data_10297_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10297
_Entry.PDB_ID 2E19
_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 HA H 6 4.502 4.254 0.248 1
1 4 . 1 1 1 A 6 6 SER C C 6 175.076 174.342 0.734 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.733 60.567 -1.834 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.809 63.615 0.194 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.416 8.492 -0.076 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.966 4.044 -0.078 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.966 4.044 -0.078 1
1 10 . 1 1 1 A 7 7 GLY C C 7 173.813 173.552 0.261 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.226 45.931 -0.705 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.646 114.165 -3.519 1
1 13 . 1 1 1 A 8 8 GLN H H 8 8.187 7.996 0.191 1
1 14 . 1 1 1 A 8 8 GLN HA H 8 4.656 4.776 -0.120 1
1 21 . 1 1 1 A 8 8 GLN C C 8 173.741 173.374 0.367 1
1 22 . 1 1 1 A 8 8 GLN CA C 8 53.677 52.459 1.218 1
1 23 . 1 1 1 A 8 8 GLN CB C 8 29.079 30.627 -1.548 1
1 25 . 1 1 1 A 8 8 GLN N N 8 120.767 117.797 2.970 1
1 27 . 1 1 1 A 9 9 PRO HA H 9 4.723 4.709 0.014 1
1 34 . 1 1 1 A 9 9 PRO CB C 9 27.766 31.713 -3.947 1
1 37 . 1 1 1 A 10 10 PRO HA H 10 4.444 4.569 -0.125 1
1 43 . 1 1 1 A 10 10 PRO C C 10 177.309 175.971 1.338 1
1 44 . 1 1 1 A 10 10 PRO CA C 10 63.083 62.194 0.889 1
1 45 . 1 1 1 A 10 10 PRO CB C 10 31.881 32.671 -0.790 1
1 48 . 1 1 1 A 11 11 LEU H H 11 8.323 8.464 -0.141 1
1 49 . 1 1 1 A 11 11 LEU HA H 11 4.105 4.441 -0.336 1
1 59 . 1 1 1 A 11 11 LEU C C 11 178.232 177.646 0.586 1
1 60 . 1 1 1 A 11 11 LEU CA C 11 56.572 54.804 1.768 1
1 61 . 1 1 1 A 11 11 LEU CB C 11 42.000 43.225 -1.225 1
1 64 . 1 1 1 A 11 11 LEU N N 11 122.449 122.923 -0.474 1
1 65 . 1 1 1 A 12 12 LYS H H 12 8.319 8.674 -0.355 1
1 66 . 1 1 1 A 12 12 LYS HA H 12 3.986 4.033 -0.047 1
1 73 . 1 1 1 A 12 12 LYS C C 12 177.722 178.053 -0.331 1
1 74 . 1 1 1 A 12 12 LYS CA C 12 58.842 59.156 -0.314 1
1 75 . 1 1 1 A 12 12 LYS CB C 12 32.388 31.949 0.439 1
1 79 . 1 1 1 A 12 12 LYS N N 12 118.575 125.093 -6.518 1
1 80 . 1 1 1 A 13 13 ASN H H 13 8.076 8.205 -0.129 1
1 81 . 1 1 1 A 13 13 ASN HA H 13 4.597 4.443 0.154 1
1 86 . 1 1 1 A 13 13 ASN C C 13 176.702 177.778 -1.076 1
1 87 . 1 1 1 A 13 13 ASN CA C 13 54.525 56.401 -1.876 1
1 88 . 1 1 1 A 13 13 ASN CB C 13 38.035 37.895 0.140 1
1 89 . 1 1 1 A 13 13 ASN N N 13 117.381 118.530 -1.149 1
1 91 . 1 1 1 A 14 14 LEU H H 14 7.948 8.678 -0.730 1
1 92 . 1 1 1 A 14 14 LEU HA H 14 4.099 3.956 0.143 1
1 102 . 1 1 1 A 14 14 LEU C C 14 177.868 178.280 -0.412 1
1 103 . 1 1 1 A 14 14 LEU CA C 14 56.861 58.867 -2.006 1
1 104 . 1 1 1 A 14 14 LEU CB C 14 42.012 41.831 0.181 1
1 108 . 1 1 1 A 14 14 LEU N N 14 121.775 121.858 -0.083 1
1 109 . 1 1 1 A 15 15 LEU H H 15 7.996 8.204 -0.208 1
1 110 . 1 1 1 A 15 15 LEU HA H 15 3.705 3.722 -0.017 1
1 120 . 1 1 1 A 15 15 LEU C C 15 178.887 178.999 -0.112 1
1 121 . 1 1 1 A 15 15 LEU CA C 15 58.201 58.057 0.144 1
1 122 . 1 1 1 A 15 15 LEU CB C 15 41.067 41.530 -0.463 1
1 126 . 1 1 1 A 15 15 LEU N N 15 119.072 119.926 -0.854 1
1 127 . 1 1 1 A 16 16 SER H H 16 7.968 7.972 -0.004 1
1 128 . 1 1 1 A 16 16 SER HA H 16 4.064 4.102 -0.038 1
1 131 . 1 1 1 A 16 16 SER C C 16 176.897 177.235 -0.338 1
1 132 . 1 1 1 A 16 16 SER CA C 16 61.915 61.737 0.178 1
1 133 . 1 1 1 A 16 16 SER CB C 16 62.496 63.012 -0.516 1
1 134 . 1 1 1 A 16 16 SER N N 16 113.400 113.525 -0.125 1
1 135 . 1 1 1 A 17 17 LEU H H 17 7.487 8.524 -1.037 1
1 136 . 1 1 1 A 17 17 LEU HA H 17 3.980 3.962 0.018 1
1 140 . 1 1 1 A 17 17 LEU C C 17 178.547 179.094 -0.547 1
1 141 . 1 1 1 A 17 17 LEU CA C 17 58.205 58.068 0.137 1
1 142 . 1 1 1 A 17 17 LEU CB C 17 41.973 41.486 0.487 1
1 143 . 1 1 1 A 17 17 LEU N N 17 122.840 121.788 1.052 1
1 144 . 1 1 1 A 18 18 LEU H H 18 7.950 8.075 -0.125 1
1 145 . 1 1 1 A 18 18 LEU HA H 18 3.982 3.816 0.166 1
1 154 . 1 1 1 A 18 18 LEU C C 18 178.645 178.680 -0.035 1
1 155 . 1 1 1 A 18 18 LEU CA C 18 58.203 57.801 0.402 1
1 156 . 1 1 1 A 18 18 LEU CB C 18 38.932 40.612 -1.680 1
1 160 . 1 1 1 A 18 18 LEU N N 18 118.407 118.702 -0.295 1
1 161 . 1 1 1 A 19 19 LYS H H 19 8.352 7.993 0.359 1
1 162 . 1 1 1 A 19 19 LYS HA H 19 4.051 4.172 -0.121 1
1 169 . 1 1 1 A 19 19 LYS C C 19 178.960 179.065 -0.105 1
1 170 . 1 1 1 A 19 19 LYS CA C 19 60.537 59.975 0.562 1
1 171 . 1 1 1 A 19 19 LYS CB C 19 32.332 32.323 0.009 1
1 175 . 1 1 1 A 19 19 LYS N N 19 118.242 116.777 1.465 1
1 176 . 1 1 1 A 20 20 ALA H H 20 7.717 7.727 -0.010 1
1 177 . 1 1 1 A 20 20 ALA HA H 20 4.202 4.046 0.156 1
1 181 . 1 1 1 A 20 20 ALA C C 20 180.732 179.668 1.064 1
1 182 . 1 1 1 A 20 20 ALA CA C 20 54.879 55.116 -0.237 1
1 183 . 1 1 1 A 20 20 ALA CB C 20 17.608 18.397 -0.789 1
1 184 . 1 1 1 A 20 20 ALA N N 20 122.505 121.868 0.637 1
1 185 . 1 1 1 A 21 21 TYR HA H 21 4.236 4.327 -0.091 1
1 192 . 1 1 1 A 21 21 TYR C C 21 178.839 178.351 0.488 1
1 193 . 1 1 1 A 21 21 TYR CA C 21 63.047 60.468 2.579 1
1 194 . 1 1 1 A 21 21 TYR CB C 21 38.388 38.630 -0.242 1
1 199 . 1 1 1 A 22 22 TYR H H 22 8.857 8.100 0.757 1
1 200 . 1 1 1 A 22 22 TYR HA H 22 4.305 4.855 -0.550 1
1 207 . 1 1 1 A 22 22 TYR C C 22 176.338 177.878 -1.540 1
1 208 . 1 1 1 A 22 22 TYR CA C 22 61.389 62.026 -0.637 1
1 209 . 1 1 1 A 22 22 TYR CB C 22 38.790 39.202 -0.412 1
1 214 . 1 1 1 A 22 22 TYR N N 22 122.639 119.087 3.552 1
1 215 . 1 1 1 A 23 23 ALA H H 23 7.762 8.203 -0.441 1
1 216 . 1 1 1 A 23 23 ALA HA H 23 4.047 4.012 0.035 1
1 220 . 1 1 1 A 23 23 ALA C C 23 179.179 178.907 0.272 1
1 221 . 1 1 1 A 23 23 ALA CA C 23 53.906 55.166 -1.260 1
1 222 . 1 1 1 A 23 23 ALA CB C 23 18.328 18.691 -0.363 1
1 223 . 1 1 1 A 23 23 ALA N N 23 117.361 121.827 -4.466 1
1 224 . 1 1 1 A 24 24 LEU H H 24 7.267 7.863 -0.596 1
1 225 . 1 1 1 A 24 24 LEU HA H 24 4.210 4.392 -0.182 1
1 235 . 1 1 1 A 24 24 LEU C C 24 177.673 176.500 1.173 1
1 236 . 1 1 1 A 24 24 LEU CA C 24 56.382 55.895 0.487 1
1 237 . 1 1 1 A 24 24 LEU CB C 24 42.933 42.812 0.121 1
1 241 . 1 1 1 A 24 24 LEU N N 24 117.259 113.366 3.893 1
1 242 . 1 1 1 A 25 25 ASN H H 25 7.862 8.034 -0.172 1
1 243 . 1 1 1 A 25 25 ASN HA H 25 4.466 4.831 -0.365 1
1 248 . 1 1 1 A 25 25 ASN C C 25 173.036 175.748 -2.712 1
1 249 . 1 1 1 A 25 25 ASN CA C 25 53.077 51.932 1.145 1
1 250 . 1 1 1 A 25 25 ASN CB C 25 37.853 38.054 -0.201 1
1 251 . 1 1 1 A 25 25 ASN N N 25 116.521 118.665 -2.144 1
1 253 . 1 1 1 A 26 26 ALA H H 26 8.283 8.646 -0.363 1
1 254 . 1 1 1 A 26 26 ALA HA H 26 3.905 4.100 -0.195 1
1 258 . 1 1 1 A 26 26 ALA C C 26 177.212 178.011 -0.799 1
1 259 . 1 1 1 A 26 26 ALA CA C 26 53.323 55.309 -1.986 1
1 260 . 1 1 1 A 26 26 ALA CB C 26 19.548 19.286 0.262 1
1 261 . 1 1 1 A 26 26 ALA N N 26 126.202 128.469 -2.267 1
1 262 . 1 1 1 A 27 27 GLN H H 27 7.729 7.992 -0.263 1
1 263 . 1 1 1 A 27 27 GLN HA H 27 4.619 4.665 -0.046 1
1 270 . 1 1 1 A 27 27 GLN C C 27 172.090 174.064 -1.974 1
1 271 . 1 1 1 A 27 27 GLN CA C 27 52.706 53.049 -0.343 1
1 272 . 1 1 1 A 27 27 GLN CB C 27 29.636 28.645 0.991 1
1 274 . 1 1 1 A 27 27 GLN N N 27 113.721 113.674 0.047 1
1 276 . 1 1 1 A 28 28 PRO HA H 28 4.485 4.421 0.064 1
1 283 . 1 1 1 A 28 28 PRO C C 28 177.018 176.834 0.184 1
1 284 . 1 1 1 A 28 28 PRO CA C 28 62.562 62.685 -0.123 1
1 285 . 1 1 1 A 28 28 PRO CB C 28 31.813 32.000 -0.187 1
1 288 . 1 1 1 A 29 29 SER H H 29 9.097 8.250 0.847 1
1 289 . 1 1 1 A 29 29 SER HA H 29 4.398 4.589 -0.191 1
1 292 . 1 1 1 A 29 29 SER C C 29 174.372 175.257 -0.885 1
1 293 . 1 1 1 A 29 29 SER CA C 29 56.986 57.112 -0.126 1
1 294 . 1 1 1 A 29 29 SER CB C 29 65.661 65.220 0.441 1
1 295 . 1 1 1 A 29 29 SER N N 29 118.156 115.019 3.137 1
1 296 . 1 1 1 A 30 30 ALA H H 30 8.916 8.913 0.003 1
1 297 . 1 1 1 A 30 30 ALA HA H 30 3.965 3.999 -0.034 1
1 301 . 1 1 1 A 30 30 ALA C C 30 180.732 180.103 0.629 1
1 302 . 1 1 1 A 30 30 ALA CA C 30 56.044 55.570 0.474 1
1 303 . 1 1 1 A 30 30 ALA CB C 30 17.925 18.169 -0.244 1
1 304 . 1 1 1 A 30 30 ALA N N 30 123.162 123.538 -0.376 1
1 305 . 1 1 1 A 31 31 GLU H H 31 8.591 8.153 0.438 1
1 306 . 1 1 1 A 31 31 GLU HA H 31 4.011 3.970 0.041 1
1 310 . 1 1 1 A 31 31 GLU C C 31 179.519 179.395 0.124 1
1 311 . 1 1 1 A 31 31 GLU CA C 31 59.788 59.621 0.167 1
1 312 . 1 1 1 A 31 31 GLU CB C 31 29.349 29.302 0.047 1
1 314 . 1 1 1 A 31 31 GLU N N 31 118.280 118.200 0.080 1
1 315 . 1 1 1 A 32 32 GLU H H 32 7.702 7.781 -0.079 1
1 316 . 1 1 1 A 32 32 GLU HA H 32 3.844 4.071 -0.227 1
1 320 . 1 1 1 A 32 32 GLU C C 32 179.446 179.009 0.437 1
1 321 . 1 1 1 A 32 32 GLU CA C 32 59.408 58.855 0.553 1
1 322 . 1 1 1 A 32 32 GLU CB C 32 29.829 30.095 -0.266 1
1 324 . 1 1 1 A 32 32 GLU N N 32 121.025 120.073 0.952 1
1 325 . 1 1 1 A 33 33 LEU H H 33 8.679 8.434 0.245 1
1 326 . 1 1 1 A 33 33 LEU HA H 33 3.645 3.918 -0.273 1
1 336 . 1 1 1 A 33 33 LEU C C 33 178.378 178.837 -0.459 1
1 337 . 1 1 1 A 33 33 LEU CA C 33 58.218 57.685 0.533 1
1 338 . 1 1 1 A 33 33 LEU CB C 33 42.339 41.716 0.623 1
1 342 . 1 1 1 A 33 33 LEU N N 33 119.993 121.549 -1.556 1
1 343 . 1 1 1 A 34 34 SER H H 34 7.727 8.226 -0.499 1
1 344 . 1 1 1 A 34 34 SER HA H 34 4.116 4.037 0.079 1
1 347 . 1 1 1 A 34 34 SER C C 34 176.484 177.128 -0.644 1
1 348 . 1 1 1 A 34 34 SER CA C 34 62.063 61.546 0.517 1
1 349 . 1 1 1 A 34 34 SER CB C 34 62.725 62.979 -0.254 1
1 350 . 1 1 1 A 34 34 SER N N 34 113.341 113.368 -0.027 1
1 351 . 1 1 1 A 35 35 LYS H H 35 7.525 7.832 -0.307 1
1 352 . 1 1 1 A 35 35 LYS HA H 35 4.122 3.979 0.143 1
1 361 . 1 1 1 A 35 35 LYS C C 35 180.368 178.619 1.749 1
1 362 . 1 1 1 A 35 35 LYS CA C 35 59.502 59.706 -0.204 1
1 363 . 1 1 1 A 35 35 LYS CB C 35 32.414 32.199 0.215 1
1 367 . 1 1 1 A 35 35 LYS N N 35 120.812 121.090 -0.278 1
1 368 . 1 1 1 A 36 36 ILE H H 36 8.219 8.297 -0.078 1
1 369 . 1 1 1 A 36 36 ILE HA H 36 3.280 3.409 -0.129 1
1 379 . 1 1 1 A 36 36 ILE C C 36 178.159 178.042 0.117 1
1 380 . 1 1 1 A 36 36 ILE CA C 36 65.794 64.849 0.945 1
1 381 . 1 1 1 A 36 36 ILE CB C 36 38.008 37.224 0.784 1
1 385 . 1 1 1 A 36 36 ILE N N 36 122.240 119.639 2.601 1
1 386 . 1 1 1 A 37 37 ALA H H 37 8.438 8.199 0.239 1
1 387 . 1 1 1 A 37 37 ALA HA H 37 3.862 3.986 -0.124 1
1 391 . 1 1 1 A 37 37 ALA C C 37 179.276 178.665 0.611 1
1 392 . 1 1 1 A 37 37 ALA CA C 37 56.223 55.622 0.601 1
1 393 . 1 1 1 A 37 37 ALA CB C 37 17.186 18.371 -1.185 1
1 394 . 1 1 1 A 37 37 ALA N N 37 122.058 122.823 -0.765 1
1 395 . 1 1 1 A 38 38 ASP H H 38 8.072 8.034 0.038 1
1 396 . 1 1 1 A 38 38 ASP HA H 38 4.495 4.380 0.115 1
1 399 . 1 1 1 A 38 38 ASP C C 38 178.984 177.939 1.045 1
1 400 . 1 1 1 A 38 38 ASP CA C 38 56.857 56.783 0.074 1
1 401 . 1 1 1 A 38 38 ASP CB C 38 40.813 41.413 -0.600 1
1 402 . 1 1 1 A 38 38 ASP N N 38 115.894 119.088 -3.194 1
1 403 . 1 1 1 A 39 39 SER H H 39 7.954 7.453 0.501 1
1 404 . 1 1 1 A 39 39 SER HA H 39 4.247 4.314 -0.067 1
1 406 . 1 1 1 A 39 39 SER C C 39 175.610 176.100 -0.490 1
1 407 . 1 1 1 A 39 39 SER CA C 39 61.580 62.144 -0.564 1
1 408 . 1 1 1 A 39 39 SER CB C 39 63.373 63.589 -0.216 1
1 409 . 1 1 1 A 39 39 SER N N 39 114.432 115.957 -1.525 1
1 410 . 1 1 1 A 40 40 VAL H H 40 7.850 7.335 0.515 1
1 411 . 1 1 1 A 40 40 VAL HA H 40 4.456 4.258 0.198 1
1 419 . 1 1 1 A 40 40 VAL C C 40 174.445 175.951 -1.506 1
1 420 . 1 1 1 A 40 40 VAL CA C 40 60.913 61.258 -0.345 1
1 421 . 1 1 1 A 40 40 VAL CB C 40 31.778 31.085 0.693 1
1 424 . 1 1 1 A 40 40 VAL N N 40 111.349 115.047 -3.698 1
1 425 . 1 1 1 A 41 41 ASN H H 41 7.804 8.098 -0.294 1
1 426 . 1 1 1 A 41 41 ASN HA H 41 4.348 4.306 0.042 1
1 431 . 1 1 1 A 41 41 ASN C C 41 174.008 173.710 0.298 1
1 432 . 1 1 1 A 41 41 ASN CA C 41 54.066 54.240 -0.174 1
1 433 . 1 1 1 A 41 41 ASN CB C 41 37.225 37.634 -0.409 1
1 434 . 1 1 1 A 41 41 ASN N N 41 117.410 119.291 -1.881 1
1 436 . 1 1 1 A 42 42 LEU H H 42 7.904 7.460 0.444 1
1 437 . 1 1 1 A 42 42 LEU HA H 42 5.001 4.800 0.201 1
1 447 . 1 1 1 A 42 42 LEU C C 42 173.886 174.332 -0.446 1
1 448 . 1 1 1 A 42 42 LEU CA C 42 51.484 51.551 -0.067 1
1 449 . 1 1 1 A 42 42 LEU CB C 42 45.928 44.177 1.751 1
1 453 . 1 1 1 A 42 42 LEU N N 42 117.347 119.264 -1.917 1
1 454 . 1 1 1 A 43 43 PRO HA H 43 4.423 4.572 -0.149 1
1 461 . 1 1 1 A 43 43 PRO C C 43 178.013 176.488 1.525 1
1 462 . 1 1 1 A 43 43 PRO CA C 43 62.234 62.301 -0.067 1
1 463 . 1 1 1 A 43 43 PRO CB C 43 32.616 33.498 -0.882 1
1 466 . 1 1 1 A 44 44 LEU H H 44 8.758 8.842 -0.084 1
1 467 . 1 1 1 A 44 44 LEU HA H 44 3.780 4.216 -0.436 1
1 477 . 1 1 1 A 44 44 LEU C C 44 178.208 178.134 0.074 1
1 478 . 1 1 1 A 44 44 LEU CA C 44 58.592 56.846 1.746 1
1 479 . 1 1 1 A 44 44 LEU CB C 44 41.747 42.065 -0.318 1
1 483 . 1 1 1 A 44 44 LEU N N 44 125.847 122.181 3.666 1
1 484 . 1 1 1 A 45 45 ASP H H 45 8.822 8.429 0.393 1
1 485 . 1 1 1 A 45 45 ASP HA H 45 4.270 4.394 -0.124 1
1 488 . 1 1 1 A 45 45 ASP C C 45 178.523 178.553 -0.030 1
1 489 . 1 1 1 A 45 45 ASP CA C 45 57.621 57.121 0.500 1
1 490 . 1 1 1 A 45 45 ASP CB C 45 40.612 40.233 0.379 1
1 491 . 1 1 1 A 45 45 ASP N N 45 114.687 118.029 -3.342 1
1 492 . 1 1 1 A 46 46 VAL H H 46 7.098 7.982 -0.884 1
1 493 . 1 1 1 A 46 46 VAL HA H 46 3.707 3.722 -0.015 1
1 501 . 1 1 1 A 46 46 VAL C C 46 178.353 178.507 -0.154 1
1 502 . 1 1 1 A 46 46 VAL CA C 46 65.770 65.866 -0.096 1
1 503 . 1 1 1 A 46 46 VAL CB C 46 32.179 31.752 0.427 1
1 506 . 1 1 1 A 46 46 VAL N N 46 118.849 120.435 -1.586 1
1 507 . 1 1 1 A 47 47 VAL H H 47 7.429 8.146 -0.717 1
1 508 . 1 1 1 A 47 47 VAL HA H 47 3.633 3.673 -0.040 1
1 516 . 1 1 1 A 47 47 VAL C C 47 177.698 178.303 -0.605 1
1 517 . 1 1 1 A 47 47 VAL CA C 47 67.413 66.870 0.543 1
1 518 . 1 1 1 A 47 47 VAL CB C 47 32.258 31.797 0.461 1
1 521 . 1 1 1 A 47 47 VAL N N 47 120.616 120.931 -0.315 1
1 522 . 1 1 1 A 48 48 LYS H H 48 9.110 7.813 1.297 1
1 523 . 1 1 1 A 48 48 LYS HA H 48 4.005 4.042 -0.037 1
1 531 . 1 1 1 A 48 48 LYS C C 48 178.717 179.162 -0.445 1
1 532 . 1 1 1 A 48 48 LYS CA C 48 60.749 60.575 0.174 1
1 533 . 1 1 1 A 48 48 LYS CB C 48 33.140 32.429 0.711 1
1 537 . 1 1 1 A 48 48 LYS N N 48 119.748 119.229 0.519 1
1 538 . 1 1 1 A 49 49 LYS H H 49 7.901 7.835 0.066 1
1 539 . 1 1 1 A 49 49 LYS HA H 49 4.116 4.011 0.105 1
1 547 . 1 1 1 A 49 49 LYS C C 49 178.863 178.644 0.219 1
1 548 . 1 1 1 A 49 49 LYS CA C 49 59.087 59.334 -0.247 1
1 549 . 1 1 1 A 49 49 LYS CB C 49 32.085 32.196 -0.111 1
1 553 . 1 1 1 A 49 49 LYS N N 49 117.787 119.413 -1.626 1
1 554 . 1 1 1 A 50 50 TRP H H 50 8.060 7.762 0.298 1
1 555 . 1 1 1 A 50 50 TRP HA H 50 4.089 4.191 -0.102 1
1 564 . 1 1 1 A 50 50 TRP C C 50 178.547 178.297 0.250 1
1 565 . 1 1 1 A 50 50 TRP CA C 50 62.575 60.568 2.007 1
1 566 . 1 1 1 A 50 50 TRP CB C 50 28.755 29.529 -0.774 1
1 572 . 1 1 1 A 50 50 TRP N N 50 121.102 121.184 -0.082 1
1 574 . 1 1 1 A 51 51 PHE H H 51 8.695 8.112 0.583 1
1 575 . 1 1 1 A 51 51 PHE HA H 51 3.750 4.053 -0.303 1
1 583 . 1 1 1 A 51 51 PHE C C 51 178.620 178.319 0.301 1
1 584 . 1 1 1 A 51 51 PHE CA C 51 63.542 61.759 1.783 1
1 585 . 1 1 1 A 51 51 PHE CB C 51 39.112 39.008 0.104 1
1 591 . 1 1 1 A 51 51 PHE N N 51 118.773 118.088 0.685 1
1 592 . 1 1 1 A 52 52 GLU H H 52 8.399 8.641 -0.242 1
1 593 . 1 1 1 A 52 52 GLU HA H 52 4.077 3.906 0.171 1
1 598 . 1 1 1 A 52 52 GLU C C 52 179.834 179.537 0.297 1
1 599 . 1 1 1 A 52 52 GLU CA C 52 59.657 60.169 -0.512 1
1 600 . 1 1 1 A 52 52 GLU CB C 52 29.561 29.136 0.425 1
1 602 . 1 1 1 A 52 52 GLU N N 52 118.518 118.187 0.331 1
1 603 . 1 1 1 A 53 53 LYS H H 53 7.957 8.173 -0.216 1
1 604 . 1 1 1 A 53 53 LYS HA H 53 3.981 3.971 0.010 1
1 612 . 1 1 1 A 53 53 LYS C C 53 179.349 178.776 0.573 1
1 613 . 1 1 1 A 53 53 LYS CA C 53 59.087 59.039 0.048 1
1 614 . 1 1 1 A 53 53 LYS CB C 53 32.091 32.244 -0.153 1
1 618 . 1 1 1 A 53 53 LYS N N 53 120.286 120.203 0.083 1
1 619 . 1 1 1 A 54 54 MET H H 54 7.762 8.040 -0.278 1
1 620 . 1 1 1 A 54 54 MET HA H 54 3.853 3.793 0.060 1
1 626 . 1 1 1 A 54 54 MET C C 54 179.349 177.811 1.538 1
1 627 . 1 1 1 A 54 54 MET CA C 54 57.071 57.872 -0.801 1
1 628 . 1 1 1 A 54 54 MET CB C 54 31.158 31.295 -0.137 1
1 631 . 1 1 1 A 54 54 MET N N 54 119.874 118.593 1.281 1
1 632 . 1 1 1 A 55 55 GLN H H 55 8.284 8.284 0.000 1
1 633 . 1 1 1 A 55 55 GLN HA H 55 4.172 4.182 -0.010 1
1 640 . 1 1 1 A 55 55 GLN C C 55 178.013 177.891 0.122 1
1 641 . 1 1 1 A 55 55 GLN CA C 55 57.906 58.842 -0.936 1
1 642 . 1 1 1 A 55 55 GLN CB C 55 28.308 28.105 0.203 1
1 644 . 1 1 1 A 55 55 GLN N N 55 119.171 117.913 1.258 1
1 646 . 1 1 1 A 56 56 ALA H H 56 7.665 7.398 0.267 1
1 647 . 1 1 1 A 56 56 ALA HA H 56 4.289 4.292 -0.003 1
1 651 . 1 1 1 A 56 56 ALA C C 56 178.572 177.766 0.806 1
1 652 . 1 1 1 A 56 56 ALA CA C 56 53.041 52.327 0.714 1
1 653 . 1 1 1 A 56 56 ALA CB C 56 18.784 19.588 -0.804 1
1 654 . 1 1 1 A 56 56 ALA N N 56 120.252 119.256 0.996 1
1 655 . 1 1 1 A 57 57 GLY H H 57 7.802 7.764 0.038 1
1 656 . 1 1 1 A 57 57 GLY HA2 H 57 3.945 3.911 0.034 1
1 657 . 1 1 1 A 57 57 GLY HA3 H 57 3.945 3.932 0.013 1
1 658 . 1 1 1 A 57 57 GLY C C 57 174.809 174.770 0.039 1
1 659 . 1 1 1 A 57 57 GLY CA C 57 45.748 45.585 0.163 1
1 660 . 1 1 1 A 57 57 GLY N N 57 106.361 105.950 0.411 1
1 661 . 1 1 1 A 58 58 GLN H H 58 7.961 8.278 -0.317 1
1 662 . 1 1 1 A 58 58 GLN HA H 58 4.280 4.367 -0.087 1
1 669 . 1 1 1 A 58 58 GLN C C 58 175.877 177.645 -1.768 1
1 670 . 1 1 1 A 58 58 GLN CA C 58 55.890 56.990 -1.100 1
1 671 . 1 1 1 A 58 58 GLN CB C 58 29.211 29.700 -0.489 1
1 673 . 1 1 1 A 58 58 GLN N N 58 118.690 117.650 1.040 1
1 675 . 1 1 1 A 59 59 ILE H H 59 7.828 7.398 0.430 1
1 676 . 1 1 1 A 59 59 ILE HA H 59 4.178 3.703 0.475 1
1 686 . 1 1 1 A 59 59 ILE C C 59 175.950 176.590 -0.640 1
1 687 . 1 1 1 A 59 59 ILE CA C 59 60.796 64.379 -3.583 1
1 688 . 1 1 1 A 59 59 ILE CB C 59 38.884 37.685 1.199 1
1 692 . 1 1 1 A 59 59 ILE N N 59 119.986 119.577 0.409 1
1 693 . 1 1 1 A 60 60 SER H H 60 8.358 7.705 0.653 1
1 694 . 1 1 1 A 60 60 SER HA H 60 4.485 4.682 -0.197 1
1 697 . 1 1 1 A 60 60 SER C C 60 174.542 174.264 0.278 1
1 698 . 1 1 1 A 60 60 SER CA C 60 58.000 57.262 0.738 1
1 699 . 1 1 1 A 60 60 SER CB C 60 63.869 65.088 -1.219 1
1 700 . 1 1 1 A 60 60 SER N N 60 119.848 113.113 6.735 1
1 701 . 1 1 1 A 61 61 VAL H H 61 8.223 8.842 -0.619 1
1 702 . 1 1 1 A 61 61 VAL HA H 61 4.132 3.850 0.282 1
1 710 . 1 1 1 A 61 61 VAL C C 61 176.023 175.541 0.482 1
1 711 . 1 1 1 A 61 61 VAL CA C 61 62.254 64.699 -2.445 1
1 712 . 1 1 1 A 61 61 VAL CB C 61 32.702 31.986 0.716 1
1 715 . 1 1 1 A 61 61 VAL N N 61 121.796 126.199 -4.403 1
1 716 . 1 1 1 A 62 62 GLN H H 62 8.405 7.534 0.871 1
1 717 . 1 1 1 A 62 62 GLN HA H 62 4.389 4.450 -0.061 1
1 724 . 1 1 1 A 62 62 GLN C C 62 175.901 174.407 1.494 1
1 725 . 1 1 1 A 62 62 GLN CA C 62 55.792 54.648 1.144 1
1 726 . 1 1 1 A 62 62 GLN CB C 62 29.530 28.081 1.449 1
1 728 . 1 1 1 A 62 62 GLN N N 62 123.728 119.924 3.804 1
1 730 . 1 1 1 A 63 63 SER H H 63 8.396 8.968 -0.572 1
1 731 . 1 1 1 A 63 63 SER HA H 63 4.482 5.350 -0.868 1
1 734 . 1 1 1 A 63 63 SER C C 63 173.668 173.253 0.415 1
1 735 . 1 1 1 A 63 63 SER CA C 63 58.445 57.644 0.801 1
1 736 . 1 1 1 A 63 63 SER CB C 63 63.964 65.715 -1.751 1
1 737 . 1 1 1 A 63 63 SER N N 63 118.100 123.588 -5.488 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.502 4.804 -0.302 1
1 4 . 2 1 1 A 6 6 SER C C 6 175.076 174.914 0.162 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.733 57.781 0.952 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.809 64.354 -0.545 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.416 8.977 -0.561 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.966 4.015 -0.049 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.966 4.016 -0.050 1
1 10 . 2 1 1 A 7 7 GLY C C 7 173.813 174.207 -0.394 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.226 45.645 -0.419 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.646 115.305 -4.659 1
1 13 . 2 1 1 A 8 8 GLN H H 8 8.187 7.981 0.206 1
1 14 . 2 1 1 A 8 8 GLN HA H 8 4.656 4.353 0.303 1
1 21 . 2 1 1 A 8 8 GLN C C 8 173.741 174.632 -0.891 1
1 22 . 2 1 1 A 8 8 GLN CA C 8 53.677 55.286 -1.609 1
1 23 . 2 1 1 A 8 8 GLN CB C 8 29.079 28.742 0.337 1
1 25 . 2 1 1 A 8 8 GLN N N 8 120.767 120.837 -0.070 1
1 27 . 2 1 1 A 9 9 PRO HA H 9 4.723 4.629 0.094 1
1 34 . 2 1 1 A 9 9 PRO CB C 9 27.766 31.619 -3.853 1
1 37 . 2 1 1 A 10 10 PRO HA H 10 4.444 4.605 -0.161 1
1 43 . 2 1 1 A 10 10 PRO C C 10 177.309 176.492 0.817 1
1 44 . 2 1 1 A 10 10 PRO CA C 10 63.083 62.155 0.928 1
1 45 . 2 1 1 A 10 10 PRO CB C 10 31.881 32.921 -1.040 1
1 48 . 2 1 1 A 11 11 LEU H H 11 8.323 8.452 -0.129 1
1 49 . 2 1 1 A 11 11 LEU HA H 11 4.105 4.202 -0.097 1
1 59 . 2 1 1 A 11 11 LEU C C 11 178.232 177.841 0.391 1
1 60 . 2 1 1 A 11 11 LEU CA C 11 56.572 55.425 1.147 1
1 61 . 2 1 1 A 11 11 LEU CB C 11 42.000 43.941 -1.941 1
1 64 . 2 1 1 A 11 11 LEU N N 11 122.449 123.086 -0.637 1
1 65 . 2 1 1 A 12 12 LYS H H 12 8.319 8.701 -0.382 1
1 66 . 2 1 1 A 12 12 LYS HA H 12 3.986 4.026 -0.040 1
1 73 . 2 1 1 A 12 12 LYS C C 12 177.722 178.287 -0.565 1
1 74 . 2 1 1 A 12 12 LYS CA C 12 58.842 59.060 -0.218 1
1 75 . 2 1 1 A 12 12 LYS CB C 12 32.388 31.998 0.390 1
1 79 . 2 1 1 A 12 12 LYS N N 12 118.575 123.797 -5.222 1
1 80 . 2 1 1 A 13 13 ASN H H 13 8.076 8.161 -0.085 1
1 81 . 2 1 1 A 13 13 ASN HA H 13 4.597 4.379 0.218 1
1 86 . 2 1 1 A 13 13 ASN C C 13 176.702 178.114 -1.412 1
1 87 . 2 1 1 A 13 13 ASN CA C 13 54.525 55.863 -1.338 1
1 88 . 2 1 1 A 13 13 ASN CB C 13 38.035 38.347 -0.312 1
1 89 . 2 1 1 A 13 13 ASN N N 13 117.381 118.513 -1.132 1
1 91 . 2 1 1 A 14 14 LEU H H 14 7.948 7.715 0.233 1
1 92 . 2 1 1 A 14 14 LEU HA H 14 4.099 4.064 0.035 1
1 102 . 2 1 1 A 14 14 LEU C C 14 177.868 178.169 -0.301 1
1 103 . 2 1 1 A 14 14 LEU CA C 14 56.861 57.772 -0.911 1
1 104 . 2 1 1 A 14 14 LEU CB C 14 42.012 41.800 0.212 1
1 108 . 2 1 1 A 14 14 LEU N N 14 121.775 120.899 0.876 1
1 109 . 2 1 1 A 15 15 LEU H H 15 7.996 7.763 0.233 1
1 110 . 2 1 1 A 15 15 LEU HA H 15 3.705 3.879 -0.174 1
1 120 . 2 1 1 A 15 15 LEU C C 15 178.887 178.626 0.261 1
1 121 . 2 1 1 A 15 15 LEU CA C 15 58.201 57.111 1.090 1
1 122 . 2 1 1 A 15 15 LEU CB C 15 41.067 42.211 -1.144 1
1 126 . 2 1 1 A 15 15 LEU N N 15 119.072 118.508 0.564 1
1 127 . 2 1 1 A 16 16 SER H H 16 7.968 8.529 -0.561 1
1 128 . 2 1 1 A 16 16 SER HA H 16 4.064 4.068 -0.004 1
1 131 . 2 1 1 A 16 16 SER C C 16 176.897 177.038 -0.141 1
1 132 . 2 1 1 A 16 16 SER CA C 16 61.915 61.639 0.276 1
1 133 . 2 1 1 A 16 16 SER CB C 16 62.496 62.969 -0.473 1
1 134 . 2 1 1 A 16 16 SER N N 16 113.400 114.737 -1.337 1
1 135 . 2 1 1 A 17 17 LEU H H 17 7.487 8.079 -0.592 1
1 136 . 2 1 1 A 17 17 LEU HA H 17 3.980 3.840 0.140 1
1 140 . 2 1 1 A 17 17 LEU C C 17 178.547 178.782 -0.235 1
1 141 . 2 1 1 A 17 17 LEU CA C 17 58.205 58.154 0.051 1
1 142 . 2 1 1 A 17 17 LEU CB C 17 41.973 42.138 -0.165 1
1 143 . 2 1 1 A 17 17 LEU N N 17 122.840 121.987 0.853 1
1 144 . 2 1 1 A 18 18 LEU H H 18 7.950 8.076 -0.126 1
1 145 . 2 1 1 A 18 18 LEU HA H 18 3.982 3.854 0.128 1
1 154 . 2 1 1 A 18 18 LEU C C 18 178.645 178.919 -0.274 1
1 155 . 2 1 1 A 18 18 LEU CA C 18 58.203 57.701 0.502 1
1 156 . 2 1 1 A 18 18 LEU CB C 18 38.932 40.745 -1.813 1
1 160 . 2 1 1 A 18 18 LEU N N 18 118.407 117.332 1.075 1
1 161 . 2 1 1 A 19 19 LYS H H 19 8.352 8.157 0.195 1
1 162 . 2 1 1 A 19 19 LYS HA H 19 4.051 3.973 0.078 1
1 169 . 2 1 1 A 19 19 LYS C C 19 178.960 179.412 -0.452 1
1 170 . 2 1 1 A 19 19 LYS CA C 19 60.537 59.114 1.423 1
1 171 . 2 1 1 A 19 19 LYS CB C 19 32.332 32.206 0.126 1
1 175 . 2 1 1 A 19 19 LYS N N 19 118.242 117.522 0.720 1
1 176 . 2 1 1 A 20 20 ALA H H 20 7.717 7.872 -0.155 1
1 177 . 2 1 1 A 20 20 ALA HA H 20 4.202 4.127 0.075 1
1 181 . 2 1 1 A 20 20 ALA C C 20 180.732 179.575 1.157 1
1 182 . 2 1 1 A 20 20 ALA CA C 20 54.879 55.085 -0.206 1
1 183 . 2 1 1 A 20 20 ALA CB C 20 17.608 18.735 -1.127 1
1 184 . 2 1 1 A 20 20 ALA N N 20 122.505 121.967 0.538 1
1 185 . 2 1 1 A 21 21 TYR HA H 21 4.236 4.349 -0.113 1
1 192 . 2 1 1 A 21 21 TYR C C 21 178.839 178.160 0.679 1
1 193 . 2 1 1 A 21 21 TYR CA C 21 63.047 61.058 1.989 1
1 194 . 2 1 1 A 21 21 TYR CB C 21 38.388 38.256 0.132 1
1 199 . 2 1 1 A 22 22 TYR H H 22 8.857 7.999 0.858 1
1 200 . 2 1 1 A 22 22 TYR HA H 22 4.305 4.734 -0.429 1
1 207 . 2 1 1 A 22 22 TYR C C 22 176.338 177.262 -0.924 1
1 208 . 2 1 1 A 22 22 TYR CA C 22 61.389 62.010 -0.621 1
1 209 . 2 1 1 A 22 22 TYR CB C 22 38.790 38.984 -0.194 1
1 214 . 2 1 1 A 22 22 TYR N N 22 122.639 120.288 2.351 1
1 215 . 2 1 1 A 23 23 ALA H H 23 7.762 7.998 -0.236 1
1 216 . 2 1 1 A 23 23 ALA HA H 23 4.047 4.216 -0.169 1
1 220 . 2 1 1 A 23 23 ALA C C 23 179.179 179.884 -0.705 1
1 221 . 2 1 1 A 23 23 ALA CA C 23 53.906 55.317 -1.411 1
1 222 . 2 1 1 A 23 23 ALA CB C 23 18.328 18.558 -0.230 1
1 223 . 2 1 1 A 23 23 ALA N N 23 117.361 121.824 -4.463 1
1 224 . 2 1 1 A 24 24 LEU H H 24 7.267 7.810 -0.543 1
1 225 . 2 1 1 A 24 24 LEU HA H 24 4.210 4.081 0.129 1
1 235 . 2 1 1 A 24 24 LEU C C 24 177.673 176.697 0.976 1
1 236 . 2 1 1 A 24 24 LEU CA C 24 56.382 57.648 -1.266 1
1 237 . 2 1 1 A 24 24 LEU CB C 24 42.933 41.443 1.490 1
1 241 . 2 1 1 A 24 24 LEU N N 24 117.259 115.693 1.566 1
1 242 . 2 1 1 A 25 25 ASN H H 25 7.862 8.406 -0.544 1
1 243 . 2 1 1 A 25 25 ASN HA H 25 4.466 4.950 -0.484 1
1 248 . 2 1 1 A 25 25 ASN C C 25 173.036 175.091 -2.055 1
1 249 . 2 1 1 A 25 25 ASN CA C 25 53.077 51.490 1.587 1
1 250 . 2 1 1 A 25 25 ASN CB C 25 37.853 38.767 -0.914 1
1 251 . 2 1 1 A 25 25 ASN N N 25 116.521 117.988 -1.467 1
1 253 . 2 1 1 A 26 26 ALA H H 26 8.283 8.458 -0.175 1
1 254 . 2 1 1 A 26 26 ALA HA H 26 3.905 2.835 1.070 1
1 258 . 2 1 1 A 26 26 ALA C C 26 177.212 177.719 -0.507 1
1 259 . 2 1 1 A 26 26 ALA CA C 26 53.323 54.882 -1.559 1
1 260 . 2 1 1 A 26 26 ALA CB C 26 19.548 18.401 1.147 1
1 261 . 2 1 1 A 26 26 ALA N N 26 126.202 127.790 -1.588 1
1 262 . 2 1 1 A 27 27 GLN H H 27 7.729 7.718 0.011 1
1 263 . 2 1 1 A 27 27 GLN HA H 27 4.619 4.315 0.304 1
1 270 . 2 1 1 A 27 27 GLN C C 27 172.090 174.322 -2.232 1
1 271 . 2 1 1 A 27 27 GLN CA C 27 52.706 53.121 -0.415 1
1 272 . 2 1 1 A 27 27 GLN CB C 27 29.636 28.437 1.199 1
1 274 . 2 1 1 A 27 27 GLN N N 27 113.721 113.335 0.386 1
1 276 . 2 1 1 A 28 28 PRO HA H 28 4.485 4.509 -0.024 1
1 283 . 2 1 1 A 28 28 PRO C C 28 177.018 175.731 1.287 1
1 284 . 2 1 1 A 28 28 PRO CA C 28 62.562 62.289 0.273 1
1 285 . 2 1 1 A 28 28 PRO CB C 28 31.813 32.274 -0.461 1
1 288 . 2 1 1 A 29 29 SER H H 29 9.097 8.239 0.858 1
1 289 . 2 1 1 A 29 29 SER HA H 29 4.398 4.719 -0.321 1
1 292 . 2 1 1 A 29 29 SER C C 29 174.372 175.609 -1.237 1
1 293 . 2 1 1 A 29 29 SER CA C 29 56.986 57.754 -0.768 1
1 294 . 2 1 1 A 29 29 SER CB C 29 65.661 64.767 0.894 1
1 295 . 2 1 1 A 29 29 SER N N 29 118.156 116.954 1.202 1
1 296 . 2 1 1 A 30 30 ALA H H 30 8.916 9.036 -0.120 1
1 297 . 2 1 1 A 30 30 ALA HA H 30 3.965 3.998 -0.033 1
1 301 . 2 1 1 A 30 30 ALA C C 30 180.732 179.675 1.057 1
1 302 . 2 1 1 A 30 30 ALA CA C 30 56.044 55.762 0.282 1
1 303 . 2 1 1 A 30 30 ALA CB C 30 17.925 18.511 -0.586 1
1 304 . 2 1 1 A 30 30 ALA N N 30 123.162 125.814 -2.652 1
1 305 . 2 1 1 A 31 31 GLU H H 31 8.591 8.251 0.340 1
1 306 . 2 1 1 A 31 31 GLU HA H 31 4.011 3.991 0.020 1
1 310 . 2 1 1 A 31 31 GLU C C 31 179.519 179.231 0.288 1
1 311 . 2 1 1 A 31 31 GLU CA C 31 59.788 59.450 0.338 1
1 312 . 2 1 1 A 31 31 GLU CB C 31 29.349 29.417 -0.068 1
1 314 . 2 1 1 A 31 31 GLU N N 31 118.280 117.547 0.733 1
1 315 . 2 1 1 A 32 32 GLU H H 32 7.702 8.180 -0.478 1
1 316 . 2 1 1 A 32 32 GLU HA H 32 3.844 4.150 -0.306 1
1 320 . 2 1 1 A 32 32 GLU C C 32 179.446 178.922 0.524 1
1 321 . 2 1 1 A 32 32 GLU CA C 32 59.408 58.918 0.490 1
1 322 . 2 1 1 A 32 32 GLU CB C 32 29.829 29.988 -0.159 1
1 324 . 2 1 1 A 32 32 GLU N N 32 121.025 120.395 0.630 1
1 325 . 2 1 1 A 33 33 LEU H H 33 8.679 8.457 0.222 1
1 326 . 2 1 1 A 33 33 LEU HA H 33 3.645 3.921 -0.276 1
1 336 . 2 1 1 A 33 33 LEU C C 33 178.378 178.952 -0.574 1
1 337 . 2 1 1 A 33 33 LEU CA C 33 58.218 57.985 0.233 1
1 338 . 2 1 1 A 33 33 LEU CB C 33 42.339 41.710 0.629 1
1 342 . 2 1 1 A 33 33 LEU N N 33 119.993 121.219 -1.226 1
1 343 . 2 1 1 A 34 34 SER H H 34 7.727 8.151 -0.424 1
1 344 . 2 1 1 A 34 34 SER HA H 34 4.116 4.042 0.074 1
1 347 . 2 1 1 A 34 34 SER C C 34 176.484 177.199 -0.715 1
1 348 . 2 1 1 A 34 34 SER CA C 34 62.063 61.657 0.406 1
1 349 . 2 1 1 A 34 34 SER CB C 34 62.725 62.968 -0.243 1
1 350 . 2 1 1 A 34 34 SER N N 34 113.341 113.083 0.258 1
1 351 . 2 1 1 A 35 35 LYS H H 35 7.525 7.634 -0.109 1
1 352 . 2 1 1 A 35 35 LYS HA H 35 4.122 3.958 0.164 1
1 361 . 2 1 1 A 35 35 LYS C C 35 180.368 178.561 1.807 1
1 362 . 2 1 1 A 35 35 LYS CA C 35 59.502 59.883 -0.381 1
1 363 . 2 1 1 A 35 35 LYS CB C 35 32.414 32.262 0.152 1
1 367 . 2 1 1 A 35 35 LYS N N 35 120.812 121.301 -0.489 1
1 368 . 2 1 1 A 36 36 ILE H H 36 8.219 8.332 -0.113 1
1 369 . 2 1 1 A 36 36 ILE HA H 36 3.280 3.519 -0.239 1
1 379 . 2 1 1 A 36 36 ILE C C 36 178.159 178.094 0.065 1
1 380 . 2 1 1 A 36 36 ILE CA C 36 65.794 64.904 0.890 1
1 381 . 2 1 1 A 36 36 ILE CB C 36 38.008 37.073 0.935 1
1 385 . 2 1 1 A 36 36 ILE N N 36 122.240 119.565 2.675 1
1 386 . 2 1 1 A 37 37 ALA H H 37 8.438 8.067 0.371 1
1 387 . 2 1 1 A 37 37 ALA HA H 37 3.862 3.946 -0.084 1
1 391 . 2 1 1 A 37 37 ALA C C 37 179.276 178.897 0.379 1
1 392 . 2 1 1 A 37 37 ALA CA C 37 56.223 55.559 0.664 1
1 393 . 2 1 1 A 37 37 ALA CB C 37 17.186 18.437 -1.251 1
1 394 . 2 1 1 A 37 37 ALA N N 37 122.058 122.609 -0.551 1
1 395 . 2 1 1 A 38 38 ASP H H 38 8.072 7.989 0.083 1
1 396 . 2 1 1 A 38 38 ASP HA H 38 4.495 4.440 0.055 1
1 399 . 2 1 1 A 38 38 ASP C C 38 178.984 177.530 1.454 1
1 400 . 2 1 1 A 38 38 ASP CA C 38 56.857 56.642 0.215 1
1 401 . 2 1 1 A 38 38 ASP CB C 38 40.813 41.272 -0.459 1
1 402 . 2 1 1 A 38 38 ASP N N 38 115.894 118.696 -2.802 1
1 403 . 2 1 1 A 39 39 SER H H 39 7.954 7.513 0.441 1
1 404 . 2 1 1 A 39 39 SER HA H 39 4.247 4.342 -0.095 1
1 406 . 2 1 1 A 39 39 SER C C 39 175.610 176.010 -0.400 1
1 407 . 2 1 1 A 39 39 SER CA C 39 61.580 61.932 -0.352 1
1 408 . 2 1 1 A 39 39 SER CB C 39 63.373 63.569 -0.196 1
1 409 . 2 1 1 A 39 39 SER N N 39 114.432 115.729 -1.297 1
1 410 . 2 1 1 A 40 40 VAL H H 40 7.850 7.254 0.596 1
1 411 . 2 1 1 A 40 40 VAL HA H 40 4.456 4.273 0.183 1
1 419 . 2 1 1 A 40 40 VAL C C 40 174.445 175.787 -1.342 1
1 420 . 2 1 1 A 40 40 VAL CA C 40 60.913 61.186 -0.273 1
1 421 . 2 1 1 A 40 40 VAL CB C 40 31.778 31.399 0.379 1
1 424 . 2 1 1 A 40 40 VAL N N 40 111.349 115.144 -3.795 1
1 425 . 2 1 1 A 41 41 ASN H H 41 7.804 7.786 0.018 1
1 426 . 2 1 1 A 41 41 ASN HA H 41 4.348 4.309 0.039 1
1 431 . 2 1 1 A 41 41 ASN C C 41 174.008 173.680 0.328 1
1 432 . 2 1 1 A 41 41 ASN CA C 41 54.066 54.128 -0.062 1
1 433 . 2 1 1 A 41 41 ASN CB C 41 37.225 37.595 -0.370 1
1 434 . 2 1 1 A 41 41 ASN N N 41 117.410 119.428 -2.018 1
1 436 . 2 1 1 A 42 42 LEU H H 42 7.904 7.617 0.287 1
1 437 . 2 1 1 A 42 42 LEU HA H 42 5.001 4.780 0.221 1
1 447 . 2 1 1 A 42 42 LEU C C 42 173.886 174.252 -0.366 1
1 448 . 2 1 1 A 42 42 LEU CA C 42 51.484 51.490 -0.006 1
1 449 . 2 1 1 A 42 42 LEU CB C 42 45.928 44.275 1.653 1
1 453 . 2 1 1 A 42 42 LEU N N 42 117.347 118.973 -1.626 1
1 454 . 2 1 1 A 43 43 PRO HA H 43 4.423 4.567 -0.144 1
1 461 . 2 1 1 A 43 43 PRO C C 43 178.013 176.685 1.328 1
1 462 . 2 1 1 A 43 43 PRO CA C 43 62.234 62.286 -0.052 1
1 463 . 2 1 1 A 43 43 PRO CB C 43 32.616 33.611 -0.995 1
1 466 . 2 1 1 A 44 44 LEU H H 44 8.758 8.873 -0.115 1
1 467 . 2 1 1 A 44 44 LEU HA H 44 3.780 4.190 -0.410 1
1 477 . 2 1 1 A 44 44 LEU C C 44 178.208 178.219 -0.011 1
1 478 . 2 1 1 A 44 44 LEU CA C 44 58.592 56.953 1.639 1
1 479 . 2 1 1 A 44 44 LEU CB C 44 41.747 41.856 -0.109 1
1 483 . 2 1 1 A 44 44 LEU N N 44 125.847 122.431 3.416 1
1 484 . 2 1 1 A 45 45 ASP H H 45 8.822 8.442 0.380 1
1 485 . 2 1 1 A 45 45 ASP HA H 45 4.270 4.384 -0.114 1
1 488 . 2 1 1 A 45 45 ASP C C 45 178.523 178.697 -0.174 1
1 489 . 2 1 1 A 45 45 ASP CA C 45 57.621 57.060 0.561 1
1 490 . 2 1 1 A 45 45 ASP CB C 45 40.612 39.843 0.769 1
1 491 . 2 1 1 A 45 45 ASP N N 45 114.687 117.959 -3.272 1
1 492 . 2 1 1 A 46 46 VAL H H 46 7.098 8.101 -1.003 1
1 493 . 2 1 1 A 46 46 VAL HA H 46 3.707 3.662 0.045 1
1 501 . 2 1 1 A 46 46 VAL C C 46 178.353 178.515 -0.162 1
1 502 . 2 1 1 A 46 46 VAL CA C 46 65.770 66.569 -0.799 1
1 503 . 2 1 1 A 46 46 VAL CB C 46 32.179 31.560 0.619 1
1 506 . 2 1 1 A 46 46 VAL N N 46 118.849 120.644 -1.795 1
1 507 . 2 1 1 A 47 47 VAL H H 47 7.429 7.667 -0.238 1
1 508 . 2 1 1 A 47 47 VAL HA H 47 3.633 3.633 0.000 1
1 516 . 2 1 1 A 47 47 VAL C C 47 177.698 178.556 -0.858 1
1 517 . 2 1 1 A 47 47 VAL CA C 47 67.413 66.885 0.528 1
1 518 . 2 1 1 A 47 47 VAL CB C 47 32.258 31.671 0.587 1
1 521 . 2 1 1 A 47 47 VAL N N 47 120.616 120.755 -0.139 1
1 522 . 2 1 1 A 48 48 LYS H H 48 9.110 7.825 1.285 1
1 523 . 2 1 1 A 48 48 LYS HA H 48 4.005 4.179 -0.174 1
1 531 . 2 1 1 A 48 48 LYS C C 48 178.717 179.708 -0.991 1
1 532 . 2 1 1 A 48 48 LYS CA C 48 60.749 60.337 0.412 1
1 533 . 2 1 1 A 48 48 LYS CB C 48 33.140 32.461 0.679 1
1 537 . 2 1 1 A 48 48 LYS N N 48 119.748 119.402 0.346 1
1 538 . 2 1 1 A 49 49 LYS H H 49 7.901 7.962 -0.061 1
1 539 . 2 1 1 A 49 49 LYS HA H 49 4.116 4.063 0.053 1
1 547 . 2 1 1 A 49 49 LYS C C 49 178.863 178.806 0.057 1
1 548 . 2 1 1 A 49 49 LYS CA C 49 59.087 59.452 -0.365 1
1 549 . 2 1 1 A 49 49 LYS CB C 49 32.085 32.206 -0.121 1
1 553 . 2 1 1 A 49 49 LYS N N 49 117.787 119.318 -1.531 1
1 554 . 2 1 1 A 50 50 TRP H H 50 8.060 7.890 0.170 1
1 555 . 2 1 1 A 50 50 TRP HA H 50 4.089 4.249 -0.160 1
1 564 . 2 1 1 A 50 50 TRP C C 50 178.547 178.020 0.527 1
1 565 . 2 1 1 A 50 50 TRP CA C 50 62.575 60.848 1.727 1
1 566 . 2 1 1 A 50 50 TRP CB C 50 28.755 29.868 -1.113 1
1 572 . 2 1 1 A 50 50 TRP N N 50 121.102 121.542 -0.440 1
1 574 . 2 1 1 A 51 51 PHE H H 51 8.695 8.282 0.413 1
1 575 . 2 1 1 A 51 51 PHE HA H 51 3.750 4.526 -0.776 1
1 583 . 2 1 1 A 51 51 PHE C C 51 178.620 178.392 0.228 1
1 584 . 2 1 1 A 51 51 PHE CA C 51 63.542 62.087 1.455 1
1 585 . 2 1 1 A 51 51 PHE CB C 51 39.112 38.885 0.227 1
1 591 . 2 1 1 A 51 51 PHE N N 51 118.773 118.111 0.662 1
1 592 . 2 1 1 A 52 52 GLU H H 52 8.399 8.177 0.222 1
1 593 . 2 1 1 A 52 52 GLU HA H 52 4.077 3.895 0.182 1
1 598 . 2 1 1 A 52 52 GLU C C 52 179.834 178.818 1.016 1
1 599 . 2 1 1 A 52 52 GLU CA C 52 59.657 59.985 -0.328 1
1 600 . 2 1 1 A 52 52 GLU CB C 52 29.561 29.405 0.156 1
1 602 . 2 1 1 A 52 52 GLU N N 52 118.518 118.549 -0.031 1
1 603 . 2 1 1 A 53 53 LYS H H 53 7.957 8.173 -0.216 1
1 604 . 2 1 1 A 53 53 LYS HA H 53 3.981 3.976 0.005 1
1 612 . 2 1 1 A 53 53 LYS C C 53 179.349 178.316 1.033 1
1 613 . 2 1 1 A 53 53 LYS CA C 53 59.087 59.117 -0.030 1
1 614 . 2 1 1 A 53 53 LYS CB C 53 32.091 32.248 -0.157 1
1 618 . 2 1 1 A 53 53 LYS N N 53 120.286 119.507 0.779 1
1 619 . 2 1 1 A 54 54 MET H H 54 7.762 8.000 -0.238 1
1 620 . 2 1 1 A 54 54 MET HA H 54 3.853 3.660 0.193 1
1 626 . 2 1 1 A 54 54 MET C C 54 179.349 177.879 1.470 1
1 627 . 2 1 1 A 54 54 MET CA C 54 57.071 58.295 -1.224 1
1 628 . 2 1 1 A 54 54 MET CB C 54 31.158 31.073 0.085 1
1 631 . 2 1 1 A 54 54 MET N N 54 119.874 118.266 1.608 1
1 632 . 2 1 1 A 55 55 GLN H H 55 8.284 8.100 0.184 1
1 633 . 2 1 1 A 55 55 GLN HA H 55 4.172 4.168 0.004 1
1 640 . 2 1 1 A 55 55 GLN C C 55 178.013 177.970 0.043 1
1 641 . 2 1 1 A 55 55 GLN CA C 55 57.906 58.819 -0.913 1
1 642 . 2 1 1 A 55 55 GLN CB C 55 28.308 28.342 -0.034 1
1 644 . 2 1 1 A 55 55 GLN N N 55 119.171 118.242 0.929 1
1 646 . 2 1 1 A 56 56 ALA H H 56 7.665 7.320 0.345 1
1 647 . 2 1 1 A 56 56 ALA HA H 56 4.289 4.296 -0.007 1
1 651 . 2 1 1 A 56 56 ALA C C 56 178.572 177.704 0.868 1
1 652 . 2 1 1 A 56 56 ALA CA C 56 53.041 52.432 0.609 1
1 653 . 2 1 1 A 56 56 ALA CB C 56 18.784 19.562 -0.778 1
1 654 . 2 1 1 A 56 56 ALA N N 56 120.252 119.246 1.006 1
1 655 . 2 1 1 A 57 57 GLY H H 57 7.802 7.726 0.076 1
1 656 . 2 1 1 A 57 57 GLY HA2 H 57 3.945 3.916 0.029 1
1 657 . 2 1 1 A 57 57 GLY HA3 H 57 3.945 3.945 0.000 1
1 658 . 2 1 1 A 57 57 GLY C C 57 174.809 175.239 -0.430 1
1 659 . 2 1 1 A 57 57 GLY CA C 57 45.748 45.327 0.421 1
1 660 . 2 1 1 A 57 57 GLY N N 57 106.361 105.972 0.389 1
1 661 . 2 1 1 A 58 58 GLN H H 58 7.961 8.105 -0.144 1
1 662 . 2 1 1 A 58 58 GLN HA H 58 4.280 4.176 0.104 1
1 669 . 2 1 1 A 58 58 GLN C C 58 175.877 176.703 -0.826 1
1 670 . 2 1 1 A 58 58 GLN CA C 58 55.890 57.966 -2.076 1
1 671 . 2 1 1 A 58 58 GLN CB C 58 29.211 29.104 0.107 1
1 673 . 2 1 1 A 58 58 GLN N N 58 118.690 117.670 1.020 1
1 675 . 2 1 1 A 59 59 ILE H H 59 7.828 7.534 0.294 1
1 676 . 2 1 1 A 59 59 ILE HA H 59 4.178 4.026 0.152 1
1 686 . 2 1 1 A 59 59 ILE C C 59 175.950 176.117 -0.167 1
1 687 . 2 1 1 A 59 59 ILE CA C 59 60.796 62.075 -1.279 1
1 688 . 2 1 1 A 59 59 ILE CB C 59 38.884 37.572 1.312 1
1 692 . 2 1 1 A 59 59 ILE N N 59 119.986 120.597 -0.611 1
1 693 . 2 1 1 A 60 60 SER H H 60 8.358 8.900 -0.542 1
1 694 . 2 1 1 A 60 60 SER HA H 60 4.485 4.111 0.374 1
1 697 . 2 1 1 A 60 60 SER C C 60 174.542 174.397 0.145 1
1 698 . 2 1 1 A 60 60 SER CA C 60 58.000 58.709 -0.709 1
1 699 . 2 1 1 A 60 60 SER CB C 60 63.869 62.281 1.588 1
1 700 . 2 1 1 A 60 60 SER N N 60 119.848 122.580 -2.732 1
1 701 . 2 1 1 A 61 61 VAL H H 61 8.223 7.746 0.477 1
1 702 . 2 1 1 A 61 61 VAL HA H 61 4.132 3.784 0.348 1
1 710 . 2 1 1 A 61 61 VAL C C 61 176.023 175.927 0.096 1
1 711 . 2 1 1 A 61 61 VAL CA C 61 62.254 64.655 -2.401 1
1 712 . 2 1 1 A 61 61 VAL CB C 61 32.702 31.652 1.050 1
1 715 . 2 1 1 A 61 61 VAL N N 61 121.796 119.935 1.861 1
1 716 . 2 1 1 A 62 62 GLN H H 62 8.405 7.773 0.632 1
1 717 . 2 1 1 A 62 62 GLN HA H 62 4.389 4.489 -0.100 1
1 724 . 2 1 1 A 62 62 GLN C C 62 175.901 175.018 0.883 1
1 725 . 2 1 1 A 62 62 GLN CA C 62 55.792 54.847 0.945 1
1 726 . 2 1 1 A 62 62 GLN CB C 62 29.530 28.231 1.299 1
1 728 . 2 1 1 A 62 62 GLN N N 62 123.728 121.018 2.710 1
1 730 . 2 1 1 A 63 63 SER H H 63 8.396 8.968 -0.572 1
1 731 . 2 1 1 A 63 63 SER HA H 63 4.482 4.752 -0.270 1
1 734 . 2 1 1 A 63 63 SER C C 63 173.668 175.814 -2.146 1
1 735 . 2 1 1 A 63 63 SER CA C 63 58.445 57.145 1.300 1
1 736 . 2 1 1 A 63 63 SER CB C 63 63.964 63.360 0.604 1
1 737 . 2 1 1 A 63 63 SER N N 63 118.100 121.679 -3.579 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.502 4.264 0.238 1
1 4 . 3 1 1 A 6 6 SER C C 6 175.076 174.652 0.424 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.733 59.815 -1.082 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.809 63.967 -0.158 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.416 7.624 0.792 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.966 4.076 -0.110 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.966 4.076 -0.110 1
1 10 . 3 1 1 A 7 7 GLY C C 7 173.813 174.068 -0.255 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.226 45.402 -0.176 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.646 109.248 1.398 1
1 13 . 3 1 1 A 8 8 GLN H H 8 8.187 7.887 0.300 1
1 14 . 3 1 1 A 8 8 GLN HA H 8 4.656 4.390 0.266 1
1 21 . 3 1 1 A 8 8 GLN C C 8 173.741 174.343 -0.602 1
1 22 . 3 1 1 A 8 8 GLN CA C 8 53.677 54.843 -1.166 1
1 23 . 3 1 1 A 8 8 GLN CB C 8 29.079 28.411 0.668 1
1 25 . 3 1 1 A 8 8 GLN N N 8 120.767 122.433 -1.666 1
1 27 . 3 1 1 A 9 9 PRO HA H 9 4.723 4.616 0.107 1
1 34 . 3 1 1 A 9 9 PRO CB C 9 27.766 31.583 -3.817 1
1 37 . 3 1 1 A 10 10 PRO HA H 10 4.444 4.573 -0.129 1
1 43 . 3 1 1 A 10 10 PRO C C 10 177.309 176.992 0.317 1
1 44 . 3 1 1 A 10 10 PRO CA C 10 63.083 62.205 0.878 1
1 45 . 3 1 1 A 10 10 PRO CB C 10 31.881 32.880 -0.999 1
1 48 . 3 1 1 A 11 11 LEU H H 11 8.323 8.123 0.200 1
1 49 . 3 1 1 A 11 11 LEU HA H 11 4.105 4.217 -0.112 1
1 59 . 3 1 1 A 11 11 LEU C C 11 178.232 177.774 0.458 1
1 60 . 3 1 1 A 11 11 LEU CA C 11 56.572 55.267 1.305 1
1 61 . 3 1 1 A 11 11 LEU CB C 11 42.000 42.219 -0.219 1
1 64 . 3 1 1 A 11 11 LEU N N 11 122.449 120.425 2.024 1
1 65 . 3 1 1 A 12 12 LYS H H 12 8.319 8.549 -0.230 1
1 66 . 3 1 1 A 12 12 LYS HA H 12 3.986 4.022 -0.036 1
1 73 . 3 1 1 A 12 12 LYS C C 12 177.722 178.083 -0.361 1
1 74 . 3 1 1 A 12 12 LYS CA C 12 58.842 58.792 0.050 1
1 75 . 3 1 1 A 12 12 LYS CB C 12 32.388 31.858 0.530 1
1 79 . 3 1 1 A 12 12 LYS N N 12 118.575 121.728 -3.153 1
1 80 . 3 1 1 A 13 13 ASN H H 13 8.076 8.501 -0.425 1
1 81 . 3 1 1 A 13 13 ASN HA H 13 4.597 4.461 0.136 1
1 86 . 3 1 1 A 13 13 ASN C C 13 176.702 177.870 -1.168 1
1 87 . 3 1 1 A 13 13 ASN CA C 13 54.525 55.737 -1.212 1
1 88 . 3 1 1 A 13 13 ASN CB C 13 38.035 37.033 1.002 1
1 89 . 3 1 1 A 13 13 ASN N N 13 117.381 118.477 -1.096 1
1 91 . 3 1 1 A 14 14 LEU H H 14 7.948 8.356 -0.408 1
1 92 . 3 1 1 A 14 14 LEU HA H 14 4.099 3.955 0.144 1
1 102 . 3 1 1 A 14 14 LEU C C 14 177.868 178.208 -0.340 1
1 103 . 3 1 1 A 14 14 LEU CA C 14 56.861 58.660 -1.799 1
1 104 . 3 1 1 A 14 14 LEU CB C 14 42.012 41.716 0.296 1
1 108 . 3 1 1 A 14 14 LEU N N 14 121.775 122.545 -0.770 1
1 109 . 3 1 1 A 15 15 LEU H H 15 7.996 7.527 0.469 1
1 110 . 3 1 1 A 15 15 LEU HA H 15 3.705 3.793 -0.088 1
1 120 . 3 1 1 A 15 15 LEU C C 15 178.887 178.542 0.345 1
1 121 . 3 1 1 A 15 15 LEU CA C 15 58.201 57.978 0.223 1
1 122 . 3 1 1 A 15 15 LEU CB C 15 41.067 41.271 -0.204 1
1 126 . 3 1 1 A 15 15 LEU N N 15 119.072 116.922 2.150 1
1 127 . 3 1 1 A 16 16 SER H H 16 7.968 7.683 0.285 1
1 128 . 3 1 1 A 16 16 SER HA H 16 4.064 4.023 0.041 1
1 131 . 3 1 1 A 16 16 SER C C 16 176.897 177.221 -0.324 1
1 132 . 3 1 1 A 16 16 SER CA C 16 61.915 61.622 0.293 1
1 133 . 3 1 1 A 16 16 SER CB C 16 62.496 63.004 -0.508 1
1 134 . 3 1 1 A 16 16 SER N N 16 113.400 115.021 -1.621 1
1 135 . 3 1 1 A 17 17 LEU H H 17 7.487 8.019 -0.532 1
1 136 . 3 1 1 A 17 17 LEU HA H 17 3.980 3.908 0.072 1
1 140 . 3 1 1 A 17 17 LEU C C 17 178.547 178.850 -0.303 1
1 141 . 3 1 1 A 17 17 LEU CA C 17 58.205 58.168 0.037 1
1 142 . 3 1 1 A 17 17 LEU CB C 17 41.973 41.482 0.491 1
1 143 . 3 1 1 A 17 17 LEU N N 17 122.840 121.571 1.269 1
1 144 . 3 1 1 A 18 18 LEU H H 18 7.950 7.921 0.029 1
1 145 . 3 1 1 A 18 18 LEU HA H 18 3.982 3.743 0.239 1
1 154 . 3 1 1 A 18 18 LEU C C 18 178.645 178.554 0.091 1
1 155 . 3 1 1 A 18 18 LEU CA C 18 58.203 58.090 0.113 1
1 156 . 3 1 1 A 18 18 LEU CB C 18 38.932 40.998 -2.066 1
1 160 . 3 1 1 A 18 18 LEU N N 18 118.407 118.720 -0.313 1
1 161 . 3 1 1 A 19 19 LYS H H 19 8.352 8.089 0.263 1
1 162 . 3 1 1 A 19 19 LYS HA H 19 4.051 3.850 0.201 1
1 169 . 3 1 1 A 19 19 LYS C C 19 178.960 178.517 0.443 1
1 170 . 3 1 1 A 19 19 LYS CA C 19 60.537 59.667 0.870 1
1 171 . 3 1 1 A 19 19 LYS CB C 19 32.332 32.398 -0.066 1
1 175 . 3 1 1 A 19 19 LYS N N 19 118.242 118.143 0.099 1
1 176 . 3 1 1 A 20 20 ALA H H 20 7.717 7.925 -0.208 1
1 177 . 3 1 1 A 20 20 ALA HA H 20 4.202 4.070 0.132 1
1 181 . 3 1 1 A 20 20 ALA C C 20 180.732 179.899 0.833 1
1 182 . 3 1 1 A 20 20 ALA CA C 20 54.879 55.250 -0.371 1
1 183 . 3 1 1 A 20 20 ALA CB C 20 17.608 18.604 -0.996 1
1 184 . 3 1 1 A 20 20 ALA N N 20 122.505 121.559 0.946 1
1 185 . 3 1 1 A 21 21 TYR HA H 21 4.236 4.328 -0.092 1
1 192 . 3 1 1 A 21 21 TYR C C 21 178.839 178.183 0.656 1
1 193 . 3 1 1 A 21 21 TYR CA C 21 63.047 60.955 2.092 1
1 194 . 3 1 1 A 21 21 TYR CB C 21 38.388 38.852 -0.464 1
1 199 . 3 1 1 A 22 22 TYR H H 22 8.857 8.495 0.362 1
1 200 . 3 1 1 A 22 22 TYR HA H 22 4.305 4.768 -0.463 1
1 207 . 3 1 1 A 22 22 TYR C C 22 176.338 177.334 -0.996 1
1 208 . 3 1 1 A 22 22 TYR CA C 22 61.389 62.120 -0.731 1
1 209 . 3 1 1 A 22 22 TYR CB C 22 38.790 39.108 -0.318 1
1 214 . 3 1 1 A 22 22 TYR N N 22 122.639 120.259 2.380 1
1 215 . 3 1 1 A 23 23 ALA H H 23 7.762 8.161 -0.399 1
1 216 . 3 1 1 A 23 23 ALA HA H 23 4.047 4.197 -0.150 1
1 220 . 3 1 1 A 23 23 ALA C C 23 179.179 179.496 -0.317 1
1 221 . 3 1 1 A 23 23 ALA CA C 23 53.906 55.435 -1.529 1
1 222 . 3 1 1 A 23 23 ALA CB C 23 18.328 18.782 -0.454 1
1 223 . 3 1 1 A 23 23 ALA N N 23 117.361 121.808 -4.447 1
1 224 . 3 1 1 A 24 24 LEU H H 24 7.267 7.544 -0.277 1
1 225 . 3 1 1 A 24 24 LEU HA H 24 4.210 4.266 -0.056 1
1 235 . 3 1 1 A 24 24 LEU C C 24 177.673 176.288 1.385 1
1 236 . 3 1 1 A 24 24 LEU CA C 24 56.382 56.836 -0.454 1
1 237 . 3 1 1 A 24 24 LEU CB C 24 42.933 42.490 0.443 1
1 241 . 3 1 1 A 24 24 LEU N N 24 117.259 114.830 2.429 1
1 242 . 3 1 1 A 25 25 ASN H H 25 7.862 8.287 -0.425 1
1 243 . 3 1 1 A 25 25 ASN HA H 25 4.466 4.879 -0.413 1
1 248 . 3 1 1 A 25 25 ASN C C 25 173.036 175.130 -2.094 1
1 249 . 3 1 1 A 25 25 ASN CA C 25 53.077 51.362 1.715 1
1 250 . 3 1 1 A 25 25 ASN CB C 25 37.853 38.578 -0.725 1
1 251 . 3 1 1 A 25 25 ASN N N 25 116.521 118.209 -1.688 1
1 253 . 3 1 1 A 26 26 ALA H H 26 8.283 8.429 -0.146 1
1 254 . 3 1 1 A 26 26 ALA HA H 26 3.905 3.301 0.604 1
1 258 . 3 1 1 A 26 26 ALA C C 26 177.212 177.843 -0.631 1
1 259 . 3 1 1 A 26 26 ALA CA C 26 53.323 54.738 -1.415 1
1 260 . 3 1 1 A 26 26 ALA CB C 26 19.548 18.486 1.062 1
1 261 . 3 1 1 A 26 26 ALA N N 26 126.202 127.955 -1.753 1
1 262 . 3 1 1 A 27 27 GLN H H 27 7.729 7.873 -0.144 1
1 263 . 3 1 1 A 27 27 GLN HA H 27 4.619 4.409 0.210 1
1 270 . 3 1 1 A 27 27 GLN C C 27 172.090 174.333 -2.243 1
1 271 . 3 1 1 A 27 27 GLN CA C 27 52.706 53.166 -0.460 1
1 272 . 3 1 1 A 27 27 GLN CB C 27 29.636 28.438 1.198 1
1 274 . 3 1 1 A 27 27 GLN N N 27 113.721 113.400 0.321 1
1 276 . 3 1 1 A 28 28 PRO HA H 28 4.485 4.455 0.030 1
1 283 . 3 1 1 A 28 28 PRO C C 28 177.018 176.482 0.536 1
1 284 . 3 1 1 A 28 28 PRO CA C 28 62.562 62.160 0.402 1
1 285 . 3 1 1 A 28 28 PRO CB C 28 31.813 32.251 -0.438 1
1 288 . 3 1 1 A 29 29 SER H H 29 9.097 8.262 0.835 1
1 289 . 3 1 1 A 29 29 SER HA H 29 4.398 4.644 -0.246 1
1 292 . 3 1 1 A 29 29 SER C C 29 174.372 175.403 -1.031 1
1 293 . 3 1 1 A 29 29 SER CA C 29 56.986 56.325 0.661 1
1 294 . 3 1 1 A 29 29 SER CB C 29 65.661 65.430 0.231 1
1 295 . 3 1 1 A 29 29 SER N N 29 118.156 114.506 3.650 1
1 296 . 3 1 1 A 30 30 ALA H H 30 8.916 8.938 -0.022 1
1 297 . 3 1 1 A 30 30 ALA HA H 30 3.965 4.010 -0.045 1
1 301 . 3 1 1 A 30 30 ALA C C 30 180.732 179.784 0.948 1
1 302 . 3 1 1 A 30 30 ALA CA C 30 56.044 55.368 0.676 1
1 303 . 3 1 1 A 30 30 ALA CB C 30 17.925 18.413 -0.488 1
1 304 . 3 1 1 A 30 30 ALA N N 30 123.162 123.306 -0.144 1
1 305 . 3 1 1 A 31 31 GLU H H 31 8.591 8.117 0.474 1
1 306 . 3 1 1 A 31 31 GLU HA H 31 4.011 4.063 -0.052 1
1 310 . 3 1 1 A 31 31 GLU C C 31 179.519 178.917 0.602 1
1 311 . 3 1 1 A 31 31 GLU CA C 31 59.788 59.533 0.255 1
1 312 . 3 1 1 A 31 31 GLU CB C 31 29.349 29.201 0.148 1
1 314 . 3 1 1 A 31 31 GLU N N 31 118.280 118.165 0.115 1
1 315 . 3 1 1 A 32 32 GLU H H 32 7.702 8.034 -0.332 1
1 316 . 3 1 1 A 32 32 GLU HA H 32 3.844 4.133 -0.289 1
1 320 . 3 1 1 A 32 32 GLU C C 32 179.446 178.789 0.657 1
1 321 . 3 1 1 A 32 32 GLU CA C 32 59.408 58.815 0.593 1
1 322 . 3 1 1 A 32 32 GLU CB C 32 29.829 30.262 -0.433 1
1 324 . 3 1 1 A 32 32 GLU N N 32 121.025 120.080 0.945 1
1 325 . 3 1 1 A 33 33 LEU H H 33 8.679 8.383 0.296 1
1 326 . 3 1 1 A 33 33 LEU HA H 33 3.645 3.933 -0.288 1
1 336 . 3 1 1 A 33 33 LEU C C 33 178.378 178.795 -0.417 1
1 337 . 3 1 1 A 33 33 LEU CA C 33 58.218 57.910 0.308 1
1 338 . 3 1 1 A 33 33 LEU CB C 33 42.339 42.003 0.336 1
1 342 . 3 1 1 A 33 33 LEU N N 33 119.993 121.257 -1.264 1
1 343 . 3 1 1 A 34 34 SER H H 34 7.727 7.998 -0.271 1
1 344 . 3 1 1 A 34 34 SER HA H 34 4.116 4.048 0.068 1
1 347 . 3 1 1 A 34 34 SER C C 34 176.484 176.995 -0.511 1
1 348 . 3 1 1 A 34 34 SER CA C 34 62.063 61.649 0.414 1
1 349 . 3 1 1 A 34 34 SER CB C 34 62.725 62.952 -0.227 1
1 350 . 3 1 1 A 34 34 SER N N 34 113.341 113.084 0.257 1
1 351 . 3 1 1 A 35 35 LYS H H 35 7.525 7.992 -0.467 1
1 352 . 3 1 1 A 35 35 LYS HA H 35 4.122 3.936 0.186 1
1 361 . 3 1 1 A 35 35 LYS C C 35 180.368 178.595 1.773 1
1 362 . 3 1 1 A 35 35 LYS CA C 35 59.502 59.846 -0.344 1
1 363 . 3 1 1 A 35 35 LYS CB C 35 32.414 32.535 -0.121 1
1 367 . 3 1 1 A 35 35 LYS N N 35 120.812 121.072 -0.260 1
1 368 . 3 1 1 A 36 36 ILE H H 36 8.219 8.133 0.086 1
1 369 . 3 1 1 A 36 36 ILE HA H 36 3.280 3.624 -0.344 1
1 379 . 3 1 1 A 36 36 ILE C C 36 178.159 177.985 0.174 1
1 380 . 3 1 1 A 36 36 ILE CA C 36 65.794 65.234 0.560 1
1 381 . 3 1 1 A 36 36 ILE CB C 36 38.008 37.345 0.663 1
1 385 . 3 1 1 A 36 36 ILE N N 36 122.240 119.817 2.423 1
1 386 . 3 1 1 A 37 37 ALA H H 37 8.438 8.243 0.195 1
1 387 . 3 1 1 A 37 37 ALA HA H 37 3.862 3.967 -0.105 1
1 391 . 3 1 1 A 37 37 ALA C C 37 179.276 178.782 0.494 1
1 392 . 3 1 1 A 37 37 ALA CA C 37 56.223 55.761 0.462 1
1 393 . 3 1 1 A 37 37 ALA CB C 37 17.186 18.272 -1.086 1
1 394 . 3 1 1 A 37 37 ALA N N 37 122.058 122.439 -0.381 1
1 395 . 3 1 1 A 38 38 ASP H H 38 8.072 8.298 -0.226 1
1 396 . 3 1 1 A 38 38 ASP HA H 38 4.495 4.347 0.148 1
1 399 . 3 1 1 A 38 38 ASP C C 38 178.984 177.997 0.987 1
1 400 . 3 1 1 A 38 38 ASP CA C 38 56.857 57.311 -0.454 1
1 401 . 3 1 1 A 38 38 ASP CB C 38 40.813 41.896 -1.083 1
1 402 . 3 1 1 A 38 38 ASP N N 38 115.894 118.928 -3.034 1
1 403 . 3 1 1 A 39 39 SER H H 39 7.954 7.507 0.447 1
1 404 . 3 1 1 A 39 39 SER HA H 39 4.247 4.317 -0.070 1
1 406 . 3 1 1 A 39 39 SER C C 39 175.610 176.096 -0.486 1
1 407 . 3 1 1 A 39 39 SER CA C 39 61.580 62.313 -0.733 1
1 408 . 3 1 1 A 39 39 SER CB C 39 63.373 63.334 0.039 1
1 409 . 3 1 1 A 39 39 SER N N 39 114.432 116.019 -1.587 1
1 410 . 3 1 1 A 40 40 VAL H H 40 7.850 7.320 0.530 1
1 411 . 3 1 1 A 40 40 VAL HA H 40 4.456 4.265 0.191 1
1 419 . 3 1 1 A 40 40 VAL C C 40 174.445 174.655 -0.210 1
1 420 . 3 1 1 A 40 40 VAL CA C 40 60.913 61.105 -0.192 1
1 421 . 3 1 1 A 40 40 VAL CB C 40 31.778 31.146 0.632 1
1 424 . 3 1 1 A 40 40 VAL N N 40 111.349 114.729 -3.380 1
1 425 . 3 1 1 A 41 41 ASN H H 41 7.804 7.995 -0.191 1
1 426 . 3 1 1 A 41 41 ASN HA H 41 4.348 4.322 0.026 1
1 431 . 3 1 1 A 41 41 ASN C C 41 174.008 173.791 0.217 1
1 432 . 3 1 1 A 41 41 ASN CA C 41 54.066 54.388 -0.322 1
1 433 . 3 1 1 A 41 41 ASN CB C 41 37.225 36.792 0.433 1
1 434 . 3 1 1 A 41 41 ASN N N 41 117.410 115.437 1.973 1
1 436 . 3 1 1 A 42 42 LEU H H 42 7.904 7.623 0.281 1
1 437 . 3 1 1 A 42 42 LEU HA H 42 5.001 4.784 0.217 1
1 447 . 3 1 1 A 42 42 LEU C C 42 173.886 174.188 -0.302 1
1 448 . 3 1 1 A 42 42 LEU CA C 42 51.484 51.483 0.001 1
1 449 . 3 1 1 A 42 42 LEU CB C 42 45.928 44.686 1.242 1
1 453 . 3 1 1 A 42 42 LEU N N 42 117.347 118.944 -1.597 1
1 454 . 3 1 1 A 43 43 PRO HA H 43 4.423 4.554 -0.131 1
1 461 . 3 1 1 A 43 43 PRO C C 43 178.013 176.678 1.335 1
1 462 . 3 1 1 A 43 43 PRO CA C 43 62.234 62.301 -0.067 1
1 463 . 3 1 1 A 43 43 PRO CB C 43 32.616 33.551 -0.935 1
1 466 . 3 1 1 A 44 44 LEU H H 44 8.758 8.870 -0.112 1
1 467 . 3 1 1 A 44 44 LEU HA H 44 3.780 4.191 -0.411 1
1 477 . 3 1 1 A 44 44 LEU C C 44 178.208 178.115 0.093 1
1 478 . 3 1 1 A 44 44 LEU CA C 44 58.592 56.952 1.640 1
1 479 . 3 1 1 A 44 44 LEU CB C 44 41.747 41.799 -0.052 1
1 483 . 3 1 1 A 44 44 LEU N N 44 125.847 122.327 3.520 1
1 484 . 3 1 1 A 45 45 ASP H H 45 8.822 8.319 0.503 1
1 485 . 3 1 1 A 45 45 ASP HA H 45 4.270 4.390 -0.120 1
1 488 . 3 1 1 A 45 45 ASP C C 45 178.523 178.445 0.078 1
1 489 . 3 1 1 A 45 45 ASP CA C 45 57.621 57.077 0.544 1
1 490 . 3 1 1 A 45 45 ASP CB C 45 40.612 40.070 0.542 1
1 491 . 3 1 1 A 45 45 ASP N N 45 114.687 118.291 -3.604 1
1 492 . 3 1 1 A 46 46 VAL H H 46 7.098 7.933 -0.835 1
1 493 . 3 1 1 A 46 46 VAL HA H 46 3.707 3.674 0.033 1
1 501 . 3 1 1 A 46 46 VAL C C 46 178.353 178.596 -0.243 1
1 502 . 3 1 1 A 46 46 VAL CA C 46 65.770 66.627 -0.857 1
1 503 . 3 1 1 A 46 46 VAL CB C 46 32.179 31.636 0.543 1
1 506 . 3 1 1 A 46 46 VAL N N 46 118.849 120.470 -1.621 1
1 507 . 3 1 1 A 47 47 VAL H H 47 7.429 7.725 -0.296 1
1 508 . 3 1 1 A 47 47 VAL HA H 47 3.633 3.577 0.056 1
1 516 . 3 1 1 A 47 47 VAL C C 47 177.698 178.512 -0.814 1
1 517 . 3 1 1 A 47 47 VAL CA C 47 67.413 66.761 0.652 1
1 518 . 3 1 1 A 47 47 VAL CB C 47 32.258 31.527 0.731 1
1 521 . 3 1 1 A 47 47 VAL N N 47 120.616 120.478 0.138 1
1 522 . 3 1 1 A 48 48 LYS H H 48 9.110 7.800 1.310 1
1 523 . 3 1 1 A 48 48 LYS HA H 48 4.005 4.185 -0.180 1
1 531 . 3 1 1 A 48 48 LYS C C 48 178.717 179.521 -0.804 1
1 532 . 3 1 1 A 48 48 LYS CA C 48 60.749 60.338 0.411 1
1 533 . 3 1 1 A 48 48 LYS CB C 48 33.140 32.516 0.624 1
1 537 . 3 1 1 A 48 48 LYS N N 48 119.748 119.236 0.512 1
1 538 . 3 1 1 A 49 49 LYS H H 49 7.901 8.316 -0.415 1
1 539 . 3 1 1 A 49 49 LYS HA H 49 4.116 4.029 0.087 1
1 547 . 3 1 1 A 49 49 LYS C C 49 178.863 178.713 0.150 1
1 548 . 3 1 1 A 49 49 LYS CA C 49 59.087 59.664 -0.577 1
1 549 . 3 1 1 A 49 49 LYS CB C 49 32.085 32.236 -0.151 1
1 553 . 3 1 1 A 49 49 LYS N N 49 117.787 118.881 -1.094 1
1 554 . 3 1 1 A 50 50 TRP H H 50 8.060 7.875 0.185 1
1 555 . 3 1 1 A 50 50 TRP HA H 50 4.089 4.206 -0.117 1
1 564 . 3 1 1 A 50 50 TRP C C 50 178.547 178.032 0.515 1
1 565 . 3 1 1 A 50 50 TRP CA C 50 62.575 60.801 1.774 1
1 566 . 3 1 1 A 50 50 TRP CB C 50 28.755 29.863 -1.108 1
1 572 . 3 1 1 A 50 50 TRP N N 50 121.102 121.272 -0.170 1
1 574 . 3 1 1 A 51 51 PHE H H 51 8.695 8.132 0.563 1
1 575 . 3 1 1 A 51 51 PHE HA H 51 3.750 4.534 -0.784 1
1 583 . 3 1 1 A 51 51 PHE C C 51 178.620 178.398 0.222 1
1 584 . 3 1 1 A 51 51 PHE CA C 51 63.542 62.122 1.420 1
1 585 . 3 1 1 A 51 51 PHE CB C 51 39.112 38.806 0.306 1
1 591 . 3 1 1 A 51 51 PHE N N 51 118.773 118.082 0.691 1
1 592 . 3 1 1 A 52 52 GLU H H 52 8.399 8.423 -0.024 1
1 593 . 3 1 1 A 52 52 GLU HA H 52 4.077 3.888 0.189 1
1 598 . 3 1 1 A 52 52 GLU C C 52 179.834 178.775 1.059 1
1 599 . 3 1 1 A 52 52 GLU CA C 52 59.657 59.995 -0.338 1
1 600 . 3 1 1 A 52 52 GLU CB C 52 29.561 29.380 0.181 1
1 602 . 3 1 1 A 52 52 GLU N N 52 118.518 118.588 -0.070 1
1 603 . 3 1 1 A 53 53 LYS H H 53 7.957 8.191 -0.234 1
1 604 . 3 1 1 A 53 53 LYS HA H 53 3.981 3.965 0.016 1
1 612 . 3 1 1 A 53 53 LYS C C 53 179.349 178.346 1.003 1
1 613 . 3 1 1 A 53 53 LYS CA C 53 59.087 59.125 -0.038 1
1 614 . 3 1 1 A 53 53 LYS CB C 53 32.091 32.210 -0.119 1
1 618 . 3 1 1 A 53 53 LYS N N 53 120.286 119.493 0.793 1
1 619 . 3 1 1 A 54 54 MET H H 54 7.762 7.990 -0.228 1
1 620 . 3 1 1 A 54 54 MET HA H 54 3.853 3.680 0.173 1
1 626 . 3 1 1 A 54 54 MET C C 54 179.349 177.924 1.425 1
1 627 . 3 1 1 A 54 54 MET CA C 54 57.071 58.288 -1.217 1
1 628 . 3 1 1 A 54 54 MET CB C 54 31.158 31.171 -0.013 1
1 631 . 3 1 1 A 54 54 MET N N 54 119.874 118.294 1.580 1
1 632 . 3 1 1 A 55 55 GLN H H 55 8.284 8.433 -0.149 1
1 633 . 3 1 1 A 55 55 GLN HA H 55 4.172 4.224 -0.052 1
1 640 . 3 1 1 A 55 55 GLN C C 55 178.013 177.834 0.179 1
1 641 . 3 1 1 A 55 55 GLN CA C 55 57.906 58.978 -1.072 1
1 642 . 3 1 1 A 55 55 GLN CB C 55 28.308 28.334 -0.026 1
1 644 . 3 1 1 A 55 55 GLN N N 55 119.171 117.801 1.370 1
1 646 . 3 1 1 A 56 56 ALA H H 56 7.665 7.237 0.428 1
1 647 . 3 1 1 A 56 56 ALA HA H 56 4.289 4.324 -0.035 1
1 651 . 3 1 1 A 56 56 ALA C C 56 178.572 177.546 1.026 1
1 652 . 3 1 1 A 56 56 ALA CA C 56 53.041 52.286 0.755 1
1 653 . 3 1 1 A 56 56 ALA CB C 56 18.784 19.562 -0.778 1
1 654 . 3 1 1 A 56 56 ALA N N 56 120.252 119.282 0.970 1
1 655 . 3 1 1 A 57 57 GLY H H 57 7.802 7.929 -0.127 1
1 656 . 3 1 1 A 57 57 GLY HA2 H 57 3.945 3.927 0.018 1
1 657 . 3 1 1 A 57 57 GLY HA3 H 57 3.945 3.954 -0.009 1
1 658 . 3 1 1 A 57 57 GLY C C 57 174.809 175.111 -0.302 1
1 659 . 3 1 1 A 57 57 GLY CA C 57 45.748 45.403 0.345 1
1 660 . 3 1 1 A 57 57 GLY N N 57 106.361 105.957 0.404 1
1 661 . 3 1 1 A 58 58 GLN H H 58 7.961 8.038 -0.077 1
1 662 . 3 1 1 A 58 58 GLN HA H 58 4.280 4.181 0.099 1
1 669 . 3 1 1 A 58 58 GLN C C 58 175.877 176.543 -0.666 1
1 670 . 3 1 1 A 58 58 GLN CA C 58 55.890 57.710 -1.820 1
1 671 . 3 1 1 A 58 58 GLN CB C 58 29.211 29.473 -0.262 1
1 673 . 3 1 1 A 58 58 GLN N N 58 118.690 117.639 1.051 1
1 675 . 3 1 1 A 59 59 ILE H H 59 7.828 7.545 0.283 1
1 676 . 3 1 1 A 59 59 ILE HA H 59 4.178 4.131 0.047 1
1 686 . 3 1 1 A 59 59 ILE C C 59 175.950 174.434 1.516 1
1 687 . 3 1 1 A 59 59 ILE CA C 59 60.796 61.002 -0.206 1
1 688 . 3 1 1 A 59 59 ILE CB C 59 38.884 36.075 2.809 1
1 692 . 3 1 1 A 59 59 ILE N N 59 119.986 121.389 -1.403 1
1 693 . 3 1 1 A 60 60 SER H H 60 8.358 8.123 0.235 1
1 694 . 3 1 1 A 60 60 SER HA H 60 4.485 4.866 -0.381 1
1 697 . 3 1 1 A 60 60 SER C C 60 174.542 172.048 2.494 1
1 698 . 3 1 1 A 60 60 SER CA C 60 58.000 57.528 0.472 1
1 699 . 3 1 1 A 60 60 SER CB C 60 63.869 65.706 -1.837 1
1 700 . 3 1 1 A 60 60 SER N N 60 119.848 119.776 0.072 1
1 701 . 3 1 1 A 61 61 VAL H H 61 8.223 8.644 -0.421 1
1 702 . 3 1 1 A 61 61 VAL HA H 61 4.132 4.530 -0.398 1
1 710 . 3 1 1 A 61 61 VAL C C 61 176.023 176.007 0.016 1
1 711 . 3 1 1 A 61 61 VAL CA C 61 62.254 61.559 0.695 1
1 712 . 3 1 1 A 61 61 VAL CB C 61 32.702 32.939 -0.237 1
1 715 . 3 1 1 A 61 61 VAL N N 61 121.796 120.466 1.330 1
1 716 . 3 1 1 A 62 62 GLN H H 62 8.405 8.494 -0.089 1
1 717 . 3 1 1 A 62 62 GLN HA H 62 4.389 4.246 0.143 1
1 724 . 3 1 1 A 62 62 GLN C C 62 175.901 175.934 -0.033 1
1 725 . 3 1 1 A 62 62 GLN CA C 62 55.792 57.151 -1.359 1
1 726 . 3 1 1 A 62 62 GLN CB C 62 29.530 29.053 0.477 1
1 728 . 3 1 1 A 62 62 GLN N N 62 123.728 126.905 -3.177 1
1 730 . 3 1 1 A 63 63 SER H H 63 8.396 8.850 -0.454 1
1 731 . 3 1 1 A 63 63 SER HA H 63 4.482 5.069 -0.587 1
1 734 . 3 1 1 A 63 63 SER C C 63 173.668 172.063 1.605 1
1 735 . 3 1 1 A 63 63 SER CA C 63 58.445 57.394 1.051 1
1 736 . 3 1 1 A 63 63 SER CB C 63 63.964 66.243 -2.279 1
1 737 . 3 1 1 A 63 63 SER N N 63 118.100 117.935 0.165 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.502 4.856 -0.354 1
1 4 . 4 1 1 A 6 6 SER C C 6 175.076 174.612 0.464 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.733 57.784 0.949 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.809 64.531 -0.722 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.416 8.659 -0.243 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.966 4.000 -0.034 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.966 4.000 -0.034 1
1 10 . 4 1 1 A 7 7 GLY C C 7 173.813 174.966 -1.153 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.226 45.409 -0.183 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.646 109.537 1.109 1
1 13 . 4 1 1 A 8 8 GLN H H 8 8.187 7.893 0.294 1
1 14 . 4 1 1 A 8 8 GLN HA H 8 4.656 4.587 0.069 1
1 21 . 4 1 1 A 8 8 GLN C C 8 173.741 173.982 -0.241 1
1 22 . 4 1 1 A 8 8 GLN CA C 8 53.677 53.579 0.098 1
1 23 . 4 1 1 A 8 8 GLN CB C 8 29.079 28.206 0.873 1
1 25 . 4 1 1 A 8 8 GLN N N 8 120.767 120.751 0.016 1
1 27 . 4 1 1 A 9 9 PRO HA H 9 4.723 4.640 0.083 1
1 34 . 4 1 1 A 9 9 PRO CB C 9 27.766 31.584 -3.818 1
1 37 . 4 1 1 A 10 10 PRO HA H 10 4.444 4.620 -0.176 1
1 43 . 4 1 1 A 10 10 PRO C C 10 177.309 176.449 0.860 1
1 44 . 4 1 1 A 10 10 PRO CA C 10 63.083 62.257 0.826 1
1 45 . 4 1 1 A 10 10 PRO CB C 10 31.881 32.361 -0.480 1
1 48 . 4 1 1 A 11 11 LEU H H 11 8.323 8.389 -0.066 1
1 49 . 4 1 1 A 11 11 LEU HA H 11 4.105 4.233 -0.128 1
1 59 . 4 1 1 A 11 11 LEU C C 11 178.232 178.159 0.073 1
1 60 . 4 1 1 A 11 11 LEU CA C 11 56.572 55.988 0.584 1
1 61 . 4 1 1 A 11 11 LEU CB C 11 42.000 43.022 -1.022 1
1 64 . 4 1 1 A 11 11 LEU N N 11 122.449 123.193 -0.744 1
1 65 . 4 1 1 A 12 12 LYS H H 12 8.319 8.658 -0.339 1
1 66 . 4 1 1 A 12 12 LYS HA H 12 3.986 4.061 -0.075 1
1 73 . 4 1 1 A 12 12 LYS C C 12 177.722 178.330 -0.608 1
1 74 . 4 1 1 A 12 12 LYS CA C 12 58.842 59.146 -0.304 1
1 75 . 4 1 1 A 12 12 LYS CB C 12 32.388 31.999 0.389 1
1 79 . 4 1 1 A 12 12 LYS N N 12 118.575 124.951 -6.376 1
1 80 . 4 1 1 A 13 13 ASN H H 13 8.076 8.337 -0.261 1
1 81 . 4 1 1 A 13 13 ASN HA H 13 4.597 4.359 0.238 1
1 86 . 4 1 1 A 13 13 ASN C C 13 176.702 177.371 -0.669 1
1 87 . 4 1 1 A 13 13 ASN CA C 13 54.525 56.480 -1.955 1
1 88 . 4 1 1 A 13 13 ASN CB C 13 38.035 38.352 -0.317 1
1 89 . 4 1 1 A 13 13 ASN N N 13 117.381 118.048 -0.667 1
1 91 . 4 1 1 A 14 14 LEU H H 14 7.948 7.498 0.450 1
1 92 . 4 1 1 A 14 14 LEU HA H 14 4.099 3.978 0.121 1
1 102 . 4 1 1 A 14 14 LEU C C 14 177.868 178.937 -1.069 1
1 103 . 4 1 1 A 14 14 LEU CA C 14 56.861 58.084 -1.223 1
1 104 . 4 1 1 A 14 14 LEU CB C 14 42.012 41.165 0.847 1
1 108 . 4 1 1 A 14 14 LEU N N 14 121.775 118.715 3.060 1
1 109 . 4 1 1 A 15 15 LEU H H 15 7.996 8.564 -0.568 1
1 110 . 4 1 1 A 15 15 LEU HA H 15 3.705 3.718 -0.013 1
1 120 . 4 1 1 A 15 15 LEU C C 15 178.887 179.223 -0.336 1
1 121 . 4 1 1 A 15 15 LEU CA C 15 58.201 57.935 0.266 1
1 122 . 4 1 1 A 15 15 LEU CB C 15 41.067 41.492 -0.425 1
1 126 . 4 1 1 A 15 15 LEU N N 15 119.072 120.545 -1.473 1
1 127 . 4 1 1 A 16 16 SER H H 16 7.968 7.701 0.267 1
1 128 . 4 1 1 A 16 16 SER HA H 16 4.064 4.228 -0.164 1
1 131 . 4 1 1 A 16 16 SER C C 16 176.897 177.012 -0.115 1
1 132 . 4 1 1 A 16 16 SER CA C 16 61.915 61.049 0.866 1
1 133 . 4 1 1 A 16 16 SER CB C 16 62.496 63.130 -0.634 1
1 134 . 4 1 1 A 16 16 SER N N 16 113.400 114.012 -0.612 1
1 135 . 4 1 1 A 17 17 LEU H H 17 7.487 7.902 -0.415 1
1 136 . 4 1 1 A 17 17 LEU HA H 17 3.980 3.979 0.001 1
1 140 . 4 1 1 A 17 17 LEU C C 17 178.547 179.573 -1.026 1
1 141 . 4 1 1 A 17 17 LEU CA C 17 58.205 57.567 0.638 1
1 142 . 4 1 1 A 17 17 LEU CB C 17 41.973 41.360 0.613 1
1 143 . 4 1 1 A 17 17 LEU N N 17 122.840 122.697 0.143 1
1 144 . 4 1 1 A 18 18 LEU H H 18 7.950 7.769 0.181 1
1 145 . 4 1 1 A 18 18 LEU HA H 18 3.982 4.180 -0.198 1
1 154 . 4 1 1 A 18 18 LEU C C 18 178.645 178.832 -0.187 1
1 155 . 4 1 1 A 18 18 LEU CA C 18 58.203 57.614 0.589 1
1 156 . 4 1 1 A 18 18 LEU CB C 18 38.932 40.669 -1.737 1
1 160 . 4 1 1 A 18 18 LEU N N 18 118.407 119.112 -0.705 1
1 161 . 4 1 1 A 19 19 LYS H H 19 8.352 7.958 0.394 1
1 162 . 4 1 1 A 19 19 LYS HA H 19 4.051 4.068 -0.017 1
1 169 . 4 1 1 A 19 19 LYS C C 19 178.960 179.068 -0.108 1
1 170 . 4 1 1 A 19 19 LYS CA C 19 60.537 60.089 0.448 1
1 171 . 4 1 1 A 19 19 LYS CB C 19 32.332 32.262 0.070 1
1 175 . 4 1 1 A 19 19 LYS N N 19 118.242 117.602 0.640 1
1 176 . 4 1 1 A 20 20 ALA H H 20 7.717 7.941 -0.224 1
1 177 . 4 1 1 A 20 20 ALA HA H 20 4.202 4.000 0.202 1
1 181 . 4 1 1 A 20 20 ALA C C 20 180.732 179.251 1.481 1
1 182 . 4 1 1 A 20 20 ALA CA C 20 54.879 54.994 -0.115 1
1 183 . 4 1 1 A 20 20 ALA CB C 20 17.608 18.338 -0.730 1
1 184 . 4 1 1 A 20 20 ALA N N 20 122.505 121.871 0.634 1
1 185 . 4 1 1 A 21 21 TYR HA H 21 4.236 4.317 -0.081 1
1 192 . 4 1 1 A 21 21 TYR C C 21 178.839 178.457 0.382 1
1 193 . 4 1 1 A 21 21 TYR CA C 21 63.047 61.411 1.636 1
1 194 . 4 1 1 A 21 21 TYR CB C 21 38.388 38.197 0.191 1
1 199 . 4 1 1 A 22 22 TYR H H 22 8.857 7.996 0.861 1
1 200 . 4 1 1 A 22 22 TYR HA H 22 4.305 4.974 -0.669 1
1 207 . 4 1 1 A 22 22 TYR C C 22 176.338 177.479 -1.141 1
1 208 . 4 1 1 A 22 22 TYR CA C 22 61.389 62.169 -0.780 1
1 209 . 4 1 1 A 22 22 TYR CB C 22 38.790 38.892 -0.102 1
1 214 . 4 1 1 A 22 22 TYR N N 22 122.639 120.676 1.963 1
1 215 . 4 1 1 A 23 23 ALA H H 23 7.762 8.406 -0.644 1
1 216 . 4 1 1 A 23 23 ALA HA H 23 4.047 4.041 0.006 1
1 220 . 4 1 1 A 23 23 ALA C C 23 179.179 179.805 -0.626 1
1 221 . 4 1 1 A 23 23 ALA CA C 23 53.906 55.202 -1.296 1
1 222 . 4 1 1 A 23 23 ALA CB C 23 18.328 18.617 -0.289 1
1 223 . 4 1 1 A 23 23 ALA N N 23 117.361 121.906 -4.545 1
1 224 . 4 1 1 A 24 24 LEU H H 24 7.267 8.028 -0.761 1
1 225 . 4 1 1 A 24 24 LEU HA H 24 4.210 4.053 0.157 1
1 235 . 4 1 1 A 24 24 LEU C C 24 177.673 177.078 0.595 1
1 236 . 4 1 1 A 24 24 LEU CA C 24 56.382 57.642 -1.260 1
1 237 . 4 1 1 A 24 24 LEU CB C 24 42.933 41.344 1.589 1
1 241 . 4 1 1 A 24 24 LEU N N 24 117.259 115.933 1.326 1
1 242 . 4 1 1 A 25 25 ASN H H 25 7.862 8.301 -0.439 1
1 243 . 4 1 1 A 25 25 ASN HA H 25 4.466 4.973 -0.507 1
1 248 . 4 1 1 A 25 25 ASN C C 25 173.036 175.240 -2.204 1
1 249 . 4 1 1 A 25 25 ASN CA C 25 53.077 51.867 1.210 1
1 250 . 4 1 1 A 25 25 ASN CB C 25 37.853 39.172 -1.319 1
1 251 . 4 1 1 A 25 25 ASN N N 25 116.521 117.354 -0.833 1
1 253 . 4 1 1 A 26 26 ALA H H 26 8.283 8.724 -0.441 1
1 254 . 4 1 1 A 26 26 ALA HA H 26 3.905 3.673 0.232 1
1 258 . 4 1 1 A 26 26 ALA C C 26 177.212 177.944 -0.732 1
1 259 . 4 1 1 A 26 26 ALA CA C 26 53.323 54.998 -1.675 1
1 260 . 4 1 1 A 26 26 ALA CB C 26 19.548 18.939 0.609 1
1 261 . 4 1 1 A 26 26 ALA N N 26 126.202 127.972 -1.770 1
1 262 . 4 1 1 A 27 27 GLN H H 27 7.729 7.939 -0.210 1
1 263 . 4 1 1 A 27 27 GLN HA H 27 4.619 4.631 -0.012 1
1 270 . 4 1 1 A 27 27 GLN C C 27 172.090 174.034 -1.944 1
1 271 . 4 1 1 A 27 27 GLN CA C 27 52.706 53.092 -0.386 1
1 272 . 4 1 1 A 27 27 GLN CB C 27 29.636 28.652 0.984 1
1 274 . 4 1 1 A 27 27 GLN N N 27 113.721 113.633 0.088 1
1 276 . 4 1 1 A 28 28 PRO HA H 28 4.485 4.550 -0.065 1
1 283 . 4 1 1 A 28 28 PRO C C 28 177.018 176.556 0.462 1
1 284 . 4 1 1 A 28 28 PRO CA C 28 62.562 62.415 0.147 1
1 285 . 4 1 1 A 28 28 PRO CB C 28 31.813 32.136 -0.323 1
1 288 . 4 1 1 A 29 29 SER H H 29 9.097 8.410 0.687 1
1 289 . 4 1 1 A 29 29 SER HA H 29 4.398 4.652 -0.254 1
1 292 . 4 1 1 A 29 29 SER C C 29 174.372 175.844 -1.472 1
1 293 . 4 1 1 A 29 29 SER CA C 29 56.986 58.094 -1.108 1
1 294 . 4 1 1 A 29 29 SER CB C 29 65.661 64.446 1.215 1
1 295 . 4 1 1 A 29 29 SER N N 29 118.156 118.051 0.105 1
1 296 . 4 1 1 A 30 30 ALA H H 30 8.916 9.019 -0.103 1
1 297 . 4 1 1 A 30 30 ALA HA H 30 3.965 3.997 -0.032 1
1 301 . 4 1 1 A 30 30 ALA C C 30 180.732 179.745 0.987 1
1 302 . 4 1 1 A 30 30 ALA CA C 30 56.044 55.686 0.358 1
1 303 . 4 1 1 A 30 30 ALA CB C 30 17.925 18.470 -0.545 1
1 304 . 4 1 1 A 30 30 ALA N N 30 123.162 125.614 -2.452 1
1 305 . 4 1 1 A 31 31 GLU H H 31 8.591 8.249 0.342 1
1 306 . 4 1 1 A 31 31 GLU HA H 31 4.011 3.990 0.021 1
1 310 . 4 1 1 A 31 31 GLU C C 31 179.519 179.293 0.226 1
1 311 . 4 1 1 A 31 31 GLU CA C 31 59.788 59.445 0.343 1
1 312 . 4 1 1 A 31 31 GLU CB C 31 29.349 29.348 0.001 1
1 314 . 4 1 1 A 31 31 GLU N N 31 118.280 117.623 0.657 1
1 315 . 4 1 1 A 32 32 GLU H H 32 7.702 8.077 -0.375 1
1 316 . 4 1 1 A 32 32 GLU HA H 32 3.844 4.133 -0.289 1
1 320 . 4 1 1 A 32 32 GLU C C 32 179.446 178.959 0.487 1
1 321 . 4 1 1 A 32 32 GLU CA C 32 59.408 58.905 0.503 1
1 322 . 4 1 1 A 32 32 GLU CB C 32 29.829 29.876 -0.047 1
1 324 . 4 1 1 A 32 32 GLU N N 32 121.025 120.041 0.984 1
1 325 . 4 1 1 A 33 33 LEU H H 33 8.679 8.477 0.202 1
1 326 . 4 1 1 A 33 33 LEU HA H 33 3.645 3.901 -0.256 1
1 336 . 4 1 1 A 33 33 LEU C C 33 178.378 178.980 -0.602 1
1 337 . 4 1 1 A 33 33 LEU CA C 33 58.218 57.907 0.311 1
1 338 . 4 1 1 A 33 33 LEU CB C 33 42.339 41.584 0.755 1
1 342 . 4 1 1 A 33 33 LEU N N 33 119.993 121.195 -1.202 1
1 343 . 4 1 1 A 34 34 SER H H 34 7.727 8.205 -0.478 1
1 344 . 4 1 1 A 34 34 SER HA H 34 4.116 4.060 0.056 1
1 347 . 4 1 1 A 34 34 SER C C 34 176.484 177.190 -0.706 1
1 348 . 4 1 1 A 34 34 SER CA C 34 62.063 61.638 0.425 1
1 349 . 4 1 1 A 34 34 SER CB C 34 62.725 63.072 -0.347 1
1 350 . 4 1 1 A 34 34 SER N N 34 113.341 113.183 0.158 1
1 351 . 4 1 1 A 35 35 LYS H H 35 7.525 7.886 -0.361 1
1 352 . 4 1 1 A 35 35 LYS HA H 35 4.122 3.941 0.181 1
1 361 . 4 1 1 A 35 35 LYS C C 35 180.368 179.490 0.878 1
1 362 . 4 1 1 A 35 35 LYS CA C 35 59.502 59.476 0.026 1
1 363 . 4 1 1 A 35 35 LYS CB C 35 32.414 32.340 0.074 1
1 367 . 4 1 1 A 35 35 LYS N N 35 120.812 120.785 0.027 1
1 368 . 4 1 1 A 36 36 ILE H H 36 8.219 7.947 0.272 1
1 369 . 4 1 1 A 36 36 ILE HA H 36 3.280 3.429 -0.149 1
1 379 . 4 1 1 A 36 36 ILE C C 36 178.159 178.624 -0.465 1
1 380 . 4 1 1 A 36 36 ILE CA C 36 65.794 64.658 1.136 1
1 381 . 4 1 1 A 36 36 ILE CB C 36 38.008 37.107 0.901 1
1 385 . 4 1 1 A 36 36 ILE N N 36 122.240 120.103 2.137 1
1 386 . 4 1 1 A 37 37 ALA H H 37 8.438 7.899 0.539 1
1 387 . 4 1 1 A 37 37 ALA HA H 37 3.862 4.011 -0.149 1
1 391 . 4 1 1 A 37 37 ALA C C 37 179.276 178.993 0.283 1
1 392 . 4 1 1 A 37 37 ALA CA C 37 56.223 55.303 0.920 1
1 393 . 4 1 1 A 37 37 ALA CB C 37 17.186 18.826 -1.640 1
1 394 . 4 1 1 A 37 37 ALA N N 37 122.058 123.807 -1.749 1
1 395 . 4 1 1 A 38 38 ASP H H 38 8.072 8.303 -0.231 1
1 396 . 4 1 1 A 38 38 ASP HA H 38 4.495 4.353 0.142 1
1 399 . 4 1 1 A 38 38 ASP C C 38 178.984 177.996 0.988 1
1 400 . 4 1 1 A 38 38 ASP CA C 38 56.857 57.203 -0.346 1
1 401 . 4 1 1 A 38 38 ASP CB C 38 40.813 41.428 -0.615 1
1 402 . 4 1 1 A 38 38 ASP N N 38 115.894 119.185 -3.291 1
1 403 . 4 1 1 A 39 39 SER H H 39 7.954 7.590 0.364 1
1 404 . 4 1 1 A 39 39 SER HA H 39 4.247 4.240 0.007 1
1 406 . 4 1 1 A 39 39 SER C C 39 175.610 176.166 -0.556 1
1 407 . 4 1 1 A 39 39 SER CA C 39 61.580 62.654 -1.074 1
1 408 . 4 1 1 A 39 39 SER CB C 39 63.373 63.224 0.149 1
1 409 . 4 1 1 A 39 39 SER N N 39 114.432 115.942 -1.510 1
1 410 . 4 1 1 A 40 40 VAL H H 40 7.850 7.348 0.502 1
1 411 . 4 1 1 A 40 40 VAL HA H 40 4.456 4.255 0.201 1
1 419 . 4 1 1 A 40 40 VAL C C 40 174.445 176.045 -1.600 1
1 420 . 4 1 1 A 40 40 VAL CA C 40 60.913 61.297 -0.384 1
1 421 . 4 1 1 A 40 40 VAL CB C 40 31.778 31.148 0.630 1
1 424 . 4 1 1 A 40 40 VAL N N 40 111.349 115.086 -3.737 1
1 425 . 4 1 1 A 41 41 ASN H H 41 7.804 8.087 -0.283 1
1 426 . 4 1 1 A 41 41 ASN HA H 41 4.348 4.322 0.026 1
1 431 . 4 1 1 A 41 41 ASN C C 41 174.008 173.749 0.259 1
1 432 . 4 1 1 A 41 41 ASN CA C 41 54.066 54.182 -0.116 1
1 433 . 4 1 1 A 41 41 ASN CB C 41 37.225 37.641 -0.416 1
1 434 . 4 1 1 A 41 41 ASN N N 41 117.410 119.181 -1.771 1
1 436 . 4 1 1 A 42 42 LEU H H 42 7.904 7.477 0.427 1
1 437 . 4 1 1 A 42 42 LEU HA H 42 5.001 4.802 0.199 1
1 447 . 4 1 1 A 42 42 LEU C C 42 173.886 174.288 -0.402 1
1 448 . 4 1 1 A 42 42 LEU CA C 42 51.484 51.497 -0.013 1
1 449 . 4 1 1 A 42 42 LEU CB C 42 45.928 44.156 1.772 1
1 453 . 4 1 1 A 42 42 LEU N N 42 117.347 119.282 -1.935 1
1 454 . 4 1 1 A 43 43 PRO HA H 43 4.423 4.577 -0.154 1
1 461 . 4 1 1 A 43 43 PRO C C 43 178.013 176.621 1.392 1
1 462 . 4 1 1 A 43 43 PRO CA C 43 62.234 62.344 -0.110 1
1 463 . 4 1 1 A 43 43 PRO CB C 43 32.616 33.505 -0.889 1
1 466 . 4 1 1 A 44 44 LEU H H 44 8.758 8.882 -0.124 1
1 467 . 4 1 1 A 44 44 LEU HA H 44 3.780 4.210 -0.430 1
1 477 . 4 1 1 A 44 44 LEU C C 44 178.208 178.198 0.010 1
1 478 . 4 1 1 A 44 44 LEU CA C 44 58.592 56.854 1.738 1
1 479 . 4 1 1 A 44 44 LEU CB C 44 41.747 42.001 -0.254 1
1 483 . 4 1 1 A 44 44 LEU N N 44 125.847 122.308 3.539 1
1 484 . 4 1 1 A 45 45 ASP H H 45 8.822 8.106 0.716 1
1 485 . 4 1 1 A 45 45 ASP HA H 45 4.270 4.488 -0.218 1
1 488 . 4 1 1 A 45 45 ASP C C 45 178.523 178.715 -0.192 1
1 489 . 4 1 1 A 45 45 ASP CA C 45 57.621 56.816 0.805 1
1 490 . 4 1 1 A 45 45 ASP CB C 45 40.612 41.038 -0.426 1
1 491 . 4 1 1 A 45 45 ASP N N 45 114.687 119.167 -4.480 1
1 492 . 4 1 1 A 46 46 VAL H H 46 7.098 7.894 -0.796 1
1 493 . 4 1 1 A 46 46 VAL HA H 46 3.707 3.712 -0.005 1
1 501 . 4 1 1 A 46 46 VAL C C 46 178.353 178.521 -0.168 1
1 502 . 4 1 1 A 46 46 VAL CA C 46 65.770 66.495 -0.725 1
1 503 . 4 1 1 A 46 46 VAL CB C 46 32.179 31.581 0.598 1
1 506 . 4 1 1 A 46 46 VAL N N 46 118.849 120.252 -1.403 1
1 507 . 4 1 1 A 47 47 VAL H H 47 7.429 8.131 -0.702 1
1 508 . 4 1 1 A 47 47 VAL HA H 47 3.633 3.682 -0.049 1
1 516 . 4 1 1 A 47 47 VAL C C 47 177.698 178.417 -0.719 1
1 517 . 4 1 1 A 47 47 VAL CA C 47 67.413 66.763 0.650 1
1 518 . 4 1 1 A 47 47 VAL CB C 47 32.258 31.761 0.497 1
1 521 . 4 1 1 A 47 47 VAL N N 47 120.616 120.672 -0.056 1
1 522 . 4 1 1 A 48 48 LYS H H 48 9.110 7.848 1.262 1
1 523 . 4 1 1 A 48 48 LYS HA H 48 4.005 4.079 -0.074 1
1 531 . 4 1 1 A 48 48 LYS C C 48 178.717 179.205 -0.488 1
1 532 . 4 1 1 A 48 48 LYS CA C 48 60.749 60.583 0.166 1
1 533 . 4 1 1 A 48 48 LYS CB C 48 33.140 32.416 0.724 1
1 537 . 4 1 1 A 48 48 LYS N N 48 119.748 119.231 0.517 1
1 538 . 4 1 1 A 49 49 LYS H H 49 7.901 7.907 -0.006 1
1 539 . 4 1 1 A 49 49 LYS HA H 49 4.116 4.025 0.091 1
1 547 . 4 1 1 A 49 49 LYS C C 49 178.863 178.707 0.156 1
1 548 . 4 1 1 A 49 49 LYS CA C 49 59.087 59.468 -0.381 1
1 549 . 4 1 1 A 49 49 LYS CB C 49 32.085 32.216 -0.131 1
1 553 . 4 1 1 A 49 49 LYS N N 49 117.787 119.563 -1.776 1
1 554 . 4 1 1 A 50 50 TRP H H 50 8.060 7.775 0.285 1
1 555 . 4 1 1 A 50 50 TRP HA H 50 4.089 4.160 -0.071 1
1 564 . 4 1 1 A 50 50 TRP C C 50 178.547 178.158 0.389 1
1 565 . 4 1 1 A 50 50 TRP CA C 50 62.575 60.715 1.860 1
1 566 . 4 1 1 A 50 50 TRP CB C 50 28.755 29.610 -0.855 1
1 572 . 4 1 1 A 50 50 TRP N N 50 121.102 121.448 -0.346 1
1 574 . 4 1 1 A 51 51 PHE H H 51 8.695 8.249 0.446 1
1 575 . 4 1 1 A 51 51 PHE HA H 51 3.750 4.145 -0.395 1
1 583 . 4 1 1 A 51 51 PHE C C 51 178.620 178.260 0.360 1
1 584 . 4 1 1 A 51 51 PHE CA C 51 63.542 62.103 1.439 1
1 585 . 4 1 1 A 51 51 PHE CB C 51 39.112 38.995 0.117 1
1 591 . 4 1 1 A 51 51 PHE N N 51 118.773 118.091 0.682 1
1 592 . 4 1 1 A 52 52 GLU H H 52 8.399 8.473 -0.074 1
1 593 . 4 1 1 A 52 52 GLU HA H 52 4.077 3.923 0.154 1
1 598 . 4 1 1 A 52 52 GLU C C 52 179.834 179.571 0.263 1
1 599 . 4 1 1 A 52 52 GLU CA C 52 59.657 60.183 -0.526 1
1 600 . 4 1 1 A 52 52 GLU CB C 52 29.561 29.151 0.410 1
1 602 . 4 1 1 A 52 52 GLU N N 52 118.518 118.155 0.363 1
1 603 . 4 1 1 A 53 53 LYS H H 53 7.957 7.893 0.064 1
1 604 . 4 1 1 A 53 53 LYS HA H 53 3.981 3.952 0.029 1
1 612 . 4 1 1 A 53 53 LYS C C 53 179.349 178.734 0.615 1
1 613 . 4 1 1 A 53 53 LYS CA C 53 59.087 59.027 0.060 1
1 614 . 4 1 1 A 53 53 LYS CB C 53 32.091 32.278 -0.187 1
1 618 . 4 1 1 A 53 53 LYS N N 53 120.286 120.193 0.093 1
1 619 . 4 1 1 A 54 54 MET H H 54 7.762 7.874 -0.112 1
1 620 . 4 1 1 A 54 54 MET HA H 54 3.853 3.780 0.073 1
1 626 . 4 1 1 A 54 54 MET C C 54 179.349 177.846 1.503 1
1 627 . 4 1 1 A 54 54 MET CA C 54 57.071 57.876 -0.805 1
1 628 . 4 1 1 A 54 54 MET CB C 54 31.158 31.304 -0.146 1
1 631 . 4 1 1 A 54 54 MET N N 54 119.874 118.559 1.315 1
1 632 . 4 1 1 A 55 55 GLN H H 55 8.284 8.417 -0.133 1
1 633 . 4 1 1 A 55 55 GLN HA H 55 4.172 4.192 -0.020 1
1 640 . 4 1 1 A 55 55 GLN C C 55 178.013 177.529 0.484 1
1 641 . 4 1 1 A 55 55 GLN CA C 55 57.906 58.773 -0.867 1
1 642 . 4 1 1 A 55 55 GLN CB C 55 28.308 28.326 -0.018 1
1 644 . 4 1 1 A 55 55 GLN N N 55 119.171 117.667 1.504 1
1 646 . 4 1 1 A 56 56 ALA H H 56 7.665 7.435 0.230 1
1 647 . 4 1 1 A 56 56 ALA HA H 56 4.289 4.325 -0.036 1
1 651 . 4 1 1 A 56 56 ALA C C 56 178.572 177.786 0.786 1
1 652 . 4 1 1 A 56 56 ALA CA C 56 53.041 52.293 0.748 1
1 653 . 4 1 1 A 56 56 ALA CB C 56 18.784 19.665 -0.881 1
1 654 . 4 1 1 A 56 56 ALA N N 56 120.252 119.159 1.093 1
1 655 . 4 1 1 A 57 57 GLY H H 57 7.802 7.884 -0.082 1
1 656 . 4 1 1 A 57 57 GLY HA2 H 57 3.945 3.898 0.047 1
1 657 . 4 1 1 A 57 57 GLY HA3 H 57 3.945 3.926 0.019 1
1 658 . 4 1 1 A 57 57 GLY C C 57 174.809 174.844 -0.035 1
1 659 . 4 1 1 A 57 57 GLY CA C 57 45.748 45.581 0.167 1
1 660 . 4 1 1 A 57 57 GLY N N 57 106.361 105.844 0.517 1
1 661 . 4 1 1 A 58 58 GLN H H 58 7.961 8.361 -0.400 1
1 662 . 4 1 1 A 58 58 GLN HA H 58 4.280 4.347 -0.067 1
1 669 . 4 1 1 A 58 58 GLN C C 58 175.877 178.111 -2.234 1
1 670 . 4 1 1 A 58 58 GLN CA C 58 55.890 57.722 -1.832 1
1 671 . 4 1 1 A 58 58 GLN CB C 58 29.211 29.602 -0.391 1
1 673 . 4 1 1 A 58 58 GLN N N 58 118.690 118.562 0.128 1
1 675 . 4 1 1 A 59 59 ILE H H 59 7.828 7.765 0.063 1
1 676 . 4 1 1 A 59 59 ILE HA H 59 4.178 3.720 0.458 1
1 686 . 4 1 1 A 59 59 ILE C C 59 175.950 176.595 -0.645 1
1 687 . 4 1 1 A 59 59 ILE CA C 59 60.796 64.989 -4.193 1
1 688 . 4 1 1 A 59 59 ILE CB C 59 38.884 37.866 1.018 1
1 692 . 4 1 1 A 59 59 ILE N N 59 119.986 120.983 -0.997 1
1 693 . 4 1 1 A 60 60 SER H H 60 8.358 7.803 0.555 1
1 694 . 4 1 1 A 60 60 SER HA H 60 4.485 4.745 -0.260 1
1 697 . 4 1 1 A 60 60 SER C C 60 174.542 174.759 -0.217 1
1 698 . 4 1 1 A 60 60 SER CA C 60 58.000 56.982 1.018 1
1 699 . 4 1 1 A 60 60 SER CB C 60 63.869 63.873 -0.004 1
1 700 . 4 1 1 A 60 60 SER N N 60 119.848 114.707 5.141 1
1 701 . 4 1 1 A 61 61 VAL H H 61 8.223 7.493 0.730 1
1 702 . 4 1 1 A 61 61 VAL HA H 61 4.132 3.834 0.298 1
1 710 . 4 1 1 A 61 61 VAL C C 61 176.023 176.530 -0.507 1
1 711 . 4 1 1 A 61 61 VAL CA C 61 62.254 64.453 -2.199 1
1 712 . 4 1 1 A 61 61 VAL CB C 61 32.702 31.666 1.036 1
1 715 . 4 1 1 A 61 61 VAL N N 61 121.796 122.931 -1.135 1
1 716 . 4 1 1 A 62 62 GLN H H 62 8.405 7.552 0.853 1
1 717 . 4 1 1 A 62 62 GLN HA H 62 4.389 4.138 0.251 1
1 724 . 4 1 1 A 62 62 GLN C C 62 175.901 175.498 0.403 1
1 725 . 4 1 1 A 62 62 GLN CA C 62 55.792 56.455 -0.663 1
1 726 . 4 1 1 A 62 62 GLN CB C 62 29.530 29.227 0.303 1
1 728 . 4 1 1 A 62 62 GLN N N 62 123.728 122.429 1.299 1
1 730 . 4 1 1 A 63 63 SER H H 63 8.396 8.520 -0.124 1
1 731 . 4 1 1 A 63 63 SER HA H 63 4.482 4.353 0.129 1
1 734 . 4 1 1 A 63 63 SER C C 63 173.668 173.774 -0.106 1
1 735 . 4 1 1 A 63 63 SER CA C 63 58.445 58.676 -0.231 1
1 736 . 4 1 1 A 63 63 SER CB C 63 63.964 62.950 1.014 1
1 737 . 4 1 1 A 63 63 SER N N 63 118.100 121.617 -3.517 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.502 4.971 -0.469 1
1 4 . 5 1 1 A 6 6 SER C C 6 175.076 173.658 1.418 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.733 57.727 1.006 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.809 67.408 -3.599 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.416 8.630 -0.214 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.966 4.138 -0.172 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.966 4.139 -0.173 1
1 10 . 5 1 1 A 7 7 GLY C C 7 173.813 174.920 -1.107 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.226 45.267 -0.041 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.646 110.366 0.280 1
1 13 . 5 1 1 A 8 8 GLN H H 8 8.187 7.835 0.352 1
1 14 . 5 1 1 A 8 8 GLN HA H 8 4.656 4.335 0.321 1
1 21 . 5 1 1 A 8 8 GLN C C 8 173.741 174.091 -0.350 1
1 22 . 5 1 1 A 8 8 GLN CA C 8 53.677 54.809 -1.132 1
1 23 . 5 1 1 A 8 8 GLN CB C 8 29.079 28.493 0.586 1
1 25 . 5 1 1 A 8 8 GLN N N 8 120.767 119.403 1.364 1
1 27 . 5 1 1 A 9 9 PRO HA H 9 4.723 4.622 0.101 1
1 34 . 5 1 1 A 9 9 PRO CB C 9 27.766 31.610 -3.844 1
1 37 . 5 1 1 A 10 10 PRO HA H 10 4.444 4.566 -0.122 1
1 43 . 5 1 1 A 10 10 PRO C C 10 177.309 176.671 0.638 1
1 44 . 5 1 1 A 10 10 PRO CA C 10 63.083 62.125 0.958 1
1 45 . 5 1 1 A 10 10 PRO CB C 10 31.881 32.970 -1.089 1
1 48 . 5 1 1 A 11 11 LEU H H 11 8.323 8.336 -0.013 1
1 49 . 5 1 1 A 11 11 LEU HA H 11 4.105 4.454 -0.349 1
1 59 . 5 1 1 A 11 11 LEU C C 11 178.232 178.471 -0.239 1
1 60 . 5 1 1 A 11 11 LEU CA C 11 56.572 53.611 2.961 1
1 61 . 5 1 1 A 11 11 LEU CB C 11 42.000 43.888 -1.888 1
1 64 . 5 1 1 A 11 11 LEU N N 11 122.449 119.849 2.600 1
1 65 . 5 1 1 A 12 12 LYS H H 12 8.319 8.838 -0.519 1
1 66 . 5 1 1 A 12 12 LYS HA H 12 3.986 4.069 -0.083 1
1 73 . 5 1 1 A 12 12 LYS C C 12 177.722 178.781 -1.059 1
1 74 . 5 1 1 A 12 12 LYS CA C 12 58.842 59.140 -0.298 1
1 75 . 5 1 1 A 12 12 LYS CB C 12 32.388 32.121 0.267 1
1 79 . 5 1 1 A 12 12 LYS N N 12 118.575 118.047 0.528 1
1 80 . 5 1 1 A 13 13 ASN H H 13 8.076 8.466 -0.390 1
1 81 . 5 1 1 A 13 13 ASN HA H 13 4.597 4.446 0.151 1
1 86 . 5 1 1 A 13 13 ASN C C 13 176.702 177.858 -1.156 1
1 87 . 5 1 1 A 13 13 ASN CA C 13 54.525 56.593 -2.068 1
1 88 . 5 1 1 A 13 13 ASN CB C 13 38.035 38.163 -0.128 1
1 89 . 5 1 1 A 13 13 ASN N N 13 117.381 118.630 -1.249 1
1 91 . 5 1 1 A 14 14 LEU H H 14 7.948 8.163 -0.215 1
1 92 . 5 1 1 A 14 14 LEU HA H 14 4.099 3.954 0.145 1
1 102 . 5 1 1 A 14 14 LEU C C 14 177.868 178.300 -0.432 1
1 103 . 5 1 1 A 14 14 LEU CA C 14 56.861 58.799 -1.938 1
1 104 . 5 1 1 A 14 14 LEU CB C 14 42.012 41.998 0.014 1
1 108 . 5 1 1 A 14 14 LEU N N 14 121.775 121.778 -0.003 1
1 109 . 5 1 1 A 15 15 LEU H H 15 7.996 7.893 0.103 1
1 110 . 5 1 1 A 15 15 LEU HA H 15 3.705 3.903 -0.198 1
1 120 . 5 1 1 A 15 15 LEU C C 15 178.887 178.458 0.429 1
1 121 . 5 1 1 A 15 15 LEU CA C 15 58.201 57.900 0.301 1
1 122 . 5 1 1 A 15 15 LEU CB C 15 41.067 41.706 -0.639 1
1 126 . 5 1 1 A 15 15 LEU N N 15 119.072 119.571 -0.499 1
1 127 . 5 1 1 A 16 16 SER H H 16 7.968 8.089 -0.121 1
1 128 . 5 1 1 A 16 16 SER HA H 16 4.064 4.163 -0.099 1
1 131 . 5 1 1 A 16 16 SER C C 16 176.897 176.390 0.507 1
1 132 . 5 1 1 A 16 16 SER CA C 16 61.915 62.301 -0.386 1
1 133 . 5 1 1 A 16 16 SER CB C 16 62.496 62.490 0.006 1
1 134 . 5 1 1 A 16 16 SER N N 16 113.400 114.830 -1.430 1
1 135 . 5 1 1 A 17 17 LEU H H 17 7.487 8.227 -0.740 1
1 136 . 5 1 1 A 17 17 LEU HA H 17 3.980 3.880 0.100 1
1 140 . 5 1 1 A 17 17 LEU C C 17 178.547 178.656 -0.109 1
1 141 . 5 1 1 A 17 17 LEU CA C 17 58.205 58.048 0.157 1
1 142 . 5 1 1 A 17 17 LEU CB C 17 41.973 41.824 0.149 1
1 143 . 5 1 1 A 17 17 LEU N N 17 122.840 121.289 1.551 1
1 144 . 5 1 1 A 18 18 LEU H H 18 7.950 8.007 -0.057 1
1 145 . 5 1 1 A 18 18 LEU HA H 18 3.982 3.890 0.092 1
1 154 . 5 1 1 A 18 18 LEU C C 18 178.645 178.669 -0.024 1
1 155 . 5 1 1 A 18 18 LEU CA C 18 58.203 57.939 0.264 1
1 156 . 5 1 1 A 18 18 LEU CB C 18 38.932 40.787 -1.855 1
1 160 . 5 1 1 A 18 18 LEU N N 18 118.407 117.674 0.733 1
1 161 . 5 1 1 A 19 19 LYS H H 19 8.352 7.827 0.525 1
1 162 . 5 1 1 A 19 19 LYS HA H 19 4.051 4.187 -0.136 1
1 169 . 5 1 1 A 19 19 LYS C C 19 178.960 178.525 0.435 1
1 170 . 5 1 1 A 19 19 LYS CA C 19 60.537 59.889 0.648 1
1 171 . 5 1 1 A 19 19 LYS CB C 19 32.332 32.581 -0.249 1
1 175 . 5 1 1 A 19 19 LYS N N 19 118.242 119.382 -1.140 1
1 176 . 5 1 1 A 20 20 ALA H H 20 7.717 8.314 -0.597 1
1 177 . 5 1 1 A 20 20 ALA HA H 20 4.202 3.997 0.205 1
1 181 . 5 1 1 A 20 20 ALA C C 20 180.732 179.528 1.204 1
1 182 . 5 1 1 A 20 20 ALA CA C 20 54.879 55.156 -0.277 1
1 183 . 5 1 1 A 20 20 ALA CB C 20 17.608 18.408 -0.800 1
1 184 . 5 1 1 A 20 20 ALA N N 20 122.505 121.374 1.131 1
1 185 . 5 1 1 A 21 21 TYR HA H 21 4.236 4.351 -0.115 1
1 192 . 5 1 1 A 21 21 TYR C C 21 178.839 178.406 0.433 1
1 193 . 5 1 1 A 21 21 TYR CA C 21 63.047 61.393 1.654 1
1 194 . 5 1 1 A 21 21 TYR CB C 21 38.388 38.065 0.323 1
1 199 . 5 1 1 A 22 22 TYR H H 22 8.857 7.901 0.956 1
1 200 . 5 1 1 A 22 22 TYR HA H 22 4.305 4.746 -0.441 1
1 207 . 5 1 1 A 22 22 TYR C C 22 176.338 177.774 -1.436 1
1 208 . 5 1 1 A 22 22 TYR CA C 22 61.389 61.935 -0.546 1
1 209 . 5 1 1 A 22 22 TYR CB C 22 38.790 38.848 -0.058 1
1 214 . 5 1 1 A 22 22 TYR N N 22 122.639 120.657 1.982 1
1 215 . 5 1 1 A 23 23 ALA H H 23 7.762 8.693 -0.931 1
1 216 . 5 1 1 A 23 23 ALA HA H 23 4.047 3.955 0.092 1
1 220 . 5 1 1 A 23 23 ALA C C 23 179.179 179.395 -0.216 1
1 221 . 5 1 1 A 23 23 ALA CA C 23 53.906 55.077 -1.171 1
1 222 . 5 1 1 A 23 23 ALA CB C 23 18.328 18.422 -0.094 1
1 223 . 5 1 1 A 23 23 ALA N N 23 117.361 121.725 -4.364 1
1 224 . 5 1 1 A 24 24 LEU H H 24 7.267 7.684 -0.417 1
1 225 . 5 1 1 A 24 24 LEU HA H 24 4.210 4.132 0.078 1
1 235 . 5 1 1 A 24 24 LEU C C 24 177.673 176.755 0.918 1
1 236 . 5 1 1 A 24 24 LEU CA C 24 56.382 57.316 -0.934 1
1 237 . 5 1 1 A 24 24 LEU CB C 24 42.933 42.081 0.852 1
1 241 . 5 1 1 A 24 24 LEU N N 24 117.259 114.889 2.370 1
1 242 . 5 1 1 A 25 25 ASN H H 25 7.862 8.241 -0.379 1
1 243 . 5 1 1 A 25 25 ASN HA H 25 4.466 4.828 -0.362 1
1 248 . 5 1 1 A 25 25 ASN C C 25 173.036 175.860 -2.824 1
1 249 . 5 1 1 A 25 25 ASN CA C 25 53.077 52.426 0.651 1
1 250 . 5 1 1 A 25 25 ASN CB C 25 37.853 38.590 -0.737 1
1 251 . 5 1 1 A 25 25 ASN N N 25 116.521 118.513 -1.992 1
1 253 . 5 1 1 A 26 26 ALA H H 26 8.283 8.800 -0.517 1
1 254 . 5 1 1 A 26 26 ALA HA H 26 3.905 4.213 -0.308 1
1 258 . 5 1 1 A 26 26 ALA C C 26 177.212 178.178 -0.966 1
1 259 . 5 1 1 A 26 26 ALA CA C 26 53.323 54.646 -1.323 1
1 260 . 5 1 1 A 26 26 ALA CB C 26 19.548 19.645 -0.097 1
1 261 . 5 1 1 A 26 26 ALA N N 26 126.202 129.247 -3.045 1
1 262 . 5 1 1 A 27 27 GLN H H 27 7.729 8.077 -0.348 1
1 263 . 5 1 1 A 27 27 GLN HA H 27 4.619 4.783 -0.164 1
1 270 . 5 1 1 A 27 27 GLN C C 27 172.090 174.293 -2.203 1
1 271 . 5 1 1 A 27 27 GLN CA C 27 52.706 53.210 -0.504 1
1 272 . 5 1 1 A 27 27 GLN CB C 27 29.636 28.721 0.915 1
1 274 . 5 1 1 A 27 27 GLN N N 27 113.721 113.985 -0.264 1
1 276 . 5 1 1 A 28 28 PRO HA H 28 4.485 4.625 -0.140 1
1 283 . 5 1 1 A 28 28 PRO C C 28 177.018 176.258 0.760 1
1 284 . 5 1 1 A 28 28 PRO CA C 28 62.562 62.476 0.086 1
1 285 . 5 1 1 A 28 28 PRO CB C 28 31.813 32.267 -0.454 1
1 288 . 5 1 1 A 29 29 SER H H 29 9.097 8.422 0.675 1
1 289 . 5 1 1 A 29 29 SER HA H 29 4.398 4.737 -0.339 1
1 292 . 5 1 1 A 29 29 SER C C 29 174.372 175.692 -1.320 1
1 293 . 5 1 1 A 29 29 SER CA C 29 56.986 57.804 -0.818 1
1 294 . 5 1 1 A 29 29 SER CB C 29 65.661 64.519 1.142 1
1 295 . 5 1 1 A 29 29 SER N N 29 118.156 117.257 0.899 1
1 296 . 5 1 1 A 30 30 ALA H H 30 8.916 9.041 -0.125 1
1 297 . 5 1 1 A 30 30 ALA HA H 30 3.965 4.002 -0.037 1
1 301 . 5 1 1 A 30 30 ALA C C 30 180.732 179.907 0.825 1
1 302 . 5 1 1 A 30 30 ALA CA C 30 56.044 55.469 0.575 1
1 303 . 5 1 1 A 30 30 ALA CB C 30 17.925 18.442 -0.517 1
1 304 . 5 1 1 A 30 30 ALA N N 30 123.162 125.328 -2.166 1
1 305 . 5 1 1 A 31 31 GLU H H 31 8.591 8.139 0.452 1
1 306 . 5 1 1 A 31 31 GLU HA H 31 4.011 3.979 0.032 1
1 310 . 5 1 1 A 31 31 GLU C C 31 179.519 179.215 0.304 1
1 311 . 5 1 1 A 31 31 GLU CA C 31 59.788 59.478 0.310 1
1 312 . 5 1 1 A 31 31 GLU CB C 31 29.349 29.359 -0.010 1
1 314 . 5 1 1 A 31 31 GLU N N 31 118.280 117.781 0.499 1
1 315 . 5 1 1 A 32 32 GLU H H 32 7.702 7.649 0.053 1
1 316 . 5 1 1 A 32 32 GLU HA H 32 3.844 4.094 -0.250 1
1 320 . 5 1 1 A 32 32 GLU C C 32 179.446 178.968 0.478 1
1 321 . 5 1 1 A 32 32 GLU CA C 32 59.408 58.899 0.509 1
1 322 . 5 1 1 A 32 32 GLU CB C 32 29.829 29.974 -0.145 1
1 324 . 5 1 1 A 32 32 GLU N N 32 121.025 120.151 0.874 1
1 325 . 5 1 1 A 33 33 LEU H H 33 8.679 8.478 0.201 1
1 326 . 5 1 1 A 33 33 LEU HA H 33 3.645 3.758 -0.113 1
1 336 . 5 1 1 A 33 33 LEU C C 33 178.378 179.115 -0.737 1
1 337 . 5 1 1 A 33 33 LEU CA C 33 58.218 57.896 0.322 1
1 338 . 5 1 1 A 33 33 LEU CB C 33 42.339 41.516 0.823 1
1 342 . 5 1 1 A 33 33 LEU N N 33 119.993 121.023 -1.030 1
1 343 . 5 1 1 A 34 34 SER H H 34 7.727 8.017 -0.290 1
1 344 . 5 1 1 A 34 34 SER HA H 34 4.116 4.004 0.112 1
1 347 . 5 1 1 A 34 34 SER C C 34 176.484 177.372 -0.888 1
1 348 . 5 1 1 A 34 34 SER CA C 34 62.063 61.638 0.425 1
1 349 . 5 1 1 A 34 34 SER CB C 34 62.725 62.997 -0.272 1
1 350 . 5 1 1 A 34 34 SER N N 34 113.341 113.035 0.306 1
1 351 . 5 1 1 A 35 35 LYS H H 35 7.525 7.791 -0.266 1
1 352 . 5 1 1 A 35 35 LYS HA H 35 4.122 3.892 0.230 1
1 361 . 5 1 1 A 35 35 LYS C C 35 180.368 179.208 1.160 1
1 362 . 5 1 1 A 35 35 LYS CA C 35 59.502 59.406 0.096 1
1 363 . 5 1 1 A 35 35 LYS CB C 35 32.414 32.314 0.100 1
1 367 . 5 1 1 A 35 35 LYS N N 35 120.812 120.899 -0.087 1
1 368 . 5 1 1 A 36 36 ILE H H 36 8.219 7.926 0.293 1
1 369 . 5 1 1 A 36 36 ILE HA H 36 3.280 3.533 -0.253 1
1 379 . 5 1 1 A 36 36 ILE C C 36 178.159 178.117 0.042 1
1 380 . 5 1 1 A 36 36 ILE CA C 36 65.794 65.074 0.720 1
1 381 . 5 1 1 A 36 36 ILE CB C 36 38.008 37.318 0.690 1
1 385 . 5 1 1 A 36 36 ILE N N 36 122.240 120.039 2.201 1
1 386 . 5 1 1 A 37 37 ALA H H 37 8.438 7.975 0.463 1
1 387 . 5 1 1 A 37 37 ALA HA H 37 3.862 3.969 -0.107 1
1 391 . 5 1 1 A 37 37 ALA C C 37 179.276 178.830 0.446 1
1 392 . 5 1 1 A 37 37 ALA CA C 37 56.223 55.570 0.653 1
1 393 . 5 1 1 A 37 37 ALA CB C 37 17.186 18.303 -1.117 1
1 394 . 5 1 1 A 37 37 ALA N N 37 122.058 122.346 -0.288 1
1 395 . 5 1 1 A 38 38 ASP H H 38 8.072 8.194 -0.122 1
1 396 . 5 1 1 A 38 38 ASP HA H 38 4.495 4.365 0.130 1
1 399 . 5 1 1 A 38 38 ASP C C 38 178.984 177.595 1.389 1
1 400 . 5 1 1 A 38 38 ASP CA C 38 56.857 56.796 0.061 1
1 401 . 5 1 1 A 38 38 ASP CB C 38 40.813 41.399 -0.586 1
1 402 . 5 1 1 A 38 38 ASP N N 38 115.894 118.799 -2.905 1
1 403 . 5 1 1 A 39 39 SER H H 39 7.954 7.499 0.455 1
1 404 . 5 1 1 A 39 39 SER HA H 39 4.247 4.344 -0.097 1
1 406 . 5 1 1 A 39 39 SER C C 39 175.610 175.879 -0.269 1
1 407 . 5 1 1 A 39 39 SER CA C 39 61.580 61.893 -0.313 1
1 408 . 5 1 1 A 39 39 SER CB C 39 63.373 63.491 -0.118 1
1 409 . 5 1 1 A 39 39 SER N N 39 114.432 115.976 -1.544 1
1 410 . 5 1 1 A 40 40 VAL H H 40 7.850 7.254 0.596 1
1 411 . 5 1 1 A 40 40 VAL HA H 40 4.456 4.255 0.201 1
1 419 . 5 1 1 A 40 40 VAL C C 40 174.445 174.657 -0.212 1
1 420 . 5 1 1 A 40 40 VAL CA C 40 60.913 61.050 -0.137 1
1 421 . 5 1 1 A 40 40 VAL CB C 40 31.778 31.118 0.660 1
1 424 . 5 1 1 A 40 40 VAL N N 40 111.349 113.932 -2.583 1
1 425 . 5 1 1 A 41 41 ASN H H 41 7.804 7.987 -0.183 1
1 426 . 5 1 1 A 41 41 ASN HA H 41 4.348 4.313 0.035 1
1 431 . 5 1 1 A 41 41 ASN C C 41 174.008 173.757 0.251 1
1 432 . 5 1 1 A 41 41 ASN CA C 41 54.066 54.393 -0.327 1
1 433 . 5 1 1 A 41 41 ASN CB C 41 37.225 36.792 0.433 1
1 434 . 5 1 1 A 41 41 ASN N N 41 117.410 115.313 2.097 1
1 436 . 5 1 1 A 42 42 LEU H H 42 7.904 7.554 0.350 1
1 437 . 5 1 1 A 42 42 LEU HA H 42 5.001 4.798 0.203 1
1 447 . 5 1 1 A 42 42 LEU C C 42 173.886 174.201 -0.315 1
1 448 . 5 1 1 A 42 42 LEU CA C 42 51.484 51.474 0.010 1
1 449 . 5 1 1 A 42 42 LEU CB C 42 45.928 44.634 1.294 1
1 453 . 5 1 1 A 42 42 LEU N N 42 117.347 118.813 -1.466 1
1 454 . 5 1 1 A 43 43 PRO HA H 43 4.423 4.542 -0.119 1
1 461 . 5 1 1 A 43 43 PRO C C 43 178.013 176.678 1.335 1
1 462 . 5 1 1 A 43 43 PRO CA C 43 62.234 62.297 -0.063 1
1 463 . 5 1 1 A 43 43 PRO CB C 43 32.616 33.551 -0.935 1
1 466 . 5 1 1 A 44 44 LEU H H 44 8.758 8.858 -0.100 1
1 467 . 5 1 1 A 44 44 LEU HA H 44 3.780 4.159 -0.379 1
1 477 . 5 1 1 A 44 44 LEU C C 44 178.208 178.107 0.101 1
1 478 . 5 1 1 A 44 44 LEU CA C 44 58.592 56.962 1.630 1
1 479 . 5 1 1 A 44 44 LEU CB C 44 41.747 41.761 -0.014 1
1 483 . 5 1 1 A 44 44 LEU N N 44 125.847 122.367 3.480 1
1 484 . 5 1 1 A 45 45 ASP H H 45 8.822 8.076 0.746 1
1 485 . 5 1 1 A 45 45 ASP HA H 45 4.270 4.387 -0.117 1
1 488 . 5 1 1 A 45 45 ASP C C 45 178.523 178.788 -0.265 1
1 489 . 5 1 1 A 45 45 ASP CA C 45 57.621 57.111 0.510 1
1 490 . 5 1 1 A 45 45 ASP CB C 45 40.612 41.046 -0.434 1
1 491 . 5 1 1 A 45 45 ASP N N 45 114.687 119.345 -4.658 1
1 492 . 5 1 1 A 46 46 VAL H H 46 7.098 7.932 -0.834 1
1 493 . 5 1 1 A 46 46 VAL HA H 46 3.707 3.701 0.006 1
1 501 . 5 1 1 A 46 46 VAL C C 46 178.353 178.649 -0.296 1
1 502 . 5 1 1 A 46 46 VAL CA C 46 65.770 66.653 -0.883 1
1 503 . 5 1 1 A 46 46 VAL CB C 46 32.179 31.726 0.453 1
1 506 . 5 1 1 A 46 46 VAL N N 46 118.849 120.205 -1.356 1
1 507 . 5 1 1 A 47 47 VAL H H 47 7.429 7.800 -0.371 1
1 508 . 5 1 1 A 47 47 VAL HA H 47 3.633 3.696 -0.063 1
1 516 . 5 1 1 A 47 47 VAL C C 47 177.698 178.393 -0.695 1
1 517 . 5 1 1 A 47 47 VAL CA C 47 67.413 66.812 0.601 1
1 518 . 5 1 1 A 47 47 VAL CB C 47 32.258 31.572 0.686 1
1 521 . 5 1 1 A 47 47 VAL N N 47 120.616 120.606 0.010 1
1 522 . 5 1 1 A 48 48 LYS H H 48 9.110 7.752 1.358 1
1 523 . 5 1 1 A 48 48 LYS HA H 48 4.005 3.915 0.090 1
1 531 . 5 1 1 A 48 48 LYS C C 48 178.717 179.242 -0.525 1
1 532 . 5 1 1 A 48 48 LYS CA C 48 60.749 60.438 0.311 1
1 533 . 5 1 1 A 48 48 LYS CB C 48 33.140 32.491 0.649 1
1 537 . 5 1 1 A 48 48 LYS N N 48 119.748 119.356 0.392 1
1 538 . 5 1 1 A 49 49 LYS H H 49 7.901 8.004 -0.103 1
1 539 . 5 1 1 A 49 49 LYS HA H 49 4.116 4.008 0.108 1
1 547 . 5 1 1 A 49 49 LYS C C 49 178.863 178.703 0.160 1
1 548 . 5 1 1 A 49 49 LYS CA C 49 59.087 59.493 -0.406 1
1 549 . 5 1 1 A 49 49 LYS CB C 49 32.085 32.234 -0.149 1
1 553 . 5 1 1 A 49 49 LYS N N 49 117.787 119.230 -1.443 1
1 554 . 5 1 1 A 50 50 TRP H H 50 8.060 7.928 0.132 1
1 555 . 5 1 1 A 50 50 TRP HA H 50 4.089 4.200 -0.111 1
1 564 . 5 1 1 A 50 50 TRP C C 50 178.547 178.271 0.276 1
1 565 . 5 1 1 A 50 50 TRP CA C 50 62.575 60.675 1.900 1
1 566 . 5 1 1 A 50 50 TRP CB C 50 28.755 29.741 -0.986 1
1 572 . 5 1 1 A 50 50 TRP N N 50 121.102 121.628 -0.526 1
1 574 . 5 1 1 A 51 51 PHE H H 51 8.695 8.266 0.429 1
1 575 . 5 1 1 A 51 51 PHE HA H 51 3.750 4.018 -0.268 1
1 583 . 5 1 1 A 51 51 PHE C C 51 178.620 178.267 0.353 1
1 584 . 5 1 1 A 51 51 PHE CA C 51 63.542 62.021 1.521 1
1 585 . 5 1 1 A 51 51 PHE CB C 51 39.112 38.838 0.274 1
1 591 . 5 1 1 A 51 51 PHE N N 51 118.773 117.931 0.842 1
1 592 . 5 1 1 A 52 52 GLU H H 52 8.399 8.332 0.067 1
1 593 . 5 1 1 A 52 52 GLU HA H 52 4.077 3.911 0.166 1
1 598 . 5 1 1 A 52 52 GLU C C 52 179.834 179.303 0.531 1
1 599 . 5 1 1 A 52 52 GLU CA C 52 59.657 60.161 -0.504 1
1 600 . 5 1 1 A 52 52 GLU CB C 52 29.561 29.095 0.466 1
1 602 . 5 1 1 A 52 52 GLU N N 52 118.518 118.186 0.332 1
1 603 . 5 1 1 A 53 53 LYS H H 53 7.957 8.029 -0.072 1
1 604 . 5 1 1 A 53 53 LYS HA H 53 3.981 3.954 0.027 1
1 612 . 5 1 1 A 53 53 LYS C C 53 179.349 178.568 0.781 1
1 613 . 5 1 1 A 53 53 LYS CA C 53 59.087 59.038 0.049 1
1 614 . 5 1 1 A 53 53 LYS CB C 53 32.091 32.372 -0.281 1
1 618 . 5 1 1 A 53 53 LYS N N 53 120.286 120.246 0.040 1
1 619 . 5 1 1 A 54 54 MET H H 54 7.762 8.093 -0.331 1
1 620 . 5 1 1 A 54 54 MET HA H 54 3.853 3.655 0.198 1
1 626 . 5 1 1 A 54 54 MET C C 54 179.349 177.845 1.504 1
1 627 . 5 1 1 A 54 54 MET CA C 54 57.071 58.172 -1.101 1
1 628 . 5 1 1 A 54 54 MET CB C 54 31.158 30.989 0.169 1
1 631 . 5 1 1 A 54 54 MET N N 54 119.874 117.710 2.164 1
1 632 . 5 1 1 A 55 55 GLN H H 55 8.284 8.297 -0.013 1
1 633 . 5 1 1 A 55 55 GLN HA H 55 4.172 4.153 0.019 1
1 640 . 5 1 1 A 55 55 GLN C C 55 178.013 178.045 -0.032 1
1 641 . 5 1 1 A 55 55 GLN CA C 55 57.906 58.753 -0.847 1
1 642 . 5 1 1 A 55 55 GLN CB C 55 28.308 28.291 0.017 1
1 644 . 5 1 1 A 55 55 GLN N N 55 119.171 117.815 1.356 1
1 646 . 5 1 1 A 56 56 ALA H H 56 7.665 7.394 0.271 1
1 647 . 5 1 1 A 56 56 ALA HA H 56 4.289 4.305 -0.016 1
1 651 . 5 1 1 A 56 56 ALA C C 56 178.572 177.697 0.875 1
1 652 . 5 1 1 A 56 56 ALA CA C 56 53.041 52.279 0.762 1
1 653 . 5 1 1 A 56 56 ALA CB C 56 18.784 19.494 -0.710 1
1 654 . 5 1 1 A 56 56 ALA N N 56 120.252 119.151 1.101 1
1 655 . 5 1 1 A 57 57 GLY H H 57 7.802 7.612 0.190 1
1 656 . 5 1 1 A 57 57 GLY HA2 H 57 3.945 3.933 0.012 1
1 657 . 5 1 1 A 57 57 GLY HA3 H 57 3.945 3.953 -0.008 1
1 658 . 5 1 1 A 57 57 GLY C C 57 174.809 175.349 -0.540 1
1 659 . 5 1 1 A 57 57 GLY CA C 57 45.748 45.232 0.516 1
1 660 . 5 1 1 A 57 57 GLY N N 57 106.361 105.957 0.404 1
1 661 . 5 1 1 A 58 58 GLN H H 58 7.961 8.097 -0.136 1
1 662 . 5 1 1 A 58 58 GLN HA H 58 4.280 4.155 0.125 1
1 669 . 5 1 1 A 58 58 GLN C C 58 175.877 176.715 -0.838 1
1 670 . 5 1 1 A 58 58 GLN CA C 58 55.890 58.371 -2.481 1
1 671 . 5 1 1 A 58 58 GLN CB C 58 29.211 28.584 0.627 1
1 673 . 5 1 1 A 58 58 GLN N N 58 118.690 118.105 0.585 1
1 675 . 5 1 1 A 59 59 ILE H H 59 7.828 7.550 0.278 1
1 676 . 5 1 1 A 59 59 ILE HA H 59 4.178 3.959 0.219 1
1 686 . 5 1 1 A 59 59 ILE C C 59 175.950 175.013 0.937 1
1 687 . 5 1 1 A 59 59 ILE CA C 59 60.796 61.472 -0.676 1
1 688 . 5 1 1 A 59 59 ILE CB C 59 38.884 36.765 2.119 1
1 692 . 5 1 1 A 59 59 ILE N N 59 119.986 121.198 -1.212 1
1 693 . 5 1 1 A 60 60 SER H H 60 8.358 8.150 0.208 1
1 694 . 5 1 1 A 60 60 SER HA H 60 4.485 4.649 -0.164 1
1 697 . 5 1 1 A 60 60 SER C C 60 174.542 173.904 0.638 1
1 698 . 5 1 1 A 60 60 SER CA C 60 58.000 58.515 -0.515 1
1 699 . 5 1 1 A 60 60 SER CB C 60 63.869 64.039 -0.170 1
1 700 . 5 1 1 A 60 60 SER N N 60 119.848 124.331 -4.483 1
1 701 . 5 1 1 A 61 61 VAL H H 61 8.223 8.503 -0.280 1
1 702 . 5 1 1 A 61 61 VAL HA H 61 4.132 4.954 -0.822 1
1 710 . 5 1 1 A 61 61 VAL C C 61 176.023 174.194 1.829 1
1 711 . 5 1 1 A 61 61 VAL CA C 61 62.254 59.590 2.664 1
1 712 . 5 1 1 A 61 61 VAL CB C 61 32.702 35.815 -3.113 1
1 715 . 5 1 1 A 61 61 VAL N N 61 121.796 121.270 0.526 1
1 716 . 5 1 1 A 62 62 GLN H H 62 8.405 8.831 -0.426 1
1 717 . 5 1 1 A 62 62 GLN HA H 62 4.389 5.104 -0.715 1
1 724 . 5 1 1 A 62 62 GLN C C 62 175.901 173.996 1.905 1
1 725 . 5 1 1 A 62 62 GLN CA C 62 55.792 54.896 0.896 1
1 726 . 5 1 1 A 62 62 GLN CB C 62 29.530 32.034 -2.504 1
1 728 . 5 1 1 A 62 62 GLN N N 62 123.728 123.175 0.553 1
1 730 . 5 1 1 A 63 63 SER H H 63 8.396 8.577 -0.181 1
1 731 . 5 1 1 A 63 63 SER HA H 63 4.482 5.272 -0.790 1
1 734 . 5 1 1 A 63 63 SER C C 63 173.668 172.190 1.478 1
1 735 . 5 1 1 A 63 63 SER CA C 63 58.445 57.158 1.287 1
1 736 . 5 1 1 A 63 63 SER CB C 63 63.964 66.204 -2.240 1
1 737 . 5 1 1 A 63 63 SER N N 63 118.100 114.870 3.230 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.502 4.408 0.094 1
1 4 . 6 1 1 A 6 6 SER C C 6 175.076 175.670 -0.594 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.733 59.898 -1.165 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.809 63.084 0.725 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.416 8.920 -0.504 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.966 3.982 -0.016 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.966 3.983 -0.017 1
1 10 . 6 1 1 A 7 7 GLY C C 7 173.813 174.279 -0.466 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.226 45.531 -0.305 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.646 113.339 -2.693 1
1 13 . 6 1 1 A 8 8 GLN H H 8 8.187 7.616 0.571 1
1 14 . 6 1 1 A 8 8 GLN HA H 8 4.656 4.636 0.020 1
1 21 . 6 1 1 A 8 8 GLN C C 8 173.741 173.875 -0.134 1
1 22 . 6 1 1 A 8 8 GLN CA C 8 53.677 53.004 0.673 1
1 23 . 6 1 1 A 8 8 GLN CB C 8 29.079 29.229 -0.150 1
1 25 . 6 1 1 A 8 8 GLN N N 8 120.767 120.752 0.015 1
1 27 . 6 1 1 A 9 9 PRO HA H 9 4.723 4.714 0.009 1
1 34 . 6 1 1 A 9 9 PRO CB C 9 27.766 31.281 -3.515 1
1 37 . 6 1 1 A 10 10 PRO HA H 10 4.444 4.526 -0.082 1
1 43 . 6 1 1 A 10 10 PRO C C 10 177.309 176.613 0.696 1
1 44 . 6 1 1 A 10 10 PRO CA C 10 63.083 62.118 0.965 1
1 45 . 6 1 1 A 10 10 PRO CB C 10 31.881 32.992 -1.111 1
1 48 . 6 1 1 A 11 11 LEU H H 11 8.323 8.301 0.022 1
1 49 . 6 1 1 A 11 11 LEU HA H 11 4.105 4.523 -0.418 1
1 59 . 6 1 1 A 11 11 LEU C C 11 178.232 178.006 0.226 1
1 60 . 6 1 1 A 11 11 LEU CA C 11 56.572 53.743 2.829 1
1 61 . 6 1 1 A 11 11 LEU CB C 11 42.000 43.489 -1.489 1
1 64 . 6 1 1 A 11 11 LEU N N 11 122.449 119.893 2.556 1
1 65 . 6 1 1 A 12 12 LYS H H 12 8.319 8.719 -0.400 1
1 66 . 6 1 1 A 12 12 LYS HA H 12 3.986 4.070 -0.084 1
1 73 . 6 1 1 A 12 12 LYS C C 12 177.722 178.184 -0.462 1
1 74 . 6 1 1 A 12 12 LYS CA C 12 58.842 59.063 -0.221 1
1 75 . 6 1 1 A 12 12 LYS CB C 12 32.388 31.962 0.426 1
1 79 . 6 1 1 A 12 12 LYS N N 12 118.575 119.500 -0.925 1
1 80 . 6 1 1 A 13 13 ASN H H 13 8.076 8.227 -0.151 1
1 81 . 6 1 1 A 13 13 ASN HA H 13 4.597 4.621 -0.024 1
1 86 . 6 1 1 A 13 13 ASN C C 13 176.702 178.023 -1.321 1
1 87 . 6 1 1 A 13 13 ASN CA C 13 54.525 56.592 -2.067 1
1 88 . 6 1 1 A 13 13 ASN CB C 13 38.035 38.204 -0.169 1
1 89 . 6 1 1 A 13 13 ASN N N 13 117.381 118.475 -1.094 1
1 91 . 6 1 1 A 14 14 LEU H H 14 7.948 7.981 -0.033 1
1 92 . 6 1 1 A 14 14 LEU HA H 14 4.099 3.940 0.159 1
1 102 . 6 1 1 A 14 14 LEU C C 14 177.868 178.331 -0.463 1
1 103 . 6 1 1 A 14 14 LEU CA C 14 56.861 58.634 -1.773 1
1 104 . 6 1 1 A 14 14 LEU CB C 14 42.012 41.947 0.065 1
1 108 . 6 1 1 A 14 14 LEU N N 14 121.775 121.506 0.269 1
1 109 . 6 1 1 A 15 15 LEU H H 15 7.996 8.059 -0.063 1
1 110 . 6 1 1 A 15 15 LEU HA H 15 3.705 3.658 0.047 1
1 120 . 6 1 1 A 15 15 LEU C C 15 178.887 178.419 0.468 1
1 121 . 6 1 1 A 15 15 LEU CA C 15 58.201 57.816 0.385 1
1 122 . 6 1 1 A 15 15 LEU CB C 15 41.067 41.622 -0.555 1
1 126 . 6 1 1 A 15 15 LEU N N 15 119.072 117.599 1.473 1
1 127 . 6 1 1 A 16 16 SER H H 16 7.968 8.396 -0.428 1
1 128 . 6 1 1 A 16 16 SER HA H 16 4.064 4.181 -0.117 1
1 131 . 6 1 1 A 16 16 SER C C 16 176.897 177.662 -0.765 1
1 132 . 6 1 1 A 16 16 SER CA C 16 61.915 61.584 0.331 1
1 133 . 6 1 1 A 16 16 SER CB C 16 62.496 62.349 0.147 1
1 134 . 6 1 1 A 16 16 SER N N 16 113.400 113.410 -0.010 1
1 135 . 6 1 1 A 17 17 LEU H H 17 7.487 8.267 -0.780 1
1 136 . 6 1 1 A 17 17 LEU HA H 17 3.980 4.015 -0.035 1
1 140 . 6 1 1 A 17 17 LEU C C 17 178.547 180.039 -1.492 1
1 141 . 6 1 1 A 17 17 LEU CA C 17 58.205 57.487 0.718 1
1 142 . 6 1 1 A 17 17 LEU CB C 17 41.973 41.252 0.721 1
1 143 . 6 1 1 A 17 17 LEU N N 17 122.840 122.453 0.387 1
1 144 . 6 1 1 A 18 18 LEU H H 18 7.950 7.539 0.411 1
1 145 . 6 1 1 A 18 18 LEU HA H 18 3.982 4.120 -0.138 1
1 154 . 6 1 1 A 18 18 LEU C C 18 178.645 178.791 -0.146 1
1 155 . 6 1 1 A 18 18 LEU CA C 18 58.203 57.739 0.464 1
1 156 . 6 1 1 A 18 18 LEU CB C 18 38.932 40.792 -1.860 1
1 160 . 6 1 1 A 18 18 LEU N N 18 118.407 120.396 -1.989 1
1 161 . 6 1 1 A 19 19 LYS H H 19 8.352 8.067 0.285 1
1 162 . 6 1 1 A 19 19 LYS HA H 19 4.051 4.012 0.039 1
1 169 . 6 1 1 A 19 19 LYS C C 19 178.960 179.293 -0.333 1
1 170 . 6 1 1 A 19 19 LYS CA C 19 60.537 59.509 1.028 1
1 171 . 6 1 1 A 19 19 LYS CB C 19 32.332 32.137 0.195 1
1 175 . 6 1 1 A 19 19 LYS N N 19 118.242 118.269 -0.027 1
1 176 . 6 1 1 A 20 20 ALA H H 20 7.717 8.122 -0.405 1
1 177 . 6 1 1 A 20 20 ALA HA H 20 4.202 4.047 0.155 1
1 181 . 6 1 1 A 20 20 ALA C C 20 180.732 178.950 1.782 1
1 182 . 6 1 1 A 20 20 ALA CA C 20 54.879 55.010 -0.131 1
1 183 . 6 1 1 A 20 20 ALA CB C 20 17.608 18.358 -0.750 1
1 184 . 6 1 1 A 20 20 ALA N N 20 122.505 121.337 1.168 1
1 185 . 6 1 1 A 21 21 TYR HA H 21 4.236 4.448 -0.212 1
1 192 . 6 1 1 A 21 21 TYR C C 21 178.839 178.233 0.606 1
1 193 . 6 1 1 A 21 21 TYR CA C 21 63.047 61.108 1.939 1
1 194 . 6 1 1 A 21 21 TYR CB C 21 38.388 38.631 -0.243 1
1 199 . 6 1 1 A 22 22 TYR H H 22 8.857 7.987 0.870 1
1 200 . 6 1 1 A 22 22 TYR HA H 22 4.305 4.842 -0.537 1
1 207 . 6 1 1 A 22 22 TYR C C 22 176.338 177.251 -0.913 1
1 208 . 6 1 1 A 22 22 TYR CA C 22 61.389 62.154 -0.765 1
1 209 . 6 1 1 A 22 22 TYR CB C 22 38.790 38.997 -0.207 1
1 214 . 6 1 1 A 22 22 TYR N N 22 122.639 119.958 2.681 1
1 215 . 6 1 1 A 23 23 ALA H H 23 7.762 8.790 -1.028 1
1 216 . 6 1 1 A 23 23 ALA HA H 23 4.047 3.976 0.071 1
1 220 . 6 1 1 A 23 23 ALA C C 23 179.179 179.556 -0.377 1
1 221 . 6 1 1 A 23 23 ALA CA C 23 53.906 55.372 -1.466 1
1 222 . 6 1 1 A 23 23 ALA CB C 23 18.328 18.660 -0.332 1
1 223 . 6 1 1 A 23 23 ALA N N 23 117.361 121.473 -4.112 1
1 224 . 6 1 1 A 24 24 LEU H H 24 7.267 7.556 -0.289 1
1 225 . 6 1 1 A 24 24 LEU HA H 24 4.210 4.054 0.156 1
1 235 . 6 1 1 A 24 24 LEU C C 24 177.673 176.543 1.130 1
1 236 . 6 1 1 A 24 24 LEU CA C 24 56.382 57.541 -1.159 1
1 237 . 6 1 1 A 24 24 LEU CB C 24 42.933 41.726 1.207 1
1 241 . 6 1 1 A 24 24 LEU N N 24 117.259 114.453 2.806 1
1 242 . 6 1 1 A 25 25 ASN H H 25 7.862 8.359 -0.497 1
1 243 . 6 1 1 A 25 25 ASN HA H 25 4.466 4.798 -0.332 1
1 248 . 6 1 1 A 25 25 ASN C C 25 173.036 175.725 -2.689 1
1 249 . 6 1 1 A 25 25 ASN CA C 25 53.077 51.968 1.109 1
1 250 . 6 1 1 A 25 25 ASN CB C 25 37.853 38.017 -0.164 1
1 251 . 6 1 1 A 25 25 ASN N N 25 116.521 118.612 -2.091 1
1 253 . 6 1 1 A 26 26 ALA H H 26 8.283 8.640 -0.357 1
1 254 . 6 1 1 A 26 26 ALA HA H 26 3.905 4.055 -0.150 1
1 258 . 6 1 1 A 26 26 ALA C C 26 177.212 177.963 -0.751 1
1 259 . 6 1 1 A 26 26 ALA CA C 26 53.323 54.952 -1.629 1
1 260 . 6 1 1 A 26 26 ALA CB C 26 19.548 19.232 0.316 1
1 261 . 6 1 1 A 26 26 ALA N N 26 126.202 128.433 -2.231 1
1 262 . 6 1 1 A 27 27 GLN H H 27 7.729 7.988 -0.259 1
1 263 . 6 1 1 A 27 27 GLN HA H 27 4.619 4.674 -0.055 1
1 270 . 6 1 1 A 27 27 GLN C C 27 172.090 174.076 -1.986 1
1 271 . 6 1 1 A 27 27 GLN CA C 27 52.706 53.123 -0.417 1
1 272 . 6 1 1 A 27 27 GLN CB C 27 29.636 28.635 1.001 1
1 274 . 6 1 1 A 27 27 GLN N N 27 113.721 113.873 -0.152 1
1 276 . 6 1 1 A 28 28 PRO HA H 28 4.485 4.532 -0.047 1
1 283 . 6 1 1 A 28 28 PRO C C 28 177.018 176.652 0.366 1
1 284 . 6 1 1 A 28 28 PRO CA C 28 62.562 62.604 -0.042 1
1 285 . 6 1 1 A 28 28 PRO CB C 28 31.813 31.799 0.014 1
1 288 . 6 1 1 A 29 29 SER H H 29 9.097 8.276 0.821 1
1 289 . 6 1 1 A 29 29 SER HA H 29 4.398 4.568 -0.170 1
1 292 . 6 1 1 A 29 29 SER C C 29 174.372 175.580 -1.208 1
1 293 . 6 1 1 A 29 29 SER CA C 29 56.986 56.709 0.277 1
1 294 . 6 1 1 A 29 29 SER CB C 29 65.661 65.854 -0.193 1
1 295 . 6 1 1 A 29 29 SER N N 29 118.156 114.924 3.232 1
1 296 . 6 1 1 A 30 30 ALA H H 30 8.916 8.916 0.000 1
1 297 . 6 1 1 A 30 30 ALA HA H 30 3.965 3.983 -0.018 1
1 301 . 6 1 1 A 30 30 ALA C C 30 180.732 180.047 0.685 1
1 302 . 6 1 1 A 30 30 ALA CA C 30 56.044 55.480 0.564 1
1 303 . 6 1 1 A 30 30 ALA CB C 30 17.925 18.207 -0.282 1
1 304 . 6 1 1 A 30 30 ALA N N 30 123.162 123.367 -0.205 1
1 305 . 6 1 1 A 31 31 GLU H H 31 8.591 8.100 0.491 1
1 306 . 6 1 1 A 31 31 GLU HA H 31 4.011 3.975 0.036 1
1 310 . 6 1 1 A 31 31 GLU C C 31 179.519 179.509 0.010 1
1 311 . 6 1 1 A 31 31 GLU CA C 31 59.788 59.640 0.148 1
1 312 . 6 1 1 A 31 31 GLU CB C 31 29.349 29.322 0.027 1
1 314 . 6 1 1 A 31 31 GLU N N 31 118.280 118.267 0.013 1
1 315 . 6 1 1 A 32 32 GLU H H 32 7.702 7.845 -0.143 1
1 316 . 6 1 1 A 32 32 GLU HA H 32 3.844 4.065 -0.221 1
1 320 . 6 1 1 A 32 32 GLU C C 32 179.446 179.267 0.179 1
1 321 . 6 1 1 A 32 32 GLU CA C 32 59.408 58.937 0.471 1
1 322 . 6 1 1 A 32 32 GLU CB C 32 29.829 29.902 -0.073 1
1 324 . 6 1 1 A 32 32 GLU N N 32 121.025 120.473 0.552 1
1 325 . 6 1 1 A 33 33 LEU H H 33 8.679 8.444 0.235 1
1 326 . 6 1 1 A 33 33 LEU HA H 33 3.645 3.876 -0.231 1
1 336 . 6 1 1 A 33 33 LEU C C 33 178.378 178.725 -0.347 1
1 337 . 6 1 1 A 33 33 LEU CA C 33 58.218 57.623 0.595 1
1 338 . 6 1 1 A 33 33 LEU CB C 33 42.339 41.970 0.369 1
1 342 . 6 1 1 A 33 33 LEU N N 33 119.993 121.030 -1.037 1
1 343 . 6 1 1 A 34 34 SER H H 34 7.727 8.444 -0.717 1
1 344 . 6 1 1 A 34 34 SER HA H 34 4.116 4.031 0.085 1
1 347 . 6 1 1 A 34 34 SER C C 34 176.484 177.114 -0.630 1
1 348 . 6 1 1 A 34 34 SER CA C 34 62.063 61.659 0.404 1
1 349 . 6 1 1 A 34 34 SER CB C 34 62.725 62.936 -0.211 1
1 350 . 6 1 1 A 34 34 SER N N 34 113.341 113.167 0.174 1
1 351 . 6 1 1 A 35 35 LYS H H 35 7.525 7.840 -0.315 1
1 352 . 6 1 1 A 35 35 LYS HA H 35 4.122 3.912 0.210 1
1 361 . 6 1 1 A 35 35 LYS C C 35 180.368 178.481 1.887 1
1 362 . 6 1 1 A 35 35 LYS CA C 35 59.502 59.770 -0.268 1
1 363 . 6 1 1 A 35 35 LYS CB C 35 32.414 32.345 0.069 1
1 367 . 6 1 1 A 35 35 LYS N N 35 120.812 121.156 -0.344 1
1 368 . 6 1 1 A 36 36 ILE H H 36 8.219 7.917 0.302 1
1 369 . 6 1 1 A 36 36 ILE HA H 36 3.280 3.413 -0.133 1
1 379 . 6 1 1 A 36 36 ILE C C 36 178.159 178.042 0.117 1
1 380 . 6 1 1 A 36 36 ILE CA C 36 65.794 64.969 0.825 1
1 381 . 6 1 1 A 36 36 ILE CB C 36 38.008 37.291 0.717 1
1 385 . 6 1 1 A 36 36 ILE N N 36 122.240 119.811 2.429 1
1 386 . 6 1 1 A 37 37 ALA H H 37 8.438 8.239 0.199 1
1 387 . 6 1 1 A 37 37 ALA HA H 37 3.862 3.990 -0.128 1
1 391 . 6 1 1 A 37 37 ALA C C 37 179.276 179.471 -0.195 1
1 392 . 6 1 1 A 37 37 ALA CA C 37 56.223 55.381 0.842 1
1 393 . 6 1 1 A 37 37 ALA CB C 37 17.186 17.684 -0.498 1
1 394 . 6 1 1 A 37 37 ALA N N 37 122.058 121.622 0.436 1
1 395 . 6 1 1 A 38 38 ASP H H 38 8.072 8.484 -0.412 1
1 396 . 6 1 1 A 38 38 ASP HA H 38 4.495 4.432 0.063 1
1 399 . 6 1 1 A 38 38 ASP C C 38 178.984 178.202 0.782 1
1 400 . 6 1 1 A 38 38 ASP CA C 38 56.857 56.676 0.181 1
1 401 . 6 1 1 A 38 38 ASP CB C 38 40.813 41.359 -0.546 1
1 402 . 6 1 1 A 38 38 ASP N N 38 115.894 118.095 -2.201 1
1 403 . 6 1 1 A 39 39 SER H H 39 7.954 7.563 0.391 1
1 404 . 6 1 1 A 39 39 SER HA H 39 4.247 4.337 -0.090 1
1 406 . 6 1 1 A 39 39 SER C C 39 175.610 176.189 -0.579 1
1 407 . 6 1 1 A 39 39 SER CA C 39 61.580 61.231 0.349 1
1 408 . 6 1 1 A 39 39 SER CB C 39 63.373 62.938 0.435 1
1 409 . 6 1 1 A 39 39 SER N N 39 114.432 114.526 -0.094 1
1 410 . 6 1 1 A 40 40 VAL H H 40 7.850 7.150 0.700 1
1 411 . 6 1 1 A 40 40 VAL HA H 40 4.456 4.258 0.198 1
1 419 . 6 1 1 A 40 40 VAL C C 40 174.445 176.057 -1.612 1
1 420 . 6 1 1 A 40 40 VAL CA C 40 60.913 61.096 -0.183 1
1 421 . 6 1 1 A 40 40 VAL CB C 40 31.778 31.139 0.639 1
1 424 . 6 1 1 A 40 40 VAL N N 40 111.349 113.573 -2.224 1
1 425 . 6 1 1 A 41 41 ASN H H 41 7.804 8.084 -0.280 1
1 426 . 6 1 1 A 41 41 ASN HA H 41 4.348 4.324 0.024 1
1 431 . 6 1 1 A 41 41 ASN C C 41 174.008 173.657 0.351 1
1 432 . 6 1 1 A 41 41 ASN CA C 41 54.066 54.131 -0.065 1
1 433 . 6 1 1 A 41 41 ASN CB C 41 37.225 37.577 -0.352 1
1 434 . 6 1 1 A 41 41 ASN N N 41 117.410 119.252 -1.842 1
1 436 . 6 1 1 A 42 42 LEU H H 42 7.904 7.901 0.003 1
1 437 . 6 1 1 A 42 42 LEU HA H 42 5.001 4.772 0.229 1
1 447 . 6 1 1 A 42 42 LEU C C 42 173.886 174.155 -0.269 1
1 448 . 6 1 1 A 42 42 LEU CA C 42 51.484 51.423 0.061 1
1 449 . 6 1 1 A 42 42 LEU CB C 42 45.928 44.398 1.530 1
1 453 . 6 1 1 A 42 42 LEU N N 42 117.347 118.833 -1.486 1
1 454 . 6 1 1 A 43 43 PRO HA H 43 4.423 4.543 -0.120 1
1 461 . 6 1 1 A 43 43 PRO C C 43 178.013 176.736 1.277 1
1 462 . 6 1 1 A 43 43 PRO CA C 43 62.234 62.272 -0.038 1
1 463 . 6 1 1 A 43 43 PRO CB C 43 32.616 33.588 -0.972 1
1 466 . 6 1 1 A 44 44 LEU H H 44 8.758 8.867 -0.109 1
1 467 . 6 1 1 A 44 44 LEU HA H 44 3.780 4.205 -0.425 1
1 477 . 6 1 1 A 44 44 LEU C C 44 178.208 178.203 0.005 1
1 478 . 6 1 1 A 44 44 LEU CA C 44 58.592 57.057 1.535 1
1 479 . 6 1 1 A 44 44 LEU CB C 44 41.747 41.781 -0.034 1
1 483 . 6 1 1 A 44 44 LEU N N 44 125.847 122.280 3.567 1
1 484 . 6 1 1 A 45 45 ASP H H 45 8.822 8.130 0.692 1
1 485 . 6 1 1 A 45 45 ASP HA H 45 4.270 4.386 -0.116 1
1 488 . 6 1 1 A 45 45 ASP C C 45 178.523 178.817 -0.294 1
1 489 . 6 1 1 A 45 45 ASP CA C 45 57.621 56.982 0.639 1
1 490 . 6 1 1 A 45 45 ASP CB C 45 40.612 40.696 -0.084 1
1 491 . 6 1 1 A 45 45 ASP N N 45 114.687 119.731 -5.044 1
1 492 . 6 1 1 A 46 46 VAL H H 46 7.098 7.989 -0.891 1
1 493 . 6 1 1 A 46 46 VAL HA H 46 3.707 3.642 0.065 1
1 501 . 6 1 1 A 46 46 VAL C C 46 178.353 178.520 -0.167 1
1 502 . 6 1 1 A 46 46 VAL CA C 46 65.770 66.268 -0.498 1
1 503 . 6 1 1 A 46 46 VAL CB C 46 32.179 31.485 0.694 1
1 506 . 6 1 1 A 46 46 VAL N N 46 118.849 119.077 -0.228 1
1 507 . 6 1 1 A 47 47 VAL H H 47 7.429 7.655 -0.226 1
1 508 . 6 1 1 A 47 47 VAL HA H 47 3.633 3.632 0.001 1
1 516 . 6 1 1 A 47 47 VAL C C 47 177.698 178.339 -0.641 1
1 517 . 6 1 1 A 47 47 VAL CA C 47 67.413 66.823 0.590 1
1 518 . 6 1 1 A 47 47 VAL CB C 47 32.258 31.775 0.483 1
1 521 . 6 1 1 A 47 47 VAL N N 47 120.616 120.604 0.012 1
1 522 . 6 1 1 A 48 48 LYS H H 48 9.110 7.986 1.124 1
1 523 . 6 1 1 A 48 48 LYS HA H 48 4.005 4.083 -0.078 1
1 531 . 6 1 1 A 48 48 LYS C C 48 178.717 179.092 -0.375 1
1 532 . 6 1 1 A 48 48 LYS CA C 48 60.749 60.483 0.266 1
1 533 . 6 1 1 A 48 48 LYS CB C 48 33.140 32.303 0.837 1
1 537 . 6 1 1 A 48 48 LYS N N 48 119.748 119.351 0.397 1
1 538 . 6 1 1 A 49 49 LYS H H 49 7.901 7.993 -0.092 1
1 539 . 6 1 1 A 49 49 LYS HA H 49 4.116 4.009 0.107 1
1 547 . 6 1 1 A 49 49 LYS C C 49 178.863 178.680 0.183 1
1 548 . 6 1 1 A 49 49 LYS CA C 49 59.087 59.413 -0.326 1
1 549 . 6 1 1 A 49 49 LYS CB C 49 32.085 32.199 -0.114 1
1 553 . 6 1 1 A 49 49 LYS N N 49 117.787 119.536 -1.749 1
1 554 . 6 1 1 A 50 50 TRP H H 50 8.060 7.719 0.341 1
1 555 . 6 1 1 A 50 50 TRP HA H 50 4.089 4.172 -0.083 1
1 564 . 6 1 1 A 50 50 TRP C C 50 178.547 178.098 0.449 1
1 565 . 6 1 1 A 50 50 TRP CA C 50 62.575 60.602 1.973 1
1 566 . 6 1 1 A 50 50 TRP CB C 50 28.755 29.587 -0.832 1
1 572 . 6 1 1 A 50 50 TRP N N 50 121.102 121.379 -0.277 1
1 574 . 6 1 1 A 51 51 PHE H H 51 8.695 8.119 0.576 1
1 575 . 6 1 1 A 51 51 PHE HA H 51 3.750 4.056 -0.306 1
1 583 . 6 1 1 A 51 51 PHE C C 51 178.620 178.280 0.340 1
1 584 . 6 1 1 A 51 51 PHE CA C 51 63.542 62.108 1.434 1
1 585 . 6 1 1 A 51 51 PHE CB C 51 39.112 38.870 0.242 1
1 591 . 6 1 1 A 51 51 PHE N N 51 118.773 118.111 0.662 1
1 592 . 6 1 1 A 52 52 GLU H H 52 8.399 8.447 -0.048 1
1 593 . 6 1 1 A 52 52 GLU HA H 52 4.077 3.890 0.187 1
1 598 . 6 1 1 A 52 52 GLU C C 52 179.834 179.365 0.469 1
1 599 . 6 1 1 A 52 52 GLU CA C 52 59.657 60.132 -0.475 1
1 600 . 6 1 1 A 52 52 GLU CB C 52 29.561 29.060 0.501 1
1 602 . 6 1 1 A 52 52 GLU N N 52 118.518 118.218 0.300 1
1 603 . 6 1 1 A 53 53 LYS H H 53 7.957 7.946 0.011 1
1 604 . 6 1 1 A 53 53 LYS HA H 53 3.981 3.918 0.063 1
1 612 . 6 1 1 A 53 53 LYS C C 53 179.349 178.666 0.683 1
1 613 . 6 1 1 A 53 53 LYS CA C 53 59.087 59.025 0.062 1
1 614 . 6 1 1 A 53 53 LYS CB C 53 32.091 32.171 -0.080 1
1 618 . 6 1 1 A 53 53 LYS N N 53 120.286 120.207 0.079 1
1 619 . 6 1 1 A 54 54 MET H H 54 7.762 8.068 -0.306 1
1 620 . 6 1 1 A 54 54 MET HA H 54 3.853 3.714 0.139 1
1 626 . 6 1 1 A 54 54 MET C C 54 179.349 177.891 1.458 1
1 627 . 6 1 1 A 54 54 MET CA C 54 57.071 57.972 -0.901 1
1 628 . 6 1 1 A 54 54 MET CB C 54 31.158 31.333 -0.175 1
1 631 . 6 1 1 A 54 54 MET N N 54 119.874 118.384 1.490 1
1 632 . 6 1 1 A 55 55 GLN H H 55 8.284 8.157 0.127 1
1 633 . 6 1 1 A 55 55 GLN HA H 55 4.172 4.156 0.016 1
1 640 . 6 1 1 A 55 55 GLN C C 55 178.013 177.845 0.168 1
1 641 . 6 1 1 A 55 55 GLN CA C 55 57.906 58.820 -0.914 1
1 642 . 6 1 1 A 55 55 GLN CB C 55 28.308 28.155 0.153 1
1 644 . 6 1 1 A 55 55 GLN N N 55 119.171 117.893 1.278 1
1 646 . 6 1 1 A 56 56 ALA H H 56 7.665 7.006 0.659 1
1 647 . 6 1 1 A 56 56 ALA HA H 56 4.289 4.293 -0.004 1
1 651 . 6 1 1 A 56 56 ALA C C 56 178.572 177.769 0.803 1
1 652 . 6 1 1 A 56 56 ALA CA C 56 53.041 52.313 0.728 1
1 653 . 6 1 1 A 56 56 ALA CB C 56 18.784 19.645 -0.861 1
1 654 . 6 1 1 A 56 56 ALA N N 56 120.252 119.256 0.996 1
1 655 . 6 1 1 A 57 57 GLY H H 57 7.802 7.711 0.091 1
1 656 . 6 1 1 A 57 57 GLY HA2 H 57 3.945 3.912 0.033 1
1 657 . 6 1 1 A 57 57 GLY HA3 H 57 3.945 3.933 0.012 1
1 658 . 6 1 1 A 57 57 GLY C C 57 174.809 175.259 -0.450 1
1 659 . 6 1 1 A 57 57 GLY CA C 57 45.748 45.300 0.448 1
1 660 . 6 1 1 A 57 57 GLY N N 57 106.361 105.975 0.386 1
1 661 . 6 1 1 A 58 58 GLN H H 58 7.961 8.490 -0.529 1
1 662 . 6 1 1 A 58 58 GLN HA H 58 4.280 4.171 0.109 1
1 669 . 6 1 1 A 58 58 GLN C C 58 175.877 176.648 -0.771 1
1 670 . 6 1 1 A 58 58 GLN CA C 58 55.890 58.099 -2.209 1
1 671 . 6 1 1 A 58 58 GLN CB C 58 29.211 28.917 0.294 1
1 673 . 6 1 1 A 58 58 GLN N N 58 118.690 117.636 1.054 1
1 675 . 6 1 1 A 59 59 ILE H H 59 7.828 7.281 0.547 1
1 676 . 6 1 1 A 59 59 ILE HA H 59 4.178 3.876 0.302 1
1 686 . 6 1 1 A 59 59 ILE C C 59 175.950 175.407 0.543 1
1 687 . 6 1 1 A 59 59 ILE CA C 59 60.796 62.438 -1.642 1
1 688 . 6 1 1 A 59 59 ILE CB C 59 38.884 37.767 1.117 1
1 692 . 6 1 1 A 59 59 ILE N N 59 119.986 121.722 -1.736 1
1 693 . 6 1 1 A 60 60 SER H H 60 8.358 9.174 -0.816 1
1 694 . 6 1 1 A 60 60 SER HA H 60 4.485 5.141 -0.656 1
1 697 . 6 1 1 A 60 60 SER C C 60 174.542 173.867 0.675 1
1 698 . 6 1 1 A 60 60 SER CA C 60 58.000 57.708 0.292 1
1 699 . 6 1 1 A 60 60 SER CB C 60 63.869 64.685 -0.816 1
1 700 . 6 1 1 A 60 60 SER N N 60 119.848 125.770 -5.922 1
1 701 . 6 1 1 A 61 61 VAL H H 61 8.223 9.021 -0.798 1
1 702 . 6 1 1 A 61 61 VAL HA H 61 4.132 4.423 -0.291 1
1 710 . 6 1 1 A 61 61 VAL C C 61 176.023 176.341 -0.318 1
1 711 . 6 1 1 A 61 61 VAL CA C 61 62.254 61.428 0.826 1
1 712 . 6 1 1 A 61 61 VAL CB C 61 32.702 33.318 -0.616 1
1 715 . 6 1 1 A 61 61 VAL N N 61 121.796 126.313 -4.517 1
1 716 . 6 1 1 A 62 62 GLN H H 62 8.405 8.963 -0.558 1
1 717 . 6 1 1 A 62 62 GLN HA H 62 4.389 4.010 0.379 1
1 724 . 6 1 1 A 62 62 GLN C C 62 175.901 175.215 0.686 1
1 725 . 6 1 1 A 62 62 GLN CA C 62 55.792 58.778 -2.986 1
1 726 . 6 1 1 A 62 62 GLN CB C 62 29.530 29.150 0.380 1
1 728 . 6 1 1 A 62 62 GLN N N 62 123.728 129.117 -5.389 1
1 730 . 6 1 1 A 63 63 SER H H 63 8.396 7.752 0.644 1
1 731 . 6 1 1 A 63 63 SER HA H 63 4.482 4.793 -0.311 1
1 734 . 6 1 1 A 63 63 SER C C 63 173.668 173.985 -0.317 1
1 735 . 6 1 1 A 63 63 SER CA C 63 58.445 56.321 2.124 1
1 736 . 6 1 1 A 63 63 SER CB C 63 63.964 65.337 -1.373 1
1 737 . 6 1 1 A 63 63 SER N N 63 118.100 113.990 4.110 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.502 5.243 -0.741 1
1 4 . 7 1 1 A 6 6 SER C C 6 175.076 173.165 1.911 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.733 56.959 1.774 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.809 65.931 -2.122 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.416 8.135 0.281 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.966 4.032 -0.066 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.966 4.032 -0.066 1
1 10 . 7 1 1 A 7 7 GLY C C 7 173.813 174.868 -1.055 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.226 45.727 -0.501 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.646 111.330 -0.684 1
1 13 . 7 1 1 A 8 8 GLN H H 8 8.187 7.899 0.288 1
1 14 . 7 1 1 A 8 8 GLN HA H 8 4.656 4.733 -0.077 1
1 21 . 7 1 1 A 8 8 GLN C C 8 173.741 173.786 -0.045 1
1 22 . 7 1 1 A 8 8 GLN CA C 8 53.677 52.913 0.764 1
1 23 . 7 1 1 A 8 8 GLN CB C 8 29.079 28.895 0.184 1
1 25 . 7 1 1 A 8 8 GLN N N 8 120.767 120.675 0.092 1
1 27 . 7 1 1 A 9 9 PRO HA H 9 4.723 4.695 0.028 1
1 34 . 7 1 1 A 9 9 PRO CB C 9 27.766 31.233 -3.467 1
1 37 . 7 1 1 A 10 10 PRO HA H 10 4.444 4.569 -0.125 1
1 43 . 7 1 1 A 10 10 PRO C C 10 177.309 176.483 0.826 1
1 44 . 7 1 1 A 10 10 PRO CA C 10 63.083 62.139 0.944 1
1 45 . 7 1 1 A 10 10 PRO CB C 10 31.881 33.141 -1.260 1
1 48 . 7 1 1 A 11 11 LEU H H 11 8.323 8.259 0.064 1
1 49 . 7 1 1 A 11 11 LEU HA H 11 4.105 4.263 -0.158 1
1 59 . 7 1 1 A 11 11 LEU C C 11 178.232 178.080 0.152 1
1 60 . 7 1 1 A 11 11 LEU CA C 11 56.572 55.925 0.647 1
1 61 . 7 1 1 A 11 11 LEU CB C 11 42.000 42.847 -0.847 1
1 64 . 7 1 1 A 11 11 LEU N N 11 122.449 122.707 -0.258 1
1 65 . 7 1 1 A 12 12 LYS H H 12 8.319 8.566 -0.247 1
1 66 . 7 1 1 A 12 12 LYS HA H 12 3.986 4.047 -0.061 1
1 73 . 7 1 1 A 12 12 LYS C C 12 177.722 178.237 -0.515 1
1 74 . 7 1 1 A 12 12 LYS CA C 12 58.842 59.185 -0.343 1
1 75 . 7 1 1 A 12 12 LYS CB C 12 32.388 31.965 0.423 1
1 79 . 7 1 1 A 12 12 LYS N N 12 118.575 125.267 -6.692 1
1 80 . 7 1 1 A 13 13 ASN H H 13 8.076 8.096 -0.020 1
1 81 . 7 1 1 A 13 13 ASN HA H 13 4.597 4.491 0.106 1
1 86 . 7 1 1 A 13 13 ASN C C 13 176.702 178.047 -1.345 1
1 87 . 7 1 1 A 13 13 ASN CA C 13 54.525 56.476 -1.951 1
1 88 . 7 1 1 A 13 13 ASN CB C 13 38.035 38.413 -0.378 1
1 89 . 7 1 1 A 13 13 ASN N N 13 117.381 118.535 -1.154 1
1 91 . 7 1 1 A 14 14 LEU H H 14 7.948 8.197 -0.249 1
1 92 . 7 1 1 A 14 14 LEU HA H 14 4.099 3.960 0.139 1
1 102 . 7 1 1 A 14 14 LEU C C 14 177.868 178.576 -0.708 1
1 103 . 7 1 1 A 14 14 LEU CA C 14 56.861 58.345 -1.484 1
1 104 . 7 1 1 A 14 14 LEU CB C 14 42.012 41.857 0.155 1
1 108 . 7 1 1 A 14 14 LEU N N 14 121.775 121.437 0.338 1
1 109 . 7 1 1 A 15 15 LEU H H 15 7.996 8.212 -0.216 1
1 110 . 7 1 1 A 15 15 LEU HA H 15 3.705 3.654 0.051 1
1 120 . 7 1 1 A 15 15 LEU C C 15 178.887 179.149 -0.262 1
1 121 . 7 1 1 A 15 15 LEU CA C 15 58.201 57.725 0.476 1
1 122 . 7 1 1 A 15 15 LEU CB C 15 41.067 41.655 -0.588 1
1 126 . 7 1 1 A 15 15 LEU N N 15 119.072 119.228 -0.156 1
1 127 . 7 1 1 A 16 16 SER H H 16 7.968 7.578 0.390 1
1 128 . 7 1 1 A 16 16 SER HA H 16 4.064 4.036 0.028 1
1 131 . 7 1 1 A 16 16 SER C C 16 176.897 176.098 0.799 1
1 132 . 7 1 1 A 16 16 SER CA C 16 61.915 62.204 -0.289 1
1 133 . 7 1 1 A 16 16 SER CB C 16 62.496 62.944 -0.448 1
1 134 . 7 1 1 A 16 16 SER N N 16 113.400 114.092 -0.692 1
1 135 . 7 1 1 A 17 17 LEU H H 17 7.487 7.804 -0.317 1
1 136 . 7 1 1 A 17 17 LEU HA H 17 3.980 3.932 0.048 1
1 140 . 7 1 1 A 17 17 LEU C C 17 178.547 179.336 -0.789 1
1 141 . 7 1 1 A 17 17 LEU CA C 17 58.205 57.720 0.485 1
1 142 . 7 1 1 A 17 17 LEU CB C 17 41.973 41.697 0.276 1
1 143 . 7 1 1 A 17 17 LEU N N 17 122.840 120.748 2.092 1
1 144 . 7 1 1 A 18 18 LEU H H 18 7.950 7.455 0.495 1
1 145 . 7 1 1 A 18 18 LEU HA H 18 3.982 4.171 -0.189 1
1 154 . 7 1 1 A 18 18 LEU C C 18 178.645 178.569 0.076 1
1 155 . 7 1 1 A 18 18 LEU CA C 18 58.203 56.948 1.255 1
1 156 . 7 1 1 A 18 18 LEU CB C 18 38.932 41.374 -2.442 1
1 160 . 7 1 1 A 18 18 LEU N N 18 118.407 118.625 -0.218 1
1 161 . 7 1 1 A 19 19 LYS H H 19 8.352 8.341 0.011 1
1 162 . 7 1 1 A 19 19 LYS HA H 19 4.051 4.096 -0.045 1
1 169 . 7 1 1 A 19 19 LYS C C 19 178.960 178.803 0.157 1
1 170 . 7 1 1 A 19 19 LYS CA C 19 60.537 59.367 1.170 1
1 171 . 7 1 1 A 19 19 LYS CB C 19 32.332 32.272 0.060 1
1 175 . 7 1 1 A 19 19 LYS N N 19 118.242 119.644 -1.402 1
1 176 . 7 1 1 A 20 20 ALA H H 20 7.717 7.483 0.234 1
1 177 . 7 1 1 A 20 20 ALA HA H 20 4.202 4.030 0.172 1
1 181 . 7 1 1 A 20 20 ALA C C 20 180.732 179.822 0.910 1
1 182 . 7 1 1 A 20 20 ALA CA C 20 54.879 55.101 -0.222 1
1 183 . 7 1 1 A 20 20 ALA CB C 20 17.608 18.633 -1.025 1
1 184 . 7 1 1 A 20 20 ALA N N 20 122.505 121.790 0.715 1
1 185 . 7 1 1 A 21 21 TYR HA H 21 4.236 4.349 -0.113 1
1 192 . 7 1 1 A 21 21 TYR C C 21 178.839 178.410 0.429 1
1 193 . 7 1 1 A 21 21 TYR CA C 21 63.047 60.895 2.152 1
1 194 . 7 1 1 A 21 21 TYR CB C 21 38.388 38.179 0.209 1
1 199 . 7 1 1 A 22 22 TYR H H 22 8.857 8.054 0.803 1
1 200 . 7 1 1 A 22 22 TYR HA H 22 4.305 4.979 -0.674 1
1 207 . 7 1 1 A 22 22 TYR C C 22 176.338 177.273 -0.935 1
1 208 . 7 1 1 A 22 22 TYR CA C 22 61.389 62.302 -0.913 1
1 209 . 7 1 1 A 22 22 TYR CB C 22 38.790 38.953 -0.163 1
1 214 . 7 1 1 A 22 22 TYR N N 22 122.639 120.978 1.661 1
1 215 . 7 1 1 A 23 23 ALA H H 23 7.762 8.352 -0.590 1
1 216 . 7 1 1 A 23 23 ALA HA H 23 4.047 3.888 0.159 1
1 220 . 7 1 1 A 23 23 ALA C C 23 179.179 179.645 -0.466 1
1 221 . 7 1 1 A 23 23 ALA CA C 23 53.906 55.259 -1.353 1
1 222 . 7 1 1 A 23 23 ALA CB C 23 18.328 18.682 -0.354 1
1 223 . 7 1 1 A 23 23 ALA N N 23 117.361 121.450 -4.089 1
1 224 . 7 1 1 A 24 24 LEU H H 24 7.267 7.911 -0.644 1
1 225 . 7 1 1 A 24 24 LEU HA H 24 4.210 4.049 0.161 1
1 235 . 7 1 1 A 24 24 LEU C C 24 177.673 176.318 1.355 1
1 236 . 7 1 1 A 24 24 LEU CA C 24 56.382 57.498 -1.116 1
1 237 . 7 1 1 A 24 24 LEU CB C 24 42.933 41.561 1.372 1
1 241 . 7 1 1 A 24 24 LEU N N 24 117.259 115.177 2.082 1
1 242 . 7 1 1 A 25 25 ASN H H 25 7.862 8.466 -0.604 1
1 243 . 7 1 1 A 25 25 ASN HA H 25 4.466 4.930 -0.464 1
1 248 . 7 1 1 A 25 25 ASN C C 25 173.036 175.585 -2.549 1
1 249 . 7 1 1 A 25 25 ASN CA C 25 53.077 51.825 1.252 1
1 250 . 7 1 1 A 25 25 ASN CB C 25 37.853 38.779 -0.926 1
1 251 . 7 1 1 A 25 25 ASN N N 25 116.521 118.167 -1.646 1
1 253 . 7 1 1 A 26 26 ALA H H 26 8.283 8.759 -0.476 1
1 254 . 7 1 1 A 26 26 ALA HA H 26 3.905 4.253 -0.348 1
1 258 . 7 1 1 A 26 26 ALA C C 26 177.212 177.997 -0.785 1
1 259 . 7 1 1 A 26 26 ALA CA C 26 53.323 54.233 -0.910 1
1 260 . 7 1 1 A 26 26 ALA CB C 26 19.548 19.467 0.081 1
1 261 . 7 1 1 A 26 26 ALA N N 26 126.202 128.957 -2.755 1
1 262 . 7 1 1 A 27 27 GLN H H 27 7.729 8.049 -0.320 1
1 263 . 7 1 1 A 27 27 GLN HA H 27 4.619 4.644 -0.025 1
1 270 . 7 1 1 A 27 27 GLN C C 27 172.090 173.964 -1.874 1
1 271 . 7 1 1 A 27 27 GLN CA C 27 52.706 53.055 -0.349 1
1 272 . 7 1 1 A 27 27 GLN CB C 27 29.636 28.706 0.930 1
1 274 . 7 1 1 A 27 27 GLN N N 27 113.721 113.839 -0.118 1
1 276 . 7 1 1 A 28 28 PRO HA H 28 4.485 4.439 0.046 1
1 283 . 7 1 1 A 28 28 PRO C C 28 177.018 176.694 0.324 1
1 284 . 7 1 1 A 28 28 PRO CA C 28 62.562 62.651 -0.089 1
1 285 . 7 1 1 A 28 28 PRO CB C 28 31.813 31.854 -0.041 1
1 288 . 7 1 1 A 29 29 SER H H 29 9.097 8.254 0.843 1
1 289 . 7 1 1 A 29 29 SER HA H 29 4.398 4.542 -0.144 1
1 292 . 7 1 1 A 29 29 SER C C 29 174.372 175.580 -1.208 1
1 293 . 7 1 1 A 29 29 SER CA C 29 56.986 56.814 0.172 1
1 294 . 7 1 1 A 29 29 SER CB C 29 65.661 65.707 -0.046 1
1 295 . 7 1 1 A 29 29 SER N N 29 118.156 115.011 3.145 1
1 296 . 7 1 1 A 30 30 ALA H H 30 8.916 8.955 -0.039 1
1 297 . 7 1 1 A 30 30 ALA HA H 30 3.965 3.984 -0.019 1
1 301 . 7 1 1 A 30 30 ALA C C 30 180.732 180.099 0.633 1
1 302 . 7 1 1 A 30 30 ALA CA C 30 56.044 55.507 0.537 1
1 303 . 7 1 1 A 30 30 ALA CB C 30 17.925 18.126 -0.201 1
1 304 . 7 1 1 A 30 30 ALA N N 30 123.162 123.398 -0.236 1
1 305 . 7 1 1 A 31 31 GLU H H 31 8.591 8.100 0.491 1
1 306 . 7 1 1 A 31 31 GLU HA H 31 4.011 3.990 0.021 1
1 310 . 7 1 1 A 31 31 GLU C C 31 179.519 178.993 0.526 1
1 311 . 7 1 1 A 31 31 GLU CA C 31 59.788 59.596 0.192 1
1 312 . 7 1 1 A 31 31 GLU CB C 31 29.349 29.315 0.034 1
1 314 . 7 1 1 A 31 31 GLU N N 31 118.280 118.277 0.003 1
1 315 . 7 1 1 A 32 32 GLU H H 32 7.702 7.976 -0.274 1
1 316 . 7 1 1 A 32 32 GLU HA H 32 3.844 4.093 -0.249 1
1 320 . 7 1 1 A 32 32 GLU C C 32 179.446 178.910 0.536 1
1 321 . 7 1 1 A 32 32 GLU CA C 32 59.408 58.703 0.705 1
1 322 . 7 1 1 A 32 32 GLU CB C 32 29.829 30.218 -0.389 1
1 324 . 7 1 1 A 32 32 GLU N N 32 121.025 120.279 0.746 1
1 325 . 7 1 1 A 33 33 LEU H H 33 8.679 8.366 0.313 1
1 326 . 7 1 1 A 33 33 LEU HA H 33 3.645 3.975 -0.330 1
1 336 . 7 1 1 A 33 33 LEU C C 33 178.378 178.598 -0.220 1
1 337 . 7 1 1 A 33 33 LEU CA C 33 58.218 57.704 0.514 1
1 338 . 7 1 1 A 33 33 LEU CB C 33 42.339 41.937 0.402 1
1 342 . 7 1 1 A 33 33 LEU N N 33 119.993 121.056 -1.063 1
1 343 . 7 1 1 A 34 34 SER H H 34 7.727 8.407 -0.680 1
1 344 . 7 1 1 A 34 34 SER HA H 34 4.116 4.046 0.070 1
1 347 . 7 1 1 A 34 34 SER C C 34 176.484 177.262 -0.778 1
1 348 . 7 1 1 A 34 34 SER CA C 34 62.063 61.556 0.507 1
1 349 . 7 1 1 A 34 34 SER CB C 34 62.725 62.855 -0.130 1
1 350 . 7 1 1 A 34 34 SER N N 34 113.341 113.200 0.141 1
1 351 . 7 1 1 A 35 35 LYS H H 35 7.525 7.879 -0.354 1
1 352 . 7 1 1 A 35 35 LYS HA H 35 4.122 3.911 0.211 1
1 361 . 7 1 1 A 35 35 LYS C C 35 180.368 178.582 1.786 1
1 362 . 7 1 1 A 35 35 LYS CA C 35 59.502 59.775 -0.273 1
1 363 . 7 1 1 A 35 35 LYS CB C 35 32.414 32.426 -0.012 1
1 367 . 7 1 1 A 35 35 LYS N N 35 120.812 121.157 -0.345 1
1 368 . 7 1 1 A 36 36 ILE H H 36 8.219 8.093 0.126 1
1 369 . 7 1 1 A 36 36 ILE HA H 36 3.280 3.497 -0.217 1
1 379 . 7 1 1 A 36 36 ILE C C 36 178.159 177.929 0.230 1
1 380 . 7 1 1 A 36 36 ILE CA C 36 65.794 65.202 0.592 1
1 381 . 7 1 1 A 36 36 ILE CB C 36 38.008 37.312 0.696 1
1 385 . 7 1 1 A 36 36 ILE N N 36 122.240 119.767 2.473 1
1 386 . 7 1 1 A 37 37 ALA H H 37 8.438 8.166 0.272 1
1 387 . 7 1 1 A 37 37 ALA HA H 37 3.862 3.958 -0.096 1
1 391 . 7 1 1 A 37 37 ALA C C 37 179.276 178.715 0.561 1
1 392 . 7 1 1 A 37 37 ALA CA C 37 56.223 55.728 0.495 1
1 393 . 7 1 1 A 37 37 ALA CB C 37 17.186 18.237 -1.051 1
1 394 . 7 1 1 A 37 37 ALA N N 37 122.058 122.026 0.032 1
1 395 . 7 1 1 A 38 38 ASP H H 38 8.072 8.123 -0.051 1
1 396 . 7 1 1 A 38 38 ASP HA H 38 4.495 4.374 0.121 1
1 399 . 7 1 1 A 38 38 ASP C C 38 178.984 178.230 0.754 1
1 400 . 7 1 1 A 38 38 ASP CA C 38 56.857 56.805 0.052 1
1 401 . 7 1 1 A 38 38 ASP CB C 38 40.813 41.413 -0.600 1
1 402 . 7 1 1 A 38 38 ASP N N 38 115.894 118.692 -2.798 1
1 403 . 7 1 1 A 39 39 SER H H 39 7.954 7.640 0.314 1
1 404 . 7 1 1 A 39 39 SER HA H 39 4.247 4.326 -0.079 1
1 406 . 7 1 1 A 39 39 SER C C 39 175.610 176.230 -0.620 1
1 407 . 7 1 1 A 39 39 SER CA C 39 61.580 61.171 0.409 1
1 408 . 7 1 1 A 39 39 SER CB C 39 63.373 62.936 0.437 1
1 409 . 7 1 1 A 39 39 SER N N 39 114.432 114.552 -0.120 1
1 410 . 7 1 1 A 40 40 VAL H H 40 7.850 7.314 0.536 1
1 411 . 7 1 1 A 40 40 VAL HA H 40 4.456 4.259 0.197 1
1 419 . 7 1 1 A 40 40 VAL C C 40 174.445 174.623 -0.178 1
1 420 . 7 1 1 A 40 40 VAL CA C 40 60.913 61.166 -0.253 1
1 421 . 7 1 1 A 40 40 VAL CB C 40 31.778 31.162 0.616 1
1 424 . 7 1 1 A 40 40 VAL N N 40 111.349 113.678 -2.329 1
1 425 . 7 1 1 A 41 41 ASN H H 41 7.804 8.038 -0.234 1
1 426 . 7 1 1 A 41 41 ASN HA H 41 4.348 4.334 0.014 1
1 431 . 7 1 1 A 41 41 ASN C C 41 174.008 173.720 0.288 1
1 432 . 7 1 1 A 41 41 ASN CA C 41 54.066 54.485 -0.419 1
1 433 . 7 1 1 A 41 41 ASN CB C 41 37.225 36.775 0.450 1
1 434 . 7 1 1 A 41 41 ASN N N 41 117.410 115.313 2.097 1
1 436 . 7 1 1 A 42 42 LEU H H 42 7.904 7.509 0.395 1
1 437 . 7 1 1 A 42 42 LEU HA H 42 5.001 4.803 0.198 1
1 447 . 7 1 1 A 42 42 LEU C C 42 173.886 174.282 -0.396 1
1 448 . 7 1 1 A 42 42 LEU CA C 42 51.484 51.554 -0.070 1
1 449 . 7 1 1 A 42 42 LEU CB C 42 45.928 44.189 1.739 1
1 453 . 7 1 1 A 42 42 LEU N N 42 117.347 118.883 -1.536 1
1 454 . 7 1 1 A 43 43 PRO HA H 43 4.423 4.563 -0.140 1
1 461 . 7 1 1 A 43 43 PRO C C 43 178.013 176.622 1.391 1
1 462 . 7 1 1 A 43 43 PRO CA C 43 62.234 62.338 -0.104 1
1 463 . 7 1 1 A 43 43 PRO CB C 43 32.616 33.488 -0.872 1
1 466 . 7 1 1 A 44 44 LEU H H 44 8.758 8.847 -0.089 1
1 467 . 7 1 1 A 44 44 LEU HA H 44 3.780 4.187 -0.407 1
1 477 . 7 1 1 A 44 44 LEU C C 44 178.208 178.135 0.073 1
1 478 . 7 1 1 A 44 44 LEU CA C 44 58.592 56.873 1.719 1
1 479 . 7 1 1 A 44 44 LEU CB C 44 41.747 42.173 -0.426 1
1 483 . 7 1 1 A 44 44 LEU N N 44 125.847 122.154 3.693 1
1 484 . 7 1 1 A 45 45 ASP H H 45 8.822 8.273 0.549 1
1 485 . 7 1 1 A 45 45 ASP HA H 45 4.270 4.373 -0.103 1
1 488 . 7 1 1 A 45 45 ASP C C 45 178.523 178.420 0.103 1
1 489 . 7 1 1 A 45 45 ASP CA C 45 57.621 57.049 0.572 1
1 490 . 7 1 1 A 45 45 ASP CB C 45 40.612 40.376 0.236 1
1 491 . 7 1 1 A 45 45 ASP N N 45 114.687 118.368 -3.681 1
1 492 . 7 1 1 A 46 46 VAL H H 46 7.098 7.929 -0.831 1
1 493 . 7 1 1 A 46 46 VAL HA H 46 3.707 3.642 0.065 1
1 501 . 7 1 1 A 46 46 VAL C C 46 178.353 178.633 -0.280 1
1 502 . 7 1 1 A 46 46 VAL CA C 46 65.770 66.468 -0.698 1
1 503 . 7 1 1 A 46 46 VAL CB C 46 32.179 31.616 0.563 1
1 506 . 7 1 1 A 46 46 VAL N N 46 118.849 120.186 -1.337 1
1 507 . 7 1 1 A 47 47 VAL H H 47 7.429 8.214 -0.785 1
1 508 . 7 1 1 A 47 47 VAL HA H 47 3.633 3.644 -0.011 1
1 516 . 7 1 1 A 47 47 VAL C C 47 177.698 178.357 -0.659 1
1 517 . 7 1 1 A 47 47 VAL CA C 47 67.413 66.824 0.589 1
1 518 . 7 1 1 A 47 47 VAL CB C 47 32.258 31.652 0.606 1
1 521 . 7 1 1 A 47 47 VAL N N 47 120.616 120.743 -0.127 1
1 522 . 7 1 1 A 48 48 LYS H H 48 9.110 7.891 1.219 1
1 523 . 7 1 1 A 48 48 LYS HA H 48 4.005 4.043 -0.038 1
1 531 . 7 1 1 A 48 48 LYS C C 48 178.717 179.186 -0.469 1
1 532 . 7 1 1 A 48 48 LYS CA C 48 60.749 60.586 0.163 1
1 533 . 7 1 1 A 48 48 LYS CB C 48 33.140 32.451 0.689 1
1 537 . 7 1 1 A 48 48 LYS N N 48 119.748 119.091 0.657 1
1 538 . 7 1 1 A 49 49 LYS H H 49 7.901 8.016 -0.115 1
1 539 . 7 1 1 A 49 49 LYS HA H 49 4.116 4.011 0.105 1
1 547 . 7 1 1 A 49 49 LYS C C 49 178.863 178.688 0.175 1
1 548 . 7 1 1 A 49 49 LYS CA C 49 59.087 59.453 -0.366 1
1 549 . 7 1 1 A 49 49 LYS CB C 49 32.085 32.213 -0.128 1
1 553 . 7 1 1 A 49 49 LYS N N 49 117.787 119.416 -1.629 1
1 554 . 7 1 1 A 50 50 TRP H H 50 8.060 7.831 0.229 1
1 555 . 7 1 1 A 50 50 TRP HA H 50 4.089 4.160 -0.071 1
1 564 . 7 1 1 A 50 50 TRP C C 50 178.547 177.885 0.662 1
1 565 . 7 1 1 A 50 50 TRP CA C 50 62.575 60.701 1.874 1
1 566 . 7 1 1 A 50 50 TRP CB C 50 28.755 29.634 -0.879 1
1 572 . 7 1 1 A 50 50 TRP N N 50 121.102 121.391 -0.289 1
1 574 . 7 1 1 A 51 51 PHE H H 51 8.695 8.207 0.488 1
1 575 . 7 1 1 A 51 51 PHE HA H 51 3.750 4.019 -0.269 1
1 583 . 7 1 1 A 51 51 PHE C C 51 178.620 178.186 0.434 1
1 584 . 7 1 1 A 51 51 PHE CA C 51 63.542 61.865 1.677 1
1 585 . 7 1 1 A 51 51 PHE CB C 51 39.112 38.712 0.400 1
1 591 . 7 1 1 A 51 51 PHE N N 51 118.773 118.051 0.722 1
1 592 . 7 1 1 A 52 52 GLU H H 52 8.399 8.352 0.047 1
1 593 . 7 1 1 A 52 52 GLU HA H 52 4.077 3.864 0.213 1
1 598 . 7 1 1 A 52 52 GLU C C 52 179.834 179.081 0.753 1
1 599 . 7 1 1 A 52 52 GLU CA C 52 59.657 59.886 -0.229 1
1 600 . 7 1 1 A 52 52 GLU CB C 52 29.561 29.153 0.408 1
1 602 . 7 1 1 A 52 52 GLU N N 52 118.518 118.138 0.380 1
1 603 . 7 1 1 A 53 53 LYS H H 53 7.957 7.657 0.300 1
1 604 . 7 1 1 A 53 53 LYS HA H 53 3.981 3.909 0.072 1
1 612 . 7 1 1 A 53 53 LYS C C 53 179.349 178.610 0.739 1
1 613 . 7 1 1 A 53 53 LYS CA C 53 59.087 59.108 -0.021 1
1 614 . 7 1 1 A 53 53 LYS CB C 53 32.091 32.247 -0.156 1
1 618 . 7 1 1 A 53 53 LYS N N 53 120.286 119.641 0.645 1
1 619 . 7 1 1 A 54 54 MET H H 54 7.762 7.866 -0.104 1
1 620 . 7 1 1 A 54 54 MET HA H 54 3.853 3.674 0.179 1
1 626 . 7 1 1 A 54 54 MET C C 54 179.349 177.779 1.570 1
1 627 . 7 1 1 A 54 54 MET CA C 54 57.071 58.080 -1.009 1
1 628 . 7 1 1 A 54 54 MET CB C 54 31.158 31.099 0.059 1
1 631 . 7 1 1 A 54 54 MET N N 54 119.874 118.358 1.516 1
1 632 . 7 1 1 A 55 55 GLN H H 55 8.284 8.272 0.012 1
1 633 . 7 1 1 A 55 55 GLN HA H 55 4.172 4.149 0.023 1
1 640 . 7 1 1 A 55 55 GLN C C 55 178.013 177.804 0.209 1
1 641 . 7 1 1 A 55 55 GLN CA C 55 57.906 58.776 -0.870 1
1 642 . 7 1 1 A 55 55 GLN CB C 55 28.308 28.147 0.161 1
1 644 . 7 1 1 A 55 55 GLN N N 55 119.171 117.553 1.618 1
1 646 . 7 1 1 A 56 56 ALA H H 56 7.665 6.997 0.668 1
1 647 . 7 1 1 A 56 56 ALA HA H 56 4.289 4.301 -0.012 1
1 651 . 7 1 1 A 56 56 ALA C C 56 178.572 177.740 0.832 1
1 652 . 7 1 1 A 56 56 ALA CA C 56 53.041 52.255 0.786 1
1 653 . 7 1 1 A 56 56 ALA CB C 56 18.784 19.415 -0.631 1
1 654 . 7 1 1 A 56 56 ALA N N 56 120.252 119.203 1.049 1
1 655 . 7 1 1 A 57 57 GLY H H 57 7.802 7.880 -0.078 1
1 656 . 7 1 1 A 57 57 GLY HA2 H 57 3.945 3.932 0.013 1
1 657 . 7 1 1 A 57 57 GLY HA3 H 57 3.945 3.948 -0.003 1
1 658 . 7 1 1 A 57 57 GLY C C 57 174.809 175.170 -0.361 1
1 659 . 7 1 1 A 57 57 GLY CA C 57 45.748 45.354 0.394 1
1 660 . 7 1 1 A 57 57 GLY N N 57 106.361 105.878 0.483 1
1 661 . 7 1 1 A 58 58 GLN H H 58 7.961 8.054 -0.093 1
1 662 . 7 1 1 A 58 58 GLN HA H 58 4.280 4.165 0.115 1
1 669 . 7 1 1 A 58 58 GLN C C 58 175.877 176.690 -0.813 1
1 670 . 7 1 1 A 58 58 GLN CA C 58 55.890 58.353 -2.463 1
1 671 . 7 1 1 A 58 58 GLN CB C 58 29.211 28.561 0.650 1
1 673 . 7 1 1 A 58 58 GLN N N 58 118.690 118.073 0.617 1
1 675 . 7 1 1 A 59 59 ILE H H 59 7.828 7.549 0.279 1
1 676 . 7 1 1 A 59 59 ILE HA H 59 4.178 4.186 -0.008 1
1 686 . 7 1 1 A 59 59 ILE C C 59 175.950 175.165 0.785 1
1 687 . 7 1 1 A 59 59 ILE CA C 59 60.796 61.119 -0.323 1
1 688 . 7 1 1 A 59 59 ILE CB C 59 38.884 36.528 2.356 1
1 692 . 7 1 1 A 59 59 ILE N N 59 119.986 121.351 -1.365 1
1 693 . 7 1 1 A 60 60 SER H H 60 8.358 8.037 0.321 1
1 694 . 7 1 1 A 60 60 SER HA H 60 4.485 4.350 0.135 1
1 697 . 7 1 1 A 60 60 SER C C 60 174.542 175.486 -0.944 1
1 698 . 7 1 1 A 60 60 SER CA C 60 58.000 60.549 -2.549 1
1 699 . 7 1 1 A 60 60 SER CB C 60 63.869 63.665 0.204 1
1 700 . 7 1 1 A 60 60 SER N N 60 119.848 123.349 -3.501 1
1 701 . 7 1 1 A 61 61 VAL H H 61 8.223 8.798 -0.575 1
1 702 . 7 1 1 A 61 61 VAL HA H 61 4.132 4.280 -0.148 1
1 710 . 7 1 1 A 61 61 VAL C C 61 176.023 174.866 1.157 1
1 711 . 7 1 1 A 61 61 VAL CA C 61 62.254 61.061 1.193 1
1 712 . 7 1 1 A 61 61 VAL CB C 61 32.702 31.307 1.395 1
1 715 . 7 1 1 A 61 61 VAL N N 61 121.796 121.584 0.212 1
1 716 . 7 1 1 A 62 62 GLN H H 62 8.405 7.906 0.499 1
1 717 . 7 1 1 A 62 62 GLN HA H 62 4.389 5.081 -0.692 1
1 724 . 7 1 1 A 62 62 GLN C C 62 175.901 173.967 1.934 1
1 725 . 7 1 1 A 62 62 GLN CA C 62 55.792 53.901 1.891 1
1 726 . 7 1 1 A 62 62 GLN CB C 62 29.530 32.515 -2.985 1
1 728 . 7 1 1 A 62 62 GLN N N 62 123.728 120.295 3.433 1
1 730 . 7 1 1 A 63 63 SER H H 63 8.396 8.581 -0.185 1
1 731 . 7 1 1 A 63 63 SER HA H 63 4.482 5.147 -0.665 1
1 734 . 7 1 1 A 63 63 SER C C 63 173.668 173.909 -0.241 1
1 735 . 7 1 1 A 63 63 SER CA C 63 58.445 56.370 2.075 1
1 736 . 7 1 1 A 63 63 SER CB C 63 63.964 65.744 -1.780 1
1 737 . 7 1 1 A 63 63 SER N N 63 118.100 115.377 2.723 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.502 5.088 -0.586 1
1 4 . 8 1 1 A 6 6 SER C C 6 175.076 173.354 1.722 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.733 57.611 1.122 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.809 67.636 -3.827 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.416 8.274 0.142 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.966 4.227 -0.261 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.966 4.228 -0.262 1
1 10 . 8 1 1 A 7 7 GLY C C 7 173.813 172.350 1.463 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.226 45.970 -0.744 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.646 109.338 1.308 1
1 13 . 8 1 1 A 8 8 GLN H H 8 8.187 8.322 -0.135 1
1 14 . 8 1 1 A 8 8 GLN HA H 8 4.656 4.740 -0.084 1
1 21 . 8 1 1 A 8 8 GLN C C 8 173.741 173.578 0.163 1
1 22 . 8 1 1 A 8 8 GLN CA C 8 53.677 52.663 1.014 1
1 23 . 8 1 1 A 8 8 GLN CB C 8 29.079 29.260 -0.181 1
1 25 . 8 1 1 A 8 8 GLN N N 8 120.767 122.551 -1.784 1
1 27 . 8 1 1 A 9 9 PRO HA H 9 4.723 4.639 0.084 1
1 34 . 8 1 1 A 9 9 PRO CB C 9 27.766 31.598 -3.832 1
1 37 . 8 1 1 A 10 10 PRO HA H 10 4.444 4.577 -0.133 1
1 43 . 8 1 1 A 10 10 PRO C C 10 177.309 176.564 0.745 1
1 44 . 8 1 1 A 10 10 PRO CA C 10 63.083 62.145 0.938 1
1 45 . 8 1 1 A 10 10 PRO CB C 10 31.881 32.886 -1.005 1
1 48 . 8 1 1 A 11 11 LEU H H 11 8.323 8.180 0.143 1
1 49 . 8 1 1 A 11 11 LEU HA H 11 4.105 4.114 -0.009 1
1 59 . 8 1 1 A 11 11 LEU C C 11 178.232 177.577 0.655 1
1 60 . 8 1 1 A 11 11 LEU CA C 11 56.572 55.852 0.720 1
1 61 . 8 1 1 A 11 11 LEU CB C 11 42.000 43.364 -1.364 1
1 64 . 8 1 1 A 11 11 LEU N N 11 122.449 123.566 -1.117 1
1 65 . 8 1 1 A 12 12 LYS H H 12 8.319 8.643 -0.324 1
1 66 . 8 1 1 A 12 12 LYS HA H 12 3.986 4.082 -0.096 1
1 73 . 8 1 1 A 12 12 LYS C C 12 177.722 178.529 -0.807 1
1 74 . 8 1 1 A 12 12 LYS CA C 12 58.842 59.031 -0.189 1
1 75 . 8 1 1 A 12 12 LYS CB C 12 32.388 32.553 -0.165 1
1 79 . 8 1 1 A 12 12 LYS N N 12 118.575 123.731 -5.156 1
1 80 . 8 1 1 A 13 13 ASN H H 13 8.076 8.360 -0.284 1
1 81 . 8 1 1 A 13 13 ASN HA H 13 4.597 4.472 0.125 1
1 86 . 8 1 1 A 13 13 ASN C C 13 176.702 177.188 -0.486 1
1 87 . 8 1 1 A 13 13 ASN CA C 13 54.525 55.853 -1.328 1
1 88 . 8 1 1 A 13 13 ASN CB C 13 38.035 37.943 0.092 1
1 89 . 8 1 1 A 13 13 ASN N N 13 117.381 117.474 -0.093 1
1 91 . 8 1 1 A 14 14 LEU H H 14 7.948 7.956 -0.008 1
1 92 . 8 1 1 A 14 14 LEU HA H 14 4.099 3.992 0.107 1
1 102 . 8 1 1 A 14 14 LEU C C 14 177.868 178.299 -0.431 1
1 103 . 8 1 1 A 14 14 LEU CA C 14 56.861 58.022 -1.161 1
1 104 . 8 1 1 A 14 14 LEU CB C 14 42.012 41.477 0.535 1
1 108 . 8 1 1 A 14 14 LEU N N 14 121.775 117.466 4.309 1
1 109 . 8 1 1 A 15 15 LEU H H 15 7.996 8.150 -0.154 1
1 110 . 8 1 1 A 15 15 LEU HA H 15 3.705 3.707 -0.002 1
1 120 . 8 1 1 A 15 15 LEU C C 15 178.887 178.845 0.042 1
1 121 . 8 1 1 A 15 15 LEU CA C 15 58.201 57.550 0.651 1
1 122 . 8 1 1 A 15 15 LEU CB C 15 41.067 41.726 -0.659 1
1 126 . 8 1 1 A 15 15 LEU N N 15 119.072 119.291 -0.219 1
1 127 . 8 1 1 A 16 16 SER H H 16 7.968 7.891 0.077 1
1 128 . 8 1 1 A 16 16 SER HA H 16 4.064 4.144 -0.080 1
1 131 . 8 1 1 A 16 16 SER C C 16 176.897 177.408 -0.511 1
1 132 . 8 1 1 A 16 16 SER CA C 16 61.915 61.453 0.462 1
1 133 . 8 1 1 A 16 16 SER CB C 16 62.496 62.826 -0.330 1
1 134 . 8 1 1 A 16 16 SER N N 16 113.400 115.061 -1.661 1
1 135 . 8 1 1 A 17 17 LEU H H 17 7.487 8.448 -0.961 1
1 136 . 8 1 1 A 17 17 LEU HA H 17 3.980 3.922 0.058 1
1 140 . 8 1 1 A 17 17 LEU C C 17 178.547 179.006 -0.459 1
1 141 . 8 1 1 A 17 17 LEU CA C 17 58.205 57.928 0.277 1
1 142 . 8 1 1 A 17 17 LEU CB C 17 41.973 41.848 0.125 1
1 143 . 8 1 1 A 17 17 LEU N N 17 122.840 122.091 0.749 1
1 144 . 8 1 1 A 18 18 LEU H H 18 7.950 7.961 -0.011 1
1 145 . 8 1 1 A 18 18 LEU HA H 18 3.982 3.699 0.283 1
1 154 . 8 1 1 A 18 18 LEU C C 18 178.645 178.706 -0.061 1
1 155 . 8 1 1 A 18 18 LEU CA C 18 58.203 57.918 0.285 1
1 156 . 8 1 1 A 18 18 LEU CB C 18 38.932 40.663 -1.731 1
1 160 . 8 1 1 A 18 18 LEU N N 18 118.407 118.422 -0.015 1
1 161 . 8 1 1 A 19 19 LYS H H 19 8.352 7.730 0.622 1
1 162 . 8 1 1 A 19 19 LYS HA H 19 4.051 4.117 -0.066 1
1 169 . 8 1 1 A 19 19 LYS C C 19 178.960 179.025 -0.065 1
1 170 . 8 1 1 A 19 19 LYS CA C 19 60.537 60.242 0.295 1
1 171 . 8 1 1 A 19 19 LYS CB C 19 32.332 32.485 -0.153 1
1 175 . 8 1 1 A 19 19 LYS N N 19 118.242 116.778 1.464 1
1 176 . 8 1 1 A 20 20 ALA H H 20 7.717 8.445 -0.728 1
1 177 . 8 1 1 A 20 20 ALA HA H 20 4.202 4.059 0.143 1
1 181 . 8 1 1 A 20 20 ALA C C 20 180.732 179.536 1.196 1
1 182 . 8 1 1 A 20 20 ALA CA C 20 54.879 55.311 -0.432 1
1 183 . 8 1 1 A 20 20 ALA CB C 20 17.608 18.562 -0.954 1
1 184 . 8 1 1 A 20 20 ALA N N 20 122.505 121.808 0.697 1
1 185 . 8 1 1 A 21 21 TYR HA H 21 4.236 4.378 -0.142 1
1 192 . 8 1 1 A 21 21 TYR C C 21 178.839 178.398 0.441 1
1 193 . 8 1 1 A 21 21 TYR CA C 21 63.047 61.443 1.604 1
1 194 . 8 1 1 A 21 21 TYR CB C 21 38.388 38.077 0.311 1
1 199 . 8 1 1 A 22 22 TYR H H 22 8.857 8.090 0.767 1
1 200 . 8 1 1 A 22 22 TYR HA H 22 4.305 4.918 -0.613 1
1 207 . 8 1 1 A 22 22 TYR C C 22 176.338 177.882 -1.544 1
1 208 . 8 1 1 A 22 22 TYR CA C 22 61.389 61.910 -0.521 1
1 209 . 8 1 1 A 22 22 TYR CB C 22 38.790 39.116 -0.326 1
1 214 . 8 1 1 A 22 22 TYR N N 22 122.639 120.818 1.821 1
1 215 . 8 1 1 A 23 23 ALA H H 23 7.762 8.330 -0.568 1
1 216 . 8 1 1 A 23 23 ALA HA H 23 4.047 3.997 0.050 1
1 220 . 8 1 1 A 23 23 ALA C C 23 179.179 179.436 -0.257 1
1 221 . 8 1 1 A 23 23 ALA CA C 23 53.906 55.173 -1.267 1
1 222 . 8 1 1 A 23 23 ALA CB C 23 18.328 18.393 -0.065 1
1 223 . 8 1 1 A 23 23 ALA N N 23 117.361 121.789 -4.428 1
1 224 . 8 1 1 A 24 24 LEU H H 24 7.267 7.267 0.000 1
1 225 . 8 1 1 A 24 24 LEU HA H 24 4.210 4.061 0.149 1
1 235 . 8 1 1 A 24 24 LEU C C 24 177.673 176.374 1.299 1
1 236 . 8 1 1 A 24 24 LEU CA C 24 56.382 57.379 -0.997 1
1 237 . 8 1 1 A 24 24 LEU CB C 24 42.933 42.047 0.886 1
1 241 . 8 1 1 A 24 24 LEU N N 24 117.259 114.591 2.668 1
1 242 . 8 1 1 A 25 25 ASN H H 25 7.862 8.510 -0.648 1
1 243 . 8 1 1 A 25 25 ASN HA H 25 4.466 4.920 -0.454 1
1 248 . 8 1 1 A 25 25 ASN C C 25 173.036 175.518 -2.482 1
1 249 . 8 1 1 A 25 25 ASN CA C 25 53.077 51.607 1.470 1
1 250 . 8 1 1 A 25 25 ASN CB C 25 37.853 38.417 -0.564 1
1 251 . 8 1 1 A 25 25 ASN N N 25 116.521 118.171 -1.650 1
1 253 . 8 1 1 A 26 26 ALA H H 26 8.283 8.622 -0.339 1
1 254 . 8 1 1 A 26 26 ALA HA H 26 3.905 4.076 -0.171 1
1 258 . 8 1 1 A 26 26 ALA C C 26 177.212 178.040 -0.828 1
1 259 . 8 1 1 A 26 26 ALA CA C 26 53.323 54.786 -1.463 1
1 260 . 8 1 1 A 26 26 ALA CB C 26 19.548 19.162 0.386 1
1 261 . 8 1 1 A 26 26 ALA N N 26 126.202 128.363 -2.161 1
1 262 . 8 1 1 A 27 27 GLN H H 27 7.729 7.981 -0.252 1
1 263 . 8 1 1 A 27 27 GLN HA H 27 4.619 4.562 0.057 1
1 270 . 8 1 1 A 27 27 GLN C C 27 172.090 174.046 -1.956 1
1 271 . 8 1 1 A 27 27 GLN CA C 27 52.706 53.003 -0.297 1
1 272 . 8 1 1 A 27 27 GLN CB C 27 29.636 28.617 1.019 1
1 274 . 8 1 1 A 27 27 GLN N N 27 113.721 113.771 -0.050 1
1 276 . 8 1 1 A 28 28 PRO HA H 28 4.485 4.519 -0.034 1
1 283 . 8 1 1 A 28 28 PRO C C 28 177.018 176.875 0.143 1
1 284 . 8 1 1 A 28 28 PRO CA C 28 62.562 62.498 0.064 1
1 285 . 8 1 1 A 28 28 PRO CB C 28 31.813 31.877 -0.064 1
1 288 . 8 1 1 A 29 29 SER H H 29 9.097 8.403 0.694 1
1 289 . 8 1 1 A 29 29 SER HA H 29 4.398 4.607 -0.209 1
1 292 . 8 1 1 A 29 29 SER C C 29 174.372 175.873 -1.501 1
1 293 . 8 1 1 A 29 29 SER CA C 29 56.986 58.584 -1.598 1
1 294 . 8 1 1 A 29 29 SER CB C 29 65.661 64.303 1.358 1
1 295 . 8 1 1 A 29 29 SER N N 29 118.156 117.868 0.288 1
1 296 . 8 1 1 A 30 30 ALA H H 30 8.916 9.026 -0.110 1
1 297 . 8 1 1 A 30 30 ALA HA H 30 3.965 4.024 -0.059 1
1 301 . 8 1 1 A 30 30 ALA C C 30 180.732 179.866 0.866 1
1 302 . 8 1 1 A 30 30 ALA CA C 30 56.044 55.589 0.455 1
1 303 . 8 1 1 A 30 30 ALA CB C 30 17.925 18.471 -0.546 1
1 304 . 8 1 1 A 30 30 ALA N N 30 123.162 125.657 -2.495 1
1 305 . 8 1 1 A 31 31 GLU H H 31 8.591 8.232 0.359 1
1 306 . 8 1 1 A 31 31 GLU HA H 31 4.011 3.993 0.018 1
1 310 . 8 1 1 A 31 31 GLU C C 31 179.519 179.240 0.279 1
1 311 . 8 1 1 A 31 31 GLU CA C 31 59.788 59.451 0.337 1
1 312 . 8 1 1 A 31 31 GLU CB C 31 29.349 29.394 -0.045 1
1 314 . 8 1 1 A 31 31 GLU N N 31 118.280 117.714 0.566 1
1 315 . 8 1 1 A 32 32 GLU H H 32 7.702 7.864 -0.162 1
1 316 . 8 1 1 A 32 32 GLU HA H 32 3.844 4.134 -0.290 1
1 320 . 8 1 1 A 32 32 GLU C C 32 179.446 178.905 0.541 1
1 321 . 8 1 1 A 32 32 GLU CA C 32 59.408 58.919 0.489 1
1 322 . 8 1 1 A 32 32 GLU CB C 32 29.829 29.857 -0.028 1
1 324 . 8 1 1 A 32 32 GLU N N 32 121.025 120.338 0.687 1
1 325 . 8 1 1 A 33 33 LEU H H 33 8.679 8.525 0.154 1
1 326 . 8 1 1 A 33 33 LEU HA H 33 3.645 3.876 -0.231 1
1 336 . 8 1 1 A 33 33 LEU C C 33 178.378 179.248 -0.870 1
1 337 . 8 1 1 A 33 33 LEU CA C 33 58.218 57.982 0.236 1
1 338 . 8 1 1 A 33 33 LEU CB C 33 42.339 41.495 0.844 1
1 342 . 8 1 1 A 33 33 LEU N N 33 119.993 121.076 -1.083 1
1 343 . 8 1 1 A 34 34 SER H H 34 7.727 8.035 -0.308 1
1 344 . 8 1 1 A 34 34 SER HA H 34 4.116 4.016 0.100 1
1 347 . 8 1 1 A 34 34 SER C C 34 176.484 177.308 -0.824 1
1 348 . 8 1 1 A 34 34 SER CA C 34 62.063 61.695 0.368 1
1 349 . 8 1 1 A 34 34 SER CB C 34 62.725 62.972 -0.247 1
1 350 . 8 1 1 A 34 34 SER N N 34 113.341 113.266 0.075 1
1 351 . 8 1 1 A 35 35 LYS H H 35 7.525 8.002 -0.477 1
1 352 . 8 1 1 A 35 35 LYS HA H 35 4.122 3.984 0.138 1
1 361 . 8 1 1 A 35 35 LYS C C 35 180.368 179.634 0.734 1
1 362 . 8 1 1 A 35 35 LYS CA C 35 59.502 59.391 0.111 1
1 363 . 8 1 1 A 35 35 LYS CB C 35 32.414 32.404 0.010 1
1 367 . 8 1 1 A 35 35 LYS N N 35 120.812 121.300 -0.488 1
1 368 . 8 1 1 A 36 36 ILE H H 36 8.219 7.919 0.300 1
1 369 . 8 1 1 A 36 36 ILE HA H 36 3.280 3.454 -0.174 1
1 379 . 8 1 1 A 36 36 ILE C C 36 178.159 177.956 0.203 1
1 380 . 8 1 1 A 36 36 ILE CA C 36 65.794 65.130 0.664 1
1 381 . 8 1 1 A 36 36 ILE CB C 36 38.008 37.139 0.869 1
1 385 . 8 1 1 A 36 36 ILE N N 36 122.240 120.379 1.861 1
1 386 . 8 1 1 A 37 37 ALA H H 37 8.438 8.360 0.078 1
1 387 . 8 1 1 A 37 37 ALA HA H 37 3.862 3.966 -0.104 1
1 391 . 8 1 1 A 37 37 ALA C C 37 179.276 178.753 0.523 1
1 392 . 8 1 1 A 37 37 ALA CA C 37 56.223 55.644 0.579 1
1 393 . 8 1 1 A 37 37 ALA CB C 37 17.186 18.403 -1.217 1
1 394 . 8 1 1 A 37 37 ALA N N 37 122.058 122.137 -0.079 1
1 395 . 8 1 1 A 38 38 ASP H H 38 8.072 8.227 -0.155 1
1 396 . 8 1 1 A 38 38 ASP HA H 38 4.495 4.352 0.143 1
1 399 . 8 1 1 A 38 38 ASP C C 38 178.984 178.479 0.505 1
1 400 . 8 1 1 A 38 38 ASP CA C 38 56.857 57.263 -0.406 1
1 401 . 8 1 1 A 38 38 ASP CB C 38 40.813 41.519 -0.706 1
1 402 . 8 1 1 A 38 38 ASP N N 38 115.894 119.108 -3.214 1
1 403 . 8 1 1 A 39 39 SER H H 39 7.954 7.450 0.504 1
1 404 . 8 1 1 A 39 39 SER HA H 39 4.247 4.228 0.019 1
1 406 . 8 1 1 A 39 39 SER C C 39 175.610 176.499 -0.889 1
1 407 . 8 1 1 A 39 39 SER CA C 39 61.580 61.288 0.292 1
1 408 . 8 1 1 A 39 39 SER CB C 39 63.373 62.837 0.536 1
1 409 . 8 1 1 A 39 39 SER N N 39 114.432 114.784 -0.352 1
1 410 . 8 1 1 A 40 40 VAL H H 40 7.850 7.327 0.523 1
1 411 . 8 1 1 A 40 40 VAL HA H 40 4.456 4.234 0.222 1
1 419 . 8 1 1 A 40 40 VAL C C 40 174.445 174.648 -0.203 1
1 420 . 8 1 1 A 40 40 VAL CA C 40 60.913 61.096 -0.183 1
1 421 . 8 1 1 A 40 40 VAL CB C 40 31.778 31.105 0.673 1
1 424 . 8 1 1 A 40 40 VAL N N 40 111.349 113.745 -2.396 1
1 425 . 8 1 1 A 41 41 ASN H H 41 7.804 7.982 -0.178 1
1 426 . 8 1 1 A 41 41 ASN HA H 41 4.348 4.323 0.025 1
1 431 . 8 1 1 A 41 41 ASN C C 41 174.008 173.792 0.216 1
1 432 . 8 1 1 A 41 41 ASN CA C 41 54.066 54.372 -0.306 1
1 433 . 8 1 1 A 41 41 ASN CB C 41 37.225 36.872 0.353 1
1 434 . 8 1 1 A 41 41 ASN N N 41 117.410 115.392 2.018 1
1 436 . 8 1 1 A 42 42 LEU H H 42 7.904 7.496 0.408 1
1 437 . 8 1 1 A 42 42 LEU HA H 42 5.001 4.780 0.221 1
1 447 . 8 1 1 A 42 42 LEU C C 42 173.886 174.186 -0.300 1
1 448 . 8 1 1 A 42 42 LEU CA C 42 51.484 51.478 0.006 1
1 449 . 8 1 1 A 42 42 LEU CB C 42 45.928 44.699 1.229 1
1 453 . 8 1 1 A 42 42 LEU N N 42 117.347 118.939 -1.592 1
1 454 . 8 1 1 A 43 43 PRO HA H 43 4.423 4.564 -0.141 1
1 461 . 8 1 1 A 43 43 PRO C C 43 178.013 176.678 1.335 1
1 462 . 8 1 1 A 43 43 PRO CA C 43 62.234 62.280 -0.046 1
1 463 . 8 1 1 A 43 43 PRO CB C 43 32.616 33.536 -0.920 1
1 466 . 8 1 1 A 44 44 LEU H H 44 8.758 8.867 -0.109 1
1 467 . 8 1 1 A 44 44 LEU HA H 44 3.780 4.209 -0.429 1
1 477 . 8 1 1 A 44 44 LEU C C 44 178.208 178.176 0.032 1
1 478 . 8 1 1 A 44 44 LEU CA C 44 58.592 56.987 1.605 1
1 479 . 8 1 1 A 44 44 LEU CB C 44 41.747 41.860 -0.113 1
1 483 . 8 1 1 A 44 44 LEU N N 44 125.847 122.208 3.639 1
1 484 . 8 1 1 A 45 45 ASP H H 45 8.822 8.193 0.629 1
1 485 . 8 1 1 A 45 45 ASP HA H 45 4.270 4.391 -0.121 1
1 488 . 8 1 1 A 45 45 ASP C C 45 178.523 178.222 0.301 1
1 489 . 8 1 1 A 45 45 ASP CA C 45 57.621 57.055 0.566 1
1 490 . 8 1 1 A 45 45 ASP CB C 45 40.612 40.348 0.264 1
1 491 . 8 1 1 A 45 45 ASP N N 45 114.687 118.398 -3.711 1
1 492 . 8 1 1 A 46 46 VAL H H 46 7.098 8.005 -0.907 1
1 493 . 8 1 1 A 46 46 VAL HA H 46 3.707 3.623 0.084 1
1 501 . 8 1 1 A 46 46 VAL C C 46 178.353 178.685 -0.332 1
1 502 . 8 1 1 A 46 46 VAL CA C 46 65.770 66.447 -0.677 1
1 503 . 8 1 1 A 46 46 VAL CB C 46 32.179 31.608 0.571 1
1 506 . 8 1 1 A 46 46 VAL N N 46 118.849 120.149 -1.300 1
1 507 . 8 1 1 A 47 47 VAL H H 47 7.429 7.739 -0.310 1
1 508 . 8 1 1 A 47 47 VAL HA H 47 3.633 3.611 0.022 1
1 516 . 8 1 1 A 47 47 VAL C C 47 177.698 178.337 -0.639 1
1 517 . 8 1 1 A 47 47 VAL CA C 47 67.413 66.653 0.760 1
1 518 . 8 1 1 A 47 47 VAL CB C 47 32.258 31.531 0.727 1
1 521 . 8 1 1 A 47 47 VAL N N 47 120.616 120.676 -0.060 1
1 522 . 8 1 1 A 48 48 LYS H H 48 9.110 7.884 1.226 1
1 523 . 8 1 1 A 48 48 LYS HA H 48 4.005 4.074 -0.069 1
1 531 . 8 1 1 A 48 48 LYS C C 48 178.717 179.168 -0.451 1
1 532 . 8 1 1 A 48 48 LYS CA C 48 60.749 60.602 0.147 1
1 533 . 8 1 1 A 48 48 LYS CB C 48 33.140 32.533 0.607 1
1 537 . 8 1 1 A 48 48 LYS N N 48 119.748 119.098 0.650 1
1 538 . 8 1 1 A 49 49 LYS H H 49 7.901 8.112 -0.211 1
1 539 . 8 1 1 A 49 49 LYS HA H 49 4.116 4.017 0.099 1
1 547 . 8 1 1 A 49 49 LYS C C 49 178.863 178.691 0.172 1
1 548 . 8 1 1 A 49 49 LYS CA C 49 59.087 59.514 -0.427 1
1 549 . 8 1 1 A 49 49 LYS CB C 49 32.085 32.220 -0.135 1
1 553 . 8 1 1 A 49 49 LYS N N 49 117.787 119.232 -1.445 1
1 554 . 8 1 1 A 50 50 TRP H H 50 8.060 7.827 0.233 1
1 555 . 8 1 1 A 50 50 TRP HA H 50 4.089 4.144 -0.055 1
1 564 . 8 1 1 A 50 50 TRP C C 50 178.547 177.891 0.656 1
1 565 . 8 1 1 A 50 50 TRP CA C 50 62.575 60.696 1.879 1
1 566 . 8 1 1 A 50 50 TRP CB C 50 28.755 29.621 -0.866 1
1 572 . 8 1 1 A 50 50 TRP N N 50 121.102 121.418 -0.316 1
1 574 . 8 1 1 A 51 51 PHE H H 51 8.695 8.199 0.496 1
1 575 . 8 1 1 A 51 51 PHE HA H 51 3.750 4.180 -0.430 1
1 583 . 8 1 1 A 51 51 PHE C C 51 178.620 178.291 0.329 1
1 584 . 8 1 1 A 51 51 PHE CA C 51 63.542 62.019 1.523 1
1 585 . 8 1 1 A 51 51 PHE CB C 51 39.112 38.902 0.210 1
1 591 . 8 1 1 A 51 51 PHE N N 51 118.773 118.090 0.683 1
1 592 . 8 1 1 A 52 52 GLU H H 52 8.399 8.438 -0.039 1
1 593 . 8 1 1 A 52 52 GLU HA H 52 4.077 3.906 0.171 1
1 598 . 8 1 1 A 52 52 GLU C C 52 179.834 179.557 0.277 1
1 599 . 8 1 1 A 52 52 GLU CA C 52 59.657 60.134 -0.477 1
1 600 . 8 1 1 A 52 52 GLU CB C 52 29.561 29.096 0.465 1
1 602 . 8 1 1 A 52 52 GLU N N 52 118.518 118.261 0.257 1
1 603 . 8 1 1 A 53 53 LYS H H 53 7.957 7.901 0.056 1
1 604 . 8 1 1 A 53 53 LYS HA H 53 3.981 3.924 0.057 1
1 612 . 8 1 1 A 53 53 LYS C C 53 179.349 178.582 0.767 1
1 613 . 8 1 1 A 53 53 LYS CA C 53 59.087 59.035 0.052 1
1 614 . 8 1 1 A 53 53 LYS CB C 53 32.091 32.204 -0.113 1
1 618 . 8 1 1 A 53 53 LYS N N 53 120.286 120.190 0.096 1
1 619 . 8 1 1 A 54 54 MET H H 54 7.762 8.017 -0.255 1
1 620 . 8 1 1 A 54 54 MET HA H 54 3.853 3.741 0.112 1
1 626 . 8 1 1 A 54 54 MET C C 54 179.349 177.807 1.542 1
1 627 . 8 1 1 A 54 54 MET CA C 54 57.071 57.819 -0.748 1
1 628 . 8 1 1 A 54 54 MET CB C 54 31.158 31.265 -0.107 1
1 631 . 8 1 1 A 54 54 MET N N 54 119.874 118.566 1.308 1
1 632 . 8 1 1 A 55 55 GLN H H 55 8.284 8.345 -0.061 1
1 633 . 8 1 1 A 55 55 GLN HA H 55 4.172 4.208 -0.036 1
1 640 . 8 1 1 A 55 55 GLN C C 55 178.013 177.711 0.302 1
1 641 . 8 1 1 A 55 55 GLN CA C 55 57.906 58.824 -0.918 1
1 642 . 8 1 1 A 55 55 GLN CB C 55 28.308 28.238 0.070 1
1 644 . 8 1 1 A 55 55 GLN N N 55 119.171 117.612 1.559 1
1 646 . 8 1 1 A 56 56 ALA H H 56 7.665 7.463 0.202 1
1 647 . 8 1 1 A 56 56 ALA HA H 56 4.289 4.313 -0.024 1
1 651 . 8 1 1 A 56 56 ALA C C 56 178.572 177.556 1.016 1
1 652 . 8 1 1 A 56 56 ALA CA C 56 53.041 52.240 0.801 1
1 653 . 8 1 1 A 56 56 ALA CB C 56 18.784 19.538 -0.754 1
1 654 . 8 1 1 A 56 56 ALA N N 56 120.252 119.239 1.013 1
1 655 . 8 1 1 A 57 57 GLY H H 57 7.802 7.631 0.171 1
1 656 . 8 1 1 A 57 57 GLY HA2 H 57 3.945 3.910 0.035 1
1 657 . 8 1 1 A 57 57 GLY HA3 H 57 3.945 3.930 0.015 1
1 658 . 8 1 1 A 57 57 GLY C C 57 174.809 175.843 -1.034 1
1 659 . 8 1 1 A 57 57 GLY CA C 57 45.748 45.384 0.364 1
1 660 . 8 1 1 A 57 57 GLY N N 57 106.361 106.082 0.279 1
1 661 . 8 1 1 A 58 58 GLN H H 58 7.961 7.957 0.004 1
1 662 . 8 1 1 A 58 58 GLN HA H 58 4.280 4.008 0.272 1
1 669 . 8 1 1 A 58 58 GLN C C 58 175.877 176.679 -0.802 1
1 670 . 8 1 1 A 58 58 GLN CA C 58 55.890 58.225 -2.335 1
1 671 . 8 1 1 A 58 58 GLN CB C 58 29.211 28.510 0.701 1
1 673 . 8 1 1 A 58 58 GLN N N 58 118.690 119.003 -0.313 1
1 675 . 8 1 1 A 59 59 ILE H H 59 7.828 7.788 0.040 1
1 676 . 8 1 1 A 59 59 ILE HA H 59 4.178 4.123 0.055 1
1 686 . 8 1 1 A 59 59 ILE C C 59 175.950 175.221 0.729 1
1 687 . 8 1 1 A 59 59 ILE CA C 59 60.796 60.411 0.385 1
1 688 . 8 1 1 A 59 59 ILE CB C 59 38.884 37.582 1.302 1
1 692 . 8 1 1 A 59 59 ILE N N 59 119.986 120.594 -0.608 1
1 693 . 8 1 1 A 60 60 SER H H 60 8.358 8.659 -0.301 1
1 694 . 8 1 1 A 60 60 SER HA H 60 4.485 4.324 0.161 1
1 697 . 8 1 1 A 60 60 SER C C 60 174.542 174.203 0.339 1
1 698 . 8 1 1 A 60 60 SER CA C 60 58.000 58.877 -0.877 1
1 699 . 8 1 1 A 60 60 SER CB C 60 63.869 63.626 0.243 1
1 700 . 8 1 1 A 60 60 SER N N 60 119.848 124.241 -4.393 1
1 701 . 8 1 1 A 61 61 VAL H H 61 8.223 8.474 -0.251 1
1 702 . 8 1 1 A 61 61 VAL HA H 61 4.132 4.909 -0.777 1
1 710 . 8 1 1 A 61 61 VAL C C 61 176.023 174.759 1.264 1
1 711 . 8 1 1 A 61 61 VAL CA C 61 62.254 60.686 1.568 1
1 712 . 8 1 1 A 61 61 VAL CB C 61 32.702 34.959 -2.257 1
1 715 . 8 1 1 A 61 61 VAL N N 61 121.796 123.940 -2.144 1
1 716 . 8 1 1 A 62 62 GLN H H 62 8.405 8.882 -0.477 1
1 717 . 8 1 1 A 62 62 GLN HA H 62 4.389 4.983 -0.594 1
1 724 . 8 1 1 A 62 62 GLN C C 62 175.901 174.832 1.069 1
1 725 . 8 1 1 A 62 62 GLN CA C 62 55.792 54.304 1.488 1
1 726 . 8 1 1 A 62 62 GLN CB C 62 29.530 32.666 -3.136 1
1 728 . 8 1 1 A 62 62 GLN N N 62 123.728 127.248 -3.520 1
1 730 . 8 1 1 A 63 63 SER H H 63 8.396 8.862 -0.466 1
1 731 . 8 1 1 A 63 63 SER HA H 63 4.482 4.568 -0.086 1
1 734 . 8 1 1 A 63 63 SER C C 63 173.668 175.375 -1.707 1
1 735 . 8 1 1 A 63 63 SER CA C 63 58.445 58.442 0.003 1
1 736 . 8 1 1 A 63 63 SER CB C 63 63.964 63.867 0.097 1
1 737 . 8 1 1 A 63 63 SER N N 63 118.100 122.413 -4.313 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.502 4.657 -0.155 1
1 4 . 9 1 1 A 6 6 SER C C 6 175.076 174.604 0.472 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.733 58.396 0.337 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.809 64.178 -0.369 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.416 8.640 -0.224 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.966 4.040 -0.074 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.966 4.040 -0.074 1
1 10 . 9 1 1 A 7 7 GLY C C 7 173.813 172.430 1.383 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.226 45.157 0.069 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.646 112.349 -1.703 1
1 13 . 9 1 1 A 8 8 GLN H H 8 8.187 9.070 -0.883 1
1 14 . 9 1 1 A 8 8 GLN HA H 8 4.656 4.937 -0.281 1
1 21 . 9 1 1 A 8 8 GLN C C 8 173.741 172.838 0.903 1
1 22 . 9 1 1 A 8 8 GLN CA C 8 53.677 53.371 0.306 1
1 23 . 9 1 1 A 8 8 GLN CB C 8 29.079 32.058 -2.979 1
1 25 . 9 1 1 A 8 8 GLN N N 8 120.767 119.999 0.768 1
1 27 . 9 1 1 A 9 9 PRO HA H 9 4.723 4.644 0.079 1
1 34 . 9 1 1 A 9 9 PRO CB C 9 27.766 31.617 -3.851 1
1 37 . 9 1 1 A 10 10 PRO HA H 10 4.444 4.558 -0.114 1
1 43 . 9 1 1 A 10 10 PRO C C 10 177.309 176.574 0.735 1
1 44 . 9 1 1 A 10 10 PRO CA C 10 63.083 62.218 0.865 1
1 45 . 9 1 1 A 10 10 PRO CB C 10 31.881 32.713 -0.832 1
1 48 . 9 1 1 A 11 11 LEU H H 11 8.323 8.289 0.034 1
1 49 . 9 1 1 A 11 11 LEU HA H 11 4.105 4.527 -0.422 1
1 59 . 9 1 1 A 11 11 LEU C C 11 178.232 178.623 -0.391 1
1 60 . 9 1 1 A 11 11 LEU CA C 11 56.572 53.350 3.222 1
1 61 . 9 1 1 A 11 11 LEU CB C 11 42.000 43.886 -1.886 1
1 64 . 9 1 1 A 11 11 LEU N N 11 122.449 119.867 2.582 1
1 65 . 9 1 1 A 12 12 LYS H H 12 8.319 8.875 -0.556 1
1 66 . 9 1 1 A 12 12 LYS HA H 12 3.986 4.067 -0.081 1
1 73 . 9 1 1 A 12 12 LYS C C 12 177.722 178.618 -0.896 1
1 74 . 9 1 1 A 12 12 LYS CA C 12 58.842 58.874 -0.032 1
1 75 . 9 1 1 A 12 12 LYS CB C 12 32.388 31.873 0.515 1
1 79 . 9 1 1 A 12 12 LYS N N 12 118.575 118.347 0.228 1
1 80 . 9 1 1 A 13 13 ASN H H 13 8.076 8.405 -0.329 1
1 81 . 9 1 1 A 13 13 ASN HA H 13 4.597 4.436 0.161 1
1 86 . 9 1 1 A 13 13 ASN C C 13 176.702 177.178 -0.476 1
1 87 . 9 1 1 A 13 13 ASN CA C 13 54.525 56.463 -1.938 1
1 88 . 9 1 1 A 13 13 ASN CB C 13 38.035 39.831 -1.796 1
1 89 . 9 1 1 A 13 13 ASN N N 13 117.381 118.498 -1.117 1
1 91 . 9 1 1 A 14 14 LEU H H 14 7.948 8.340 -0.392 1
1 92 . 9 1 1 A 14 14 LEU HA H 14 4.099 3.908 0.191 1
1 102 . 9 1 1 A 14 14 LEU C C 14 177.868 178.176 -0.308 1
1 103 . 9 1 1 A 14 14 LEU CA C 14 56.861 57.764 -0.903 1
1 104 . 9 1 1 A 14 14 LEU CB C 14 42.012 41.996 0.016 1
1 108 . 9 1 1 A 14 14 LEU N N 14 121.775 120.317 1.458 1
1 109 . 9 1 1 A 15 15 LEU H H 15 7.996 7.927 0.069 1
1 110 . 9 1 1 A 15 15 LEU HA H 15 3.705 3.883 -0.178 1
1 120 . 9 1 1 A 15 15 LEU C C 15 178.887 179.165 -0.278 1
1 121 . 9 1 1 A 15 15 LEU CA C 15 58.201 57.895 0.306 1
1 122 . 9 1 1 A 15 15 LEU CB C 15 41.067 41.510 -0.443 1
1 126 . 9 1 1 A 15 15 LEU N N 15 119.072 117.180 1.892 1
1 127 . 9 1 1 A 16 16 SER H H 16 7.968 7.700 0.268 1
1 128 . 9 1 1 A 16 16 SER HA H 16 4.064 4.081 -0.017 1
1 131 . 9 1 1 A 16 16 SER C C 16 176.897 176.296 0.601 1
1 132 . 9 1 1 A 16 16 SER CA C 16 61.915 62.472 -0.557 1
1 133 . 9 1 1 A 16 16 SER CB C 16 62.496 62.795 -0.299 1
1 134 . 9 1 1 A 16 16 SER N N 16 113.400 116.512 -3.112 1
1 135 . 9 1 1 A 17 17 LEU H H 17 7.487 8.486 -0.999 1
1 136 . 9 1 1 A 17 17 LEU HA H 17 3.980 3.857 0.123 1
1 140 . 9 1 1 A 17 17 LEU C C 17 178.547 179.056 -0.509 1
1 141 . 9 1 1 A 17 17 LEU CA C 17 58.205 58.204 0.001 1
1 142 . 9 1 1 A 17 17 LEU CB C 17 41.973 42.095 -0.122 1
1 143 . 9 1 1 A 17 17 LEU N N 17 122.840 120.629 2.211 1
1 144 . 9 1 1 A 18 18 LEU H H 18 7.950 8.027 -0.077 1
1 145 . 9 1 1 A 18 18 LEU HA H 18 3.982 3.644 0.338 1
1 154 . 9 1 1 A 18 18 LEU C C 18 178.645 178.493 0.152 1
1 155 . 9 1 1 A 18 18 LEU CA C 18 58.203 57.922 0.281 1
1 156 . 9 1 1 A 18 18 LEU CB C 18 38.932 41.007 -2.075 1
1 160 . 9 1 1 A 18 18 LEU N N 18 118.407 117.399 1.008 1
1 161 . 9 1 1 A 19 19 LYS H H 19 8.352 7.863 0.489 1
1 162 . 9 1 1 A 19 19 LYS HA H 19 4.051 4.040 0.011 1
1 169 . 9 1 1 A 19 19 LYS C C 19 178.960 178.397 0.563 1
1 170 . 9 1 1 A 19 19 LYS CA C 19 60.537 59.671 0.866 1
1 171 . 9 1 1 A 19 19 LYS CB C 19 32.332 32.623 -0.291 1
1 175 . 9 1 1 A 19 19 LYS N N 19 118.242 118.505 -0.263 1
1 176 . 9 1 1 A 20 20 ALA H H 20 7.717 7.797 -0.080 1
1 177 . 9 1 1 A 20 20 ALA HA H 20 4.202 4.093 0.109 1
1 181 . 9 1 1 A 20 20 ALA C C 20 180.732 179.747 0.985 1
1 182 . 9 1 1 A 20 20 ALA CA C 20 54.879 55.313 -0.434 1
1 183 . 9 1 1 A 20 20 ALA CB C 20 17.608 18.582 -0.974 1
1 184 . 9 1 1 A 20 20 ALA N N 20 122.505 121.511 0.994 1
1 185 . 9 1 1 A 21 21 TYR HA H 21 4.236 4.298 -0.062 1
1 192 . 9 1 1 A 21 21 TYR C C 21 178.839 178.736 0.103 1
1 193 . 9 1 1 A 21 21 TYR CA C 21 63.047 61.019 2.028 1
1 194 . 9 1 1 A 21 21 TYR CB C 21 38.388 38.554 -0.166 1
1 199 . 9 1 1 A 22 22 TYR H H 22 8.857 7.899 0.958 1
1 200 . 9 1 1 A 22 22 TYR HA H 22 4.305 4.926 -0.621 1
1 207 . 9 1 1 A 22 22 TYR C C 22 176.338 178.153 -1.815 1
1 208 . 9 1 1 A 22 22 TYR CA C 22 61.389 61.570 -0.181 1
1 209 . 9 1 1 A 22 22 TYR CB C 22 38.790 39.273 -0.483 1
1 214 . 9 1 1 A 22 22 TYR N N 22 122.639 120.705 1.934 1
1 215 . 9 1 1 A 23 23 ALA H H 23 7.762 8.348 -0.586 1
1 216 . 9 1 1 A 23 23 ALA HA H 23 4.047 3.881 0.166 1
1 220 . 9 1 1 A 23 23 ALA C C 23 179.179 179.171 0.008 1
1 221 . 9 1 1 A 23 23 ALA CA C 23 53.906 55.166 -1.260 1
1 222 . 9 1 1 A 23 23 ALA CB C 23 18.328 18.318 0.010 1
1 223 . 9 1 1 A 23 23 ALA N N 23 117.361 121.761 -4.400 1
1 224 . 9 1 1 A 24 24 LEU H H 24 7.267 7.526 -0.259 1
1 225 . 9 1 1 A 24 24 LEU HA H 24 4.210 4.377 -0.167 1
1 235 . 9 1 1 A 24 24 LEU C C 24 177.673 176.329 1.344 1
1 236 . 9 1 1 A 24 24 LEU CA C 24 56.382 56.206 0.176 1
1 237 . 9 1 1 A 24 24 LEU CB C 24 42.933 42.663 0.270 1
1 241 . 9 1 1 A 24 24 LEU N N 24 117.259 112.940 4.319 1
1 242 . 9 1 1 A 25 25 ASN H H 25 7.862 8.180 -0.318 1
1 243 . 9 1 1 A 25 25 ASN HA H 25 4.466 4.913 -0.447 1
1 248 . 9 1 1 A 25 25 ASN C C 25 173.036 175.523 -2.487 1
1 249 . 9 1 1 A 25 25 ASN CA C 25 53.077 52.144 0.933 1
1 250 . 9 1 1 A 25 25 ASN CB C 25 37.853 39.371 -1.518 1
1 251 . 9 1 1 A 25 25 ASN N N 25 116.521 118.572 -2.051 1
1 253 . 9 1 1 A 26 26 ALA H H 26 8.283 8.776 -0.493 1
1 254 . 9 1 1 A 26 26 ALA HA H 26 3.905 4.213 -0.308 1
1 258 . 9 1 1 A 26 26 ALA C C 26 177.212 178.055 -0.843 1
1 259 . 9 1 1 A 26 26 ALA CA C 26 53.323 54.689 -1.366 1
1 260 . 9 1 1 A 26 26 ALA CB C 26 19.548 19.468 0.080 1
1 261 . 9 1 1 A 26 26 ALA N N 26 126.202 129.080 -2.878 1
1 262 . 9 1 1 A 27 27 GLN H H 27 7.729 7.960 -0.231 1
1 263 . 9 1 1 A 27 27 GLN HA H 27 4.619 4.653 -0.034 1
1 270 . 9 1 1 A 27 27 GLN C C 27 172.090 174.040 -1.950 1
1 271 . 9 1 1 A 27 27 GLN CA C 27 52.706 53.035 -0.329 1
1 272 . 9 1 1 A 27 27 GLN CB C 27 29.636 28.640 0.996 1
1 274 . 9 1 1 A 27 27 GLN N N 27 113.721 113.984 -0.263 1
1 276 . 9 1 1 A 28 28 PRO HA H 28 4.485 4.550 -0.065 1
1 283 . 9 1 1 A 28 28 PRO C C 28 177.018 176.680 0.338 1
1 284 . 9 1 1 A 28 28 PRO CA C 28 62.562 62.524 0.038 1
1 285 . 9 1 1 A 28 28 PRO CB C 28 31.813 31.831 -0.018 1
1 288 . 9 1 1 A 29 29 SER H H 29 9.097 8.274 0.823 1
1 289 . 9 1 1 A 29 29 SER HA H 29 4.398 4.582 -0.184 1
1 292 . 9 1 1 A 29 29 SER C C 29 174.372 175.601 -1.229 1
1 293 . 9 1 1 A 29 29 SER CA C 29 56.986 56.830 0.156 1
1 294 . 9 1 1 A 29 29 SER CB C 29 65.661 65.801 -0.140 1
1 295 . 9 1 1 A 29 29 SER N N 29 118.156 114.872 3.284 1
1 296 . 9 1 1 A 30 30 ALA H H 30 8.916 8.917 -0.001 1
1 297 . 9 1 1 A 30 30 ALA HA H 30 3.965 3.997 -0.032 1
1 301 . 9 1 1 A 30 30 ALA C C 30 180.732 179.959 0.773 1
1 302 . 9 1 1 A 30 30 ALA CA C 30 56.044 55.375 0.669 1
1 303 . 9 1 1 A 30 30 ALA CB C 30 17.925 18.303 -0.378 1
1 304 . 9 1 1 A 30 30 ALA N N 30 123.162 123.498 -0.336 1
1 305 . 9 1 1 A 31 31 GLU H H 31 8.591 8.074 0.517 1
1 306 . 9 1 1 A 31 31 GLU HA H 31 4.011 3.997 0.014 1
1 310 . 9 1 1 A 31 31 GLU C C 31 179.519 178.834 0.685 1
1 311 . 9 1 1 A 31 31 GLU CA C 31 59.788 59.570 0.218 1
1 312 . 9 1 1 A 31 31 GLU CB C 31 29.349 29.400 -0.051 1
1 314 . 9 1 1 A 31 31 GLU N N 31 118.280 117.962 0.318 1
1 315 . 9 1 1 A 32 32 GLU H H 32 7.702 8.060 -0.358 1
1 316 . 9 1 1 A 32 32 GLU HA H 32 3.844 4.240 -0.396 1
1 320 . 9 1 1 A 32 32 GLU C C 32 179.446 178.735 0.711 1
1 321 . 9 1 1 A 32 32 GLU CA C 32 59.408 58.609 0.799 1
1 322 . 9 1 1 A 32 32 GLU CB C 32 29.829 30.089 -0.260 1
1 324 . 9 1 1 A 32 32 GLU N N 32 121.025 119.629 1.396 1
1 325 . 9 1 1 A 33 33 LEU H H 33 8.679 8.522 0.157 1
1 326 . 9 1 1 A 33 33 LEU HA H 33 3.645 3.877 -0.232 1
1 336 . 9 1 1 A 33 33 LEU C C 33 178.378 179.231 -0.853 1
1 337 . 9 1 1 A 33 33 LEU CA C 33 58.218 58.003 0.215 1
1 338 . 9 1 1 A 33 33 LEU CB C 33 42.339 41.398 0.941 1
1 342 . 9 1 1 A 33 33 LEU N N 33 119.993 121.105 -1.112 1
1 343 . 9 1 1 A 34 34 SER H H 34 7.727 8.017 -0.290 1
1 344 . 9 1 1 A 34 34 SER HA H 34 4.116 4.086 0.030 1
1 347 . 9 1 1 A 34 34 SER C C 34 176.484 177.407 -0.923 1
1 348 . 9 1 1 A 34 34 SER CA C 34 62.063 61.346 0.717 1
1 349 . 9 1 1 A 34 34 SER CB C 34 62.725 62.793 -0.068 1
1 350 . 9 1 1 A 34 34 SER N N 34 113.341 113.700 -0.359 1
1 351 . 9 1 1 A 35 35 LYS H H 35 7.525 8.070 -0.545 1
1 352 . 9 1 1 A 35 35 LYS HA H 35 4.122 3.966 0.156 1
1 361 . 9 1 1 A 35 35 LYS C C 35 180.368 179.554 0.814 1
1 362 . 9 1 1 A 35 35 LYS CA C 35 59.502 59.479 0.023 1
1 363 . 9 1 1 A 35 35 LYS CB C 35 32.414 32.379 0.035 1
1 367 . 9 1 1 A 35 35 LYS N N 35 120.812 121.500 -0.688 1
1 368 . 9 1 1 A 36 36 ILE H H 36 8.219 7.894 0.325 1
1 369 . 9 1 1 A 36 36 ILE HA H 36 3.280 3.395 -0.115 1
1 379 . 9 1 1 A 36 36 ILE C C 36 178.159 177.732 0.427 1
1 380 . 9 1 1 A 36 36 ILE CA C 36 65.794 65.174 0.620 1
1 381 . 9 1 1 A 36 36 ILE CB C 36 38.008 37.260 0.748 1
1 385 . 9 1 1 A 36 36 ILE N N 36 122.240 120.378 1.862 1
1 386 . 9 1 1 A 37 37 ALA H H 37 8.438 8.101 0.337 1
1 387 . 9 1 1 A 37 37 ALA HA H 37 3.862 3.949 -0.087 1
1 391 . 9 1 1 A 37 37 ALA C C 37 179.276 178.707 0.569 1
1 392 . 9 1 1 A 37 37 ALA CA C 37 56.223 55.366 0.857 1
1 393 . 9 1 1 A 37 37 ALA CB C 37 17.186 17.988 -0.802 1
1 394 . 9 1 1 A 37 37 ALA N N 37 122.058 122.405 -0.347 1
1 395 . 9 1 1 A 38 38 ASP H H 38 8.072 8.381 -0.309 1
1 396 . 9 1 1 A 38 38 ASP HA H 38 4.495 4.406 0.089 1
1 399 . 9 1 1 A 38 38 ASP C C 38 178.984 177.865 1.119 1
1 400 . 9 1 1 A 38 38 ASP CA C 38 56.857 57.002 -0.145 1
1 401 . 9 1 1 A 38 38 ASP CB C 38 40.813 41.738 -0.925 1
1 402 . 9 1 1 A 38 38 ASP N N 38 115.894 118.162 -2.268 1
1 403 . 9 1 1 A 39 39 SER H H 39 7.954 7.602 0.352 1
1 404 . 9 1 1 A 39 39 SER HA H 39 4.247 4.335 -0.088 1
1 406 . 9 1 1 A 39 39 SER C C 39 175.610 176.272 -0.662 1
1 407 . 9 1 1 A 39 39 SER CA C 39 61.580 61.991 -0.411 1
1 408 . 9 1 1 A 39 39 SER CB C 39 63.373 63.503 -0.130 1
1 409 . 9 1 1 A 39 39 SER N N 39 114.432 116.147 -1.715 1
1 410 . 9 1 1 A 40 40 VAL H H 40 7.850 7.372 0.478 1
1 411 . 9 1 1 A 40 40 VAL HA H 40 4.456 4.225 0.231 1
1 419 . 9 1 1 A 40 40 VAL C C 40 174.445 175.989 -1.544 1
1 420 . 9 1 1 A 40 40 VAL CA C 40 60.913 61.429 -0.516 1
1 421 . 9 1 1 A 40 40 VAL CB C 40 31.778 31.261 0.517 1
1 424 . 9 1 1 A 40 40 VAL N N 40 111.349 115.271 -3.922 1
1 425 . 9 1 1 A 41 41 ASN H H 41 7.804 8.077 -0.273 1
1 426 . 9 1 1 A 41 41 ASN HA H 41 4.348 4.331 0.017 1
1 431 . 9 1 1 A 41 41 ASN C C 41 174.008 173.648 0.360 1
1 432 . 9 1 1 A 41 41 ASN CA C 41 54.066 54.085 -0.019 1
1 433 . 9 1 1 A 41 41 ASN CB C 41 37.225 37.482 -0.257 1
1 434 . 9 1 1 A 41 41 ASN N N 41 117.410 119.463 -2.053 1
1 436 . 9 1 1 A 42 42 LEU H H 42 7.904 7.938 -0.034 1
1 437 . 9 1 1 A 42 42 LEU HA H 42 5.001 4.786 0.215 1
1 447 . 9 1 1 A 42 42 LEU C C 42 173.886 174.016 -0.130 1
1 448 . 9 1 1 A 42 42 LEU CA C 42 51.484 51.417 0.067 1
1 449 . 9 1 1 A 42 42 LEU CB C 42 45.928 44.794 1.134 1
1 453 . 9 1 1 A 42 42 LEU N N 42 117.347 118.665 -1.318 1
1 454 . 9 1 1 A 43 43 PRO HA H 43 4.423 4.545 -0.122 1
1 461 . 9 1 1 A 43 43 PRO C C 43 178.013 176.705 1.308 1
1 462 . 9 1 1 A 43 43 PRO CA C 43 62.234 62.284 -0.050 1
1 463 . 9 1 1 A 43 43 PRO CB C 43 32.616 33.558 -0.942 1
1 466 . 9 1 1 A 44 44 LEU H H 44 8.758 8.867 -0.109 1
1 467 . 9 1 1 A 44 44 LEU HA H 44 3.780 4.208 -0.428 1
1 477 . 9 1 1 A 44 44 LEU C C 44 178.208 178.083 0.125 1
1 478 . 9 1 1 A 44 44 LEU CA C 44 58.592 57.005 1.587 1
1 479 . 9 1 1 A 44 44 LEU CB C 44 41.747 41.864 -0.117 1
1 483 . 9 1 1 A 44 44 LEU N N 44 125.847 122.342 3.505 1
1 484 . 9 1 1 A 45 45 ASP H H 45 8.822 8.250 0.572 1
1 485 . 9 1 1 A 45 45 ASP HA H 45 4.270 4.395 -0.125 1
1 488 . 9 1 1 A 45 45 ASP C C 45 178.523 178.297 0.226 1
1 489 . 9 1 1 A 45 45 ASP CA C 45 57.621 57.123 0.498 1
1 490 . 9 1 1 A 45 45 ASP CB C 45 40.612 40.390 0.222 1
1 491 . 9 1 1 A 45 45 ASP N N 45 114.687 118.666 -3.979 1
1 492 . 9 1 1 A 46 46 VAL H H 46 7.098 7.982 -0.884 1
1 493 . 9 1 1 A 46 46 VAL HA H 46 3.707 3.621 0.086 1
1 501 . 9 1 1 A 46 46 VAL C C 46 178.353 178.612 -0.259 1
1 502 . 9 1 1 A 46 46 VAL CA C 46 65.770 66.631 -0.861 1
1 503 . 9 1 1 A 46 46 VAL CB C 46 32.179 31.595 0.584 1
1 506 . 9 1 1 A 46 46 VAL N N 46 118.849 119.881 -1.032 1
1 507 . 9 1 1 A 47 47 VAL H H 47 7.429 7.763 -0.334 1
1 508 . 9 1 1 A 47 47 VAL HA H 47 3.633 3.624 0.009 1
1 516 . 9 1 1 A 47 47 VAL C C 47 177.698 178.367 -0.669 1
1 517 . 9 1 1 A 47 47 VAL CA C 47 67.413 66.583 0.830 1
1 518 . 9 1 1 A 47 47 VAL CB C 47 32.258 31.585 0.673 1
1 521 . 9 1 1 A 47 47 VAL N N 47 120.616 120.479 0.137 1
1 522 . 9 1 1 A 48 48 LYS H H 48 9.110 8.012 1.098 1
1 523 . 9 1 1 A 48 48 LYS HA H 48 4.005 4.073 -0.068 1
1 531 . 9 1 1 A 48 48 LYS C C 48 178.717 179.573 -0.856 1
1 532 . 9 1 1 A 48 48 LYS CA C 48 60.749 60.576 0.173 1
1 533 . 9 1 1 A 48 48 LYS CB C 48 33.140 32.353 0.787 1
1 537 . 9 1 1 A 48 48 LYS N N 48 119.748 119.193 0.555 1
1 538 . 9 1 1 A 49 49 LYS H H 49 7.901 8.057 -0.156 1
1 539 . 9 1 1 A 49 49 LYS HA H 49 4.116 4.042 0.074 1
1 547 . 9 1 1 A 49 49 LYS C C 49 178.863 178.796 0.067 1
1 548 . 9 1 1 A 49 49 LYS CA C 49 59.087 59.348 -0.261 1
1 549 . 9 1 1 A 49 49 LYS CB C 49 32.085 32.192 -0.107 1
1 553 . 9 1 1 A 49 49 LYS N N 49 117.787 119.440 -1.653 1
1 554 . 9 1 1 A 50 50 TRP H H 50 8.060 7.830 0.230 1
1 555 . 9 1 1 A 50 50 TRP HA H 50 4.089 4.192 -0.103 1
1 564 . 9 1 1 A 50 50 TRP C C 50 178.547 177.998 0.549 1
1 565 . 9 1 1 A 50 50 TRP CA C 50 62.575 60.666 1.909 1
1 566 . 9 1 1 A 50 50 TRP CB C 50 28.755 29.646 -0.891 1
1 572 . 9 1 1 A 50 50 TRP N N 50 121.102 121.394 -0.292 1
1 574 . 9 1 1 A 51 51 PHE H H 51 8.695 8.290 0.405 1
1 575 . 9 1 1 A 51 51 PHE HA H 51 3.750 4.005 -0.255 1
1 583 . 9 1 1 A 51 51 PHE C C 51 178.620 178.202 0.418 1
1 584 . 9 1 1 A 51 51 PHE CA C 51 63.542 61.941 1.601 1
1 585 . 9 1 1 A 51 51 PHE CB C 51 39.112 38.743 0.369 1
1 591 . 9 1 1 A 51 51 PHE N N 51 118.773 118.116 0.657 1
1 592 . 9 1 1 A 52 52 GLU H H 52 8.399 8.258 0.141 1
1 593 . 9 1 1 A 52 52 GLU HA H 52 4.077 3.877 0.200 1
1 598 . 9 1 1 A 52 52 GLU C C 52 179.834 179.351 0.483 1
1 599 . 9 1 1 A 52 52 GLU CA C 52 59.657 60.131 -0.474 1
1 600 . 9 1 1 A 52 52 GLU CB C 52 29.561 29.091 0.470 1
1 602 . 9 1 1 A 52 52 GLU N N 52 118.518 118.202 0.316 1
1 603 . 9 1 1 A 53 53 LYS H H 53 7.957 7.829 0.128 1
1 604 . 9 1 1 A 53 53 LYS HA H 53 3.981 3.898 0.083 1
1 612 . 9 1 1 A 53 53 LYS C C 53 179.349 178.699 0.650 1
1 613 . 9 1 1 A 53 53 LYS CA C 53 59.087 59.003 0.084 1
1 614 . 9 1 1 A 53 53 LYS CB C 53 32.091 32.227 -0.136 1
1 618 . 9 1 1 A 53 53 LYS N N 53 120.286 120.140 0.146 1
1 619 . 9 1 1 A 54 54 MET H H 54 7.762 7.751 0.011 1
1 620 . 9 1 1 A 54 54 MET HA H 54 3.853 3.696 0.157 1
1 626 . 9 1 1 A 54 54 MET C C 54 179.349 177.803 1.546 1
1 627 . 9 1 1 A 54 54 MET CA C 54 57.071 57.948 -0.877 1
1 628 . 9 1 1 A 54 54 MET CB C 54 31.158 31.247 -0.089 1
1 631 . 9 1 1 A 54 54 MET N N 54 119.874 117.868 2.006 1
1 632 . 9 1 1 A 55 55 GLN H H 55 8.284 8.205 0.079 1
1 633 . 9 1 1 A 55 55 GLN HA H 55 4.172 4.084 0.088 1
1 640 . 9 1 1 A 55 55 GLN C C 55 178.013 177.576 0.437 1
1 641 . 9 1 1 A 55 55 GLN CA C 55 57.906 58.773 -0.867 1
1 642 . 9 1 1 A 55 55 GLN CB C 55 28.308 28.191 0.117 1
1 644 . 9 1 1 A 55 55 GLN N N 55 119.171 117.800 1.371 1
1 646 . 9 1 1 A 56 56 ALA H H 56 7.665 7.005 0.660 1
1 647 . 9 1 1 A 56 56 ALA HA H 56 4.289 4.360 -0.071 1
1 651 . 9 1 1 A 56 56 ALA C C 56 178.572 177.935 0.637 1
1 652 . 9 1 1 A 56 56 ALA CA C 56 53.041 51.828 1.213 1
1 653 . 9 1 1 A 56 56 ALA CB C 56 18.784 19.070 -0.286 1
1 654 . 9 1 1 A 56 56 ALA N N 56 120.252 119.090 1.162 1
1 655 . 9 1 1 A 57 57 GLY H H 57 7.802 8.223 -0.421 1
1 656 . 9 1 1 A 57 57 GLY HA2 H 57 3.945 3.851 0.094 1
1 657 . 9 1 1 A 57 57 GLY HA3 H 57 3.945 3.867 0.078 1
1 658 . 9 1 1 A 57 57 GLY C C 57 174.809 174.714 0.095 1
1 659 . 9 1 1 A 57 57 GLY CA C 57 45.748 46.815 -1.067 1
1 660 . 9 1 1 A 57 57 GLY N N 57 106.361 107.371 -1.010 1
1 661 . 9 1 1 A 58 58 GLN H H 58 7.961 7.973 -0.012 1
1 662 . 9 1 1 A 58 58 GLN HA H 58 4.280 4.322 -0.042 1
1 669 . 9 1 1 A 58 58 GLN C C 58 175.877 176.264 -0.387 1
1 670 . 9 1 1 A 58 58 GLN CA C 58 55.890 56.795 -0.905 1
1 671 . 9 1 1 A 58 58 GLN CB C 58 29.211 29.982 -0.771 1
1 673 . 9 1 1 A 58 58 GLN N N 58 118.690 116.768 1.922 1
1 675 . 9 1 1 A 59 59 ILE H H 59 7.828 7.398 0.430 1
1 676 . 9 1 1 A 59 59 ILE HA H 59 4.178 3.909 0.269 1
1 686 . 9 1 1 A 59 59 ILE C C 59 175.950 175.447 0.503 1
1 687 . 9 1 1 A 59 59 ILE CA C 59 60.796 62.167 -1.371 1
1 688 . 9 1 1 A 59 59 ILE CB C 59 38.884 37.854 1.030 1
1 692 . 9 1 1 A 59 59 ILE N N 59 119.986 121.327 -1.341 1
1 693 . 9 1 1 A 60 60 SER H H 60 8.358 8.655 -0.297 1
1 694 . 9 1 1 A 60 60 SER HA H 60 4.485 4.910 -0.425 1
1 697 . 9 1 1 A 60 60 SER C C 60 174.542 174.385 0.157 1
1 698 . 9 1 1 A 60 60 SER CA C 60 58.000 58.022 -0.022 1
1 699 . 9 1 1 A 60 60 SER CB C 60 63.869 63.503 0.366 1
1 700 . 9 1 1 A 60 60 SER N N 60 119.848 124.350 -4.502 1
1 701 . 9 1 1 A 61 61 VAL H H 61 8.223 8.413 -0.190 1
1 702 . 9 1 1 A 61 61 VAL HA H 61 4.132 4.504 -0.372 1
1 710 . 9 1 1 A 61 61 VAL C C 61 176.023 177.191 -1.168 1
1 711 . 9 1 1 A 61 61 VAL CA C 61 62.254 60.913 1.341 1
1 712 . 9 1 1 A 61 61 VAL CB C 61 32.702 34.131 -1.429 1
1 715 . 9 1 1 A 61 61 VAL N N 61 121.796 125.101 -3.305 1
1 716 . 9 1 1 A 62 62 GLN H H 62 8.405 8.617 -0.212 1
1 717 . 9 1 1 A 62 62 GLN HA H 62 4.389 4.001 0.388 1
1 724 . 9 1 1 A 62 62 GLN C C 62 175.901 176.506 -0.605 1
1 725 . 9 1 1 A 62 62 GLN CA C 62 55.792 59.365 -3.573 1
1 726 . 9 1 1 A 62 62 GLN CB C 62 29.530 28.628 0.902 1
1 728 . 9 1 1 A 62 62 GLN N N 62 123.728 122.565 1.163 1
1 730 . 9 1 1 A 63 63 SER H H 63 8.396 7.898 0.498 1
1 731 . 9 1 1 A 63 63 SER HA H 63 4.482 4.560 -0.078 1
1 734 . 9 1 1 A 63 63 SER C C 63 173.668 174.449 -0.781 1
1 735 . 9 1 1 A 63 63 SER CA C 63 58.445 57.098 1.347 1
1 736 . 9 1 1 A 63 63 SER CB C 63 63.964 64.975 -1.011 1
1 737 . 9 1 1 A 63 63 SER N N 63 118.100 113.878 4.222 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.502 4.593 -0.091 1
1 4 . 10 1 1 A 6 6 SER C C 6 175.076 174.785 0.291 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.733 57.873 0.860 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.809 64.580 -0.771 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.416 8.875 -0.459 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.966 3.990 -0.024 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.966 3.991 -0.025 1
1 10 . 10 1 1 A 7 7 GLY C C 7 173.813 174.512 -0.699 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.226 45.378 -0.152 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.646 110.876 -0.230 1
1 13 . 10 1 1 A 8 8 GLN H H 8 8.187 7.883 0.304 1
1 14 . 10 1 1 A 8 8 GLN HA H 8 4.656 4.457 0.199 1
1 21 . 10 1 1 A 8 8 GLN C C 8 173.741 174.600 -0.859 1
1 22 . 10 1 1 A 8 8 GLN CA C 8 53.677 54.020 -0.343 1
1 23 . 10 1 1 A 8 8 GLN CB C 8 29.079 29.644 -0.565 1
1 25 . 10 1 1 A 8 8 GLN N N 8 120.767 121.789 -1.022 1
1 27 . 10 1 1 A 9 9 PRO HA H 9 4.723 4.702 0.021 1
1 34 . 10 1 1 A 9 9 PRO CB C 9 27.766 31.269 -3.503 1
1 37 . 10 1 1 A 10 10 PRO HA H 10 4.444 4.614 -0.170 1
1 43 . 10 1 1 A 10 10 PRO C C 10 177.309 176.302 1.007 1
1 44 . 10 1 1 A 10 10 PRO CA C 10 63.083 62.203 0.880 1
1 45 . 10 1 1 A 10 10 PRO CB C 10 31.881 32.540 -0.659 1
1 48 . 10 1 1 A 11 11 LEU H H 11 8.323 8.471 -0.148 1
1 49 . 10 1 1 A 11 11 LEU HA H 11 4.105 4.233 -0.128 1
1 59 . 10 1 1 A 11 11 LEU C C 11 178.232 177.760 0.472 1
1 60 . 10 1 1 A 11 11 LEU CA C 11 56.572 55.639 0.933 1
1 61 . 10 1 1 A 11 11 LEU CB C 11 42.000 43.327 -1.327 1
1 64 . 10 1 1 A 11 11 LEU N N 11 122.449 122.955 -0.506 1
1 65 . 10 1 1 A 12 12 LYS H H 12 8.319 8.717 -0.398 1
1 66 . 10 1 1 A 12 12 LYS HA H 12 3.986 4.005 -0.019 1
1 73 . 10 1 1 A 12 12 LYS C C 12 177.722 178.206 -0.484 1
1 74 . 10 1 1 A 12 12 LYS CA C 12 58.842 59.287 -0.445 1
1 75 . 10 1 1 A 12 12 LYS CB C 12 32.388 32.127 0.261 1
1 79 . 10 1 1 A 12 12 LYS N N 12 118.575 124.518 -5.943 1
1 80 . 10 1 1 A 13 13 ASN H H 13 8.076 8.283 -0.207 1
1 81 . 10 1 1 A 13 13 ASN HA H 13 4.597 4.417 0.180 1
1 86 . 10 1 1 A 13 13 ASN C C 13 176.702 177.982 -1.280 1
1 87 . 10 1 1 A 13 13 ASN CA C 13 54.525 56.489 -1.964 1
1 88 . 10 1 1 A 13 13 ASN CB C 13 38.035 37.939 0.096 1
1 89 . 10 1 1 A 13 13 ASN N N 13 117.381 118.126 -0.745 1
1 91 . 10 1 1 A 14 14 LEU H H 14 7.948 8.220 -0.272 1
1 92 . 10 1 1 A 14 14 LEU HA H 14 4.099 3.964 0.135 1
1 102 . 10 1 1 A 14 14 LEU C C 14 177.868 178.524 -0.656 1
1 103 . 10 1 1 A 14 14 LEU CA C 14 56.861 58.639 -1.778 1
1 104 . 10 1 1 A 14 14 LEU CB C 14 42.012 41.679 0.333 1
1 108 . 10 1 1 A 14 14 LEU N N 14 121.775 121.934 -0.159 1
1 109 . 10 1 1 A 15 15 LEU H H 15 7.996 8.015 -0.019 1
1 110 . 10 1 1 A 15 15 LEU HA H 15 3.705 3.850 -0.145 1
1 120 . 10 1 1 A 15 15 LEU C C 15 178.887 179.330 -0.443 1
1 121 . 10 1 1 A 15 15 LEU CA C 15 58.201 57.722 0.479 1
1 122 . 10 1 1 A 15 15 LEU CB C 15 41.067 41.854 -0.787 1
1 126 . 10 1 1 A 15 15 LEU N N 15 119.072 119.528 -0.456 1
1 127 . 10 1 1 A 16 16 SER H H 16 7.968 8.212 -0.244 1
1 128 . 10 1 1 A 16 16 SER HA H 16 4.064 4.256 -0.192 1
1 131 . 10 1 1 A 16 16 SER C C 16 176.897 177.090 -0.193 1
1 132 . 10 1 1 A 16 16 SER CA C 16 61.915 61.114 0.801 1
1 133 . 10 1 1 A 16 16 SER CB C 16 62.496 62.877 -0.381 1
1 134 . 10 1 1 A 16 16 SER N N 16 113.400 114.765 -1.365 1
1 135 . 10 1 1 A 17 17 LEU H H 17 7.487 8.145 -0.658 1
1 136 . 10 1 1 A 17 17 LEU HA H 17 3.980 3.959 0.021 1
1 140 . 10 1 1 A 17 17 LEU C C 17 178.547 179.334 -0.787 1
1 141 . 10 1 1 A 17 17 LEU CA C 17 58.205 57.374 0.831 1
1 142 . 10 1 1 A 17 17 LEU CB C 17 41.973 41.448 0.525 1
1 143 . 10 1 1 A 17 17 LEU N N 17 122.840 121.395 1.445 1
1 144 . 10 1 1 A 18 18 LEU H H 18 7.950 6.885 1.065 1
1 145 . 10 1 1 A 18 18 LEU HA H 18 3.982 4.149 -0.167 1
1 154 . 10 1 1 A 18 18 LEU C C 18 178.645 178.647 -0.002 1
1 155 . 10 1 1 A 18 18 LEU CA C 18 58.203 56.918 1.285 1
1 156 . 10 1 1 A 18 18 LEU CB C 18 38.932 41.212 -2.280 1
1 160 . 10 1 1 A 18 18 LEU N N 18 118.407 118.445 -0.038 1
1 161 . 10 1 1 A 19 19 LYS H H 19 8.352 7.499 0.853 1
1 162 . 10 1 1 A 19 19 LYS HA H 19 4.051 3.964 0.087 1
1 169 . 10 1 1 A 19 19 LYS C C 19 178.960 179.178 -0.218 1
1 170 . 10 1 1 A 19 19 LYS CA C 19 60.537 59.810 0.727 1
1 171 . 10 1 1 A 19 19 LYS CB C 19 32.332 32.240 0.092 1
1 175 . 10 1 1 A 19 19 LYS N N 19 118.242 117.535 0.707 1
1 176 . 10 1 1 A 20 20 ALA H H 20 7.717 7.554 0.163 1
1 177 . 10 1 1 A 20 20 ALA HA H 20 4.202 4.013 0.189 1
1 181 . 10 1 1 A 20 20 ALA C C 20 180.732 178.936 1.796 1
1 182 . 10 1 1 A 20 20 ALA CA C 20 54.879 54.958 -0.079 1
1 183 . 10 1 1 A 20 20 ALA CB C 20 17.608 18.170 -0.562 1
1 184 . 10 1 1 A 20 20 ALA N N 20 122.505 121.550 0.955 1
1 185 . 10 1 1 A 21 21 TYR HA H 21 4.236 4.372 -0.136 1
1 192 . 10 1 1 A 21 21 TYR C C 21 178.839 178.341 0.498 1
1 193 . 10 1 1 A 21 21 TYR CA C 21 63.047 61.324 1.723 1
1 194 . 10 1 1 A 21 21 TYR CB C 21 38.388 38.357 0.031 1
1 199 . 10 1 1 A 22 22 TYR H H 22 8.857 7.892 0.965 1
1 200 . 10 1 1 A 22 22 TYR HA H 22 4.305 4.780 -0.475 1
1 207 . 10 1 1 A 22 22 TYR C C 22 176.338 177.489 -1.151 1
1 208 . 10 1 1 A 22 22 TYR CA C 22 61.389 62.013 -0.624 1
1 209 . 10 1 1 A 22 22 TYR CB C 22 38.790 38.964 -0.174 1
1 214 . 10 1 1 A 22 22 TYR N N 22 122.639 120.249 2.390 1
1 215 . 10 1 1 A 23 23 ALA H H 23 7.762 8.289 -0.527 1
1 216 . 10 1 1 A 23 23 ALA HA H 23 4.047 4.224 -0.177 1
1 220 . 10 1 1 A 23 23 ALA C C 23 179.179 179.450 -0.271 1
1 221 . 10 1 1 A 23 23 ALA CA C 23 53.906 55.266 -1.360 1
1 222 . 10 1 1 A 23 23 ALA CB C 23 18.328 18.538 -0.210 1
1 223 . 10 1 1 A 23 23 ALA N N 23 117.361 121.928 -4.567 1
1 224 . 10 1 1 A 24 24 LEU H H 24 7.267 7.620 -0.353 1
1 225 . 10 1 1 A 24 24 LEU HA H 24 4.210 4.275 -0.065 1
1 235 . 10 1 1 A 24 24 LEU C C 24 177.673 176.334 1.339 1
1 236 . 10 1 1 A 24 24 LEU CA C 24 56.382 56.866 -0.484 1
1 237 . 10 1 1 A 24 24 LEU CB C 24 42.933 42.148 0.785 1
1 241 . 10 1 1 A 24 24 LEU N N 24 117.259 114.754 2.505 1
1 242 . 10 1 1 A 25 25 ASN H H 25 7.862 8.416 -0.554 1
1 243 . 10 1 1 A 25 25 ASN HA H 25 4.466 4.947 -0.481 1
1 248 . 10 1 1 A 25 25 ASN C C 25 173.036 175.135 -2.099 1
1 249 . 10 1 1 A 25 25 ASN CA C 25 53.077 51.433 1.644 1
1 250 . 10 1 1 A 25 25 ASN CB C 25 37.853 38.647 -0.794 1
1 251 . 10 1 1 A 25 25 ASN N N 25 116.521 118.322 -1.801 1
1 253 . 10 1 1 A 26 26 ALA H H 26 8.283 8.400 -0.117 1
1 254 . 10 1 1 A 26 26 ALA HA H 26 3.905 2.714 1.191 1
1 258 . 10 1 1 A 26 26 ALA C C 26 177.212 177.759 -0.547 1
1 259 . 10 1 1 A 26 26 ALA CA C 26 53.323 54.863 -1.540 1
1 260 . 10 1 1 A 26 26 ALA CB C 26 19.548 18.398 1.150 1
1 261 . 10 1 1 A 26 26 ALA N N 26 126.202 127.866 -1.664 1
1 262 . 10 1 1 A 27 27 GLN H H 27 7.729 7.718 0.011 1
1 263 . 10 1 1 A 27 27 GLN HA H 27 4.619 4.366 0.253 1
1 270 . 10 1 1 A 27 27 GLN C C 27 172.090 174.525 -2.435 1
1 271 . 10 1 1 A 27 27 GLN CA C 27 52.706 53.164 -0.458 1
1 272 . 10 1 1 A 27 27 GLN CB C 27 29.636 28.465 1.171 1
1 274 . 10 1 1 A 27 27 GLN N N 27 113.721 113.486 0.235 1
1 276 . 10 1 1 A 28 28 PRO HA H 28 4.485 4.457 0.028 1
1 283 . 10 1 1 A 28 28 PRO C C 28 177.018 176.576 0.442 1
1 284 . 10 1 1 A 28 28 PRO CA C 28 62.562 62.436 0.126 1
1 285 . 10 1 1 A 28 28 PRO CB C 28 31.813 31.838 -0.025 1
1 288 . 10 1 1 A 29 29 SER H H 29 9.097 8.132 0.965 1
1 289 . 10 1 1 A 29 29 SER HA H 29 4.398 4.563 -0.165 1
1 292 . 10 1 1 A 29 29 SER C C 29 174.372 175.188 -0.816 1
1 293 . 10 1 1 A 29 29 SER CA C 29 56.986 57.034 -0.048 1
1 294 . 10 1 1 A 29 29 SER CB C 29 65.661 65.179 0.482 1
1 295 . 10 1 1 A 29 29 SER N N 29 118.156 115.143 3.013 1
1 296 . 10 1 1 A 30 30 ALA H H 30 8.916 8.904 0.012 1
1 297 . 10 1 1 A 30 30 ALA HA H 30 3.965 4.018 -0.053 1
1 301 . 10 1 1 A 30 30 ALA C C 30 180.732 180.101 0.631 1
1 302 . 10 1 1 A 30 30 ALA CA C 30 56.044 55.570 0.474 1
1 303 . 10 1 1 A 30 30 ALA CB C 30 17.925 18.258 -0.333 1
1 304 . 10 1 1 A 30 30 ALA N N 30 123.162 123.575 -0.413 1
1 305 . 10 1 1 A 31 31 GLU H H 31 8.591 8.098 0.493 1
1 306 . 10 1 1 A 31 31 GLU HA H 31 4.011 3.969 0.042 1
1 310 . 10 1 1 A 31 31 GLU C C 31 179.519 179.411 0.108 1
1 311 . 10 1 1 A 31 31 GLU CA C 31 59.788 59.614 0.174 1
1 312 . 10 1 1 A 31 31 GLU CB C 31 29.349 29.262 0.087 1
1 314 . 10 1 1 A 31 31 GLU N N 31 118.280 118.196 0.084 1
1 315 . 10 1 1 A 32 32 GLU H H 32 7.702 7.818 -0.116 1
1 316 . 10 1 1 A 32 32 GLU HA H 32 3.844 4.070 -0.226 1
1 320 . 10 1 1 A 32 32 GLU C C 32 179.446 179.064 0.382 1
1 321 . 10 1 1 A 32 32 GLU CA C 32 59.408 58.954 0.454 1
1 322 . 10 1 1 A 32 32 GLU CB C 32 29.829 29.773 0.056 1
1 324 . 10 1 1 A 32 32 GLU N N 32 121.025 120.351 0.674 1
1 325 . 10 1 1 A 33 33 LEU H H 33 8.679 8.451 0.228 1
1 326 . 10 1 1 A 33 33 LEU HA H 33 3.645 3.895 -0.250 1
1 336 . 10 1 1 A 33 33 LEU C C 33 178.378 178.727 -0.349 1
1 337 . 10 1 1 A 33 33 LEU CA C 33 58.218 57.659 0.559 1
1 338 . 10 1 1 A 33 33 LEU CB C 33 42.339 41.998 0.341 1
1 342 . 10 1 1 A 33 33 LEU N N 33 119.993 121.089 -1.096 1
1 343 . 10 1 1 A 34 34 SER H H 34 7.727 8.315 -0.588 1
1 344 . 10 1 1 A 34 34 SER HA H 34 4.116 4.032 0.084 1
1 347 . 10 1 1 A 34 34 SER C C 34 176.484 177.168 -0.684 1
1 348 . 10 1 1 A 34 34 SER CA C 34 62.063 61.617 0.446 1
1 349 . 10 1 1 A 34 34 SER CB C 34 62.725 62.954 -0.229 1
1 350 . 10 1 1 A 34 34 SER N N 34 113.341 113.163 0.178 1
1 351 . 10 1 1 A 35 35 LYS H H 35 7.525 7.860 -0.335 1
1 352 . 10 1 1 A 35 35 LYS HA H 35 4.122 3.990 0.132 1
1 361 . 10 1 1 A 35 35 LYS C C 35 180.368 178.634 1.734 1
1 362 . 10 1 1 A 35 35 LYS CA C 35 59.502 59.772 -0.270 1
1 363 . 10 1 1 A 35 35 LYS CB C 35 32.414 32.133 0.281 1
1 367 . 10 1 1 A 35 35 LYS N N 35 120.812 121.255 -0.443 1
1 368 . 10 1 1 A 36 36 ILE H H 36 8.219 8.225 -0.006 1
1 369 . 10 1 1 A 36 36 ILE HA H 36 3.280 3.586 -0.306 1
1 379 . 10 1 1 A 36 36 ILE C C 36 178.159 177.964 0.195 1
1 380 . 10 1 1 A 36 36 ILE CA C 36 65.794 65.150 0.644 1
1 381 . 10 1 1 A 36 36 ILE CB C 36 38.008 37.269 0.739 1
1 385 . 10 1 1 A 36 36 ILE N N 36 122.240 119.538 2.702 1
1 386 . 10 1 1 A 37 37 ALA H H 37 8.438 8.413 0.025 1
1 387 . 10 1 1 A 37 37 ALA HA H 37 3.862 4.005 -0.143 1
1 391 . 10 1 1 A 37 37 ALA C C 37 179.276 178.682 0.594 1
1 392 . 10 1 1 A 37 37 ALA CA C 37 56.223 55.720 0.503 1
1 393 . 10 1 1 A 37 37 ALA CB C 37 17.186 18.189 -1.003 1
1 394 . 10 1 1 A 37 37 ALA N N 37 122.058 121.887 0.171 1
1 395 . 10 1 1 A 38 38 ASP H H 38 8.072 8.011 0.061 1
1 396 . 10 1 1 A 38 38 ASP HA H 38 4.495 4.420 0.075 1
1 399 . 10 1 1 A 38 38 ASP C C 38 178.984 178.318 0.666 1
1 400 . 10 1 1 A 38 38 ASP CA C 38 56.857 56.954 -0.097 1
1 401 . 10 1 1 A 38 38 ASP CB C 38 40.813 41.714 -0.901 1
1 402 . 10 1 1 A 38 38 ASP N N 38 115.894 118.637 -2.743 1
1 403 . 10 1 1 A 39 39 SER H H 39 7.954 7.472 0.482 1
1 404 . 10 1 1 A 39 39 SER HA H 39 4.247 4.227 0.020 1
1 406 . 10 1 1 A 39 39 SER C C 39 175.610 176.177 -0.567 1
1 407 . 10 1 1 A 39 39 SER CA C 39 61.580 61.316 0.264 1
1 408 . 10 1 1 A 39 39 SER CB C 39 63.373 62.913 0.460 1
1 409 . 10 1 1 A 39 39 SER N N 39 114.432 114.819 -0.387 1
1 410 . 10 1 1 A 40 40 VAL H H 40 7.850 7.289 0.561 1
1 411 . 10 1 1 A 40 40 VAL HA H 40 4.456 4.287 0.169 1
1 419 . 10 1 1 A 40 40 VAL C C 40 174.445 174.694 -0.249 1
1 420 . 10 1 1 A 40 40 VAL CA C 40 60.913 61.202 -0.289 1
1 421 . 10 1 1 A 40 40 VAL CB C 40 31.778 31.438 0.340 1
1 424 . 10 1 1 A 40 40 VAL N N 40 111.349 113.588 -2.239 1
1 425 . 10 1 1 A 41 41 ASN H H 41 7.804 8.068 -0.264 1
1 426 . 10 1 1 A 41 41 ASN HA H 41 4.348 4.342 0.006 1
1 431 . 10 1 1 A 41 41 ASN C C 41 174.008 173.722 0.286 1
1 432 . 10 1 1 A 41 41 ASN CA C 41 54.066 54.545 -0.479 1
1 433 . 10 1 1 A 41 41 ASN CB C 41 37.225 36.985 0.240 1
1 434 . 10 1 1 A 41 41 ASN N N 41 117.410 115.403 2.007 1
1 436 . 10 1 1 A 42 42 LEU H H 42 7.904 7.704 0.200 1
1 437 . 10 1 1 A 42 42 LEU HA H 42 5.001 4.820 0.181 1
1 447 . 10 1 1 A 42 42 LEU C C 42 173.886 174.435 -0.549 1
1 448 . 10 1 1 A 42 42 LEU CA C 42 51.484 51.576 -0.092 1
1 449 . 10 1 1 A 42 42 LEU CB C 42 45.928 43.862 2.066 1
1 453 . 10 1 1 A 42 42 LEU N N 42 117.347 119.552 -2.205 1
1 454 . 10 1 1 A 43 43 PRO HA H 43 4.423 4.578 -0.155 1
1 461 . 10 1 1 A 43 43 PRO C C 43 178.013 176.648 1.365 1
1 462 . 10 1 1 A 43 43 PRO CA C 43 62.234 62.294 -0.060 1
1 463 . 10 1 1 A 43 43 PRO CB C 43 32.616 33.649 -1.033 1
1 466 . 10 1 1 A 44 44 LEU H H 44 8.758 8.872 -0.114 1
1 467 . 10 1 1 A 44 44 LEU HA H 44 3.780 4.204 -0.424 1
1 477 . 10 1 1 A 44 44 LEU C C 44 178.208 178.156 0.052 1
1 478 . 10 1 1 A 44 44 LEU CA C 44 58.592 56.943 1.649 1
1 479 . 10 1 1 A 44 44 LEU CB C 44 41.747 41.797 -0.050 1
1 483 . 10 1 1 A 44 44 LEU N N 44 125.847 122.155 3.692 1
1 484 . 10 1 1 A 45 45 ASP H H 45 8.822 8.081 0.741 1
1 485 . 10 1 1 A 45 45 ASP HA H 45 4.270 4.467 -0.197 1
1 488 . 10 1 1 A 45 45 ASP C C 45 178.523 178.764 -0.241 1
1 489 . 10 1 1 A 45 45 ASP CA C 45 57.621 56.931 0.690 1
1 490 . 10 1 1 A 45 45 ASP CB C 45 40.612 41.158 -0.546 1
1 491 . 10 1 1 A 45 45 ASP N N 45 114.687 119.126 -4.439 1
1 492 . 10 1 1 A 46 46 VAL H H 46 7.098 7.888 -0.790 1
1 493 . 10 1 1 A 46 46 VAL HA H 46 3.707 3.661 0.046 1
1 501 . 10 1 1 A 46 46 VAL C C 46 178.353 178.808 -0.455 1
1 502 . 10 1 1 A 46 46 VAL CA C 46 65.770 66.587 -0.817 1
1 503 . 10 1 1 A 46 46 VAL CB C 46 32.179 31.659 0.520 1
1 506 . 10 1 1 A 46 46 VAL N N 46 118.849 120.206 -1.357 1
1 507 . 10 1 1 A 47 47 VAL H H 47 7.429 7.794 -0.365 1
1 508 . 10 1 1 A 47 47 VAL HA H 47 3.633 3.659 -0.026 1
1 516 . 10 1 1 A 47 47 VAL C C 47 177.698 178.292 -0.594 1
1 517 . 10 1 1 A 47 47 VAL CA C 47 67.413 66.696 0.717 1
1 518 . 10 1 1 A 47 47 VAL CB C 47 32.258 31.556 0.702 1
1 521 . 10 1 1 A 47 47 VAL N N 47 120.616 120.574 0.042 1
1 522 . 10 1 1 A 48 48 LYS H H 48 9.110 7.854 1.256 1
1 523 . 10 1 1 A 48 48 LYS HA H 48 4.005 4.066 -0.061 1
1 531 . 10 1 1 A 48 48 LYS C C 48 178.717 179.194 -0.477 1
1 532 . 10 1 1 A 48 48 LYS CA C 48 60.749 60.749 0.000 1
1 533 . 10 1 1 A 48 48 LYS CB C 48 33.140 32.433 0.707 1
1 537 . 10 1 1 A 48 48 LYS N N 48 119.748 119.047 0.701 1
1 538 . 10 1 1 A 49 49 LYS H H 49 7.901 8.149 -0.248 1
1 539 . 10 1 1 A 49 49 LYS HA H 49 4.116 4.040 0.076 1
1 547 . 10 1 1 A 49 49 LYS C C 49 178.863 178.742 0.121 1
1 548 . 10 1 1 A 49 49 LYS CA C 49 59.087 59.459 -0.372 1
1 549 . 10 1 1 A 49 49 LYS CB C 49 32.085 32.240 -0.155 1
1 553 . 10 1 1 A 49 49 LYS N N 49 117.787 119.431 -1.644 1
1 554 . 10 1 1 A 50 50 TRP H H 50 8.060 7.894 0.166 1
1 555 . 10 1 1 A 50 50 TRP HA H 50 4.089 4.211 -0.122 1
1 564 . 10 1 1 A 50 50 TRP C C 50 178.547 178.015 0.532 1
1 565 . 10 1 1 A 50 50 TRP CA C 50 62.575 60.805 1.770 1
1 566 . 10 1 1 A 50 50 TRP CB C 50 28.755 29.751 -0.996 1
1 572 . 10 1 1 A 50 50 TRP N N 50 121.102 121.397 -0.295 1
1 574 . 10 1 1 A 51 51 PHE H H 51 8.695 8.483 0.212 1
1 575 . 10 1 1 A 51 51 PHE HA H 51 3.750 4.608 -0.858 1
1 583 . 10 1 1 A 51 51 PHE C C 51 178.620 178.378 0.242 1
1 584 . 10 1 1 A 51 51 PHE CA C 51 63.542 62.097 1.445 1
1 585 . 10 1 1 A 51 51 PHE CB C 51 39.112 38.620 0.492 1
1 591 . 10 1 1 A 51 51 PHE N N 51 118.773 118.214 0.559 1
1 592 . 10 1 1 A 52 52 GLU H H 52 8.399 8.388 0.011 1
1 593 . 10 1 1 A 52 52 GLU HA H 52 4.077 4.227 -0.150 1
1 598 . 10 1 1 A 52 52 GLU C C 52 179.834 178.903 0.931 1
1 599 . 10 1 1 A 52 52 GLU CA C 52 59.657 59.740 -0.083 1
1 600 . 10 1 1 A 52 52 GLU CB C 52 29.561 29.597 -0.036 1
1 602 . 10 1 1 A 52 52 GLU N N 52 118.518 119.192 -0.674 1
1 603 . 10 1 1 A 53 53 LYS H H 53 7.957 8.129 -0.172 1
1 604 . 10 1 1 A 53 53 LYS HA H 53 3.981 3.982 -0.001 1
1 612 . 10 1 1 A 53 53 LYS C C 53 179.349 178.345 1.004 1
1 613 . 10 1 1 A 53 53 LYS CA C 53 59.087 59.171 -0.084 1
1 614 . 10 1 1 A 53 53 LYS CB C 53 32.091 32.300 -0.209 1
1 618 . 10 1 1 A 53 53 LYS N N 53 120.286 119.511 0.775 1
1 619 . 10 1 1 A 54 54 MET H H 54 7.762 8.073 -0.311 1
1 620 . 10 1 1 A 54 54 MET HA H 54 3.853 3.704 0.149 1
1 626 . 10 1 1 A 54 54 MET C C 54 179.349 177.801 1.548 1
1 627 . 10 1 1 A 54 54 MET CA C 54 57.071 58.145 -1.074 1
1 628 . 10 1 1 A 54 54 MET CB C 54 31.158 30.935 0.223 1
1 631 . 10 1 1 A 54 54 MET N N 54 119.874 118.439 1.435 1
1 632 . 10 1 1 A 55 55 GLN H H 55 8.284 7.850 0.434 1
1 633 . 10 1 1 A 55 55 GLN HA H 55 4.172 4.109 0.063 1
1 640 . 10 1 1 A 55 55 GLN C C 55 178.013 177.432 0.581 1
1 641 . 10 1 1 A 55 55 GLN CA C 55 57.906 58.842 -0.936 1
1 642 . 10 1 1 A 55 55 GLN CB C 55 28.308 28.223 0.085 1
1 644 . 10 1 1 A 55 55 GLN N N 55 119.171 118.201 0.970 1
1 646 . 10 1 1 A 56 56 ALA H H 56 7.665 7.161 0.504 1
1 647 . 10 1 1 A 56 56 ALA HA H 56 4.289 4.308 -0.019 1
1 651 . 10 1 1 A 56 56 ALA C C 56 178.572 177.676 0.896 1
1 652 . 10 1 1 A 56 56 ALA CA C 56 53.041 52.306 0.735 1
1 653 . 10 1 1 A 56 56 ALA CB C 56 18.784 19.619 -0.835 1
1 654 . 10 1 1 A 56 56 ALA N N 56 120.252 119.293 0.959 1
1 655 . 10 1 1 A 57 57 GLY H H 57 7.802 7.782 0.020 1
1 656 . 10 1 1 A 57 57 GLY HA2 H 57 3.945 3.871 0.074 1
1 657 . 10 1 1 A 57 57 GLY HA3 H 57 3.945 3.909 0.036 1
1 658 . 10 1 1 A 57 57 GLY C C 57 174.809 174.932 -0.123 1
1 659 . 10 1 1 A 57 57 GLY CA C 57 45.748 45.475 0.273 1
1 660 . 10 1 1 A 57 57 GLY N N 57 106.361 105.910 0.451 1
1 661 . 10 1 1 A 58 58 GLN H H 58 7.961 8.235 -0.274 1
1 662 . 10 1 1 A 58 58 GLN HA H 58 4.280 4.344 -0.064 1
1 669 . 10 1 1 A 58 58 GLN C C 58 175.877 178.094 -2.217 1
1 670 . 10 1 1 A 58 58 GLN CA C 58 55.890 57.859 -1.969 1
1 671 . 10 1 1 A 58 58 GLN CB C 58 29.211 29.454 -0.243 1
1 673 . 10 1 1 A 58 58 GLN N N 58 118.690 118.540 0.150 1
1 675 . 10 1 1 A 59 59 ILE H H 59 7.828 7.787 0.041 1
1 676 . 10 1 1 A 59 59 ILE HA H 59 4.178 3.717 0.461 1
1 686 . 10 1 1 A 59 59 ILE C C 59 175.950 177.025 -1.075 1
1 687 . 10 1 1 A 59 59 ILE CA C 59 60.796 65.043 -4.247 1
1 688 . 10 1 1 A 59 59 ILE CB C 59 38.884 37.812 1.072 1
1 692 . 10 1 1 A 59 59 ILE N N 59 119.986 120.097 -0.111 1
1 693 . 10 1 1 A 60 60 SER H H 60 8.358 7.660 0.698 1
1 694 . 10 1 1 A 60 60 SER HA H 60 4.485 4.418 0.067 1
1 697 . 10 1 1 A 60 60 SER C C 60 174.542 173.826 0.716 1
1 698 . 10 1 1 A 60 60 SER CA C 60 58.000 58.562 -0.562 1
1 699 . 10 1 1 A 60 60 SER CB C 60 63.869 64.145 -0.276 1
1 700 . 10 1 1 A 60 60 SER N N 60 119.848 116.016 3.832 1
1 701 . 10 1 1 A 61 61 VAL H H 61 8.223 8.804 -0.581 1
1 702 . 10 1 1 A 61 61 VAL HA H 61 4.132 4.263 -0.131 1
1 710 . 10 1 1 A 61 61 VAL C C 61 176.023 175.477 0.546 1
1 711 . 10 1 1 A 61 61 VAL CA C 61 62.254 62.144 0.110 1
1 712 . 10 1 1 A 61 61 VAL CB C 61 32.702 33.976 -1.274 1
1 715 . 10 1 1 A 61 61 VAL N N 61 121.796 124.561 -2.765 1
1 716 . 10 1 1 A 62 62 GLN H H 62 8.405 7.522 0.883 1
1 717 . 10 1 1 A 62 62 GLN HA H 62 4.389 4.380 0.009 1
1 724 . 10 1 1 A 62 62 GLN C C 62 175.901 175.025 0.876 1
1 725 . 10 1 1 A 62 62 GLN CA C 62 55.792 55.736 0.056 1
1 726 . 10 1 1 A 62 62 GLN CB C 62 29.530 29.637 -0.107 1
1 728 . 10 1 1 A 62 62 GLN N N 62 123.728 119.723 4.005 1
1 730 . 10 1 1 A 63 63 SER H H 63 8.396 8.458 -0.062 1
1 731 . 10 1 1 A 63 63 SER HA H 63 4.482 5.190 -0.708 1
1 734 . 10 1 1 A 63 63 SER C C 63 173.668 172.550 1.118 1
1 735 . 10 1 1 A 63 63 SER CA C 63 58.445 56.522 1.923 1
1 736 . 10 1 1 A 63 63 SER CB C 63 63.964 65.567 -1.603 1
1 737 . 10 1 1 A 63 63 SER N N 63 118.100 115.777 2.323 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.502 5.104 -0.602 1
1 4 . 11 1 1 A 6 6 SER C C 6 175.076 173.325 1.751 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.733 56.583 2.150 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.809 65.184 -1.375 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.416 8.372 0.044 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.966 4.124 -0.158 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.966 4.125 -0.159 1
1 10 . 11 1 1 A 7 7 GLY C C 7 173.813 171.735 2.078 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.226 45.919 -0.693 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.646 112.440 -1.794 1
1 13 . 11 1 1 A 8 8 GLN H H 8 8.187 8.650 -0.463 1
1 14 . 11 1 1 A 8 8 GLN HA H 8 4.656 4.734 -0.078 1
1 21 . 11 1 1 A 8 8 GLN C C 8 173.741 174.390 -0.649 1
1 22 . 11 1 1 A 8 8 GLN CA C 8 53.677 53.568 0.109 1
1 23 . 11 1 1 A 8 8 GLN CB C 8 29.079 30.037 -0.958 1
1 25 . 11 1 1 A 8 8 GLN N N 8 120.767 121.885 -1.118 1
1 27 . 11 1 1 A 9 9 PRO HA H 9 4.723 4.644 0.079 1
1 34 . 11 1 1 A 9 9 PRO CB C 9 27.766 31.565 -3.799 1
1 37 . 11 1 1 A 10 10 PRO HA H 10 4.444 4.607 -0.163 1
1 43 . 11 1 1 A 10 10 PRO C C 10 177.309 176.655 0.654 1
1 44 . 11 1 1 A 10 10 PRO CA C 10 63.083 62.163 0.920 1
1 45 . 11 1 1 A 10 10 PRO CB C 10 31.881 32.952 -1.071 1
1 48 . 11 1 1 A 11 11 LEU H H 11 8.323 8.289 0.034 1
1 49 . 11 1 1 A 11 11 LEU HA H 11 4.105 4.470 -0.365 1
1 59 . 11 1 1 A 11 11 LEU C C 11 178.232 177.564 0.668 1
1 60 . 11 1 1 A 11 11 LEU CA C 11 56.572 53.832 2.740 1
1 61 . 11 1 1 A 11 11 LEU CB C 11 42.000 42.956 -0.956 1
1 64 . 11 1 1 A 11 11 LEU N N 11 122.449 120.106 2.343 1
1 65 . 11 1 1 A 12 12 LYS H H 12 8.319 8.703 -0.384 1
1 66 . 11 1 1 A 12 12 LYS HA H 12 3.986 4.003 -0.017 1
1 73 . 11 1 1 A 12 12 LYS C C 12 177.722 178.191 -0.469 1
1 74 . 11 1 1 A 12 12 LYS CA C 12 58.842 59.280 -0.438 1
1 75 . 11 1 1 A 12 12 LYS CB C 12 32.388 32.130 0.258 1
1 79 . 11 1 1 A 12 12 LYS N N 12 118.575 120.083 -1.508 1
1 80 . 11 1 1 A 13 13 ASN H H 13 8.076 8.324 -0.248 1
1 81 . 11 1 1 A 13 13 ASN HA H 13 4.597 4.339 0.258 1
1 86 . 11 1 1 A 13 13 ASN C C 13 176.702 177.827 -1.125 1
1 87 . 11 1 1 A 13 13 ASN CA C 13 54.525 56.755 -2.230 1
1 88 . 11 1 1 A 13 13 ASN CB C 13 38.035 37.828 0.207 1
1 89 . 11 1 1 A 13 13 ASN N N 13 117.381 117.994 -0.613 1
1 91 . 11 1 1 A 14 14 LEU H H 14 7.948 8.047 -0.099 1
1 92 . 11 1 1 A 14 14 LEU HA H 14 4.099 3.949 0.150 1
1 102 . 11 1 1 A 14 14 LEU C C 14 177.868 178.231 -0.363 1
1 103 . 11 1 1 A 14 14 LEU CA C 14 56.861 58.697 -1.836 1
1 104 . 11 1 1 A 14 14 LEU CB C 14 42.012 41.761 0.251 1
1 108 . 11 1 1 A 14 14 LEU N N 14 121.775 122.087 -0.312 1
1 109 . 11 1 1 A 15 15 LEU H H 15 7.996 7.885 0.111 1
1 110 . 11 1 1 A 15 15 LEU HA H 15 3.705 3.902 -0.197 1
1 120 . 11 1 1 A 15 15 LEU C C 15 178.887 178.737 0.150 1
1 121 . 11 1 1 A 15 15 LEU CA C 15 58.201 57.651 0.550 1
1 122 . 11 1 1 A 15 15 LEU CB C 15 41.067 41.832 -0.765 1
1 126 . 11 1 1 A 15 15 LEU N N 15 119.072 117.471 1.601 1
1 127 . 11 1 1 A 16 16 SER H H 16 7.968 8.438 -0.470 1
1 128 . 11 1 1 A 16 16 SER HA H 16 4.064 4.095 -0.031 1
1 131 . 11 1 1 A 16 16 SER C C 16 176.897 176.092 0.805 1
1 132 . 11 1 1 A 16 16 SER CA C 16 61.915 62.164 -0.249 1
1 133 . 11 1 1 A 16 16 SER CB C 16 62.496 62.637 -0.141 1
1 134 . 11 1 1 A 16 16 SER N N 16 113.400 115.777 -2.377 1
1 135 . 11 1 1 A 17 17 LEU H H 17 7.487 8.500 -1.013 1
1 136 . 11 1 1 A 17 17 LEU HA H 17 3.980 3.935 0.045 1
1 140 . 11 1 1 A 17 17 LEU C C 17 178.547 179.238 -0.691 1
1 141 . 11 1 1 A 17 17 LEU CA C 17 58.205 58.033 0.172 1
1 142 . 11 1 1 A 17 17 LEU CB C 17 41.973 41.643 0.330 1
1 143 . 11 1 1 A 17 17 LEU N N 17 122.840 120.982 1.858 1
1 144 . 11 1 1 A 18 18 LEU H H 18 7.950 7.830 0.120 1
1 145 . 11 1 1 A 18 18 LEU HA H 18 3.982 3.928 0.054 1
1 154 . 11 1 1 A 18 18 LEU C C 18 178.645 178.710 -0.065 1
1 155 . 11 1 1 A 18 18 LEU CA C 18 58.203 57.845 0.358 1
1 156 . 11 1 1 A 18 18 LEU CB C 18 38.932 40.728 -1.796 1
1 160 . 11 1 1 A 18 18 LEU N N 18 118.407 119.253 -0.846 1
1 161 . 11 1 1 A 19 19 LYS H H 19 8.352 8.365 -0.013 1
1 162 . 11 1 1 A 19 19 LYS HA H 19 4.051 4.274 -0.223 1
1 169 . 11 1 1 A 19 19 LYS C C 19 178.960 179.216 -0.256 1
1 170 . 11 1 1 A 19 19 LYS CA C 19 60.537 59.584 0.953 1
1 171 . 11 1 1 A 19 19 LYS CB C 19 32.332 32.184 0.148 1
1 175 . 11 1 1 A 19 19 LYS N N 19 118.242 117.051 1.191 1
1 176 . 11 1 1 A 20 20 ALA H H 20 7.717 7.573 0.144 1
1 177 . 11 1 1 A 20 20 ALA HA H 20 4.202 4.062 0.140 1
1 181 . 11 1 1 A 20 20 ALA C C 20 180.732 179.469 1.263 1
1 182 . 11 1 1 A 20 20 ALA CA C 20 54.879 55.099 -0.220 1
1 183 . 11 1 1 A 20 20 ALA CB C 20 17.608 18.468 -0.860 1
1 184 . 11 1 1 A 20 20 ALA N N 20 122.505 121.825 0.680 1
1 185 . 11 1 1 A 21 21 TYR HA H 21 4.236 4.392 -0.156 1
1 192 . 11 1 1 A 21 21 TYR C C 21 178.839 178.569 0.270 1
1 193 . 11 1 1 A 21 21 TYR CA C 21 63.047 60.959 2.088 1
1 194 . 11 1 1 A 21 21 TYR CB C 21 38.388 38.218 0.170 1
1 199 . 11 1 1 A 22 22 TYR H H 22 8.857 8.021 0.836 1
1 200 . 11 1 1 A 22 22 TYR HA H 22 4.305 4.988 -0.683 1
1 207 . 11 1 1 A 22 22 TYR C C 22 176.338 177.495 -1.157 1
1 208 . 11 1 1 A 22 22 TYR CA C 22 61.389 61.950 -0.561 1
1 209 . 11 1 1 A 22 22 TYR CB C 22 38.790 39.028 -0.238 1
1 214 . 11 1 1 A 22 22 TYR N N 22 122.639 120.807 1.832 1
1 215 . 11 1 1 A 23 23 ALA H H 23 7.762 8.378 -0.616 1
1 216 . 11 1 1 A 23 23 ALA HA H 23 4.047 3.946 0.101 1
1 220 . 11 1 1 A 23 23 ALA C C 23 179.179 179.307 -0.128 1
1 221 . 11 1 1 A 23 23 ALA CA C 23 53.906 55.067 -1.161 1
1 222 . 11 1 1 A 23 23 ALA CB C 23 18.328 18.733 -0.405 1
1 223 . 11 1 1 A 23 23 ALA N N 23 117.361 121.735 -4.374 1
1 224 . 11 1 1 A 24 24 LEU H H 24 7.267 7.282 -0.015 1
1 225 . 11 1 1 A 24 24 LEU HA H 24 4.210 4.205 0.005 1
1 235 . 11 1 1 A 24 24 LEU C C 24 177.673 176.509 1.164 1
1 236 . 11 1 1 A 24 24 LEU CA C 24 56.382 57.137 -0.755 1
1 237 . 11 1 1 A 24 24 LEU CB C 24 42.933 42.191 0.742 1
1 241 . 11 1 1 A 24 24 LEU N N 24 117.259 114.635 2.624 1
1 242 . 11 1 1 A 25 25 ASN H H 25 7.862 8.348 -0.486 1
1 243 . 11 1 1 A 25 25 ASN HA H 25 4.466 4.892 -0.426 1
1 248 . 11 1 1 A 25 25 ASN C C 25 173.036 175.765 -2.729 1
1 249 . 11 1 1 A 25 25 ASN CA C 25 53.077 51.981 1.096 1
1 250 . 11 1 1 A 25 25 ASN CB C 25 37.853 38.744 -0.891 1
1 251 . 11 1 1 A 25 25 ASN N N 25 116.521 118.667 -2.146 1
1 253 . 11 1 1 A 26 26 ALA H H 26 8.283 8.786 -0.503 1
1 254 . 11 1 1 A 26 26 ALA HA H 26 3.905 4.312 -0.407 1
1 258 . 11 1 1 A 26 26 ALA C C 26 177.212 178.132 -0.920 1
1 259 . 11 1 1 A 26 26 ALA CA C 26 53.323 54.442 -1.119 1
1 260 . 11 1 1 A 26 26 ALA CB C 26 19.548 19.537 0.011 1
1 261 . 11 1 1 A 26 26 ALA N N 26 126.202 129.284 -3.082 1
1 262 . 11 1 1 A 27 27 GLN H H 27 7.729 8.072 -0.343 1
1 263 . 11 1 1 A 27 27 GLN HA H 27 4.619 4.707 -0.088 1
1 270 . 11 1 1 A 27 27 GLN C C 27 172.090 174.172 -2.082 1
1 271 . 11 1 1 A 27 27 GLN CA C 27 52.706 53.092 -0.386 1
1 272 . 11 1 1 A 27 27 GLN CB C 27 29.636 28.666 0.970 1
1 274 . 11 1 1 A 27 27 GLN N N 27 113.721 113.974 -0.253 1
1 276 . 11 1 1 A 28 28 PRO HA H 28 4.485 4.610 -0.125 1
1 283 . 11 1 1 A 28 28 PRO C C 28 177.018 176.571 0.447 1
1 284 . 11 1 1 A 28 28 PRO CA C 28 62.562 62.461 0.101 1
1 285 . 11 1 1 A 28 28 PRO CB C 28 31.813 32.319 -0.506 1
1 288 . 11 1 1 A 29 29 SER H H 29 9.097 8.270 0.827 1
1 289 . 11 1 1 A 29 29 SER HA H 29 4.398 4.649 -0.251 1
1 292 . 11 1 1 A 29 29 SER C C 29 174.372 175.477 -1.105 1
1 293 . 11 1 1 A 29 29 SER CA C 29 56.986 56.297 0.689 1
1 294 . 11 1 1 A 29 29 SER CB C 29 65.661 65.410 0.251 1
1 295 . 11 1 1 A 29 29 SER N N 29 118.156 114.696 3.460 1
1 296 . 11 1 1 A 30 30 ALA H H 30 8.916 8.925 -0.009 1
1 297 . 11 1 1 A 30 30 ALA HA H 30 3.965 4.016 -0.051 1
1 301 . 11 1 1 A 30 30 ALA C C 30 180.732 180.144 0.588 1
1 302 . 11 1 1 A 30 30 ALA CA C 30 56.044 55.539 0.505 1
1 303 . 11 1 1 A 30 30 ALA CB C 30 17.925 18.220 -0.295 1
1 304 . 11 1 1 A 30 30 ALA N N 30 123.162 123.234 -0.072 1
1 305 . 11 1 1 A 31 31 GLU H H 31 8.591 8.150 0.441 1
1 306 . 11 1 1 A 31 31 GLU HA H 31 4.011 3.968 0.043 1
1 310 . 11 1 1 A 31 31 GLU C C 31 179.519 179.304 0.215 1
1 311 . 11 1 1 A 31 31 GLU CA C 31 59.788 59.662 0.126 1
1 312 . 11 1 1 A 31 31 GLU CB C 31 29.349 29.310 0.039 1
1 314 . 11 1 1 A 31 31 GLU N N 31 118.280 118.214 0.066 1
1 315 . 11 1 1 A 32 32 GLU H H 32 7.702 7.817 -0.115 1
1 316 . 11 1 1 A 32 32 GLU HA H 32 3.844 4.070 -0.226 1
1 320 . 11 1 1 A 32 32 GLU C C 32 179.446 179.279 0.167 1
1 321 . 11 1 1 A 32 32 GLU CA C 32 59.408 59.096 0.312 1
1 322 . 11 1 1 A 32 32 GLU CB C 32 29.829 29.838 -0.009 1
1 324 . 11 1 1 A 32 32 GLU N N 32 121.025 119.918 1.107 1
1 325 . 11 1 1 A 33 33 LEU H H 33 8.679 8.541 0.138 1
1 326 . 11 1 1 A 33 33 LEU HA H 33 3.645 3.872 -0.227 1
1 336 . 11 1 1 A 33 33 LEU C C 33 178.378 178.708 -0.330 1
1 337 . 11 1 1 A 33 33 LEU CA C 33 58.218 57.633 0.585 1
1 338 . 11 1 1 A 33 33 LEU CB C 33 42.339 41.985 0.354 1
1 342 . 11 1 1 A 33 33 LEU N N 33 119.993 120.823 -0.830 1
1 343 . 11 1 1 A 34 34 SER H H 34 7.727 8.392 -0.665 1
1 344 . 11 1 1 A 34 34 SER HA H 34 4.116 4.021 0.095 1
1 347 . 11 1 1 A 34 34 SER C C 34 176.484 176.970 -0.486 1
1 348 . 11 1 1 A 34 34 SER CA C 34 62.063 61.657 0.406 1
1 349 . 11 1 1 A 34 34 SER CB C 34 62.725 62.939 -0.214 1
1 350 . 11 1 1 A 34 34 SER N N 34 113.341 113.017 0.324 1
1 351 . 11 1 1 A 35 35 LYS H H 35 7.525 7.398 0.127 1
1 352 . 11 1 1 A 35 35 LYS HA H 35 4.122 3.906 0.216 1
1 361 . 11 1 1 A 35 35 LYS C C 35 180.368 178.498 1.870 1
1 362 . 11 1 1 A 35 35 LYS CA C 35 59.502 59.785 -0.283 1
1 363 . 11 1 1 A 35 35 LYS CB C 35 32.414 32.412 0.002 1
1 367 . 11 1 1 A 35 35 LYS N N 35 120.812 121.205 -0.393 1
1 368 . 11 1 1 A 36 36 ILE H H 36 8.219 8.014 0.205 1
1 369 . 11 1 1 A 36 36 ILE HA H 36 3.280 3.325 -0.045 1
1 379 . 11 1 1 A 36 36 ILE C C 36 178.159 178.394 -0.235 1
1 380 . 11 1 1 A 36 36 ILE CA C 36 65.794 64.905 0.889 1
1 381 . 11 1 1 A 36 36 ILE CB C 36 38.008 37.416 0.592 1
1 385 . 11 1 1 A 36 36 ILE N N 36 122.240 119.774 2.466 1
1 386 . 11 1 1 A 37 37 ALA H H 37 8.438 7.935 0.503 1
1 387 . 11 1 1 A 37 37 ALA HA H 37 3.862 4.046 -0.184 1
1 391 . 11 1 1 A 37 37 ALA C C 37 179.276 179.899 -0.623 1
1 392 . 11 1 1 A 37 37 ALA CA C 37 56.223 55.202 1.021 1
1 393 . 11 1 1 A 37 37 ALA CB C 37 17.186 17.971 -0.785 1
1 394 . 11 1 1 A 37 37 ALA N N 37 122.058 122.391 -0.333 1
1 395 . 11 1 1 A 38 38 ASP H H 38 8.072 8.483 -0.411 1
1 396 . 11 1 1 A 38 38 ASP HA H 38 4.495 4.366 0.129 1
1 399 . 11 1 1 A 38 38 ASP C C 38 178.984 177.357 1.627 1
1 400 . 11 1 1 A 38 38 ASP CA C 38 56.857 56.210 0.647 1
1 401 . 11 1 1 A 38 38 ASP CB C 38 40.813 40.471 0.342 1
1 402 . 11 1 1 A 38 38 ASP N N 38 115.894 120.207 -4.313 1
1 403 . 11 1 1 A 39 39 SER H H 39 7.954 7.497 0.457 1
1 404 . 11 1 1 A 39 39 SER HA H 39 4.247 4.424 -0.177 1
1 406 . 11 1 1 A 39 39 SER C C 39 175.610 175.423 0.187 1
1 407 . 11 1 1 A 39 39 SER CA C 39 61.580 61.309 0.271 1
1 408 . 11 1 1 A 39 39 SER CB C 39 63.373 63.548 -0.175 1
1 409 . 11 1 1 A 39 39 SER N N 39 114.432 114.545 -0.113 1
1 410 . 11 1 1 A 40 40 VAL H H 40 7.850 6.920 0.930 1
1 411 . 11 1 1 A 40 40 VAL HA H 40 4.456 4.259 0.197 1
1 419 . 11 1 1 A 40 40 VAL C C 40 174.445 174.666 -0.221 1
1 420 . 11 1 1 A 40 40 VAL CA C 40 60.913 61.118 -0.205 1
1 421 . 11 1 1 A 40 40 VAL CB C 40 31.778 31.386 0.392 1
1 424 . 11 1 1 A 40 40 VAL N N 40 111.349 114.904 -3.555 1
1 425 . 11 1 1 A 41 41 ASN H H 41 7.804 8.047 -0.243 1
1 426 . 11 1 1 A 41 41 ASN HA H 41 4.348 4.336 0.012 1
1 431 . 11 1 1 A 41 41 ASN C C 41 174.008 173.711 0.297 1
1 432 . 11 1 1 A 41 41 ASN CA C 41 54.066 54.549 -0.483 1
1 433 . 11 1 1 A 41 41 ASN CB C 41 37.225 36.827 0.398 1
1 434 . 11 1 1 A 41 41 ASN N N 41 117.410 116.040 1.370 1
1 436 . 11 1 1 A 42 42 LEU H H 42 7.904 7.618 0.286 1
1 437 . 11 1 1 A 42 42 LEU HA H 42 5.001 4.803 0.198 1
1 447 . 11 1 1 A 42 42 LEU C C 42 173.886 174.329 -0.443 1
1 448 . 11 1 1 A 42 42 LEU CA C 42 51.484 51.485 -0.001 1
1 449 . 11 1 1 A 42 42 LEU CB C 42 45.928 44.292 1.636 1
1 453 . 11 1 1 A 42 42 LEU N N 42 117.347 119.120 -1.773 1
1 454 . 11 1 1 A 43 43 PRO HA H 43 4.423 4.560 -0.137 1
1 461 . 11 1 1 A 43 43 PRO C C 43 178.013 176.611 1.402 1
1 462 . 11 1 1 A 43 43 PRO CA C 43 62.234 62.299 -0.065 1
1 463 . 11 1 1 A 43 43 PRO CB C 43 32.616 33.440 -0.824 1
1 466 . 11 1 1 A 44 44 LEU H H 44 8.758 8.837 -0.079 1
1 467 . 11 1 1 A 44 44 LEU HA H 44 3.780 4.168 -0.388 1
1 477 . 11 1 1 A 44 44 LEU C C 44 178.208 178.121 0.087 1
1 478 . 11 1 1 A 44 44 LEU CA C 44 58.592 56.918 1.674 1
1 479 . 11 1 1 A 44 44 LEU CB C 44 41.747 42.083 -0.336 1
1 483 . 11 1 1 A 44 44 LEU N N 44 125.847 122.079 3.768 1
1 484 . 11 1 1 A 45 45 ASP H H 45 8.822 8.379 0.443 1
1 485 . 11 1 1 A 45 45 ASP HA H 45 4.270 4.362 -0.092 1
1 488 . 11 1 1 A 45 45 ASP C C 45 178.523 178.514 0.009 1
1 489 . 11 1 1 A 45 45 ASP CA C 45 57.621 57.073 0.548 1
1 490 . 11 1 1 A 45 45 ASP CB C 45 40.612 40.409 0.203 1
1 491 . 11 1 1 A 45 45 ASP N N 45 114.687 118.151 -3.464 1
1 492 . 11 1 1 A 46 46 VAL H H 46 7.098 7.984 -0.886 1
1 493 . 11 1 1 A 46 46 VAL HA H 46 3.707 3.699 0.008 1
1 501 . 11 1 1 A 46 46 VAL C C 46 178.353 178.551 -0.198 1
1 502 . 11 1 1 A 46 46 VAL CA C 46 65.770 66.435 -0.665 1
1 503 . 11 1 1 A 46 46 VAL CB C 46 32.179 31.618 0.561 1
1 506 . 11 1 1 A 46 46 VAL N N 46 118.849 120.277 -1.428 1
1 507 . 11 1 1 A 47 47 VAL H H 47 7.429 7.662 -0.233 1
1 508 . 11 1 1 A 47 47 VAL HA H 47 3.633 3.690 -0.057 1
1 516 . 11 1 1 A 47 47 VAL C C 47 177.698 178.406 -0.708 1
1 517 . 11 1 1 A 47 47 VAL CA C 47 67.413 66.867 0.546 1
1 518 . 11 1 1 A 47 47 VAL CB C 47 32.258 31.663 0.595 1
1 521 . 11 1 1 A 47 47 VAL N N 47 120.616 120.780 -0.164 1
1 522 . 11 1 1 A 48 48 LYS H H 48 9.110 7.814 1.296 1
1 523 . 11 1 1 A 48 48 LYS HA H 48 4.005 4.027 -0.022 1
1 531 . 11 1 1 A 48 48 LYS C C 48 178.717 179.025 -0.308 1
1 532 . 11 1 1 A 48 48 LYS CA C 48 60.749 60.416 0.333 1
1 533 . 11 1 1 A 48 48 LYS CB C 48 33.140 32.234 0.906 1
1 537 . 11 1 1 A 48 48 LYS N N 48 119.748 119.491 0.257 1
1 538 . 11 1 1 A 49 49 LYS H H 49 7.901 7.761 0.140 1
1 539 . 11 1 1 A 49 49 LYS HA H 49 4.116 4.016 0.100 1
1 547 . 11 1 1 A 49 49 LYS C C 49 178.863 178.650 0.213 1
1 548 . 11 1 1 A 49 49 LYS CA C 49 59.087 59.331 -0.244 1
1 549 . 11 1 1 A 49 49 LYS CB C 49 32.085 32.191 -0.106 1
1 553 . 11 1 1 A 49 49 LYS N N 49 117.787 119.316 -1.529 1
1 554 . 11 1 1 A 50 50 TRP H H 50 8.060 7.793 0.267 1
1 555 . 11 1 1 A 50 50 TRP HA H 50 4.089 4.168 -0.079 1
1 564 . 11 1 1 A 50 50 TRP C C 50 178.547 178.340 0.207 1
1 565 . 11 1 1 A 50 50 TRP CA C 50 62.575 60.658 1.917 1
1 566 . 11 1 1 A 50 50 TRP CB C 50 28.755 29.580 -0.825 1
1 572 . 11 1 1 A 50 50 TRP N N 50 121.102 121.413 -0.311 1
1 574 . 11 1 1 A 51 51 PHE H H 51 8.695 8.094 0.601 1
1 575 . 11 1 1 A 51 51 PHE HA H 51 3.750 4.011 -0.261 1
1 583 . 11 1 1 A 51 51 PHE C C 51 178.620 178.304 0.316 1
1 584 . 11 1 1 A 51 51 PHE CA C 51 63.542 61.623 1.919 1
1 585 . 11 1 1 A 51 51 PHE CB C 51 39.112 38.872 0.240 1
1 591 . 11 1 1 A 51 51 PHE N N 51 118.773 118.337 0.436 1
1 592 . 11 1 1 A 52 52 GLU H H 52 8.399 8.511 -0.112 1
1 593 . 11 1 1 A 52 52 GLU HA H 52 4.077 3.876 0.201 1
1 598 . 11 1 1 A 52 52 GLU C C 52 179.834 179.457 0.377 1
1 599 . 11 1 1 A 52 52 GLU CA C 52 59.657 60.053 -0.396 1
1 600 . 11 1 1 A 52 52 GLU CB C 52 29.561 29.199 0.362 1
1 602 . 11 1 1 A 52 52 GLU N N 52 118.518 117.653 0.865 1
1 603 . 11 1 1 A 53 53 LYS H H 53 7.957 8.011 -0.054 1
1 604 . 11 1 1 A 53 53 LYS HA H 53 3.981 3.934 0.047 1
1 612 . 11 1 1 A 53 53 LYS C C 53 179.349 178.670 0.679 1
1 613 . 11 1 1 A 53 53 LYS CA C 53 59.087 59.096 -0.009 1
1 614 . 11 1 1 A 53 53 LYS CB C 53 32.091 32.408 -0.317 1
1 618 . 11 1 1 A 53 53 LYS N N 53 120.286 120.047 0.239 1
1 619 . 11 1 1 A 54 54 MET H H 54 7.762 7.986 -0.224 1
1 620 . 11 1 1 A 54 54 MET HA H 54 3.853 3.739 0.114 1
1 626 . 11 1 1 A 54 54 MET C C 54 179.349 177.914 1.435 1
1 627 . 11 1 1 A 54 54 MET CA C 54 57.071 57.985 -0.914 1
1 628 . 11 1 1 A 54 54 MET CB C 54 31.158 31.400 -0.242 1
1 631 . 11 1 1 A 54 54 MET N N 54 119.874 118.389 1.485 1
1 632 . 11 1 1 A 55 55 GLN H H 55 8.284 8.086 0.198 1
1 633 . 11 1 1 A 55 55 GLN HA H 55 4.172 4.136 0.036 1
1 640 . 11 1 1 A 55 55 GLN C C 55 178.013 177.698 0.315 1
1 641 . 11 1 1 A 55 55 GLN CA C 55 57.906 58.785 -0.879 1
1 642 . 11 1 1 A 55 55 GLN CB C 55 28.308 28.102 0.206 1
1 644 . 11 1 1 A 55 55 GLN N N 55 119.171 117.837 1.334 1
1 646 . 11 1 1 A 56 56 ALA H H 56 7.665 7.386 0.279 1
1 647 . 11 1 1 A 56 56 ALA HA H 56 4.289 4.306 -0.017 1
1 651 . 11 1 1 A 56 56 ALA C C 56 178.572 177.728 0.844 1
1 652 . 11 1 1 A 56 56 ALA CA C 56 53.041 52.239 0.802 1
1 653 . 11 1 1 A 56 56 ALA CB C 56 18.784 19.413 -0.629 1
1 654 . 11 1 1 A 56 56 ALA N N 56 120.252 119.233 1.019 1
1 655 . 11 1 1 A 57 57 GLY H H 57 7.802 7.829 -0.027 1
1 656 . 11 1 1 A 57 57 GLY HA2 H 57 3.945 3.923 0.022 1
1 657 . 11 1 1 A 57 57 GLY HA3 H 57 3.945 3.943 0.002 1
1 658 . 11 1 1 A 57 57 GLY C C 57 174.809 175.222 -0.413 1
1 659 . 11 1 1 A 57 57 GLY CA C 57 45.748 45.275 0.473 1
1 660 . 11 1 1 A 57 57 GLY N N 57 106.361 105.905 0.456 1
1 661 . 11 1 1 A 58 58 GLN H H 58 7.961 8.701 -0.740 1
1 662 . 11 1 1 A 58 58 GLN HA H 58 4.280 4.143 0.137 1
1 669 . 11 1 1 A 58 58 GLN C C 58 175.877 178.460 -2.583 1
1 670 . 11 1 1 A 58 58 GLN CA C 58 55.890 58.854 -2.964 1
1 671 . 11 1 1 A 58 58 GLN CB C 58 29.211 27.978 1.233 1
1 673 . 11 1 1 A 58 58 GLN N N 58 118.690 119.832 -1.142 1
1 675 . 11 1 1 A 59 59 ILE H H 59 7.828 7.342 0.486 1
1 676 . 11 1 1 A 59 59 ILE HA H 59 4.178 3.767 0.411 1
1 686 . 11 1 1 A 59 59 ILE C C 59 175.950 176.209 -0.259 1
1 687 . 11 1 1 A 59 59 ILE CA C 59 60.796 63.994 -3.198 1
1 688 . 11 1 1 A 59 59 ILE CB C 59 38.884 37.778 1.106 1
1 692 . 11 1 1 A 59 59 ILE N N 59 119.986 119.318 0.668 1
1 693 . 11 1 1 A 60 60 SER H H 60 8.358 7.632 0.726 1
1 694 . 11 1 1 A 60 60 SER HA H 60 4.485 4.647 -0.162 1
1 697 . 11 1 1 A 60 60 SER C C 60 174.542 173.752 0.790 1
1 698 . 11 1 1 A 60 60 SER CA C 60 58.000 57.056 0.944 1
1 699 . 11 1 1 A 60 60 SER CB C 60 63.869 65.232 -1.363 1
1 700 . 11 1 1 A 60 60 SER N N 60 119.848 112.192 7.656 1
1 701 . 11 1 1 A 61 61 VAL H H 61 8.223 8.571 -0.348 1
1 702 . 11 1 1 A 61 61 VAL HA H 61 4.132 4.017 0.115 1
1 710 . 11 1 1 A 61 61 VAL C C 61 176.023 175.887 0.136 1
1 711 . 11 1 1 A 61 61 VAL CA C 61 62.254 64.171 -1.917 1
1 712 . 11 1 1 A 61 61 VAL CB C 61 32.702 32.001 0.701 1
1 715 . 11 1 1 A 61 61 VAL N N 61 121.796 122.938 -1.142 1
1 716 . 11 1 1 A 62 62 GLN H H 62 8.405 7.311 1.094 1
1 717 . 11 1 1 A 62 62 GLN HA H 62 4.389 4.701 -0.312 1
1 724 . 11 1 1 A 62 62 GLN C C 62 175.901 175.298 0.603 1
1 725 . 11 1 1 A 62 62 GLN CA C 62 55.792 54.720 1.072 1
1 726 . 11 1 1 A 62 62 GLN CB C 62 29.530 30.316 -0.786 1
1 728 . 11 1 1 A 62 62 GLN N N 62 123.728 120.557 3.171 1
1 730 . 11 1 1 A 63 63 SER H H 63 8.396 8.715 -0.319 1
1 731 . 11 1 1 A 63 63 SER HA H 63 4.482 4.766 -0.284 1
1 734 . 11 1 1 A 63 63 SER C C 63 173.668 175.048 -1.380 1
1 735 . 11 1 1 A 63 63 SER CA C 63 58.445 59.824 -1.379 1
1 736 . 11 1 1 A 63 63 SER CB C 63 63.964 65.231 -1.267 1
1 737 . 11 1 1 A 63 63 SER N N 63 118.100 118.233 -0.133 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.502 4.828 -0.326 1
1 4 . 12 1 1 A 6 6 SER C C 6 175.076 174.113 0.963 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.733 57.070 1.663 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.809 63.525 0.284 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.416 8.641 -0.225 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.966 4.077 -0.111 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.966 4.077 -0.111 1
1 10 . 12 1 1 A 7 7 GLY C C 7 173.813 172.847 0.966 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.226 44.317 0.909 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.646 114.553 -3.907 1
1 13 . 12 1 1 A 8 8 GLN H H 8 8.187 8.247 -0.060 1
1 14 . 12 1 1 A 8 8 GLN HA H 8 4.656 4.386 0.270 1
1 21 . 12 1 1 A 8 8 GLN C C 8 173.741 174.739 -0.998 1
1 22 . 12 1 1 A 8 8 GLN CA C 8 53.677 53.938 -0.261 1
1 23 . 12 1 1 A 8 8 GLN CB C 8 29.079 29.188 -0.109 1
1 25 . 12 1 1 A 8 8 GLN N N 8 120.767 121.527 -0.760 1
1 27 . 12 1 1 A 9 9 PRO HA H 9 4.723 4.729 -0.006 1
1 34 . 12 1 1 A 9 9 PRO CB C 9 27.766 31.478 -3.712 1
1 37 . 12 1 1 A 10 10 PRO HA H 10 4.444 4.591 -0.147 1
1 43 . 12 1 1 A 10 10 PRO C C 10 177.309 176.637 0.672 1
1 44 . 12 1 1 A 10 10 PRO CA C 10 63.083 62.284 0.799 1
1 45 . 12 1 1 A 10 10 PRO CB C 10 31.881 32.355 -0.474 1
1 48 . 12 1 1 A 11 11 LEU H H 11 8.323 8.352 -0.029 1
1 49 . 12 1 1 A 11 11 LEU HA H 11 4.105 4.213 -0.108 1
1 59 . 12 1 1 A 11 11 LEU C C 11 178.232 178.392 -0.160 1
1 60 . 12 1 1 A 11 11 LEU CA C 11 56.572 55.140 1.432 1
1 61 . 12 1 1 A 11 11 LEU CB C 11 42.000 42.399 -0.399 1
1 64 . 12 1 1 A 11 11 LEU N N 11 122.449 122.383 0.066 1
1 65 . 12 1 1 A 12 12 LYS H H 12 8.319 8.690 -0.371 1
1 66 . 12 1 1 A 12 12 LYS HA H 12 3.986 4.247 -0.261 1
1 73 . 12 1 1 A 12 12 LYS C C 12 177.722 178.792 -1.070 1
1 74 . 12 1 1 A 12 12 LYS CA C 12 58.842 58.673 0.169 1
1 75 . 12 1 1 A 12 12 LYS CB C 12 32.388 32.772 -0.384 1
1 79 . 12 1 1 A 12 12 LYS N N 12 118.575 120.716 -2.141 1
1 80 . 12 1 1 A 13 13 ASN H H 13 8.076 8.121 -0.045 1
1 81 . 12 1 1 A 13 13 ASN HA H 13 4.597 4.607 -0.010 1
1 86 . 12 1 1 A 13 13 ASN C C 13 176.702 177.911 -1.209 1
1 87 . 12 1 1 A 13 13 ASN CA C 13 54.525 56.328 -1.803 1
1 88 . 12 1 1 A 13 13 ASN CB C 13 38.035 38.369 -0.334 1
1 89 . 12 1 1 A 13 13 ASN N N 13 117.381 118.583 -1.202 1
1 91 . 12 1 1 A 14 14 LEU H H 14 7.948 7.809 0.139 1
1 92 . 12 1 1 A 14 14 LEU HA H 14 4.099 3.992 0.107 1
1 102 . 12 1 1 A 14 14 LEU C C 14 177.868 178.820 -0.952 1
1 103 . 12 1 1 A 14 14 LEU CA C 14 56.861 57.741 -0.880 1
1 104 . 12 1 1 A 14 14 LEU CB C 14 42.012 41.108 0.904 1
1 108 . 12 1 1 A 14 14 LEU N N 14 121.775 117.839 3.936 1
1 109 . 12 1 1 A 15 15 LEU H H 15 7.996 7.915 0.081 1
1 110 . 12 1 1 A 15 15 LEU HA H 15 3.705 3.875 -0.170 1
1 120 . 12 1 1 A 15 15 LEU C C 15 178.887 178.920 -0.033 1
1 121 . 12 1 1 A 15 15 LEU CA C 15 58.201 57.779 0.422 1
1 122 . 12 1 1 A 15 15 LEU CB C 15 41.067 41.480 -0.413 1
1 126 . 12 1 1 A 15 15 LEU N N 15 119.072 119.635 -0.563 1
1 127 . 12 1 1 A 16 16 SER H H 16 7.968 8.174 -0.206 1
1 128 . 12 1 1 A 16 16 SER HA H 16 4.064 4.209 -0.145 1
1 131 . 12 1 1 A 16 16 SER C C 16 176.897 177.405 -0.508 1
1 132 . 12 1 1 A 16 16 SER CA C 16 61.915 61.566 0.349 1
1 133 . 12 1 1 A 16 16 SER CB C 16 62.496 63.022 -0.526 1
1 134 . 12 1 1 A 16 16 SER N N 16 113.400 113.822 -0.422 1
1 135 . 12 1 1 A 17 17 LEU H H 17 7.487 7.840 -0.353 1
1 136 . 12 1 1 A 17 17 LEU HA H 17 3.980 3.874 0.106 1
1 140 . 12 1 1 A 17 17 LEU C C 17 178.547 178.717 -0.170 1
1 141 . 12 1 1 A 17 17 LEU CA C 17 58.205 58.069 0.136 1
1 142 . 12 1 1 A 17 17 LEU CB C 17 41.973 41.690 0.283 1
1 143 . 12 1 1 A 17 17 LEU N N 17 122.840 122.188 0.652 1
1 144 . 12 1 1 A 18 18 LEU H H 18 7.950 7.582 0.368 1
1 145 . 12 1 1 A 18 18 LEU HA H 18 3.982 3.832 0.150 1
1 154 . 12 1 1 A 18 18 LEU C C 18 178.645 178.759 -0.114 1
1 155 . 12 1 1 A 18 18 LEU CA C 18 58.203 57.891 0.312 1
1 156 . 12 1 1 A 18 18 LEU CB C 18 38.932 40.800 -1.868 1
1 160 . 12 1 1 A 18 18 LEU N N 18 118.407 118.029 0.378 1
1 161 . 12 1 1 A 19 19 LYS H H 19 8.352 7.817 0.535 1
1 162 . 12 1 1 A 19 19 LYS HA H 19 4.051 4.049 0.002 1
1 169 . 12 1 1 A 19 19 LYS C C 19 178.960 178.479 0.481 1
1 170 . 12 1 1 A 19 19 LYS CA C 19 60.537 59.661 0.876 1
1 171 . 12 1 1 A 19 19 LYS CB C 19 32.332 32.534 -0.202 1
1 175 . 12 1 1 A 19 19 LYS N N 19 118.242 119.708 -1.466 1
1 176 . 12 1 1 A 20 20 ALA H H 20 7.717 8.421 -0.704 1
1 177 . 12 1 1 A 20 20 ALA HA H 20 4.202 4.044 0.158 1
1 181 . 12 1 1 A 20 20 ALA C C 20 180.732 179.798 0.934 1
1 182 . 12 1 1 A 20 20 ALA CA C 20 54.879 55.203 -0.324 1
1 183 . 12 1 1 A 20 20 ALA CB C 20 17.608 18.476 -0.868 1
1 184 . 12 1 1 A 20 20 ALA N N 20 122.505 121.382 1.123 1
1 185 . 12 1 1 A 21 21 TYR HA H 21 4.236 4.291 -0.055 1
1 192 . 12 1 1 A 21 21 TYR C C 21 178.839 178.179 0.660 1
1 193 . 12 1 1 A 21 21 TYR CA C 21 63.047 60.802 2.245 1
1 194 . 12 1 1 A 21 21 TYR CB C 21 38.388 38.614 -0.226 1
1 199 . 12 1 1 A 22 22 TYR H H 22 8.857 8.469 0.388 1
1 200 . 12 1 1 A 22 22 TYR HA H 22 4.305 4.736 -0.431 1
1 207 . 12 1 1 A 22 22 TYR C C 22 176.338 177.301 -0.963 1
1 208 . 12 1 1 A 22 22 TYR CA C 22 61.389 61.978 -0.589 1
1 209 . 12 1 1 A 22 22 TYR CB C 22 38.790 39.031 -0.241 1
1 214 . 12 1 1 A 22 22 TYR N N 22 122.639 119.831 2.808 1
1 215 . 12 1 1 A 23 23 ALA H H 23 7.762 8.104 -0.342 1
1 216 . 12 1 1 A 23 23 ALA HA H 23 4.047 4.233 -0.186 1
1 220 . 12 1 1 A 23 23 ALA C C 23 179.179 179.602 -0.423 1
1 221 . 12 1 1 A 23 23 ALA CA C 23 53.906 55.237 -1.331 1
1 222 . 12 1 1 A 23 23 ALA CB C 23 18.328 18.517 -0.189 1
1 223 . 12 1 1 A 23 23 ALA N N 23 117.361 121.731 -4.370 1
1 224 . 12 1 1 A 24 24 LEU H H 24 7.267 7.679 -0.412 1
1 225 . 12 1 1 A 24 24 LEU HA H 24 4.210 4.095 0.115 1
1 235 . 12 1 1 A 24 24 LEU C C 24 177.673 176.532 1.141 1
1 236 . 12 1 1 A 24 24 LEU CA C 24 56.382 57.412 -1.030 1
1 237 . 12 1 1 A 24 24 LEU CB C 24 42.933 41.942 0.991 1
1 241 . 12 1 1 A 24 24 LEU N N 24 117.259 115.549 1.710 1
1 242 . 12 1 1 A 25 25 ASN H H 25 7.862 8.330 -0.468 1
1 243 . 12 1 1 A 25 25 ASN HA H 25 4.466 4.937 -0.471 1
1 248 . 12 1 1 A 25 25 ASN C C 25 173.036 175.107 -2.071 1
1 249 . 12 1 1 A 25 25 ASN CA C 25 53.077 51.441 1.636 1
1 250 . 12 1 1 A 25 25 ASN CB C 25 37.853 38.717 -0.864 1
1 251 . 12 1 1 A 25 25 ASN N N 25 116.521 118.092 -1.571 1
1 253 . 12 1 1 A 26 26 ALA H H 26 8.283 8.405 -0.122 1
1 254 . 12 1 1 A 26 26 ALA HA H 26 3.905 2.713 1.192 1
1 258 . 12 1 1 A 26 26 ALA C C 26 177.212 177.691 -0.479 1
1 259 . 12 1 1 A 26 26 ALA CA C 26 53.323 54.850 -1.527 1
1 260 . 12 1 1 A 26 26 ALA CB C 26 19.548 18.411 1.137 1
1 261 . 12 1 1 A 26 26 ALA N N 26 126.202 127.884 -1.682 1
1 262 . 12 1 1 A 27 27 GLN H H 27 7.729 7.712 0.017 1
1 263 . 12 1 1 A 27 27 GLN HA H 27 4.619 4.333 0.286 1
1 270 . 12 1 1 A 27 27 GLN C C 27 172.090 174.352 -2.262 1
1 271 . 12 1 1 A 27 27 GLN CA C 27 52.706 53.130 -0.424 1
1 272 . 12 1 1 A 27 27 GLN CB C 27 29.636 28.438 1.198 1
1 274 . 12 1 1 A 27 27 GLN N N 27 113.721 113.340 0.381 1
1 276 . 12 1 1 A 28 28 PRO HA H 28 4.485 4.487 -0.002 1
1 283 . 12 1 1 A 28 28 PRO C C 28 177.018 176.414 0.604 1
1 284 . 12 1 1 A 28 28 PRO CA C 28 62.562 62.217 0.345 1
1 285 . 12 1 1 A 28 28 PRO CB C 28 31.813 32.327 -0.514 1
1 288 . 12 1 1 A 29 29 SER H H 29 9.097 8.264 0.833 1
1 289 . 12 1 1 A 29 29 SER HA H 29 4.398 4.545 -0.147 1
1 292 . 12 1 1 A 29 29 SER C C 29 174.372 175.487 -1.115 1
1 293 . 12 1 1 A 29 29 SER CA C 29 56.986 56.467 0.519 1
1 294 . 12 1 1 A 29 29 SER CB C 29 65.661 66.079 -0.418 1
1 295 . 12 1 1 A 29 29 SER N N 29 118.156 114.678 3.478 1
1 296 . 12 1 1 A 30 30 ALA H H 30 8.916 8.928 -0.012 1
1 297 . 12 1 1 A 30 30 ALA HA H 30 3.965 4.018 -0.053 1
1 301 . 12 1 1 A 30 30 ALA C C 30 180.732 180.065 0.667 1
1 302 . 12 1 1 A 30 30 ALA CA C 30 56.044 55.578 0.466 1
1 303 . 12 1 1 A 30 30 ALA CB C 30 17.925 18.198 -0.273 1
1 304 . 12 1 1 A 30 30 ALA N N 30 123.162 123.450 -0.288 1
1 305 . 12 1 1 A 31 31 GLU H H 31 8.591 8.115 0.476 1
1 306 . 12 1 1 A 31 31 GLU HA H 31 4.011 3.975 0.036 1
1 310 . 12 1 1 A 31 31 GLU C C 31 179.519 179.436 0.083 1
1 311 . 12 1 1 A 31 31 GLU CA C 31 59.788 59.575 0.213 1
1 312 . 12 1 1 A 31 31 GLU CB C 31 29.349 29.286 0.063 1
1 314 . 12 1 1 A 31 31 GLU N N 31 118.280 118.205 0.075 1
1 315 . 12 1 1 A 32 32 GLU H H 32 7.702 7.874 -0.172 1
1 316 . 12 1 1 A 32 32 GLU HA H 32 3.844 4.048 -0.204 1
1 320 . 12 1 1 A 32 32 GLU C C 32 179.446 179.218 0.228 1
1 321 . 12 1 1 A 32 32 GLU CA C 32 59.408 59.041 0.367 1
1 322 . 12 1 1 A 32 32 GLU CB C 32 29.829 29.784 0.045 1
1 324 . 12 1 1 A 32 32 GLU N N 32 121.025 120.200 0.825 1
1 325 . 12 1 1 A 33 33 LEU H H 33 8.679 8.430 0.249 1
1 326 . 12 1 1 A 33 33 LEU HA H 33 3.645 3.904 -0.259 1
1 336 . 12 1 1 A 33 33 LEU C C 33 178.378 178.792 -0.414 1
1 337 . 12 1 1 A 33 33 LEU CA C 33 58.218 57.856 0.362 1
1 338 . 12 1 1 A 33 33 LEU CB C 33 42.339 41.917 0.422 1
1 342 . 12 1 1 A 33 33 LEU N N 33 119.993 121.230 -1.237 1
1 343 . 12 1 1 A 34 34 SER H H 34 7.727 8.195 -0.468 1
1 344 . 12 1 1 A 34 34 SER HA H 34 4.116 4.046 0.070 1
1 347 . 12 1 1 A 34 34 SER C C 34 176.484 177.151 -0.667 1
1 348 . 12 1 1 A 34 34 SER CA C 34 62.063 61.639 0.424 1
1 349 . 12 1 1 A 34 34 SER CB C 34 62.725 62.942 -0.217 1
1 350 . 12 1 1 A 34 34 SER N N 34 113.341 113.100 0.241 1
1 351 . 12 1 1 A 35 35 LYS H H 35 7.525 7.372 0.153 1
1 352 . 12 1 1 A 35 35 LYS HA H 35 4.122 3.945 0.177 1
1 361 . 12 1 1 A 35 35 LYS C C 35 180.368 178.517 1.851 1
1 362 . 12 1 1 A 35 35 LYS CA C 35 59.502 59.862 -0.360 1
1 363 . 12 1 1 A 35 35 LYS CB C 35 32.414 32.374 0.040 1
1 367 . 12 1 1 A 35 35 LYS N N 35 120.812 121.221 -0.409 1
1 368 . 12 1 1 A 36 36 ILE H H 36 8.219 8.235 -0.016 1
1 369 . 12 1 1 A 36 36 ILE HA H 36 3.280 3.635 -0.355 1
1 379 . 12 1 1 A 36 36 ILE C C 36 178.159 178.061 0.098 1
1 380 . 12 1 1 A 36 36 ILE CA C 36 65.794 65.133 0.661 1
1 381 . 12 1 1 A 36 36 ILE CB C 36 38.008 37.168 0.840 1
1 385 . 12 1 1 A 36 36 ILE N N 36 122.240 119.533 2.707 1
1 386 . 12 1 1 A 37 37 ALA H H 37 8.438 8.367 0.071 1
1 387 . 12 1 1 A 37 37 ALA HA H 37 3.862 4.005 -0.143 1
1 391 . 12 1 1 A 37 37 ALA C C 37 179.276 178.874 0.402 1
1 392 . 12 1 1 A 37 37 ALA CA C 37 56.223 55.706 0.517 1
1 393 . 12 1 1 A 37 37 ALA CB C 37 17.186 18.420 -1.234 1
1 394 . 12 1 1 A 37 37 ALA N N 37 122.058 122.315 -0.257 1
1 395 . 12 1 1 A 38 38 ASP H H 38 8.072 8.190 -0.118 1
1 396 . 12 1 1 A 38 38 ASP HA H 38 4.495 4.340 0.155 1
1 399 . 12 1 1 A 38 38 ASP C C 38 178.984 178.439 0.545 1
1 400 . 12 1 1 A 38 38 ASP CA C 38 56.857 57.494 -0.637 1
1 401 . 12 1 1 A 38 38 ASP CB C 38 40.813 41.770 -0.957 1
1 402 . 12 1 1 A 38 38 ASP N N 38 115.894 119.163 -3.269 1
1 403 . 12 1 1 A 39 39 SER H H 39 7.954 7.647 0.307 1
1 404 . 12 1 1 A 39 39 SER HA H 39 4.247 4.253 -0.006 1
1 406 . 12 1 1 A 39 39 SER C C 39 175.610 176.194 -0.584 1
1 407 . 12 1 1 A 39 39 SER CA C 39 61.580 62.580 -1.000 1
1 408 . 12 1 1 A 39 39 SER CB C 39 63.373 63.201 0.172 1
1 409 . 12 1 1 A 39 39 SER N N 39 114.432 116.516 -2.084 1
1 410 . 12 1 1 A 40 40 VAL H H 40 7.850 7.380 0.470 1
1 411 . 12 1 1 A 40 40 VAL HA H 40 4.456 4.270 0.186 1
1 419 . 12 1 1 A 40 40 VAL C C 40 174.445 174.624 -0.179 1
1 420 . 12 1 1 A 40 40 VAL CA C 40 60.913 61.340 -0.427 1
1 421 . 12 1 1 A 40 40 VAL CB C 40 31.778 31.219 0.559 1
1 424 . 12 1 1 A 40 40 VAL N N 40 111.349 114.983 -3.634 1
1 425 . 12 1 1 A 41 41 ASN H H 41 7.804 8.001 -0.197 1
1 426 . 12 1 1 A 41 41 ASN HA H 41 4.348 4.328 0.020 1
1 431 . 12 1 1 A 41 41 ASN C C 41 174.008 173.781 0.227 1
1 432 . 12 1 1 A 41 41 ASN CA C 41 54.066 54.429 -0.363 1
1 433 . 12 1 1 A 41 41 ASN CB C 41 37.225 36.671 0.554 1
1 434 . 12 1 1 A 41 41 ASN N N 41 117.410 116.107 1.303 1
1 436 . 12 1 1 A 42 42 LEU H H 42 7.904 7.503 0.401 1
1 437 . 12 1 1 A 42 42 LEU HA H 42 5.001 4.788 0.213 1
1 447 . 12 1 1 A 42 42 LEU C C 42 173.886 174.192 -0.306 1
1 448 . 12 1 1 A 42 42 LEU CA C 42 51.484 51.487 -0.003 1
1 449 . 12 1 1 A 42 42 LEU CB C 42 45.928 44.675 1.253 1
1 453 . 12 1 1 A 42 42 LEU N N 42 117.347 118.940 -1.593 1
1 454 . 12 1 1 A 43 43 PRO HA H 43 4.423 4.574 -0.151 1
1 461 . 12 1 1 A 43 43 PRO C C 43 178.013 176.693 1.320 1
1 462 . 12 1 1 A 43 43 PRO CA C 43 62.234 62.304 -0.070 1
1 463 . 12 1 1 A 43 43 PRO CB C 43 32.616 33.556 -0.940 1
1 466 . 12 1 1 A 44 44 LEU H H 44 8.758 8.873 -0.115 1
1 467 . 12 1 1 A 44 44 LEU HA H 44 3.780 4.189 -0.409 1
1 477 . 12 1 1 A 44 44 LEU C C 44 178.208 178.241 -0.033 1
1 478 . 12 1 1 A 44 44 LEU CA C 44 58.592 56.957 1.635 1
1 479 . 12 1 1 A 44 44 LEU CB C 44 41.747 41.889 -0.142 1
1 483 . 12 1 1 A 44 44 LEU N N 44 125.847 122.407 3.440 1
1 484 . 12 1 1 A 45 45 ASP H H 45 8.822 8.457 0.365 1
1 485 . 12 1 1 A 45 45 ASP HA H 45 4.270 4.377 -0.107 1
1 488 . 12 1 1 A 45 45 ASP C C 45 178.523 178.635 -0.112 1
1 489 . 12 1 1 A 45 45 ASP CA C 45 57.621 57.105 0.516 1
1 490 . 12 1 1 A 45 45 ASP CB C 45 40.612 40.028 0.584 1
1 491 . 12 1 1 A 45 45 ASP N N 45 114.687 118.092 -3.405 1
1 492 . 12 1 1 A 46 46 VAL H H 46 7.098 7.993 -0.895 1
1 493 . 12 1 1 A 46 46 VAL HA H 46 3.707 3.697 0.010 1
1 501 . 12 1 1 A 46 46 VAL C C 46 178.353 178.562 -0.209 1
1 502 . 12 1 1 A 46 46 VAL CA C 46 65.770 66.459 -0.689 1
1 503 . 12 1 1 A 46 46 VAL CB C 46 32.179 31.633 0.546 1
1 506 . 12 1 1 A 46 46 VAL N N 46 118.849 120.326 -1.477 1
1 507 . 12 1 1 A 47 47 VAL H H 47 7.429 7.669 -0.240 1
1 508 . 12 1 1 A 47 47 VAL HA H 47 3.633 3.655 -0.022 1
1 516 . 12 1 1 A 47 47 VAL C C 47 177.698 178.352 -0.654 1
1 517 . 12 1 1 A 47 47 VAL CA C 47 67.413 66.745 0.668 1
1 518 . 12 1 1 A 47 47 VAL CB C 47 32.258 31.709 0.549 1
1 521 . 12 1 1 A 47 47 VAL N N 47 120.616 120.761 -0.145 1
1 522 . 12 1 1 A 48 48 LYS H H 48 9.110 7.939 1.171 1
1 523 . 12 1 1 A 48 48 LYS HA H 48 4.005 4.081 -0.076 1
1 531 . 12 1 1 A 48 48 LYS C C 48 178.717 179.556 -0.839 1
1 532 . 12 1 1 A 48 48 LYS CA C 48 60.749 60.533 0.216 1
1 533 . 12 1 1 A 48 48 LYS CB C 48 33.140 32.490 0.650 1
1 537 . 12 1 1 A 48 48 LYS N N 48 119.748 119.065 0.683 1
1 538 . 12 1 1 A 49 49 LYS H H 49 7.901 8.030 -0.129 1
1 539 . 12 1 1 A 49 49 LYS HA H 49 4.116 4.047 0.069 1
1 547 . 12 1 1 A 49 49 LYS C C 49 178.863 178.737 0.126 1
1 548 . 12 1 1 A 49 49 LYS CA C 49 59.087 59.680 -0.593 1
1 549 . 12 1 1 A 49 49 LYS CB C 49 32.085 32.251 -0.166 1
1 553 . 12 1 1 A 49 49 LYS N N 49 117.787 119.430 -1.643 1
1 554 . 12 1 1 A 50 50 TRP H H 50 8.060 7.893 0.167 1
1 555 . 12 1 1 A 50 50 TRP HA H 50 4.089 4.223 -0.134 1
1 564 . 12 1 1 A 50 50 TRP C C 50 178.547 178.044 0.503 1
1 565 . 12 1 1 A 50 50 TRP CA C 50 62.575 60.729 1.846 1
1 566 . 12 1 1 A 50 50 TRP CB C 50 28.755 29.726 -0.971 1
1 572 . 12 1 1 A 50 50 TRP N N 50 121.102 121.709 -0.607 1
1 574 . 12 1 1 A 51 51 PHE H H 51 8.695 8.348 0.347 1
1 575 . 12 1 1 A 51 51 PHE HA H 51 3.750 4.534 -0.784 1
1 583 . 12 1 1 A 51 51 PHE C C 51 178.620 178.354 0.266 1
1 584 . 12 1 1 A 51 51 PHE CA C 51 63.542 62.223 1.319 1
1 585 . 12 1 1 A 51 51 PHE CB C 51 39.112 38.810 0.302 1
1 591 . 12 1 1 A 51 51 PHE N N 51 118.773 118.283 0.490 1
1 592 . 12 1 1 A 52 52 GLU H H 52 8.399 8.254 0.145 1
1 593 . 12 1 1 A 52 52 GLU HA H 52 4.077 3.919 0.158 1
1 598 . 12 1 1 A 52 52 GLU C C 52 179.834 179.197 0.637 1
1 599 . 12 1 1 A 52 52 GLU CA C 52 59.657 59.881 -0.224 1
1 600 . 12 1 1 A 52 52 GLU CB C 52 29.561 29.688 -0.127 1
1 602 . 12 1 1 A 52 52 GLU N N 52 118.518 118.619 -0.101 1
1 603 . 12 1 1 A 53 53 LYS H H 53 7.957 8.066 -0.109 1
1 604 . 12 1 1 A 53 53 LYS HA H 53 3.981 3.968 0.013 1
1 612 . 12 1 1 A 53 53 LYS C C 53 179.349 178.740 0.609 1
1 613 . 12 1 1 A 53 53 LYS CA C 53 59.087 59.206 -0.119 1
1 614 . 12 1 1 A 53 53 LYS CB C 53 32.091 32.148 -0.057 1
1 618 . 12 1 1 A 53 53 LYS N N 53 120.286 119.483 0.803 1
1 619 . 12 1 1 A 54 54 MET H H 54 7.762 8.037 -0.275 1
1 620 . 12 1 1 A 54 54 MET HA H 54 3.853 3.781 0.072 1
1 626 . 12 1 1 A 54 54 MET C C 54 179.349 178.048 1.301 1
1 627 . 12 1 1 A 54 54 MET CA C 54 57.071 57.974 -0.903 1
1 628 . 12 1 1 A 54 54 MET CB C 54 31.158 31.087 0.071 1
1 631 . 12 1 1 A 54 54 MET N N 54 119.874 118.548 1.326 1
1 632 . 12 1 1 A 55 55 GLN H H 55 8.284 7.960 0.324 1
1 633 . 12 1 1 A 55 55 GLN HA H 55 4.172 4.129 0.043 1
1 640 . 12 1 1 A 55 55 GLN C C 55 178.013 177.582 0.431 1
1 641 . 12 1 1 A 55 55 GLN CA C 55 57.906 58.656 -0.750 1
1 642 . 12 1 1 A 55 55 GLN CB C 55 28.308 28.402 -0.094 1
1 644 . 12 1 1 A 55 55 GLN N N 55 119.171 118.311 0.860 1
1 646 . 12 1 1 A 56 56 ALA H H 56 7.665 7.570 0.095 1
1 647 . 12 1 1 A 56 56 ALA HA H 56 4.289 4.375 -0.086 1
1 651 . 12 1 1 A 56 56 ALA C C 56 178.572 177.709 0.863 1
1 652 . 12 1 1 A 56 56 ALA CA C 56 53.041 51.914 1.127 1
1 653 . 12 1 1 A 56 56 ALA CB C 56 18.784 19.274 -0.490 1
1 654 . 12 1 1 A 56 56 ALA N N 56 120.252 119.077 1.175 1
1 655 . 12 1 1 A 57 57 GLY H H 57 7.802 7.905 -0.103 1
1 656 . 12 1 1 A 57 57 GLY HA2 H 57 3.945 3.835 0.110 1
1 657 . 12 1 1 A 57 57 GLY HA3 H 57 3.945 3.866 0.079 1
1 658 . 12 1 1 A 57 57 GLY C C 57 174.809 174.831 -0.022 1
1 659 . 12 1 1 A 57 57 GLY CA C 57 45.748 46.661 -0.913 1
1 660 . 12 1 1 A 57 57 GLY N N 57 106.361 107.312 -0.951 1
1 661 . 12 1 1 A 58 58 GLN H H 58 7.961 7.811 0.150 1
1 662 . 12 1 1 A 58 58 GLN HA H 58 4.280 4.383 -0.103 1
1 669 . 12 1 1 A 58 58 GLN C C 58 175.877 177.389 -1.512 1
1 670 . 12 1 1 A 58 58 GLN CA C 58 55.890 56.592 -0.702 1
1 671 . 12 1 1 A 58 58 GLN CB C 58 29.211 30.428 -1.217 1
1 673 . 12 1 1 A 58 58 GLN N N 58 118.690 116.921 1.769 1
1 675 . 12 1 1 A 59 59 ILE H H 59 7.828 7.470 0.358 1
1 676 . 12 1 1 A 59 59 ILE HA H 59 4.178 3.935 0.243 1
1 686 . 12 1 1 A 59 59 ILE C C 59 175.950 175.866 0.084 1
1 687 . 12 1 1 A 59 59 ILE CA C 59 60.796 63.413 -2.617 1
1 688 . 12 1 1 A 59 59 ILE CB C 59 38.884 38.533 0.351 1
1 692 . 12 1 1 A 59 59 ILE N N 59 119.986 117.865 2.121 1
1 693 . 12 1 1 A 60 60 SER H H 60 8.358 7.677 0.681 1
1 694 . 12 1 1 A 60 60 SER HA H 60 4.485 4.711 -0.226 1
1 697 . 12 1 1 A 60 60 SER C C 60 174.542 171.664 2.878 1
1 698 . 12 1 1 A 60 60 SER CA C 60 58.000 57.034 0.966 1
1 699 . 12 1 1 A 60 60 SER CB C 60 63.869 65.456 -1.587 1
1 700 . 12 1 1 A 60 60 SER N N 60 119.848 112.633 7.215 1
1 701 . 12 1 1 A 61 61 VAL H H 61 8.223 8.535 -0.312 1
1 702 . 12 1 1 A 61 61 VAL HA H 61 4.132 4.758 -0.626 1
1 710 . 12 1 1 A 61 61 VAL C C 61 176.023 175.081 0.942 1
1 711 . 12 1 1 A 61 61 VAL CA C 61 62.254 59.963 2.291 1
1 712 . 12 1 1 A 61 61 VAL CB C 61 32.702 35.465 -2.763 1
1 715 . 12 1 1 A 61 61 VAL N N 61 121.796 121.757 0.039 1
1 716 . 12 1 1 A 62 62 GLN H H 62 8.405 8.921 -0.516 1
1 717 . 12 1 1 A 62 62 GLN HA H 62 4.389 4.481 -0.092 1
1 724 . 12 1 1 A 62 62 GLN C C 62 175.901 175.411 0.490 1
1 725 . 12 1 1 A 62 62 GLN CA C 62 55.792 57.325 -1.533 1
1 726 . 12 1 1 A 62 62 GLN CB C 62 29.530 31.691 -2.161 1
1 728 . 12 1 1 A 62 62 GLN N N 62 123.728 127.439 -3.711 1
1 730 . 12 1 1 A 63 63 SER H H 63 8.396 8.320 0.076 1
1 731 . 12 1 1 A 63 63 SER HA H 63 4.482 4.905 -0.423 1
1 734 . 12 1 1 A 63 63 SER C C 63 173.668 173.061 0.607 1
1 735 . 12 1 1 A 63 63 SER CA C 63 58.445 56.506 1.939 1
1 736 . 12 1 1 A 63 63 SER CB C 63 63.964 66.993 -3.029 1
1 737 . 12 1 1 A 63 63 SER N N 63 118.100 111.372 6.728 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.502 4.215 0.287 1
1 4 . 13 1 1 A 6 6 SER C C 6 175.076 175.306 -0.230 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.733 59.270 -0.537 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.809 63.611 0.198 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.416 8.750 -0.334 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.966 4.002 -0.036 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.966 4.003 -0.037 1
1 10 . 13 1 1 A 7 7 GLY C C 7 173.813 173.852 -0.039 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.226 45.951 -0.725 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.646 114.328 -3.682 1
1 13 . 13 1 1 A 8 8 GLN H H 8 8.187 8.015 0.172 1
1 14 . 13 1 1 A 8 8 GLN HA H 8 4.656 4.682 -0.026 1
1 21 . 13 1 1 A 8 8 GLN C C 8 173.741 174.309 -0.568 1
1 22 . 13 1 1 A 8 8 GLN CA C 8 53.677 53.561 0.116 1
1 23 . 13 1 1 A 8 8 GLN CB C 8 29.079 30.229 -1.150 1
1 25 . 13 1 1 A 8 8 GLN N N 8 120.767 124.323 -3.556 1
1 27 . 13 1 1 A 9 9 PRO HA H 9 4.723 4.637 0.086 1
1 34 . 13 1 1 A 9 9 PRO CB C 9 27.766 31.576 -3.810 1
1 37 . 13 1 1 A 10 10 PRO HA H 10 4.444 4.610 -0.166 1
1 43 . 13 1 1 A 10 10 PRO C C 10 177.309 176.470 0.839 1
1 44 . 13 1 1 A 10 10 PRO CA C 10 63.083 62.227 0.856 1
1 45 . 13 1 1 A 10 10 PRO CB C 10 31.881 32.363 -0.482 1
1 48 . 13 1 1 A 11 11 LEU H H 11 8.323 8.323 0.000 1
1 49 . 13 1 1 A 11 11 LEU HA H 11 4.105 4.109 -0.004 1
1 59 . 13 1 1 A 11 11 LEU C C 11 178.232 177.853 0.379 1
1 60 . 13 1 1 A 11 11 LEU CA C 11 56.572 55.837 0.735 1
1 61 . 13 1 1 A 11 11 LEU CB C 11 42.000 43.026 -1.026 1
1 64 . 13 1 1 A 11 11 LEU N N 11 122.449 123.220 -0.771 1
1 65 . 13 1 1 A 12 12 LYS H H 12 8.319 8.672 -0.353 1
1 66 . 13 1 1 A 12 12 LYS HA H 12 3.986 4.029 -0.043 1
1 73 . 13 1 1 A 12 12 LYS C C 12 177.722 178.096 -0.374 1
1 74 . 13 1 1 A 12 12 LYS CA C 12 58.842 59.211 -0.369 1
1 75 . 13 1 1 A 12 12 LYS CB C 12 32.388 32.009 0.379 1
1 79 . 13 1 1 A 12 12 LYS N N 12 118.575 125.312 -6.737 1
1 80 . 13 1 1 A 13 13 ASN H H 13 8.076 8.309 -0.233 1
1 81 . 13 1 1 A 13 13 ASN HA H 13 4.597 4.398 0.199 1
1 86 . 13 1 1 A 13 13 ASN C C 13 176.702 177.824 -1.122 1
1 87 . 13 1 1 A 13 13 ASN CA C 13 54.525 56.666 -2.141 1
1 88 . 13 1 1 A 13 13 ASN CB C 13 38.035 38.024 0.011 1
1 89 . 13 1 1 A 13 13 ASN N N 13 117.381 118.411 -1.030 1
1 91 . 13 1 1 A 14 14 LEU H H 14 7.948 8.426 -0.478 1
1 92 . 13 1 1 A 14 14 LEU HA H 14 4.099 3.891 0.208 1
1 102 . 13 1 1 A 14 14 LEU C C 14 177.868 178.240 -0.372 1
1 103 . 13 1 1 A 14 14 LEU CA C 14 56.861 58.811 -1.950 1
1 104 . 13 1 1 A 14 14 LEU CB C 14 42.012 41.879 0.133 1
1 108 . 13 1 1 A 14 14 LEU N N 14 121.775 122.052 -0.277 1
1 109 . 13 1 1 A 15 15 LEU H H 15 7.996 7.842 0.154 1
1 110 . 13 1 1 A 15 15 LEU HA H 15 3.705 3.703 0.002 1
1 120 . 13 1 1 A 15 15 LEU C C 15 178.887 179.176 -0.289 1
1 121 . 13 1 1 A 15 15 LEU CA C 15 58.201 57.780 0.421 1
1 122 . 13 1 1 A 15 15 LEU CB C 15 41.067 41.079 -0.012 1
1 126 . 13 1 1 A 15 15 LEU N N 15 119.072 116.463 2.609 1
1 127 . 13 1 1 A 16 16 SER H H 16 7.968 7.722 0.246 1
1 128 . 13 1 1 A 16 16 SER HA H 16 4.064 4.278 -0.214 1
1 131 . 13 1 1 A 16 16 SER C C 16 176.897 176.257 0.640 1
1 132 . 13 1 1 A 16 16 SER CA C 16 61.915 62.039 -0.124 1
1 133 . 13 1 1 A 16 16 SER CB C 16 62.496 63.000 -0.504 1
1 134 . 13 1 1 A 16 16 SER N N 16 113.400 116.639 -3.239 1
1 135 . 13 1 1 A 17 17 LEU H H 17 7.487 7.693 -0.206 1
1 136 . 13 1 1 A 17 17 LEU HA H 17 3.980 4.006 -0.026 1
1 140 . 13 1 1 A 17 17 LEU C C 17 178.547 179.356 -0.809 1
1 141 . 13 1 1 A 17 17 LEU CA C 17 58.205 57.422 0.783 1
1 142 . 13 1 1 A 17 17 LEU CB C 17 41.973 41.679 0.294 1
1 143 . 13 1 1 A 17 17 LEU N N 17 122.840 121.849 0.991 1
1 144 . 13 1 1 A 18 18 LEU H H 18 7.950 7.584 0.366 1
1 145 . 13 1 1 A 18 18 LEU HA H 18 3.982 3.737 0.245 1
1 154 . 13 1 1 A 18 18 LEU C C 18 178.645 178.898 -0.253 1
1 155 . 13 1 1 A 18 18 LEU CA C 18 58.203 57.748 0.455 1
1 156 . 13 1 1 A 18 18 LEU CB C 18 38.932 40.623 -1.691 1
1 160 . 13 1 1 A 18 18 LEU N N 18 118.407 118.658 -0.251 1
1 161 . 13 1 1 A 19 19 LYS H H 19 8.352 7.632 0.720 1
1 162 . 13 1 1 A 19 19 LYS HA H 19 4.051 4.141 -0.090 1
1 169 . 13 1 1 A 19 19 LYS C C 19 178.960 178.917 0.043 1
1 170 . 13 1 1 A 19 19 LYS CA C 19 60.537 59.981 0.556 1
1 171 . 13 1 1 A 19 19 LYS CB C 19 32.332 32.286 0.046 1
1 175 . 13 1 1 A 19 19 LYS N N 19 118.242 116.980 1.262 1
1 176 . 13 1 1 A 20 20 ALA H H 20 7.717 8.041 -0.324 1
1 177 . 13 1 1 A 20 20 ALA HA H 20 4.202 4.019 0.183 1
1 181 . 13 1 1 A 20 20 ALA C C 20 180.732 179.612 1.120 1
1 182 . 13 1 1 A 20 20 ALA CA C 20 54.879 55.176 -0.297 1
1 183 . 13 1 1 A 20 20 ALA CB C 20 17.608 18.392 -0.784 1
1 184 . 13 1 1 A 20 20 ALA N N 20 122.505 122.116 0.389 1
1 185 . 13 1 1 A 21 21 TYR HA H 21 4.236 4.379 -0.143 1
1 192 . 13 1 1 A 21 21 TYR C C 21 178.839 178.568 0.271 1
1 193 . 13 1 1 A 21 21 TYR CA C 21 63.047 60.755 2.292 1
1 194 . 13 1 1 A 21 21 TYR CB C 21 38.388 38.160 0.228 1
1 199 . 13 1 1 A 22 22 TYR H H 22 8.857 8.161 0.696 1
1 200 . 13 1 1 A 22 22 TYR HA H 22 4.305 4.799 -0.494 1
1 207 . 13 1 1 A 22 22 TYR C C 22 176.338 177.935 -1.597 1
1 208 . 13 1 1 A 22 22 TYR CA C 22 61.389 61.866 -0.477 1
1 209 . 13 1 1 A 22 22 TYR CB C 22 38.790 39.338 -0.548 1
1 214 . 13 1 1 A 22 22 TYR N N 22 122.639 120.666 1.973 1
1 215 . 13 1 1 A 23 23 ALA H H 23 7.762 8.538 -0.776 1
1 216 . 13 1 1 A 23 23 ALA HA H 23 4.047 4.010 0.037 1
1 220 . 13 1 1 A 23 23 ALA C C 23 179.179 178.940 0.239 1
1 221 . 13 1 1 A 23 23 ALA CA C 23 53.906 55.181 -1.275 1
1 222 . 13 1 1 A 23 23 ALA CB C 23 18.328 18.484 -0.156 1
1 223 . 13 1 1 A 23 23 ALA N N 23 117.361 121.940 -4.579 1
1 224 . 13 1 1 A 24 24 LEU H H 24 7.267 7.731 -0.464 1
1 225 . 13 1 1 A 24 24 LEU HA H 24 4.210 4.399 -0.189 1
1 235 . 13 1 1 A 24 24 LEU C C 24 177.673 176.464 1.209 1
1 236 . 13 1 1 A 24 24 LEU CA C 24 56.382 55.781 0.601 1
1 237 . 13 1 1 A 24 24 LEU CB C 24 42.933 42.923 0.010 1
1 241 . 13 1 1 A 24 24 LEU N N 24 117.259 113.445 3.814 1
1 242 . 13 1 1 A 25 25 ASN H H 25 7.862 8.200 -0.338 1
1 243 . 13 1 1 A 25 25 ASN HA H 25 4.466 4.829 -0.363 1
1 248 . 13 1 1 A 25 25 ASN C C 25 173.036 175.711 -2.675 1
1 249 . 13 1 1 A 25 25 ASN CA C 25 53.077 51.684 1.393 1
1 250 . 13 1 1 A 25 25 ASN CB C 25 37.853 38.222 -0.369 1
1 251 . 13 1 1 A 25 25 ASN N N 25 116.521 118.104 -1.583 1
1 253 . 13 1 1 A 26 26 ALA H H 26 8.283 8.476 -0.193 1
1 254 . 13 1 1 A 26 26 ALA HA H 26 3.905 3.679 0.226 1
1 258 . 13 1 1 A 26 26 ALA C C 26 177.212 178.148 -0.936 1
1 259 . 13 1 1 A 26 26 ALA CA C 26 53.323 55.314 -1.991 1
1 260 . 13 1 1 A 26 26 ALA CB C 26 19.548 18.990 0.558 1
1 261 . 13 1 1 A 26 26 ALA N N 26 126.202 128.454 -2.252 1
1 262 . 13 1 1 A 27 27 GLN H H 27 7.729 8.010 -0.281 1
1 263 . 13 1 1 A 27 27 GLN HA H 27 4.619 4.650 -0.031 1
1 270 . 13 1 1 A 27 27 GLN C C 27 172.090 174.491 -2.401 1
1 271 . 13 1 1 A 27 27 GLN CA C 27 52.706 53.111 -0.405 1
1 272 . 13 1 1 A 27 27 GLN CB C 27 29.636 28.757 0.879 1
1 274 . 13 1 1 A 27 27 GLN N N 27 113.721 113.709 0.012 1
1 276 . 13 1 1 A 28 28 PRO HA H 28 4.485 4.539 -0.054 1
1 283 . 13 1 1 A 28 28 PRO C C 28 177.018 176.455 0.563 1
1 284 . 13 1 1 A 28 28 PRO CA C 28 62.562 62.274 0.288 1
1 285 . 13 1 1 A 28 28 PRO CB C 28 31.813 32.313 -0.500 1
1 288 . 13 1 1 A 29 29 SER H H 29 9.097 8.287 0.810 1
1 289 . 13 1 1 A 29 29 SER HA H 29 4.398 4.643 -0.245 1
1 292 . 13 1 1 A 29 29 SER C C 29 174.372 175.449 -1.077 1
1 293 . 13 1 1 A 29 29 SER CA C 29 56.986 56.352 0.634 1
1 294 . 13 1 1 A 29 29 SER CB C 29 65.661 65.735 -0.074 1
1 295 . 13 1 1 A 29 29 SER N N 29 118.156 114.472 3.684 1
1 296 . 13 1 1 A 30 30 ALA H H 30 8.916 8.976 -0.060 1
1 297 . 13 1 1 A 30 30 ALA HA H 30 3.965 3.994 -0.029 1
1 301 . 13 1 1 A 30 30 ALA C C 30 180.732 179.902 0.830 1
1 302 . 13 1 1 A 30 30 ALA CA C 30 56.044 55.465 0.579 1
1 303 . 13 1 1 A 30 30 ALA CB C 30 17.925 18.233 -0.308 1
1 304 . 13 1 1 A 30 30 ALA N N 30 123.162 123.307 -0.145 1
1 305 . 13 1 1 A 31 31 GLU H H 31 8.591 8.066 0.525 1
1 306 . 13 1 1 A 31 31 GLU HA H 31 4.011 3.986 0.025 1
1 310 . 13 1 1 A 31 31 GLU C C 31 179.519 179.475 0.044 1
1 311 . 13 1 1 A 31 31 GLU CA C 31 59.788 59.621 0.167 1
1 312 . 13 1 1 A 31 31 GLU CB C 31 29.349 29.305 0.044 1
1 314 . 13 1 1 A 31 31 GLU N N 31 118.280 118.076 0.204 1
1 315 . 13 1 1 A 32 32 GLU H H 32 7.702 7.876 -0.174 1
1 316 . 13 1 1 A 32 32 GLU HA H 32 3.844 4.077 -0.233 1
1 320 . 13 1 1 A 32 32 GLU C C 32 179.446 178.864 0.582 1
1 321 . 13 1 1 A 32 32 GLU CA C 32 59.408 58.799 0.609 1
1 322 . 13 1 1 A 32 32 GLU CB C 32 29.829 30.020 -0.191 1
1 324 . 13 1 1 A 32 32 GLU N N 32 121.025 120.508 0.517 1
1 325 . 13 1 1 A 33 33 LEU H H 33 8.679 8.535 0.144 1
1 326 . 13 1 1 A 33 33 LEU HA H 33 3.645 3.908 -0.263 1
1 336 . 13 1 1 A 33 33 LEU C C 33 178.378 178.854 -0.476 1
1 337 . 13 1 1 A 33 33 LEU CA C 33 58.218 57.692 0.526 1
1 338 . 13 1 1 A 33 33 LEU CB C 33 42.339 41.677 0.662 1
1 342 . 13 1 1 A 33 33 LEU N N 33 119.993 121.469 -1.476 1
1 343 . 13 1 1 A 34 34 SER H H 34 7.727 8.254 -0.527 1
1 344 . 13 1 1 A 34 34 SER HA H 34 4.116 4.061 0.055 1
1 347 . 13 1 1 A 34 34 SER C C 34 176.484 177.238 -0.754 1
1 348 . 13 1 1 A 34 34 SER CA C 34 62.063 61.661 0.402 1
1 349 . 13 1 1 A 34 34 SER CB C 34 62.725 62.959 -0.234 1
1 350 . 13 1 1 A 34 34 SER N N 34 113.341 113.009 0.332 1
1 351 . 13 1 1 A 35 35 LYS H H 35 7.525 8.004 -0.479 1
1 352 . 13 1 1 A 35 35 LYS HA H 35 4.122 3.883 0.239 1
1 361 . 13 1 1 A 35 35 LYS C C 35 180.368 179.167 1.201 1
1 362 . 13 1 1 A 35 35 LYS CA C 35 59.502 59.386 0.116 1
1 363 . 13 1 1 A 35 35 LYS CB C 35 32.414 32.293 0.121 1
1 367 . 13 1 1 A 35 35 LYS N N 35 120.812 120.770 0.042 1
1 368 . 13 1 1 A 36 36 ILE H H 36 8.219 8.021 0.198 1
1 369 . 13 1 1 A 36 36 ILE HA H 36 3.280 3.471 -0.191 1
1 379 . 13 1 1 A 36 36 ILE C C 36 178.159 178.220 -0.061 1
1 380 . 13 1 1 A 36 36 ILE CA C 36 65.794 65.118 0.676 1
1 381 . 13 1 1 A 36 36 ILE CB C 36 38.008 37.453 0.555 1
1 385 . 13 1 1 A 36 36 ILE N N 36 122.240 119.984 2.256 1
1 386 . 13 1 1 A 37 37 ALA H H 37 8.438 8.153 0.285 1
1 387 . 13 1 1 A 37 37 ALA HA H 37 3.862 3.987 -0.125 1
1 391 . 13 1 1 A 37 37 ALA C C 37 179.276 178.942 0.334 1
1 392 . 13 1 1 A 37 37 ALA CA C 37 56.223 55.319 0.904 1
1 393 . 13 1 1 A 37 37 ALA CB C 37 17.186 18.050 -0.864 1
1 394 . 13 1 1 A 37 37 ALA N N 37 122.058 121.766 0.292 1
1 395 . 13 1 1 A 38 38 ASP H H 38 8.072 8.370 -0.298 1
1 396 . 13 1 1 A 38 38 ASP HA H 38 4.495 4.421 0.074 1
1 399 . 13 1 1 A 38 38 ASP C C 38 178.984 178.187 0.797 1
1 400 . 13 1 1 A 38 38 ASP CA C 38 56.857 56.748 0.109 1
1 401 . 13 1 1 A 38 38 ASP CB C 38 40.813 41.424 -0.611 1
1 402 . 13 1 1 A 38 38 ASP N N 38 115.894 118.630 -2.736 1
1 403 . 13 1 1 A 39 39 SER H H 39 7.954 7.424 0.530 1
1 404 . 13 1 1 A 39 39 SER HA H 39 4.247 4.356 -0.109 1
1 406 . 13 1 1 A 39 39 SER C C 39 175.610 176.527 -0.917 1
1 407 . 13 1 1 A 39 39 SER CA C 39 61.580 61.225 0.355 1
1 408 . 13 1 1 A 39 39 SER CB C 39 63.373 62.953 0.420 1
1 409 . 13 1 1 A 39 39 SER N N 39 114.432 114.644 -0.212 1
1 410 . 13 1 1 A 40 40 VAL H H 40 7.850 7.150 0.700 1
1 411 . 13 1 1 A 40 40 VAL HA H 40 4.456 4.248 0.208 1
1 419 . 13 1 1 A 40 40 VAL C C 40 174.445 174.670 -0.225 1
1 420 . 13 1 1 A 40 40 VAL CA C 40 60.913 61.297 -0.384 1
1 421 . 13 1 1 A 40 40 VAL CB C 40 31.778 31.146 0.632 1
1 424 . 13 1 1 A 40 40 VAL N N 40 111.349 113.898 -2.549 1
1 425 . 13 1 1 A 41 41 ASN H H 41 7.804 8.011 -0.207 1
1 426 . 13 1 1 A 41 41 ASN HA H 41 4.348 4.301 0.047 1
1 431 . 13 1 1 A 41 41 ASN C C 41 174.008 173.715 0.293 1
1 432 . 13 1 1 A 41 41 ASN CA C 41 54.066 54.380 -0.314 1
1 433 . 13 1 1 A 41 41 ASN CB C 41 37.225 36.746 0.479 1
1 434 . 13 1 1 A 41 41 ASN N N 41 117.410 115.376 2.034 1
1 436 . 13 1 1 A 42 42 LEU H H 42 7.904 7.590 0.314 1
1 437 . 13 1 1 A 42 42 LEU HA H 42 5.001 4.805 0.196 1
1 447 . 13 1 1 A 42 42 LEU C C 42 173.886 174.358 -0.472 1
1 448 . 13 1 1 A 42 42 LEU CA C 42 51.484 51.560 -0.076 1
1 449 . 13 1 1 A 42 42 LEU CB C 42 45.928 44.347 1.581 1
1 453 . 13 1 1 A 42 42 LEU N N 42 117.347 118.888 -1.541 1
1 454 . 13 1 1 A 43 43 PRO HA H 43 4.423 4.570 -0.147 1
1 461 . 13 1 1 A 43 43 PRO C C 43 178.013 176.640 1.373 1
1 462 . 13 1 1 A 43 43 PRO CA C 43 62.234 62.306 -0.072 1
1 463 . 13 1 1 A 43 43 PRO CB C 43 32.616 33.477 -0.861 1
1 466 . 13 1 1 A 44 44 LEU H H 44 8.758 8.853 -0.095 1
1 467 . 13 1 1 A 44 44 LEU HA H 44 3.780 4.216 -0.436 1
1 477 . 13 1 1 A 44 44 LEU C C 44 178.208 178.244 -0.036 1
1 478 . 13 1 1 A 44 44 LEU CA C 44 58.592 56.938 1.654 1
1 479 . 13 1 1 A 44 44 LEU CB C 44 41.747 42.112 -0.365 1
1 483 . 13 1 1 A 44 44 LEU N N 44 125.847 122.166 3.681 1
1 484 . 13 1 1 A 45 45 ASP H H 45 8.822 8.062 0.760 1
1 485 . 13 1 1 A 45 45 ASP HA H 45 4.270 4.398 -0.128 1
1 488 . 13 1 1 A 45 45 ASP C C 45 178.523 178.770 -0.247 1
1 489 . 13 1 1 A 45 45 ASP CA C 45 57.621 57.064 0.557 1
1 490 . 13 1 1 A 45 45 ASP CB C 45 40.612 41.052 -0.440 1
1 491 . 13 1 1 A 45 45 ASP N N 45 114.687 119.307 -4.620 1
1 492 . 13 1 1 A 46 46 VAL H H 46 7.098 7.945 -0.847 1
1 493 . 13 1 1 A 46 46 VAL HA H 46 3.707 3.687 0.020 1
1 501 . 13 1 1 A 46 46 VAL C C 46 178.353 178.674 -0.321 1
1 502 . 13 1 1 A 46 46 VAL CA C 46 65.770 66.505 -0.735 1
1 503 . 13 1 1 A 46 46 VAL CB C 46 32.179 31.505 0.674 1
1 506 . 13 1 1 A 46 46 VAL N N 46 118.849 119.866 -1.017 1
1 507 . 13 1 1 A 47 47 VAL H H 47 7.429 8.214 -0.785 1
1 508 . 13 1 1 A 47 47 VAL HA H 47 3.633 3.667 -0.034 1
1 516 . 13 1 1 A 47 47 VAL C C 47 177.698 178.371 -0.673 1
1 517 . 13 1 1 A 47 47 VAL CA C 47 67.413 66.907 0.506 1
1 518 . 13 1 1 A 47 47 VAL CB C 47 32.258 31.689 0.569 1
1 521 . 13 1 1 A 47 47 VAL N N 47 120.616 120.733 -0.117 1
1 522 . 13 1 1 A 48 48 LYS H H 48 9.110 7.960 1.150 1
1 523 . 13 1 1 A 48 48 LYS HA H 48 4.005 4.088 -0.083 1
1 531 . 13 1 1 A 48 48 LYS C C 48 178.717 179.199 -0.482 1
1 532 . 13 1 1 A 48 48 LYS CA C 48 60.749 60.681 0.068 1
1 533 . 13 1 1 A 48 48 LYS CB C 48 33.140 32.441 0.699 1
1 537 . 13 1 1 A 48 48 LYS N N 48 119.748 119.180 0.568 1
1 538 . 13 1 1 A 49 49 LYS H H 49 7.901 7.936 -0.035 1
1 539 . 13 1 1 A 49 49 LYS HA H 49 4.116 4.065 0.051 1
1 547 . 13 1 1 A 49 49 LYS C C 49 178.863 178.696 0.167 1
1 548 . 13 1 1 A 49 49 LYS CA C 49 59.087 59.447 -0.360 1
1 549 . 13 1 1 A 49 49 LYS CB C 49 32.085 32.208 -0.123 1
1 553 . 13 1 1 A 49 49 LYS N N 49 117.787 119.428 -1.641 1
1 554 . 13 1 1 A 50 50 TRP H H 50 8.060 7.829 0.231 1
1 555 . 13 1 1 A 50 50 TRP HA H 50 4.089 4.148 -0.059 1
1 564 . 13 1 1 A 50 50 TRP C C 50 178.547 178.144 0.403 1
1 565 . 13 1 1 A 50 50 TRP CA C 50 62.575 60.701 1.874 1
1 566 . 13 1 1 A 50 50 TRP CB C 50 28.755 29.643 -0.888 1
1 572 . 13 1 1 A 50 50 TRP N N 50 121.102 121.439 -0.337 1
1 574 . 13 1 1 A 51 51 PHE H H 51 8.695 8.282 0.413 1
1 575 . 13 1 1 A 51 51 PHE HA H 51 3.750 4.047 -0.297 1
1 583 . 13 1 1 A 51 51 PHE C C 51 178.620 178.306 0.314 1
1 584 . 13 1 1 A 51 51 PHE CA C 51 63.542 61.969 1.573 1
1 585 . 13 1 1 A 51 51 PHE CB C 51 39.112 39.009 0.103 1
1 591 . 13 1 1 A 51 51 PHE N N 51 118.773 118.067 0.706 1
1 592 . 13 1 1 A 52 52 GLU H H 52 8.399 8.533 -0.134 1
1 593 . 13 1 1 A 52 52 GLU HA H 52 4.077 3.925 0.152 1
1 598 . 13 1 1 A 52 52 GLU C C 52 179.834 179.607 0.227 1
1 599 . 13 1 1 A 52 52 GLU CA C 52 59.657 60.027 -0.370 1
1 600 . 13 1 1 A 52 52 GLU CB C 52 29.561 29.082 0.479 1
1 602 . 13 1 1 A 52 52 GLU N N 52 118.518 118.039 0.479 1
1 603 . 13 1 1 A 53 53 LYS H H 53 7.957 7.902 0.055 1
1 604 . 13 1 1 A 53 53 LYS HA H 53 3.981 4.000 -0.019 1
1 612 . 13 1 1 A 53 53 LYS C C 53 179.349 178.735 0.614 1
1 613 . 13 1 1 A 53 53 LYS CA C 53 59.087 58.986 0.101 1
1 614 . 13 1 1 A 53 53 LYS CB C 53 32.091 32.176 -0.085 1
1 618 . 13 1 1 A 53 53 LYS N N 53 120.286 119.854 0.432 1
1 619 . 13 1 1 A 54 54 MET H H 54 7.762 7.879 -0.117 1
1 620 . 13 1 1 A 54 54 MET HA H 54 3.853 3.765 0.088 1
1 626 . 13 1 1 A 54 54 MET C C 54 179.349 177.817 1.532 1
1 627 . 13 1 1 A 54 54 MET CA C 54 57.071 57.852 -0.781 1
1 628 . 13 1 1 A 54 54 MET CB C 54 31.158 31.288 -0.130 1
1 631 . 13 1 1 A 54 54 MET N N 54 119.874 118.576 1.298 1
1 632 . 13 1 1 A 55 55 GLN H H 55 8.284 8.237 0.047 1
1 633 . 13 1 1 A 55 55 GLN HA H 55 4.172 4.211 -0.039 1
1 640 . 13 1 1 A 55 55 GLN C C 55 178.013 178.105 -0.092 1
1 641 . 13 1 1 A 55 55 GLN CA C 55 57.906 58.824 -0.918 1
1 642 . 13 1 1 A 55 55 GLN CB C 55 28.308 28.212 0.096 1
1 644 . 13 1 1 A 55 55 GLN N N 55 119.171 117.748 1.423 1
1 646 . 13 1 1 A 56 56 ALA H H 56 7.665 7.422 0.243 1
1 647 . 13 1 1 A 56 56 ALA HA H 56 4.289 4.303 -0.014 1
1 651 . 13 1 1 A 56 56 ALA C C 56 178.572 177.769 0.803 1
1 652 . 13 1 1 A 56 56 ALA CA C 56 53.041 52.300 0.741 1
1 653 . 13 1 1 A 56 56 ALA CB C 56 18.784 19.534 -0.750 1
1 654 . 13 1 1 A 56 56 ALA N N 56 120.252 119.207 1.045 1
1 655 . 13 1 1 A 57 57 GLY H H 57 7.802 7.740 0.062 1
1 656 . 13 1 1 A 57 57 GLY HA2 H 57 3.945 3.926 0.019 1
1 657 . 13 1 1 A 57 57 GLY HA3 H 57 3.945 3.945 0.000 1
1 658 . 13 1 1 A 57 57 GLY C C 57 174.809 175.092 -0.283 1
1 659 . 13 1 1 A 57 57 GLY CA C 57 45.748 45.395 0.353 1
1 660 . 13 1 1 A 57 57 GLY N N 57 106.361 105.916 0.445 1
1 661 . 13 1 1 A 58 58 GLN H H 58 7.961 8.251 -0.290 1
1 662 . 13 1 1 A 58 58 GLN HA H 58 4.280 4.233 0.047 1
1 669 . 13 1 1 A 58 58 GLN C C 58 175.877 178.521 -2.644 1
1 670 . 13 1 1 A 58 58 GLN CA C 58 55.890 58.658 -2.768 1
1 671 . 13 1 1 A 58 58 GLN CB C 58 29.211 28.670 0.541 1
1 673 . 13 1 1 A 58 58 GLN N N 58 118.690 119.164 -0.474 1
1 675 . 13 1 1 A 59 59 ILE H H 59 7.828 7.758 0.070 1
1 676 . 13 1 1 A 59 59 ILE HA H 59 4.178 3.669 0.509 1
1 686 . 13 1 1 A 59 59 ILE C C 59 175.950 176.322 -0.372 1
1 687 . 13 1 1 A 59 59 ILE CA C 59 60.796 64.993 -4.197 1
1 688 . 13 1 1 A 59 59 ILE CB C 59 38.884 38.152 0.732 1
1 692 . 13 1 1 A 59 59 ILE N N 59 119.986 119.348 0.638 1
1 693 . 13 1 1 A 60 60 SER H H 60 8.358 7.751 0.607 1
1 694 . 13 1 1 A 60 60 SER HA H 60 4.485 4.472 0.013 1
1 697 . 13 1 1 A 60 60 SER C C 60 174.542 175.602 -1.060 1
1 698 . 13 1 1 A 60 60 SER CA C 60 58.000 57.418 0.582 1
1 699 . 13 1 1 A 60 60 SER CB C 60 63.869 62.967 0.902 1
1 700 . 13 1 1 A 60 60 SER N N 60 119.848 114.081 5.767 1
1 701 . 13 1 1 A 61 61 VAL H H 61 8.223 8.621 -0.398 1
1 702 . 13 1 1 A 61 61 VAL HA H 61 4.132 3.703 0.429 1
1 710 . 13 1 1 A 61 61 VAL C C 61 176.023 176.674 -0.651 1
1 711 . 13 1 1 A 61 61 VAL CA C 61 62.254 65.175 -2.921 1
1 712 . 13 1 1 A 61 61 VAL CB C 61 32.702 31.551 1.151 1
1 715 . 13 1 1 A 61 61 VAL N N 61 121.796 122.395 -0.599 1
1 716 . 13 1 1 A 62 62 GLN H H 62 8.405 7.832 0.573 1
1 717 . 13 1 1 A 62 62 GLN HA H 62 4.389 4.546 -0.157 1
1 724 . 13 1 1 A 62 62 GLN C C 62 175.901 174.780 1.121 1
1 725 . 13 1 1 A 62 62 GLN CA C 62 55.792 55.976 -0.184 1
1 726 . 13 1 1 A 62 62 GLN CB C 62 29.530 29.810 -0.280 1
1 728 . 13 1 1 A 62 62 GLN N N 62 123.728 122.755 0.973 1
1 730 . 13 1 1 A 63 63 SER H H 63 8.396 8.622 -0.226 1
1 731 . 13 1 1 A 63 63 SER HA H 63 4.482 5.158 -0.676 1
1 734 . 13 1 1 A 63 63 SER C C 63 173.668 173.944 -0.276 1
1 735 . 13 1 1 A 63 63 SER CA C 63 58.445 56.018 2.427 1
1 736 . 13 1 1 A 63 63 SER CB C 63 63.964 65.678 -1.714 1
1 737 . 13 1 1 A 63 63 SER N N 63 118.100 119.201 -1.101 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.502 4.208 0.294 1
1 4 . 14 1 1 A 6 6 SER C C 6 175.076 175.033 0.043 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.733 60.466 -1.733 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.809 63.566 0.243 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.416 8.424 -0.008 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.966 4.241 -0.275 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.966 4.242 -0.276 1
1 10 . 14 1 1 A 7 7 GLY C C 7 173.813 172.888 0.925 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.226 45.654 -0.428 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.646 112.503 -1.857 1
1 13 . 14 1 1 A 8 8 GLN H H 8 8.187 8.465 -0.278 1
1 14 . 14 1 1 A 8 8 GLN HA H 8 4.656 4.390 0.266 1
1 21 . 14 1 1 A 8 8 GLN C C 8 173.741 175.122 -1.381 1
1 22 . 14 1 1 A 8 8 GLN CA C 8 53.677 54.527 -0.850 1
1 23 . 14 1 1 A 8 8 GLN CB C 8 29.079 28.814 0.265 1
1 25 . 14 1 1 A 8 8 GLN N N 8 120.767 118.779 1.988 1
1 27 . 14 1 1 A 9 9 PRO HA H 9 4.723 4.646 0.077 1
1 34 . 14 1 1 A 9 9 PRO CB C 9 27.766 31.575 -3.809 1
1 37 . 14 1 1 A 10 10 PRO HA H 10 4.444 4.532 -0.088 1
1 43 . 14 1 1 A 10 10 PRO C C 10 177.309 176.364 0.945 1
1 44 . 14 1 1 A 10 10 PRO CA C 10 63.083 62.121 0.962 1
1 45 . 14 1 1 A 10 10 PRO CB C 10 31.881 32.965 -1.084 1
1 48 . 14 1 1 A 11 11 LEU H H 11 8.323 8.373 -0.050 1
1 49 . 14 1 1 A 11 11 LEU HA H 11 4.105 4.340 -0.235 1
1 59 . 14 1 1 A 11 11 LEU C C 11 178.232 178.281 -0.049 1
1 60 . 14 1 1 A 11 11 LEU CA C 11 56.572 54.805 1.767 1
1 61 . 14 1 1 A 11 11 LEU CB C 11 42.000 42.748 -0.748 1
1 64 . 14 1 1 A 11 11 LEU N N 11 122.449 122.150 0.299 1
1 65 . 14 1 1 A 12 12 LYS H H 12 8.319 8.943 -0.624 1
1 66 . 14 1 1 A 12 12 LYS HA H 12 3.986 3.981 0.005 1
1 73 . 14 1 1 A 12 12 LYS C C 12 177.722 178.629 -0.907 1
1 74 . 14 1 1 A 12 12 LYS CA C 12 58.842 59.379 -0.537 1
1 75 . 14 1 1 A 12 12 LYS CB C 12 32.388 32.434 -0.046 1
1 79 . 14 1 1 A 12 12 LYS N N 12 118.575 123.458 -4.883 1
1 80 . 14 1 1 A 13 13 ASN H H 13 8.076 8.303 -0.227 1
1 81 . 14 1 1 A 13 13 ASN HA H 13 4.597 4.406 0.191 1
1 86 . 14 1 1 A 13 13 ASN C C 13 176.702 177.735 -1.033 1
1 87 . 14 1 1 A 13 13 ASN CA C 13 54.525 56.623 -2.098 1
1 88 . 14 1 1 A 13 13 ASN CB C 13 38.035 37.916 0.119 1
1 89 . 14 1 1 A 13 13 ASN N N 13 117.381 117.359 0.022 1
1 91 . 14 1 1 A 14 14 LEU H H 14 7.948 8.015 -0.067 1
1 92 . 14 1 1 A 14 14 LEU HA H 14 4.099 3.937 0.162 1
1 102 . 14 1 1 A 14 14 LEU C C 14 177.868 178.755 -0.887 1
1 103 . 14 1 1 A 14 14 LEU CA C 14 56.861 58.608 -1.747 1
1 104 . 14 1 1 A 14 14 LEU CB C 14 42.012 41.772 0.240 1
1 108 . 14 1 1 A 14 14 LEU N N 14 121.775 121.571 0.204 1
1 109 . 14 1 1 A 15 15 LEU H H 15 7.996 7.794 0.202 1
1 110 . 14 1 1 A 15 15 LEU HA H 15 3.705 4.027 -0.322 1
1 120 . 14 1 1 A 15 15 LEU C C 15 178.887 178.522 0.365 1
1 121 . 14 1 1 A 15 15 LEU CA C 15 58.201 57.467 0.734 1
1 122 . 14 1 1 A 15 15 LEU CB C 15 41.067 42.033 -0.966 1
1 126 . 14 1 1 A 15 15 LEU N N 15 119.072 118.945 0.127 1
1 127 . 14 1 1 A 16 16 SER H H 16 7.968 8.129 -0.161 1
1 128 . 14 1 1 A 16 16 SER HA H 16 4.064 4.068 -0.004 1
1 131 . 14 1 1 A 16 16 SER C C 16 176.897 176.132 0.765 1
1 132 . 14 1 1 A 16 16 SER CA C 16 61.915 62.396 -0.481 1
1 133 . 14 1 1 A 16 16 SER CB C 16 62.496 62.935 -0.439 1
1 134 . 14 1 1 A 16 16 SER N N 16 113.400 114.464 -1.064 1
1 135 . 14 1 1 A 17 17 LEU H H 17 7.487 8.427 -0.940 1
1 136 . 14 1 1 A 17 17 LEU HA H 17 3.980 3.845 0.135 1
1 140 . 14 1 1 A 17 17 LEU C C 17 178.547 178.760 -0.213 1
1 141 . 14 1 1 A 17 17 LEU CA C 17 58.205 58.102 0.103 1
1 142 . 14 1 1 A 17 17 LEU CB C 17 41.973 41.512 0.461 1
1 143 . 14 1 1 A 17 17 LEU N N 17 122.840 120.406 2.434 1
1 144 . 14 1 1 A 18 18 LEU H H 18 7.950 8.043 -0.093 1
1 145 . 14 1 1 A 18 18 LEU HA H 18 3.982 3.885 0.097 1
1 154 . 14 1 1 A 18 18 LEU C C 18 178.645 178.821 -0.176 1
1 155 . 14 1 1 A 18 18 LEU CA C 18 58.203 57.784 0.419 1
1 156 . 14 1 1 A 18 18 LEU CB C 18 38.932 40.265 -1.333 1
1 160 . 14 1 1 A 18 18 LEU N N 18 118.407 118.327 0.080 1
1 161 . 14 1 1 A 19 19 LYS H H 19 8.352 7.780 0.572 1
1 162 . 14 1 1 A 19 19 LYS HA H 19 4.051 4.197 -0.146 1
1 169 . 14 1 1 A 19 19 LYS C C 19 178.960 179.051 -0.091 1
1 170 . 14 1 1 A 19 19 LYS CA C 19 60.537 59.432 1.105 1
1 171 . 14 1 1 A 19 19 LYS CB C 19 32.332 32.198 0.134 1
1 175 . 14 1 1 A 19 19 LYS N N 19 118.242 116.748 1.494 1
1 176 . 14 1 1 A 20 20 ALA H H 20 7.717 7.527 0.190 1
1 177 . 14 1 1 A 20 20 ALA HA H 20 4.202 4.057 0.145 1
1 181 . 14 1 1 A 20 20 ALA C C 20 180.732 179.192 1.540 1
1 182 . 14 1 1 A 20 20 ALA CA C 20 54.879 54.986 -0.107 1
1 183 . 14 1 1 A 20 20 ALA CB C 20 17.608 18.421 -0.813 1
1 184 . 14 1 1 A 20 20 ALA N N 20 122.505 121.622 0.883 1
1 185 . 14 1 1 A 21 21 TYR HA H 21 4.236 4.339 -0.103 1
1 192 . 14 1 1 A 21 21 TYR C C 21 178.839 178.281 0.558 1
1 193 . 14 1 1 A 21 21 TYR CA C 21 63.047 61.247 1.800 1
1 194 . 14 1 1 A 21 21 TYR CB C 21 38.388 38.206 0.182 1
1 199 . 14 1 1 A 22 22 TYR H H 22 8.857 8.162 0.695 1
1 200 . 14 1 1 A 22 22 TYR HA H 22 4.305 4.822 -0.517 1
1 207 . 14 1 1 A 22 22 TYR C C 22 176.338 177.559 -1.221 1
1 208 . 14 1 1 A 22 22 TYR CA C 22 61.389 62.080 -0.691 1
1 209 . 14 1 1 A 22 22 TYR CB C 22 38.790 39.229 -0.439 1
1 214 . 14 1 1 A 22 22 TYR N N 22 122.639 120.152 2.487 1
1 215 . 14 1 1 A 23 23 ALA H H 23 7.762 8.053 -0.291 1
1 216 . 14 1 1 A 23 23 ALA HA H 23 4.047 4.093 -0.046 1
1 220 . 14 1 1 A 23 23 ALA C C 23 179.179 179.540 -0.361 1
1 221 . 14 1 1 A 23 23 ALA CA C 23 53.906 55.240 -1.334 1
1 222 . 14 1 1 A 23 23 ALA CB C 23 18.328 18.611 -0.283 1
1 223 . 14 1 1 A 23 23 ALA N N 23 117.361 121.817 -4.456 1
1 224 . 14 1 1 A 24 24 LEU H H 24 7.267 7.669 -0.402 1
1 225 . 14 1 1 A 24 24 LEU HA H 24 4.210 4.165 0.045 1
1 235 . 14 1 1 A 24 24 LEU C C 24 177.673 177.171 0.502 1
1 236 . 14 1 1 A 24 24 LEU CA C 24 56.382 56.984 -0.602 1
1 237 . 14 1 1 A 24 24 LEU CB C 24 42.933 41.769 1.164 1
1 241 . 14 1 1 A 24 24 LEU N N 24 117.259 114.375 2.884 1
1 242 . 14 1 1 A 25 25 ASN H H 25 7.862 8.364 -0.502 1
1 243 . 14 1 1 A 25 25 ASN HA H 25 4.466 4.935 -0.469 1
1 248 . 14 1 1 A 25 25 ASN C C 25 173.036 175.088 -2.052 1
1 249 . 14 1 1 A 25 25 ASN CA C 25 53.077 51.848 1.229 1
1 250 . 14 1 1 A 25 25 ASN CB C 25 37.853 39.151 -1.298 1
1 251 . 14 1 1 A 25 25 ASN N N 25 116.521 117.195 -0.674 1
1 253 . 14 1 1 A 26 26 ALA H H 26 8.283 8.643 -0.360 1
1 254 . 14 1 1 A 26 26 ALA HA H 26 3.905 3.271 0.634 1
1 258 . 14 1 1 A 26 26 ALA C C 26 177.212 177.954 -0.742 1
1 259 . 14 1 1 A 26 26 ALA CA C 26 53.323 54.712 -1.389 1
1 260 . 14 1 1 A 26 26 ALA CB C 26 19.548 18.730 0.818 1
1 261 . 14 1 1 A 26 26 ALA N N 26 126.202 127.831 -1.629 1
1 262 . 14 1 1 A 27 27 GLN H H 27 7.729 7.862 -0.133 1
1 263 . 14 1 1 A 27 27 GLN HA H 27 4.619 4.510 0.109 1
1 270 . 14 1 1 A 27 27 GLN C C 27 172.090 174.305 -2.215 1
1 271 . 14 1 1 A 27 27 GLN CA C 27 52.706 53.021 -0.315 1
1 272 . 14 1 1 A 27 27 GLN CB C 27 29.636 28.611 1.025 1
1 274 . 14 1 1 A 27 27 GLN N N 27 113.721 113.403 0.318 1
1 276 . 14 1 1 A 28 28 PRO HA H 28 4.485 4.491 -0.006 1
1 283 . 14 1 1 A 28 28 PRO C C 28 177.018 176.532 0.486 1
1 284 . 14 1 1 A 28 28 PRO CA C 28 62.562 62.191 0.371 1
1 285 . 14 1 1 A 28 28 PRO CB C 28 31.813 32.375 -0.562 1
1 288 . 14 1 1 A 29 29 SER H H 29 9.097 8.269 0.828 1
1 289 . 14 1 1 A 29 29 SER HA H 29 4.398 4.613 -0.215 1
1 292 . 14 1 1 A 29 29 SER C C 29 174.372 175.420 -1.048 1
1 293 . 14 1 1 A 29 29 SER CA C 29 56.986 56.467 0.519 1
1 294 . 14 1 1 A 29 29 SER CB C 29 65.661 65.820 -0.159 1
1 295 . 14 1 1 A 29 29 SER N N 29 118.156 114.644 3.512 1
1 296 . 14 1 1 A 30 30 ALA H H 30 8.916 8.978 -0.062 1
1 297 . 14 1 1 A 30 30 ALA HA H 30 3.965 4.055 -0.090 1
1 301 . 14 1 1 A 30 30 ALA C C 30 180.732 179.996 0.736 1
1 302 . 14 1 1 A 30 30 ALA CA C 30 56.044 55.480 0.564 1
1 303 . 14 1 1 A 30 30 ALA CB C 30 17.925 18.368 -0.443 1
1 304 . 14 1 1 A 30 30 ALA N N 30 123.162 123.332 -0.170 1
1 305 . 14 1 1 A 31 31 GLU H H 31 8.591 8.103 0.488 1
1 306 . 14 1 1 A 31 31 GLU HA H 31 4.011 3.993 0.018 1
1 310 . 14 1 1 A 31 31 GLU C C 31 179.519 179.497 0.022 1
1 311 . 14 1 1 A 31 31 GLU CA C 31 59.788 59.552 0.236 1
1 312 . 14 1 1 A 31 31 GLU CB C 31 29.349 29.279 0.070 1
1 314 . 14 1 1 A 31 31 GLU N N 31 118.280 118.206 0.074 1
1 315 . 14 1 1 A 32 32 GLU H H 32 7.702 7.765 -0.063 1
1 316 . 14 1 1 A 32 32 GLU HA H 32 3.844 4.097 -0.253 1
1 320 . 14 1 1 A 32 32 GLU C C 32 179.446 178.934 0.512 1
1 321 . 14 1 1 A 32 32 GLU CA C 32 59.408 58.853 0.555 1
1 322 . 14 1 1 A 32 32 GLU CB C 32 29.829 30.009 -0.180 1
1 324 . 14 1 1 A 32 32 GLU N N 32 121.025 120.474 0.551 1
1 325 . 14 1 1 A 33 33 LEU H H 33 8.679 8.471 0.208 1
1 326 . 14 1 1 A 33 33 LEU HA H 33 3.645 3.922 -0.277 1
1 336 . 14 1 1 A 33 33 LEU C C 33 178.378 179.041 -0.663 1
1 337 . 14 1 1 A 33 33 LEU CA C 33 58.218 57.714 0.504 1
1 338 . 14 1 1 A 33 33 LEU CB C 33 42.339 41.663 0.676 1
1 342 . 14 1 1 A 33 33 LEU N N 33 119.993 121.247 -1.254 1
1 343 . 14 1 1 A 34 34 SER H H 34 7.727 8.103 -0.376 1
1 344 . 14 1 1 A 34 34 SER HA H 34 4.116 4.034 0.082 1
1 347 . 14 1 1 A 34 34 SER C C 34 176.484 177.080 -0.596 1
1 348 . 14 1 1 A 34 34 SER CA C 34 62.063 61.685 0.378 1
1 349 . 14 1 1 A 34 34 SER CB C 34 62.725 62.940 -0.215 1
1 350 . 14 1 1 A 34 34 SER N N 34 113.341 113.218 0.123 1
1 351 . 14 1 1 A 35 35 LYS H H 35 7.525 7.820 -0.295 1
1 352 . 14 1 1 A 35 35 LYS HA H 35 4.122 3.952 0.170 1
1 361 . 14 1 1 A 35 35 LYS C C 35 180.368 178.534 1.834 1
1 362 . 14 1 1 A 35 35 LYS CA C 35 59.502 59.885 -0.383 1
1 363 . 14 1 1 A 35 35 LYS CB C 35 32.414 32.279 0.135 1
1 367 . 14 1 1 A 35 35 LYS N N 35 120.812 121.310 -0.498 1
1 368 . 14 1 1 A 36 36 ILE H H 36 8.219 8.209 0.010 1
1 369 . 14 1 1 A 36 36 ILE HA H 36 3.280 3.474 -0.194 1
1 379 . 14 1 1 A 36 36 ILE C C 36 178.159 178.372 -0.213 1
1 380 . 14 1 1 A 36 36 ILE CA C 36 65.794 64.883 0.911 1
1 381 . 14 1 1 A 36 36 ILE CB C 36 38.008 37.226 0.782 1
1 385 . 14 1 1 A 36 36 ILE N N 36 122.240 119.583 2.657 1
1 386 . 14 1 1 A 37 37 ALA H H 37 8.438 7.906 0.532 1
1 387 . 14 1 1 A 37 37 ALA HA H 37 3.862 3.993 -0.131 1
1 391 . 14 1 1 A 37 37 ALA C C 37 179.276 179.896 -0.620 1
1 392 . 14 1 1 A 37 37 ALA CA C 37 56.223 55.222 1.001 1
1 393 . 14 1 1 A 37 37 ALA CB C 37 17.186 18.081 -0.895 1
1 394 . 14 1 1 A 37 37 ALA N N 37 122.058 122.426 -0.368 1
1 395 . 14 1 1 A 38 38 ASP H H 38 8.072 8.250 -0.178 1
1 396 . 14 1 1 A 38 38 ASP HA H 38 4.495 4.319 0.176 1
1 399 . 14 1 1 A 38 38 ASP C C 38 178.984 178.294 0.690 1
1 400 . 14 1 1 A 38 38 ASP CA C 38 56.857 56.735 0.122 1
1 401 . 14 1 1 A 38 38 ASP CB C 38 40.813 40.486 0.327 1
1 402 . 14 1 1 A 38 38 ASP N N 38 115.894 120.531 -4.637 1
1 403 . 14 1 1 A 39 39 SER H H 39 7.954 7.444 0.510 1
1 404 . 14 1 1 A 39 39 SER HA H 39 4.247 4.367 -0.120 1
1 406 . 14 1 1 A 39 39 SER C C 39 175.610 176.087 -0.477 1
1 407 . 14 1 1 A 39 39 SER CA C 39 61.580 61.941 -0.361 1
1 408 . 14 1 1 A 39 39 SER CB C 39 63.373 63.610 -0.237 1
1 409 . 14 1 1 A 39 39 SER N N 39 114.432 115.827 -1.395 1
1 410 . 14 1 1 A 40 40 VAL H H 40 7.850 7.257 0.593 1
1 411 . 14 1 1 A 40 40 VAL HA H 40 4.456 4.260 0.196 1
1 419 . 14 1 1 A 40 40 VAL C C 40 174.445 174.654 -0.209 1
1 420 . 14 1 1 A 40 40 VAL CA C 40 60.913 61.178 -0.265 1
1 421 . 14 1 1 A 40 40 VAL CB C 40 31.778 31.156 0.622 1
1 424 . 14 1 1 A 40 40 VAL N N 40 111.349 114.563 -3.214 1
1 425 . 14 1 1 A 41 41 ASN H H 41 7.804 8.017 -0.213 1
1 426 . 14 1 1 A 41 41 ASN HA H 41 4.348 4.326 0.022 1
1 431 . 14 1 1 A 41 41 ASN C C 41 174.008 173.704 0.304 1
1 432 . 14 1 1 A 41 41 ASN CA C 41 54.066 54.402 -0.336 1
1 433 . 14 1 1 A 41 41 ASN CB C 41 37.225 36.688 0.537 1
1 434 . 14 1 1 A 41 41 ASN N N 41 117.410 115.292 2.118 1
1 436 . 14 1 1 A 42 42 LEU H H 42 7.904 7.567 0.337 1
1 437 . 14 1 1 A 42 42 LEU HA H 42 5.001 4.799 0.202 1
1 447 . 14 1 1 A 42 42 LEU C C 42 173.886 174.341 -0.455 1
1 448 . 14 1 1 A 42 42 LEU CA C 42 51.484 51.546 -0.062 1
1 449 . 14 1 1 A 42 42 LEU CB C 42 45.928 44.197 1.731 1
1 453 . 14 1 1 A 42 42 LEU N N 42 117.347 118.882 -1.535 1
1 454 . 14 1 1 A 43 43 PRO HA H 43 4.423 4.564 -0.141 1
1 461 . 14 1 1 A 43 43 PRO C C 43 178.013 176.682 1.331 1
1 462 . 14 1 1 A 43 43 PRO CA C 43 62.234 62.341 -0.107 1
1 463 . 14 1 1 A 43 43 PRO CB C 43 32.616 33.501 -0.885 1
1 466 . 14 1 1 A 44 44 LEU H H 44 8.758 8.887 -0.129 1
1 467 . 14 1 1 A 44 44 LEU HA H 44 3.780 4.181 -0.401 1
1 477 . 14 1 1 A 44 44 LEU C C 44 178.208 178.223 -0.015 1
1 478 . 14 1 1 A 44 44 LEU CA C 44 58.592 56.955 1.637 1
1 479 . 14 1 1 A 44 44 LEU CB C 44 41.747 42.173 -0.426 1
1 483 . 14 1 1 A 44 44 LEU N N 44 125.847 122.094 3.753 1
1 484 . 14 1 1 A 45 45 ASP H H 45 8.822 8.104 0.718 1
1 485 . 14 1 1 A 45 45 ASP HA H 45 4.270 4.401 -0.131 1
1 488 . 14 1 1 A 45 45 ASP C C 45 178.523 178.829 -0.306 1
1 489 . 14 1 1 A 45 45 ASP CA C 45 57.621 57.212 0.409 1
1 490 . 14 1 1 A 45 45 ASP CB C 45 40.612 41.063 -0.451 1
1 491 . 14 1 1 A 45 45 ASP N N 45 114.687 119.725 -5.038 1
1 492 . 14 1 1 A 46 46 VAL H H 46 7.098 7.936 -0.838 1
1 493 . 14 1 1 A 46 46 VAL HA H 46 3.707 3.710 -0.003 1
1 501 . 14 1 1 A 46 46 VAL C C 46 178.353 178.506 -0.153 1
1 502 . 14 1 1 A 46 46 VAL CA C 46 65.770 66.478 -0.708 1
1 503 . 14 1 1 A 46 46 VAL CB C 46 32.179 31.616 0.563 1
1 506 . 14 1 1 A 46 46 VAL N N 46 118.849 120.034 -1.185 1
1 507 . 14 1 1 A 47 47 VAL H H 47 7.429 8.121 -0.692 1
1 508 . 14 1 1 A 47 47 VAL HA H 47 3.633 3.659 -0.026 1
1 516 . 14 1 1 A 47 47 VAL C C 47 177.698 178.465 -0.767 1
1 517 . 14 1 1 A 47 47 VAL CA C 47 67.413 66.766 0.647 1
1 518 . 14 1 1 A 47 47 VAL CB C 47 32.258 31.698 0.560 1
1 521 . 14 1 1 A 47 47 VAL N N 47 120.616 120.799 -0.183 1
1 522 . 14 1 1 A 48 48 LYS H H 48 9.110 7.878 1.232 1
1 523 . 14 1 1 A 48 48 LYS HA H 48 4.005 4.107 -0.102 1
1 531 . 14 1 1 A 48 48 LYS C C 48 178.717 179.499 -0.782 1
1 532 . 14 1 1 A 48 48 LYS CA C 48 60.749 60.463 0.286 1
1 533 . 14 1 1 A 48 48 LYS CB C 48 33.140 32.322 0.818 1
1 537 . 14 1 1 A 48 48 LYS N N 48 119.748 119.361 0.387 1
1 538 . 14 1 1 A 49 49 LYS H H 49 7.901 7.866 0.035 1
1 539 . 14 1 1 A 49 49 LYS HA H 49 4.116 4.060 0.056 1
1 547 . 14 1 1 A 49 49 LYS C C 49 178.863 178.734 0.129 1
1 548 . 14 1 1 A 49 49 LYS CA C 49 59.087 59.321 -0.234 1
1 549 . 14 1 1 A 49 49 LYS CB C 49 32.085 32.179 -0.094 1
1 553 . 14 1 1 A 49 49 LYS N N 49 117.787 119.425 -1.638 1
1 554 . 14 1 1 A 50 50 TRP H H 50 8.060 7.943 0.117 1
1 555 . 14 1 1 A 50 50 TRP HA H 50 4.089 4.187 -0.098 1
1 564 . 14 1 1 A 50 50 TRP C C 50 178.547 178.214 0.333 1
1 565 . 14 1 1 A 50 50 TRP CA C 50 62.575 60.591 1.984 1
1 566 . 14 1 1 A 50 50 TRP CB C 50 28.755 29.569 -0.814 1
1 572 . 14 1 1 A 50 50 TRP N N 50 121.102 121.423 -0.321 1
1 574 . 14 1 1 A 51 51 PHE H H 51 8.695 8.132 0.563 1
1 575 . 14 1 1 A 51 51 PHE HA H 51 3.750 4.230 -0.480 1
1 583 . 14 1 1 A 51 51 PHE C C 51 178.620 178.338 0.282 1
1 584 . 14 1 1 A 51 51 PHE CA C 51 63.542 61.732 1.810 1
1 585 . 14 1 1 A 51 51 PHE CB C 51 39.112 39.139 -0.027 1
1 591 . 14 1 1 A 51 51 PHE N N 51 118.773 118.231 0.542 1
1 592 . 14 1 1 A 52 52 GLU H H 52 8.399 8.510 -0.111 1
1 593 . 14 1 1 A 52 52 GLU HA H 52 4.077 3.931 0.146 1
1 598 . 14 1 1 A 52 52 GLU C C 52 179.834 179.514 0.320 1
1 599 . 14 1 1 A 52 52 GLU CA C 52 59.657 60.181 -0.524 1
1 600 . 14 1 1 A 52 52 GLU CB C 52 29.561 29.162 0.399 1
1 602 . 14 1 1 A 52 52 GLU N N 52 118.518 118.071 0.447 1
1 603 . 14 1 1 A 53 53 LYS H H 53 7.957 8.169 -0.212 1
1 604 . 14 1 1 A 53 53 LYS HA H 53 3.981 3.935 0.046 1
1 612 . 14 1 1 A 53 53 LYS C C 53 179.349 178.651 0.698 1
1 613 . 14 1 1 A 53 53 LYS CA C 53 59.087 59.124 -0.037 1
1 614 . 14 1 1 A 53 53 LYS CB C 53 32.091 32.251 -0.160 1
1 618 . 14 1 1 A 53 53 LYS N N 53 120.286 119.981 0.305 1
1 619 . 14 1 1 A 54 54 MET H H 54 7.762 8.103 -0.341 1
1 620 . 14 1 1 A 54 54 MET HA H 54 3.853 3.719 0.134 1
1 626 . 14 1 1 A 54 54 MET C C 54 179.349 177.814 1.535 1
1 627 . 14 1 1 A 54 54 MET CA C 54 57.071 57.864 -0.793 1
1 628 . 14 1 1 A 54 54 MET CB C 54 31.158 31.302 -0.144 1
1 631 . 14 1 1 A 54 54 MET N N 54 119.874 118.599 1.275 1
1 632 . 14 1 1 A 55 55 GLN H H 55 8.284 8.319 -0.035 1
1 633 . 14 1 1 A 55 55 GLN HA H 55 4.172 4.299 -0.127 1
1 640 . 14 1 1 A 55 55 GLN C C 55 178.013 177.507 0.506 1
1 641 . 14 1 1 A 55 55 GLN CA C 55 57.906 58.670 -0.764 1
1 642 . 14 1 1 A 55 55 GLN CB C 55 28.308 28.409 -0.101 1
1 644 . 14 1 1 A 55 55 GLN N N 55 119.171 117.900 1.271 1
1 646 . 14 1 1 A 56 56 ALA H H 56 7.665 7.452 0.213 1
1 647 . 14 1 1 A 56 56 ALA HA H 56 4.289 4.332 -0.043 1
1 651 . 14 1 1 A 56 56 ALA C C 56 178.572 177.751 0.821 1
1 652 . 14 1 1 A 56 56 ALA CA C 56 53.041 52.242 0.799 1
1 653 . 14 1 1 A 56 56 ALA CB C 56 18.784 19.630 -0.846 1
1 654 . 14 1 1 A 56 56 ALA N N 56 120.252 119.134 1.118 1
1 655 . 14 1 1 A 57 57 GLY H H 57 7.802 7.814 -0.012 1
1 656 . 14 1 1 A 57 57 GLY HA2 H 57 3.945 3.881 0.064 1
1 657 . 14 1 1 A 57 57 GLY HA3 H 57 3.945 3.913 0.032 1
1 658 . 14 1 1 A 57 57 GLY C C 57 174.809 174.953 -0.144 1
1 659 . 14 1 1 A 57 57 GLY CA C 57 45.748 45.556 0.192 1
1 660 . 14 1 1 A 57 57 GLY N N 57 106.361 105.786 0.575 1
1 661 . 14 1 1 A 58 58 GLN H H 58 7.961 8.334 -0.373 1
1 662 . 14 1 1 A 58 58 GLN HA H 58 4.280 4.201 0.079 1
1 669 . 14 1 1 A 58 58 GLN C C 58 175.877 176.445 -0.568 1
1 670 . 14 1 1 A 58 58 GLN CA C 58 55.890 57.592 -1.702 1
1 671 . 14 1 1 A 58 58 GLN CB C 58 29.211 29.411 -0.200 1
1 673 . 14 1 1 A 58 58 GLN N N 58 118.690 117.087 1.603 1
1 675 . 14 1 1 A 59 59 ILE H H 59 7.828 7.312 0.516 1
1 676 . 14 1 1 A 59 59 ILE HA H 59 4.178 3.813 0.365 1
1 686 . 14 1 1 A 59 59 ILE C C 59 175.950 175.733 0.217 1
1 687 . 14 1 1 A 59 59 ILE CA C 59 60.796 62.446 -1.650 1
1 688 . 14 1 1 A 59 59 ILE CB C 59 38.884 37.151 1.733 1
1 692 . 14 1 1 A 59 59 ILE N N 59 119.986 121.362 -1.376 1
1 693 . 14 1 1 A 60 60 SER H H 60 8.358 8.458 -0.100 1
1 694 . 14 1 1 A 60 60 SER HA H 60 4.485 5.025 -0.540 1
1 697 . 14 1 1 A 60 60 SER C C 60 174.542 173.001 1.541 1
1 698 . 14 1 1 A 60 60 SER CA C 60 58.000 57.255 0.745 1
1 699 . 14 1 1 A 60 60 SER CB C 60 63.869 66.542 -2.673 1
1 700 . 14 1 1 A 60 60 SER N N 60 119.848 120.525 -0.677 1
1 701 . 14 1 1 A 61 61 VAL H H 61 8.223 8.556 -0.333 1
1 702 . 14 1 1 A 61 61 VAL HA H 61 4.132 4.576 -0.444 1
1 710 . 14 1 1 A 61 61 VAL C C 61 176.023 173.296 2.727 1
1 711 . 14 1 1 A 61 61 VAL CA C 61 62.254 60.315 1.939 1
1 712 . 14 1 1 A 61 61 VAL CB C 61 32.702 34.745 -2.043 1
1 715 . 14 1 1 A 61 61 VAL N N 61 121.796 119.849 1.947 1
1 716 . 14 1 1 A 62 62 GLN H H 62 8.405 8.589 -0.184 1
1 717 . 14 1 1 A 62 62 GLN HA H 62 4.389 4.131 0.258 1
1 724 . 14 1 1 A 62 62 GLN C C 62 175.901 177.260 -1.359 1
1 725 . 14 1 1 A 62 62 GLN CA C 62 55.792 56.358 -0.566 1
1 726 . 14 1 1 A 62 62 GLN CB C 62 29.530 30.340 -0.810 1
1 728 . 14 1 1 A 62 62 GLN N N 62 123.728 125.962 -2.234 1
1 730 . 14 1 1 A 63 63 SER H H 63 8.396 8.735 -0.339 1
1 731 . 14 1 1 A 63 63 SER HA H 63 4.482 4.286 0.196 1
1 734 . 14 1 1 A 63 63 SER C C 63 173.668 176.299 -2.631 1
1 735 . 14 1 1 A 63 63 SER CA C 63 58.445 61.240 -2.795 1
1 736 . 14 1 1 A 63 63 SER CB C 63 63.964 63.102 0.862 1
1 737 . 14 1 1 A 63 63 SER N N 63 118.100 119.613 -1.513 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.502 4.106 0.396 1
1 4 . 15 1 1 A 6 6 SER C C 6 175.076 175.733 -0.657 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.733 60.197 -1.464 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.809 63.521 0.288 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.416 8.824 -0.408 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.966 3.877 0.089 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.966 3.877 0.089 1
1 10 . 15 1 1 A 7 7 GLY C C 7 173.813 174.276 -0.463 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.226 47.211 -1.985 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.646 111.455 -0.809 1
1 13 . 15 1 1 A 8 8 GLN H H 8 8.187 8.192 -0.005 1
1 14 . 15 1 1 A 8 8 GLN HA H 8 4.656 4.356 0.300 1
1 21 . 15 1 1 A 8 8 GLN C C 8 173.741 174.700 -0.959 1
1 22 . 15 1 1 A 8 8 GLN CA C 8 53.677 54.320 -0.643 1
1 23 . 15 1 1 A 8 8 GLN CB C 8 29.079 29.574 -0.495 1
1 25 . 15 1 1 A 8 8 GLN N N 8 120.767 124.139 -3.372 1
1 27 . 15 1 1 A 9 9 PRO HA H 9 4.723 4.692 0.031 1
1 34 . 15 1 1 A 9 9 PRO CB C 9 27.766 31.593 -3.827 1
1 37 . 15 1 1 A 10 10 PRO HA H 10 4.444 4.535 -0.091 1
1 43 . 15 1 1 A 10 10 PRO C C 10 177.309 176.290 1.019 1
1 44 . 15 1 1 A 10 10 PRO CA C 10 63.083 62.125 0.958 1
1 45 . 15 1 1 A 10 10 PRO CB C 10 31.881 33.180 -1.299 1
1 48 . 15 1 1 A 11 11 LEU H H 11 8.323 8.424 -0.101 1
1 49 . 15 1 1 A 11 11 LEU HA H 11 4.105 4.293 -0.188 1
1 59 . 15 1 1 A 11 11 LEU C C 11 178.232 178.494 -0.262 1
1 60 . 15 1 1 A 11 11 LEU CA C 11 56.572 54.806 1.766 1
1 61 . 15 1 1 A 11 11 LEU CB C 11 42.000 41.870 0.130 1
1 64 . 15 1 1 A 11 11 LEU N N 11 122.449 121.862 0.587 1
1 65 . 15 1 1 A 12 12 LYS H H 12 8.319 8.716 -0.397 1
1 66 . 15 1 1 A 12 12 LYS HA H 12 3.986 4.081 -0.095 1
1 73 . 15 1 1 A 12 12 LYS C C 12 177.722 177.978 -0.256 1
1 74 . 15 1 1 A 12 12 LYS CA C 12 58.842 59.086 -0.244 1
1 75 . 15 1 1 A 12 12 LYS CB C 12 32.388 32.144 0.244 1
1 79 . 15 1 1 A 12 12 LYS N N 12 118.575 123.495 -4.920 1
1 80 . 15 1 1 A 13 13 ASN H H 13 8.076 8.338 -0.262 1
1 81 . 15 1 1 A 13 13 ASN HA H 13 4.597 4.763 -0.166 1
1 86 . 15 1 1 A 13 13 ASN C C 13 176.702 178.244 -1.542 1
1 87 . 15 1 1 A 13 13 ASN CA C 13 54.525 56.002 -1.477 1
1 88 . 15 1 1 A 13 13 ASN CB C 13 38.035 37.474 0.561 1
1 89 . 15 1 1 A 13 13 ASN N N 13 117.381 117.799 -0.418 1
1 91 . 15 1 1 A 14 14 LEU H H 14 7.948 8.039 -0.091 1
1 92 . 15 1 1 A 14 14 LEU HA H 14 4.099 3.947 0.152 1
1 102 . 15 1 1 A 14 14 LEU C C 14 177.868 178.633 -0.765 1
1 103 . 15 1 1 A 14 14 LEU CA C 14 56.861 58.256 -1.395 1
1 104 . 15 1 1 A 14 14 LEU CB C 14 42.012 41.669 0.343 1
1 108 . 15 1 1 A 14 14 LEU N N 14 121.775 122.196 -0.421 1
1 109 . 15 1 1 A 15 15 LEU H H 15 7.996 7.994 0.002 1
1 110 . 15 1 1 A 15 15 LEU HA H 15 3.705 3.862 -0.157 1
1 120 . 15 1 1 A 15 15 LEU C C 15 178.887 178.535 0.352 1
1 121 . 15 1 1 A 15 15 LEU CA C 15 58.201 57.597 0.604 1
1 122 . 15 1 1 A 15 15 LEU CB C 15 41.067 41.482 -0.415 1
1 126 . 15 1 1 A 15 15 LEU N N 15 119.072 118.802 0.270 1
1 127 . 15 1 1 A 16 16 SER H H 16 7.968 8.015 -0.047 1
1 128 . 15 1 1 A 16 16 SER HA H 16 4.064 4.235 -0.171 1
1 131 . 15 1 1 A 16 16 SER C C 16 176.897 177.264 -0.367 1
1 132 . 15 1 1 A 16 16 SER CA C 16 61.915 61.834 0.081 1
1 133 . 15 1 1 A 16 16 SER CB C 16 62.496 62.698 -0.202 1
1 134 . 15 1 1 A 16 16 SER N N 16 113.400 113.335 0.065 1
1 135 . 15 1 1 A 17 17 LEU H H 17 7.487 8.064 -0.577 1
1 136 . 15 1 1 A 17 17 LEU HA H 17 3.980 3.843 0.137 1
1 140 . 15 1 1 A 17 17 LEU C C 17 178.547 178.779 -0.232 1
1 141 . 15 1 1 A 17 17 LEU CA C 17 58.205 58.130 0.075 1
1 142 . 15 1 1 A 17 17 LEU CB C 17 41.973 42.109 -0.136 1
1 143 . 15 1 1 A 17 17 LEU N N 17 122.840 122.394 0.446 1
1 144 . 15 1 1 A 18 18 LEU H H 18 7.950 7.731 0.219 1
1 145 . 15 1 1 A 18 18 LEU HA H 18 3.982 3.820 0.162 1
1 154 . 15 1 1 A 18 18 LEU C C 18 178.645 178.976 -0.331 1
1 155 . 15 1 1 A 18 18 LEU CA C 18 58.203 57.746 0.457 1
1 156 . 15 1 1 A 18 18 LEU CB C 18 38.932 40.721 -1.789 1
1 160 . 15 1 1 A 18 18 LEU N N 18 118.407 118.279 0.128 1
1 161 . 15 1 1 A 19 19 LYS H H 19 8.352 7.658 0.694 1
1 162 . 15 1 1 A 19 19 LYS HA H 19 4.051 4.062 -0.011 1
1 169 . 15 1 1 A 19 19 LYS C C 19 178.960 178.555 0.405 1
1 170 . 15 1 1 A 19 19 LYS CA C 19 60.537 59.696 0.841 1
1 171 . 15 1 1 A 19 19 LYS CB C 19 32.332 32.472 -0.140 1
1 175 . 15 1 1 A 19 19 LYS N N 19 118.242 119.986 -1.744 1
1 176 . 15 1 1 A 20 20 ALA H H 20 7.717 8.501 -0.784 1
1 177 . 15 1 1 A 20 20 ALA HA H 20 4.202 4.065 0.137 1
1 181 . 15 1 1 A 20 20 ALA C C 20 180.732 179.238 1.494 1
1 182 . 15 1 1 A 20 20 ALA CA C 20 54.879 55.194 -0.315 1
1 183 . 15 1 1 A 20 20 ALA CB C 20 17.608 18.461 -0.853 1
1 184 . 15 1 1 A 20 20 ALA N N 20 122.505 121.364 1.141 1
1 185 . 15 1 1 A 21 21 TYR HA H 21 4.236 4.374 -0.138 1
1 192 . 15 1 1 A 21 21 TYR C C 21 178.839 178.361 0.478 1
1 193 . 15 1 1 A 21 21 TYR CA C 21 63.047 61.262 1.785 1
1 194 . 15 1 1 A 21 21 TYR CB C 21 38.388 38.078 0.310 1
1 199 . 15 1 1 A 22 22 TYR H H 22 8.857 7.984 0.873 1
1 200 . 15 1 1 A 22 22 TYR HA H 22 4.305 4.800 -0.495 1
1 207 . 15 1 1 A 22 22 TYR C C 22 176.338 177.860 -1.522 1
1 208 . 15 1 1 A 22 22 TYR CA C 22 61.389 62.046 -0.657 1
1 209 . 15 1 1 A 22 22 TYR CB C 22 38.790 39.147 -0.357 1
1 214 . 15 1 1 A 22 22 TYR N N 22 122.639 120.600 2.039 1
1 215 . 15 1 1 A 23 23 ALA H H 23 7.762 8.121 -0.359 1
1 216 . 15 1 1 A 23 23 ALA HA H 23 4.047 4.246 -0.199 1
1 220 . 15 1 1 A 23 23 ALA C C 23 179.179 179.375 -0.196 1
1 221 . 15 1 1 A 23 23 ALA CA C 23 53.906 55.252 -1.346 1
1 222 . 15 1 1 A 23 23 ALA CB C 23 18.328 18.485 -0.157 1
1 223 . 15 1 1 A 23 23 ALA N N 23 117.361 121.955 -4.594 1
1 224 . 15 1 1 A 24 24 LEU H H 24 7.267 7.786 -0.519 1
1 225 . 15 1 1 A 24 24 LEU HA H 24 4.210 4.314 -0.104 1
1 235 . 15 1 1 A 24 24 LEU C C 24 177.673 176.505 1.168 1
1 236 . 15 1 1 A 24 24 LEU CA C 24 56.382 56.903 -0.521 1
1 237 . 15 1 1 A 24 24 LEU CB C 24 42.933 42.462 0.471 1
1 241 . 15 1 1 A 24 24 LEU N N 24 117.259 114.403 2.856 1
1 242 . 15 1 1 A 25 25 ASN H H 25 7.862 7.990 -0.128 1
1 243 . 15 1 1 A 25 25 ASN HA H 25 4.466 4.913 -0.447 1
1 248 . 15 1 1 A 25 25 ASN C C 25 173.036 174.918 -1.882 1
1 249 . 15 1 1 A 25 25 ASN CA C 25 53.077 51.468 1.609 1
1 250 . 15 1 1 A 25 25 ASN CB C 25 37.853 39.113 -1.260 1
1 251 . 15 1 1 A 25 25 ASN N N 25 116.521 117.770 -1.249 1
1 253 . 15 1 1 A 26 26 ALA H H 26 8.283 8.493 -0.210 1
1 254 . 15 1 1 A 26 26 ALA HA H 26 3.905 2.594 1.311 1
1 258 . 15 1 1 A 26 26 ALA C C 26 177.212 177.645 -0.433 1
1 259 . 15 1 1 A 26 26 ALA CA C 26 53.323 54.606 -1.283 1
1 260 . 15 1 1 A 26 26 ALA CB C 26 19.548 18.262 1.286 1
1 261 . 15 1 1 A 26 26 ALA N N 26 126.202 127.945 -1.743 1
1 262 . 15 1 1 A 27 27 GLN H H 27 7.729 7.765 -0.036 1
1 263 . 15 1 1 A 27 27 GLN HA H 27 4.619 4.138 0.481 1
1 270 . 15 1 1 A 27 27 GLN C C 27 172.090 174.344 -2.254 1
1 271 . 15 1 1 A 27 27 GLN CA C 27 52.706 52.994 -0.288 1
1 272 . 15 1 1 A 27 27 GLN CB C 27 29.636 28.466 1.170 1
1 274 . 15 1 1 A 27 27 GLN N N 27 113.721 113.259 0.462 1
1 276 . 15 1 1 A 28 28 PRO HA H 28 4.485 4.345 0.140 1
1 283 . 15 1 1 A 28 28 PRO C C 28 177.018 176.876 0.142 1
1 284 . 15 1 1 A 28 28 PRO CA C 28 62.562 62.655 -0.093 1
1 285 . 15 1 1 A 28 28 PRO CB C 28 31.813 32.016 -0.203 1
1 288 . 15 1 1 A 29 29 SER H H 29 9.097 8.146 0.951 1
1 289 . 15 1 1 A 29 29 SER HA H 29 4.398 4.545 -0.147 1
1 292 . 15 1 1 A 29 29 SER C C 29 174.372 175.000 -0.628 1
1 293 . 15 1 1 A 29 29 SER CA C 29 56.986 57.461 -0.475 1
1 294 . 15 1 1 A 29 29 SER CB C 29 65.661 64.895 0.766 1
1 295 . 15 1 1 A 29 29 SER N N 29 118.156 115.353 2.803 1
1 296 . 15 1 1 A 30 30 ALA H H 30 8.916 8.823 0.093 1
1 297 . 15 1 1 A 30 30 ALA HA H 30 3.965 4.004 -0.039 1
1 301 . 15 1 1 A 30 30 ALA C C 30 180.732 179.907 0.825 1
1 302 . 15 1 1 A 30 30 ALA CA C 30 56.044 55.478 0.566 1
1 303 . 15 1 1 A 30 30 ALA CB C 30 17.925 18.345 -0.420 1
1 304 . 15 1 1 A 30 30 ALA N N 30 123.162 123.590 -0.428 1
1 305 . 15 1 1 A 31 31 GLU H H 31 8.591 8.074 0.517 1
1 306 . 15 1 1 A 31 31 GLU HA H 31 4.011 3.977 0.034 1
1 310 . 15 1 1 A 31 31 GLU C C 31 179.519 179.459 0.060 1
1 311 . 15 1 1 A 31 31 GLU CA C 31 59.788 59.584 0.204 1
1 312 . 15 1 1 A 31 31 GLU CB C 31 29.349 29.289 0.060 1
1 314 . 15 1 1 A 31 31 GLU N N 31 118.280 118.005 0.275 1
1 315 . 15 1 1 A 32 32 GLU H H 32 7.702 7.852 -0.150 1
1 316 . 15 1 1 A 32 32 GLU HA H 32 3.844 4.141 -0.297 1
1 320 . 15 1 1 A 32 32 GLU C C 32 179.446 178.760 0.686 1
1 321 . 15 1 1 A 32 32 GLU CA C 32 59.408 58.932 0.476 1
1 322 . 15 1 1 A 32 32 GLU CB C 32 29.829 29.901 -0.072 1
1 324 . 15 1 1 A 32 32 GLU N N 32 121.025 120.515 0.510 1
1 325 . 15 1 1 A 33 33 LEU H H 33 8.679 8.559 0.120 1
1 326 . 15 1 1 A 33 33 LEU HA H 33 3.645 3.926 -0.281 1
1 336 . 15 1 1 A 33 33 LEU C C 33 178.378 178.933 -0.555 1
1 337 . 15 1 1 A 33 33 LEU CA C 33 58.218 57.938 0.280 1
1 338 . 15 1 1 A 33 33 LEU CB C 33 42.339 41.598 0.741 1
1 342 . 15 1 1 A 33 33 LEU N N 33 119.993 121.214 -1.221 1
1 343 . 15 1 1 A 34 34 SER H H 34 7.727 8.250 -0.523 1
1 344 . 15 1 1 A 34 34 SER HA H 34 4.116 4.073 0.043 1
1 347 . 15 1 1 A 34 34 SER C C 34 176.484 176.932 -0.448 1
1 348 . 15 1 1 A 34 34 SER CA C 34 62.063 61.614 0.449 1
1 349 . 15 1 1 A 34 34 SER CB C 34 62.725 63.036 -0.311 1
1 350 . 15 1 1 A 34 34 SER N N 34 113.341 113.193 0.148 1
1 351 . 15 1 1 A 35 35 LYS H H 35 7.525 7.878 -0.353 1
1 352 . 15 1 1 A 35 35 LYS HA H 35 4.122 3.913 0.209 1
1 361 . 15 1 1 A 35 35 LYS C C 35 180.368 178.557 1.811 1
1 362 . 15 1 1 A 35 35 LYS CA C 35 59.502 59.799 -0.297 1
1 363 . 15 1 1 A 35 35 LYS CB C 35 32.414 32.404 0.010 1
1 367 . 15 1 1 A 35 35 LYS N N 35 120.812 121.162 -0.350 1
1 368 . 15 1 1 A 36 36 ILE H H 36 8.219 7.692 0.527 1
1 369 . 15 1 1 A 36 36 ILE HA H 36 3.280 3.412 -0.132 1
1 379 . 15 1 1 A 36 36 ILE C C 36 178.159 178.040 0.119 1
1 380 . 15 1 1 A 36 36 ILE CA C 36 65.794 65.061 0.733 1
1 381 . 15 1 1 A 36 36 ILE CB C 36 38.008 37.204 0.804 1
1 385 . 15 1 1 A 36 36 ILE N N 36 122.240 119.778 2.462 1
1 386 . 15 1 1 A 37 37 ALA H H 37 8.438 8.217 0.221 1
1 387 . 15 1 1 A 37 37 ALA HA H 37 3.862 4.012 -0.150 1
1 391 . 15 1 1 A 37 37 ALA C C 37 179.276 178.897 0.379 1
1 392 . 15 1 1 A 37 37 ALA CA C 37 56.223 55.605 0.618 1
1 393 . 15 1 1 A 37 37 ALA CB C 37 17.186 18.400 -1.214 1
1 394 . 15 1 1 A 37 37 ALA N N 37 122.058 122.302 -0.244 1
1 395 . 15 1 1 A 38 38 ASP H H 38 8.072 8.231 -0.159 1
1 396 . 15 1 1 A 38 38 ASP HA H 38 4.495 4.351 0.144 1
1 399 . 15 1 1 A 38 38 ASP C C 38 178.984 177.987 0.997 1
1 400 . 15 1 1 A 38 38 ASP CA C 38 56.857 57.373 -0.516 1
1 401 . 15 1 1 A 38 38 ASP CB C 38 40.813 41.354 -0.541 1
1 402 . 15 1 1 A 38 38 ASP N N 38 115.894 119.037 -3.143 1
1 403 . 15 1 1 A 39 39 SER H H 39 7.954 7.654 0.300 1
1 404 . 15 1 1 A 39 39 SER HA H 39 4.247 4.308 -0.061 1
1 406 . 15 1 1 A 39 39 SER C C 39 175.610 175.999 -0.389 1
1 407 . 15 1 1 A 39 39 SER CA C 39 61.580 62.550 -0.970 1
1 408 . 15 1 1 A 39 39 SER CB C 39 63.373 63.400 -0.027 1
1 409 . 15 1 1 A 39 39 SER N N 39 114.432 116.084 -1.652 1
1 410 . 15 1 1 A 40 40 VAL H H 40 7.850 7.360 0.490 1
1 411 . 15 1 1 A 40 40 VAL HA H 40 4.456 4.243 0.213 1
1 419 . 15 1 1 A 40 40 VAL C C 40 174.445 174.758 -0.313 1
1 420 . 15 1 1 A 40 40 VAL CA C 40 60.913 61.279 -0.366 1
1 421 . 15 1 1 A 40 40 VAL CB C 40 31.778 31.125 0.653 1
1 424 . 15 1 1 A 40 40 VAL N N 40 111.349 115.187 -3.838 1
1 425 . 15 1 1 A 41 41 ASN H H 41 7.804 7.989 -0.185 1
1 426 . 15 1 1 A 41 41 ASN HA H 41 4.348 4.311 0.037 1
1 431 . 15 1 1 A 41 41 ASN C C 41 174.008 173.818 0.190 1
1 432 . 15 1 1 A 41 41 ASN CA C 41 54.066 54.391 -0.325 1
1 433 . 15 1 1 A 41 41 ASN CB C 41 37.225 36.768 0.457 1
1 434 . 15 1 1 A 41 41 ASN N N 41 117.410 115.429 1.981 1
1 436 . 15 1 1 A 42 42 LEU H H 42 7.904 7.479 0.425 1
1 437 . 15 1 1 A 42 42 LEU HA H 42 5.001 4.781 0.220 1
1 447 . 15 1 1 A 42 42 LEU C C 42 173.886 174.236 -0.350 1
1 448 . 15 1 1 A 42 42 LEU CA C 42 51.484 51.531 -0.047 1
1 449 . 15 1 1 A 42 42 LEU CB C 42 45.928 44.294 1.634 1
1 453 . 15 1 1 A 42 42 LEU N N 42 117.347 118.885 -1.538 1
1 454 . 15 1 1 A 43 43 PRO HA H 43 4.423 4.565 -0.142 1
1 461 . 15 1 1 A 43 43 PRO C C 43 178.013 176.504 1.509 1
1 462 . 15 1 1 A 43 43 PRO CA C 43 62.234 62.306 -0.072 1
1 463 . 15 1 1 A 43 43 PRO CB C 43 32.616 33.467 -0.851 1
1 466 . 15 1 1 A 44 44 LEU H H 44 8.758 8.850 -0.092 1
1 467 . 15 1 1 A 44 44 LEU HA H 44 3.780 4.211 -0.431 1
1 477 . 15 1 1 A 44 44 LEU C C 44 178.208 178.242 -0.034 1
1 478 . 15 1 1 A 44 44 LEU CA C 44 58.592 56.872 1.720 1
1 479 . 15 1 1 A 44 44 LEU CB C 44 41.747 42.111 -0.364 1
1 483 . 15 1 1 A 44 44 LEU N N 44 125.847 122.292 3.555 1
1 484 . 15 1 1 A 45 45 ASP H H 45 8.822 8.452 0.370 1
1 485 . 15 1 1 A 45 45 ASP HA H 45 4.270 4.377 -0.107 1
1 488 . 15 1 1 A 45 45 ASP C C 45 178.523 178.698 -0.175 1
1 489 . 15 1 1 A 45 45 ASP CA C 45 57.621 57.104 0.517 1
1 490 . 15 1 1 A 45 45 ASP CB C 45 40.612 40.016 0.596 1
1 491 . 15 1 1 A 45 45 ASP N N 45 114.687 118.099 -3.412 1
1 492 . 15 1 1 A 46 46 VAL H H 46 7.098 8.075 -0.977 1
1 493 . 15 1 1 A 46 46 VAL HA H 46 3.707 3.664 0.043 1
1 501 . 15 1 1 A 46 46 VAL C C 46 178.353 178.552 -0.199 1
1 502 . 15 1 1 A 46 46 VAL CA C 46 65.770 66.569 -0.799 1
1 503 . 15 1 1 A 46 46 VAL CB C 46 32.179 31.554 0.625 1
1 506 . 15 1 1 A 46 46 VAL N N 46 118.849 120.571 -1.722 1
1 507 . 15 1 1 A 47 47 VAL H H 47 7.429 8.147 -0.718 1
1 508 . 15 1 1 A 47 47 VAL HA H 47 3.633 3.585 0.048 1
1 516 . 15 1 1 A 47 47 VAL C C 47 177.698 178.594 -0.896 1
1 517 . 15 1 1 A 47 47 VAL CA C 47 67.413 66.942 0.471 1
1 518 . 15 1 1 A 47 47 VAL CB C 47 32.258 31.488 0.770 1
1 521 . 15 1 1 A 47 47 VAL N N 47 120.616 120.712 -0.096 1
1 522 . 15 1 1 A 48 48 LYS H H 48 9.110 7.772 1.338 1
1 523 . 15 1 1 A 48 48 LYS HA H 48 4.005 4.215 -0.210 1
1 531 . 15 1 1 A 48 48 LYS C C 48 178.717 179.519 -0.802 1
1 532 . 15 1 1 A 48 48 LYS CA C 48 60.749 60.275 0.474 1
1 533 . 15 1 1 A 48 48 LYS CB C 48 33.140 32.547 0.593 1
1 537 . 15 1 1 A 48 48 LYS N N 48 119.748 119.261 0.487 1
1 538 . 15 1 1 A 49 49 LYS H H 49 7.901 7.995 -0.094 1
1 539 . 15 1 1 A 49 49 LYS HA H 49 4.116 4.034 0.082 1
1 547 . 15 1 1 A 49 49 LYS C C 49 178.863 178.727 0.136 1
1 548 . 15 1 1 A 49 49 LYS CA C 49 59.087 59.825 -0.738 1
1 549 . 15 1 1 A 49 49 LYS CB C 49 32.085 32.261 -0.176 1
1 553 . 15 1 1 A 49 49 LYS N N 49 117.787 119.003 -1.216 1
1 554 . 15 1 1 A 50 50 TRP H H 50 8.060 7.868 0.192 1
1 555 . 15 1 1 A 50 50 TRP HA H 50 4.089 4.204 -0.115 1
1 564 . 15 1 1 A 50 50 TRP C C 50 178.547 177.932 0.615 1
1 565 . 15 1 1 A 50 50 TRP CA C 50 62.575 60.789 1.786 1
1 566 . 15 1 1 A 50 50 TRP CB C 50 28.755 29.723 -0.968 1
1 572 . 15 1 1 A 50 50 TRP N N 50 121.102 121.523 -0.421 1
1 574 . 15 1 1 A 51 51 PHE H H 51 8.695 8.201 0.494 1
1 575 . 15 1 1 A 51 51 PHE HA H 51 3.750 4.524 -0.774 1
1 583 . 15 1 1 A 51 51 PHE C C 51 178.620 178.442 0.178 1
1 584 . 15 1 1 A 51 51 PHE CA C 51 63.542 62.111 1.431 1
1 585 . 15 1 1 A 51 51 PHE CB C 51 39.112 38.860 0.252 1
1 591 . 15 1 1 A 51 51 PHE N N 51 118.773 118.101 0.672 1
1 592 . 15 1 1 A 52 52 GLU H H 52 8.399 8.370 0.029 1
1 593 . 15 1 1 A 52 52 GLU HA H 52 4.077 4.033 0.044 1
1 598 . 15 1 1 A 52 52 GLU C C 52 179.834 178.831 1.003 1
1 599 . 15 1 1 A 52 52 GLU CA C 52 59.657 59.855 -0.198 1
1 600 . 15 1 1 A 52 52 GLU CB C 52 29.561 29.260 0.301 1
1 602 . 15 1 1 A 52 52 GLU N N 52 118.518 118.764 -0.246 1
1 603 . 15 1 1 A 53 53 LYS H H 53 7.957 8.003 -0.046 1
1 604 . 15 1 1 A 53 53 LYS HA H 53 3.981 4.007 -0.026 1
1 612 . 15 1 1 A 53 53 LYS C C 53 179.349 178.638 0.711 1
1 613 . 15 1 1 A 53 53 LYS CA C 53 59.087 59.092 -0.005 1
1 614 . 15 1 1 A 53 53 LYS CB C 53 32.091 32.206 -0.115 1
1 618 . 15 1 1 A 53 53 LYS N N 53 120.286 119.833 0.453 1
1 619 . 15 1 1 A 54 54 MET H H 54 7.762 7.811 -0.049 1
1 620 . 15 1 1 A 54 54 MET HA H 54 3.853 3.828 0.025 1
1 626 . 15 1 1 A 54 54 MET C C 54 179.349 177.931 1.418 1
1 627 . 15 1 1 A 54 54 MET CA C 54 57.071 58.076 -1.005 1
1 628 . 15 1 1 A 54 54 MET CB C 54 31.158 31.192 -0.034 1
1 631 . 15 1 1 A 54 54 MET N N 54 119.874 117.779 2.095 1
1 632 . 15 1 1 A 55 55 GLN H H 55 8.284 7.992 0.292 1
1 633 . 15 1 1 A 55 55 GLN HA H 55 4.172 4.175 -0.003 1
1 640 . 15 1 1 A 55 55 GLN C C 55 178.013 177.545 0.468 1
1 641 . 15 1 1 A 55 55 GLN CA C 55 57.906 58.456 -0.550 1
1 642 . 15 1 1 A 55 55 GLN CB C 55 28.308 28.500 -0.192 1
1 644 . 15 1 1 A 55 55 GLN N N 55 119.171 118.175 0.996 1
1 646 . 15 1 1 A 56 56 ALA H H 56 7.665 7.215 0.450 1
1 647 . 15 1 1 A 56 56 ALA HA H 56 4.289 4.322 -0.033 1
1 651 . 15 1 1 A 56 56 ALA C C 56 178.572 177.623 0.949 1
1 652 . 15 1 1 A 56 56 ALA CA C 56 53.041 52.308 0.733 1
1 653 . 15 1 1 A 56 56 ALA CB C 56 18.784 19.657 -0.873 1
1 654 . 15 1 1 A 56 56 ALA N N 56 120.252 119.185 1.067 1
1 655 . 15 1 1 A 57 57 GLY H H 57 7.802 7.591 0.211 1
1 656 . 15 1 1 A 57 57 GLY HA2 H 57 3.945 3.924 0.021 1
1 657 . 15 1 1 A 57 57 GLY HA3 H 57 3.945 3.950 -0.005 1
1 658 . 15 1 1 A 57 57 GLY C C 57 174.809 175.068 -0.259 1
1 659 . 15 1 1 A 57 57 GLY CA C 57 45.748 45.400 0.348 1
1 660 . 15 1 1 A 57 57 GLY N N 57 106.361 105.897 0.464 1
1 661 . 15 1 1 A 58 58 GLN H H 58 7.961 8.000 -0.039 1
1 662 . 15 1 1 A 58 58 GLN HA H 58 4.280 4.180 0.100 1
1 669 . 15 1 1 A 58 58 GLN C C 58 175.877 176.544 -0.667 1
1 670 . 15 1 1 A 58 58 GLN CA C 58 55.890 57.826 -1.936 1
1 671 . 15 1 1 A 58 58 GLN CB C 58 29.211 29.306 -0.095 1
1 673 . 15 1 1 A 58 58 GLN N N 58 118.690 117.621 1.069 1
1 675 . 15 1 1 A 59 59 ILE H H 59 7.828 7.486 0.342 1
1 676 . 15 1 1 A 59 59 ILE HA H 59 4.178 3.950 0.228 1
1 686 . 15 1 1 A 59 59 ILE C C 59 175.950 174.968 0.982 1
1 687 . 15 1 1 A 59 59 ILE CA C 59 60.796 61.646 -0.850 1
1 688 . 15 1 1 A 59 59 ILE CB C 59 38.884 37.176 1.708 1
1 692 . 15 1 1 A 59 59 ILE N N 59 119.986 121.391 -1.405 1
1 693 . 15 1 1 A 60 60 SER H H 60 8.358 8.558 -0.200 1
1 694 . 15 1 1 A 60 60 SER HA H 60 4.485 4.853 -0.368 1
1 697 . 15 1 1 A 60 60 SER C C 60 174.542 174.252 0.290 1
1 698 . 15 1 1 A 60 60 SER CA C 60 58.000 57.852 0.148 1
1 699 . 15 1 1 A 60 60 SER CB C 60 63.869 64.693 -0.824 1
1 700 . 15 1 1 A 60 60 SER N N 60 119.848 124.961 -5.113 1
1 701 . 15 1 1 A 61 61 VAL H H 61 8.223 8.622 -0.399 1
1 702 . 15 1 1 A 61 61 VAL HA H 61 4.132 3.655 0.477 1
1 710 . 15 1 1 A 61 61 VAL C C 61 176.023 177.831 -1.808 1
1 711 . 15 1 1 A 61 61 VAL CA C 61 62.254 66.182 -3.928 1
1 712 . 15 1 1 A 61 61 VAL CB C 61 32.702 31.510 1.192 1
1 715 . 15 1 1 A 61 61 VAL N N 61 121.796 124.213 -2.417 1
1 716 . 15 1 1 A 62 62 GLN H H 62 8.405 8.027 0.378 1
1 717 . 15 1 1 A 62 62 GLN HA H 62 4.389 4.176 0.213 1
1 724 . 15 1 1 A 62 62 GLN C C 62 175.901 176.316 -0.415 1
1 725 . 15 1 1 A 62 62 GLN CA C 62 55.792 58.411 -2.619 1
1 726 . 15 1 1 A 62 62 GLN CB C 62 29.530 29.354 0.176 1
1 728 . 15 1 1 A 62 62 GLN N N 62 123.728 120.911 2.817 1
1 730 . 15 1 1 A 63 63 SER H H 63 8.396 7.819 0.577 1
1 731 . 15 1 1 A 63 63 SER HA H 63 4.482 4.395 0.087 1
1 734 . 15 1 1 A 63 63 SER C C 63 173.668 174.143 -0.475 1
1 735 . 15 1 1 A 63 63 SER CA C 63 58.445 58.126 0.319 1
1 736 . 15 1 1 A 63 63 SER CB C 63 63.964 63.795 0.169 1
1 737 . 15 1 1 A 63 63 SER N N 63 118.100 115.748 2.352 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.502 4.314 0.188 1
1 4 . 16 1 1 A 6 6 SER C C 6 175.076 174.917 0.159 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.733 60.096 -1.363 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.809 63.267 0.542 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.416 8.304 0.112 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.966 4.025 -0.059 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.966 4.026 -0.060 1
1 10 . 16 1 1 A 7 7 GLY C C 7 173.813 174.401 -0.588 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.226 45.610 -0.384 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.646 112.110 -1.464 1
1 13 . 16 1 1 A 8 8 GLN H H 8 8.187 7.914 0.273 1
1 14 . 16 1 1 A 8 8 GLN HA H 8 4.656 4.455 0.201 1
1 21 . 16 1 1 A 8 8 GLN C C 8 173.741 175.565 -1.824 1
1 22 . 16 1 1 A 8 8 GLN CA C 8 53.677 54.896 -1.219 1
1 23 . 16 1 1 A 8 8 GLN CB C 8 29.079 28.705 0.374 1
1 25 . 16 1 1 A 8 8 GLN N N 8 120.767 120.171 0.596 1
1 27 . 16 1 1 A 9 9 PRO HA H 9 4.723 4.723 0.000 1
1 34 . 16 1 1 A 9 9 PRO CB C 9 27.766 31.182 -3.416 1
1 37 . 16 1 1 A 10 10 PRO HA H 10 4.444 4.586 -0.142 1
1 43 . 16 1 1 A 10 10 PRO C C 10 177.309 175.386 1.923 1
1 44 . 16 1 1 A 10 10 PRO CA C 10 63.083 62.730 0.353 1
1 45 . 16 1 1 A 10 10 PRO CB C 10 31.881 32.586 -0.705 1
1 48 . 16 1 1 A 11 11 LEU H H 11 8.323 8.460 -0.137 1
1 49 . 16 1 1 A 11 11 LEU HA H 11 4.105 4.901 -0.796 1
1 59 . 16 1 1 A 11 11 LEU C C 11 178.232 177.962 0.270 1
1 60 . 16 1 1 A 11 11 LEU CA C 11 56.572 53.101 3.471 1
1 61 . 16 1 1 A 11 11 LEU CB C 11 42.000 45.336 -3.336 1
1 64 . 16 1 1 A 11 11 LEU N N 11 122.449 122.600 -0.151 1
1 65 . 16 1 1 A 12 12 LYS H H 12 8.319 8.902 -0.583 1
1 66 . 16 1 1 A 12 12 LYS HA H 12 3.986 4.020 -0.034 1
1 73 . 16 1 1 A 12 12 LYS C C 12 177.722 178.523 -0.801 1
1 74 . 16 1 1 A 12 12 LYS CA C 12 58.842 59.313 -0.471 1
1 75 . 16 1 1 A 12 12 LYS CB C 12 32.388 31.965 0.423 1
1 79 . 16 1 1 A 12 12 LYS N N 12 118.575 123.014 -4.439 1
1 80 . 16 1 1 A 13 13 ASN H H 13 8.076 8.691 -0.615 1
1 81 . 16 1 1 A 13 13 ASN HA H 13 4.597 4.430 0.167 1
1 86 . 16 1 1 A 13 13 ASN C C 13 176.702 177.719 -1.017 1
1 87 . 16 1 1 A 13 13 ASN CA C 13 54.525 55.841 -1.316 1
1 88 . 16 1 1 A 13 13 ASN CB C 13 38.035 37.668 0.367 1
1 89 . 16 1 1 A 13 13 ASN N N 13 117.381 118.168 -0.787 1
1 91 . 16 1 1 A 14 14 LEU H H 14 7.948 7.855 0.093 1
1 92 . 16 1 1 A 14 14 LEU HA H 14 4.099 3.942 0.157 1
1 102 . 16 1 1 A 14 14 LEU C C 14 177.868 178.284 -0.416 1
1 103 . 16 1 1 A 14 14 LEU CA C 14 56.861 58.190 -1.329 1
1 104 . 16 1 1 A 14 14 LEU CB C 14 42.012 41.837 0.175 1
1 108 . 16 1 1 A 14 14 LEU N N 14 121.775 122.263 -0.488 1
1 109 . 16 1 1 A 15 15 LEU H H 15 7.996 7.920 0.076 1
1 110 . 16 1 1 A 15 15 LEU HA H 15 3.705 3.492 0.213 1
1 120 . 16 1 1 A 15 15 LEU C C 15 178.887 178.994 -0.107 1
1 121 . 16 1 1 A 15 15 LEU CA C 15 58.201 57.576 0.625 1
1 122 . 16 1 1 A 15 15 LEU CB C 15 41.067 41.314 -0.247 1
1 126 . 16 1 1 A 15 15 LEU N N 15 119.072 116.906 2.166 1
1 127 . 16 1 1 A 16 16 SER H H 16 7.968 8.480 -0.512 1
1 128 . 16 1 1 A 16 16 SER HA H 16 4.064 4.039 0.025 1
1 131 . 16 1 1 A 16 16 SER C C 16 176.897 176.076 0.821 1
1 132 . 16 1 1 A 16 16 SER CA C 16 61.915 62.416 -0.501 1
1 133 . 16 1 1 A 16 16 SER CB C 16 62.496 62.965 -0.469 1
1 134 . 16 1 1 A 16 16 SER N N 16 113.400 117.133 -3.733 1
1 135 . 16 1 1 A 17 17 LEU H H 17 7.487 8.062 -0.575 1
1 136 . 16 1 1 A 17 17 LEU HA H 17 3.980 3.874 0.106 1
1 140 . 16 1 1 A 17 17 LEU C C 17 178.547 179.109 -0.562 1
1 141 . 16 1 1 A 17 17 LEU CA C 17 58.205 57.980 0.225 1
1 142 . 16 1 1 A 17 17 LEU CB C 17 41.973 41.663 0.310 1
1 143 . 16 1 1 A 17 17 LEU N N 17 122.840 120.703 2.137 1
1 144 . 16 1 1 A 18 18 LEU H H 18 7.950 7.446 0.504 1
1 145 . 16 1 1 A 18 18 LEU HA H 18 3.982 3.947 0.035 1
1 154 . 16 1 1 A 18 18 LEU C C 18 178.645 178.818 -0.173 1
1 155 . 16 1 1 A 18 18 LEU CA C 18 58.203 57.993 0.210 1
1 156 . 16 1 1 A 18 18 LEU CB C 18 38.932 40.675 -1.743 1
1 160 . 16 1 1 A 18 18 LEU N N 18 118.407 118.268 0.139 1
1 161 . 16 1 1 A 19 19 LYS H H 19 8.352 8.293 0.059 1
1 162 . 16 1 1 A 19 19 LYS HA H 19 4.051 4.146 -0.095 1
1 169 . 16 1 1 A 19 19 LYS C C 19 178.960 178.872 0.088 1
1 170 . 16 1 1 A 19 19 LYS CA C 19 60.537 60.158 0.379 1
1 171 . 16 1 1 A 19 19 LYS CB C 19 32.332 32.407 -0.075 1
1 175 . 16 1 1 A 19 19 LYS N N 19 118.242 116.940 1.302 1
1 176 . 16 1 1 A 20 20 ALA H H 20 7.717 7.685 0.032 1
1 177 . 16 1 1 A 20 20 ALA HA H 20 4.202 4.033 0.169 1
1 181 . 16 1 1 A 20 20 ALA C C 20 180.732 179.658 1.074 1
1 182 . 16 1 1 A 20 20 ALA CA C 20 54.879 55.285 -0.406 1
1 183 . 16 1 1 A 20 20 ALA CB C 20 17.608 18.474 -0.866 1
1 184 . 16 1 1 A 20 20 ALA N N 20 122.505 122.105 0.400 1
1 185 . 16 1 1 A 21 21 TYR HA H 21 4.236 4.417 -0.181 1
1 192 . 16 1 1 A 21 21 TYR C C 21 178.839 178.171 0.668 1
1 193 . 16 1 1 A 21 21 TYR CA C 21 63.047 60.891 2.156 1
1 194 . 16 1 1 A 21 21 TYR CB C 21 38.388 38.123 0.265 1
1 199 . 16 1 1 A 22 22 TYR H H 22 8.857 8.247 0.610 1
1 200 . 16 1 1 A 22 22 TYR HA H 22 4.305 4.773 -0.468 1
1 207 . 16 1 1 A 22 22 TYR C C 22 176.338 177.222 -0.884 1
1 208 . 16 1 1 A 22 22 TYR CA C 22 61.389 62.036 -0.647 1
1 209 . 16 1 1 A 22 22 TYR CB C 22 38.790 39.064 -0.274 1
1 214 . 16 1 1 A 22 22 TYR N N 22 122.639 120.286 2.353 1
1 215 . 16 1 1 A 23 23 ALA H H 23 7.762 8.414 -0.652 1
1 216 . 16 1 1 A 23 23 ALA HA H 23 4.047 4.135 -0.088 1
1 220 . 16 1 1 A 23 23 ALA C C 23 179.179 179.828 -0.649 1
1 221 . 16 1 1 A 23 23 ALA CA C 23 53.906 55.166 -1.260 1
1 222 . 16 1 1 A 23 23 ALA CB C 23 18.328 18.492 -0.164 1
1 223 . 16 1 1 A 23 23 ALA N N 23 117.361 121.729 -4.368 1
1 224 . 16 1 1 A 24 24 LEU H H 24 7.267 7.866 -0.599 1
1 225 . 16 1 1 A 24 24 LEU HA H 24 4.210 4.074 0.136 1
1 235 . 16 1 1 A 24 24 LEU C C 24 177.673 176.633 1.040 1
1 236 . 16 1 1 A 24 24 LEU CA C 24 56.382 57.536 -1.154 1
1 237 . 16 1 1 A 24 24 LEU CB C 24 42.933 41.336 1.597 1
1 241 . 16 1 1 A 24 24 LEU N N 24 117.259 115.988 1.271 1
1 242 . 16 1 1 A 25 25 ASN H H 25 7.862 8.421 -0.559 1
1 243 . 16 1 1 A 25 25 ASN HA H 25 4.466 4.924 -0.458 1
1 248 . 16 1 1 A 25 25 ASN C C 25 173.036 174.967 -1.931 1
1 249 . 16 1 1 A 25 25 ASN CA C 25 53.077 51.445 1.632 1
1 250 . 16 1 1 A 25 25 ASN CB C 25 37.853 38.704 -0.851 1
1 251 . 16 1 1 A 25 25 ASN N N 25 116.521 117.954 -1.433 1
1 253 . 16 1 1 A 26 26 ALA H H 26 8.283 8.515 -0.232 1
1 254 . 16 1 1 A 26 26 ALA HA H 26 3.905 3.196 0.709 1
1 258 . 16 1 1 A 26 26 ALA C C 26 177.212 177.753 -0.541 1
1 259 . 16 1 1 A 26 26 ALA CA C 26 53.323 54.498 -1.175 1
1 260 . 16 1 1 A 26 26 ALA CB C 26 19.548 18.491 1.057 1
1 261 . 16 1 1 A 26 26 ALA N N 26 126.202 127.577 -1.375 1
1 262 . 16 1 1 A 27 27 GLN H H 27 7.729 7.831 -0.102 1
1 263 . 16 1 1 A 27 27 GLN HA H 27 4.619 4.512 0.107 1
1 270 . 16 1 1 A 27 27 GLN C C 27 172.090 174.199 -2.109 1
1 271 . 16 1 1 A 27 27 GLN CA C 27 52.706 52.992 -0.286 1
1 272 . 16 1 1 A 27 27 GLN CB C 27 29.636 28.649 0.987 1
1 274 . 16 1 1 A 27 27 GLN N N 27 113.721 113.187 0.534 1
1 276 . 16 1 1 A 28 28 PRO HA H 28 4.485 4.496 -0.011 1
1 283 . 16 1 1 A 28 28 PRO C C 28 177.018 176.665 0.353 1
1 284 . 16 1 1 A 28 28 PRO CA C 28 62.562 62.483 0.079 1
1 285 . 16 1 1 A 28 28 PRO CB C 28 31.813 31.753 0.060 1
1 288 . 16 1 1 A 29 29 SER H H 29 9.097 8.229 0.868 1
1 289 . 16 1 1 A 29 29 SER HA H 29 4.398 4.581 -0.183 1
1 292 . 16 1 1 A 29 29 SER C C 29 174.372 175.325 -0.953 1
1 293 . 16 1 1 A 29 29 SER CA C 29 56.986 57.025 -0.039 1
1 294 . 16 1 1 A 29 29 SER CB C 29 65.661 65.416 0.245 1
1 295 . 16 1 1 A 29 29 SER N N 29 118.156 115.094 3.062 1
1 296 . 16 1 1 A 30 30 ALA H H 30 8.916 8.886 0.030 1
1 297 . 16 1 1 A 30 30 ALA HA H 30 3.965 4.052 -0.087 1
1 301 . 16 1 1 A 30 30 ALA C C 30 180.732 179.889 0.843 1
1 302 . 16 1 1 A 30 30 ALA CA C 30 56.044 55.555 0.489 1
1 303 . 16 1 1 A 30 30 ALA CB C 30 17.925 18.268 -0.343 1
1 304 . 16 1 1 A 30 30 ALA N N 30 123.162 123.535 -0.373 1
1 305 . 16 1 1 A 31 31 GLU H H 31 8.591 8.170 0.421 1
1 306 . 16 1 1 A 31 31 GLU HA H 31 4.011 3.993 0.018 1
1 310 . 16 1 1 A 31 31 GLU C C 31 179.519 179.385 0.134 1
1 311 . 16 1 1 A 31 31 GLU CA C 31 59.788 59.466 0.322 1
1 312 . 16 1 1 A 31 31 GLU CB C 31 29.349 29.316 0.033 1
1 314 . 16 1 1 A 31 31 GLU N N 31 118.280 118.191 0.089 1
1 315 . 16 1 1 A 32 32 GLU H H 32 7.702 7.793 -0.091 1
1 316 . 16 1 1 A 32 32 GLU HA H 32 3.844 4.039 -0.195 1
1 320 . 16 1 1 A 32 32 GLU C C 32 179.446 178.808 0.638 1
1 321 . 16 1 1 A 32 32 GLU CA C 32 59.408 58.817 0.591 1
1 322 . 16 1 1 A 32 32 GLU CB C 32 29.829 30.081 -0.252 1
1 324 . 16 1 1 A 32 32 GLU N N 32 121.025 120.290 0.735 1
1 325 . 16 1 1 A 33 33 LEU H H 33 8.679 8.420 0.259 1
1 326 . 16 1 1 A 33 33 LEU HA H 33 3.645 3.955 -0.310 1
1 336 . 16 1 1 A 33 33 LEU C C 33 178.378 178.726 -0.348 1
1 337 . 16 1 1 A 33 33 LEU CA C 33 58.218 58.097 0.121 1
1 338 . 16 1 1 A 33 33 LEU CB C 33 42.339 41.906 0.433 1
1 342 . 16 1 1 A 33 33 LEU N N 33 119.993 121.489 -1.496 1
1 343 . 16 1 1 A 34 34 SER H H 34 7.727 8.153 -0.426 1
1 344 . 16 1 1 A 34 34 SER HA H 34 4.116 4.049 0.067 1
1 347 . 16 1 1 A 34 34 SER C C 34 176.484 176.877 -0.393 1
1 348 . 16 1 1 A 34 34 SER CA C 34 62.063 61.650 0.413 1
1 349 . 16 1 1 A 34 34 SER CB C 34 62.725 63.092 -0.367 1
1 350 . 16 1 1 A 34 34 SER N N 34 113.341 113.427 -0.086 1
1 351 . 16 1 1 A 35 35 LYS H H 35 7.525 8.119 -0.594 1
1 352 . 16 1 1 A 35 35 LYS HA H 35 4.122 3.887 0.235 1
1 361 . 16 1 1 A 35 35 LYS C C 35 180.368 178.436 1.932 1
1 362 . 16 1 1 A 35 35 LYS CA C 35 59.502 59.978 -0.476 1
1 363 . 16 1 1 A 35 35 LYS CB C 35 32.414 32.469 -0.055 1
1 367 . 16 1 1 A 35 35 LYS N N 35 120.812 121.078 -0.266 1
1 368 . 16 1 1 A 36 36 ILE H H 36 8.219 8.095 0.124 1
1 369 . 16 1 1 A 36 36 ILE HA H 36 3.280 3.500 -0.220 1
1 379 . 16 1 1 A 36 36 ILE C C 36 178.159 177.842 0.317 1
1 380 . 16 1 1 A 36 36 ILE CA C 36 65.794 65.199 0.595 1
1 381 . 16 1 1 A 36 36 ILE CB C 36 38.008 37.438 0.570 1
1 385 . 16 1 1 A 36 36 ILE N N 36 122.240 119.880 2.360 1
1 386 . 16 1 1 A 37 37 ALA H H 37 8.438 8.451 -0.013 1
1 387 . 16 1 1 A 37 37 ALA HA H 37 3.862 3.903 -0.041 1
1 391 . 16 1 1 A 37 37 ALA C C 37 179.276 178.984 0.292 1
1 392 . 16 1 1 A 37 37 ALA CA C 37 56.223 55.664 0.559 1
1 393 . 16 1 1 A 37 37 ALA CB C 37 17.186 18.366 -1.180 1
1 394 . 16 1 1 A 37 37 ALA N N 37 122.058 122.271 -0.213 1
1 395 . 16 1 1 A 38 38 ASP H H 38 8.072 8.477 -0.405 1
1 396 . 16 1 1 A 38 38 ASP HA H 38 4.495 4.383 0.112 1
1 399 . 16 1 1 A 38 38 ASP C C 38 178.984 178.127 0.857 1
1 400 . 16 1 1 A 38 38 ASP CA C 38 56.857 57.164 -0.307 1
1 401 . 16 1 1 A 38 38 ASP CB C 38 40.813 41.991 -1.178 1
1 402 . 16 1 1 A 38 38 ASP N N 38 115.894 118.337 -2.443 1
1 403 . 16 1 1 A 39 39 SER H H 39 7.954 8.294 -0.340 1
1 404 . 16 1 1 A 39 39 SER HA H 39 4.247 4.197 0.050 1
1 406 . 16 1 1 A 39 39 SER C C 39 175.610 176.461 -0.851 1
1 407 . 16 1 1 A 39 39 SER CA C 39 61.580 61.421 0.159 1
1 408 . 16 1 1 A 39 39 SER CB C 39 63.373 62.106 1.267 1
1 409 . 16 1 1 A 39 39 SER N N 39 114.432 115.523 -1.091 1
1 410 . 16 1 1 A 40 40 VAL H H 40 7.850 7.200 0.650 1
1 411 . 16 1 1 A 40 40 VAL HA H 40 4.456 4.214 0.242 1
1 419 . 16 1 1 A 40 40 VAL C C 40 174.445 176.095 -1.650 1
1 420 . 16 1 1 A 40 40 VAL CA C 40 60.913 61.392 -0.479 1
1 421 . 16 1 1 A 40 40 VAL CB C 40 31.778 31.249 0.529 1
1 424 . 16 1 1 A 40 40 VAL N N 40 111.349 116.702 -5.353 1
1 425 . 16 1 1 A 41 41 ASN H H 41 7.804 7.897 -0.093 1
1 426 . 16 1 1 A 41 41 ASN HA H 41 4.348 4.325 0.023 1
1 431 . 16 1 1 A 41 41 ASN C C 41 174.008 173.740 0.268 1
1 432 . 16 1 1 A 41 41 ASN CA C 41 54.066 54.157 -0.091 1
1 433 . 16 1 1 A 41 41 ASN CB C 41 37.225 37.612 -0.387 1
1 434 . 16 1 1 A 41 41 ASN N N 41 117.410 119.408 -1.998 1
1 436 . 16 1 1 A 42 42 LEU H H 42 7.904 7.949 -0.045 1
1 437 . 16 1 1 A 42 42 LEU HA H 42 5.001 4.791 0.210 1
1 447 . 16 1 1 A 42 42 LEU C C 42 173.886 174.340 -0.454 1
1 448 . 16 1 1 A 42 42 LEU CA C 42 51.484 51.551 -0.067 1
1 449 . 16 1 1 A 42 42 LEU CB C 42 45.928 44.187 1.741 1
1 453 . 16 1 1 A 42 42 LEU N N 42 117.347 119.219 -1.872 1
1 454 . 16 1 1 A 43 43 PRO HA H 43 4.423 4.575 -0.152 1
1 461 . 16 1 1 A 43 43 PRO C C 43 178.013 176.655 1.358 1
1 462 . 16 1 1 A 43 43 PRO CA C 43 62.234 62.344 -0.110 1
1 463 . 16 1 1 A 43 43 PRO CB C 43 32.616 33.510 -0.894 1
1 466 . 16 1 1 A 44 44 LEU H H 44 8.758 8.885 -0.127 1
1 467 . 16 1 1 A 44 44 LEU HA H 44 3.780 4.208 -0.428 1
1 477 . 16 1 1 A 44 44 LEU C C 44 178.208 178.130 0.078 1
1 478 . 16 1 1 A 44 44 LEU CA C 44 58.592 56.943 1.649 1
1 479 . 16 1 1 A 44 44 LEU CB C 44 41.747 42.033 -0.286 1
1 483 . 16 1 1 A 44 44 LEU N N 44 125.847 122.189 3.658 1
1 484 . 16 1 1 A 45 45 ASP H H 45 8.822 8.282 0.540 1
1 485 . 16 1 1 A 45 45 ASP HA H 45 4.270 4.376 -0.106 1
1 488 . 16 1 1 A 45 45 ASP C C 45 178.523 178.309 0.214 1
1 489 . 16 1 1 A 45 45 ASP CA C 45 57.621 57.153 0.468 1
1 490 . 16 1 1 A 45 45 ASP CB C 45 40.612 40.393 0.219 1
1 491 . 16 1 1 A 45 45 ASP N N 45 114.687 118.300 -3.613 1
1 492 . 16 1 1 A 46 46 VAL H H 46 7.098 7.993 -0.895 1
1 493 . 16 1 1 A 46 46 VAL HA H 46 3.707 3.702 0.005 1
1 501 . 16 1 1 A 46 46 VAL C C 46 178.353 178.596 -0.243 1
1 502 . 16 1 1 A 46 46 VAL CA C 46 65.770 66.335 -0.565 1
1 503 . 16 1 1 A 46 46 VAL CB C 46 32.179 31.625 0.554 1
1 506 . 16 1 1 A 46 46 VAL N N 46 118.849 120.166 -1.317 1
1 507 . 16 1 1 A 47 47 VAL H H 47 7.429 8.125 -0.696 1
1 508 . 16 1 1 A 47 47 VAL HA H 47 3.633 3.591 0.042 1
1 516 . 16 1 1 A 47 47 VAL C C 47 177.698 178.389 -0.691 1
1 517 . 16 1 1 A 47 47 VAL CA C 47 67.413 66.700 0.713 1
1 518 . 16 1 1 A 47 47 VAL CB C 47 32.258 31.713 0.545 1
1 521 . 16 1 1 A 47 47 VAL N N 47 120.616 120.685 -0.069 1
1 522 . 16 1 1 A 48 48 LYS H H 48 9.110 7.929 1.181 1
1 523 . 16 1 1 A 48 48 LYS HA H 48 4.005 4.100 -0.095 1
1 531 . 16 1 1 A 48 48 LYS C C 48 178.717 179.113 -0.396 1
1 532 . 16 1 1 A 48 48 LYS CA C 48 60.749 60.577 0.172 1
1 533 . 16 1 1 A 48 48 LYS CB C 48 33.140 32.548 0.592 1
1 537 . 16 1 1 A 48 48 LYS N N 48 119.748 119.134 0.614 1
1 538 . 16 1 1 A 49 49 LYS H H 49 7.901 8.198 -0.297 1
1 539 . 16 1 1 A 49 49 LYS HA H 49 4.116 4.026 0.090 1
1 547 . 16 1 1 A 49 49 LYS C C 49 178.863 178.709 0.154 1
1 548 . 16 1 1 A 49 49 LYS CA C 49 59.087 59.520 -0.433 1
1 549 . 16 1 1 A 49 49 LYS CB C 49 32.085 32.196 -0.111 1
1 553 . 16 1 1 A 49 49 LYS N N 49 117.787 119.191 -1.404 1
1 554 . 16 1 1 A 50 50 TRP H H 50 8.060 7.795 0.265 1
1 555 . 16 1 1 A 50 50 TRP HA H 50 4.089 4.185 -0.096 1
1 564 . 16 1 1 A 50 50 TRP C C 50 178.547 178.023 0.524 1
1 565 . 16 1 1 A 50 50 TRP CA C 50 62.575 60.685 1.890 1
1 566 . 16 1 1 A 50 50 TRP CB C 50 28.755 29.685 -0.930 1
1 572 . 16 1 1 A 50 50 TRP N N 50 121.102 121.383 -0.281 1
1 574 . 16 1 1 A 51 51 PHE H H 51 8.695 8.335 0.360 1
1 575 . 16 1 1 A 51 51 PHE HA H 51 3.750 4.383 -0.633 1
1 583 . 16 1 1 A 51 51 PHE C C 51 178.620 178.382 0.238 1
1 584 . 16 1 1 A 51 51 PHE CA C 51 63.542 62.035 1.507 1
1 585 . 16 1 1 A 51 51 PHE CB C 51 39.112 38.840 0.272 1
1 591 . 16 1 1 A 51 51 PHE N N 51 118.773 118.255 0.518 1
1 592 . 16 1 1 A 52 52 GLU H H 52 8.399 8.283 0.116 1
1 593 . 16 1 1 A 52 52 GLU HA H 52 4.077 4.016 0.061 1
1 598 . 16 1 1 A 52 52 GLU C C 52 179.834 178.931 0.903 1
1 599 . 16 1 1 A 52 52 GLU CA C 52 59.657 59.882 -0.225 1
1 600 . 16 1 1 A 52 52 GLU CB C 52 29.561 29.200 0.361 1
1 602 . 16 1 1 A 52 52 GLU N N 52 118.518 118.310 0.208 1
1 603 . 16 1 1 A 53 53 LYS H H 53 7.957 7.993 -0.036 1
1 604 . 16 1 1 A 53 53 LYS HA H 53 3.981 3.950 0.031 1
1 612 . 16 1 1 A 53 53 LYS C C 53 179.349 178.399 0.950 1
1 613 . 16 1 1 A 53 53 LYS CA C 53 59.087 59.231 -0.144 1
1 614 . 16 1 1 A 53 53 LYS CB C 53 32.091 32.229 -0.138 1
1 618 . 16 1 1 A 53 53 LYS N N 53 120.286 120.155 0.131 1
1 619 . 16 1 1 A 54 54 MET H H 54 7.762 7.846 -0.084 1
1 620 . 16 1 1 A 54 54 MET HA H 54 3.853 3.697 0.156 1
1 626 . 16 1 1 A 54 54 MET C C 54 179.349 177.779 1.570 1
1 627 . 16 1 1 A 54 54 MET CA C 54 57.071 58.224 -1.153 1
1 628 . 16 1 1 A 54 54 MET CB C 54 31.158 31.262 -0.104 1
1 631 . 16 1 1 A 54 54 MET N N 54 119.874 118.440 1.434 1
1 632 . 16 1 1 A 55 55 GLN H H 55 8.284 8.010 0.274 1
1 633 . 16 1 1 A 55 55 GLN HA H 55 4.172 4.173 -0.001 1
1 640 . 16 1 1 A 55 55 GLN C C 55 178.013 178.429 -0.416 1
1 641 . 16 1 1 A 55 55 GLN CA C 55 57.906 58.866 -0.960 1
1 642 . 16 1 1 A 55 55 GLN CB C 55 28.308 28.190 0.118 1
1 644 . 16 1 1 A 55 55 GLN N N 55 119.171 117.979 1.192 1
1 646 . 16 1 1 A 56 56 ALA H H 56 7.665 7.355 0.310 1
1 647 . 16 1 1 A 56 56 ALA HA H 56 4.289 4.281 0.008 1
1 651 . 16 1 1 A 56 56 ALA C C 56 178.572 177.841 0.731 1
1 652 . 16 1 1 A 56 56 ALA CA C 56 53.041 52.467 0.574 1
1 653 . 16 1 1 A 56 56 ALA CB C 56 18.784 19.547 -0.763 1
1 654 . 16 1 1 A 56 56 ALA N N 56 120.252 119.318 0.934 1
1 655 . 16 1 1 A 57 57 GLY H H 57 7.802 7.781 0.021 1
1 656 . 16 1 1 A 57 57 GLY HA2 H 57 3.945 3.919 0.026 1
1 657 . 16 1 1 A 57 57 GLY HA3 H 57 3.945 3.943 0.002 1
1 658 . 16 1 1 A 57 57 GLY C C 57 174.809 174.948 -0.139 1
1 659 . 16 1 1 A 57 57 GLY CA C 57 45.748 45.487 0.261 1
1 660 . 16 1 1 A 57 57 GLY N N 57 106.361 105.971 0.390 1
1 661 . 16 1 1 A 58 58 GLN H H 58 7.961 8.321 -0.360 1
1 662 . 16 1 1 A 58 58 GLN HA H 58 4.280 4.270 0.010 1
1 669 . 16 1 1 A 58 58 GLN C C 58 175.877 176.210 -0.333 1
1 670 . 16 1 1 A 58 58 GLN CA C 58 55.890 56.761 -0.871 1
1 671 . 16 1 1 A 58 58 GLN CB C 58 29.211 30.118 -0.907 1
1 673 . 16 1 1 A 58 58 GLN N N 58 118.690 116.781 1.909 1
1 675 . 16 1 1 A 59 59 ILE H H 59 7.828 7.429 0.399 1
1 676 . 16 1 1 A 59 59 ILE HA H 59 4.178 3.830 0.348 1
1 686 . 16 1 1 A 59 59 ILE C C 59 175.950 175.028 0.922 1
1 687 . 16 1 1 A 59 59 ILE CA C 59 60.796 62.294 -1.498 1
1 688 . 16 1 1 A 59 59 ILE CB C 59 38.884 37.508 1.376 1
1 692 . 16 1 1 A 59 59 ILE N N 59 119.986 121.102 -1.116 1
1 693 . 16 1 1 A 60 60 SER H H 60 8.358 8.965 -0.607 1
1 694 . 16 1 1 A 60 60 SER HA H 60 4.485 5.249 -0.764 1
1 697 . 16 1 1 A 60 60 SER C C 60 174.542 172.977 1.565 1
1 698 . 16 1 1 A 60 60 SER CA C 60 58.000 56.176 1.824 1
1 699 . 16 1 1 A 60 60 SER CB C 60 63.869 66.663 -2.794 1
1 700 . 16 1 1 A 60 60 SER N N 60 119.848 123.189 -3.341 1
1 701 . 16 1 1 A 61 61 VAL H H 61 8.223 8.974 -0.751 1
1 702 . 16 1 1 A 61 61 VAL HA H 61 4.132 4.393 -0.261 1
1 710 . 16 1 1 A 61 61 VAL C C 61 176.023 176.081 -0.058 1
1 711 . 16 1 1 A 61 61 VAL CA C 61 62.254 61.588 0.666 1
1 712 . 16 1 1 A 61 61 VAL CB C 61 32.702 31.296 1.406 1
1 715 . 16 1 1 A 61 61 VAL N N 61 121.796 123.201 -1.405 1
1 716 . 16 1 1 A 62 62 GLN H H 62 8.405 8.486 -0.081 1
1 717 . 16 1 1 A 62 62 GLN HA H 62 4.389 4.400 -0.011 1
1 724 . 16 1 1 A 62 62 GLN C C 62 175.901 175.529 0.372 1
1 725 . 16 1 1 A 62 62 GLN CA C 62 55.792 55.625 0.167 1
1 726 . 16 1 1 A 62 62 GLN CB C 62 29.530 28.073 1.457 1
1 728 . 16 1 1 A 62 62 GLN N N 62 123.728 124.374 -0.646 1
1 730 . 16 1 1 A 63 63 SER H H 63 8.396 7.699 0.697 1
1 731 . 16 1 1 A 63 63 SER HA H 63 4.482 4.527 -0.045 1
1 734 . 16 1 1 A 63 63 SER C C 63 173.668 174.111 -0.443 1
1 735 . 16 1 1 A 63 63 SER CA C 63 58.445 59.005 -0.560 1
1 736 . 16 1 1 A 63 63 SER CB C 63 63.964 62.225 1.739 1
1 737 . 16 1 1 A 63 63 SER N N 63 118.100 117.635 0.465 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.502 4.578 -0.076 1
1 4 . 17 1 1 A 6 6 SER C C 6 175.076 174.659 0.417 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.733 58.134 0.599 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.809 63.356 0.453 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.416 8.489 -0.073 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.966 3.843 0.123 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.966 3.843 0.123 1
1 10 . 17 1 1 A 7 7 GLY C C 7 173.813 173.886 -0.073 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.226 47.348 -2.122 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.646 117.342 -6.696 1
1 13 . 17 1 1 A 8 8 GLN H H 8 8.187 8.564 -0.377 1
1 14 . 17 1 1 A 8 8 GLN HA H 8 4.656 4.688 -0.032 1
1 21 . 17 1 1 A 8 8 GLN C C 8 173.741 174.170 -0.429 1
1 22 . 17 1 1 A 8 8 GLN CA C 8 53.677 53.212 0.465 1
1 23 . 17 1 1 A 8 8 GLN CB C 8 29.079 28.558 0.521 1
1 25 . 17 1 1 A 8 8 GLN N N 8 120.767 124.426 -3.659 1
1 27 . 17 1 1 A 9 9 PRO HA H 9 4.723 4.723 0.000 1
1 34 . 17 1 1 A 9 9 PRO CB C 9 27.766 31.468 -3.702 1
1 37 . 17 1 1 A 10 10 PRO HA H 10 4.444 4.587 -0.143 1
1 43 . 17 1 1 A 10 10 PRO C C 10 177.309 176.539 0.770 1
1 44 . 17 1 1 A 10 10 PRO CA C 10 63.083 62.270 0.813 1
1 45 . 17 1 1 A 10 10 PRO CB C 10 31.881 32.334 -0.453 1
1 48 . 17 1 1 A 11 11 LEU H H 11 8.323 8.445 -0.122 1
1 49 . 17 1 1 A 11 11 LEU HA H 11 4.105 4.513 -0.408 1
1 59 . 17 1 1 A 11 11 LEU C C 11 178.232 178.005 0.227 1
1 60 . 17 1 1 A 11 11 LEU CA C 11 56.572 54.219 2.353 1
1 61 . 17 1 1 A 11 11 LEU CB C 11 42.000 42.536 -0.536 1
1 64 . 17 1 1 A 11 11 LEU N N 11 122.449 122.085 0.364 1
1 65 . 17 1 1 A 12 12 LYS H H 12 8.319 8.777 -0.458 1
1 66 . 17 1 1 A 12 12 LYS HA H 12 3.986 4.054 -0.068 1
1 73 . 17 1 1 A 12 12 LYS C C 12 177.722 178.650 -0.928 1
1 74 . 17 1 1 A 12 12 LYS CA C 12 58.842 59.116 -0.274 1
1 75 . 17 1 1 A 12 12 LYS CB C 12 32.388 32.240 0.148 1
1 79 . 17 1 1 A 12 12 LYS N N 12 118.575 121.373 -2.798 1
1 80 . 17 1 1 A 13 13 ASN H H 13 8.076 8.292 -0.216 1
1 81 . 17 1 1 A 13 13 ASN HA H 13 4.597 4.471 0.126 1
1 86 . 17 1 1 A 13 13 ASN C C 13 176.702 177.584 -0.882 1
1 87 . 17 1 1 A 13 13 ASN CA C 13 54.525 55.974 -1.449 1
1 88 . 17 1 1 A 13 13 ASN CB C 13 38.035 37.907 0.128 1
1 89 . 17 1 1 A 13 13 ASN N N 13 117.381 117.905 -0.524 1
1 91 . 17 1 1 A 14 14 LEU H H 14 7.948 8.088 -0.140 1
1 92 . 17 1 1 A 14 14 LEU HA H 14 4.099 3.907 0.192 1
1 102 . 17 1 1 A 14 14 LEU C C 14 177.868 178.187 -0.319 1
1 103 . 17 1 1 A 14 14 LEU CA C 14 56.861 58.557 -1.696 1
1 104 . 17 1 1 A 14 14 LEU CB C 14 42.012 41.986 0.026 1
1 108 . 17 1 1 A 14 14 LEU N N 14 121.775 121.465 0.310 1
1 109 . 17 1 1 A 15 15 LEU H H 15 7.996 7.774 0.222 1
1 110 . 17 1 1 A 15 15 LEU HA H 15 3.705 3.531 0.174 1
1 120 . 17 1 1 A 15 15 LEU C C 15 178.887 178.624 0.263 1
1 121 . 17 1 1 A 15 15 LEU CA C 15 58.201 57.853 0.348 1
1 122 . 17 1 1 A 15 15 LEU CB C 15 41.067 41.556 -0.489 1
1 126 . 17 1 1 A 15 15 LEU N N 15 119.072 119.076 -0.004 1
1 127 . 17 1 1 A 16 16 SER H H 16 7.968 7.577 0.391 1
1 128 . 17 1 1 A 16 16 SER HA H 16 4.064 4.073 -0.009 1
1 131 . 17 1 1 A 16 16 SER C C 16 176.897 176.106 0.791 1
1 132 . 17 1 1 A 16 16 SER CA C 16 61.915 62.306 -0.391 1
1 133 . 17 1 1 A 16 16 SER CB C 16 62.496 62.789 -0.293 1
1 134 . 17 1 1 A 16 16 SER N N 16 113.400 114.058 -0.658 1
1 135 . 17 1 1 A 17 17 LEU H H 17 7.487 8.002 -0.515 1
1 136 . 17 1 1 A 17 17 LEU HA H 17 3.980 3.808 0.172 1
1 140 . 17 1 1 A 17 17 LEU C C 17 178.547 179.094 -0.547 1
1 141 . 17 1 1 A 17 17 LEU CA C 17 58.205 58.076 0.129 1
1 142 . 17 1 1 A 17 17 LEU CB C 17 41.973 41.896 0.077 1
1 143 . 17 1 1 A 17 17 LEU N N 17 122.840 120.504 2.336 1
1 144 . 17 1 1 A 18 18 LEU H H 18 7.950 7.754 0.196 1
1 145 . 17 1 1 A 18 18 LEU HA H 18 3.982 3.715 0.267 1
1 154 . 17 1 1 A 18 18 LEU C C 18 178.645 178.690 -0.045 1
1 155 . 17 1 1 A 18 18 LEU CA C 18 58.203 57.883 0.320 1
1 156 . 17 1 1 A 18 18 LEU CB C 18 38.932 41.017 -2.085 1
1 160 . 17 1 1 A 18 18 LEU N N 18 118.407 118.341 0.066 1
1 161 . 17 1 1 A 19 19 LYS H H 19 8.352 7.782 0.570 1
1 162 . 17 1 1 A 19 19 LYS HA H 19 4.051 4.175 -0.124 1
1 169 . 17 1 1 A 19 19 LYS C C 19 178.960 179.166 -0.206 1
1 170 . 17 1 1 A 19 19 LYS CA C 19 60.537 60.096 0.441 1
1 171 . 17 1 1 A 19 19 LYS CB C 19 32.332 32.368 -0.036 1
1 175 . 17 1 1 A 19 19 LYS N N 19 118.242 116.938 1.304 1
1 176 . 17 1 1 A 20 20 ALA H H 20 7.717 7.922 -0.205 1
1 177 . 17 1 1 A 20 20 ALA HA H 20 4.202 4.052 0.150 1
1 181 . 17 1 1 A 20 20 ALA C C 20 180.732 179.127 1.605 1
1 182 . 17 1 1 A 20 20 ALA CA C 20 54.879 55.061 -0.182 1
1 183 . 17 1 1 A 20 20 ALA CB C 20 17.608 18.424 -0.816 1
1 184 . 17 1 1 A 20 20 ALA N N 20 122.505 121.895 0.610 1
1 185 . 17 1 1 A 21 21 TYR HA H 21 4.236 4.329 -0.093 1
1 192 . 17 1 1 A 21 21 TYR C C 21 178.839 178.290 0.549 1
1 193 . 17 1 1 A 21 21 TYR CA C 21 63.047 61.331 1.716 1
1 194 . 17 1 1 A 21 21 TYR CB C 21 38.388 38.464 -0.076 1
1 199 . 17 1 1 A 22 22 TYR H H 22 8.857 8.009 0.848 1
1 200 . 17 1 1 A 22 22 TYR HA H 22 4.305 4.957 -0.652 1
1 207 . 17 1 1 A 22 22 TYR C C 22 176.338 177.171 -0.833 1
1 208 . 17 1 1 A 22 22 TYR CA C 22 61.389 62.270 -0.881 1
1 209 . 17 1 1 A 22 22 TYR CB C 22 38.790 39.009 -0.219 1
1 214 . 17 1 1 A 22 22 TYR N N 22 122.639 120.745 1.894 1
1 215 . 17 1 1 A 23 23 ALA H H 23 7.762 8.765 -1.003 1
1 216 . 17 1 1 A 23 23 ALA HA H 23 4.047 4.176 -0.129 1
1 220 . 17 1 1 A 23 23 ALA C C 23 179.179 179.760 -0.581 1
1 221 . 17 1 1 A 23 23 ALA CA C 23 53.906 55.356 -1.450 1
1 222 . 17 1 1 A 23 23 ALA CB C 23 18.328 18.716 -0.388 1
1 223 . 17 1 1 A 23 23 ALA N N 23 117.361 121.639 -4.278 1
1 224 . 17 1 1 A 24 24 LEU H H 24 7.267 8.072 -0.805 1
1 225 . 17 1 1 A 24 24 LEU HA H 24 4.210 4.062 0.148 1
1 235 . 17 1 1 A 24 24 LEU C C 24 177.673 176.549 1.124 1
1 236 . 17 1 1 A 24 24 LEU CA C 24 56.382 57.647 -1.265 1
1 237 . 17 1 1 A 24 24 LEU CB C 24 42.933 41.580 1.353 1
1 241 . 17 1 1 A 24 24 LEU N N 24 117.259 115.688 1.571 1
1 242 . 17 1 1 A 25 25 ASN H H 25 7.862 8.371 -0.509 1
1 243 . 17 1 1 A 25 25 ASN HA H 25 4.466 4.918 -0.452 1
1 248 . 17 1 1 A 25 25 ASN C C 25 173.036 175.081 -2.045 1
1 249 . 17 1 1 A 25 25 ASN CA C 25 53.077 51.496 1.581 1
1 250 . 17 1 1 A 25 25 ASN CB C 25 37.853 38.728 -0.875 1
1 251 . 17 1 1 A 25 25 ASN N N 25 116.521 117.954 -1.433 1
1 253 . 17 1 1 A 26 26 ALA H H 26 8.283 8.494 -0.211 1
1 254 . 17 1 1 A 26 26 ALA HA H 26 3.905 3.232 0.673 1
1 258 . 17 1 1 A 26 26 ALA C C 26 177.212 178.017 -0.805 1
1 259 . 17 1 1 A 26 26 ALA CA C 26 53.323 54.995 -1.672 1
1 260 . 17 1 1 A 26 26 ALA CB C 26 19.548 18.529 1.019 1
1 261 . 17 1 1 A 26 26 ALA N N 26 126.202 128.093 -1.891 1
1 262 . 17 1 1 A 27 27 GLN H H 27 7.729 7.926 -0.197 1
1 263 . 17 1 1 A 27 27 GLN HA H 27 4.619 4.384 0.235 1
1 270 . 17 1 1 A 27 27 GLN C C 27 172.090 174.389 -2.299 1
1 271 . 17 1 1 A 27 27 GLN CA C 27 52.706 53.153 -0.447 1
1 272 . 17 1 1 A 27 27 GLN CB C 27 29.636 28.557 1.079 1
1 274 . 17 1 1 A 27 27 GLN N N 27 113.721 113.451 0.270 1
1 276 . 17 1 1 A 28 28 PRO HA H 28 4.485 4.512 -0.027 1
1 283 . 17 1 1 A 28 28 PRO C C 28 177.018 176.602 0.416 1
1 284 . 17 1 1 A 28 28 PRO CA C 28 62.562 62.248 0.314 1
1 285 . 17 1 1 A 28 28 PRO CB C 28 31.813 32.387 -0.574 1
1 288 . 17 1 1 A 29 29 SER H H 29 9.097 8.425 0.672 1
1 289 . 17 1 1 A 29 29 SER HA H 29 4.398 4.570 -0.172 1
1 292 . 17 1 1 A 29 29 SER C C 29 174.372 175.903 -1.531 1
1 293 . 17 1 1 A 29 29 SER CA C 29 56.986 58.380 -1.394 1
1 294 . 17 1 1 A 29 29 SER CB C 29 65.661 64.495 1.166 1
1 295 . 17 1 1 A 29 29 SER N N 29 118.156 117.685 0.471 1
1 296 . 17 1 1 A 30 30 ALA H H 30 8.916 8.993 -0.077 1
1 297 . 17 1 1 A 30 30 ALA HA H 30 3.965 4.015 -0.050 1
1 301 . 17 1 1 A 30 30 ALA C C 30 180.732 179.917 0.815 1
1 302 . 17 1 1 A 30 30 ALA CA C 30 56.044 55.575 0.469 1
1 303 . 17 1 1 A 30 30 ALA CB C 30 17.925 18.481 -0.556 1
1 304 . 17 1 1 A 30 30 ALA N N 30 123.162 125.433 -2.271 1
1 305 . 17 1 1 A 31 31 GLU H H 31 8.591 8.184 0.407 1
1 306 . 17 1 1 A 31 31 GLU HA H 31 4.011 3.989 0.022 1
1 310 . 17 1 1 A 31 31 GLU C C 31 179.519 179.353 0.166 1
1 311 . 17 1 1 A 31 31 GLU CA C 31 59.788 59.436 0.352 1
1 312 . 17 1 1 A 31 31 GLU CB C 31 29.349 29.415 -0.066 1
1 314 . 17 1 1 A 31 31 GLU N N 31 118.280 117.818 0.462 1
1 315 . 17 1 1 A 32 32 GLU H H 32 7.702 7.534 0.168 1
1 316 . 17 1 1 A 32 32 GLU HA H 32 3.844 4.088 -0.244 1
1 320 . 17 1 1 A 32 32 GLU C C 32 179.446 179.202 0.244 1
1 321 . 17 1 1 A 32 32 GLU CA C 32 59.408 58.962 0.446 1
1 322 . 17 1 1 A 32 32 GLU CB C 32 29.829 29.767 0.062 1
1 324 . 17 1 1 A 32 32 GLU N N 32 121.025 120.263 0.762 1
1 325 . 17 1 1 A 33 33 LEU H H 33 8.679 8.419 0.260 1
1 326 . 17 1 1 A 33 33 LEU HA H 33 3.645 3.965 -0.320 1
1 336 . 17 1 1 A 33 33 LEU C C 33 178.378 178.817 -0.439 1
1 337 . 17 1 1 A 33 33 LEU CA C 33 58.218 57.964 0.254 1
1 338 . 17 1 1 A 33 33 LEU CB C 33 42.339 41.821 0.518 1
1 342 . 17 1 1 A 33 33 LEU N N 33 119.993 121.398 -1.405 1
1 343 . 17 1 1 A 34 34 SER H H 34 7.727 8.154 -0.427 1
1 344 . 17 1 1 A 34 34 SER HA H 34 4.116 4.057 0.059 1
1 347 . 17 1 1 A 34 34 SER C C 34 176.484 177.124 -0.640 1
1 348 . 17 1 1 A 34 34 SER CA C 34 62.063 61.654 0.409 1
1 349 . 17 1 1 A 34 34 SER CB C 34 62.725 62.959 -0.234 1
1 350 . 17 1 1 A 34 34 SER N N 34 113.341 113.034 0.307 1
1 351 . 17 1 1 A 35 35 LYS H H 35 7.525 7.839 -0.314 1
1 352 . 17 1 1 A 35 35 LYS HA H 35 4.122 3.941 0.181 1
1 361 . 17 1 1 A 35 35 LYS C C 35 180.368 178.529 1.839 1
1 362 . 17 1 1 A 35 35 LYS CA C 35 59.502 59.849 -0.347 1
1 363 . 17 1 1 A 35 35 LYS CB C 35 32.414 32.356 0.058 1
1 367 . 17 1 1 A 35 35 LYS N N 35 120.812 121.169 -0.357 1
1 368 . 17 1 1 A 36 36 ILE H H 36 8.219 8.291 -0.072 1
1 369 . 17 1 1 A 36 36 ILE HA H 36 3.280 3.609 -0.329 1
1 379 . 17 1 1 A 36 36 ILE C C 36 178.159 178.026 0.133 1
1 380 . 17 1 1 A 36 36 ILE CA C 36 65.794 65.190 0.604 1
1 381 . 17 1 1 A 36 36 ILE CB C 36 38.008 37.354 0.654 1
1 385 . 17 1 1 A 36 36 ILE N N 36 122.240 119.648 2.592 1
1 386 . 17 1 1 A 37 37 ALA H H 37 8.438 8.339 0.099 1
1 387 . 17 1 1 A 37 37 ALA HA H 37 3.862 3.989 -0.127 1
1 391 . 17 1 1 A 37 37 ALA C C 37 179.276 178.746 0.530 1
1 392 . 17 1 1 A 37 37 ALA CA C 37 56.223 55.588 0.635 1
1 393 . 17 1 1 A 37 37 ALA CB C 37 17.186 18.161 -0.975 1
1 394 . 17 1 1 A 37 37 ALA N N 37 122.058 121.956 0.102 1
1 395 . 17 1 1 A 38 38 ASP H H 38 8.072 8.064 0.008 1
1 396 . 17 1 1 A 38 38 ASP HA H 38 4.495 4.467 0.028 1
1 399 . 17 1 1 A 38 38 ASP C C 38 178.984 177.563 1.421 1
1 400 . 17 1 1 A 38 38 ASP CA C 38 56.857 56.504 0.353 1
1 401 . 17 1 1 A 38 38 ASP CB C 38 40.813 41.274 -0.461 1
1 402 . 17 1 1 A 38 38 ASP N N 38 115.894 118.442 -2.548 1
1 403 . 17 1 1 A 39 39 SER H H 39 7.954 7.487 0.467 1
1 404 . 17 1 1 A 39 39 SER HA H 39 4.247 4.378 -0.131 1
1 406 . 17 1 1 A 39 39 SER C C 39 175.610 175.911 -0.301 1
1 407 . 17 1 1 A 39 39 SER CA C 39 61.580 61.919 -0.339 1
1 408 . 17 1 1 A 39 39 SER CB C 39 63.373 63.631 -0.258 1
1 409 . 17 1 1 A 39 39 SER N N 39 114.432 115.934 -1.502 1
1 410 . 17 1 1 A 40 40 VAL H H 40 7.850 7.184 0.666 1
1 411 . 17 1 1 A 40 40 VAL HA H 40 4.456 4.264 0.192 1
1 419 . 17 1 1 A 40 40 VAL C C 40 174.445 174.509 -0.064 1
1 420 . 17 1 1 A 40 40 VAL CA C 40 60.913 61.148 -0.235 1
1 421 . 17 1 1 A 40 40 VAL CB C 40 31.778 31.126 0.652 1
1 424 . 17 1 1 A 40 40 VAL N N 40 111.349 115.137 -3.788 1
1 425 . 17 1 1 A 41 41 ASN H H 41 7.804 8.043 -0.239 1
1 426 . 17 1 1 A 41 41 ASN HA H 41 4.348 4.325 0.023 1
1 431 . 17 1 1 A 41 41 ASN C C 41 174.008 173.712 0.296 1
1 432 . 17 1 1 A 41 41 ASN CA C 41 54.066 54.465 -0.399 1
1 433 . 17 1 1 A 41 41 ASN CB C 41 37.225 36.716 0.509 1
1 434 . 17 1 1 A 41 41 ASN N N 41 117.410 115.338 2.072 1
1 436 . 17 1 1 A 42 42 LEU H H 42 7.904 7.672 0.232 1
1 437 . 17 1 1 A 42 42 LEU HA H 42 5.001 4.799 0.202 1
1 447 . 17 1 1 A 42 42 LEU C C 42 173.886 174.222 -0.336 1
1 448 . 17 1 1 A 42 42 LEU CA C 42 51.484 51.484 0.000 1
1 449 . 17 1 1 A 42 42 LEU CB C 42 45.928 44.339 1.589 1
1 453 . 17 1 1 A 42 42 LEU N N 42 117.347 118.882 -1.535 1
1 454 . 17 1 1 A 43 43 PRO HA H 43 4.423 4.567 -0.144 1
1 461 . 17 1 1 A 43 43 PRO C C 43 178.013 176.691 1.322 1
1 462 . 17 1 1 A 43 43 PRO CA C 43 62.234 62.350 -0.116 1
1 463 . 17 1 1 A 43 43 PRO CB C 43 32.616 33.641 -1.025 1
1 466 . 17 1 1 A 44 44 LEU H H 44 8.758 8.893 -0.135 1
1 467 . 17 1 1 A 44 44 LEU HA H 44 3.780 4.203 -0.423 1
1 477 . 17 1 1 A 44 44 LEU C C 44 178.208 178.205 0.003 1
1 478 . 17 1 1 A 44 44 LEU CA C 44 58.592 56.975 1.617 1
1 479 . 17 1 1 A 44 44 LEU CB C 44 41.747 42.144 -0.397 1
1 483 . 17 1 1 A 44 44 LEU N N 44 125.847 122.115 3.732 1
1 484 . 17 1 1 A 45 45 ASP H H 45 8.822 8.225 0.597 1
1 485 . 17 1 1 A 45 45 ASP HA H 45 4.270 4.410 -0.140 1
1 488 . 17 1 1 A 45 45 ASP C C 45 178.523 178.319 0.204 1
1 489 . 17 1 1 A 45 45 ASP CA C 45 57.621 57.063 0.558 1
1 490 . 17 1 1 A 45 45 ASP CB C 45 40.612 40.175 0.437 1
1 491 . 17 1 1 A 45 45 ASP N N 45 114.687 118.770 -4.083 1
1 492 . 17 1 1 A 46 46 VAL H H 46 7.098 7.997 -0.899 1
1 493 . 17 1 1 A 46 46 VAL HA H 46 3.707 3.657 0.050 1
1 501 . 17 1 1 A 46 46 VAL C C 46 178.353 178.648 -0.295 1
1 502 . 17 1 1 A 46 46 VAL CA C 46 65.770 66.674 -0.904 1
1 503 . 17 1 1 A 46 46 VAL CB C 46 32.179 31.682 0.497 1
1 506 . 17 1 1 A 46 46 VAL N N 46 118.849 120.107 -1.258 1
1 507 . 17 1 1 A 47 47 VAL H H 47 7.429 7.781 -0.352 1
1 508 . 17 1 1 A 47 47 VAL HA H 47 3.633 3.539 0.094 1
1 516 . 17 1 1 A 47 47 VAL C C 47 177.698 178.199 -0.501 1
1 517 . 17 1 1 A 47 47 VAL CA C 47 67.413 66.684 0.729 1
1 518 . 17 1 1 A 47 47 VAL CB C 47 32.258 31.503 0.755 1
1 521 . 17 1 1 A 47 47 VAL N N 47 120.616 120.023 0.593 1
1 522 . 17 1 1 A 48 48 LYS H H 48 9.110 7.884 1.226 1
1 523 . 17 1 1 A 48 48 LYS HA H 48 4.005 4.129 -0.124 1
1 531 . 17 1 1 A 48 48 LYS C C 48 178.717 179.313 -0.596 1
1 532 . 17 1 1 A 48 48 LYS CA C 48 60.749 60.537 0.212 1
1 533 . 17 1 1 A 48 48 LYS CB C 48 33.140 32.431 0.709 1
1 537 . 17 1 1 A 48 48 LYS N N 48 119.748 118.964 0.784 1
1 538 . 17 1 1 A 49 49 LYS H H 49 7.901 8.292 -0.391 1
1 539 . 17 1 1 A 49 49 LYS HA H 49 4.116 4.040 0.076 1
1 547 . 17 1 1 A 49 49 LYS C C 49 178.863 178.717 0.146 1
1 548 . 17 1 1 A 49 49 LYS CA C 49 59.087 59.343 -0.256 1
1 549 . 17 1 1 A 49 49 LYS CB C 49 32.085 32.194 -0.109 1
1 553 . 17 1 1 A 49 49 LYS N N 49 117.787 119.560 -1.773 1
1 554 . 17 1 1 A 50 50 TRP H H 50 8.060 8.077 -0.017 1
1 555 . 17 1 1 A 50 50 TRP HA H 50 4.089 4.217 -0.128 1
1 564 . 17 1 1 A 50 50 TRP C C 50 178.547 178.014 0.533 1
1 565 . 17 1 1 A 50 50 TRP CA C 50 62.575 60.660 1.915 1
1 566 . 17 1 1 A 50 50 TRP CB C 50 28.755 29.641 -0.886 1
1 572 . 17 1 1 A 50 50 TRP N N 50 121.102 121.398 -0.296 1
1 574 . 17 1 1 A 51 51 PHE H H 51 8.695 8.349 0.346 1
1 575 . 17 1 1 A 51 51 PHE HA H 51 3.750 4.381 -0.631 1
1 583 . 17 1 1 A 51 51 PHE C C 51 178.620 178.284 0.336 1
1 584 . 17 1 1 A 51 51 PHE CA C 51 63.542 61.830 1.712 1
1 585 . 17 1 1 A 51 51 PHE CB C 51 39.112 38.569 0.543 1
1 591 . 17 1 1 A 51 51 PHE N N 51 118.773 118.137 0.636 1
1 592 . 17 1 1 A 52 52 GLU H H 52 8.399 8.643 -0.244 1
1 593 . 17 1 1 A 52 52 GLU HA H 52 4.077 4.247 -0.170 1
1 598 . 17 1 1 A 52 52 GLU C C 52 179.834 179.303 0.531 1
1 599 . 17 1 1 A 52 52 GLU CA C 52 59.657 58.877 0.780 1
1 600 . 17 1 1 A 52 52 GLU CB C 52 29.561 29.285 0.276 1
1 602 . 17 1 1 A 52 52 GLU N N 52 118.518 119.668 -1.150 1
1 603 . 17 1 1 A 53 53 LYS H H 53 7.957 8.220 -0.263 1
1 604 . 17 1 1 A 53 53 LYS HA H 53 3.981 3.968 0.013 1
1 612 . 17 1 1 A 53 53 LYS C C 53 179.349 178.233 1.116 1
1 613 . 17 1 1 A 53 53 LYS CA C 53 59.087 59.144 -0.057 1
1 614 . 17 1 1 A 53 53 LYS CB C 53 32.091 32.453 -0.362 1
1 618 . 17 1 1 A 53 53 LYS N N 53 120.286 120.326 -0.040 1
1 619 . 17 1 1 A 54 54 MET H H 54 7.762 7.611 0.151 1
1 620 . 17 1 1 A 54 54 MET HA H 54 3.853 3.726 0.127 1
1 626 . 17 1 1 A 54 54 MET C C 54 179.349 177.893 1.456 1
1 627 . 17 1 1 A 54 54 MET CA C 54 57.071 58.103 -1.032 1
1 628 . 17 1 1 A 54 54 MET CB C 54 31.158 31.023 0.135 1
1 631 . 17 1 1 A 54 54 MET N N 54 119.874 118.343 1.531 1
1 632 . 17 1 1 A 55 55 GLN H H 55 8.284 7.557 0.727 1
1 633 . 17 1 1 A 55 55 GLN HA H 55 4.172 4.155 0.017 1
1 640 . 17 1 1 A 55 55 GLN C C 55 178.013 177.246 0.767 1
1 641 . 17 1 1 A 55 55 GLN CA C 55 57.906 58.584 -0.678 1
1 642 . 17 1 1 A 55 55 GLN CB C 55 28.308 28.542 -0.234 1
1 644 . 17 1 1 A 55 55 GLN N N 55 119.171 118.080 1.091 1
1 646 . 17 1 1 A 56 56 ALA H H 56 7.665 7.255 0.410 1
1 647 . 17 1 1 A 56 56 ALA HA H 56 4.289 4.312 -0.023 1
1 651 . 17 1 1 A 56 56 ALA C C 56 178.572 177.407 1.165 1
1 652 . 17 1 1 A 56 56 ALA CA C 56 53.041 52.269 0.772 1
1 653 . 17 1 1 A 56 56 ALA CB C 56 18.784 19.636 -0.852 1
1 654 . 17 1 1 A 56 56 ALA N N 56 120.252 119.185 1.067 1
1 655 . 17 1 1 A 57 57 GLY H H 57 7.802 8.048 -0.246 1
1 656 . 17 1 1 A 57 57 GLY HA2 H 57 3.945 3.900 0.045 1
1 657 . 17 1 1 A 57 57 GLY HA3 H 57 3.945 3.927 0.018 1
1 658 . 17 1 1 A 57 57 GLY C C 57 174.809 175.792 -0.983 1
1 659 . 17 1 1 A 57 57 GLY CA C 57 45.748 45.301 0.447 1
1 660 . 17 1 1 A 57 57 GLY N N 57 106.361 106.068 0.293 1
1 661 . 17 1 1 A 58 58 GLN H H 58 7.961 7.933 0.028 1
1 662 . 17 1 1 A 58 58 GLN HA H 58 4.280 4.019 0.261 1
1 669 . 17 1 1 A 58 58 GLN C C 58 175.877 176.842 -0.965 1
1 670 . 17 1 1 A 58 58 GLN CA C 58 55.890 58.417 -2.527 1
1 671 . 17 1 1 A 58 58 GLN CB C 58 29.211 28.710 0.501 1
1 673 . 17 1 1 A 58 58 GLN N N 58 118.690 119.245 -0.555 1
1 675 . 17 1 1 A 59 59 ILE H H 59 7.828 7.491 0.337 1
1 676 . 17 1 1 A 59 59 ILE HA H 59 4.178 4.031 0.147 1
1 686 . 17 1 1 A 59 59 ILE C C 59 175.950 175.364 0.586 1
1 687 . 17 1 1 A 59 59 ILE CA C 59 60.796 61.285 -0.489 1
1 688 . 17 1 1 A 59 59 ILE CB C 59 38.884 36.922 1.962 1
1 692 . 17 1 1 A 59 59 ILE N N 59 119.986 121.223 -1.237 1
1 693 . 17 1 1 A 60 60 SER H H 60 8.358 8.375 -0.017 1
1 694 . 17 1 1 A 60 60 SER HA H 60 4.485 4.418 0.067 1
1 697 . 17 1 1 A 60 60 SER C C 60 174.542 173.916 0.626 1
1 698 . 17 1 1 A 60 60 SER CA C 60 58.000 59.469 -1.469 1
1 699 . 17 1 1 A 60 60 SER CB C 60 63.869 64.261 -0.392 1
1 700 . 17 1 1 A 60 60 SER N N 60 119.848 122.742 -2.894 1
1 701 . 17 1 1 A 61 61 VAL H H 61 8.223 8.372 -0.149 1
1 702 . 17 1 1 A 61 61 VAL HA H 61 4.132 4.530 -0.398 1
1 710 . 17 1 1 A 61 61 VAL C C 61 176.023 175.174 0.849 1
1 711 . 17 1 1 A 61 61 VAL CA C 61 62.254 61.519 0.735 1
1 712 . 17 1 1 A 61 61 VAL CB C 61 32.702 32.926 -0.224 1
1 715 . 17 1 1 A 61 61 VAL N N 61 121.796 122.285 -0.489 1
1 716 . 17 1 1 A 62 62 GLN H H 62 8.405 8.641 -0.236 1
1 717 . 17 1 1 A 62 62 GLN HA H 62 4.389 5.034 -0.645 1
1 724 . 17 1 1 A 62 62 GLN C C 62 175.901 175.318 0.583 1
1 725 . 17 1 1 A 62 62 GLN CA C 62 55.792 55.295 0.497 1
1 726 . 17 1 1 A 62 62 GLN CB C 62 29.530 30.286 -0.756 1
1 728 . 17 1 1 A 62 62 GLN N N 62 123.728 127.451 -3.723 1
1 730 . 17 1 1 A 63 63 SER H H 63 8.396 8.561 -0.165 1
1 731 . 17 1 1 A 63 63 SER HA H 63 4.482 4.875 -0.393 1
1 734 . 17 1 1 A 63 63 SER C C 63 173.668 174.195 -0.527 1
1 735 . 17 1 1 A 63 63 SER CA C 63 58.445 57.029 1.416 1
1 736 . 17 1 1 A 63 63 SER CB C 63 63.964 66.469 -2.505 1
1 737 . 17 1 1 A 63 63 SER N N 63 118.100 116.393 1.707 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.502 4.951 -0.449 1
1 4 . 18 1 1 A 6 6 SER C C 6 175.076 173.700 1.376 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.733 57.835 0.898 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.809 67.025 -3.216 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.416 8.981 -0.565 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.966 3.826 0.140 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.966 3.826 0.140 1
1 10 . 18 1 1 A 7 7 GLY C C 7 173.813 174.306 -0.493 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.226 47.191 -1.965 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.646 111.974 -1.328 1
1 13 . 18 1 1 A 8 8 GLN H H 8 8.187 8.320 -0.133 1
1 14 . 18 1 1 A 8 8 GLN HA H 8 4.656 4.765 -0.109 1
1 21 . 18 1 1 A 8 8 GLN C C 8 173.741 174.373 -0.632 1
1 22 . 18 1 1 A 8 8 GLN CA C 8 53.677 53.762 -0.085 1
1 23 . 18 1 1 A 8 8 GLN CB C 8 29.079 29.693 -0.614 1
1 25 . 18 1 1 A 8 8 GLN N N 8 120.767 118.513 2.254 1
1 27 . 18 1 1 A 9 9 PRO HA H 9 4.723 4.639 0.084 1
1 34 . 18 1 1 A 9 9 PRO CB C 9 27.766 31.589 -3.823 1
1 37 . 18 1 1 A 10 10 PRO HA H 10 4.444 4.603 -0.159 1
1 43 . 18 1 1 A 10 10 PRO C C 10 177.309 176.484 0.825 1
1 44 . 18 1 1 A 10 10 PRO CA C 10 63.083 62.155 0.928 1
1 45 . 18 1 1 A 10 10 PRO CB C 10 31.881 32.838 -0.957 1
1 48 . 18 1 1 A 11 11 LEU H H 11 8.323 8.461 -0.138 1
1 49 . 18 1 1 A 11 11 LEU HA H 11 4.105 4.201 -0.096 1
1 59 . 18 1 1 A 11 11 LEU C C 11 178.232 177.861 0.371 1
1 60 . 18 1 1 A 11 11 LEU CA C 11 56.572 55.582 0.990 1
1 61 . 18 1 1 A 11 11 LEU CB C 11 42.000 43.978 -1.978 1
1 64 . 18 1 1 A 11 11 LEU N N 11 122.449 123.057 -0.608 1
1 65 . 18 1 1 A 12 12 LYS H H 12 8.319 8.766 -0.447 1
1 66 . 18 1 1 A 12 12 LYS HA H 12 3.986 4.028 -0.042 1
1 73 . 18 1 1 A 12 12 LYS C C 12 177.722 178.017 -0.295 1
1 74 . 18 1 1 A 12 12 LYS CA C 12 58.842 59.246 -0.404 1
1 75 . 18 1 1 A 12 12 LYS CB C 12 32.388 32.092 0.296 1
1 79 . 18 1 1 A 12 12 LYS N N 12 118.575 123.909 -5.334 1
1 80 . 18 1 1 A 13 13 ASN H H 13 8.076 8.306 -0.230 1
1 81 . 18 1 1 A 13 13 ASN HA H 13 4.597 4.437 0.160 1
1 86 . 18 1 1 A 13 13 ASN C C 13 176.702 177.949 -1.247 1
1 87 . 18 1 1 A 13 13 ASN CA C 13 54.525 56.360 -1.835 1
1 88 . 18 1 1 A 13 13 ASN CB C 13 38.035 38.230 -0.195 1
1 89 . 18 1 1 A 13 13 ASN N N 13 117.381 118.056 -0.675 1
1 91 . 18 1 1 A 14 14 LEU H H 14 7.948 8.383 -0.435 1
1 92 . 18 1 1 A 14 14 LEU HA H 14 4.099 3.961 0.138 1
1 102 . 18 1 1 A 14 14 LEU C C 14 177.868 178.155 -0.287 1
1 103 . 18 1 1 A 14 14 LEU CA C 14 56.861 58.437 -1.576 1
1 104 . 18 1 1 A 14 14 LEU CB C 14 42.012 41.804 0.208 1
1 108 . 18 1 1 A 14 14 LEU N N 14 121.775 121.413 0.362 1
1 109 . 18 1 1 A 15 15 LEU H H 15 7.996 8.183 -0.187 1
1 110 . 18 1 1 A 15 15 LEU HA H 15 3.705 4.078 -0.373 1
1 120 . 18 1 1 A 15 15 LEU C C 15 178.887 178.978 -0.091 1
1 121 . 18 1 1 A 15 15 LEU CA C 15 58.201 57.585 0.616 1
1 122 . 18 1 1 A 15 15 LEU CB C 15 41.067 41.416 -0.349 1
1 126 . 18 1 1 A 15 15 LEU N N 15 119.072 116.129 2.943 1
1 127 . 18 1 1 A 16 16 SER H H 16 7.968 8.509 -0.541 1
1 128 . 18 1 1 A 16 16 SER HA H 16 4.064 4.308 -0.244 1
1 131 . 18 1 1 A 16 16 SER C C 16 176.897 176.844 0.053 1
1 132 . 18 1 1 A 16 16 SER CA C 16 61.915 61.970 -0.055 1
1 133 . 18 1 1 A 16 16 SER CB C 16 62.496 63.123 -0.627 1
1 134 . 18 1 1 A 16 16 SER N N 16 113.400 116.781 -3.381 1
1 135 . 18 1 1 A 17 17 LEU H H 17 7.487 8.251 -0.764 1
1 136 . 18 1 1 A 17 17 LEU HA H 17 3.980 3.960 0.020 1
1 140 . 18 1 1 A 17 17 LEU C C 17 178.547 178.991 -0.444 1
1 141 . 18 1 1 A 17 17 LEU CA C 17 58.205 57.933 0.272 1
1 142 . 18 1 1 A 17 17 LEU CB C 17 41.973 41.634 0.339 1
1 143 . 18 1 1 A 17 17 LEU N N 17 122.840 121.162 1.678 1
1 144 . 18 1 1 A 18 18 LEU H H 18 7.950 7.654 0.296 1
1 145 . 18 1 1 A 18 18 LEU HA H 18 3.982 3.866 0.116 1
1 154 . 18 1 1 A 18 18 LEU C C 18 178.645 178.929 -0.284 1
1 155 . 18 1 1 A 18 18 LEU CA C 18 58.203 57.506 0.697 1
1 156 . 18 1 1 A 18 18 LEU CB C 18 38.932 40.505 -1.573 1
1 160 . 18 1 1 A 18 18 LEU N N 18 118.407 118.322 0.085 1
1 161 . 18 1 1 A 19 19 LYS H H 19 8.352 7.760 0.592 1
1 162 . 18 1 1 A 19 19 LYS HA H 19 4.051 4.130 -0.079 1
1 169 . 18 1 1 A 19 19 LYS C C 19 178.960 179.149 -0.189 1
1 170 . 18 1 1 A 19 19 LYS CA C 19 60.537 59.444 1.093 1
1 171 . 18 1 1 A 19 19 LYS CB C 19 32.332 32.331 0.001 1
1 175 . 18 1 1 A 19 19 LYS N N 19 118.242 120.851 -2.609 1
1 176 . 18 1 1 A 20 20 ALA H H 20 7.717 7.718 -0.001 1
1 177 . 18 1 1 A 20 20 ALA HA H 20 4.202 4.131 0.071 1
1 181 . 18 1 1 A 20 20 ALA C C 20 180.732 179.340 1.392 1
1 182 . 18 1 1 A 20 20 ALA CA C 20 54.879 54.854 0.025 1
1 183 . 18 1 1 A 20 20 ALA CB C 20 17.608 18.041 -0.433 1
1 184 . 18 1 1 A 20 20 ALA N N 20 122.505 121.901 0.604 1
1 185 . 18 1 1 A 21 21 TYR HA H 21 4.236 4.306 -0.070 1
1 192 . 18 1 1 A 21 21 TYR C C 21 178.839 178.175 0.664 1
1 193 . 18 1 1 A 21 21 TYR CA C 21 63.047 61.120 1.927 1
1 194 . 18 1 1 A 21 21 TYR CB C 21 38.388 38.179 0.209 1
1 199 . 18 1 1 A 22 22 TYR H H 22 8.857 8.374 0.483 1
1 200 . 18 1 1 A 22 22 TYR HA H 22 4.305 4.798 -0.493 1
1 207 . 18 1 1 A 22 22 TYR C C 22 176.338 177.075 -0.737 1
1 208 . 18 1 1 A 22 22 TYR CA C 22 61.389 62.028 -0.639 1
1 209 . 18 1 1 A 22 22 TYR CB C 22 38.790 39.031 -0.241 1
1 214 . 18 1 1 A 22 22 TYR N N 22 122.639 119.889 2.750 1
1 215 . 18 1 1 A 23 23 ALA H H 23 7.762 7.995 -0.233 1
1 216 . 18 1 1 A 23 23 ALA HA H 23 4.047 4.224 -0.177 1
1 220 . 18 1 1 A 23 23 ALA C C 23 179.179 179.951 -0.772 1
1 221 . 18 1 1 A 23 23 ALA CA C 23 53.906 55.274 -1.368 1
1 222 . 18 1 1 A 23 23 ALA CB C 23 18.328 18.597 -0.269 1
1 223 . 18 1 1 A 23 23 ALA N N 23 117.361 121.845 -4.484 1
1 224 . 18 1 1 A 24 24 LEU H H 24 7.267 7.873 -0.606 1
1 225 . 18 1 1 A 24 24 LEU HA H 24 4.210 4.103 0.107 1
1 235 . 18 1 1 A 24 24 LEU C C 24 177.673 176.784 0.889 1
1 236 . 18 1 1 A 24 24 LEU CA C 24 56.382 57.885 -1.503 1
1 237 . 18 1 1 A 24 24 LEU CB C 24 42.933 41.333 1.600 1
1 241 . 18 1 1 A 24 24 LEU N N 24 117.259 116.051 1.208 1
1 242 . 18 1 1 A 25 25 ASN H H 25 7.862 8.486 -0.624 1
1 243 . 18 1 1 A 25 25 ASN HA H 25 4.466 4.989 -0.523 1
1 248 . 18 1 1 A 25 25 ASN C C 25 173.036 175.160 -2.124 1
1 249 . 18 1 1 A 25 25 ASN CA C 25 53.077 51.515 1.562 1
1 250 . 18 1 1 A 25 25 ASN CB C 25 37.853 38.840 -0.987 1
1 251 . 18 1 1 A 25 25 ASN N N 25 116.521 118.364 -1.843 1
1 253 . 18 1 1 A 26 26 ALA H H 26 8.283 8.608 -0.325 1
1 254 . 18 1 1 A 26 26 ALA HA H 26 3.905 4.233 -0.328 1
1 258 . 18 1 1 A 26 26 ALA C C 26 177.212 177.412 -0.200 1
1 259 . 18 1 1 A 26 26 ALA CA C 26 53.323 55.538 -2.215 1
1 260 . 18 1 1 A 26 26 ALA CB C 26 19.548 19.080 0.468 1
1 261 . 18 1 1 A 26 26 ALA N N 26 126.202 128.397 -2.195 1
1 262 . 18 1 1 A 27 27 GLN H H 27 7.729 7.717 0.012 1
1 263 . 18 1 1 A 27 27 GLN HA H 27 4.619 4.224 0.395 1
1 270 . 18 1 1 A 27 27 GLN C C 27 172.090 173.806 -1.716 1
1 271 . 18 1 1 A 27 27 GLN CA C 27 52.706 52.721 -0.015 1
1 272 . 18 1 1 A 27 27 GLN CB C 27 29.636 28.595 1.041 1
1 274 . 18 1 1 A 27 27 GLN N N 27 113.721 112.307 1.414 1
1 276 . 18 1 1 A 28 28 PRO HA H 28 4.485 4.471 0.014 1
1 283 . 18 1 1 A 28 28 PRO C C 28 177.018 177.062 -0.044 1
1 284 . 18 1 1 A 28 28 PRO CA C 28 62.562 62.521 0.041 1
1 285 . 18 1 1 A 28 28 PRO CB C 28 31.813 31.814 -0.001 1
1 288 . 18 1 1 A 29 29 SER H H 29 9.097 8.366 0.731 1
1 289 . 18 1 1 A 29 29 SER HA H 29 4.398 4.511 -0.113 1
1 292 . 18 1 1 A 29 29 SER C C 29 174.372 175.854 -1.482 1
1 293 . 18 1 1 A 29 29 SER CA C 29 56.986 58.558 -1.572 1
1 294 . 18 1 1 A 29 29 SER CB C 29 65.661 64.356 1.305 1
1 295 . 18 1 1 A 29 29 SER N N 29 118.156 117.811 0.345 1
1 296 . 18 1 1 A 30 30 ALA H H 30 8.916 8.987 -0.071 1
1 297 . 18 1 1 A 30 30 ALA HA H 30 3.965 3.992 -0.027 1
1 301 . 18 1 1 A 30 30 ALA C C 30 180.732 179.745 0.987 1
1 302 . 18 1 1 A 30 30 ALA CA C 30 56.044 55.676 0.368 1
1 303 . 18 1 1 A 30 30 ALA CB C 30 17.925 18.511 -0.586 1
1 304 . 18 1 1 A 30 30 ALA N N 30 123.162 125.552 -2.390 1
1 305 . 18 1 1 A 31 31 GLU H H 31 8.591 8.260 0.331 1
1 306 . 18 1 1 A 31 31 GLU HA H 31 4.011 3.992 0.019 1
1 310 . 18 1 1 A 31 31 GLU C C 31 179.519 179.206 0.313 1
1 311 . 18 1 1 A 31 31 GLU CA C 31 59.788 59.460 0.328 1
1 312 . 18 1 1 A 31 31 GLU CB C 31 29.349 29.379 -0.030 1
1 314 . 18 1 1 A 31 31 GLU N N 31 118.280 117.604 0.676 1
1 315 . 18 1 1 A 32 32 GLU H H 32 7.702 8.299 -0.597 1
1 316 . 18 1 1 A 32 32 GLU HA H 32 3.844 4.192 -0.348 1
1 320 . 18 1 1 A 32 32 GLU C C 32 179.446 178.874 0.572 1
1 321 . 18 1 1 A 32 32 GLU CA C 32 59.408 58.804 0.604 1
1 322 . 18 1 1 A 32 32 GLU CB C 32 29.829 29.902 -0.073 1
1 324 . 18 1 1 A 32 32 GLU N N 32 121.025 119.696 1.329 1
1 325 . 18 1 1 A 33 33 LEU H H 33 8.679 8.524 0.155 1
1 326 . 18 1 1 A 33 33 LEU HA H 33 3.645 3.850 -0.205 1
1 336 . 18 1 1 A 33 33 LEU C C 33 178.378 178.946 -0.568 1
1 337 . 18 1 1 A 33 33 LEU CA C 33 58.218 58.003 0.215 1
1 338 . 18 1 1 A 33 33 LEU CB C 33 42.339 41.674 0.665 1
1 342 . 18 1 1 A 33 33 LEU N N 33 119.993 121.221 -1.228 1
1 343 . 18 1 1 A 34 34 SER H H 34 7.727 8.108 -0.381 1
1 344 . 18 1 1 A 34 34 SER HA H 34 4.116 4.059 0.057 1
1 347 . 18 1 1 A 34 34 SER C C 34 176.484 177.161 -0.677 1
1 348 . 18 1 1 A 34 34 SER CA C 34 62.063 61.645 0.418 1
1 349 . 18 1 1 A 34 34 SER CB C 34 62.725 63.042 -0.317 1
1 350 . 18 1 1 A 34 34 SER N N 34 113.341 113.296 0.045 1
1 351 . 18 1 1 A 35 35 LYS H H 35 7.525 7.863 -0.338 1
1 352 . 18 1 1 A 35 35 LYS HA H 35 4.122 4.004 0.118 1
1 361 . 18 1 1 A 35 35 LYS C C 35 180.368 179.656 0.712 1
1 362 . 18 1 1 A 35 35 LYS CA C 35 59.502 59.441 0.061 1
1 363 . 18 1 1 A 35 35 LYS CB C 35 32.414 32.470 -0.056 1
1 367 . 18 1 1 A 35 35 LYS N N 35 120.812 120.697 0.115 1
1 368 . 18 1 1 A 36 36 ILE H H 36 8.219 8.268 -0.049 1
1 369 . 18 1 1 A 36 36 ILE HA H 36 3.280 3.680 -0.400 1
1 379 . 18 1 1 A 36 36 ILE C C 36 178.159 178.673 -0.514 1
1 380 . 18 1 1 A 36 36 ILE CA C 36 65.794 64.969 0.825 1
1 381 . 18 1 1 A 36 36 ILE CB C 36 38.008 37.218 0.790 1
1 385 . 18 1 1 A 36 36 ILE N N 36 122.240 120.702 1.538 1
1 386 . 18 1 1 A 37 37 ALA H H 37 8.438 8.006 0.432 1
1 387 . 18 1 1 A 37 37 ALA HA H 37 3.862 3.927 -0.065 1
1 391 . 18 1 1 A 37 37 ALA C C 37 179.276 178.682 0.594 1
1 392 . 18 1 1 A 37 37 ALA CA C 37 56.223 55.278 0.945 1
1 393 . 18 1 1 A 37 37 ALA CB C 37 17.186 18.470 -1.284 1
1 394 . 18 1 1 A 37 37 ALA N N 37 122.058 123.771 -1.713 1
1 395 . 18 1 1 A 38 38 ASP H H 38 8.072 8.293 -0.221 1
1 396 . 18 1 1 A 38 38 ASP HA H 38 4.495 4.362 0.133 1
1 399 . 18 1 1 A 38 38 ASP C C 38 178.984 178.574 0.410 1
1 400 . 18 1 1 A 38 38 ASP CA C 38 56.857 57.107 -0.250 1
1 401 . 18 1 1 A 38 38 ASP CB C 38 40.813 41.592 -0.779 1
1 402 . 18 1 1 A 38 38 ASP N N 38 115.894 119.117 -3.223 1
1 403 . 18 1 1 A 39 39 SER H H 39 7.954 7.460 0.494 1
1 404 . 18 1 1 A 39 39 SER HA H 39 4.247 4.241 0.006 1
1 406 . 18 1 1 A 39 39 SER C C 39 175.610 176.687 -1.077 1
1 407 . 18 1 1 A 39 39 SER CA C 39 61.580 61.340 0.240 1
1 408 . 18 1 1 A 39 39 SER CB C 39 63.373 62.989 0.384 1
1 409 . 18 1 1 A 39 39 SER N N 39 114.432 114.784 -0.352 1
1 410 . 18 1 1 A 40 40 VAL H H 40 7.850 7.322 0.528 1
1 411 . 18 1 1 A 40 40 VAL HA H 40 4.456 4.271 0.185 1
1 419 . 18 1 1 A 40 40 VAL C C 40 174.445 174.570 -0.125 1
1 420 . 18 1 1 A 40 40 VAL CA C 40 60.913 61.295 -0.382 1
1 421 . 18 1 1 A 40 40 VAL CB C 40 31.778 31.180 0.598 1
1 424 . 18 1 1 A 40 40 VAL N N 40 111.349 113.754 -2.405 1
1 425 . 18 1 1 A 41 41 ASN H H 41 7.804 8.046 -0.242 1
1 426 . 18 1 1 A 41 41 ASN HA H 41 4.348 4.309 0.039 1
1 431 . 18 1 1 A 41 41 ASN C C 41 174.008 173.705 0.303 1
1 432 . 18 1 1 A 41 41 ASN CA C 41 54.066 54.482 -0.416 1
1 433 . 18 1 1 A 41 41 ASN CB C 41 37.225 36.678 0.547 1
1 434 . 18 1 1 A 41 41 ASN N N 41 117.410 115.256 2.154 1
1 436 . 18 1 1 A 42 42 LEU H H 42 7.904 7.533 0.371 1
1 437 . 18 1 1 A 42 42 LEU HA H 42 5.001 4.792 0.209 1
1 447 . 18 1 1 A 42 42 LEU C C 42 173.886 174.220 -0.334 1
1 448 . 18 1 1 A 42 42 LEU CA C 42 51.484 51.477 0.007 1
1 449 . 18 1 1 A 42 42 LEU CB C 42 45.928 44.252 1.676 1
1 453 . 18 1 1 A 42 42 LEU N N 42 117.347 118.927 -1.580 1
1 454 . 18 1 1 A 43 43 PRO HA H 43 4.423 4.564 -0.141 1
1 461 . 18 1 1 A 43 43 PRO C C 43 178.013 176.654 1.359 1
1 462 . 18 1 1 A 43 43 PRO CA C 43 62.234 62.280 -0.046 1
1 463 . 18 1 1 A 43 43 PRO CB C 43 32.616 33.508 -0.892 1
1 466 . 18 1 1 A 44 44 LEU H H 44 8.758 8.865 -0.107 1
1 467 . 18 1 1 A 44 44 LEU HA H 44 3.780 4.203 -0.423 1
1 477 . 18 1 1 A 44 44 LEU C C 44 178.208 178.336 -0.128 1
1 478 . 18 1 1 A 44 44 LEU CA C 44 58.592 56.931 1.661 1
1 479 . 18 1 1 A 44 44 LEU CB C 44 41.747 41.800 -0.053 1
1 483 . 18 1 1 A 44 44 LEU N N 44 125.847 122.380 3.467 1
1 484 . 18 1 1 A 45 45 ASP H H 45 8.822 8.104 0.718 1
1 485 . 18 1 1 A 45 45 ASP HA H 45 4.270 4.437 -0.167 1
1 488 . 18 1 1 A 45 45 ASP C C 45 178.523 178.688 -0.165 1
1 489 . 18 1 1 A 45 45 ASP CA C 45 57.621 56.940 0.681 1
1 490 . 18 1 1 A 45 45 ASP CB C 45 40.612 41.104 -0.492 1
1 491 . 18 1 1 A 45 45 ASP N N 45 114.687 119.137 -4.450 1
1 492 . 18 1 1 A 46 46 VAL H H 46 7.098 7.884 -0.786 1
1 493 . 18 1 1 A 46 46 VAL HA H 46 3.707 3.695 0.012 1
1 501 . 18 1 1 A 46 46 VAL C C 46 178.353 178.515 -0.162 1
1 502 . 18 1 1 A 46 46 VAL CA C 46 65.770 66.624 -0.854 1
1 503 . 18 1 1 A 46 46 VAL CB C 46 32.179 31.628 0.551 1
1 506 . 18 1 1 A 46 46 VAL N N 46 118.849 120.420 -1.571 1
1 507 . 18 1 1 A 47 47 VAL H H 47 7.429 7.718 -0.289 1
1 508 . 18 1 1 A 47 47 VAL HA H 47 3.633 3.617 0.016 1
1 516 . 18 1 1 A 47 47 VAL C C 47 177.698 178.375 -0.677 1
1 517 . 18 1 1 A 47 47 VAL CA C 47 67.413 66.753 0.660 1
1 518 . 18 1 1 A 47 47 VAL CB C 47 32.258 31.573 0.685 1
1 521 . 18 1 1 A 47 47 VAL N N 47 120.616 120.681 -0.065 1
1 522 . 18 1 1 A 48 48 LYS H H 48 9.110 7.795 1.315 1
1 523 . 18 1 1 A 48 48 LYS HA H 48 4.005 4.108 -0.103 1
1 531 . 18 1 1 A 48 48 LYS C C 48 178.717 179.223 -0.506 1
1 532 . 18 1 1 A 48 48 LYS CA C 48 60.749 60.436 0.313 1
1 533 . 18 1 1 A 48 48 LYS CB C 48 33.140 32.186 0.954 1
1 537 . 18 1 1 A 48 48 LYS N N 48 119.748 119.437 0.311 1
1 538 . 18 1 1 A 49 49 LYS H H 49 7.901 7.811 0.090 1
1 539 . 18 1 1 A 49 49 LYS HA H 49 4.116 4.063 0.053 1
1 547 . 18 1 1 A 49 49 LYS C C 49 178.863 178.721 0.142 1
1 548 . 18 1 1 A 49 49 LYS CA C 49 59.087 59.282 -0.195 1
1 549 . 18 1 1 A 49 49 LYS CB C 49 32.085 32.169 -0.084 1
1 553 . 18 1 1 A 49 49 LYS N N 49 117.787 119.662 -1.875 1
1 554 . 18 1 1 A 50 50 TRP H H 50 8.060 7.926 0.134 1
1 555 . 18 1 1 A 50 50 TRP HA H 50 4.089 4.214 -0.125 1
1 564 . 18 1 1 A 50 50 TRP C C 50 178.547 178.375 0.172 1
1 565 . 18 1 1 A 50 50 TRP CA C 50 62.575 60.704 1.871 1
1 566 . 18 1 1 A 50 50 TRP CB C 50 28.755 29.545 -0.790 1
1 572 . 18 1 1 A 50 50 TRP N N 50 121.102 121.407 -0.305 1
1 574 . 18 1 1 A 51 51 PHE H H 51 8.695 8.215 0.480 1
1 575 . 18 1 1 A 51 51 PHE HA H 51 3.750 4.299 -0.549 1
1 583 . 18 1 1 A 51 51 PHE C C 51 178.620 178.451 0.169 1
1 584 . 18 1 1 A 51 51 PHE CA C 51 63.542 61.851 1.691 1
1 585 . 18 1 1 A 51 51 PHE CB C 51 39.112 39.102 0.010 1
1 591 . 18 1 1 A 51 51 PHE N N 51 118.773 118.327 0.446 1
1 592 . 18 1 1 A 52 52 GLU H H 52 8.399 8.498 -0.099 1
1 593 . 18 1 1 A 52 52 GLU HA H 52 4.077 3.957 0.120 1
1 598 . 18 1 1 A 52 52 GLU C C 52 179.834 179.539 0.295 1
1 599 . 18 1 1 A 52 52 GLU CA C 52 59.657 60.104 -0.447 1
1 600 . 18 1 1 A 52 52 GLU CB C 52 29.561 29.244 0.317 1
1 602 . 18 1 1 A 52 52 GLU N N 52 118.518 117.736 0.782 1
1 603 . 18 1 1 A 53 53 LYS H H 53 7.957 8.048 -0.091 1
1 604 . 18 1 1 A 53 53 LYS HA H 53 3.981 4.008 -0.027 1
1 612 . 18 1 1 A 53 53 LYS C C 53 179.349 178.875 0.474 1
1 613 . 18 1 1 A 53 53 LYS CA C 53 59.087 59.064 0.023 1
1 614 . 18 1 1 A 53 53 LYS CB C 53 32.091 32.280 -0.189 1
1 618 . 18 1 1 A 53 53 LYS N N 53 120.286 120.025 0.261 1
1 619 . 18 1 1 A 54 54 MET H H 54 7.762 7.993 -0.231 1
1 620 . 18 1 1 A 54 54 MET HA H 54 3.853 3.902 -0.049 1
1 626 . 18 1 1 A 54 54 MET C C 54 179.349 178.156 1.193 1
1 627 . 18 1 1 A 54 54 MET CA C 54 57.071 58.005 -0.934 1
1 628 . 18 1 1 A 54 54 MET CB C 54 31.158 31.403 -0.245 1
1 631 . 18 1 1 A 54 54 MET N N 54 119.874 118.734 1.140 1
1 632 . 18 1 1 A 55 55 GLN H H 55 8.284 8.389 -0.105 1
1 633 . 18 1 1 A 55 55 GLN HA H 55 4.172 4.174 -0.002 1
1 640 . 18 1 1 A 55 55 GLN C C 55 178.013 177.606 0.407 1
1 641 . 18 1 1 A 55 55 GLN CA C 55 57.906 58.457 -0.551 1
1 642 . 18 1 1 A 55 55 GLN CB C 55 28.308 28.341 -0.033 1
1 644 . 18 1 1 A 55 55 GLN N N 55 119.171 118.435 0.736 1
1 646 . 18 1 1 A 56 56 ALA H H 56 7.665 7.462 0.203 1
1 647 . 18 1 1 A 56 56 ALA HA H 56 4.289 4.303 -0.014 1
1 651 . 18 1 1 A 56 56 ALA C C 56 178.572 177.598 0.974 1
1 652 . 18 1 1 A 56 56 ALA CA C 56 53.041 52.429 0.612 1
1 653 . 18 1 1 A 56 56 ALA CB C 56 18.784 19.703 -0.919 1
1 654 . 18 1 1 A 56 56 ALA N N 56 120.252 119.261 0.991 1
1 655 . 18 1 1 A 57 57 GLY H H 57 7.802 7.475 0.327 1
1 656 . 18 1 1 A 57 57 GLY HA2 H 57 3.945 3.920 0.025 1
1 657 . 18 1 1 A 57 57 GLY HA3 H 57 3.945 3.947 -0.002 1
1 658 . 18 1 1 A 57 57 GLY C C 57 174.809 175.227 -0.418 1
1 659 . 18 1 1 A 57 57 GLY CA C 57 45.748 45.334 0.414 1
1 660 . 18 1 1 A 57 57 GLY N N 57 106.361 105.952 0.409 1
1 661 . 18 1 1 A 58 58 GLN H H 58 7.961 8.104 -0.143 1
1 662 . 18 1 1 A 58 58 GLN HA H 58 4.280 4.189 0.091 1
1 669 . 18 1 1 A 58 58 GLN C C 58 175.877 176.633 -0.756 1
1 670 . 18 1 1 A 58 58 GLN CA C 58 55.890 57.762 -1.872 1
1 671 . 18 1 1 A 58 58 GLN CB C 58 29.211 29.312 -0.101 1
1 673 . 18 1 1 A 58 58 GLN N N 58 118.690 117.541 1.149 1
1 675 . 18 1 1 A 59 59 ILE H H 59 7.828 7.461 0.367 1
1 676 . 18 1 1 A 59 59 ILE HA H 59 4.178 4.073 0.105 1
1 686 . 18 1 1 A 59 59 ILE C C 59 175.950 175.262 0.688 1
1 687 . 18 1 1 A 59 59 ILE CA C 59 60.796 61.141 -0.345 1
1 688 . 18 1 1 A 59 59 ILE CB C 59 38.884 37.221 1.663 1
1 692 . 18 1 1 A 59 59 ILE N N 59 119.986 121.599 -1.613 1
1 693 . 18 1 1 A 60 60 SER H H 60 8.358 8.554 -0.196 1
1 694 . 18 1 1 A 60 60 SER HA H 60 4.485 4.501 -0.016 1
1 697 . 18 1 1 A 60 60 SER C C 60 174.542 174.237 0.305 1
1 698 . 18 1 1 A 60 60 SER CA C 60 58.000 59.222 -1.222 1
1 699 . 18 1 1 A 60 60 SER CB C 60 63.869 63.949 -0.080 1
1 700 . 18 1 1 A 60 60 SER N N 60 119.848 123.890 -4.042 1
1 701 . 18 1 1 A 61 61 VAL H H 61 8.223 8.674 -0.451 1
1 702 . 18 1 1 A 61 61 VAL HA H 61 4.132 4.470 -0.338 1
1 710 . 18 1 1 A 61 61 VAL C C 61 176.023 176.456 -0.433 1
1 711 . 18 1 1 A 61 61 VAL CA C 61 62.254 61.064 1.190 1
1 712 . 18 1 1 A 61 61 VAL CB C 61 32.702 32.308 0.394 1
1 715 . 18 1 1 A 61 61 VAL N N 61 121.796 126.123 -4.327 1
1 716 . 18 1 1 A 62 62 GLN H H 62 8.405 9.096 -0.691 1
1 717 . 18 1 1 A 62 62 GLN HA H 62 4.389 3.966 0.423 1
1 724 . 18 1 1 A 62 62 GLN C C 62 175.901 175.704 0.197 1
1 725 . 18 1 1 A 62 62 GLN CA C 62 55.792 56.654 -0.862 1
1 726 . 18 1 1 A 62 62 GLN CB C 62 29.530 27.460 2.070 1
1 728 . 18 1 1 A 62 62 GLN N N 62 123.728 126.369 -2.641 1
1 730 . 18 1 1 A 63 63 SER H H 63 8.396 7.859 0.537 1
1 731 . 18 1 1 A 63 63 SER HA H 63 4.482 4.354 0.128 1
1 734 . 18 1 1 A 63 63 SER C C 63 173.668 174.380 -0.712 1
1 735 . 18 1 1 A 63 63 SER CA C 63 58.445 58.764 -0.319 1
1 736 . 18 1 1 A 63 63 SER CB C 63 63.964 63.506 0.458 1
1 737 . 18 1 1 A 63 63 SER N N 63 118.100 115.876 2.224 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.502 4.875 -0.373 1
1 4 . 19 1 1 A 6 6 SER C C 6 175.076 174.878 0.198 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.733 57.541 1.192 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.809 64.863 -1.054 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.416 8.603 -0.187 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.966 3.928 0.038 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.966 3.929 0.037 1
1 10 . 19 1 1 A 7 7 GLY C C 7 173.813 173.250 0.563 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.226 46.260 -1.034 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.646 114.007 -3.361 1
1 13 . 19 1 1 A 8 8 GLN H H 8 8.187 8.299 -0.112 1
1 14 . 19 1 1 A 8 8 GLN HA H 8 4.656 5.001 -0.345 1
1 21 . 19 1 1 A 8 8 GLN C C 8 173.741 173.252 0.489 1
1 22 . 19 1 1 A 8 8 GLN CA C 8 53.677 52.545 1.132 1
1 23 . 19 1 1 A 8 8 GLN CB C 8 29.079 31.055 -1.976 1
1 25 . 19 1 1 A 8 8 GLN N N 8 120.767 122.298 -1.531 1
1 27 . 19 1 1 A 9 9 PRO HA H 9 4.723 4.683 0.040 1
1 34 . 19 1 1 A 9 9 PRO CB C 9 27.766 31.492 -3.726 1
1 37 . 19 1 1 A 10 10 PRO HA H 10 4.444 4.559 -0.115 1
1 43 . 19 1 1 A 10 10 PRO C C 10 177.309 176.437 0.872 1
1 44 . 19 1 1 A 10 10 PRO CA C 10 63.083 62.174 0.909 1
1 45 . 19 1 1 A 10 10 PRO CB C 10 31.881 33.049 -1.168 1
1 48 . 19 1 1 A 11 11 LEU H H 11 8.323 8.429 -0.106 1
1 49 . 19 1 1 A 11 11 LEU HA H 11 4.105 4.244 -0.139 1
1 59 . 19 1 1 A 11 11 LEU C C 11 178.232 178.165 0.067 1
1 60 . 19 1 1 A 11 11 LEU CA C 11 56.572 55.853 0.719 1
1 61 . 19 1 1 A 11 11 LEU CB C 11 42.000 42.719 -0.719 1
1 64 . 19 1 1 A 11 11 LEU N N 11 122.449 123.165 -0.716 1
1 65 . 19 1 1 A 12 12 LYS H H 12 8.319 8.573 -0.254 1
1 66 . 19 1 1 A 12 12 LYS HA H 12 3.986 4.054 -0.068 1
1 73 . 19 1 1 A 12 12 LYS C C 12 177.722 178.133 -0.411 1
1 74 . 19 1 1 A 12 12 LYS CA C 12 58.842 58.697 0.145 1
1 75 . 19 1 1 A 12 12 LYS CB C 12 32.388 32.027 0.361 1
1 79 . 19 1 1 A 12 12 LYS N N 12 118.575 125.175 -6.600 1
1 80 . 19 1 1 A 13 13 ASN H H 13 8.076 8.137 -0.061 1
1 81 . 19 1 1 A 13 13 ASN HA H 13 4.597 4.493 0.104 1
1 86 . 19 1 1 A 13 13 ASN C C 13 176.702 177.545 -0.843 1
1 87 . 19 1 1 A 13 13 ASN CA C 13 54.525 55.715 -1.190 1
1 88 . 19 1 1 A 13 13 ASN CB C 13 38.035 38.066 -0.031 1
1 89 . 19 1 1 A 13 13 ASN N N 13 117.381 117.739 -0.358 1
1 91 . 19 1 1 A 14 14 LEU H H 14 7.948 8.001 -0.053 1
1 92 . 19 1 1 A 14 14 LEU HA H 14 4.099 4.024 0.075 1
1 102 . 19 1 1 A 14 14 LEU C C 14 177.868 179.031 -1.163 1
1 103 . 19 1 1 A 14 14 LEU CA C 14 56.861 57.218 -0.357 1
1 104 . 19 1 1 A 14 14 LEU CB C 14 42.012 41.625 0.387 1
1 108 . 19 1 1 A 14 14 LEU N N 14 121.775 115.775 6.000 1
1 109 . 19 1 1 A 15 15 LEU H H 15 7.996 8.004 -0.008 1
1 110 . 19 1 1 A 15 15 LEU HA H 15 3.705 3.914 -0.209 1
1 120 . 19 1 1 A 15 15 LEU C C 15 178.887 178.768 0.119 1
1 121 . 19 1 1 A 15 15 LEU CA C 15 58.201 58.061 0.140 1
1 122 . 19 1 1 A 15 15 LEU CB C 15 41.067 41.792 -0.725 1
1 126 . 19 1 1 A 15 15 LEU N N 15 119.072 120.399 -1.327 1
1 127 . 19 1 1 A 16 16 SER H H 16 7.968 8.166 -0.198 1
1 128 . 19 1 1 A 16 16 SER HA H 16 4.064 4.150 -0.086 1
1 131 . 19 1 1 A 16 16 SER C C 16 176.897 176.164 0.733 1
1 132 . 19 1 1 A 16 16 SER CA C 16 61.915 62.253 -0.338 1
1 133 . 19 1 1 A 16 16 SER CB C 16 62.496 62.709 -0.213 1
1 134 . 19 1 1 A 16 16 SER N N 16 113.400 113.656 -0.256 1
1 135 . 19 1 1 A 17 17 LEU H H 17 7.487 8.194 -0.707 1
1 136 . 19 1 1 A 17 17 LEU HA H 17 3.980 3.864 0.116 1
1 140 . 19 1 1 A 17 17 LEU C C 17 178.547 178.716 -0.169 1
1 141 . 19 1 1 A 17 17 LEU CA C 17 58.205 58.133 0.072 1
1 142 . 19 1 1 A 17 17 LEU CB C 17 41.973 41.609 0.364 1
1 143 . 19 1 1 A 17 17 LEU N N 17 122.840 121.054 1.786 1
1 144 . 19 1 1 A 18 18 LEU H H 18 7.950 7.832 0.118 1
1 145 . 19 1 1 A 18 18 LEU HA H 18 3.982 3.711 0.271 1
1 154 . 19 1 1 A 18 18 LEU C C 18 178.645 178.613 0.032 1
1 155 . 19 1 1 A 18 18 LEU CA C 18 58.203 57.754 0.449 1
1 156 . 19 1 1 A 18 18 LEU CB C 18 38.932 40.627 -1.695 1
1 160 . 19 1 1 A 18 18 LEU N N 18 118.407 118.217 0.190 1
1 161 . 19 1 1 A 19 19 LYS H H 19 8.352 7.851 0.501 1
1 162 . 19 1 1 A 19 19 LYS HA H 19 4.051 3.960 0.091 1
1 169 . 19 1 1 A 19 19 LYS C C 19 178.960 178.599 0.361 1
1 170 . 19 1 1 A 19 19 LYS CA C 19 60.537 59.295 1.242 1
1 171 . 19 1 1 A 19 19 LYS CB C 19 32.332 32.440 -0.108 1
1 175 . 19 1 1 A 19 19 LYS N N 19 118.242 119.361 -1.119 1
1 176 . 19 1 1 A 20 20 ALA H H 20 7.717 7.672 0.045 1
1 177 . 19 1 1 A 20 20 ALA HA H 20 4.202 4.009 0.193 1
1 181 . 19 1 1 A 20 20 ALA C C 20 180.732 179.857 0.875 1
1 182 . 19 1 1 A 20 20 ALA CA C 20 54.879 55.201 -0.322 1
1 183 . 19 1 1 A 20 20 ALA CB C 20 17.608 18.403 -0.795 1
1 184 . 19 1 1 A 20 20 ALA N N 20 122.505 122.188 0.317 1
1 185 . 19 1 1 A 21 21 TYR HA H 21 4.236 4.316 -0.080 1
1 192 . 19 1 1 A 21 21 TYR C C 21 178.839 178.233 0.606 1
1 193 . 19 1 1 A 21 21 TYR CA C 21 63.047 60.802 2.245 1
1 194 . 19 1 1 A 21 21 TYR CB C 21 38.388 38.779 -0.391 1
1 199 . 19 1 1 A 22 22 TYR H H 22 8.857 7.928 0.929 1
1 200 . 19 1 1 A 22 22 TYR HA H 22 4.305 4.831 -0.526 1
1 207 . 19 1 1 A 22 22 TYR C C 22 176.338 177.492 -1.154 1
1 208 . 19 1 1 A 22 22 TYR CA C 22 61.389 62.085 -0.696 1
1 209 . 19 1 1 A 22 22 TYR CB C 22 38.790 39.223 -0.433 1
1 214 . 19 1 1 A 22 22 TYR N N 22 122.639 119.881 2.758 1
1 215 . 19 1 1 A 23 23 ALA H H 23 7.762 8.079 -0.317 1
1 216 . 19 1 1 A 23 23 ALA HA H 23 4.047 3.999 0.048 1
1 220 . 19 1 1 A 23 23 ALA C C 23 179.179 179.725 -0.546 1
1 221 . 19 1 1 A 23 23 ALA CA C 23 53.906 55.123 -1.217 1
1 222 . 19 1 1 A 23 23 ALA CB C 23 18.328 18.622 -0.294 1
1 223 . 19 1 1 A 23 23 ALA N N 23 117.361 121.864 -4.503 1
1 224 . 19 1 1 A 24 24 LEU H H 24 7.267 7.686 -0.419 1
1 225 . 19 1 1 A 24 24 LEU HA H 24 4.210 4.058 0.152 1
1 235 . 19 1 1 A 24 24 LEU C C 24 177.673 176.287 1.386 1
1 236 . 19 1 1 A 24 24 LEU CA C 24 56.382 57.623 -1.241 1
1 237 . 19 1 1 A 24 24 LEU CB C 24 42.933 41.495 1.438 1
1 241 . 19 1 1 A 24 24 LEU N N 24 117.259 114.954 2.305 1
1 242 . 19 1 1 A 25 25 ASN H H 25 7.862 8.448 -0.586 1
1 243 . 19 1 1 A 25 25 ASN HA H 25 4.466 4.973 -0.507 1
1 248 . 19 1 1 A 25 25 ASN C C 25 173.036 175.608 -2.572 1
1 249 . 19 1 1 A 25 25 ASN CA C 25 53.077 51.645 1.432 1
1 250 . 19 1 1 A 25 25 ASN CB C 25 37.853 39.390 -1.537 1
1 251 . 19 1 1 A 25 25 ASN N N 25 116.521 118.364 -1.843 1
1 253 . 19 1 1 A 26 26 ALA H H 26 8.283 8.748 -0.465 1
1 254 . 19 1 1 A 26 26 ALA HA H 26 3.905 4.078 -0.173 1
1 258 . 19 1 1 A 26 26 ALA C C 26 177.212 177.970 -0.758 1
1 259 . 19 1 1 A 26 26 ALA CA C 26 53.323 55.495 -2.172 1
1 260 . 19 1 1 A 26 26 ALA CB C 26 19.548 18.938 0.610 1
1 261 . 19 1 1 A 26 26 ALA N N 26 126.202 128.843 -2.641 1
1 262 . 19 1 1 A 27 27 GLN H H 27 7.729 7.892 -0.163 1
1 263 . 19 1 1 A 27 27 GLN HA H 27 4.619 4.612 0.007 1
1 270 . 19 1 1 A 27 27 GLN C C 27 172.090 174.187 -2.097 1
1 271 . 19 1 1 A 27 27 GLN CA C 27 52.706 53.072 -0.366 1
1 272 . 19 1 1 A 27 27 GLN CB C 27 29.636 28.634 1.002 1
1 274 . 19 1 1 A 27 27 GLN N N 27 113.721 113.731 -0.010 1
1 276 . 19 1 1 A 28 28 PRO HA H 28 4.485 4.554 -0.069 1
1 283 . 19 1 1 A 28 28 PRO C C 28 177.018 176.654 0.364 1
1 284 . 19 1 1 A 28 28 PRO CA C 28 62.562 62.354 0.208 1
1 285 . 19 1 1 A 28 28 PRO CB C 28 31.813 32.292 -0.479 1
1 288 . 19 1 1 A 29 29 SER H H 29 9.097 8.271 0.826 1
1 289 . 19 1 1 A 29 29 SER HA H 29 4.398 4.596 -0.198 1
1 292 . 19 1 1 A 29 29 SER C C 29 174.372 175.488 -1.116 1
1 293 . 19 1 1 A 29 29 SER CA C 29 56.986 56.590 0.396 1
1 294 . 19 1 1 A 29 29 SER CB C 29 65.661 65.940 -0.279 1
1 295 . 19 1 1 A 29 29 SER N N 29 118.156 114.768 3.388 1
1 296 . 19 1 1 A 30 30 ALA H H 30 8.916 8.949 -0.033 1
1 297 . 19 1 1 A 30 30 ALA HA H 30 3.965 3.995 -0.030 1
1 301 . 19 1 1 A 30 30 ALA C C 30 180.732 179.928 0.804 1
1 302 . 19 1 1 A 30 30 ALA CA C 30 56.044 55.547 0.497 1
1 303 . 19 1 1 A 30 30 ALA CB C 30 17.925 18.303 -0.378 1
1 304 . 19 1 1 A 30 30 ALA N N 30 123.162 123.371 -0.209 1
1 305 . 19 1 1 A 31 31 GLU H H 31 8.591 8.163 0.428 1
1 306 . 19 1 1 A 31 31 GLU HA H 31 4.011 3.994 0.017 1
1 310 . 19 1 1 A 31 31 GLU C C 31 179.519 179.340 0.179 1
1 311 . 19 1 1 A 31 31 GLU CA C 31 59.788 59.633 0.155 1
1 312 . 19 1 1 A 31 31 GLU CB C 31 29.349 29.337 0.012 1
1 314 . 19 1 1 A 31 31 GLU N N 31 118.280 117.997 0.283 1
1 315 . 19 1 1 A 32 32 GLU H H 32 7.702 7.845 -0.143 1
1 316 . 19 1 1 A 32 32 GLU HA H 32 3.844 4.149 -0.305 1
1 320 . 19 1 1 A 32 32 GLU C C 32 179.446 178.960 0.486 1
1 321 . 19 1 1 A 32 32 GLU CA C 32 59.408 58.828 0.580 1
1 322 . 19 1 1 A 32 32 GLU CB C 32 29.829 29.866 -0.037 1
1 324 . 19 1 1 A 32 32 GLU N N 32 121.025 120.135 0.890 1
1 325 . 19 1 1 A 33 33 LEU H H 33 8.679 8.415 0.264 1
1 326 . 19 1 1 A 33 33 LEU HA H 33 3.645 3.872 -0.227 1
1 336 . 19 1 1 A 33 33 LEU C C 33 178.378 179.040 -0.662 1
1 337 . 19 1 1 A 33 33 LEU CA C 33 58.218 57.901 0.317 1
1 338 . 19 1 1 A 33 33 LEU CB C 33 42.339 41.538 0.801 1
1 342 . 19 1 1 A 33 33 LEU N N 33 119.993 121.044 -1.051 1
1 343 . 19 1 1 A 34 34 SER H H 34 7.727 8.039 -0.312 1
1 344 . 19 1 1 A 34 34 SER HA H 34 4.116 4.026 0.090 1
1 347 . 19 1 1 A 34 34 SER C C 34 176.484 177.516 -1.032 1
1 348 . 19 1 1 A 34 34 SER CA C 34 62.063 61.709 0.354 1
1 349 . 19 1 1 A 34 34 SER CB C 34 62.725 63.016 -0.291 1
1 350 . 19 1 1 A 34 34 SER N N 34 113.341 113.669 -0.328 1
1 351 . 19 1 1 A 35 35 LYS H H 35 7.525 7.921 -0.396 1
1 352 . 19 1 1 A 35 35 LYS HA H 35 4.122 3.916 0.206 1
1 361 . 19 1 1 A 35 35 LYS C C 35 180.368 179.120 1.248 1
1 362 . 19 1 1 A 35 35 LYS CA C 35 59.502 59.493 0.009 1
1 363 . 19 1 1 A 35 35 LYS CB C 35 32.414 32.219 0.195 1
1 367 . 19 1 1 A 35 35 LYS N N 35 120.812 121.061 -0.249 1
1 368 . 19 1 1 A 36 36 ILE H H 36 8.219 7.731 0.488 1
1 369 . 19 1 1 A 36 36 ILE HA H 36 3.280 3.470 -0.190 1
1 379 . 19 1 1 A 36 36 ILE C C 36 178.159 178.174 -0.015 1
1 380 . 19 1 1 A 36 36 ILE CA C 36 65.794 64.932 0.862 1
1 381 . 19 1 1 A 36 36 ILE CB C 36 38.008 37.062 0.946 1
1 385 . 19 1 1 A 36 36 ILE N N 36 122.240 120.250 1.990 1
1 386 . 19 1 1 A 37 37 ALA H H 37 8.438 7.885 0.553 1
1 387 . 19 1 1 A 37 37 ALA HA H 37 3.862 3.996 -0.134 1
1 391 . 19 1 1 A 37 37 ALA C C 37 179.276 179.115 0.161 1
1 392 . 19 1 1 A 37 37 ALA CA C 37 56.223 55.299 0.924 1
1 393 . 19 1 1 A 37 37 ALA CB C 37 17.186 17.742 -0.556 1
1 394 . 19 1 1 A 37 37 ALA N N 37 122.058 121.947 0.111 1
1 395 . 19 1 1 A 38 38 ASP H H 38 8.072 8.212 -0.140 1
1 396 . 19 1 1 A 38 38 ASP HA H 38 4.495 4.450 0.045 1
1 399 . 19 1 1 A 38 38 ASP C C 38 178.984 178.031 0.953 1
1 400 . 19 1 1 A 38 38 ASP CA C 38 56.857 56.717 0.140 1
1 401 . 19 1 1 A 38 38 ASP CB C 38 40.813 41.385 -0.572 1
1 402 . 19 1 1 A 38 38 ASP N N 38 115.894 118.357 -2.463 1
1 403 . 19 1 1 A 39 39 SER H H 39 7.954 7.534 0.420 1
1 404 . 19 1 1 A 39 39 SER HA H 39 4.247 4.337 -0.090 1
1 406 . 19 1 1 A 39 39 SER C C 39 175.610 175.975 -0.365 1
1 407 . 19 1 1 A 39 39 SER CA C 39 61.580 62.005 -0.425 1
1 408 . 19 1 1 A 39 39 SER CB C 39 63.373 63.426 -0.053 1
1 409 . 19 1 1 A 39 39 SER N N 39 114.432 115.959 -1.527 1
1 410 . 19 1 1 A 40 40 VAL H H 40 7.850 7.022 0.828 1
1 411 . 19 1 1 A 40 40 VAL HA H 40 4.456 4.286 0.170 1
1 419 . 19 1 1 A 40 40 VAL C C 40 174.445 175.764 -1.319 1
1 420 . 19 1 1 A 40 40 VAL CA C 40 60.913 61.020 -0.107 1
1 421 . 19 1 1 A 40 40 VAL CB C 40 31.778 31.205 0.573 1
1 424 . 19 1 1 A 40 40 VAL N N 40 111.349 114.564 -3.215 1
1 425 . 19 1 1 A 41 41 ASN H H 41 7.804 8.120 -0.316 1
1 426 . 19 1 1 A 41 41 ASN HA H 41 4.348 4.310 0.038 1
1 431 . 19 1 1 A 41 41 ASN C C 41 174.008 173.751 0.257 1
1 432 . 19 1 1 A 41 41 ASN CA C 41 54.066 54.278 -0.212 1
1 433 . 19 1 1 A 41 41 ASN CB C 41 37.225 37.682 -0.457 1
1 434 . 19 1 1 A 41 41 ASN N N 41 117.410 119.263 -1.853 1
1 436 . 19 1 1 A 42 42 LEU H H 42 7.904 7.810 0.094 1
1 437 . 19 1 1 A 42 42 LEU HA H 42 5.001 4.814 0.187 1
1 447 . 19 1 1 A 42 42 LEU C C 42 173.886 174.492 -0.606 1
1 448 . 19 1 1 A 42 42 LEU CA C 42 51.484 51.751 -0.267 1
1 449 . 19 1 1 A 42 42 LEU CB C 42 45.928 43.814 2.114 1
1 453 . 19 1 1 A 42 42 LEU N N 42 117.347 119.498 -2.151 1
1 454 . 19 1 1 A 43 43 PRO HA H 43 4.423 4.554 -0.131 1
1 461 . 19 1 1 A 43 43 PRO C C 43 178.013 176.653 1.360 1
1 462 . 19 1 1 A 43 43 PRO CA C 43 62.234 62.286 -0.052 1
1 463 . 19 1 1 A 43 43 PRO CB C 43 32.616 33.517 -0.901 1
1 466 . 19 1 1 A 44 44 LEU H H 44 8.758 8.867 -0.109 1
1 467 . 19 1 1 A 44 44 LEU HA H 44 3.780 4.193 -0.413 1
1 477 . 19 1 1 A 44 44 LEU C C 44 178.208 178.262 -0.054 1
1 478 . 19 1 1 A 44 44 LEU CA C 44 58.592 56.941 1.651 1
1 479 . 19 1 1 A 44 44 LEU CB C 44 41.747 41.806 -0.059 1
1 483 . 19 1 1 A 44 44 LEU N N 44 125.847 122.313 3.534 1
1 484 . 19 1 1 A 45 45 ASP H H 45 8.822 8.085 0.737 1
1 485 . 19 1 1 A 45 45 ASP HA H 45 4.270 4.405 -0.135 1
1 488 . 19 1 1 A 45 45 ASP C C 45 178.523 178.750 -0.227 1
1 489 . 19 1 1 A 45 45 ASP CA C 45 57.621 56.928 0.693 1
1 490 . 19 1 1 A 45 45 ASP CB C 45 40.612 41.117 -0.505 1
1 491 . 19 1 1 A 45 45 ASP N N 45 114.687 119.123 -4.436 1
1 492 . 19 1 1 A 46 46 VAL H H 46 7.098 7.989 -0.891 1
1 493 . 19 1 1 A 46 46 VAL HA H 46 3.707 3.637 0.070 1
1 501 . 19 1 1 A 46 46 VAL C C 46 178.353 178.623 -0.270 1
1 502 . 19 1 1 A 46 46 VAL CA C 46 65.770 66.696 -0.926 1
1 503 . 19 1 1 A 46 46 VAL CB C 46 32.179 31.673 0.506 1
1 506 . 19 1 1 A 46 46 VAL N N 46 118.849 120.094 -1.245 1
1 507 . 19 1 1 A 47 47 VAL H H 47 7.429 7.758 -0.329 1
1 508 . 19 1 1 A 47 47 VAL HA H 47 3.633 3.509 0.124 1
1 516 . 19 1 1 A 47 47 VAL C C 47 177.698 177.944 -0.246 1
1 517 . 19 1 1 A 47 47 VAL CA C 47 67.413 66.714 0.699 1
1 518 . 19 1 1 A 47 47 VAL CB C 47 32.258 31.468 0.790 1
1 521 . 19 1 1 A 47 47 VAL N N 47 120.616 119.817 0.799 1
1 522 . 19 1 1 A 48 48 LYS H H 48 9.110 7.805 1.305 1
1 523 . 19 1 1 A 48 48 LYS HA H 48 4.005 4.102 -0.097 1
1 531 . 19 1 1 A 48 48 LYS C C 48 178.717 179.248 -0.531 1
1 532 . 19 1 1 A 48 48 LYS CA C 48 60.749 60.690 0.059 1
1 533 . 19 1 1 A 48 48 LYS CB C 48 33.140 32.409 0.731 1
1 537 . 19 1 1 A 48 48 LYS N N 48 119.748 119.147 0.601 1
1 538 . 19 1 1 A 49 49 LYS H H 49 7.901 8.042 -0.141 1
1 539 . 19 1 1 A 49 49 LYS HA H 49 4.116 3.963 0.153 1
1 547 . 19 1 1 A 49 49 LYS C C 49 178.863 178.675 0.188 1
1 548 . 19 1 1 A 49 49 LYS CA C 49 59.087 59.757 -0.670 1
1 549 . 19 1 1 A 49 49 LYS CB C 49 32.085 32.238 -0.153 1
1 553 . 19 1 1 A 49 49 LYS N N 49 117.787 119.138 -1.351 1
1 554 . 19 1 1 A 50 50 TRP H H 50 8.060 7.839 0.221 1
1 555 . 19 1 1 A 50 50 TRP HA H 50 4.089 4.128 -0.039 1
1 564 . 19 1 1 A 50 50 TRP C C 50 178.547 178.155 0.392 1
1 565 . 19 1 1 A 50 50 TRP CA C 50 62.575 60.660 1.915 1
1 566 . 19 1 1 A 50 50 TRP CB C 50 28.755 29.565 -0.810 1
1 572 . 19 1 1 A 50 50 TRP N N 50 121.102 121.341 -0.239 1
1 574 . 19 1 1 A 51 51 PHE H H 51 8.695 8.091 0.604 1
1 575 . 19 1 1 A 51 51 PHE HA H 51 3.750 4.094 -0.344 1
1 583 . 19 1 1 A 51 51 PHE C C 51 178.620 178.233 0.387 1
1 584 . 19 1 1 A 51 51 PHE CA C 51 63.542 62.104 1.438 1
1 585 . 19 1 1 A 51 51 PHE CB C 51 39.112 38.629 0.483 1
1 591 . 19 1 1 A 51 51 PHE N N 51 118.773 118.005 0.768 1
1 592 . 19 1 1 A 52 52 GLU H H 52 8.399 8.400 -0.001 1
1 593 . 19 1 1 A 52 52 GLU HA H 52 4.077 3.887 0.190 1
1 598 . 19 1 1 A 52 52 GLU C C 52 179.834 179.153 0.681 1
1 599 . 19 1 1 A 52 52 GLU CA C 52 59.657 60.078 -0.421 1
1 600 . 19 1 1 A 52 52 GLU CB C 52 29.561 29.165 0.396 1
1 602 . 19 1 1 A 52 52 GLU N N 52 118.518 118.143 0.375 1
1 603 . 19 1 1 A 53 53 LYS H H 53 7.957 7.915 0.042 1
1 604 . 19 1 1 A 53 53 LYS HA H 53 3.981 3.972 0.009 1
1 612 . 19 1 1 A 53 53 LYS C C 53 179.349 178.621 0.728 1
1 613 . 19 1 1 A 53 53 LYS CA C 53 59.087 59.159 -0.072 1
1 614 . 19 1 1 A 53 53 LYS CB C 53 32.091 32.398 -0.307 1
1 618 . 19 1 1 A 53 53 LYS N N 53 120.286 119.946 0.340 1
1 619 . 19 1 1 A 54 54 MET H H 54 7.762 8.081 -0.319 1
1 620 . 19 1 1 A 54 54 MET HA H 54 3.853 3.672 0.181 1
1 626 . 19 1 1 A 54 54 MET C C 54 179.349 177.868 1.481 1
1 627 . 19 1 1 A 54 54 MET CA C 54 57.071 58.255 -1.184 1
1 628 . 19 1 1 A 54 54 MET CB C 54 31.158 31.055 0.103 1
1 631 . 19 1 1 A 54 54 MET N N 54 119.874 118.424 1.450 1
1 632 . 19 1 1 A 55 55 GLN H H 55 8.284 8.357 -0.073 1
1 633 . 19 1 1 A 55 55 GLN HA H 55 4.172 4.161 0.011 1
1 640 . 19 1 1 A 55 55 GLN C C 55 178.013 178.012 0.001 1
1 641 . 19 1 1 A 55 55 GLN CA C 55 57.906 58.749 -0.843 1
1 642 . 19 1 1 A 55 55 GLN CB C 55 28.308 28.231 0.077 1
1 644 . 19 1 1 A 55 55 GLN N N 55 119.171 117.788 1.383 1
1 646 . 19 1 1 A 56 56 ALA H H 56 7.665 7.036 0.629 1
1 647 . 19 1 1 A 56 56 ALA HA H 56 4.289 4.302 -0.013 1
1 651 . 19 1 1 A 56 56 ALA C C 56 178.572 177.762 0.810 1
1 652 . 19 1 1 A 56 56 ALA CA C 56 53.041 52.288 0.753 1
1 653 . 19 1 1 A 56 56 ALA CB C 56 18.784 19.562 -0.778 1
1 654 . 19 1 1 A 56 56 ALA N N 56 120.252 119.233 1.019 1
1 655 . 19 1 1 A 57 57 GLY H H 57 7.802 7.744 0.058 1
1 656 . 19 1 1 A 57 57 GLY HA2 H 57 3.945 3.913 0.032 1
1 657 . 19 1 1 A 57 57 GLY HA3 H 57 3.945 3.933 0.012 1
1 658 . 19 1 1 A 57 57 GLY C C 57 174.809 175.158 -0.349 1
1 659 . 19 1 1 A 57 57 GLY CA C 57 45.748 45.337 0.411 1
1 660 . 19 1 1 A 57 57 GLY N N 57 106.361 105.946 0.415 1
1 661 . 19 1 1 A 58 58 GLN H H 58 7.961 8.480 -0.519 1
1 662 . 19 1 1 A 58 58 GLN HA H 58 4.280 4.173 0.107 1
1 669 . 19 1 1 A 58 58 GLN C C 58 175.877 176.558 -0.681 1
1 670 . 19 1 1 A 58 58 GLN CA C 58 55.890 58.419 -2.529 1
1 671 . 19 1 1 A 58 58 GLN CB C 58 29.211 28.542 0.669 1
1 673 . 19 1 1 A 58 58 GLN N N 58 118.690 118.068 0.622 1
1 675 . 19 1 1 A 59 59 ILE H H 59 7.828 7.502 0.326 1
1 676 . 19 1 1 A 59 59 ILE HA H 59 4.178 3.975 0.203 1
1 686 . 19 1 1 A 59 59 ILE C C 59 175.950 175.423 0.527 1
1 687 . 19 1 1 A 59 59 ILE CA C 59 60.796 61.756 -0.960 1
1 688 . 19 1 1 A 59 59 ILE CB C 59 38.884 37.144 1.740 1
1 692 . 19 1 1 A 59 59 ILE N N 59 119.986 121.350 -1.364 1
1 693 . 19 1 1 A 60 60 SER H H 60 8.358 8.023 0.335 1
1 694 . 19 1 1 A 60 60 SER HA H 60 4.485 4.612 -0.127 1
1 697 . 19 1 1 A 60 60 SER C C 60 174.542 174.493 0.049 1
1 698 . 19 1 1 A 60 60 SER CA C 60 58.000 59.310 -1.310 1
1 699 . 19 1 1 A 60 60 SER CB C 60 63.869 63.956 -0.087 1
1 700 . 19 1 1 A 60 60 SER N N 60 119.848 123.363 -3.515 1
1 701 . 19 1 1 A 61 61 VAL H H 61 8.223 8.568 -0.345 1
1 702 . 19 1 1 A 61 61 VAL HA H 61 4.132 4.596 -0.464 1
1 710 . 19 1 1 A 61 61 VAL C C 61 176.023 173.168 2.855 1
1 711 . 19 1 1 A 61 61 VAL CA C 61 62.254 60.583 1.671 1
1 712 . 19 1 1 A 61 61 VAL CB C 61 32.702 34.549 -1.847 1
1 715 . 19 1 1 A 61 61 VAL N N 61 121.796 121.722 0.074 1
1 716 . 19 1 1 A 62 62 GLN H H 62 8.405 8.949 -0.544 1
1 717 . 19 1 1 A 62 62 GLN HA H 62 4.389 5.151 -0.762 1
1 724 . 19 1 1 A 62 62 GLN C C 62 175.901 175.289 0.612 1
1 725 . 19 1 1 A 62 62 GLN CA C 62 55.792 53.723 2.069 1
1 726 . 19 1 1 A 62 62 GLN CB C 62 29.530 32.454 -2.924 1
1 728 . 19 1 1 A 62 62 GLN N N 62 123.728 127.842 -4.114 1
1 730 . 19 1 1 A 63 63 SER H H 63 8.396 8.915 -0.519 1
1 731 . 19 1 1 A 63 63 SER HA H 63 4.482 4.621 -0.139 1
1 734 . 19 1 1 A 63 63 SER C C 63 173.668 174.677 -1.009 1
1 735 . 19 1 1 A 63 63 SER CA C 63 58.445 58.873 -0.428 1
1 736 . 19 1 1 A 63 63 SER CB C 63 63.964 63.713 0.251 1
1 737 . 19 1 1 A 63 63 SER N N 63 118.100 121.188 -3.088 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.502 3.982 0.520 1
1 4 . 20 1 1 A 6 6 SER C C 6 175.076 173.500 1.576 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.733 59.229 -0.496 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.809 61.755 2.054 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.416 8.007 0.409 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.966 4.169 -0.203 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.966 4.169 -0.203 1
1 10 . 20 1 1 A 7 7 GLY C C 7 173.813 173.878 -0.065 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.226 45.548 -0.322 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.646 107.628 3.018 1
1 13 . 20 1 1 A 8 8 GLN H H 8 8.187 8.544 -0.357 1
1 14 . 20 1 1 A 8 8 GLN HA H 8 4.656 4.662 -0.006 1
1 21 . 20 1 1 A 8 8 GLN C C 8 173.741 174.910 -1.169 1
1 22 . 20 1 1 A 8 8 GLN CA C 8 53.677 54.151 -0.474 1
1 23 . 20 1 1 A 8 8 GLN CB C 8 29.079 29.133 -0.054 1
1 25 . 20 1 1 A 8 8 GLN N N 8 120.767 122.702 -1.935 1
1 27 . 20 1 1 A 9 9 PRO HA H 9 4.723 4.684 0.039 1
1 34 . 20 1 1 A 9 9 PRO CB C 9 27.766 31.270 -3.504 1
1 37 . 20 1 1 A 10 10 PRO HA H 10 4.444 4.619 -0.175 1
1 43 . 20 1 1 A 10 10 PRO C C 10 177.309 176.657 0.652 1
1 44 . 20 1 1 A 10 10 PRO CA C 10 63.083 62.274 0.809 1
1 45 . 20 1 1 A 10 10 PRO CB C 10 31.881 32.354 -0.473 1
1 48 . 20 1 1 A 11 11 LEU H H 11 8.323 8.415 -0.092 1
1 49 . 20 1 1 A 11 11 LEU HA H 11 4.105 4.513 -0.408 1
1 59 . 20 1 1 A 11 11 LEU C C 11 178.232 178.099 0.133 1
1 60 . 20 1 1 A 11 11 LEU CA C 11 56.572 54.212 2.360 1
1 61 . 20 1 1 A 11 11 LEU CB C 11 42.000 42.467 -0.467 1
1 64 . 20 1 1 A 11 11 LEU N N 11 122.449 122.304 0.145 1
1 65 . 20 1 1 A 12 12 LYS H H 12 8.319 8.634 -0.315 1
1 66 . 20 1 1 A 12 12 LYS HA H 12 3.986 4.123 -0.137 1
1 73 . 20 1 1 A 12 12 LYS C C 12 177.722 178.556 -0.834 1
1 74 . 20 1 1 A 12 12 LYS CA C 12 58.842 58.821 0.021 1
1 75 . 20 1 1 A 12 12 LYS CB C 12 32.388 32.515 -0.127 1
1 79 . 20 1 1 A 12 12 LYS N N 12 118.575 120.716 -2.141 1
1 80 . 20 1 1 A 13 13 ASN H H 13 8.076 8.459 -0.383 1
1 81 . 20 1 1 A 13 13 ASN HA H 13 4.597 4.340 0.257 1
1 86 . 20 1 1 A 13 13 ASN C C 13 176.702 177.904 -1.202 1
1 87 . 20 1 1 A 13 13 ASN CA C 13 54.525 56.779 -2.254 1
1 88 . 20 1 1 A 13 13 ASN CB C 13 38.035 37.840 0.195 1
1 89 . 20 1 1 A 13 13 ASN N N 13 117.381 118.053 -0.672 1
1 91 . 20 1 1 A 14 14 LEU H H 14 7.948 8.215 -0.267 1
1 92 . 20 1 1 A 14 14 LEU HA H 14 4.099 3.859 0.240 1
1 102 . 20 1 1 A 14 14 LEU C C 14 177.868 178.248 -0.380 1
1 103 . 20 1 1 A 14 14 LEU CA C 14 56.861 58.686 -1.825 1
1 104 . 20 1 1 A 14 14 LEU CB C 14 42.012 41.916 0.096 1
1 108 . 20 1 1 A 14 14 LEU N N 14 121.775 121.688 0.087 1
1 109 . 20 1 1 A 15 15 LEU H H 15 7.996 8.202 -0.206 1
1 110 . 20 1 1 A 15 15 LEU HA H 15 3.705 3.384 0.321 1
1 120 . 20 1 1 A 15 15 LEU C C 15 178.887 178.727 0.160 1
1 121 . 20 1 1 A 15 15 LEU CA C 15 58.201 57.952 0.249 1
1 122 . 20 1 1 A 15 15 LEU CB C 15 41.067 41.872 -0.805 1
1 126 . 20 1 1 A 15 15 LEU N N 15 119.072 119.553 -0.481 1
1 127 . 20 1 1 A 16 16 SER H H 16 7.968 8.105 -0.137 1
1 128 . 20 1 1 A 16 16 SER HA H 16 4.064 4.083 -0.019 1
1 131 . 20 1 1 A 16 16 SER C C 16 176.897 176.296 0.601 1
1 132 . 20 1 1 A 16 16 SER CA C 16 61.915 62.432 -0.517 1
1 133 . 20 1 1 A 16 16 SER CB C 16 62.496 62.931 -0.435 1
1 134 . 20 1 1 A 16 16 SER N N 16 113.400 114.356 -0.956 1
1 135 . 20 1 1 A 17 17 LEU H H 17 7.487 7.874 -0.387 1
1 136 . 20 1 1 A 17 17 LEU HA H 17 3.980 3.956 0.024 1
1 140 . 20 1 1 A 17 17 LEU C C 17 178.547 179.204 -0.657 1
1 141 . 20 1 1 A 17 17 LEU CA C 17 58.205 58.111 0.094 1
1 142 . 20 1 1 A 17 17 LEU CB C 17 41.973 41.586 0.387 1
1 143 . 20 1 1 A 17 17 LEU N N 17 122.840 120.956 1.884 1
1 144 . 20 1 1 A 18 18 LEU H H 18 7.950 7.678 0.272 1
1 145 . 20 1 1 A 18 18 LEU HA H 18 3.982 3.846 0.136 1
1 154 . 20 1 1 A 18 18 LEU C C 18 178.645 178.894 -0.249 1
1 155 . 20 1 1 A 18 18 LEU CA C 18 58.203 57.855 0.348 1
1 156 . 20 1 1 A 18 18 LEU CB C 18 38.932 40.628 -1.696 1
1 160 . 20 1 1 A 18 18 LEU N N 18 118.407 117.796 0.611 1
1 161 . 20 1 1 A 19 19 LYS H H 19 8.352 8.442 -0.090 1
1 162 . 20 1 1 A 19 19 LYS HA H 19 4.051 4.104 -0.053 1
1 169 . 20 1 1 A 19 19 LYS C C 19 178.960 179.170 -0.210 1
1 170 . 20 1 1 A 19 19 LYS CA C 19 60.537 60.091 0.446 1
1 171 . 20 1 1 A 19 19 LYS CB C 19 32.332 32.292 0.040 1
1 175 . 20 1 1 A 19 19 LYS N N 19 118.242 116.892 1.350 1
1 176 . 20 1 1 A 20 20 ALA H H 20 7.717 8.063 -0.346 1
1 177 . 20 1 1 A 20 20 ALA HA H 20 4.202 4.063 0.139 1
1 181 . 20 1 1 A 20 20 ALA C C 20 180.732 179.073 1.659 1
1 182 . 20 1 1 A 20 20 ALA CA C 20 54.879 55.162 -0.283 1
1 183 . 20 1 1 A 20 20 ALA CB C 20 17.608 18.533 -0.925 1
1 184 . 20 1 1 A 20 20 ALA N N 20 122.505 121.919 0.586 1
1 185 . 20 1 1 A 21 21 TYR HA H 21 4.236 4.365 -0.129 1
1 192 . 20 1 1 A 21 21 TYR C C 21 178.839 178.246 0.593 1
1 193 . 20 1 1 A 21 21 TYR CA C 21 63.047 61.176 1.871 1
1 194 . 20 1 1 A 21 21 TYR CB C 21 38.388 38.406 -0.018 1
1 199 . 20 1 1 A 22 22 TYR H H 22 8.857 8.127 0.730 1
1 200 . 20 1 1 A 22 22 TYR HA H 22 4.305 4.763 -0.458 1
1 207 . 20 1 1 A 22 22 TYR C C 22 176.338 177.275 -0.937 1
1 208 . 20 1 1 A 22 22 TYR CA C 22 61.389 62.074 -0.685 1
1 209 . 20 1 1 A 22 22 TYR CB C 22 38.790 39.131 -0.341 1
1 214 . 20 1 1 A 22 22 TYR N N 22 122.639 119.783 2.856 1
1 215 . 20 1 1 A 23 23 ALA H H 23 7.762 8.422 -0.660 1
1 216 . 20 1 1 A 23 23 ALA HA H 23 4.047 4.239 -0.192 1
1 220 . 20 1 1 A 23 23 ALA C C 23 179.179 179.525 -0.346 1
1 221 . 20 1 1 A 23 23 ALA CA C 23 53.906 55.218 -1.312 1
1 222 . 20 1 1 A 23 23 ALA CB C 23 18.328 18.502 -0.174 1
1 223 . 20 1 1 A 23 23 ALA N N 23 117.361 121.890 -4.529 1
1 224 . 20 1 1 A 24 24 LEU H H 24 7.267 7.626 -0.359 1
1 225 . 20 1 1 A 24 24 LEU HA H 24 4.210 4.240 -0.030 1
1 235 . 20 1 1 A 24 24 LEU C C 24 177.673 176.297 1.376 1
1 236 . 20 1 1 A 24 24 LEU CA C 24 56.382 56.935 -0.553 1
1 237 . 20 1 1 A 24 24 LEU CB C 24 42.933 42.429 0.504 1
1 241 . 20 1 1 A 24 24 LEU N N 24 117.259 114.719 2.540 1
1 242 . 20 1 1 A 25 25 ASN H H 25 7.862 8.288 -0.426 1
1 243 . 20 1 1 A 25 25 ASN HA H 25 4.466 4.911 -0.445 1
1 248 . 20 1 1 A 25 25 ASN C C 25 173.036 175.049 -2.013 1
1 249 . 20 1 1 A 25 25 ASN CA C 25 53.077 51.519 1.558 1
1 250 . 20 1 1 A 25 25 ASN CB C 25 37.853 38.865 -1.012 1
1 251 . 20 1 1 A 25 25 ASN N N 25 116.521 118.069 -1.548 1
1 253 . 20 1 1 A 26 26 ALA H H 26 8.283 8.599 -0.316 1
1 254 . 20 1 1 A 26 26 ALA HA H 26 3.905 3.368 0.537 1
1 258 . 20 1 1 A 26 26 ALA C C 26 177.212 177.845 -0.633 1
1 259 . 20 1 1 A 26 26 ALA CA C 26 53.323 54.756 -1.433 1
1 260 . 20 1 1 A 26 26 ALA CB C 26 19.548 18.289 1.259 1
1 261 . 20 1 1 A 26 26 ALA N N 26 126.202 128.212 -2.010 1
1 262 . 20 1 1 A 27 27 GLN H H 27 7.729 7.895 -0.166 1
1 263 . 20 1 1 A 27 27 GLN HA H 27 4.619 4.386 0.233 1
1 270 . 20 1 1 A 27 27 GLN C C 27 172.090 174.386 -2.296 1
1 271 . 20 1 1 A 27 27 GLN CA C 27 52.706 53.150 -0.444 1
1 272 . 20 1 1 A 27 27 GLN CB C 27 29.636 28.457 1.179 1
1 274 . 20 1 1 A 27 27 GLN N N 27 113.721 113.445 0.276 1
1 276 . 20 1 1 A 28 28 PRO HA H 28 4.485 4.503 -0.018 1
1 283 . 20 1 1 A 28 28 PRO C C 28 177.018 176.600 0.418 1
1 284 . 20 1 1 A 28 28 PRO CA C 28 62.562 62.275 0.287 1
1 285 . 20 1 1 A 28 28 PRO CB C 28 31.813 32.226 -0.413 1
1 288 . 20 1 1 A 29 29 SER H H 29 9.097 8.263 0.834 1
1 289 . 20 1 1 A 29 29 SER HA H 29 4.398 4.551 -0.153 1
1 292 . 20 1 1 A 29 29 SER C C 29 174.372 175.441 -1.069 1
1 293 . 20 1 1 A 29 29 SER CA C 29 56.986 56.992 -0.006 1
1 294 . 20 1 1 A 29 29 SER CB C 29 65.661 65.737 -0.076 1
1 295 . 20 1 1 A 29 29 SER N N 29 118.156 114.939 3.217 1
1 296 . 20 1 1 A 30 30 ALA H H 30 8.916 8.860 0.056 1
1 297 . 20 1 1 A 30 30 ALA HA H 30 3.965 4.026 -0.061 1
1 301 . 20 1 1 A 30 30 ALA C C 30 180.732 179.855 0.877 1
1 302 . 20 1 1 A 30 30 ALA CA C 30 56.044 55.473 0.571 1
1 303 . 20 1 1 A 30 30 ALA CB C 30 17.925 18.486 -0.561 1
1 304 . 20 1 1 A 30 30 ALA N N 30 123.162 123.546 -0.384 1
1 305 . 20 1 1 A 31 31 GLU H H 31 8.591 8.124 0.467 1
1 306 . 20 1 1 A 31 31 GLU HA H 31 4.011 3.998 0.013 1
1 310 . 20 1 1 A 31 31 GLU C C 31 179.519 179.310 0.209 1
1 311 . 20 1 1 A 31 31 GLU CA C 31 59.788 59.621 0.167 1
1 312 . 20 1 1 A 31 31 GLU CB C 31 29.349 29.305 0.044 1
1 314 . 20 1 1 A 31 31 GLU N N 31 118.280 118.010 0.270 1
1 315 . 20 1 1 A 32 32 GLU H H 32 7.702 7.855 -0.153 1
1 316 . 20 1 1 A 32 32 GLU HA H 32 3.844 4.152 -0.308 1
1 320 . 20 1 1 A 32 32 GLU C C 32 179.446 178.896 0.550 1
1 321 . 20 1 1 A 32 32 GLU CA C 32 59.408 58.954 0.454 1
1 322 . 20 1 1 A 32 32 GLU CB C 32 29.829 29.878 -0.049 1
1 324 . 20 1 1 A 32 32 GLU N N 32 121.025 120.450 0.575 1
1 325 . 20 1 1 A 33 33 LEU H H 33 8.679 8.487 0.192 1
1 326 . 20 1 1 A 33 33 LEU HA H 33 3.645 3.879 -0.234 1
1 336 . 20 1 1 A 33 33 LEU C C 33 178.378 178.990 -0.612 1
1 337 . 20 1 1 A 33 33 LEU CA C 33 58.218 57.903 0.315 1
1 338 . 20 1 1 A 33 33 LEU CB C 33 42.339 41.687 0.652 1
1 342 . 20 1 1 A 33 33 LEU N N 33 119.993 121.218 -1.225 1
1 343 . 20 1 1 A 34 34 SER H H 34 7.727 8.051 -0.324 1
1 344 . 20 1 1 A 34 34 SER HA H 34 4.116 4.049 0.067 1
1 347 . 20 1 1 A 34 34 SER C C 34 176.484 176.926 -0.442 1
1 348 . 20 1 1 A 34 34 SER CA C 34 62.063 61.654 0.409 1
1 349 . 20 1 1 A 34 34 SER CB C 34 62.725 62.938 -0.213 1
1 350 . 20 1 1 A 34 34 SER N N 34 113.341 113.178 0.163 1
1 351 . 20 1 1 A 35 35 LYS H H 35 7.525 8.043 -0.518 1
1 352 . 20 1 1 A 35 35 LYS HA H 35 4.122 3.959 0.163 1
1 361 . 20 1 1 A 35 35 LYS C C 35 180.368 178.734 1.634 1
1 362 . 20 1 1 A 35 35 LYS CA C 35 59.502 59.964 -0.462 1
1 363 . 20 1 1 A 35 35 LYS CB C 35 32.414 32.545 -0.131 1
1 367 . 20 1 1 A 35 35 LYS N N 35 120.812 121.095 -0.283 1
1 368 . 20 1 1 A 36 36 ILE H H 36 8.219 8.271 -0.052 1
1 369 . 20 1 1 A 36 36 ILE HA H 36 3.280 3.608 -0.328 1
1 379 . 20 1 1 A 36 36 ILE C C 36 178.159 178.005 0.154 1
1 380 . 20 1 1 A 36 36 ILE CA C 36 65.794 64.954 0.840 1
1 381 . 20 1 1 A 36 36 ILE CB C 36 38.008 37.039 0.969 1
1 385 . 20 1 1 A 36 36 ILE N N 36 122.240 119.509 2.731 1
1 386 . 20 1 1 A 37 37 ALA H H 37 8.438 7.955 0.483 1
1 387 . 20 1 1 A 37 37 ALA HA H 37 3.862 4.087 -0.225 1
1 391 . 20 1 1 A 37 37 ALA C C 37 179.276 180.270 -0.994 1
1 392 . 20 1 1 A 37 37 ALA CA C 37 56.223 54.985 1.238 1
1 393 . 20 1 1 A 37 37 ALA CB C 37 17.186 18.151 -0.965 1
1 394 . 20 1 1 A 37 37 ALA N N 37 122.058 122.251 -0.193 1
1 395 . 20 1 1 A 38 38 ASP H H 38 8.072 8.405 -0.333 1
1 396 . 20 1 1 A 38 38 ASP HA H 38 4.495 4.364 0.131 1
1 399 . 20 1 1 A 38 38 ASP C C 38 178.984 178.040 0.944 1
1 400 . 20 1 1 A 38 38 ASP CA C 38 56.857 56.657 0.200 1
1 401 . 20 1 1 A 38 38 ASP CB C 38 40.813 41.163 -0.350 1
1 402 . 20 1 1 A 38 38 ASP N N 38 115.894 119.303 -3.409 1
1 403 . 20 1 1 A 39 39 SER H H 39 7.954 7.701 0.253 1
1 404 . 20 1 1 A 39 39 SER HA H 39 4.247 4.264 -0.017 1
1 406 . 20 1 1 A 39 39 SER C C 39 175.610 175.989 -0.379 1
1 407 . 20 1 1 A 39 39 SER CA C 39 61.580 61.425 0.155 1
1 408 . 20 1 1 A 39 39 SER CB C 39 63.373 62.883 0.490 1
1 409 . 20 1 1 A 39 39 SER N N 39 114.432 114.236 0.196 1
1 410 . 20 1 1 A 40 40 VAL H H 40 7.850 7.556 0.294 1
1 411 . 20 1 1 A 40 40 VAL HA H 40 4.456 4.245 0.211 1
1 419 . 20 1 1 A 40 40 VAL C C 40 174.445 174.719 -0.274 1
1 420 . 20 1 1 A 40 40 VAL CA C 40 60.913 61.307 -0.394 1
1 421 . 20 1 1 A 40 40 VAL CB C 40 31.778 31.201 0.577 1
1 424 . 20 1 1 A 40 40 VAL N N 40 111.349 116.760 -5.411 1
1 425 . 20 1 1 A 41 41 ASN H H 41 7.804 8.045 -0.241 1
1 426 . 20 1 1 A 41 41 ASN HA H 41 4.348 4.336 0.012 1
1 431 . 20 1 1 A 41 41 ASN C C 41 174.008 173.760 0.248 1
1 432 . 20 1 1 A 41 41 ASN CA C 41 54.066 54.480 -0.414 1
1 433 . 20 1 1 A 41 41 ASN CB C 41 37.225 36.939 0.286 1
1 434 . 20 1 1 A 41 41 ASN N N 41 117.410 115.409 2.001 1
1 436 . 20 1 1 A 42 42 LEU H H 42 7.904 7.893 0.011 1
1 437 . 20 1 1 A 42 42 LEU HA H 42 5.001 4.802 0.199 1
1 447 . 20 1 1 A 42 42 LEU C C 42 173.886 174.490 -0.604 1
1 448 . 20 1 1 A 42 42 LEU CA C 42 51.484 51.645 -0.161 1
1 449 . 20 1 1 A 42 42 LEU CB C 42 45.928 43.770 2.158 1
1 453 . 20 1 1 A 42 42 LEU N N 42 117.347 119.298 -1.951 1
1 454 . 20 1 1 A 43 43 PRO HA H 43 4.423 4.554 -0.131 1
1 461 . 20 1 1 A 43 43 PRO C C 43 178.013 176.653 1.360 1
1 462 . 20 1 1 A 43 43 PRO CA C 43 62.234 62.283 -0.049 1
1 463 . 20 1 1 A 43 43 PRO CB C 43 32.616 33.520 -0.904 1
1 466 . 20 1 1 A 44 44 LEU H H 44 8.758 8.868 -0.110 1
1 467 . 20 1 1 A 44 44 LEU HA H 44 3.780 4.211 -0.431 1
1 477 . 20 1 1 A 44 44 LEU C C 44 178.208 178.170 0.038 1
1 478 . 20 1 1 A 44 44 LEU CA C 44 58.592 56.993 1.599 1
1 479 . 20 1 1 A 44 44 LEU CB C 44 41.747 41.737 0.010 1
1 483 . 20 1 1 A 44 44 LEU N N 44 125.847 122.287 3.560 1
1 484 . 20 1 1 A 45 45 ASP H H 45 8.822 8.198 0.624 1
1 485 . 20 1 1 A 45 45 ASP HA H 45 4.270 4.391 -0.121 1
1 488 . 20 1 1 A 45 45 ASP C C 45 178.523 178.307 0.216 1
1 489 . 20 1 1 A 45 45 ASP CA C 45 57.621 57.060 0.561 1
1 490 . 20 1 1 A 45 45 ASP CB C 45 40.612 40.362 0.250 1
1 491 . 20 1 1 A 45 45 ASP N N 45 114.687 118.402 -3.715 1
1 492 . 20 1 1 A 46 46 VAL H H 46 7.098 7.998 -0.900 1
1 493 . 20 1 1 A 46 46 VAL HA H 46 3.707 3.608 0.099 1
1 501 . 20 1 1 A 46 46 VAL C C 46 178.353 178.700 -0.347 1
1 502 . 20 1 1 A 46 46 VAL CA C 46 65.770 66.635 -0.865 1
1 503 . 20 1 1 A 46 46 VAL CB C 46 32.179 31.631 0.548 1
1 506 . 20 1 1 A 46 46 VAL N N 46 118.849 119.893 -1.044 1
1 507 . 20 1 1 A 47 47 VAL H H 47 7.429 7.812 -0.383 1
1 508 . 20 1 1 A 47 47 VAL HA H 47 3.633 3.603 0.030 1
1 516 . 20 1 1 A 47 47 VAL C C 47 177.698 178.395 -0.697 1
1 517 . 20 1 1 A 47 47 VAL CA C 47 67.413 66.646 0.767 1
1 518 . 20 1 1 A 47 47 VAL CB C 47 32.258 31.602 0.656 1
1 521 . 20 1 1 A 47 47 VAL N N 47 120.616 120.449 0.167 1
1 522 . 20 1 1 A 48 48 LYS H H 48 9.110 7.808 1.302 1
1 523 . 20 1 1 A 48 48 LYS HA H 48 4.005 4.087 -0.082 1
1 531 . 20 1 1 A 48 48 LYS C C 48 178.717 179.203 -0.486 1
1 532 . 20 1 1 A 48 48 LYS CA C 48 60.749 60.521 0.228 1
1 533 . 20 1 1 A 48 48 LYS CB C 48 33.140 32.569 0.571 1
1 537 . 20 1 1 A 48 48 LYS N N 48 119.748 119.046 0.702 1
1 538 . 20 1 1 A 49 49 LYS H H 49 7.901 8.172 -0.271 1
1 539 . 20 1 1 A 49 49 LYS HA H 49 4.116 4.026 0.090 1
1 547 . 20 1 1 A 49 49 LYS C C 49 178.863 178.713 0.150 1
1 548 . 20 1 1 A 49 49 LYS CA C 49 59.087 59.576 -0.489 1
1 549 . 20 1 1 A 49 49 LYS CB C 49 32.085 32.257 -0.172 1
1 553 . 20 1 1 A 49 49 LYS N N 49 117.787 119.219 -1.432 1
1 554 . 20 1 1 A 50 50 TRP H H 50 8.060 7.956 0.104 1
1 555 . 20 1 1 A 50 50 TRP HA H 50 4.089 4.206 -0.117 1
1 564 . 20 1 1 A 50 50 TRP C C 50 178.547 178.031 0.516 1
1 565 . 20 1 1 A 50 50 TRP CA C 50 62.575 60.679 1.896 1
1 566 . 20 1 1 A 50 50 TRP CB C 50 28.755 29.610 -0.855 1
1 572 . 20 1 1 A 50 50 TRP N N 50 121.102 121.235 -0.133 1
1 574 . 20 1 1 A 51 51 PHE H H 51 8.695 8.319 0.376 1
1 575 . 20 1 1 A 51 51 PHE HA H 51 3.750 4.312 -0.562 1
1 583 . 20 1 1 A 51 51 PHE C C 51 178.620 178.436 0.184 1
1 584 . 20 1 1 A 51 51 PHE CA C 51 63.542 62.082 1.460 1
1 585 . 20 1 1 A 51 51 PHE CB C 51 39.112 38.937 0.175 1
1 591 . 20 1 1 A 51 51 PHE N N 51 118.773 118.143 0.630 1
1 592 . 20 1 1 A 52 52 GLU H H 52 8.399 8.461 -0.062 1
1 593 . 20 1 1 A 52 52 GLU HA H 52 4.077 4.013 0.064 1
1 598 . 20 1 1 A 52 52 GLU C C 52 179.834 179.439 0.395 1
1 599 . 20 1 1 A 52 52 GLU CA C 52 59.657 60.088 -0.431 1
1 600 . 20 1 1 A 52 52 GLU CB C 52 29.561 29.176 0.385 1
1 602 . 20 1 1 A 52 52 GLU N N 52 118.518 118.314 0.204 1
1 603 . 20 1 1 A 53 53 LYS H H 53 7.957 8.064 -0.107 1
1 604 . 20 1 1 A 53 53 LYS HA H 53 3.981 4.034 -0.053 1
1 612 . 20 1 1 A 53 53 LYS C C 53 179.349 178.631 0.718 1
1 613 . 20 1 1 A 53 53 LYS CA C 53 59.087 59.063 0.024 1
1 614 . 20 1 1 A 53 53 LYS CB C 53 32.091 32.240 -0.149 1
1 618 . 20 1 1 A 53 53 LYS N N 53 120.286 119.879 0.407 1
1 619 . 20 1 1 A 54 54 MET H H 54 7.762 7.959 -0.197 1
1 620 . 20 1 1 A 54 54 MET HA H 54 3.853 3.844 0.009 1
1 626 . 20 1 1 A 54 54 MET C C 54 179.349 177.950 1.399 1
1 627 . 20 1 1 A 54 54 MET CA C 54 57.071 57.772 -0.701 1
1 628 . 20 1 1 A 54 54 MET CB C 54 31.158 31.517 -0.359 1
1 631 . 20 1 1 A 54 54 MET N N 54 119.874 118.664 1.210 1
1 632 . 20 1 1 A 55 55 GLN H H 55 8.284 8.229 0.055 1
1 633 . 20 1 1 A 55 55 GLN HA H 55 4.172 4.197 -0.025 1
1 640 . 20 1 1 A 55 55 GLN C C 55 178.013 177.972 0.041 1
1 641 . 20 1 1 A 55 55 GLN CA C 55 57.906 58.637 -0.731 1
1 642 . 20 1 1 A 55 55 GLN CB C 55 28.308 28.447 -0.139 1
1 644 . 20 1 1 A 55 55 GLN N N 55 119.171 118.102 1.069 1
1 646 . 20 1 1 A 56 56 ALA H H 56 7.665 7.436 0.229 1
1 647 . 20 1 1 A 56 56 ALA HA H 56 4.289 4.305 -0.016 1
1 651 . 20 1 1 A 56 56 ALA C C 56 178.572 177.806 0.766 1
1 652 . 20 1 1 A 56 56 ALA CA C 56 53.041 52.320 0.721 1
1 653 . 20 1 1 A 56 56 ALA CB C 56 18.784 19.569 -0.785 1
1 654 . 20 1 1 A 56 56 ALA N N 56 120.252 119.247 1.005 1
1 655 . 20 1 1 A 57 57 GLY H H 57 7.802 7.403 0.399 1
1 656 . 20 1 1 A 57 57 GLY HA2 H 57 3.945 3.917 0.028 1
1 657 . 20 1 1 A 57 57 GLY HA3 H 57 3.945 3.941 0.004 1
1 658 . 20 1 1 A 57 57 GLY C C 57 174.809 175.072 -0.263 1
1 659 . 20 1 1 A 57 57 GLY CA C 57 45.748 45.392 0.356 1
1 660 . 20 1 1 A 57 57 GLY N N 57 106.361 105.977 0.384 1
1 661 . 20 1 1 A 58 58 GLN H H 58 7.961 8.244 -0.283 1
1 662 . 20 1 1 A 58 58 GLN HA H 58 4.280 4.228 0.052 1
1 669 . 20 1 1 A 58 58 GLN C C 58 175.877 176.229 -0.352 1
1 670 . 20 1 1 A 58 58 GLN CA C 58 55.890 57.213 -1.323 1
1 671 . 20 1 1 A 58 58 GLN CB C 58 29.211 29.856 -0.645 1
1 673 . 20 1 1 A 58 58 GLN N N 58 118.690 117.254 1.436 1
1 675 . 20 1 1 A 59 59 ILE H H 59 7.828 7.345 0.483 1
1 676 . 20 1 1 A 59 59 ILE HA H 59 4.178 3.875 0.303 1
1 686 . 20 1 1 A 59 59 ILE C C 59 175.950 174.980 0.970 1
1 687 . 20 1 1 A 59 59 ILE CA C 59 60.796 62.406 -1.610 1
1 688 . 20 1 1 A 59 59 ILE CB C 59 38.884 37.564 1.320 1
1 692 . 20 1 1 A 59 59 ILE N N 59 119.986 121.093 -1.107 1
1 693 . 20 1 1 A 60 60 SER H H 60 8.358 8.292 0.066 1
1 694 . 20 1 1 A 60 60 SER HA H 60 4.485 5.000 -0.515 1
1 697 . 20 1 1 A 60 60 SER C C 60 174.542 174.267 0.275 1
1 698 . 20 1 1 A 60 60 SER CA C 60 58.000 56.151 1.849 1
1 699 . 20 1 1 A 60 60 SER CB C 60 63.869 66.447 -2.578 1
1 700 . 20 1 1 A 60 60 SER N N 60 119.848 120.104 -0.256 1
1 701 . 20 1 1 A 61 61 VAL H H 61 8.223 8.870 -0.647 1
1 702 . 20 1 1 A 61 61 VAL HA H 61 4.132 4.261 -0.129 1
1 710 . 20 1 1 A 61 61 VAL C C 61 176.023 176.026 -0.003 1
1 711 . 20 1 1 A 61 61 VAL CA C 61 62.254 62.797 -0.543 1
1 712 . 20 1 1 A 61 61 VAL CB C 61 32.702 34.938 -2.236 1
1 715 . 20 1 1 A 61 61 VAL N N 61 121.796 122.343 -0.547 1
1 716 . 20 1 1 A 62 62 GLN H H 62 8.405 7.758 0.647 1
1 717 . 20 1 1 A 62 62 GLN HA H 62 4.389 4.561 -0.172 1
1 724 . 20 1 1 A 62 62 GLN C C 62 175.901 174.628 1.273 1
1 725 . 20 1 1 A 62 62 GLN CA C 62 55.792 54.684 1.108 1
1 726 . 20 1 1 A 62 62 GLN CB C 62 29.530 29.703 -0.173 1
1 728 . 20 1 1 A 62 62 GLN N N 62 123.728 121.162 2.566 1
1 730 . 20 1 1 A 63 63 SER H H 63 8.396 7.590 0.806 1
1 731 . 20 1 1 A 63 63 SER HA H 63 4.482 4.325 0.157 1
1 734 . 20 1 1 A 63 63 SER C C 63 173.668 175.338 -1.670 1
1 735 . 20 1 1 A 63 63 SER CA C 63 58.445 58.650 -0.205 1
1 736 . 20 1 1 A 63 63 SER CB C 63 63.964 63.524 0.440 1
1 737 . 20 1 1 A 63 63 SER N N 63 118.100 117.906 0.194 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 57 0.887 1
2 1 1 1 "RMS(OBS, PRED)" CA 57 1.121 1
3 1 1 1 "RMS(OBS, PRED)" CB 56 0.908 1
4 1 1 1 "RMS(OBS, PRED)" H 52 0.476 1
5 1 1 1 "RMS(OBS, PRED)" HA 60 0.212 1
6 1 1 1 "RMS(OBS, PRED)" N 52 2.532 1
7 1 2 1 "RMS(OBS, PRED)" C 57 0.912 1
8 1 2 1 "RMS(OBS, PRED)" CA 57 0.993 1
9 1 2 1 "RMS(OBS, PRED)" CB 56 0.974 1
10 1 2 1 "RMS(OBS, PRED)" H 52 0.435 1
11 1 2 1 "RMS(OBS, PRED)" HA 60 0.256 1
12 1 2 1 "RMS(OBS, PRED)" N 52 2.003 1
13 1 3 1 "RMS(OBS, PRED)" C 57 0.903 1
14 1 3 1 "RMS(OBS, PRED)" CA 57 0.915 1
15 1 3 1 "RMS(OBS, PRED)" CB 56 0.991 1
16 1 3 1 "RMS(OBS, PRED)" H 52 0.413 1
17 1 3 1 "RMS(OBS, PRED)" HA 60 0.237 1
18 1 3 1 "RMS(OBS, PRED)" N 52 1.828 1
19 1 4 1 "RMS(OBS, PRED)" C 57 0.858 1
20 1 4 1 "RMS(OBS, PRED)" CA 57 1.083 1
21 1 4 1 "RMS(OBS, PRED)" CB 56 0.913 1
22 1 4 1 "RMS(OBS, PRED)" H 52 0.466 1
23 1 4 1 "RMS(OBS, PRED)" HA 60 0.205 1
24 1 4 1 "RMS(OBS, PRED)" N 52 2.094 1
25 1 5 1 "RMS(OBS, PRED)" C 57 0.965 1
26 1 5 1 "RMS(OBS, PRED)" CA 57 1.045 1
27 1 5 1 "RMS(OBS, PRED)" CB 56 1.180 1
28 1 5 1 "RMS(OBS, PRED)" H 52 0.451 1
29 1 5 1 "RMS(OBS, PRED)" HA 60 0.257 1
30 1 5 1 "RMS(OBS, PRED)" N 52 1.861 1
31 1 6 1 "RMS(OBS, PRED)" C 57 0.869 1
32 1 6 1 "RMS(OBS, PRED)" CA 57 1.110 1
33 1 6 1 "RMS(OBS, PRED)" CB 56 0.824 1
34 1 6 1 "RMS(OBS, PRED)" H 52 0.508 1
35 1 6 1 "RMS(OBS, PRED)" HA 60 0.200 1
36 1 6 1 "RMS(OBS, PRED)" N 52 2.218 1
37 1 7 1 "RMS(OBS, PRED)" C 57 0.916 1
38 1 7 1 "RMS(OBS, PRED)" CA 57 1.066 1
39 1 7 1 "RMS(OBS, PRED)" CB 56 1.049 1
40 1 7 1 "RMS(OBS, PRED)" H 52 0.446 1
41 1 7 1 "RMS(OBS, PRED)" HA 60 0.237 1
42 1 7 1 "RMS(OBS, PRED)" N 52 1.978 1
43 1 8 1 "RMS(OBS, PRED)" C 57 0.910 1
44 1 8 1 "RMS(OBS, PRED)" CA 57 0.908 1
45 1 8 1 "RMS(OBS, PRED)" CB 56 1.116 1
46 1 8 1 "RMS(OBS, PRED)" H 52 0.429 1
47 1 8 1 "RMS(OBS, PRED)" HA 60 0.234 1
48 1 8 1 "RMS(OBS, PRED)" N 52 2.086 1
49 1 9 1 "RMS(OBS, PRED)" C 57 0.873 1
50 1 9 1 "RMS(OBS, PRED)" CA 57 1.062 1
51 1 9 1 "RMS(OBS, PRED)" CB 56 1.000 1
52 1 9 1 "RMS(OBS, PRED)" H 52 0.456 1
53 1 9 1 "RMS(OBS, PRED)" HA 60 0.212 1
54 1 9 1 "RMS(OBS, PRED)" N 52 2.137 1
55 1 10 1 "RMS(OBS, PRED)" C 57 0.917 1
56 1 10 1 "RMS(OBS, PRED)" CA 57 1.075 1
57 1 10 1 "RMS(OBS, PRED)" CB 56 0.894 1
58 1 10 1 "RMS(OBS, PRED)" H 52 0.491 1
59 1 10 1 "RMS(OBS, PRED)" HA 60 0.274 1
60 1 10 1 "RMS(OBS, PRED)" N 52 2.027 1
61 1 11 1 "RMS(OBS, PRED)" C 57 0.980 1
62 1 11 1 "RMS(OBS, PRED)" CA 57 1.175 1
63 1 11 1 "RMS(OBS, PRED)" CB 56 0.879 1
64 1 11 1 "RMS(OBS, PRED)" H 52 0.496 1
65 1 11 1 "RMS(OBS, PRED)" HA 60 0.217 1
66 1 11 1 "RMS(OBS, PRED)" N 52 2.151 1
67 1 12 1 "RMS(OBS, PRED)" C 57 0.912 1
68 1 12 1 "RMS(OBS, PRED)" CA 57 1.047 1
69 1 12 1 "RMS(OBS, PRED)" CB 56 1.045 1
70 1 12 1 "RMS(OBS, PRED)" H 52 0.384 1
71 1 12 1 "RMS(OBS, PRED)" HA 60 0.273 1
72 1 12 1 "RMS(OBS, PRED)" N 52 2.365 1
73 1 13 1 "RMS(OBS, PRED)" C 57 0.910 1
74 1 13 1 "RMS(OBS, PRED)" CA 57 1.204 1
75 1 13 1 "RMS(OBS, PRED)" CB 56 0.835 1
76 1 13 1 "RMS(OBS, PRED)" H 52 0.446 1
77 1 13 1 "RMS(OBS, PRED)" HA 60 0.207 1
78 1 13 1 "RMS(OBS, PRED)" N 52 2.274 1
79 1 14 1 "RMS(OBS, PRED)" C 57 0.994 1
80 1 14 1 "RMS(OBS, PRED)" CA 57 1.056 1
81 1 14 1 "RMS(OBS, PRED)" CB 56 0.967 1
82 1 14 1 "RMS(OBS, PRED)" H 52 0.437 1
83 1 14 1 "RMS(OBS, PRED)" HA 60 0.233 1
84 1 14 1 "RMS(OBS, PRED)" N 52 2.013 1
85 1 15 1 "RMS(OBS, PRED)" C 57 0.869 1
86 1 15 1 "RMS(OBS, PRED)" CA 57 1.107 1
87 1 15 1 "RMS(OBS, PRED)" CB 56 0.886 1
88 1 15 1 "RMS(OBS, PRED)" H 52 0.453 1
89 1 15 1 "RMS(OBS, PRED)" HA 60 0.283 1
90 1 15 1 "RMS(OBS, PRED)" N 52 2.052 1
91 1 16 1 "RMS(OBS, PRED)" C 57 0.898 1
92 1 16 1 "RMS(OBS, PRED)" CA 57 0.985 1
93 1 16 1 "RMS(OBS, PRED)" CB 56 1.077 1
94 1 16 1 "RMS(OBS, PRED)" H 52 0.457 1
95 1 16 1 "RMS(OBS, PRED)" HA 60 0.252 1
96 1 16 1 "RMS(OBS, PRED)" N 52 1.950 1
97 1 17 1 "RMS(OBS, PRED)" C 57 0.860 1
98 1 17 1 "RMS(OBS, PRED)" CA 57 1.031 1
99 1 17 1 "RMS(OBS, PRED)" CB 56 0.936 1
100 1 17 1 "RMS(OBS, PRED)" H 52 0.443 1
101 1 17 1 "RMS(OBS, PRED)" HA 60 0.248 1
102 1 17 1 "RMS(OBS, PRED)" N 52 2.075 1
103 1 18 1 "RMS(OBS, PRED)" C 57 0.754 1
104 1 18 1 "RMS(OBS, PRED)" CA 57 0.998 1
105 1 18 1 "RMS(OBS, PRED)" CB 56 1.041 1
106 1 18 1 "RMS(OBS, PRED)" H 52 0.446 1
107 1 18 1 "RMS(OBS, PRED)" HA 60 0.216 1
108 1 18 1 "RMS(OBS, PRED)" N 52 2.155 1
109 1 19 1 "RMS(OBS, PRED)" C 57 0.907 1
110 1 19 1 "RMS(OBS, PRED)" CA 57 1.010 1
111 1 19 1 "RMS(OBS, PRED)" CB 56 1.036 1
112 1 19 1 "RMS(OBS, PRED)" H 52 0.458 1
113 1 19 1 "RMS(OBS, PRED)" HA 60 0.218 1
114 1 19 1 "RMS(OBS, PRED)" N 52 2.309 1
115 1 20 1 "RMS(OBS, PRED)" C 57 0.880 1
116 1 20 1 "RMS(OBS, PRED)" CA 57 0.962 1
117 1 20 1 "RMS(OBS, PRED)" CB 56 0.973 1
118 1 20 1 "RMS(OBS, PRED)" H 52 0.436 1
119 1 20 1 "RMS(OBS, PRED)" HA 60 0.230 1
120 1 20 1 "RMS(OBS, PRED)" N 52 1.880 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 HA H 6 4.502 4.615 -0.113 2
1 4 . 1 1 A 6 6 SER C C 6 175.076 174.446 0.630 2
1 5 . 1 1 A 6 6 SER CA C 6 58.733 58.542 0.191 2
1 6 . 1 1 A 6 6 SER CB C 6 63.809 64.448 -0.639 2
1 7 . 1 1 A 7 7 GLY H H 7 8.416 8.531 -0.115 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.966 4.033 -0.067 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.966 4.033 -0.067 2
1 10 . 1 1 A 7 7 GLY C C 7 173.813 173.774 0.039 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.226 45.821 -0.595 2
1 12 . 1 1 A 7 7 GLY N N 7 110.646 112.210 -1.564 2
1 13 . 1 1 A 8 8 GLN H H 8 8.187 8.180 0.007 2
1 14 . 1 1 A 8 8 GLN HA H 8 4.656 4.603 0.053 2
1 21 . 1 1 A 8 8 GLN C C 8 173.741 174.231 -0.490 2
1 22 . 1 1 A 8 8 GLN CA C 8 53.677 53.771 -0.094 2
1 23 . 1 1 A 8 8 GLN CB C 8 29.079 29.428 -0.349 2
1 25 . 1 1 A 8 8 GLN N N 8 120.767 121.287 -0.520 2
1 27 . 1 1 A 9 9 PRO HA H 9 4.723 4.670 0.053 2
1 34 . 1 1 A 9 9 PRO CB C 9 27.766 31.495 -3.729 2
1 37 . 1 1 A 10 10 PRO HA H 10 4.444 4.580 -0.136 2
1 43 . 1 1 A 10 10 PRO C C 10 177.309 176.452 0.857 2
1 44 . 1 1 A 10 10 PRO CA C 10 63.083 62.214 0.869 2
1 45 . 1 1 A 10 10 PRO CB C 10 31.881 32.753 -0.872 2
1 48 . 1 1 A 11 11 LEU H H 11 8.323 8.362 -0.039 2
1 49 . 1 1 A 11 11 LEU HA H 11 4.105 4.350 -0.245 2
1 59 . 1 1 A 11 11 LEU C C 11 178.232 178.031 0.201 2
1 60 . 1 1 A 11 11 LEU CA C 11 56.572 54.850 1.722 2
1 61 . 1 1 A 11 11 LEU CB C 11 42.000 43.162 -1.162 2
1 64 . 1 1 A 11 11 LEU N N 11 122.449 122.070 0.379 2
1 65 . 1 1 A 12 12 LYS H H 12 8.319 8.716 -0.397 2
1 66 . 1 1 A 12 12 LYS HA H 12 3.986 4.055 -0.069 2
1 73 . 1 1 A 12 12 LYS C C 12 177.722 178.344 -0.622 2
1 74 . 1 1 A 12 12 LYS CA C 12 58.842 59.078 -0.236 2
1 75 . 1 1 A 12 12 LYS CB C 12 32.388 32.137 0.251 2
1 79 . 1 1 A 12 12 LYS N N 12 118.575 122.612 -4.037 2
1 80 . 1 1 A 13 13 ASN H H 13 8.076 8.316 -0.240 2
1 81 . 1 1 A 13 13 ASN HA H 13 4.597 4.460 0.137 2
1 86 . 1 1 A 13 13 ASN C C 13 176.702 177.783 -1.081 2
1 87 . 1 1 A 13 13 ASN CA C 13 54.525 56.300 -1.774 2
1 88 . 1 1 A 13 13 ASN CB C 13 38.035 38.072 -0.037 2
1 89 . 1 1 A 13 13 ASN N N 13 117.381 118.169 -0.788 2
1 91 . 1 1 A 14 14 LEU H H 14 7.948 8.099 -0.151 2
1 92 . 1 1 A 14 14 LEU HA H 14 4.099 3.954 0.145 2
1 102 . 1 1 A 14 14 LEU C C 14 177.868 178.419 -0.551 2
1 103 . 1 1 A 14 14 LEU CA C 14 56.861 58.339 -1.478 2
1 104 . 1 1 A 14 14 LEU CB C 14 42.012 41.741 0.271 2
1 108 . 1 1 A 14 14 LEU N N 14 121.775 120.840 0.935 2
1 109 . 1 1 A 15 15 LEU H H 15 7.996 7.991 0.005 2
1 110 . 1 1 A 15 15 LEU HA H 15 3.705 3.777 -0.072 2
1 120 . 1 1 A 15 15 LEU C C 15 178.887 178.837 0.050 2
1 121 . 1 1 A 15 15 LEU CA C 15 58.201 57.749 0.452 2
1 122 . 1 1 A 15 15 LEU CB C 15 41.067 41.622 -0.555 2
1 126 . 1 1 A 15 15 LEU N N 15 119.072 118.584 0.488 2
1 127 . 1 1 A 16 16 SER H H 16 7.968 8.053 -0.085 2
1 128 . 1 1 A 16 16 SER HA H 16 4.064 4.141 -0.077 2
1 131 . 1 1 A 16 16 SER C C 16 176.897 176.704 0.193 2
1 132 . 1 1 A 16 16 SER CA C 16 61.915 61.928 -0.013 2
1 133 . 1 1 A 16 16 SER CB C 16 62.496 62.860 -0.364 2
1 134 . 1 1 A 16 16 SER N N 16 113.400 114.799 -1.399 2
1 135 . 1 1 A 17 17 LEU H H 17 7.487 8.140 -0.653 2
1 136 . 1 1 A 17 17 LEU HA H 17 3.980 3.911 0.069 2
1 140 . 1 1 A 17 17 LEU C C 17 178.547 179.084 -0.538 2
1 141 . 1 1 A 17 17 LEU CA C 17 58.205 57.935 0.270 2
1 142 . 1 1 A 17 17 LEU CB C 17 41.973 41.683 0.290 2
1 143 . 1 1 A 17 17 LEU N N 17 122.840 121.442 1.398 2
1 144 . 1 1 A 18 18 LEU H H 18 7.950 7.742 0.208 2
1 145 . 1 1 A 18 18 LEU HA H 18 3.982 3.878 0.104 2
1 154 . 1 1 A 18 18 LEU C C 18 178.645 178.748 -0.103 2
1 155 . 1 1 A 18 18 LEU CA C 18 58.203 57.730 0.473 2
1 156 . 1 1 A 18 18 LEU CB C 18 38.932 40.772 -1.840 2
1 160 . 1 1 A 18 18 LEU N N 18 118.407 118.416 -0.009 2
1 161 . 1 1 A 19 19 LYS H H 19 8.352 7.945 0.407 2
1 162 . 1 1 A 19 19 LYS HA H 19 4.051 4.086 -0.035 2
1 169 . 1 1 A 19 19 LYS C C 19 178.960 178.923 0.037 2
1 170 . 1 1 A 19 19 LYS CA C 19 60.537 59.739 0.798 2
1 171 . 1 1 A 19 19 LYS CB C 19 32.332 32.352 -0.020 2
1 175 . 1 1 A 19 19 LYS N N 19 118.242 118.081 0.161 2
1 176 . 1 1 A 20 20 ALA H H 20 7.717 7.915 -0.198 2
1 177 . 1 1 A 20 20 ALA HA H 20 4.202 4.051 0.151 2
1 181 . 1 1 A 20 20 ALA C C 20 180.732 179.464 1.268 2
1 182 . 1 1 A 20 20 ALA CA C 20 54.879 55.126 -0.247 2
1 183 . 1 1 A 20 20 ALA CB C 20 17.608 18.444 -0.836 2
1 184 . 1 1 A 20 20 ALA N N 20 122.505 121.748 0.757 2
1 185 . 1 1 A 21 21 TYR HA H 21 4.236 4.351 -0.115 2
1 192 . 1 1 A 21 21 TYR C C 21 178.839 178.337 0.502 2
1 193 . 1 1 A 21 21 TYR CA C 21 63.047 61.071 1.976 2
1 194 . 1 1 A 21 21 TYR CB C 21 38.388 38.351 0.037 2
1 199 . 1 1 A 22 22 TYR H H 22 8.857 8.095 0.762 2
1 200 . 1 1 A 22 22 TYR HA H 22 4.305 4.839 -0.534 2
1 207 . 1 1 A 22 22 TYR C C 22 176.338 177.508 -1.170 2
1 208 . 1 1 A 22 22 TYR CA C 22 61.389 62.031 -0.642 2
1 209 . 1 1 A 22 22 TYR CB C 22 38.790 39.078 -0.288 2
1 214 . 1 1 A 22 22 TYR N N 22 122.639 120.316 2.323 2
1 215 . 1 1 A 23 23 ALA H H 23 7.762 8.322 -0.560 2
1 216 . 1 1 A 23 23 ALA HA H 23 4.047 4.084 -0.037 2
1 220 . 1 1 A 23 23 ALA C C 23 179.179 179.515 -0.336 2
1 221 . 1 1 A 23 23 ALA CA C 23 53.906 55.227 -1.321 2
1 222 . 1 1 A 23 23 ALA CB C 23 18.328 18.571 -0.243 2
1 223 . 1 1 A 23 23 ALA N N 23 117.361 121.782 -4.421 2
1 224 . 1 1 A 24 24 LEU H H 24 7.267 7.704 -0.437 2
1 225 . 1 1 A 24 24 LEU HA H 24 4.210 4.173 0.037 2
1 235 . 1 1 A 24 24 LEU C C 24 177.673 176.547 1.126 2
1 236 . 1 1 A 24 24 LEU CA C 24 56.382 57.133 -0.752 2
1 237 . 1 1 A 24 24 LEU CB C 24 42.933 41.989 0.944 2
1 241 . 1 1 A 24 24 LEU N N 24 117.259 114.822 2.437 2
1 242 . 1 1 A 25 25 ASN H H 25 7.862 8.322 -0.460 2
1 243 . 1 1 A 25 25 ASN HA H 25 4.466 4.910 -0.444 2
1 248 . 1 1 A 25 25 ASN C C 25 173.036 175.350 -2.314 2
1 249 . 1 1 A 25 25 ASN CA C 25 53.077 51.705 1.372 2
1 250 . 1 1 A 25 25 ASN CB C 25 37.853 38.743 -0.890 2
1 251 . 1 1 A 25 25 ASN N N 25 116.521 118.155 -1.634 2
1 253 . 1 1 A 26 26 ALA H H 26 8.283 8.601 -0.318 2
1 254 . 1 1 A 26 26 ALA HA H 26 3.905 3.605 0.300 2
1 258 . 1 1 A 26 26 ALA C C 26 177.212 177.904 -0.692 2
1 259 . 1 1 A 26 26 ALA CA C 26 53.323 54.865 -1.542 2
1 260 . 1 1 A 26 26 ALA CB C 26 19.548 18.887 0.661 2
1 261 . 1 1 A 26 26 ALA N N 26 126.202 128.333 -2.131 2
1 262 . 1 1 A 27 27 GLN H H 27 7.729 7.899 -0.170 2
1 263 . 1 1 A 27 27 GLN HA H 27 4.619 4.508 0.111 2
1 270 . 1 1 A 27 27 GLN C C 27 172.090 174.216 -2.126 2
1 271 . 1 1 A 27 27 GLN CA C 27 52.706 53.073 -0.367 2
1 272 . 1 1 A 27 27 GLN CB C 27 29.636 28.589 1.047 2
1 274 . 1 1 A 27 27 GLN N N 27 113.721 113.539 0.182 2
1 276 . 1 1 A 28 28 PRO HA H 28 4.485 4.503 -0.018 2
1 283 . 1 1 A 28 28 PRO C C 28 177.018 176.588 0.430 2
1 284 . 1 1 A 28 28 PRO CA C 28 62.562 62.421 0.141 2
1 285 . 1 1 A 28 28 PRO CB C 28 31.813 32.097 -0.284 2
1 288 . 1 1 A 29 29 SER H H 29 9.097 8.286 0.811 2
1 289 . 1 1 A 29 29 SER HA H 29 4.398 4.600 -0.202 2
1 292 . 1 1 A 29 29 SER C C 29 174.372 175.524 -1.152 2
1 293 . 1 1 A 29 29 SER CA C 29 56.986 57.182 -0.196 2
1 294 . 1 1 A 29 29 SER CB C 29 65.661 65.255 0.406 2
1 295 . 1 1 A 29 29 SER N N 29 118.156 115.687 2.469 2
1 296 . 1 1 A 30 30 ALA H H 30 8.916 8.948 -0.032 2
1 297 . 1 1 A 30 30 ALA HA H 30 3.965 4.009 -0.044 2
1 301 . 1 1 A 30 30 ALA C C 30 180.732 179.932 0.800 2
1 302 . 1 1 A 30 30 ALA CA C 30 56.044 55.537 0.507 2
1 303 . 1 1 A 30 30 ALA CB C 30 17.925 18.339 -0.414 2
1 304 . 1 1 A 30 30 ALA N N 30 123.162 124.072 -0.910 2
1 305 . 1 1 A 31 31 GLU H H 31 8.591 8.146 0.445 2
1 306 . 1 1 A 31 31 GLU HA H 31 4.011 3.989 0.022 2
1 310 . 1 1 A 31 31 GLU C C 31 179.519 179.290 0.229 2
1 311 . 1 1 A 31 31 GLU CA C 31 59.788 59.550 0.238 2
1 312 . 1 1 A 31 31 GLU CB C 31 29.349 29.327 0.022 2
1 314 . 1 1 A 31 31 GLU N N 31 118.280 118.003 0.277 2
1 315 . 1 1 A 32 32 GLU H H 32 7.702 7.890 -0.188 2
1 316 . 1 1 A 32 32 GLU HA H 32 3.844 4.112 -0.268 2
1 320 . 1 1 A 32 32 GLU C C 32 179.446 178.966 0.480 2
1 321 . 1 1 A 32 32 GLU CA C 32 59.408 58.880 0.528 2
1 322 . 1 1 A 32 32 GLU CB C 32 29.829 29.954 -0.125 2
1 324 . 1 1 A 32 32 GLU N N 32 121.025 120.213 0.812 2
1 325 . 1 1 A 33 33 LEU H H 33 8.679 8.467 0.212 2
1 326 . 1 1 A 33 33 LEU HA H 33 3.645 3.899 -0.254 2
1 336 . 1 1 A 33 33 LEU C C 33 178.378 178.903 -0.525 2
1 337 . 1 1 A 33 33 LEU CA C 33 58.218 57.853 0.365 2
1 338 . 1 1 A 33 33 LEU CB C 33 42.339 41.740 0.599 2
1 342 . 1 1 A 33 33 LEU N N 33 119.993 121.198 -1.205 2
1 343 . 1 1 A 34 34 SER H H 34 7.727 8.176 -0.449 2
1 344 . 1 1 A 34 34 SER HA H 34 4.116 4.044 0.072 2
1 347 . 1 1 A 34 34 SER C C 34 176.484 177.156 -0.672 2
1 348 . 1 1 A 34 34 SER CA C 34 62.063 61.628 0.435 2
1 349 . 1 1 A 34 34 SER CB C 34 62.725 62.967 -0.242 2
1 350 . 1 1 A 34 34 SER N N 34 113.341 113.219 0.121 2
1 351 . 1 1 A 35 35 LYS H H 35 7.525 7.852 -0.327 2
1 352 . 1 1 A 35 35 LYS HA H 35 4.122 3.939 0.183 2
1 361 . 1 1 A 35 35 LYS C C 35 180.368 178.855 1.513 2
1 362 . 1 1 A 35 35 LYS CA C 35 59.502 59.697 -0.195 2
1 363 . 1 1 A 35 35 LYS CB C 35 32.414 32.358 0.056 2
1 367 . 1 1 A 35 35 LYS N N 35 120.812 121.114 -0.302 2
1 368 . 1 1 A 36 36 ILE H H 36 8.219 8.075 0.143 2
1 369 . 1 1 A 36 36 ILE HA H 36 3.280 3.502 -0.222 2
1 379 . 1 1 A 36 36 ILE C C 36 178.159 178.115 0.044 2
1 380 . 1 1 A 36 36 ILE CA C 36 65.794 65.034 0.760 2
1 381 . 1 1 A 36 36 ILE CB C 36 38.008 37.246 0.762 2
1 385 . 1 1 A 36 36 ILE N N 36 122.240 119.884 2.356 2
1 386 . 1 1 A 37 37 ALA H H 37 8.438 8.144 0.294 2
1 387 . 1 1 A 37 37 ALA HA H 37 3.862 3.985 -0.123 2
1 391 . 1 1 A 37 37 ALA C C 37 179.276 179.040 0.236 2
1 392 . 1 1 A 37 37 ALA CA C 37 56.223 55.476 0.747 2
1 393 . 1 1 A 37 37 ALA CB C 37 17.186 18.226 -1.040 2
1 394 . 1 1 A 37 37 ALA N N 37 122.058 122.375 -0.317 2
1 395 . 1 1 A 38 38 ASP H H 38 8.072 8.251 -0.179 2
1 396 . 1 1 A 38 38 ASP HA H 38 4.495 4.385 0.110 2
1 399 . 1 1 A 38 38 ASP C C 38 178.984 178.037 0.947 2
1 400 . 1 1 A 38 38 ASP CA C 38 56.857 56.907 -0.050 2
1 401 . 1 1 A 38 38 ASP CB C 38 40.813 41.403 -0.590 2
1 402 . 1 1 A 38 38 ASP N N 38 115.894 118.926 -3.032 2
1 403 . 1 1 A 39 39 SER H H 39 7.954 7.572 0.382 2
1 404 . 1 1 A 39 39 SER HA H 39 4.247 4.307 -0.060 2
1 406 . 1 1 A 39 39 SER C C 39 175.610 176.144 -0.534 2
1 407 . 1 1 A 39 39 SER CA C 39 61.580 61.782 -0.202 2
1 408 . 1 1 A 39 39 SER CB C 39 63.373 63.204 0.169 2
1 409 . 1 1 A 39 39 SER N N 39 114.432 115.425 -0.993 2
1 410 . 1 1 A 40 40 VAL H H 40 7.850 7.266 0.584 2
1 411 . 1 1 A 40 40 VAL HA H 40 4.456 4.256 0.200 2
1 419 . 1 1 A 40 40 VAL C C 40 174.445 175.107 -0.662 2
1 420 . 1 1 A 40 40 VAL CA C 40 60.913 61.213 -0.300 2
1 421 . 1 1 A 40 40 VAL CB C 40 31.778 31.200 0.578 2
1 424 . 1 1 A 40 40 VAL N N 40 111.349 114.712 -3.363 2
1 425 . 1 1 A 41 41 ASN H H 41 7.804 8.021 -0.217 2
1 426 . 1 1 A 41 41 ASN HA H 41 4.348 4.322 0.026 2
1 431 . 1 1 A 41 41 ASN C C 41 174.008 173.731 0.277 2
1 432 . 1 1 A 41 41 ASN CA C 41 54.066 54.348 -0.282 2
1 433 . 1 1 A 41 41 ASN CB C 41 37.225 37.074 0.151 2
1 434 . 1 1 A 41 41 ASN N N 41 117.410 116.820 0.590 2
1 436 . 1 1 A 42 42 LEU H H 42 7.904 7.645 0.259 2
1 437 . 1 1 A 42 42 LEU HA H 42 5.001 4.795 0.206 2
1 447 . 1 1 A 42 42 LEU C C 42 173.886 174.278 -0.392 2
1 448 . 1 1 A 42 42 LEU CA C 42 51.484 51.523 -0.039 2
1 449 . 1 1 A 42 42 LEU CB C 42 45.928 44.302 1.626 2
1 453 . 1 1 A 42 42 LEU N N 42 117.347 119.034 -1.687 2
1 454 . 1 1 A 43 43 PRO HA H 43 4.423 4.563 -0.140 2
1 461 . 1 1 A 43 43 PRO C C 43 178.013 176.649 1.364 2
1 462 . 1 1 A 43 43 PRO CA C 43 62.234 62.305 -0.071 2
1 463 . 1 1 A 43 43 PRO CB C 43 32.616 33.534 -0.918 2
1 466 . 1 1 A 44 44 LEU H H 44 8.758 8.866 -0.108 2
1 467 . 1 1 A 44 44 LEU HA H 44 3.780 4.198 -0.418 2
1 477 . 1 1 A 44 44 LEU C C 44 178.208 178.185 0.023 2
1 478 . 1 1 A 44 44 LEU CA C 44 58.592 56.943 1.649 2
1 479 . 1 1 A 44 44 LEU CB C 44 41.747 41.942 -0.195 2
1 483 . 1 1 A 44 44 LEU N N 44 125.847 122.254 3.593 2
1 484 . 1 1 A 45 45 ASP H H 45 8.822 8.232 0.590 2
1 485 . 1 1 A 45 45 ASP HA H 45 4.270 4.399 -0.129 2
1 488 . 1 1 A 45 45 ASP C C 45 178.523 178.577 -0.054 2
1 489 . 1 1 A 45 45 ASP CA C 45 57.621 57.051 0.570 2
1 490 . 1 1 A 45 45 ASP CB C 45 40.612 40.546 0.066 2
1 491 . 1 1 A 45 45 ASP N N 45 114.687 118.709 -4.022 2
1 492 . 1 1 A 46 46 VAL H H 46 7.098 7.971 -0.873 2
1 493 . 1 1 A 46 46 VAL HA H 46 3.707 3.671 0.036 2
1 501 . 1 1 A 46 46 VAL C C 46 178.353 178.599 -0.246 2
1 502 . 1 1 A 46 46 VAL CA C 46 65.770 66.501 -0.731 2
1 503 . 1 1 A 46 46 VAL CB C 46 32.179 31.619 0.560 2
1 506 . 1 1 A 46 46 VAL N N 46 118.849 120.163 -1.314 2
1 507 . 1 1 A 47 47 VAL H H 47 7.429 7.882 -0.453 2
1 508 . 1 1 A 47 47 VAL HA H 47 3.633 3.627 0.006 2
1 516 . 1 1 A 47 47 VAL C C 47 177.698 178.368 -0.670 2
1 517 . 1 1 A 47 47 VAL CA C 47 67.413 66.770 0.643 2
1 518 . 1 1 A 47 47 VAL CB C 47 32.258 31.627 0.631 2
1 521 . 1 1 A 47 47 VAL N N 47 120.616 120.598 0.018 2
1 522 . 1 1 A 48 48 LYS H H 48 9.110 7.862 1.248 2
1 523 . 1 1 A 48 48 LYS HA H 48 4.005 4.089 -0.084 2
1 531 . 1 1 A 48 48 LYS C C 48 178.717 179.297 -0.580 2
1 532 . 1 1 A 48 48 LYS CA C 48 60.749 60.520 0.229 2
1 533 . 1 1 A 48 48 LYS CB C 48 33.140 32.428 0.712 2
1 537 . 1 1 A 48 48 LYS N N 48 119.748 119.216 0.532 2
1 538 . 1 1 A 49 49 LYS H H 49 7.901 8.023 -0.122 2
1 539 . 1 1 A 49 49 LYS HA H 49 4.116 4.030 0.086 2
1 547 . 1 1 A 49 49 LYS C C 49 178.863 178.712 0.151 2
1 548 . 1 1 A 49 49 LYS CA C 49 59.087 59.484 -0.397 2
1 549 . 1 1 A 49 49 LYS CB C 49 32.085 32.215 -0.130 2
1 553 . 1 1 A 49 49 LYS N N 49 117.787 119.342 -1.555 2
1 554 . 1 1 A 50 50 TRP H H 50 8.060 7.862 0.198 2
1 555 . 1 1 A 50 50 TRP HA H 50 4.089 4.188 -0.099 2
1 564 . 1 1 A 50 50 TRP C C 50 178.547 178.097 0.450 2
1 565 . 1 1 A 50 50 TRP CA C 50 62.575 60.697 1.878 2
1 566 . 1 1 A 50 50 TRP CB C 50 28.755 29.657 -0.902 2
1 572 . 1 1 A 50 50 TRP N N 50 121.102 121.416 -0.314 2
1 574 . 1 1 A 51 51 PHE H H 51 8.695 8.235 0.460 2
1 575 . 1 1 A 51 51 PHE HA H 51 3.750 4.248 -0.498 2
1 583 . 1 1 A 51 51 PHE C C 51 178.620 178.325 0.295 2
1 584 . 1 1 A 51 51 PHE CA C 51 63.542 61.984 1.558 2
1 585 . 1 1 A 51 51 PHE CB C 51 39.112 38.857 0.255 2
1 591 . 1 1 A 51 51 PHE N N 51 118.773 118.139 0.634 2
1 592 . 1 1 A 52 52 GLU H H 52 8.399 8.420 -0.021 2
1 593 . 1 1 A 52 52 GLU HA H 52 4.077 3.955 0.122 2
1 598 . 1 1 A 52 52 GLU C C 52 179.834 179.262 0.572 2
1 599 . 1 1 A 52 52 GLU CA C 52 59.657 59.977 -0.320 2
1 600 . 1 1 A 52 52 GLU CB C 52 29.561 29.231 0.330 2
1 602 . 1 1 A 52 52 GLU N N 52 118.518 118.350 0.168 2
1 603 . 1 1 A 53 53 LYS H H 53 7.957 8.016 -0.059 2
1 604 . 1 1 A 53 53 LYS HA H 53 3.981 3.961 0.020 2
1 612 . 1 1 A 53 53 LYS C C 53 179.349 178.592 0.757 2
1 613 . 1 1 A 53 53 LYS CA C 53 59.087 59.093 -0.006 2
1 614 . 1 1 A 53 53 LYS CB C 53 32.091 32.264 -0.173 2
1 618 . 1 1 A 53 53 LYS N N 53 120.286 119.943 0.343 2
1 619 . 1 1 A 54 54 MET H H 54 7.762 7.954 -0.192 2
1 620 . 1 1 A 54 54 MET HA H 54 3.853 3.739 0.115 2
1 626 . 1 1 A 54 54 MET C C 54 179.349 177.878 1.471 2
1 627 . 1 1 A 54 54 MET CA C 54 57.071 58.029 -0.958 2
1 628 . 1 1 A 54 54 MET CB C 54 31.158 31.212 -0.054 2
1 631 . 1 1 A 54 54 MET N N 54 119.874 118.377 1.497 2
1 632 . 1 1 A 55 55 GLN H H 55 8.284 8.175 0.109 2
1 633 . 1 1 A 55 55 GLN HA H 55 4.172 4.172 0.000 2
1 640 . 1 1 A 55 55 GLN C C 55 178.013 177.767 0.246 2
1 641 . 1 1 A 55 55 GLN CA C 55 57.906 58.744 -0.838 2
1 642 . 1 1 A 55 55 GLN CB C 55 28.308 28.286 0.022 2
1 644 . 1 1 A 55 55 GLN N N 55 119.171 117.943 1.228 2
1 646 . 1 1 A 56 56 ALA H H 56 7.665 7.300 0.365 2
1 647 . 1 1 A 56 56 ALA HA H 56 4.289 4.313 -0.024 2
1 651 . 1 1 A 56 56 ALA C C 56 178.572 177.708 0.864 2
1 652 . 1 1 A 56 56 ALA CA C 56 53.041 52.267 0.774 2
1 653 . 1 1 A 56 56 ALA CB C 56 18.784 19.534 -0.750 2
1 654 . 1 1 A 56 56 ALA N N 56 120.252 119.213 1.039 2
1 655 . 1 1 A 57 57 GLY H H 57 7.802 7.774 0.028 2
1 656 . 1 1 A 57 57 GLY HA2 H 57 3.945 3.906 0.039 2
1 657 . 1 1 A 57 57 GLY HA3 H 57 3.945 3.930 0.015 2
1 658 . 1 1 A 57 57 GLY C C 57 174.809 175.130 -0.321 2
1 659 . 1 1 A 57 57 GLY CA C 57 45.748 45.530 0.218 2
1 660 . 1 1 A 57 57 GLY N N 57 106.361 106.081 0.280 2
1 661 . 1 1 A 58 58 GLN H H 58 7.961 8.188 -0.227 2
1 662 . 1 1 A 58 58 GLN HA H 58 4.280 4.213 0.067 2
1 669 . 1 1 A 58 58 GLN C C 58 175.877 176.996 -1.119 2
1 670 . 1 1 A 58 58 GLN CA C 58 55.890 57.809 -1.919 2
1 671 . 1 1 A 58 58 GLN CB C 58 29.211 29.211 0.000 2
1 673 . 1 1 A 58 58 GLN N N 58 118.690 117.958 0.732 2
1 675 . 1 1 A 59 59 ILE H H 59 7.828 7.510 0.318 2
1 676 . 1 1 A 59 59 ILE HA H 59 4.178 3.913 0.265 2
1 686 . 1 1 A 59 59 ILE C C 59 175.950 175.608 0.342 2
1 687 . 1 1 A 59 59 ILE CA C 59 60.796 62.523 -1.727 2
1 688 . 1 1 A 59 59 ILE CB C 59 38.884 37.433 1.451 2
1 692 . 1 1 A 59 59 ILE N N 59 119.986 120.724 -0.738 2
1 693 . 1 1 A 60 60 SER H H 60 8.358 8.258 0.100 2
1 694 . 1 1 A 60 60 SER HA H 60 4.485 4.684 -0.199 2
1 697 . 1 1 A 60 60 SER C C 60 174.542 173.965 0.577 2
1 698 . 1 1 A 60 60 SER CA C 60 58.000 57.983 0.017 2
1 699 . 1 1 A 60 60 SER CB C 60 63.869 64.539 -0.670 2
1 700 . 1 1 A 60 60 SER N N 60 119.848 120.296 -0.448 2
1 701 . 1 1 A 61 61 VAL H H 61 8.223 8.555 -0.332 2
1 702 . 1 1 A 61 61 VAL HA H 61 4.132 4.314 -0.183 2
1 710 . 1 1 A 61 61 VAL C C 61 176.023 175.625 0.398 2
1 711 . 1 1 A 61 61 VAL CA C 61 62.254 62.227 0.027 2
1 712 . 1 1 A 61 61 VAL CB C 61 32.702 33.152 -0.450 2
1 715 . 1 1 A 61 61 VAL N N 61 121.796 122.956 -1.160 2
1 716 . 1 1 A 62 62 GLN H H 62 8.405 8.284 0.121 2
1 717 . 1 1 A 62 62 GLN HA H 62 4.389 4.501 -0.112 2
1 724 . 1 1 A 62 62 GLN C C 62 175.901 175.297 0.604 2
1 725 . 1 1 A 62 62 GLN CA C 62 55.792 55.943 -0.151 2
1 726 . 1 1 A 62 62 GLN CB C 62 29.530 29.935 -0.405 2
1 728 . 1 1 A 62 62 GLN N N 62 123.728 123.861 -0.133 2
1 730 . 1 1 A 63 63 SER H H 63 8.396 8.413 -0.017 2
1 731 . 1 1 A 63 63 SER HA H 63 4.482 4.763 -0.281 2
1 734 . 1 1 A 63 63 SER C C 63 173.668 174.128 -0.460 2
1 735 . 1 1 A 63 63 SER CA C 63 58.445 57.840 0.605 2
1 736 . 1 1 A 63 63 SER CB C 63 63.964 64.710 -0.746 2
1 737 . 1 1 A 63 63 SER N N 63 118.100 117.714 0.386 2
stop_
save_