.896 175.315 1.581 1 1 768 . 19 1 1 A 66 66 SER N N 66 116.214 115.465 0.749 1 1 769 . 19 1 1 A 66 66 SER H H 66 8.225 7.836 0.389 1 1 770 . 19 1 1 A 66 66 SER CA C 66 58.732 56.785 1.947 1 1 771 . 19 1 1 A 66 66 SER HA H 66 4.799 4.885 -0.086 1 1 772 . 19 1 1 A 66 66 SER CB C 66 63.879 65.290 -1.411 1 1 775 . 19 1 1 A 66 66 SER C C 66 175.225 172.452 2.773 1 1 776 . 19 1 1 A 67 67 LYS CA C 67 56.993 55.170 1.823 1 1 777 . 19 1 1 A 67 67 LYS HA H 67 4.270 4.337 -0.067 1 1 778 . 19 1 1 A 67 67 LYS CB C 67 32.724 31.549 1.175 1 1 790 . 19 1 1 A 68 68 GLU N N 68 120.561 125.523 -4.962 1 1 791 . 19 1 1 A 68 68 GLU H H 68 8.417 7.580 0.837 1 1 792 . 19 1 1 A 68 68 GLU CA C 68 57.144 55.128 2.016 1 1 793 . 19 1 1 A 68 68 GLU HA H 68 4.193 4.705 -0.512 1 1 794 . 19 1 1 A 68 68 GLU CB C 68 30.025 32.593 -2.568 1 1 800 . 19 1 1 A 68 68 GLU C C 68 176.828 174.651 2.177 1 1 801 . 19 1 1 A 69 69 TYR N N 69 120.399 125.728 -5.329 1 1 802 . 19 1 1 A 69 69 TYR H H 69 8.027 8.911 -0.884 1 1 803 . 19 1 1 A 69 69 TYR CA C 69 58.296 56.599 1.697 1 1 804 . 19 1 1 A 69 69 TYR HA H 69 4.504 5.109 -0.605 1 1 805 . 19 1 1 A 69 69 TYR CB C 69 38.965 43.286 -4.321 1 1 816 . 19 1 1 A 69 69 TYR C C 69 176.367 175.262 1.105 1 1 817 . 19 1 1 A 70 70 SER N N 70 117.031 117.705 -0.674 1 1 818 . 19 1 1 A 70 70 SER H H 70 8.067 8.946 -0.879 1 1 819 . 19 1 1 A 70 70 SER CA C 70 58.167 59.079 -0.912 1 1 820 . 19 1 1 A 70 70 SER HA H 70 4.441 4.613 -0.172 1 1 821 . 19 1 1 A 70 70 SER CB C 70 63.911 66.240 -2.329 1 1 824 . 19 1 1 A 70 70 SER C C 70 174.448 173.986 0.462 1 1 825 . 19 1 1 A 71 71 ILE N N 71 122.402 117.611 4.791 1 1 826 . 19 1 1 A 71 71 ILE H H 71 8.083 7.459 0.624 1 1 827 . 19 1 1 A 71 71 ILE CA C 71 61.411 61.058 0.353 1 1 828 . 19 1 1 A 71 71 ILE HA H 71 4.161 4.187 -0.026 1 1 829 . 19 1 1 A 71 71 ILE CB C 71 38.779 39.019 -0.240 1 1 842 . 19 1 1 A 71 71 ILE C C 71 176.172 175.579 0.593 1 1 843 . 19 1 1 A 72 72 ALA N N 72 127.574 125.746 1.828 1 1 844 . 19 1 1 A 72 72 ALA H H 72 8.306 8.388 -0.082 1 1 845 . 19 1 1 A 72 72 ALA CA C 72 52.631 50.522 2.109 1 1 846 . 19 1 1 A 72 72 ALA HA H 72 4.366 5.030 -0.664 1 1 847 . 19 1 1 A 72 72 ALA CB C 72 19.242 20.865 -1.623 1 1 851 . 19 1 1 A 72 72 ALA C C 72 177.702 177.015 0.687 1 1 852 . 19 1 1 A 73 73 SER N N 73 115.199 119.337 -4.138 1 1 853 . 19 1 1 A 73 73 SER H H 73 8.223 8.687 -0.464 1 1 854 . 19 1 1 A 73 73 SER CA C 73 58.285 59.856 -1.571 1 1 855 . 19 1 1 A 73 73 SER HA H 73 4.471 4.288 0.183 1 1 856 . 19 1 1 A 73 73 SER CB C 73 64.233 63.669 0.564 1 1 859 . 19 1 1 A 73 73 SER C C 73 174.639 174.638 0.001 1 1 860 . 19 1 1 A 74 74 GLY N N 74 110.616 109.977 0.639 1 1 861 . 19 1 1 A 74 74 GLY H H 74 8.185 8.336 -0.151 1 1 862 . 19 1 1 A 74 74 GLY CA C 74 44.677 45.802 -1.125 1 1 863 . 19 1 1 A 74 74 GLY HA2 H 74 4.171 4.289 -0.118 1 1 864 . 19 1 1 A 74 74 GLY HA3 H 74 4.107 4.289 -0.182 1 1 865 . 19 1 1 A 74 74 GLY C C 74 171.850 171.661 0.189 1 1 866 . 19 1 1 A 75 75 PRO CA C 75 63.266 62.756 0.510 1 1 867 . 19 1 1 A 75 75 PRO HA H 75 4.487 4.625 -0.138 1 1 868 . 19 1 1 A 75 75 PRO CB C 75 32.196 31.645 0.551 1 1 877 . 19 1 1 A 76 76 SER N N 76 116.439 121.228 -4.789 1 1 878 . 19 1 1 A 76 76 SER H H 76 8.562 8.697 -0.135 1 1 879 . 19 1 1 A 76 76 SER CA C 76 58.747 61.250 -2.503 1 1 880 . 19 1 1 A 76 76 SER CB C 76 64.105 62.615 1.490 1 1 1 . 20 1 1 A 6 6 SER CA C 6 58.690 56.797 1.893 1 1 2 . 20 1 1 A 6 6 SER HA H 6 4.411 5.226 -0.815 1 1 3 . 20 1 1 A 7 7 GLY N N 7 110.826 110.800 0.026 1 1 4 . 20 1 1 A 7 7 GLY H H 7 8.436 8.349 0.087 1 1 5 . 20 1 1 A 7 7 GLY CA C 7 45.315 45.893 -0.578 1 1 6 . 20 1 1 A 7 7 GLY HA2 H 7 4.029 4.114 -0.085 1 1 7 . 20 1 1 A 7 7 GLY HA3 H 7 3.918 4.124 -0.206 1 1 8 . 20 1 1 A 7 7 GLY C C 7 173.788 171.626 2.162 1 1 9 . 20 1 1 A 8 8 ARG N N 8 120.458 122.630 -2.172 1 1 10 . 20 1 1 A 8 8 ARG H H 8 8.272 8.764 -0.492 1 1 11 . 20 1 1 A 8 8 ARG CA C 8 55.715 54.845 0.870 1 1 12 . 20 1 1 A 8 8 ARG HA H 8 4.500 5.190 -0.690 1 1 13 . 20 1 1 A 8 8 ARG CB C 8 31.541 32.596 -1.055 1 1 22 . 20 1 1 A 8 8 ARG C C 8 175.201 174.839 0.362 1 1 23 . 20 1 1 A 9 9 ARG N N 9 121.537 125.975 -4.438 1 1 24 . 20 1 1 A 9 9 ARG H H 9 8.879 8.836 0.043 1 1 25 . 20 1 1 A 9 9 ARG CA C 9 54.737 54.184 0.553 1 1 26 . 20 1 1 A 9 9 ARG HA H 9 5.288 5.290 -0.002 1 1 27 . 20 1 1 A 9 9 ARG CB C 9 34.064 34.071 -0.007 1 1 36 . 20 1 1 A 9 9 ARG C C 9 174.910 174.374 0.536 1 1 37 . 20 1 1 A 10 10 ALA N N 10 122.000 125.350 -3.350 1 1 38 . 20 1 1 A 10 10 ALA H H 10 9.200 8.583 0.617 1 1 39 . 20 1 1 A 10 10 ALA CA C 10 50.229 50.161 0.068 1 1 40 . 20 1 1 A 10 10 ALA HA H 10 5.143 5.589 -0.446 1 1 41 . 20 1 1 A 10 10 ALA CB C 10 23.552 21.872 1.680 1 1 45 . 20 1 1 A 10 10 ALA C C 10 173.920 175.270 -1.350 1 1 46 . 20 1 1 A 11 11 LYS N N 11 121.984 123.558 -1.574 1 1 47 . 20 1 1 A 11 11 LYS H H 11 8.962 8.495 0.467 1 1 48 . 20 1 1 A 11 11 LYS CA C 11 53.936 55.793 -1.857 1 1 49 . 20 1 1 A 11 11 LYS HA H 11 5.043 4.386 0.657 1 1 50 . 20 1 1 A 11 11 LYS CB C 11 35.705 33.489 2.216 1 1 62 . 20 1 1 A 11 11 LYS C C 11 176.193 176.924 -0.731 1 1 63 . 20 1 1 A 12 12 ALA N N 12 128.384 129.053 -0.669 1 1 64 . 20 1 1 A 12 12 ALA H H 12 8.974 9.133 -0.159 1 1 65 . 20 1 1 A 12 12 ALA CA C 12 52.878 52.506 0.372 1 1 66 . 20 1 1 A 12 12 ALA HA H 12 4.271 4.280 -0.009 1 1 67 . 20 1 1 A 12 12 ALA CB C 12 21.024 18.970 2.054 1 1 71 . 20 1 1 A 12 12 ALA C C 12 179.524 177.207 2.317 1 1 72 . 20 1 1 A 13 13 LEU N N 13 126.125 125.148 0.977 1 1 73 . 20 1 1 A 13 13 LEU H H 13 9.490 8.908 0.582 1 1 74 . 20 1 1 A 13 13 LEU CA C 13 55.697 56.111 -0.414 1 1 75 . 20 1 1 A 13 13 LEU HA H 13 4.258 4.342 -0.084 1 1 76 . 20 1 1 A 13 13 LEU CB C 13 43.073 42.707 0.366 1 1 89 . 20 1 1 A 13 13 LEU C C 13 175.705 176.932 -1.227 1 1 90 . 20 1 1 A 14 14 LEU N N 14 116.229 113.844 2.385 1 1 91 . 20 1 1 A 14 14 LEU H H 14 7.638 7.660 -0.022 1 1 92 . 20 1 1 A 14 14 LEU CA C 14 53.715 53.512 0.203 1 1 93 . 20 1 1 A 14 14 LEU HA H 14 4.436 4.766 -0.330 1 1 94 . 20 1 1 A 14 14 LEU CB C 14 45.286 44.178 1.108 1 1 107 . 20 1 1 A 14 14 LEU C C 14 173.987 175.214 -1.227 1 1 108 . 20 1 1 A 15 15 ASP N N 15 116.528 119.614 -3.086 1 1 109 . 20 1 1 A 15 15 ASP H H 15 8.047 8.589 -0.542 1 1 110 . 20 1 1 A 15 15 ASP CA C 15 54.712 53.340 1.372 1 1 111 . 20 1 1 A 15 15 ASP HA H 15 4.628 5.122 -0.494 1 1 112 . 20 1 1 A 15 15 ASP CB C 15 41.437 41.614 -0.177 1 1 115 . 20 1 1 A 16 16 PHE N N 16 123.405 125.395 -1.990 1 1 116 . 20 1 1 A 16 16 PHE H H 16 8.414 9.077 -0.663 1 1 117 . 20 1 1 A 16 16 PHE CA C 16 56.555 55.145 1.410 1 1 118 . 20 1 1 A 16 16 PHE HA H 16 4.576 5.123 -0.547 1 1 119 . 20 1 1 A 16 16 PHE CB C 16 41.647 40.391 1.256 1 1 132 . 20 1 1 A 17 17 GLU N N 17 127.173 128.445 -1.272 1 1 133 . 20 1 1 A 17 17 GLU H H 17 7.775 8.349 -0.574 1 1 134 . 20 1 1 A 17 17 GLU CA C 17 54.469 55.598 -1.129 1 1 135 . 20 1 1 A 17 17 GLU HA H 17 4.025 4.409 -0.384 1 1 136 . 20 1 1 A 17 17 GLU CB C 17 30.119 30.638 -0.519 1 1 142 . 20 1 1 A 17 17 GLU C C 17 174.327 175.567 -1.240 1 1 143 . 20 1 1 A 18 18 ARG N N 18 123.112 125.009 -1.897 1 1 144 . 20 1 1 A 18 18 ARG H H 18 7.721 8.268 -0.547 1 1 145 . 20 1 1 A 18 18 ARG CA C 18 55.738 55.811 -0.073 1 1 146 . 20 1 1 A 18 18 ARG HA H 18 3.665 4.075 -0.410 1 1 147 . 20 1 1 A 18 18 ARG CB C 18 30.846 30.822 0.024 1 1 156 . 20 1 1 A 18 18 ARG C C 18 175.954 175.742 0.212 1 1 157 . 20 1 1 A 19 19 HIS N N 19 121.992 119.831 2.161 1 1 158 . 20 1 1 A 19 19 HIS H H 19 9.200 8.478 0.722 1 1 159 . 20 1 1 A 19 19 HIS CA C 19 56.774 57.670 -0.896 1 1 160 . 20 1 1 A 19 19 HIS HA H 19 4.612 4.567 0.045 1 1 161 . 20 1 1 A 19 19 HIS CB C 19 30.061 31.879 -1.818 1 1 168 . 20 1 1 A 19 19 HIS C C 19 174.151 174.644 -0.493 1 1 169 . 20 1 1 A 20 20 ASP N N 20 119.946 116.857 3.089 1 1 170 . 20 1 1 A 20 20 ASP H H 20 8.160 7.733 0.427 1 1 171 . 20 1 1 A 20 20 ASP CA C 20 53.371 53.404 -0.033 1 1 172 . 20 1 1 A 20 20 ASP HA H 20 4.785 4.688 0.097 1 1 173 . 20 1 1 A 20 20 ASP CB C 20 43.492 42.399 1.093 1 1 176 . 20 1 1 A 20 20 ASP C C 20 176.571 176.739 -0.168 1 1 177 . 20 1 1 A 21 21 ASP N N 21 119.329 122.621 -3.292 1 1 178 . 20 1 1 A 21 21 ASP H H 21 8.686 9.008 -0.322 1 1 179 . 20 1 1 A 21 21 ASP CA C 21 56.641 57.074 -0.433 1 1 180 . 20 1 1 A 21 21 ASP HA H 21 4.439 4.309 0.130 1 1 181 . 20 1 1 A 21 21 ASP CB C 21 40.977 39.988 0.989 1 1 184 . 20 1 1 A 21 21 ASP C C 21 176.619 177.947 -1.328 1 1 185 . 20 1 1 A 22 22 ASP N N 22 116.501 117.346 -0.845 1 1 186 . 20 1 1 A 22 22 ASP H H 22 8.702 8.825 -0.123 1 1 187 . 20 1 1 A 22 22 ASP CA C 22 54.535 56.959 -2.424 1 1 188 . 20 1 1 A 22 22 ASP HA H 22 4.769 4.560 0.209 1 1 189 . 20 1 1 A 22 22 ASP CB C 22 40.833 40.493 0.340 1 1 192 . 20 1 1 A 22 22 ASP C C 22 176.139 176.992 -0.853 1 1 193 . 20 1 1 A 23 23 GLU N N 23 119.696 119.843 -0.147 1 1 194 . 20 1 1 A 23 23 GLU H H 23 7.540 8.297 -0.757 1 1 195 . 20 1 1 A 23 23 GLU CA C 23 55.398 56.796 -1.398 1 1 196 . 20 1 1 A 23 23 GLU HA H 23 4.519 4.094 0.425 1 1 197 . 20 1 1 A 23 23 GLU CB C 23 32.584 29.892 2.692 1 1 203 . 20 1 1 A 23 23 GLU C C 23 175.760 175.498 0.262 1 1 204 . 20 1 1 A 24 24 LEU N N 24 125.257 126.456 -1.199 1 1 205 . 20 1 1 A 24 24 LEU H H 24 8.766 9.138 -0.372 1 1 206 . 20 1 1 A 24 24 LEU CA C 24 53.525 53.934 -0.409 1 1 207 . 20 1 1 A 24 24 LEU HA H 24 4.410 5.089 -0.679 1 1 208 . 20 1 1 A 24 24 LEU CB C 24 44.685 44.847 -0.162 1 1 221 . 20 1 1 A 24 24 LEU C C 24 173.987 175.955 -1.968 1 1 222 . 20 1 1 A 25 25 GLY N N 25 107.345 114.031 -6.686 1 1 223 . 20 1 1 A 25 25 GLY H H 25 7.584 9.003 -1.419 1 1 224 . 20 1 1 A 25 25 GLY CA C 25 44.096 44.272 -0.176 1 1 225 . 20 1 1 A 25 25 GLY HA2 H 25 3.361 3.880 -0.519 1 1 226 . 20 1 1 A 25 25 GLY HA3 H 25 4.260 3.952 0.308 1 1 227 . 20 1 1 A 25 25 GLY C C 25 173.720 172.576 1.144 1 1 228 . 20 1 1 A 26 26 PHE N N 26 114.043 115.628 -1.585 1 1 229 . 20 1 1 A 26 26 PHE H H 26 8.330 8.328 0.002 1 1 230 . 20 1 1 A 26 26 PHE CA C 26 56.440 56.389 0.051 1 1 231 . 20 1 1 A 26 26 PHE HA H 26 4.749 5.164 -0.415 1 1 232 . 20 1 1 A 26 26 PHE CB C 26 40.494 40.993 -0.499 1 1 245 . 20 1 1 A 26 26 PHE C C 26 174.820 172.476 2.344 1 1 246 . 20 1 1 A 27 27 ARG N N 27 120.928 120.301 0.627 1 1 247 . 20 1 1 A 27 27 ARG H H 27 9.597 8.541 1.056 1 1 248 . 20 1 1 A 27 27 ARG CA C 27 53.054 54.979 -1.925 1 1 249 . 20 1 1 A 27 27 ARG HA H 27 4.974 4.751 0.223 1 1 250 . 20 1 1 A 27 27 ARG CB C 27 32.687 31.555 1.132 1 1 259 . 20 1 1 A 27 27 ARG C C 27 175.511 175.945 -0.434 1 1 260 . 20 1 1 A 28 28 LYS N N 28 120.682 122.154 -1.472 1 1 261 . 20 1 1 A 28 28 LYS H H 28 8.922 8.661 0.261 1 1 262 . 20 1 1 A 28 28 LYS CA C 28 59.064 57.931 1.133 1 1 263 . 20 1 1 A 28 28 LYS HA H 28 3.220 4.018 -0.798 1 1 264 . 20 1 1 A 28 28 LYS CB C 28 32.826 32.425 0.401 1 1 276 . 20 1 1 A 28 28 LYS C C 28 177.019 177.358 -0.339 1 1 277 . 20 1 1 A 29 29 ASN N N 29 117.470 118.878 -1.408 1 1 278 . 20 1 1 A 29 29 ASN H H 29 8.728 9.211 -0.483 1 1 279 . 20 1 1 A 29 29 ASN CA C 29 56.477 54.412 2.065 1 1 280 . 20 1 1 A 29 29 ASN HA H 29 4.148 4.304 -0.156 1 1 281 . 20 1 1 A 29 29 ASN CB C 29 37.170 37.241 -0.071 1 1 287 . 20 1 1 A 29 29 ASN C C 29 174.716 174.043 0.673 1 1 288 . 20 1 1 A 30 30 ASP N N 30 122.549 117.327 5.222 1 1 289 . 20 1 1 A 30 30 ASP H H 30 8.527 7.530 0.997 1 1 290 . 20 1 1 A 30 30 ASP CA C 30 56.167 53.143 3.024 1 1 291 . 20 1 1 A 30 30 ASP HA H 30 4.596 5.049 -0.453 1 1 292 . 20 1 1 A 30 30 ASP CB C 30 41.797 41.930 -0.133 1 1 295 . 20 1 1 A 30 30 ASP C C 30 175.177 175.738 -0.561 1 1 296 . 20 1 1 A 31 31 ILE N N 31 119.187 123.910 -4.723 1 1 297 . 20 1 1 A 31 31 ILE H H 31 8.267 8.752 -0.485 1 1 298 . 20 1 1 A 31 31 ILE CA C 31 59.191 60.652 -1.461 1 1 299 . 20 1 1 A 31 31 ILE HA H 31 4.819 4.635 0.184 1 1 300 . 20 1 1 A 31 31 ILE CB C 31 36.702 38.425 -1.723 1 1 313 . 20 1 1 A 31 31 ILE C C 31 175.437 175.223 0.214 1 1 314 . 20 1 1 A 32 32 ILE N N 32 129.566 127.256 2.310 1 1 315 . 20 1 1 A 32 32 ILE H H 32 9.247 8.672 0.575 1 1 316 . 20 1 1 A 32 32 ILE CA C 32 60.211 59.508 0.703 1 1 317 . 20 1 1 A 32 32 ILE HA H 32 4.140 4.740 -0.600 1 1 318 . 20 1 1 A 32 32 ILE CB C 32 41.978 41.214 0.764 1 1 331 . 20 1 1 A 32 32 ILE C C 32 176.197 175.195 1.002 1 1 332 . 20 1 1 A 33 33 THR N N 33 123.061 122.540 0.521 1 1 333 . 20 1 1 A 33 33 THR H H 33 8.741 8.385 0.356 1 1 334 . 20 1 1 A 33 33 THR CA C 33 63.117 63.118 -0.001 1 1 335 . 20 1 1 A 33 33 THR HA H 33 4.583 4.450 0.133 1 1 336 . 20 1 1 A 33 33 THR CB C 33 69.626 69.155 0.471 1 1 342 . 20 1 1 A 33 33 THR C C 33 174.011 174.056 -0.045 1 1 343 . 20 1 1 A 34 34 ILE N N 34 128.281 126.566 1.715 1 1 344 . 20 1 1 A 34 34 ILE H H 34 9.110 9.115 -0.005 1 1 345 . 20 1 1 A 34 34 ILE CA C 34 61.566 60.715 0.851 1 1 346 . 20 1 1 A 34 34 ILE HA H 34 4.117 4.423 -0.306 1 1 347 . 20 1 1 A 34 34 ILE CB C 34 36.785 37.350 -0.565 1 1 360 . 20 1 1 A 34 34 ILE C C 34 175.420 175.442 -0.022 1 1 361 . 20 1 1 A 35 35 ILE N N 35 128.859 129.904 -1.045 1 1 362 . 20 1 1 A 35 35 ILE H H 35 9.359 8.921 0.438 1 1 363 . 20 1 1 A 35 35 ILE CA C 35 60.949 63.098 -2.149 1 1 364 . 20 1 1 A 35 35 ILE HA H 35 4.224 4.060 0.164 1 1 365 . 20 1 1 A 35 35 ILE CB C 35 38.186 38.438 -0.252 1 1 378 . 20 1 1 A 35 35 ILE C C 35 176.253 176.020 0.233 1 1 379 . 20 1 1 A 36 36 SER N N 36 111.665 113.389 -1.724 1 1 380 . 20 1 1 A 36 36 SER H H 36 7.882 7.769 0.113 1 1 381 . 20 1 1 A 36 36 SER CA C 36 57.605 56.771 0.834 1 1 382 . 20 1 1 A 36 36 SER HA H 36 4.525 4.733 -0.208 1 1 383 . 20 1 1 A 36 36 SER CB C 36 64.435 65.202 -0.767 1 1 386 . 20 1 1 A 36 36 SER C C 36 172.845 172.297 0.548 1 1 387 . 20 1 1 A 37 37 GLN N N 37 116.906 125.598 -8.692 1 1 388 . 20 1 1 A 37 37 GLN H H 37 8.055 8.796 -0.741 1 1 389 . 20 1 1 A 37 37 GLN CA C 37 54.718 53.953 0.765 1 1 390 . 20 1 1 A 37 37 GLN HA H 37 4.420 4.510 -0.090 1 1 391 . 20 1 1 A 37 37 GLN CB C 37 29.381 27.187 2.194 1 1 400 . 20 1 1 A 37 37 GLN C C 37 175.080 175.911 -0.831 1 1 401 . 20 1 1 A 38 38 LYS N N 38 124.909 125.428 -0.519 1 1 402 . 20 1 1 A 38 38 LYS H H 38 8.046 8.226 -0.180 1 1 403 . 20 1 1 A 38 38 LYS CA C 38 58.998 60.197 -1.199 1 1 404 . 20 1 1 A 38 38 LYS HA H 38 4.076 3.841 0.235 1 1 405 . 20 1 1 A 38 38 LYS CB C 38 33.116 32.643 0.473 1 1 417 . 20 1 1 A 38 38 LYS C C 38 176.508 175.800 0.708 1 1 418 . 20 1 1 A 39 39 ASP N N 39 117.133 118.666 -1.533 1 1 419 . 20 1 1 A 39 39 ASP H H 39 8.296 8.308 -0.012 1 1 420 . 20 1 1 A 39 39 ASP CA C 39 53.294 52.008 1.286 1 1 421 . 20 1 1 A 39 39 ASP HA H 39 4.558 5.059 -0.501 1 1 422 . 20 1 1 A 39 39 ASP CB C 39 41.847 43.421 -1.574 1 1 425 . 20 1 1 A 39 39 ASP C C 39 175.201 175.966 -0.765 1 1 426 . 20 1 1 A 40 40 GLU N N 40 116.223 123.843 -7.620 1 1 427 . 20 1 1 A 40 40 GLU H H 40 8.564 8.899 -0.335 1 1 428 . 20 1 1 A 40 40 GLU CA C 40 58.748 59.686 -0.938 1 1 429 . 20 1 1 A 40 40 GLU HA H 40 4.088 4.275 -0.187 1 1 430 . 20 1 1 A 40 40 GLU CB C 40 29.696 29.845 -0.149 1 1 436 . 20 1 1 A 40 40 GLU C C 40 176.367 178.811 -2.444 1 1 437 . 20 1 1 A 41 41 HIS N N 41 114.612 114.660 -0.048 1 1 438 . 20 1 1 A 41 41 HIS H H 41 8.383 7.843 0.540 1 1 439 . 20 1 1 A 41 41 HIS CA C 41 56.873 57.754 -0.881 1 1 440 . 20 1 1 A 41 41 HIS HA H 41 4.613 4.259 0.354 1 1 441 . 20 1 1 A 41 41 HIS CB C 41 32.910 31.406 1.504 1 1 448 . 20 1 1 A 41 41 HIS C C 41 176.755 174.761 1.994 1 1 449 . 20 1 1 A 42 42 CYS N N 42 122.290 117.092 5.198 1 1 450 . 20 1 1 A 42 42 CYS H H 42 8.337 7.585 0.752 1 1 451 . 20 1 1 A 42 42 CYS CA C 42 58.168 57.390 0.778 1 1 452 . 20 1 1 A 42 42 CYS HA H 42 4.885 4.748 0.137 1 1 453 . 20 1 1 A 42 42 CYS CB C 42 29.227 28.950 0.277 1 1 456 . 20 1 1 A 42 42 CYS C C 42 172.892 174.358 -1.466 1 1 457 . 20 1 1 A 43 43 TRP N N 43 127.114 123.705 3.409 1 1 458 . 20 1 1 A 43 43 TRP H H 43 8.333 8.592 -0.259 1 1 459 . 20 1 1 A 43 43 TRP CA C 43 53.262 55.602 -2.340 1 1 460 . 20 1 1 A 43 43 TRP HA H 43 5.307 5.245 0.062 1 1 461 . 20 1 1 A 43 43 TRP CB C 43 33.323 33.346 -0.023 1 1 476 . 20 1 1 A 43 43 TRP C C 43 173.064 175.082 -2.018 1 1 477 . 20 1 1 A 44 44 VAL N N 44 117.650 121.069 -3.419 1 1 478 . 20 1 1 A 44 44 VAL H H 44 8.591 8.867 -0.276 1 1 479 . 20 1 1 A 44 44 VAL CA C 44 61.801 61.076 0.725 1 1 480 . 20 1 1 A 44 44 VAL HA H 44 4.739 5.002 -0.263 1 1 481 . 20 1 1 A 44 44 VAL CB C 44 32.962 32.854 0.108 1 1 491 . 20 1 1 A 44 44 VAL C C 44 176.980 175.488 1.492 1 1 492 . 20 1 1 A 45 45 GLY N N 45 115.010 115.416 -0.406 1 1 493 . 20 1 1 A 45 45 GLY H H 45 9.469 8.775 0.694 1 1 494 . 20 1 1 A 45 45 GLY CA C 45 45.159 44.574 0.585 1 1 495 . 20 1 1 A 45 45 GLY HA2 H 45 3.769 4.362 -0.593 1 1 496 . 20 1 1 A 45 45 GLY HA3 H 45 5.478 4.562 0.916 1 1 497 . 20 1 1 A 45 45 GLY C C 45 170.022 172.662 -2.640 1 1 498 . 20 1 1 A 46 46 GLU N N 46 118.202 120.133 -1.931 1 1 499 . 20 1 1 A 46 46 GLU H H 46 9.072 8.967 0.105 1 1 500 . 20 1 1 A 46 46 GLU CA C 46 54.226 55.564 -1.338 1 1 501 . 20 1 1 A 46 46 GLU HA H 46 5.720 5.520 0.200 1 1 502 . 20 1 1 A 46 46 GLU CB C 46 34.724 32.718 2.006 1 1 508 . 20 1 1 A 46 46 GLU C C 46 174.843 174.615 0.228 1 1 509 . 20 1 1 A 47 47 LEU N N 47 125.182 126.758 -1.576 1 1 510 . 20 1 1 A 47 47 LEU H H 47 8.880 8.681 0.199 1 1 511 . 20 1 1 A 47 47 LEU CA C 47 55.064 53.912 1.152 1 1 512 . 20 1 1 A 47 47 LEU HA H 47 4.711 4.609 0.102 1 1 513 . 20 1 1 A 47 47 LEU CB C 47 45.900 45.184 0.716 1 1 526 . 20 1 1 A 47 47 LEU C C 47 176.130 175.188 0.942 1 1 527 . 20 1 1 A 48 48 ASN N N 48 127.515 124.335 3.180 1 1 528 . 20 1 1 A 48 48 ASN H H 48 9.796 9.323 0.473 1 1 529 . 20 1 1 A 48 48 ASN CA C 48 54.407 54.493 -0.086 1 1 530 . 20 1 1 A 48 48 ASN HA H 48 4.457 4.482 -0.025 1 1 531 . 20 1 1 A 48 48 ASN CB C 48 37.546 37.283 0.263 1 1 537 . 20 1 1 A 48 48 ASN C C 48 174.935 175.641 -0.706 1 1 538 . 20 1 1 A 49 49 GLY N N 49 104.068 104.593 -0.525 1 1 539 . 20 1 1 A 49 49 GLY H H 49 8.891 8.733 0.158 1 1 540 . 20 1 1 A 49 49 GLY CA C 49 45.471 46.100 -0.629 1 1 541 . 20 1 1 A 49 49 GLY HA2 H 49 3.621 3.942 -0.321 1 1 542 . 20 1 1 A 49 49 GLY HA3 H 49 4.230 3.945 0.285 1 1 543 . 20 1 1 A 49 49 GLY C C 49 173.671 173.808 -0.137 1 1 544 . 20 1 1 A 50 50 LEU N N 50 122.996 120.281 2.715 1 1 545 . 20 1 1 A 50 50 LEU H H 50 7.818 7.941 -0.123 1 1 546 . 20 1 1 A 50 50 LEU CA C 50 53.971 53.186 0.785 1 1 547 . 20 1 1 A 50 50 LEU HA H 50 4.727 4.970 -0.243 1 1 548 . 20 1 1 A 50 50 LEU CB C 50 43.482 45.481 -1.999 1 1 561 . 20 1 1 A 50 50 LEU C C 50 174.930 175.361 -0.431 1 1 562 . 20 1 1 A 51 51 ARG N N 51 119.072 119.907 -0.835 1 1 563 . 20 1 1 A 51 51 ARG H H 51 8.410 8.613 -0.203 1 1 564 . 20 1 1 A 51 51 ARG CA C 51 54.020 54.658 -0.638 1 1 565 . 20 1 1 A 51 51 ARG HA H 51 5.843 5.328 0.515 1 1 566 . 20 1 1 A 51 51 ARG CB C 51 34.724 32.727 1.997 1 1 575 . 20 1 1 A 51 51 ARG C C 51 176.707 175.529 1.178 1 1 576 . 20 1 1 A 52 52 GLY N N 52 109.058 110.314 -1.256 1 1 577 . 20 1 1 A 52 52 GLY H H 52 8.661 8.810 -0.149 1 1 578 . 20 1 1 A 52 52 GLY CA C 52 45.683 45.843 -0.160 1 1 579 . 20 1 1 A 52 52 GLY HA2 H 52 3.975 4.453 -0.478 1 1 580 . 20 1 1 A 52 52 GLY HA3 H 52 4.248 4.465 -0.217 1 1 581 . 20 1 1 A 52 52 GLY C C 52 171.261 172.812 -1.551 1 1 582 . 20 1 1 A 53 53 TRP N N 53 119.558 118.337 1.221 1 1 583 . 20 1 1 A 53 53 TRP H H 53 8.825 9.365 -0.540 1 1 584 . 20 1 1 A 53 53 TRP CA C 53 55.402 54.703 0.699 1 1 585 . 20 1 1 A 53 53 TRP HA H 53 6.222 5.876 0.346 1 1 586 . 20 1 1 A 53 53 TRP CB C 53 31.856 33.086 -1.230 1 1 601 . 20 1 1 A 53 53 TRP C C 53 176.100 174.889 1.211 1 1 602 . 20 1 1 A 54 54 PHE N N 54 115.426 115.942 -0.516 1 1 603 . 20 1 1 A 54 54 PHE H H 54 8.976 8.619 0.357 1 1 604 . 20 1 1 A 54 54 PHE CA C 54 55.805 55.401 0.404 1 1 605 . 20 1 1 A 54 54 PHE HA H 54 4.833 4.591 0.242 1 1 606 . 20 1 1 A 54 54 PHE CB C 54 39.295 39.457 -0.162 1 1 619 . 20 1 1 A 54 54 PHE C C 54 171.898 171.805 0.093 1 1 620 . 20 1 1 A 55 55 PRO CA C 55 61.963 62.618 -0.655 1 1 621 . 20 1 1 A 55 55 PRO HA H 55 4.654 4.715 -0.061 1 1 622 . 20 1 1 A 55 55 PRO CB C 55 31.179 31.347 -0.168 1 1 631 . 20 1 1 A 55 55 PRO C C 55 177.168 177.845 -0.677 1 1 632 . 20 1 1 A 56 56 ALA N N 56 130.132 128.285 1.847 1 1 633 . 20 1 1 A 56 56 ALA H H 56 7.818 8.742 -0.924 1 1 634 . 20 1 1 A 56 56 ALA CA C 56 55.045 55.018 0.027 1 1 635 . 20 1 1 A 56 56 ALA HA H 56 3.032 4.019 -0.987 1 1 636 . 20 1 1 A 56 56 ALA CB C 56 16.542 17.138 -0.596 1 1 640 . 20 1 1 A 56 56 ALA C C 56 178.595 179.775 -1.180 1 1 641 . 20 1 1 A 57 57 LYS N N 57 110.974 115.968 -4.994 1 1 642 . 20 1 1 A 57 57 LYS H H 57 8.024 8.032 -0.008 1 1 643 . 20 1 1 A 57 57 LYS CA C 57 57.118 58.545 -1.427 1 1 644 . 20 1 1 A 57 57 LYS HA H 57 4.213 4.043 0.170 1 1 645 . 20 1 1 A 57 57 LYS CB C 57 31.641 31.615 0.026 1 1 657 . 20 1 1 A 57 57 LYS C C 57 177.053 178.090 -1.037 1 1 658 . 20 1 1 A 58 58 PHE N N 58 118.768 118.092 0.676 1 1 659 . 20 1 1 A 58 58 PHE H H 58 7.911 7.776 0.135 1 1 660 . 20 1 1 A 58 58 PHE CA C 58 56.933 60.393 -3.460 1 1 661 . 20 1 1 A 58 58 PHE HA H 58 4.739 4.332 0.407 1 1 662 . 20 1 1 A 58 58 PHE CB C 58 38.643 39.990 -1.347 1 1 675 . 20 1 1 A 58 58 PHE C C 58 174.837 175.913 -1.076 1 1 676 . 20 1 1 A 59 59 VAL N N 59 109.843 113.729 -3.886 1 1 677 . 20 1 1 A 59 59 VAL H H 59 7.796 7.710 0.086 1 1 678 . 20 1 1 A 59 59 VAL CA C 59 58.332 59.454 -1.122 1 1 679 . 20 1 1 A 59 59 VAL HA H 59 5.333 4.781 0.552 1 1 680 . 20 1 1 A 59 59 VAL CB C 59 35.704 34.376 1.328 1 1 690 . 20 1 1 A 59 59 VAL C C 59 173.452 173.987 -0.535 1 1 691 . 20 1 1 A 60 60 GLU N N 60 119.932 121.233 -1.301 1 1 692 . 20 1 1 A 60 60 GLU H H 60 8.699 8.987 -0.288 1 1 693 . 20 1 1 A 60 60 GLU CA C 60 54.202 54.485 -0.283 1 1 694 . 20 1 1 A 60 60 GLU HA H 60 4.863 5.160 -0.297 1 1 695 . 20 1 1 A 60 60 GLU CB C 60 33.573 33.027 0.546 1 1 701 . 20 1 1 A 60 60 GLU C C 60 176.100 175.901 0.199 1 1 702 . 20 1 1 A 61 61 VAL N N 61 127.661 126.959 0.702 1 1 703 . 20 1 1 A 61 61 VAL H H 61 9.107 8.765 0.342 1 1 704 . 20 1 1 A 61 61 VAL CA C 61 64.612 63.167 1.445 1 1 705 . 20 1 1 A 61 61 VAL HA H 61 3.957 4.360 -0.403 1 1 706 . 20 1 1 A 61 61 VAL CB C 61 31.875 32.285 -0.410 1 1 716 . 20 1 1 A 61 61 VAL C C 61 176.294 175.241 1.053 1 1 717 . 20 1 1 A 62 62 LEU N N 62 128.512 126.122 2.390 1 1 718 . 20 1 1 A 62 62 LEU H H 62 8.777 8.226 0.551 1 1 719 . 20 1 1 A 62 62 LEU CA C 62 54.677 53.602 1.075 1 1 720 . 20 1 1 A 62 62 LEU HA H 62 4.456 5.151 -0.695 1 1 721 . 20 1 1 A 62 62 LEU CB C 62 42.548 46.726 -4.178 1 1 734 . 20 1 1 A 62 62 LEU C C 62 176.888 175.482 1.406 1 1 735 . 20 1 1 A 63 63 ASP N N 63 122.605 120.596 2.009 1 1 736 . 20 1 1 A 63 63 ASP H H 63 8.588 8.600 -0.012 1 1 737 . 20 1 1 A 63 63 ASP CA C 63 53.971 53.788 0.183 1 1 738 . 20 1 1 A 63 63 ASP HA H 63 4.643 5.194 -0.551 1 1 739 . 20 1 1 A 63 63 ASP CB C 63 41.629 43.808 -2.179 1 1 742 . 20 1 1 A 63 63 ASP C C 63 176.460 174.264 2.196 1 1 743 . 20 1 1 A 64 64 GLU N N 64 122.614 123.504 -0.890 1 1 744 . 20 1 1 A 64 64 GLU H H 64 8.634 8.829 -0.195 1 1 745 . 20 1 1 A 64 64 GLU CA C 64 57.086 54.529 2.557 1 1 746 . 20 1 1 A 64 64 GLU HA H 64 4.158 4.823 -0.665 1 1 747 . 20 1 1 A 64 64 GLU CB C 64 30.055 32.988 -2.933 1 1 753 . 20 1 1 A 64 64 GLU C C 64 176.801 175.543 1.258 1 1 754 . 20 1 1 A 65 65 ARG N N 65 120.526 118.315 2.211 1 1 755 . 20 1 1 A 65 65 ARG H H 65 8.416 8.731 -0.315 1 1 756 . 20 1 1 A 65 65 ARG CA C 65 56.430 56.951 -0.521 1 1 757 . 20 1 1 A 65 65 ARG HA H 65 4.323 3.793 0.530 1 1 758 . 20 1 1 A 65 65 ARG CB C 65 30.493 27.967 2.526 1 1 767 . 20 1 1 A 65 65 ARG C C 65 176.896 174.514 2.382 1 1 768 . 20 1 1 A 66 66 SER N N 66 116.214 113.325 2.889 1 1 769 . 20 1 1 A 66 66 SER H H 66 8.225 7.868 0.357 1 1 770 . 20 1 1 A 66 66 SER CA C 66 58.732 56.155 2.577 1 1 771 . 20 1 1 A 66 66 SER HA H 66 4.799 4.922 -0.123 1 1 772 . 20 1 1 A 66 66 SER CB C 66 63.879 65.734 -1.855 1 1 775 . 20 1 1 A 66 66 SER C C 66 175.225 173.140 2.085 1 1 776 . 20 1 1 A 67 67 LYS CA C 67 56.993 57.581 -0.588 1 1 777 . 20 1 1 A 67 67 LYS HA H 67 4.270 4.292 -0.022 1 1 778 . 20 1 1 A 67 67 LYS CB C 67 32.724 33.172 -0.448 1 1 790 . 20 1 1 A 68 68 GLU N N 68 120.561 122.903 -2.342 1 1 791 . 20 1 1 A 68 68 GLU H H 68 8.417 8.879 -0.462 1 1 792 . 20 1 1 A 68 68 GLU CA C 68 57.144 54.730 2.414 1 1 793 . 20 1 1 A 68 68 GLU HA H 68 4.193 5.114 -0.921 1 1 794 . 20 1 1 A 68 68 GLU CB C 68 30.025 33.427 -3.402 1 1 800 . 20 1 1 A 68 68 GLU C C 68 176.828 174.328 2.500 1 1 801 . 20 1 1 A 69 69 TYR N N 69 120.399 121.189 -0.790 1 1 802 . 20 1 1 A 69 69 TYR H H 69 8.027 9.335 -1.308 1 1 803 . 20 1 1 A 69 69 TYR CA C 69 58.296 56.610 1.686 1 1 804 . 20 1 1 A 69 69 TYR HA H 69 4.504 5.158 -0.654 1 1 805 . 20 1 1 A 69 69 TYR CB C 69 38.965 41.801 -2.836 1 1 816 . 20 1 1 A 69 69 TYR C C 69 176.367 174.892 1.475 1 1 817 . 20 1 1 A 70 70 SER N N 70 117.031 119.304 -2.273 1 1 818 . 20 1 1 A 70 70 SER H H 70 8.067 8.734 -0.667 1 1 819 . 20 1 1 A 70 70 SER CA C 70 58.167 57.953 0.214 1 1 820 . 20 1 1 A 70 70 SER HA H 70 4.441 4.867 -0.426 1 1 821 . 20 1 1 A 70 70 SER CB C 70 63.911 63.017 0.894 1 1 824 . 20 1 1 A 70 70 SER C C 70 174.448 173.611 0.837 1 1 825 . 20 1 1 A 71 71 ILE N N 71 122.402 126.497 -4.095 1 1 826 . 20 1 1 A 71 71 ILE H H 71 8.083 8.773 -0.690 1 1 827 . 20 1 1 A 71 71 ILE CA C 71 61.411 59.733 1.678 1 1 828 . 20 1 1 A 71 71 ILE HA H 71 4.161 4.939 -0.778 1 1 829 . 20 1 1 A 71 71 ILE CB C 71 38.779 41.979 -3.200 1 1 842 . 20 1 1 A 71 71 ILE C C 71 176.172 174.468 1.704 1 1 843 . 20 1 1 A 72 72 ALA N N 72 127.574 127.036 0.538 1 1 844 . 20 1 1 A 72 72 ALA H H 72 8.306 8.603 -0.297 1 1 845 . 20 1 1 A 72 72 ALA CA C 72 52.631 51.525 1.106 1 1 846 . 20 1 1 A 72 72 ALA HA H 72 4.366 4.688 -0.322 1 1 847 . 20 1 1 A 72 72 ALA CB C 72 19.242 22.375 -3.133 1 1 851 . 20 1 1 A 72 72 ALA C C 72 177.702 175.934 1.768 1 1 852 . 20 1 1 A 73 73 SER N N 73 115.199 113.897 1.302 1 1 853 . 20 1 1 A 73 73 SER H H 73 8.223 8.618 -0.395 1 1 854 . 20 1 1 A 73 73 SER CA C 73 58.285 59.441 -1.156 1 1 855 . 20 1 1 A 73 73 SER HA H 73 4.471 4.066 0.405 1 1 856 . 20 1 1 A 73 73 SER CB C 73 64.233 61.902 2.331 1 1 859 . 20 1 1 A 73 73 SER C C 73 174.639 174.191 0.448 1 1 860 . 20 1 1 A 74 74 GLY N N 74 110.616 107.849 2.767 1 1 861 . 20 1 1 A 74 74 GLY H H 74 8.185 8.083 0.102 1 1 862 . 20 1 1 A 74 74 GLY CA C 74 44.677 47.149 -2.472 1 1 863 . 20 1 1 A 74 74 GLY HA2 H 74 4.171 3.794 0.377 1 1 864 . 20 1 1 A 74 74 GLY HA3 H 74 4.107 3.796 0.311 1 1 865 . 20 1 1 A 74 74 GLY C C 74 171.850 175.092 -3.242 1 1 866 . 20 1 1 A 75 75 PRO CA C 75 63.266 64.437 -1.171 1 1 867 . 20 1 1 A 75 75 PRO HA H 75 4.487 4.377 0.110 1 1 868 . 20 1 1 A 75 75 PRO CB C 75 32.196 31.608 0.588 1 1 877 . 20 1 1 A 76 76 SER N N 76 116.439 114.581 1.858 1 1 878 . 20 1 1 A 76 76 SER H H 76 8.562 7.843 0.719 1 1 879 . 20 1 1 A 76 76 SER CA C 76 58.747 58.867 -0.120 1 1 880 . 20 1 1 A 76 76 SER CB C 76 64.105 63.903 0.202 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 65 1.187 1 2 1 1 1 "RMS(OBS, PRED)" CA 71 1.399 1 3 1 1 1 "RMS(OBS, PRED)" CB 64 1.316 1 4 1 1 1 "RMS(OBS, PRED)" H 67 0.469 1 5 1 1 1 "RMS(OBS, PRED)" HA 76 0.430 1 6 1 1 1 "RMS(OBS, PRED)" N 67 3.041 1 7 1 2 1 "RMS(OBS, PRED)" C 65 1.248 1 8 1 2 1 "RMS(OBS, PRED)" CA 71 1.408 1 9 1 2 1 "RMS(OBS, PRED)" CB 64 1.273 1 10 1 2 1 "RMS(OBS, PRED)" H 67 0.500 1 11 1 2 1 "RMS(OBS, PRED)" HA 76 0.427 1 12 1 2 1 "RMS(OBS, PRED)" N 67 2.919 1 13 1 3 1 "RMS(OBS, PRED)" C 65 1.098 1 14 1 3 1 "RMS(OBS, PRED)" CA 71 1.299 1 15 1 3 1 "RMS(OBS, PRED)" CB 64 1.415 1 16 1 3 1 "RMS(OBS, PRED)" H 67 0.471 1 17 1 3 1 "RMS(OBS, PRED)" HA 76 0.389 1 18 1 3 1 "RMS(OBS, PRED)" N 67 3.060 1 19 1 4 1 "RMS(OBS, PRED)" C 65 1.111 1 20 1 4 1 "RMS(OBS, PRED)" CA 71 1.298 1 21 1 4 1 "RMS(OBS, PRED)" CB 64 1.349 1 22 1 4 1 "RMS(OBS, PRED)" H 67 0.468 1 23 1 4 1 "RMS(OBS, PRED)" HA 76 0.402 1 24 1 4 1 "RMS(OBS, PRED)" N 67 2.941 1 25 1 5 1 "RMS(OBS, PRED)" C 65 1.228 1 26 1 5 1 "RMS(OBS, PRED)" CA 71 1.353 1 27 1 5 1 "RMS(OBS, PRED)" CB 64 1.504 1 28 1 5 1 "RMS(OBS, PRED)" H 67 0.502 1 29 1 5 1 "RMS(OBS, PRED)" HA 76 0.429 1 30 1 5 1 "RMS(OBS, PRED)" N 67 2.803 1 31 1 6 1 "RMS(OBS, PRED)" C 65 1.167 1 32 1 6 1 "RMS(OBS, PRED)" CA 71 1.259 1 33 1 6 1 "RMS(OBS, PRED)" CB 64 1.252 1 34 1 6 1 "RMS(OBS, PRED)" H 67 0.467 1 35 1 6 1 "RMS(OBS, PRED)" HA 76 0.391 1 36 1 6 1 "RMS(OBS, PRED)" N 67 2.936 1 37 1 7 1 "RMS(OBS, PRED)" C 65 1.203 1 38 1 7 1 "RMS(OBS, PRED)" CA 71 1.279 1 39 1 7 1 "RMS(OBS, PRED)" CB 64 1.386 1 40 1 7 1 "RMS(OBS, PRED)" H 67 0.525 1 41 1 7 1 "RMS(OBS, PRED)" HA 76 0.425 1 42 1 7 1 "RMS(OBS, PRED)" N 67 2.899 1 43 1 8 1 "RMS(OBS, PRED)" C 65 1.198 1 44 1 8 1 "RMS(OBS, PRED)" CA 71 1.293 1 45 1 8 1 "RMS(OBS, PRED)" CB 64 1.342 1 46 1 8 1 "RMS(OBS, PRED)" H 67 0.520 1 47 1 8 1 "RMS(OBS, PRED)" HA 76 0.400 1 48 1 8 1 "RMS(OBS, PRED)" N 67 3.051 1 49 1 9 1 "RMS(OBS, PRED)" C 65 1.176 1 50 1 9 1 "RMS(OBS, PRED)" CA 71 1.419 1 51 1 9 1 "RMS(OBS, PRED)" CB 64 1.300 1 52 1 9 1 "RMS(OBS, PRED)" H 67 0.479 1 53 1 9 1 "RMS(OBS, PRED)" HA 76 0.392 1 54 1 9 1 "RMS(OBS, PRED)" N 67 2.878 1 55 1 10 1 "RMS(OBS, PRED)" C 65 1.088 1 56 1 10 1 "RMS(OBS, PRED)" CA 71 1.252 1 57 1 10 1 "RMS(OBS, PRED)" CB 64 1.353 1 58 1 10 1 "RMS(OBS, PRED)" H 67 0.502 1 59 1 10 1 "RMS(OBS, PRED)" HA 76 0.413 1 60 1 10 1 "RMS(OBS, PRED)" N 67 2.908 1 61 1 11 1 "RMS(OBS, PRED)" C 65 1.147 1 62 1 11 1 "RMS(OBS, PRED)" CA 71 1.321 1 63 1 11 1 "RMS(OBS, PRED)" CB 64 1.378 1 64 1 11 1 "RMS(OBS, PRED)" H 67 0.507 1 65 1 11 1 "RMS(OBS, PRED)" HA 76 0.429 1 66 1 11 1 "RMS(OBS, PRED)" N 67 3.119 1 67 1 12 1 "RMS(OBS, PRED)" C 65 1.134 1 68 1 12 1 "RMS(OBS, PRED)" CA 71 1.335 1 69 1 12 1 "RMS(OBS, PRED)" CB 64 1.251 1 70 1 12 1 "RMS(OBS, PRED)" H 67 0.496 1 71 1 12 1 "RMS(OBS, PRED)" HA 76 0.393 1 72 1 12 1 "RMS(OBS, PRED)" N 67 3.179 1 73 1 13 1 "RMS(OBS, PRED)" C 65 1.175 1 74 1 13 1 "RMS(OBS, PRED)" CA 71 1.275 1 75 1 13 1 "RMS(OBS, PRED)" CB 64 1.450 1 76 1 13 1 "RMS(OBS, PRED)" H 67 0.468 1 77 1 13 1 "RMS(OBS, PRED)" HA 76 0.399 1 78 1 13 1 "RMS(OBS, PRED)" N 67 3.510 1 79 1 14 1 "RMS(OBS, PRED)" C 65 1.245 1 80 1 14 1 "RMS(OBS, PRED)" CA 71 1.150 1 81 1 14 1 "RMS(OBS, PRED)" CB 64 1.284 1 82 1 14 1 "RMS(OBS, PRED)" H 67 0.485 1 83 1 14 1 "RMS(OBS, PRED)" HA 76 0.399 1 84 1 14 1 "RMS(OBS, PRED)" N 67 2.794 1 85 1 15 1 "RMS(OBS, PRED)" C 65 1.265 1 86 1 15 1 "RMS(OBS, PRED)" CA 71 1.463 1 87 1 15 1 "RMS(OBS, PRED)" CB 64 1.340 1 88 1 15 1 "RMS(OBS, PRED)" H 67 0.479 1 89 1 15 1 "RMS(OBS, PRED)" HA 76 0.415 1 90 1 15 1 "RMS(OBS, PRED)" N 67 2.937 1 91 1 16 1 "RMS(OBS, PRED)" C 65 1.148 1 92 1 16 1 "RMS(OBS, PRED)" CA 71 1.377 1 93 1 16 1 "RMS(OBS, PRED)" CB 64 1.307 1 94 1 16 1 "RMS(OBS, PRED)" H 67 0.498 1 95 1 16 1 "RMS(OBS, PRED)" HA 76 0.433 1 96 1 16 1 "RMS(OBS, PRED)" N 67 2.929 1 97 1 17 1 "RMS(OBS, PRED)" C 65 1.234 1 98 1 17 1 "RMS(OBS, PRED)" CA 71 1.278 1 99 1 17 1 "RMS(OBS, PRED)" CB 64 1.309 1 100 1 17 1 "RMS(OBS, PRED)" H 67 0.454 1 101 1 17 1 "RMS(OBS, PRED)" HA 76 0.384 1 102 1 17 1 "RMS(OBS, PRED)" N 67 3.065 1 103 1 18 1 "RMS(OBS, PRED)" C 65 1.176 1 104 1 18 1 "RMS(OBS, PRED)" CA 71 1.302 1 105 1 18 1 "RMS(OBS, PRED)" CB 64 1.379 1 106 1 18 1 "RMS(OBS, PRED)" H 67 0.508 1 107 1 18 1 "RMS(OBS, PRED)" HA 76 0.417 1 108 1 18 1 "RMS(OBS, PRED)" N 67 2.953 1 109 1 19 1 "RMS(OBS, PRED)" C 65 1.177 1 110 1 19 1 "RMS(OBS, PRED)" CA 71 1.263 1 111 1 19 1 "RMS(OBS, PRED)" CB 64 1.465 1 112 1 19 1 "RMS(OBS, PRED)" H 67 0.522 1 113 1 19 1 "RMS(OBS, PRED)" HA 76 0.377 1 114 1 19 1 "RMS(OBS, PRED)" N 67 3.205 1 115 1 20 1 "RMS(OBS, PRED)" C 65 1.353 1 116 1 20 1 "RMS(OBS, PRED)" CA 71 1.320 1 117 1 20 1 "RMS(OBS, PRED)" CB 64 1.549 1 118 1 20 1 "RMS(OBS, PRED)" H 67 0.517 1 119 1 20 1 "RMS(OBS, PRED)" HA 76 0.434 1 120 1 20 1 "RMS(OBS, PRED)" N 67 2.836 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 1 . 1 1 A 6 6 SER CA C 6 58.690 58.289 0.401 2 1 2 . 1 1 A 6 6 SER HA H 6 4.411 4.725 -0.314 2 1 3 . 1 1 A 7 7 GLY N N 7 110.826 111.569 -0.743 2 1 4 . 1 1 A 7 7 GLY H H 7 8.436 8.437 -0.001 2 1 5 . 1 1 A 7 7 GLY CA C 7 45.315 45.229 0.086 2 1 6 . 1 1 A 7 7 GLY HA2 H 7 4.029 4.101 -0.072 2 1 7 . 1 1 A 7 7 GLY HA3 H 7 3.918 4.110 -0.192 2 1 8 . 1 1 A 7 7 GLY C C 7 173.788 172.474 1.314 2 1 9 . 1 1 A 8 8 ARG N N 8 120.458 122.791 -2.333 2 1 10 . 1 1 A 8 8 ARG H H 8 8.272 8.471 -0.199 2 1 11 . 1 1 A 8 8 ARG CA C 8 55.715 54.131 1.584 2 1 12 . 1 1 A 8 8 ARG HA H 8 4.500 5.061 -0.561 2 1 13 . 1 1 A 8 8 ARG CB C 8 31.541 33.864 -2.323 2 1 22 . 1 1 A 8 8 ARG C C 8 175.201 174.964 0.237 2 1 23 . 1 1 A 9 9 ARG N N 9 121.537 120.600 0.937 2 1 24 . 1 1 A 9 9 ARG H H 9 8.879 8.543 0.336 2 1 25 . 1 1 A 9 9 ARG CA C 9 54.737 54.297 0.440 2 1 26 . 1 1 A 9 9 ARG HA H 9 5.288 5.293 -0.005 2 1 27 . 1 1 A 9 9 ARG CB C 9 34.064 34.015 0.049 2 1 36 . 1 1 A 9 9 ARG C C 9 174.910 174.361 0.549 2 1 37 . 1 1 A 10 10 ALA N N 10 122.000 125.005 -3.005 2 1 38 . 1 1 A 10 10 ALA H H 10 9.200 8.867 0.333 2 1 39 . 1 1 A 10 10 ALA CA C 10 50.229 50.085 0.144 2 1 40 . 1 1 A 10 10 ALA HA H 10 5.143 5.612 -0.469 2 1 41 . 1 1 A 10 10 ALA CB C 10 23.552 22.601 0.951 2 1 45 . 1 1 A 10 10 ALA C C 10 173.920 174.946 -1.026 2 1 46 . 1 1 A 11 11 LYS N N 11 121.984 122.271 -0.287 2 1 47 . 1 1 A 11 11 LYS H H 11 8.962 8.881 0.081 2 1 48 . 1 1 A 11 11 LYS CA C 11 53.936 54.954 -1.018 2 1 49 . 1 1 A 11 11 LYS HA H 11 5.043 4.830 0.213 2 1 50 . 1 1 A 11 11 LYS CB C 11 35.705 34.640 1.065 2 1 62 . 1 1 A 11 11 LYS C C 11 176.193 176.238 -0.045 2 1 63 . 1 1 A 12 12 ALA N N 12 128.384 128.914 -0.530 2 1 64 . 1 1 A 12 12 ALA H H 12 8.974 8.911 0.063 2 1 65 . 1 1 A 12 12 ALA CA C 12 52.878 52.404 0.474 2 1 66 . 1 1 A 12 12 ALA HA H 12 4.271 4.340 -0.069 2 1 67 . 1 1 A 12 12 ALA CB C 12 21.024 18.789 2.235 2 1 71 . 1 1 A 12 12 ALA C C 12 179.524 177.704 1.820 2 1 72 . 1 1 A 13 13 LEU N N 13 126.125 125.680 0.445 2 1 73 . 1 1 A 13 13 LEU H H 13 9.490 8.725 0.765 2 1 74 . 1 1 A 13 13 LEU CA C 13 55.697 56.204 -0.507 2 1 75 . 1 1 A 13 13 LEU HA H 13 4.258 4.275 -0.017 2 1 76 . 1 1 A 13 13 LEU CB C 13 43.073 42.809 0.264 2 1 89 . 1 1 A 13 13 LEU C C 13 175.705 176.833 -1.128 2 1 90 . 1 1 A 14 14 LEU N N 14 116.229 113.899 2.330 2 1 91 . 1 1 A 14 14 LEU H H 14 7.638 7.682 -0.044 2 1 92 . 1 1 A 14 14 LEU CA C 14 53.715 53.623 0.092 2 1 93 . 1 1 A 14 14 LEU HA H 14 4.436 4.762 -0.326 2 1 94 . 1 1 A 14 14 LEU CB C 14 45.286 44.239 1.047 2 1 107 . 1 1 A 14 14 LEU C C 14 173.987 174.915 -0.928 2 1 108 . 1 1 A 15 15 ASP N N 15 116.528 120.461 -3.933 2 1 109 . 1 1 A 15 15 ASP H H 15 8.047 8.631 -0.584 2 1 110 . 1 1 A 15 15 ASP CA C 15 54.712 53.746 0.966 2 1 111 . 1 1 A 15 15 ASP HA H 15 4.628 5.047 -0.419 2 1 112 . 1 1 A 15 15 ASP CB C 15 41.437 41.970 -0.533 2 1 115 . 1 1 A 16 16 PHE N N 16 123.405 125.610 -2.205 2 1 116 . 1 1 A 16 16 PHE H H 16 8.414 8.825 -0.411 2 1 117 . 1 1 A 16 16 PHE CA C 16 56.555 56.028 0.527 2 1 118 . 1 1 A 16 16 PHE HA H 16 4.576 4.954 -0.378 2 1 119 . 1 1 A 16 16 PHE CB C 16 41.647 40.998 0.649 2 1 132 . 1 1 A 17 17 GLU N N 17 127.173 126.019 1.154 2 1 133 . 1 1 A 17 17 GLU H H 17 7.775 8.305 -0.530 2 1 134 . 1 1 A 17 17 GLU CA C 17 54.469 55.059 -0.590 2 1 135 . 1 1 A 17 17 GLU HA H 17 4.025 4.354 -0.329 2 1 136 . 1 1 A 17 17 GLU CB C 17 30.119 29.865 0.254 2 1 142 . 1 1 A 17 17 GLU C C 17 174.327 175.431 -1.104 2 1 143 . 1 1 A 18 18 ARG N N 18 123.112 124.552 -1.440 2 1 144 . 1 1 A 18 18 ARG H H 18 7.721 8.127 -0.406 2 1 145 . 1 1 A 18 18 ARG CA C 18 55.738 56.056 -0.318 2 1 146 . 1 1 A 18 18 ARG HA H 18 3.665 3.738 -0.073 2 1 147 . 1 1 A 18 18 ARG CB C 18 30.846 30.531 0.315 2 1 156 . 1 1 A 18 18 ARG C C 18 175.954 176.332 -0.378 2 1 157 . 1 1 A 19 19 HIS N N 19 121.992 120.880 1.112 2 1 158 . 1 1 A 19 19 HIS H H 19 9.200 8.476 0.724 2 1 159 . 1 1 A 19 19 HIS CA C 19 56.774 57.819 -1.045 2 1 160 . 1 1 A 19 19 HIS HA H 19 4.612 4.424 0.188 2 1 161 . 1 1 A 19 19 HIS CB C 19 30.061 30.515 -0.454 2 1 168 . 1 1 A 19 19 HIS C C 19 174.151 174.509 -0.358 2 1 169 . 1 1 A 20 20 ASP N N 20 119.946 117.778 2.168 2 1 170 . 1 1 A 20 20 ASP H H 20 8.160 7.857 0.303 2 1 171 . 1 1 A 20 20 ASP CA C 20 53.371 53.280 0.091 2 1 172 . 1 1 A 20 20 ASP HA H 20 4.785 4.783 0.002 2 1 173 . 1 1 A 20 20 ASP CB C 20 43.492 43.089 0.403 2 1 176 . 1 1 A 20 20 ASP C C 20 176.571 176.215 0.356 2 1 177 . 1 1 A 21 21 ASP N N 21 119.329 124.272 -4.943 2 1 178 . 1 1 A 21 21 ASP H H 21 8.686 8.983 -0.297 2 1 179 . 1 1 A 21 21 ASP CA C 21 56.641 57.358 -0.717 2 1 180 . 1 1 A 21 21 ASP HA H 21 4.439 4.277 0.162 2 1 181 . 1 1 A 21 21 ASP CB C 21 40.977 40.447 0.530 2 1 184 . 1 1 A 21 21 ASP C C 21 176.619 177.883 -1.264 2 1 185 . 1 1 A 22 22 ASP N N 22 116.501 117.755 -1.254 2 1 186 . 1 1 A 22 22 ASP H H 22 8.702 8.188 0.514 2 1 187 . 1 1 A 22 22 ASP CA C 22 54.535 56.972 -2.437 2 1 188 . 1 1 A 22 22 ASP HA H 22 4.769 4.591 0.177 2 1 189 . 1 1 A 22 22 ASP CB C 22 40.833 40.965 -0.132 2 1 192 . 1 1 A 22 22 ASP C C 22 176.139 177.226 -1.087 2 1 193 . 1 1 A 23 23 GLU N N 23 119.696 118.912 0.784 2 1 194 . 1 1 A 23 23 GLU H H 23 7.540 8.028 -0.488 2 1 195 . 1 1 A 23 23 GLU CA C 23 55.398 57.178 -1.780 2 1 196 . 1 1 A 23 23 GLU HA H 23 4.519 4.035 0.484 2 1 197 . 1 1 A 23 23 GLU CB C 23 32.584 30.011 2.573 2 1 203 . 1 1 A 23 23 GLU C C 23 175.760 175.791 -0.031 2 1 204 . 1 1 A 24 24 LEU N N 24 125.257 126.091 -0.834 2 1 205 . 1 1 A 24 24 LEU H H 24 8.766 8.812 -0.046 2 1 206 . 1 1 A 24 24 LEU CA C 24 53.525 53.963 -0.438 2 1 207 . 1 1 A 24 24 LEU HA H 24 4.410 5.004 -0.594 2 1 208 . 1 1 A 24 24 LEU CB C 24 44.685 44.261 0.424 2 1 221 . 1 1 A 24 24 LEU C C 24 173.987 175.965 -1.978 2 1 222 . 1 1 A 25 25 GLY N N 25 107.345 114.090 -6.745 2 1 223 . 1 1 A 25 25 GLY H H 25 7.584 8.990 -1.406 2 1 224 . 1 1 A 25 25 GLY CA C 25 44.096 44.513 -0.417 2 1 225 . 1 1 A 25 25 GLY HA2 H 25 3.361 3.874 -0.513 2 1 226 . 1 1 A 25 25 GLY HA3 H 25 4.260 3.947 0.313 2 1 227 . 1 1 A 25 25 GLY C C 25 173.720 172.749 0.971 2 1 228 . 1 1 A 26 26 PHE N N 26 114.043 116.417 -2.374 2 1 229 . 1 1 A 26 26 PHE H H 26 8.330 8.224 0.106 2 1 230 . 1 1 A 26 26 PHE CA C 26 56.440 56.221 0.219 2 1 231 . 1 1 A 26 26 PHE HA H 26 4.749 5.195 -0.446 2 1 232 . 1 1 A 26 26 PHE CB C 26 40.494 41.077 -0.583 2 1 245 . 1 1 A 26 26 PHE C C 26 174.820 172.511 2.309 2 1 246 . 1 1 A 27 27 ARG N N 27 120.928 119.395 1.533 2 1 247 . 1 1 A 27 27 ARG H H 27 9.597 8.660 0.937 2 1 248 . 1 1 A 27 27 ARG CA C 27 53.054 54.264 -1.210 2 1 249 . 1 1 A 27 27 ARG HA H 27 4.974 4.923 0.051 2 1 250 . 1 1 A 27 27 ARG CB C 27 32.687 33.036 -0.349 2 1 259 . 1 1 A 27 27 ARG C C 27 175.511 175.645 -0.134 2 1 260 . 1 1 A 28 28 LYS N N 28 120.682 122.386 -1.704 2 1 261 . 1 1 A 28 28 LYS H H 28 8.922 8.630 0.292 2 1 262 . 1 1 A 28 28 LYS CA C 28 59.064 57.912 1.152 2 1 263 . 1 1 A 28 28 LYS HA H 28 3.220 4.026 -0.806 2 1 264 . 1 1 A 28 28 LYS CB C 28 32.826 32.418 0.408 2 1 276 . 1 1 A 28 28 LYS C C 28 177.019 177.295 -0.276 2 1 277 . 1 1 A 29 29 ASN N N 29 117.470 118.893 -1.423 2 1 278 . 1 1 A 29 29 ASN H H 29 8.728 9.274 -0.546 2 1 279 . 1 1 A 29 29 ASN CA C 29 56.477 54.314 2.163 2 1 280 . 1 1 A 29 29 ASN HA H 29 4.148 4.331 -0.183 2 1 281 . 1 1 A 29 29 ASN CB C 29 37.170 37.235 -0.065 2 1 287 . 1 1 A 29 29 ASN C C 29 174.716 173.673 1.042 2 1 288 . 1 1 A 30 30 ASP N N 30 122.549 116.861 5.689 2 1 289 . 1 1 A 30 30 ASP H H 30 8.527 7.726 0.801 2 1 290 . 1 1 A 30 30 ASP CA C 30 56.167 52.895 3.272 2 1 291 . 1 1 A 30 30 ASP HA H 30 4.596 5.112 -0.516 2 1 292 . 1 1 A 30 30 ASP CB C 30 41.797 43.210 -1.413 2 1 295 . 1 1 A 30 30 ASP C C 30 175.177 175.274 -0.097 2 1 296 . 1 1 A 31 31 ILE N N 31 119.187 123.303 -4.116 2 1 297 . 1 1 A 31 31 ILE H H 31 8.267 8.709 -0.442 2 1 298 . 1 1 A 31 31 ILE CA C 31 59.191 60.484 -1.293 2 1 299 . 1 1 A 31 31 ILE HA H 31 4.819 4.636 0.183 2 1 300 . 1 1 A 31 31 ILE CB C 31 36.702 38.450 -1.748 2 1 313 . 1 1 A 31 31 ILE C C 31 175.437 175.326 0.111 2 1 314 . 1 1 A 32 32 ILE N N 32 129.566 127.879 1.687 2 1 315 . 1 1 A 32 32 ILE H H 32 9.247 8.887 0.360 2 1 316 . 1 1 A 32 32 ILE CA C 32 60.211 59.545 0.666 2 1 317 . 1 1 A 32 32 ILE HA H 32 4.140 4.780 -0.640 2 1 318 . 1 1 A 32 32 ILE CB C 32 41.978 41.086 0.892 2 1 331 . 1 1 A 32 32 ILE C C 32 176.197 175.157 1.040 2 1 332 . 1 1 A 33 33 THR N N 33 123.061 122.457 0.604 2 1 333 . 1 1 A 33 33 THR H H 33 8.741 8.437 0.304 2 1 334 . 1 1 A 33 33 THR CA C 33 63.117 62.990 0.127 2 1 335 . 1 1 A 33 33 THR HA H 33 4.583 4.526 0.057 2 1 336 . 1 1 A 33 33 THR CB C 33 69.626 69.258 0.368 2 1 342 . 1 1 A 33 33 THR C C 33 174.011 174.153 -0.142 2 1 343 . 1 1 A 34 34 ILE N N 34 128.281 126.977 1.304 2 1 344 . 1 1 A 34 34 ILE H H 34 9.110 9.038 0.072 2 1 345 . 1 1 A 34 34 ILE CA C 34 61.566 60.912 0.654 2 1 346 . 1 1 A 34 34 ILE HA H 34 4.117 4.374 -0.257 2 1 347 . 1 1 A 34 34 ILE CB C 34 36.785 37.402 -0.617 2 1 360 . 1 1 A 34 34 ILE C C 34 175.420 175.453 -0.033 2 1 361 . 1 1 A 35 35 ILE N N 35 128.859 129.852 -0.993 2 1 362 . 1 1 A 35 35 ILE H H 35 9.359 9.076 0.283 2 1 363 . 1 1 A 35 35 ILE CA C 35 60.949 63.015 -2.066 2 1 364 . 1 1 A 35 35 ILE HA H 35 4.224 4.069 0.155 2 1 365 . 1 1 A 35 35 ILE CB C 35 38.186 38.359 -0.173 2 1 378 . 1 1 A 35 35 ILE C C 35 176.253 176.015 0.238 2 1 379 . 1 1 A 36 36 SER N N 36 111.665 113.365 -1.700 2 1 380 . 1 1 A 36 36 SER H H 36 7.882 7.816 0.066 2 1 381 . 1 1 A 36 36 SER CA C 36 57.605 56.618 0.987 2 1 382 . 1 1 A 36 36 SER HA H 36 4.525 4.753 -0.228 2 1 383 . 1 1 A 36 36 SER CB C 36 64.435 65.746 -1.311 2 1 386 . 1 1 A 36 36 SER C C 36 172.845 172.479 0.366 2 1 387 . 1 1 A 37 37 GLN N N 37 116.906 123.068 -6.162 2 1 388 . 1 1 A 37 37 GLN H H 37 8.055 8.626 -0.571 2 1 389 . 1 1 A 37 37 GLN CA C 37 54.718 54.189 0.529 2 1 390 . 1 1 A 37 37 GLN HA H 37 4.420 4.771 -0.351 2 1 391 . 1 1 A 37 37 GLN CB C 37 29.381 28.879 0.502 2 1 400 . 1 1 A 37 37 GLN C C 37 175.080 175.871 -0.791 2 1 401 . 1 1 A 38 38 LYS N N 38 124.909 125.401 -0.492 2 1 402 . 1 1 A 38 38 LYS H H 38 8.046 8.517 -0.471 2 1 403 . 1 1 A 38 38 LYS CA C 38 58.998 59.201 -0.203 2 1 404 . 1 1 A 38 38 LYS HA H 38 4.076 4.046 0.030 2 1 405 . 1 1 A 38 38 LYS CB C 38 33.116 32.719 0.397 2 1 417 . 1 1 A 38 38 LYS C C 38 176.508 176.157 0.351 2 1 418 . 1 1 A 39 39 ASP N N 39 117.133 116.633 0.500 2 1 419 . 1 1 A 39 39 ASP H H 39 8.296 8.293 0.003 2 1 420 . 1 1 A 39 39 ASP CA C 39 53.294 52.772 0.522 2 1 421 . 1 1 A 39 39 ASP HA H 39 4.558 5.031 -0.473 2 1 422 . 1 1 A 39 39 ASP CB C 39 41.847 43.826 -1.979 2 1 425 . 1 1 A 39 39 ASP C C 39 175.201 176.208 -1.007 2 1 426 . 1 1 A 40 40 GLU N N 40 116.223 122.810 -6.587 2 1 427 . 1 1 A 40 40 GLU H H 40 8.564 8.989 -0.425 2 1 428 . 1 1 A 40 40 GLU CA C 40 58.748 59.433 -0.685 2 1 429 . 1 1 A 40 40 GLU HA H 40 4.088 4.314 -0.226 2 1 430 . 1 1 A 40 40 GLU CB C 40 29.696 29.451 0.245 2 1 436 . 1 1 A 40 40 GLU C C 40 176.367 177.796 -1.429 2 1 437 . 1 1 A 41 41 HIS N N 41 114.612 115.115 -0.503 2 1 438 . 1 1 A 41 41 HIS H H 41 8.383 7.833 0.550 2 1 439 . 1 1 A 41 41 HIS CA C 41 56.873 57.290 -0.417 2 1 440 . 1 1 A 41 41 HIS HA H 41 4.613 4.349 0.264 2 1 441 . 1 1 A 41 41 HIS CB C 41 32.910 31.168 1.742 2 1 448 . 1 1 A 41 41 HIS C C 41 176.755 174.950 1.805 2 1 449 . 1 1 A 42 42 CYS N N 42 122.290 116.604 5.686 2 1 450 . 1 1 A 42 42 CYS H H 42 8.337 7.688 0.650 2 1 451 . 1 1 A 42 42 CYS CA C 42 58.168 57.712 0.456 2 1 452 . 1 1 A 42 42 CYS HA H 42 4.885 4.772 0.113 2 1 453 . 1 1 A 42 42 CYS CB C 42 29.227 29.245 -0.018 2 1 456 . 1 1 A 42 42 CYS C C 42 172.892 173.886 -0.994 2 1 457 . 1 1 A 43 43 TRP N N 43 127.114 124.796 2.318 2 1 458 . 1 1 A 43 43 TRP H H 43 8.333 8.765 -0.432 2 1 459 . 1 1 A 43 43 TRP CA C 43 53.262 55.746 -2.484 2 1 460 . 1 1 A 43 43 TRP HA H 43 5.307 5.219 0.088 2 1 461 . 1 1 A 43 43 TRP CB C 43 33.323 32.704 0.619 2 1 476 . 1 1 A 43 43 TRP C C 43 173.064 175.134 -2.070 2 1 477 . 1 1 A 44 44 VAL N N 44 117.650 120.969 -3.319 2 1 478 . 1 1 A 44 44 VAL H H 44 8.591 8.823 -0.232 2 1 479 . 1 1 A 44 44 VAL CA C 44 61.801 61.025 0.776 2 1 480 . 1 1 A 44 44 VAL HA H 44 4.739 5.026 -0.287 2 1 481 . 1 1 A 44 44 VAL CB C 44 32.962 33.665 -0.703 2 1 491 . 1 1 A 44 44 VAL C C 44 176.980 175.371 1.609 2 1 492 . 1 1 A 45 45 GLY N N 45 115.010 115.083 -0.073 2 1 493 . 1 1 A 45 45 GLY H H 45 9.469 8.798 0.671 2 1 494 . 1 1 A 45 45 GLY CA C 45 45.159 44.717 0.442 2 1 495 . 1 1 A 45 45 GLY HA2 H 45 3.769 4.389 -0.620 2 1 496 . 1 1 A 45 45 GLY HA3 H 45 5.478 4.574 0.904 2 1 497 . 1 1 A 45 45 GLY C C 45 170.022 172.559 -2.537 2 1 498 . 1 1 A 46 46 GLU N N 46 118.202 120.443 -2.241 2 1 499 . 1 1 A 46 46 GLU H H 46 9.072 9.000 0.072 2 1 500 . 1 1 A 46 46 GLU CA C 46 54.226 55.429 -1.203 2 1 501 . 1 1 A 46 46 GLU HA H 46 5.720 5.544 0.176 2 1 502 . 1 1 A 46 46 GLU CB C 46 34.724 33.072 1.652 2 1 508 . 1 1 A 46 46 GLU C C 46 174.843 174.677 0.166 2 1 509 . 1 1 A 47 47 LEU N N 47 125.182 126.687 -1.505 2 1 510 . 1 1 A 47 47 LEU H H 47 8.880 8.820 0.060 2 1 511 . 1 1 A 47 47 LEU CA C 47 55.064 53.998 1.066 2 1 512 . 1 1 A 47 47 LEU HA H 47 4.711 4.588 0.123 2 1 513 . 1 1 A 47 47 LEU CB C 47 45.900 45.133 0.767 2 1 526 . 1 1 A 47 47 LEU C C 47 176.130 175.260 0.870 2 1 527 . 1 1 A 48 48 ASN N N 48 127.515 124.701 2.814 2 1 528 . 1 1 A 48 48 ASN H H 48 9.796 9.338 0.458 2 1 529 . 1 1 A 48 48 ASN CA C 48 54.407 54.496 -0.089 2 1 530 . 1 1 A 48 48 ASN HA H 48 4.457 4.477 -0.020 2 1 531 . 1 1 A 48 48 ASN CB C 48 37.546 37.279 0.267 2 1 537 . 1 1 A 48 48 ASN C C 48 174.935 175.588 -0.653 2 1 538 . 1 1 A 49 49 GLY N N 49 104.068 104.394 -0.325 2 1 539 . 1 1 A 49 49 GLY H H 49 8.891 8.669 0.222 2 1 540 . 1 1 A 49 49 GLY CA C 49 45.471 46.124 -0.653 2 1 541 . 1 1 A 49 49 GLY HA2 H 49 3.621 3.930 -0.309 2 1 542 . 1 1 A 49 49 GLY HA3 H 49 4.230 3.933 0.297 2 1 543 . 1 1 A 49 49 GLY C C 49 173.671 173.858 -0.187 2 1 544 . 1 1 A 50 50 LEU N N 50 122.996 120.724 2.272 2 1 545 . 1 1 A 50 50 LEU H H 50 7.818 7.974 -0.156 2 1 546 . 1 1 A 50 50 LEU CA C 50 53.971 53.434 0.537 2 1 547 . 1 1 A 50 50 LEU HA H 50 4.727 4.883 -0.156 2 1 548 . 1 1 A 50 50 LEU CB C 50 43.482 45.171 -1.689 2 1 561 . 1 1 A 50 50 LEU C C 50 174.930 175.375 -0.445 2 1 562 . 1 1 A 51 51 ARG N N 51 119.072 122.019 -2.947 2 1 563 . 1 1 A 51 51 ARG H H 51 8.410 8.771 -0.361 2 1 564 . 1 1 A 51 51 ARG CA C 51 54.020 54.709 -0.689 2 1 565 . 1 1 A 51 51 ARG HA H 51 5.843 5.361 0.482 2 1 566 . 1 1 A 51 51 ARG CB C 51 34.724 32.963 1.761 2 1 575 . 1 1 A 51 51 ARG C C 51 176.707 175.522 1.185 2 1 576 . 1 1 A 52 52 GLY N N 52 109.058 110.970 -1.912 2 1 577 . 1 1 A 52 52 GLY H H 52 8.661 8.552 0.109 2 1 578 . 1 1 A 52 52 GLY CA C 52 45.683 45.833 -0.150 2 1 579 . 1 1 A 52 52 GLY HA2 H 52 3.975 4.454 -0.479 2 1 580 . 1 1 A 52 52 GLY HA3 H 52 4.248 4.467 -0.219 2 1 581 . 1 1 A 52 52 GLY C C 52 171.261 172.762 -1.501 2 1 582 . 1 1 A 53 53 TRP N N 53 119.558 118.031 1.527 2 1 583 . 1 1 A 53 53 TRP H H 53 8.825 8.891 -0.066 2 1 584 . 1 1 A 53 53 TRP CA C 53 55.402 55.303 0.099 2 1 585 . 1 1 A 53 53 TRP HA H 53 6.222 5.760 0.462 2 1 586 . 1 1 A 53 53 TRP CB C 53 31.856 32.522 -0.666 2 1 601 . 1 1 A 53 53 TRP C C 53 176.100 175.218 0.882 2 1 602 . 1 1 A 54 54 PHE N N 54 115.426 115.832 -0.407 2 1 603 . 1 1 A 54 54 PHE H H 54 8.976 8.614 0.362 2 1 604 . 1 1 A 54 54 PHE CA C 54 55.805 55.578 0.227 2 1 605 . 1 1 A 54 54 PHE HA H 54 4.833 4.527 0.306 2 1 606 . 1 1 A 54 54 PHE CB C 54 39.295 39.443 -0.148 2 1 619 . 1 1 A 54 54 PHE C C 54 171.898 171.869 0.029 2 1 620 . 1 1 A 55 55 PRO CA C 55 61.963 62.686 -0.723 2 1 621 . 1 1 A 55 55 PRO HA H 55 4.654 4.819 -0.165 2 1 622 . 1 1 A 55 55 PRO CB C 55 31.179 31.578 -0.399 2 1 631 . 1 1 A 55 55 PRO C C 55 177.168 177.763 -0.595 2 1 632 . 1 1 A 56 56 ALA N N 56 130.132 128.083 2.049 2 1 633 . 1 1 A 56 56 ALA H H 56 7.818 8.427 -0.609 2 1 634 . 1 1 A 56 56 ALA CA C 56 55.045 54.974 0.071 2 1 635 . 1 1 A 56 56 ALA HA H 56 3.032 4.019 -0.987 2 1 636 . 1 1 A 56 56 ALA CB C 56 16.542 17.147 -0.605 2 1 640 . 1 1 A 56 56 ALA C C 56 178.595 179.678 -1.083 2 1 641 . 1 1 A 57 57 LYS N N 57 110.974 116.070 -5.096 2 1 642 . 1 1 A 57 57 LYS H H 57 8.024 8.021 0.003 2 1 643 . 1 1 A 57 57 LYS CA C 57 57.118 58.689 -1.571 2 1 644 . 1 1 A 57 57 LYS HA H 57 4.213 4.052 0.161 2 1 645 . 1 1 A 57 57 LYS CB C 57 31.641 31.891 -0.250 2 1 657 . 1 1 A 57 57 LYS C C 57 177.053 178.297 -1.244 2 1 658 . 1 1 A 58 58 PHE N N 58 118.768 118.158 0.610 2 1 659 . 1 1 A 58 58 PHE H H 58 7.911 7.983 -0.072 2 1 660 . 1 1 A 58 58 PHE CA C 58 56.933 60.772 -3.839 2 1 661 . 1 1 A 58 58 PHE HA H 58 4.739 4.319 0.420 2 1 662 . 1 1 A 58 58 PHE CB C 58 38.643 39.336 -0.693 2 1 675 . 1 1 A 58 58 PHE C C 58 174.837 175.881 -1.044 2 1 676 . 1 1 A 59 59 VAL N N 59 109.843 113.737 -3.894 2 1 677 . 1 1 A 59 59 VAL H H 59 7.796 7.553 0.243 2 1 678 . 1 1 A 59 59 VAL CA C 59 58.332 59.533 -1.201 2 1 679 . 1 1 A 59 59 VAL HA H 59 5.333 4.809 0.524 2 1 680 . 1 1 A 59 59 VAL CB C 59 35.704 34.691 1.013 2 1 690 . 1 1 A 59 59 VAL C C 59 173.452 174.133 -0.681 2 1 691 . 1 1 A 60 60 GLU N N 60 119.932 120.989 -1.057 2 1 692 . 1 1 A 60 60 GLU H H 60 8.699 9.010 -0.311 2 1 693 . 1 1 A 60 60 GLU CA C 60 54.202 54.651 -0.449 2 1 694 . 1 1 A 60 60 GLU HA H 60 4.863 5.146 -0.283 2 1 695 . 1 1 A 60 60 GLU CB C 60 33.573 33.302 0.271 2 1 701 . 1 1 A 60 60 GLU C C 60 176.100 175.807 0.293 2 1 702 . 1 1 A 61 61 VAL N N 61 127.661 126.956 0.705 2 1 703 . 1 1 A 61 61 VAL H H 61 9.107 8.738 0.369 2 1 704 . 1 1 A 61 61 VAL CA C 61 64.612 62.867 1.745 2 1 705 . 1 1 A 61 61 VAL HA H 61 3.957 4.370 -0.413 2 1 706 . 1 1 A 61 61 VAL CB C 61 31.875 32.336 -0.461 2 1 716 . 1 1 A 61 61 VAL C C 61 176.294 175.307 0.987 2 1 717 . 1 1 A 62 62 LEU N N 62 128.512 125.470 3.042 2 1 718 . 1 1 A 62 62 LEU H H 62 8.777 8.386 0.391 2 1 719 . 1 1 A 62 62 LEU CA C 62 54.677 53.655 1.022 2 1 720 . 1 1 A 62 62 LEU HA H 62 4.456 4.997 -0.541 2 1 721 . 1 1 A 62 62 LEU CB C 62 42.548 45.369 -2.821 2 1 734 . 1 1 A 62 62 LEU C C 62 176.888 175.289 1.599 2 1 735 . 1 1 A 63 63 ASP N N 63 122.605 124.229 -1.624 2 1 736 . 1 1 A 63 63 ASP H H 63 8.588 8.867 -0.279 2 1 737 . 1 1 A 63 63 ASP CA C 63 53.971 53.110 0.861 2 1 738 . 1 1 A 63 63 ASP HA H 63 4.643 5.061 -0.418 2 1 739 . 1 1 A 63 63 ASP CB C 63 41.629 41.513 0.116 2 1 742 . 1 1 A 63 63 ASP C C 63 176.460 175.323 1.137 2 1 743 . 1 1 A 64 64 GLU N N 64 122.614 121.754 0.860 2 1 744 . 1 1 A 64 64 GLU H H 64 8.634 8.551 0.083 2 1 745 . 1 1 A 64 64 GLU CA C 64 57.086 56.661 0.425 2 1 746 . 1 1 A 64 64 GLU HA H 64 4.158 4.405 -0.247 2 1 747 . 1 1 A 64 64 GLU CB C 64 30.055 30.162 -0.107 2 1 753 . 1 1 A 64 64 GLU C C 64 176.801 176.273 0.528 2 1 754 . 1 1 A 65 65 ARG N N 65 120.526 120.184 0.342 2 1 755 . 1 1 A 65 65 ARG H H 65 8.416 8.334 0.082 2 1 756 . 1 1 A 65 65 ARG CA C 65 56.430 56.274 0.156 2 1 757 . 1 1 A 65 65 ARG HA H 65 4.323 4.433 -0.110 2 1 758 . 1 1 A 65 65 ARG CB C 65 30.493 30.371 0.122 2 1 767 . 1 1 A 65 65 ARG C C 65 176.896 175.467 1.429 2 1 768 . 1 1 A 66 66 SER N N 66 116.214 116.115 0.099 2 1 769 . 1 1 A 66 66 SER H H 66 8.225 8.247 -0.022 2 1 770 . 1 1 A 66 66 SER CA C 66 58.732 57.931 0.801 2 1 771 . 1 1 A 66 66 SER HA H 66 4.799 4.691 0.108 2 1 772 . 1 1 A 66 66 SER CB C 66 63.879 64.389 -0.510 2 1 775 . 1 1 A 66 66 SER C C 66 175.225 173.266 1.959 2 1 776 . 1 1 A 67 67 LYS CA C 67 56.993 55.825 1.168 2 1 777 . 1 1 A 67 67 LYS HA H 67 4.270 4.650 -0.380 2 1 778 . 1 1 A 67 67 LYS CB C 67 32.724 34.215 -1.491 2 1 790 . 1 1 A 68 68 GLU N N 68 120.561 123.053 -2.492 2 1 791 . 1 1 A 68 68 GLU H H 68 8.417 8.579 -0.162 2 1 792 . 1 1 A 68 68 GLU CA C 68 57.144 55.411 1.733 2 1 793 . 1 1 A 68 68 GLU HA H 68 4.193 4.782 -0.589 2 1 794 . 1 1 A 68 68 GLU CB C 68 30.025 32.203 -2.178 2 1 800 . 1 1 A 68 68 GLU C C 68 176.828 174.955 1.873 2 1 801 . 1 1 A 69 69 TYR N N 69 120.399 123.937 -3.538 2 1 802 . 1 1 A 69 69 TYR H H 69 8.027 8.846 -0.819 2 1 803 . 1 1 A 69 69 TYR CA C 69 58.296 57.185 1.111 2 1 804 . 1 1 A 69 69 TYR HA H 69 4.504 4.993 -0.489 2 1 805 . 1 1 A 69 69 TYR CB C 69 38.965 40.102 -1.137 2 1 816 . 1 1 A 69 69 TYR C C 69 176.367 175.236 1.131 2 1 817 . 1 1 A 70 70 SER N N 70 117.031 118.456 -1.425 2 1 818 . 1 1 A 70 70 SER H H 70 8.067 8.722 -0.655 2 1 819 . 1 1 A 70 70 SER CA C 70 58.167 58.342 -0.175 2 1 820 . 1 1 A 70 70 SER HA H 70 4.441 4.731 -0.290 2 1 821 . 1 1 A 70 70 SER CB C 70 63.911 64.386 -0.475 2 1 824 . 1 1 A 70 70 SER C C 70 174.448 174.145 0.303 2 1 825 . 1 1 A 71 71 ILE N N 71 122.402 121.899 0.503 2 1 826 . 1 1 A 71 71 ILE H H 71 8.083 8.416 -0.333 2 1 827 . 1 1 A 71 71 ILE CA C 71 61.411 60.688 0.723 2 1 828 . 1 1 A 71 71 ILE HA H 71 4.161 4.503 -0.342 2 1 829 . 1 1 A 71 71 ILE CB C 71 38.779 39.912 -1.133 2 1 842 . 1 1 A 71 71 ILE C C 71 176.172 175.470 0.702 2 1 843 . 1 1 A 72 72 ALA N N 72 127.574 126.999 0.575 2 1 844 . 1 1 A 72 72 ALA H H 72 8.306 8.520 -0.214 2 1 845 . 1 1 A 72 72 ALA CA C 72 52.631 51.408 1.223 2 1 846 . 1 1 A 72 72 ALA HA H 72 4.366 4.729 -0.363 2 1 847 . 1 1 A 72 72 ALA CB C 72 19.242 20.963 -1.721 2 1 851 . 1 1 A 72 72 ALA C C 72 177.702 176.534 1.168 2 1 852 . 1 1 A 73 73 SER N N 73 115.199 115.932 -0.733 2 1 853 . 1 1 A 73 73 SER H H 73 8.223 8.538 -0.315 2 1 854 . 1 1 A 73 73 SER CA C 73 58.285 58.057 0.228 2 1 855 . 1 1 A 73 73 SER HA H 73 4.471 4.720 -0.249 2 1 856 . 1 1 A 73 73 SER CB C 73 64.233 64.282 -0.049 2 1 859 . 1 1 A 73 73 SER C C 73 174.639 174.147 0.492 2 1 860 . 1 1 A 74 74 GLY N N 74 110.616 111.011 -0.395 2 1 861 . 1 1 A 74 74 GLY H H 74 8.185 8.378 -0.193 2 1 862 . 1 1 A 74 74 GLY CA C 74 44.677 45.679 -1.002 2 1 863 . 1 1 A 74 74 GLY HA2 H 74 4.171 4.117 0.054 2 1 864 . 1 1 A 74 74 GLY HA3 H 74 4.107 4.118 -0.011 2 1 865 . 1 1 A 74 74 GLY C C 74 171.850 173.598 -1.748 2 1 866 . 1 1 A 75 75 PRO CA C 75 63.266 63.420 -0.154 2 1 867 . 1 1 A 75 75 PRO HA H 75 4.487 4.537 -0.050 2 1 868 . 1 1 A 75 75 PRO CB C 75 32.196 31.569 0.627 2 1 877 . 1 1 A 76 76 SER N N 76 116.439 115.820 0.619 2 1 878 . 1 1 A 76 76 SER H H 76 8.562 8.256 0.306 2 1 879 . 1 1 A 76 76 SER CA C 76 58.747 58.456 0.291 2 1 880 . 1 1 A 76 76 SER CB C 76 64.105 64.099 0.006 2 stop_ save_