data_15314_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15314
_Entry.PDB_ID 2JR1
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 13 . 1 1 1 A 2 2 ASN H H 2 9.438 9.079 0.359 1
1 14 . 1 1 1 A 2 2 ASN HA H 2 5.912 4.615 1.297 1
1 19 . 1 1 1 A 2 2 ASN C C 2 175.436 176.166 -0.730 1
1 20 . 1 1 1 A 2 2 ASN CA C 2 54.299 56.554 -2.255 1
1 21 . 1 1 1 A 2 2 ASN CB C 2 38.092 38.793 -0.701 1
1 22 . 1 1 1 A 2 2 ASN N N 2 121.344 120.154 1.190 1
1 24 . 1 1 1 A 3 3 VAL H H 3 8.328 7.707 0.621 1
1 25 . 1 1 1 A 3 3 VAL HA H 3 4.161 4.571 -0.410 1
1 30 . 1 1 1 A 3 3 VAL C C 3 178.200 175.343 2.857 1
1 31 . 1 1 1 A 3 3 VAL CA C 3 61.577 62.148 -0.571 1
1 32 . 1 1 1 A 3 3 VAL CB C 3 32.162 32.219 -0.057 1
1 34 . 1 1 1 A 3 3 VAL N N 3 122.195 118.882 3.313 1
1 35 . 1 1 1 A 4 4 LYS H H 4 8.474 8.973 -0.499 1
1 36 . 1 1 1 A 4 4 LYS HA H 4 4.283 4.659 -0.376 1
1 44 . 1 1 1 A 4 4 LYS C C 4 177.509 175.292 2.217 1
1 45 . 1 1 1 A 4 4 LYS CA C 4 55.197 55.596 -0.399 1
1 46 . 1 1 1 A 4 4 LYS CB C 4 30.194 35.650 -5.456 1
1 47 . 1 1 1 A 4 4 LYS N N 4 122.239 128.238 -5.999 1
1 48 . 1 1 1 A 5 5 GLN H H 5 8.507 8.724 -0.217 1
1 49 . 1 1 1 A 5 5 GLN HA H 5 4.383 4.509 -0.126 1
1 56 . 1 1 1 A 5 5 GLN C C 5 177.440 176.339 1.101 1
1 57 . 1 1 1 A 5 5 GLN CA C 5 55.081 55.592 -0.511 1
1 58 . 1 1 1 A 5 5 GLN CB C 5 29.505 30.075 -0.570 1
1 60 . 1 1 1 A 5 5 GLN N N 5 123.847 127.002 -3.155 1
1 62 . 1 1 1 A 6 6 LYS H H 6 8.407 8.765 -0.358 1
1 63 . 1 1 1 A 6 6 LYS HA H 6 4.392 4.582 -0.190 1
1 72 . 1 1 1 A 6 6 LYS C C 6 178.373 176.028 2.345 1
1 73 . 1 1 1 A 6 6 LYS CA C 6 61.491 56.546 4.945 1
1 74 . 1 1 1 A 6 6 LYS CB C 6 31.993 34.066 -2.073 1
1 78 . 1 1 1 A 6 6 LYS N N 6 123.099 121.674 1.425 1
1 79 . 1 1 1 A 7 7 SER H H 7 8.516 8.594 -0.078 1
1 80 . 1 1 1 A 7 7 SER HA H 7 4.483 5.218 -0.735 1
1 83 . 1 1 1 A 7 7 SER C C 7 175.401 173.022 2.379 1
1 84 . 1 1 1 A 7 7 SER CA C 7 57.370 57.737 -0.367 1
1 85 . 1 1 1 A 7 7 SER CB C 7 62.979 65.442 -2.463 1
1 86 . 1 1 1 A 7 7 SER N N 7 117.184 116.635 0.549 1
1 87 . 1 1 1 A 8 8 GLU H H 8 8.548 9.151 -0.603 1
1 88 . 1 1 1 A 8 8 GLU HA H 8 4.397 5.306 -0.909 1
1 93 . 1 1 1 A 8 8 GLU C C 8 177.785 175.444 2.341 1
1 94 . 1 1 1 A 8 8 GLU CA C 8 55.856 55.258 0.598 1
1 95 . 1 1 1 A 8 8 GLU CB C 8 29.726 31.086 -1.360 1
1 97 . 1 1 1 A 8 8 GLU N N 8 123.697 125.170 -1.473 1
1 98 . 1 1 1 A 9 9 ILE H H 9 8.279 9.019 -0.740 1
1 99 . 1 1 1 A 9 9 ILE HA H 9 4.276 4.877 -0.601 1
1 109 . 1 1 1 A 9 9 ILE C C 9 177.958 175.392 2.566 1
1 110 . 1 1 1 A 9 9 ILE CA C 9 60.538 59.748 0.790 1
1 111 . 1 1 1 A 9 9 ILE CB C 9 37.725 41.539 -3.814 1
1 115 . 1 1 1 A 9 9 ILE N N 9 122.616 125.253 -2.637 1
1 116 . 1 1 1 A 10 10 THR H H 10 8.255 8.721 -0.466 1
1 117 . 1 1 1 A 10 10 THR HA H 10 4.592 4.469 0.123 1
1 122 . 1 1 1 A 10 10 THR C C 10 174.993 174.536 0.457 1
1 123 . 1 1 1 A 10 10 THR CA C 10 61.010 61.944 -0.934 1
1 124 . 1 1 1 A 10 10 THR CB C 10 68.505 69.482 -0.977 1
1 126 . 1 1 1 A 10 10 THR N N 10 119.401 121.464 -2.063 1
1 127 . 1 1 1 A 11 11 ALA H H 11 8.308 8.318 -0.010 1
1 128 . 1 1 1 A 11 11 ALA HA H 11 4.400 4.667 -0.267 1
1 132 . 1 1 1 A 11 11 ALA C C 11 178.822 176.897 1.925 1
1 133 . 1 1 1 A 11 11 ALA CA C 11 51.438 52.484 -1.046 1
1 134 . 1 1 1 A 11 11 ALA CB C 11 18.303 19.371 -1.068 1
1 135 . 1 1 1 A 11 11 ALA N N 11 127.285 126.968 0.317 1
1 136 . 1 1 1 A 12 12 LEU H H 12 8.228 8.629 -0.401 1
1 137 . 1 1 1 A 12 12 LEU HA H 12 4.457 5.036 -0.579 1
1 147 . 1 1 1 A 12 12 LEU C C 12 178.787 175.296 3.491 1
1 148 . 1 1 1 A 12 12 LEU CA C 12 54.261 53.438 0.823 1
1 149 . 1 1 1 A 12 12 LEU CB C 12 41.457 46.416 -4.959 1
1 152 . 1 1 1 A 12 12 LEU N N 12 122.431 121.725 0.706 1
1 153 . 1 1 1 A 13 13 VAL H H 13 8.171 8.607 -0.436 1
1 154 . 1 1 1 A 13 13 VAL HA H 13 4.164 4.151 0.013 1
1 159 . 1 1 1 A 13 13 VAL C C 13 177.412 175.522 1.890 1
1 160 . 1 1 1 A 13 13 VAL CA C 13 61.489 62.238 -0.749 1
1 161 . 1 1 1 A 13 13 VAL CB C 13 31.791 32.690 -0.899 1
1 163 . 1 1 1 A 13 13 VAL N N 13 122.619 122.136 0.483 1
1 164 . 1 1 1 A 14 14 LYS H H 14 8.459 8.272 0.187 1
1 165 . 1 1 1 A 14 14 LYS HA H 14 4.375 4.395 -0.020 1
1 174 . 1 1 1 A 14 14 LYS C C 14 177.509 176.089 1.420 1
1 175 . 1 1 1 A 14 14 LYS CA C 14 55.532 56.239 -0.707 1
1 176 . 1 1 1 A 14 14 LYS CB C 14 32.114 33.191 -1.077 1
1 180 . 1 1 1 A 14 14 LYS N N 14 125.566 125.088 0.478 1
1 181 . 1 1 1 A 15 15 GLU H H 15 8.434 8.500 -0.066 1
1 182 . 1 1 1 A 15 15 GLU HA H 15 4.380 4.383 -0.003 1
1 187 . 1 1 1 A 15 15 GLU C C 15 177.440 176.553 0.887 1
1 188 . 1 1 1 A 15 15 GLU CA C 15 55.302 56.625 -1.323 1
1 189 . 1 1 1 A 15 15 GLU CB C 15 29.616 29.665 -0.049 1
1 190 . 1 1 1 A 15 15 GLU N N 15 123.950 123.243 0.707 1
1 191 . 1 1 1 A 16 16 VAL H H 16 8.326 8.582 -0.256 1
1 192 . 1 1 1 A 16 16 VAL HA H 16 4.205 4.604 -0.399 1
1 197 . 1 1 1 A 16 16 VAL CA C 16 61.613 60.470 1.143 1
1 198 . 1 1 1 A 16 16 VAL CB C 16 32.231 35.464 -3.233 1
1 199 . 1 1 1 A 16 16 VAL N N 16 123.175 123.908 -0.733 1
1 200 . 1 1 1 A 17 17 THR H H 17 8.171 9.053 -0.882 1
1 201 . 1 1 1 A 17 17 THR HA H 17 4.470 4.068 0.402 1
1 206 . 1 1 1 A 17 17 THR CA C 17 57.893 67.470 -9.577 1
1 207 . 1 1 1 A 17 17 THR CB C 17 70.047 67.301 2.746 1
1 208 . 1 1 1 A 17 17 THR N N 17 119.533 119.314 0.219 1
1 209 . 1 1 1 A 19 19 PRO HA H 19 4.355 4.655 -0.300 1
1 212 . 1 1 1 A 19 19 PRO C C 19 177.057 175.242 1.815 1
1 213 . 1 1 1 A 19 19 PRO CA C 19 61.531 62.420 -0.889 1
1 214 . 1 1 1 A 19 19 PRO CB C 19 31.869 29.139 2.730 1
1 215 . 1 1 1 A 20 20 ARG H H 20 8.435 8.655 -0.220 1
1 216 . 1 1 1 A 20 20 ARG HA H 20 4.391 4.808 -0.417 1
1 223 . 1 1 1 A 20 20 ARG C C 20 177.509 174.385 3.124 1
1 224 . 1 1 1 A 20 20 ARG CA C 20 55.300 55.002 0.298 1
1 225 . 1 1 1 A 20 20 ARG CB C 20 32.492 33.243 -0.751 1
1 228 . 1 1 1 A 20 20 ARG N N 20 126.489 123.502 2.987 1
1 229 . 1 1 1 A 21 21 LYS H H 21 8.426 8.785 -0.359 1
1 230 . 1 1 1 A 21 21 LYS HA H 21 4.397 4.814 -0.417 1
1 239 . 1 1 1 A 21 21 LYS C C 21 177.412 175.444 1.968 1
1 240 . 1 1 1 A 21 21 LYS CA C 21 55.296 55.270 0.026 1
1 241 . 1 1 1 A 21 21 LYS CB C 21 29.837 32.559 -2.722 1
1 244 . 1 1 1 A 21 21 LYS N N 21 123.626 126.928 -3.302 1
1 245 . 1 1 1 A 22 22 ALA H H 22 8.378 8.640 -0.262 1
1 246 . 1 1 1 A 22 22 ALA HA H 22 4.628 4.512 0.116 1
1 250 . 1 1 1 A 22 22 ALA CA C 22 49.376 50.797 -1.421 1
1 251 . 1 1 1 A 22 22 ALA CB C 22 17.501 17.837 -0.336 1
1 252 . 1 1 1 A 22 22 ALA N N 22 127.197 128.911 -1.714 1
1 253 . 1 1 1 A 23 23 PRO HA H 23 4.219 4.797 -0.578 1
1 257 . 1 1 1 A 23 23 PRO C C 23 177.440 175.899 1.541 1
1 258 . 1 1 1 A 23 23 PRO CA C 23 61.724 62.221 -0.497 1
1 259 . 1 1 1 A 23 23 PRO CB C 23 32.162 29.154 3.008 1
1 260 . 1 1 1 A 24 24 SER H H 24 8.425 8.375 0.050 1
1 261 . 1 1 1 A 24 24 SER HA H 24 4.344 4.543 -0.199 1
1 264 . 1 1 1 A 24 24 SER C C 24 175.610 174.346 1.264 1
1 265 . 1 1 1 A 24 24 SER CA C 24 58.845 57.279 1.566 1
1 266 . 1 1 1 A 24 24 SER CB C 24 68.920 63.744 5.176 1
1 267 . 1 1 1 A 24 24 SER N N 24 122.433 114.646 7.787 1
1 268 . 1 1 1 A 25 25 LYS H H 25 8.323 8.562 -0.239 1
1 269 . 1 1 1 A 25 25 LYS HA H 25 4.137 4.500 -0.363 1
1 276 . 1 1 1 A 25 25 LYS C C 25 177.462 175.079 2.383 1
1 277 . 1 1 1 A 25 25 LYS CA C 25 55.504 55.649 -0.145 1
1 278 . 1 1 1 A 25 25 LYS CB C 25 32.155 31.467 0.688 1
1 281 . 1 1 1 A 25 25 LYS N N 25 121.718 124.713 -2.995 1
1 282 . 1 1 1 A 26 26 ALA H H 26 8.333 8.514 -0.181 1
1 283 . 1 1 1 A 26 26 ALA HA H 26 4.334 5.392 -1.058 1
1 287 . 1 1 1 A 26 26 ALA CA C 26 51.512 50.784 0.728 1
1 288 . 1 1 1 A 26 26 ALA CB C 26 18.486 20.571 -2.085 1
1 289 . 1 1 1 A 26 26 ALA N N 26 125.817 128.454 -2.637 1
1 290 . 1 1 1 A 27 27 LYS H H 27 8.347 8.845 -0.498 1
1 291 . 1 1 1 A 27 27 LYS HA H 27 4.354 5.064 -0.710 1
1 300 . 1 1 1 A 27 27 LYS C C 27 177.923 175.875 2.048 1
1 301 . 1 1 1 A 27 27 LYS CA C 27 55.413 54.531 0.882 1
1 302 . 1 1 1 A 27 27 LYS CB C 27 32.162 35.184 -3.022 1
1 306 . 1 1 1 A 27 27 LYS N N 27 121.810 123.083 -1.273 1
1 307 . 1 1 1 A 28 28 ARG H H 28 8.440 8.502 -0.062 1
1 308 . 1 1 1 A 28 28 ARG HA H 28 4.672 5.195 -0.523 1
1 315 . 1 1 1 A 28 28 ARG C C 28 177.474 175.184 2.290 1
1 316 . 1 1 1 A 28 28 ARG CA C 28 55.140 54.705 0.435 1
1 317 . 1 1 1 A 28 28 ARG CB C 28 28.508 31.717 -3.209 1
1 318 . 1 1 1 A 28 28 ARG N N 28 122.679 124.208 -1.529 1
1 319 . 1 1 1 A 29 29 GLU H H 29 8.470 8.451 0.019 1
1 320 . 1 1 1 A 29 29 GLU HA H 29 4.391 5.199 -0.808 1
1 325 . 1 1 1 A 29 29 GLU C C 29 177.057 175.241 1.816 1
1 326 . 1 1 1 A 29 29 GLU CA C 29 55.634 54.641 0.993 1
1 327 . 1 1 1 A 29 29 GLU CB C 29 32.461 33.797 -1.336 1
1 329 . 1 1 1 A 29 29 GLU N N 29 124.395 123.192 1.203 1
1 330 . 1 1 1 A 30 30 ALA H H 30 8.485 8.713 -0.228 1
1 331 . 1 1 1 A 30 30 ALA HA H 30 4.652 4.735 -0.083 1
1 335 . 1 1 1 A 30 30 ALA CA C 30 49.523 49.526 -0.003 1
1 336 . 1 1 1 A 30 30 ALA CB C 30 17.328 20.248 -2.920 1
1 337 . 1 1 1 A 30 30 ALA N N 30 128.118 125.402 2.716 1
1 338 . 1 1 1 A 31 31 PRO HA H 31 4.440 4.749 -0.309 1
1 345 . 1 1 1 A 31 31 PRO C C 31 177.612 176.296 1.316 1
1 346 . 1 1 1 A 31 31 PRO CA C 31 61.605 63.103 -1.498 1
1 347 . 1 1 1 A 31 31 PRO CB C 31 31.616 32.625 -1.009 1
1 348 . 1 1 1 A 32 32 ILE H H 32 8.202 8.113 0.089 1
1 349 . 1 1 1 A 32 32 ILE HA H 32 3.503 4.761 -1.258 1
1 359 . 1 1 1 A 32 32 ILE C C 32 176.061 176.384 -0.323 1
1 360 . 1 1 1 A 32 32 ILE CA C 32 60.929 59.022 1.907 1
1 361 . 1 1 1 A 32 32 ILE CB C 32 37.219 40.830 -3.611 1
1 365 . 1 1 1 A 32 32 ILE N N 32 121.270 116.631 4.639 1
1 366 . 1 1 1 A 33 33 LYS H H 33 7.434 9.387 -1.953 1
1 367 . 1 1 1 A 33 33 LYS HA H 33 4.370 4.359 0.011 1
1 376 . 1 1 1 A 33 33 LYS C C 33 176.960 177.303 -0.343 1
1 377 . 1 1 1 A 33 33 LYS CA C 33 56.553 59.214 -2.661 1
1 378 . 1 1 1 A 33 33 LYS CB C 33 35.043 32.242 2.801 1
1 382 . 1 1 1 A 33 33 LYS N N 33 126.133 124.446 1.687 1
1 383 . 1 1 1 A 34 34 TYR H H 34 7.974 8.451 -0.477 1
1 384 . 1 1 1 A 34 34 TYR HA H 34 4.551 4.269 0.282 1
1 389 . 1 1 1 A 34 34 TYR CA C 34 57.337 61.650 -4.313 1
1 390 . 1 1 1 A 34 34 TYR CB C 34 38.051 38.599 -0.548 1
1 393 . 1 1 1 A 34 34 TYR N N 34 121.936 120.393 1.543 1
1 394 . 1 1 1 A 35 35 TRP H H 35 7.912 8.223 -0.311 1
1 395 . 1 1 1 A 35 35 TRP HA H 35 4.687 4.526 0.161 1
1 403 . 1 1 1 A 35 35 TRP C C 35 171.862 175.690 -3.828 1
1 404 . 1 1 1 A 35 35 TRP CA C 35 56.720 59.942 -3.222 1
1 405 . 1 1 1 A 35 35 TRP CB C 35 28.638 31.173 -2.535 1
1 410 . 1 1 1 A 35 35 TRP N N 35 122.844 120.880 1.964 1
1 412 . 1 1 1 A 36 36 LEU H H 36 7.598 8.206 -0.608 1
1 413 . 1 1 1 A 36 36 LEU HA H 36 4.028 4.827 -0.799 1
1 423 . 1 1 1 A 36 36 LEU CA C 36 47.586 51.252 -3.666 1
1 424 . 1 1 1 A 36 36 LEU CB C 36 39.448 43.797 -4.349 1
1 428 . 1 1 1 A 36 36 LEU N N 36 117.117 118.535 -1.418 1
1 429 . 1 1 1 A 37 37 PRO HA H 37 4.340 4.510 -0.170 1
1 436 . 1 1 1 A 37 37 PRO C C 37 175.850 176.376 -0.526 1
1 437 . 1 1 1 A 37 37 PRO CA C 37 62.513 64.560 -2.047 1
1 438 . 1 1 1 A 37 37 PRO CB C 37 31.510 32.138 -0.628 1
1 439 . 1 1 1 A 38 38 HIS H H 38 7.704 7.916 -0.212 1
1 440 . 1 1 1 A 38 38 HIS HA H 38 4.366 5.013 -0.647 1
1 445 . 1 1 1 A 38 38 HIS C C 38 176.772 173.333 3.439 1
1 446 . 1 1 1 A 38 38 HIS CA C 38 56.604 54.487 2.117 1
1 447 . 1 1 1 A 38 38 HIS CB C 38 28.736 31.766 -3.030 1
1 450 . 1 1 1 A 38 38 HIS N N 38 111.845 116.275 -4.430 1
1 451 . 1 1 1 A 39 39 SER H H 39 6.451 8.915 -2.464 1
1 452 . 1 1 1 A 39 39 SER HA H 39 4.620 5.172 -0.552 1
1 455 . 1 1 1 A 39 39 SER C C 39 176.576 174.281 2.295 1
1 456 . 1 1 1 A 39 39 SER CA C 39 56.604 58.069 -1.465 1
1 457 . 1 1 1 A 39 39 SER CB C 39 65.579 64.130 1.449 1
1 458 . 1 1 1 A 39 39 SER N N 39 113.386 120.519 -7.133 1
1 459 . 1 1 1 A 40 40 GLY H H 40 8.420 8.659 -0.239 1
1 460 . 1 1 1 A 40 40 GLY HA2 H 40 4.346 4.311 0.035 1
1 461 . 1 1 1 A 40 40 GLY HA3 H 40 3.741 4.391 -0.650 1
1 462 . 1 1 1 A 40 40 GLY C C 40 176.997 173.642 3.355 1
1 463 . 1 1 1 A 40 40 GLY CA C 40 44.153 45.687 -1.534 1
1 464 . 1 1 1 A 40 40 GLY N N 40 113.160 111.686 1.474 1
1 465 . 1 1 1 A 41 41 ALA H H 41 7.187 8.668 -1.481 1
1 466 . 1 1 1 A 41 41 ALA HA H 41 4.397 5.036 -0.639 1
1 470 . 1 1 1 A 41 41 ALA C C 41 177.989 175.810 2.179 1
1 471 . 1 1 1 A 41 41 ALA CA C 41 51.533 50.816 0.717 1
1 472 . 1 1 1 A 41 41 ALA CB C 41 17.990 21.197 -3.207 1
1 473 . 1 1 1 A 41 41 ALA N N 41 123.786 124.788 -1.002 1
1 474 . 1 1 1 A 42 42 THR H H 42 8.358 8.803 -0.445 1
1 475 . 1 1 1 A 42 42 THR HA H 42 5.612 4.754 0.858 1
1 480 . 1 1 1 A 42 42 THR C C 42 175.505 173.159 2.346 1
1 481 . 1 1 1 A 42 42 THR CA C 42 58.816 61.333 -2.517 1
1 482 . 1 1 1 A 42 42 THR CB C 42 71.944 69.348 2.596 1
1 484 . 1 1 1 A 42 42 THR N N 42 108.609 118.767 -10.158 1
1 485 . 1 1 1 A 43 43 TRP H H 43 8.625 8.872 -0.247 1
1 486 . 1 1 1 A 43 43 TRP HA H 43 5.338 5.320 0.018 1
1 494 . 1 1 1 A 43 43 TRP C C 43 177.892 174.684 3.208 1
1 495 . 1 1 1 A 43 43 TRP CA C 43 54.345 54.829 -0.484 1
1 496 . 1 1 1 A 43 43 TRP CB C 43 31.571 32.163 -0.592 1
1 501 . 1 1 1 A 43 43 TRP N N 43 117.778 132.028 -14.250 1
1 503 . 1 1 1 A 44 44 SER H H 44 8.451 9.020 -0.569 1
1 504 . 1 1 1 A 44 44 SER HA H 44 4.498 5.286 -0.788 1
1 507 . 1 1 1 A 44 44 SER C C 44 175.850 174.083 1.767 1
1 508 . 1 1 1 A 44 44 SER CA C 44 57.363 57.428 -0.065 1
1 509 . 1 1 1 A 44 44 SER CB C 44 62.550 64.101 -1.551 1
1 510 . 1 1 1 A 44 44 SER N N 44 117.818 120.759 -2.941 1
1 511 . 1 1 1 A 45 45 GLY H H 45 7.513 8.265 -0.752 1
1 512 . 1 1 1 A 45 45 GLY HA2 H 45 4.344 4.198 0.146 1
1 513 . 1 1 1 A 45 45 GLY HA3 H 45 3.775 4.285 -0.510 1
1 514 . 1 1 1 A 45 45 GLY C C 45 172.858 173.706 -0.848 1
1 515 . 1 1 1 A 45 45 GLY CA C 45 44.312 46.070 -1.758 1
1 516 . 1 1 1 A 45 45 GLY N N 45 111.146 111.526 -0.380 1
1 517 . 1 1 1 A 46 46 ARG H H 46 8.534 7.971 0.563 1
1 518 . 1 1 1 A 46 46 ARG HA H 46 4.632 4.233 0.399 1
1 525 . 1 1 1 A 46 46 ARG C C 46 177.983 175.923 2.060 1
1 526 . 1 1 1 A 46 46 ARG CA C 46 53.530 55.574 -2.044 1
1 527 . 1 1 1 A 46 46 ARG CB C 46 31.064 30.672 0.392 1
1 530 . 1 1 1 A 46 46 ARG N N 46 120.921 124.205 -3.284 1
1 531 . 1 1 1 A 47 47 GLY H H 47 8.864 8.620 0.244 1
1 532 . 1 1 1 A 47 47 GLY HA2 H 47 3.919 3.729 0.190 1
1 533 . 1 1 1 A 47 47 GLY HA3 H 47 4.336 3.756 0.580 1
1 534 . 1 1 1 A 47 47 GLY C C 47 177.440 174.019 3.421 1
1 535 . 1 1 1 A 47 47 GLY CA C 47 44.060 46.884 -2.824 1
1 536 . 1 1 1 A 47 47 GLY N N 47 111.872 112.333 -0.461 1
1 537 . 1 1 1 A 48 48 LYS H H 48 7.752 7.709 0.043 1
1 538 . 1 1 1 A 48 48 LYS HA H 48 4.274 4.354 -0.080 1
1 547 . 1 1 1 A 48 48 LYS C C 48 178.053 175.704 2.349 1
1 548 . 1 1 1 A 48 48 LYS CA C 48 55.302 55.670 -0.368 1
1 549 . 1 1 1 A 48 48 LYS CB C 48 32.162 32.457 -0.295 1
1 550 . 1 1 1 A 48 48 LYS N N 48 125.971 120.403 5.568 1
1 551 . 1 1 1 A 49 49 ILE H H 49 8.236 8.615 -0.379 1
1 552 . 1 1 1 A 49 49 ILE HA H 49 2.797 4.569 -1.772 1
1 562 . 1 1 1 A 49 49 ILE CA C 49 58.222 57.807 0.415 1
1 563 . 1 1 1 A 49 49 ILE CB C 49 37.578 40.533 -2.955 1
1 567 . 1 1 1 A 49 49 ILE N N 49 126.182 124.663 1.519 1
1 568 . 1 1 1 A 50 50 PRO HA H 50 4.344 4.499 -0.155 1
1 571 . 1 1 1 A 50 50 PRO C C 50 178.547 176.861 1.686 1
1 572 . 1 1 1 A 50 50 PRO CA C 50 60.998 63.571 -2.573 1
1 573 . 1 1 1 A 50 50 PRO CB C 50 32.796 31.854 0.942 1
1 575 . 1 1 1 A 51 51 LYS H H 51 9.065 8.101 0.964 1
1 576 . 1 1 1 A 51 51 LYS HA H 51 4.870 4.067 0.803 1
1 581 . 1 1 1 A 51 51 LYS CA C 51 59.788 60.484 -0.696 1
1 582 . 1 1 1 A 51 51 LYS CB C 51 28.838 30.565 -1.727 1
1 583 . 1 1 1 A 51 51 LYS N N 51 125.299 119.554 5.745 1
1 584 . 1 1 1 A 52 52 PRO HA H 52 4.391 4.357 0.034 1
1 591 . 1 1 1 A 52 52 PRO C C 52 181.184 179.044 2.140 1
1 592 . 1 1 1 A 52 52 PRO CA C 52 64.975 65.569 -0.594 1
1 593 . 1 1 1 A 52 52 PRO CB C 52 30.072 31.142 -1.070 1
1 595 . 1 1 1 A 53 53 PHE H H 53 7.144 7.573 -0.429 1
1 596 . 1 1 1 A 53 53 PHE HA H 53 3.875 4.047 -0.172 1
1 601 . 1 1 1 A 53 53 PHE C C 53 177.838 177.740 0.098 1
1 602 . 1 1 1 A 53 53 PHE CA C 53 60.265 61.597 -1.332 1
1 603 . 1 1 1 A 53 53 PHE CB C 53 37.091 39.510 -2.419 1
1 606 . 1 1 1 A 53 53 PHE N N 53 116.868 118.500 -1.632 1
1 607 . 1 1 1 A 54 54 GLU H H 54 7.788 8.589 -0.801 1
1 608 . 1 1 1 A 54 54 GLU HA H 54 3.997 3.791 0.206 1
1 613 . 1 1 1 A 54 54 GLU C C 54 180.998 178.570 2.428 1
1 614 . 1 1 1 A 54 54 GLU CA C 54 58.691 59.464 -0.773 1
1 615 . 1 1 1 A 54 54 GLU CB C 54 29.328 29.421 -0.093 1
1 617 . 1 1 1 A 54 54 GLU N N 54 120.523 119.287 1.236 1
1 618 . 1 1 1 A 55 55 ALA H H 55 8.379 7.955 0.424 1
1 619 . 1 1 1 A 55 55 ALA HA H 55 4.086 4.224 -0.138 1
1 623 . 1 1 1 A 55 55 ALA C C 55 180.899 179.256 1.643 1
1 624 . 1 1 1 A 55 55 ALA CA C 55 53.119 55.127 -2.008 1
1 625 . 1 1 1 A 55 55 ALA CB C 55 17.854 18.259 -0.405 1
1 626 . 1 1 1 A 55 55 ALA N N 55 119.006 121.268 -2.262 1
1 627 . 1 1 1 A 56 56 TRP H H 56 7.575 7.594 -0.019 1
1 628 . 1 1 1 A 56 56 TRP HA H 56 4.616 4.305 0.311 1
1 634 . 1 1 1 A 56 56 TRP C C 56 179.334 177.989 1.345 1
1 635 . 1 1 1 A 56 56 TRP CA C 56 59.039 60.993 -1.954 1
1 636 . 1 1 1 A 56 56 TRP CB C 56 27.791 29.527 -1.736 1
1 639 . 1 1 1 A 56 56 TRP N N 56 119.770 119.983 -0.213 1
1 641 . 1 1 1 A 57 57 ILE H H 57 7.291 8.075 -0.784 1
1 642 . 1 1 1 A 57 57 ILE HA H 57 2.517 3.893 -1.376 1
1 651 . 1 1 1 A 57 57 ILE C C 57 177.768 177.211 0.557 1
1 652 . 1 1 1 A 57 57 ILE CA C 57 62.722 63.654 -0.932 1
1 653 . 1 1 1 A 57 57 ILE CB C 57 36.507 37.034 -0.527 1
1 657 . 1 1 1 A 57 57 ILE N N 57 117.374 118.180 -0.806 1
1 658 . 1 1 1 A 58 58 GLY H H 58 6.565 7.707 -1.142 1
1 659 . 1 1 1 A 58 58 GLY HA2 H 58 3.985 3.951 0.034 1
1 660 . 1 1 1 A 58 58 GLY HA3 H 58 4.069 4.039 0.030 1
1 661 . 1 1 1 A 58 58 GLY C C 58 178.787 175.698 3.089 1
1 662 . 1 1 1 A 58 58 GLY CA C 58 43.958 45.365 -1.407 1
1 663 . 1 1 1 A 58 58 GLY N N 58 110.422 109.595 0.827 1
1 664 . 1 1 1 A 59 59 THR H H 59 7.629 7.855 -0.226 1
1 665 . 1 1 1 A 59 59 THR HA H 59 4.554 3.970 0.584 1
1 670 . 1 1 1 A 59 59 THR CA C 59 60.466 65.324 -4.858 1
1 671 . 1 1 1 A 59 59 THR CB C 59 71.728 68.634 3.094 1
1 672 . 1 1 1 A 59 59 THR N N 59 111.600 117.551 -5.951 1
1 673 . 1 1 1 A 60 60 ALA H H 60 9.010 7.383 1.627 1
1 674 . 1 1 1 A 60 60 ALA HA H 60 4.917 4.514 0.403 1
1 678 . 1 1 1 A 60 60 ALA C C 60 182.933 178.333 4.600 1
1 679 . 1 1 1 A 60 60 ALA CA C 60 54.222 53.055 1.167 1
1 680 . 1 1 1 A 60 60 ALA CB C 60 18.122 20.906 -2.784 1
1 681 . 1 1 1 A 60 60 ALA N N 60 125.890 119.886 6.004 1
1 682 . 1 1 1 A 61 61 ALA H H 61 8.368 8.026 0.342 1
1 683 . 1 1 1 A 61 61 ALA HA H 61 4.256 4.069 0.187 1
1 687 . 1 1 1 A 61 61 ALA C C 61 182.536 179.226 3.310 1
1 688 . 1 1 1 A 61 61 ALA CA C 61 54.071 55.138 -1.067 1
1 689 . 1 1 1 A 61 61 ALA CB C 61 18.122 18.133 -0.011 1
1 690 . 1 1 1 A 61 61 ALA N N 61 121.272 120.701 0.571 1
1 691 . 1 1 1 A 62 62 TYR H H 62 7.310 8.360 -1.050 1
1 692 . 1 1 1 A 62 62 TYR HA H 62 3.381 4.117 -0.736 1
1 697 . 1 1 1 A 62 62 TYR C C 62 177.889 177.564 0.325 1
1 698 . 1 1 1 A 62 62 TYR CA C 62 60.203 61.876 -1.673 1
1 699 . 1 1 1 A 62 62 TYR CB C 62 36.771 38.675 -1.904 1
1 702 . 1 1 1 A 62 62 TYR N N 62 122.066 120.568 1.498 1
1 703 . 1 1 1 A 63 63 THR H H 63 8.303 7.890 0.413 1
1 704 . 1 1 1 A 63 63 THR HA H 63 4.405 3.759 0.646 1
1 709 . 1 1 1 A 63 63 THR C C 63 178.200 177.291 0.909 1
1 710 . 1 1 1 A 63 63 THR CA C 63 65.547 65.534 0.013 1
1 711 . 1 1 1 A 63 63 THR CB C 63 67.470 68.664 -1.194 1
1 712 . 1 1 1 A 63 63 THR N N 63 117.473 114.277 3.196 1
1 713 . 1 1 1 A 64 64 ALA H H 64 7.931 7.633 0.298 1
1 714 . 1 1 1 A 64 64 ALA HA H 64 4.220 4.066 0.154 1
1 718 . 1 1 1 A 64 64 ALA C C 64 181.966 179.484 2.482 1
1 719 . 1 1 1 A 64 64 ALA CA C 64 53.966 54.804 -0.838 1
1 720 . 1 1 1 A 64 64 ALA CB C 64 17.432 18.368 -0.936 1
1 721 . 1 1 1 A 64 64 ALA N N 64 123.649 122.836 0.813 1
1 722 . 1 1 1 A 65 65 TRP H H 65 8.049 8.372 -0.323 1
1 723 . 1 1 1 A 65 65 TRP HA H 65 4.294 4.042 0.252 1
1 729 . 1 1 1 A 65 65 TRP C C 65 181.255 178.501 2.754 1
1 730 . 1 1 1 A 65 65 TRP CA C 65 61.458 61.397 0.061 1
1 731 . 1 1 1 A 65 65 TRP CB C 65 27.748 29.540 -1.792 1
1 734 . 1 1 1 A 65 65 TRP N N 65 121.372 120.203 1.169 1
1 736 . 1 1 1 A 66 66 LYS H H 66 9.624 8.471 1.153 1
1 737 . 1 1 1 A 66 66 LYS HA H 66 4.352 4.141 0.211 1
1 745 . 1 1 1 A 66 66 LYS C C 66 180.615 179.063 1.552 1
1 746 . 1 1 1 A 66 66 LYS CA C 66 56.030 59.629 -3.599 1
1 747 . 1 1 1 A 66 66 LYS CB C 66 30.842 31.937 -1.095 1
1 751 . 1 1 1 A 66 66 LYS N N 66 123.631 118.391 5.240 1
1 752 . 1 1 1 A 67 67 ALA H H 67 8.822 8.068 0.754 1
1 753 . 1 1 1 A 67 67 ALA HA H 67 4.027 3.995 0.032 1
1 757 . 1 1 1 A 67 67 ALA C C 67 180.899 179.660 1.239 1
1 758 . 1 1 1 A 67 67 ALA CA C 67 53.759 54.909 -1.150 1
1 759 . 1 1 1 A 67 67 ALA CB C 67 17.534 18.181 -0.647 1
1 760 . 1 1 1 A 67 67 ALA N N 67 120.803 122.224 -1.421 1
1 761 . 1 1 1 A 68 68 LYS H H 68 6.888 7.476 -0.588 1
1 762 . 1 1 1 A 68 68 LYS HA H 68 4.233 4.186 0.047 1
1 771 . 1 1 1 A 68 68 LYS C C 68 175.989 176.711 -0.722 1
1 772 . 1 1 1 A 68 68 LYS CA C 68 54.355 57.726 -3.371 1
1 773 . 1 1 1 A 68 68 LYS CB C 68 33.056 32.925 0.131 1
1 777 . 1 1 1 A 68 68 LYS N N 68 113.741 114.842 -1.101 1
1 778 . 1 1 1 A 69 69 HIS H H 69 7.111 7.956 -0.845 1
1 779 . 1 1 1 A 69 69 HIS HA H 69 4.768 4.922 -0.154 1
1 784 . 1 1 1 A 69 69 HIS CA C 69 52.654 53.719 -1.065 1
1 785 . 1 1 1 A 69 69 HIS CB C 69 27.381 32.790 -5.409 1
1 788 . 1 1 1 A 69 69 HIS N N 69 120.596 115.351 5.245 1
1 789 . 1 1 1 A 70 70 PRO HA H 70 4.230 4.336 -0.106 1
1 796 . 1 1 1 A 70 70 PRO C C 70 179.651 176.605 3.046 1
1 797 . 1 1 1 A 70 70 PRO CA C 70 64.184 65.479 -1.295 1
1 798 . 1 1 1 A 70 70 PRO CB C 70 30.854 31.681 -0.827 1
1 800 . 1 1 1 A 71 71 ASP H H 71 8.619 8.088 0.531 1
1 801 . 1 1 1 A 71 71 ASP HA H 71 4.917 4.967 -0.050 1
1 804 . 1 1 1 A 71 71 ASP C C 71 177.057 176.114 0.943 1
1 805 . 1 1 1 A 71 71 ASP CA C 71 52.975 52.958 0.017 1
1 806 . 1 1 1 A 71 71 ASP CB C 71 40.475 40.921 -0.446 1
1 807 . 1 1 1 A 71 71 ASP N N 71 116.294 115.880 0.414 1
1 808 . 1 1 1 A 72 72 GLU H H 72 7.389 8.676 -1.287 1
1 809 . 1 1 1 A 72 72 GLU HA H 72 4.920 4.273 0.647 1
1 814 . 1 1 1 A 72 72 GLU C C 72 176.986 177.300 -0.314 1
1 815 . 1 1 1 A 72 72 GLU CA C 72 54.236 59.103 -4.867 1
1 816 . 1 1 1 A 72 72 GLU CB C 72 33.622 30.546 3.076 1
1 818 . 1 1 1 A 72 72 GLU N N 72 120.136 125.884 -5.748 1
1 819 . 1 1 1 A 73 73 LYS H H 73 9.155 7.720 1.435 1
1 820 . 1 1 1 A 73 73 LYS HA H 73 4.245 4.189 0.056 1
1 829 . 1 1 1 A 73 73 LYS C C 73 176.680 176.223 0.457 1
1 830 . 1 1 1 A 73 73 LYS CA C 73 57.999 55.849 2.150 1
1 831 . 1 1 1 A 73 73 LYS CB C 73 33.418 32.662 0.756 1
1 835 . 1 1 1 A 73 73 LYS N N 73 121.554 120.511 1.043 1
1 836 . 1 1 1 A 74 74 PHE H H 74 7.171 8.748 -1.577 1
1 837 . 1 1 1 A 74 74 PHE HA H 74 4.600 4.463 0.137 1
1 843 . 1 1 1 A 74 74 PHE CA C 74 55.159 56.588 -1.429 1
1 844 . 1 1 1 A 74 74 PHE CB C 74 40.451 40.005 0.446 1
1 848 . 1 1 1 A 74 74 PHE N N 74 111.944 126.761 -14.817 1
1 849 . 1 1 1 A 75 75 PRO HA H 75 4.640 4.285 0.355 1
1 856 . 1 1 1 A 75 75 PRO C C 75 176.914 175.045 1.869 1
1 857 . 1 1 1 A 75 75 PRO CA C 75 62.713 61.956 0.757 1
1 858 . 1 1 1 A 75 75 PRO CB C 75 30.073 29.207 0.866 1
1 860 . 1 1 1 A 76 76 ALA H H 76 9.039 8.502 0.537 1
1 861 . 1 1 1 A 76 76 ALA HA H 76 4.870 5.168 -0.298 1
1 865 . 1 1 1 A 76 76 ALA C C 76 179.974 176.747 3.227 1
1 866 . 1 1 1 A 76 76 ALA CA C 76 50.923 50.554 0.369 1
1 867 . 1 1 1 A 76 76 ALA CB C 76 18.130 21.090 -2.960 1
1 868 . 1 1 1 A 76 76 ALA N N 76 128.387 125.942 2.445 1
1 869 . 1 1 1 A 77 77 PHE H H 77 8.117 8.881 -0.764 1
1 870 . 1 1 1 A 77 77 PHE HA H 77 4.915 5.206 -0.291 1
1 875 . 1 1 1 A 77 77 PHE CA C 77 53.371 55.061 -1.690 1
1 876 . 1 1 1 A 77 77 PHE CB C 77 36.523 40.796 -4.273 1
1 878 . 1 1 1 A 77 77 PHE N N 77 125.115 118.817 6.298 1
1 879 . 1 1 1 A 78 78 PRO HA H 78 4.245 4.831 -0.586 1
1 886 . 1 1 1 A 78 78 PRO C C 78 176.487 175.942 0.545 1
1 887 . 1 1 1 A 78 78 PRO CA C 78 62.480 62.234 0.246 1
1 888 . 1 1 1 A 78 78 PRO CB C 78 30.324 31.624 -1.300 1
1 13 . 2 1 1 A 2 2 ASN H H 2 9.438 8.797 0.641 1
1 14 . 2 1 1 A 2 2 ASN HA H 2 5.912 4.672 1.240 1
1 19 . 2 1 1 A 2 2 ASN C C 2 175.436 175.584 -0.148 1
1 20 . 2 1 1 A 2 2 ASN CA C 2 54.299 55.930 -1.631 1
1 21 . 2 1 1 A 2 2 ASN CB C 2 38.092 39.038 -0.946 1
1 22 . 2 1 1 A 2 2 ASN N N 2 121.344 124.788 -3.444 1
1 24 . 2 1 1 A 3 3 VAL H H 3 8.328 7.856 0.472 1
1 25 . 2 1 1 A 3 3 VAL HA H 3 4.161 4.586 -0.425 1
1 30 . 2 1 1 A 3 3 VAL C C 3 178.200 175.598 2.602 1
1 31 . 2 1 1 A 3 3 VAL CA C 3 61.577 61.438 0.139 1
1 32 . 2 1 1 A 3 3 VAL CB C 3 32.162 33.508 -1.346 1
1 34 . 2 1 1 A 3 3 VAL N N 3 122.195 118.630 3.565 1
1 35 . 2 1 1 A 4 4 LYS H H 4 8.474 8.839 -0.365 1
1 36 . 2 1 1 A 4 4 LYS HA H 4 4.283 4.775 -0.492 1
1 44 . 2 1 1 A 4 4 LYS C C 4 177.509 175.209 2.300 1
1 45 . 2 1 1 A 4 4 LYS CA C 4 55.197 54.540 0.657 1
1 46 . 2 1 1 A 4 4 LYS CB C 4 30.194 36.290 -6.096 1
1 47 . 2 1 1 A 4 4 LYS N N 4 122.239 126.709 -4.470 1
1 48 . 2 1 1 A 5 5 GLN H H 5 8.507 8.264 0.243 1
1 49 . 2 1 1 A 5 5 GLN HA H 5 4.383 4.372 0.011 1
1 56 . 2 1 1 A 5 5 GLN C C 5 177.440 175.908 1.532 1
1 57 . 2 1 1 A 5 5 GLN CA C 5 55.081 56.194 -1.113 1
1 58 . 2 1 1 A 5 5 GLN CB C 5 29.505 29.734 -0.229 1
1 60 . 2 1 1 A 5 5 GLN N N 5 123.847 121.439 2.408 1
1 62 . 2 1 1 A 6 6 LYS H H 6 8.407 8.497 -0.090 1
1 63 . 2 1 1 A 6 6 LYS HA H 6 4.392 4.726 -0.334 1
1 72 . 2 1 1 A 6 6 LYS C C 6 178.373 175.798 2.575 1
1 73 . 2 1 1 A 6 6 LYS CA C 6 61.491 55.623 5.868 1
1 74 . 2 1 1 A 6 6 LYS CB C 6 31.993 34.155 -2.162 1
1 78 . 2 1 1 A 6 6 LYS N N 6 123.099 120.981 2.118 1
1 79 . 2 1 1 A 7 7 SER H H 7 8.516 8.949 -0.433 1
1 80 . 2 1 1 A 7 7 SER HA H 7 4.483 4.947 -0.464 1
1 83 . 2 1 1 A 7 7 SER C C 7 175.401 173.596 1.805 1
1 84 . 2 1 1 A 7 7 SER CA C 7 57.370 57.955 -0.585 1
1 85 . 2 1 1 A 7 7 SER CB C 7 62.979 63.667 -0.688 1
1 86 . 2 1 1 A 7 7 SER N N 7 117.184 120.944 -3.760 1
1 87 . 2 1 1 A 8 8 GLU H H 8 8.548 9.177 -0.629 1
1 88 . 2 1 1 A 8 8 GLU HA H 8 4.397 5.080 -0.683 1
1 93 . 2 1 1 A 8 8 GLU C C 8 177.785 175.226 2.559 1
1 94 . 2 1 1 A 8 8 GLU CA C 8 55.856 55.296 0.560 1
1 95 . 2 1 1 A 8 8 GLU CB C 8 29.726 30.119 -0.393 1
1 97 . 2 1 1 A 8 8 GLU N N 8 123.697 124.891 -1.194 1
1 98 . 2 1 1 A 9 9 ILE H H 9 8.279 8.875 -0.596 1
1 99 . 2 1 1 A 9 9 ILE HA H 9 4.276 4.768 -0.492 1
1 109 . 2 1 1 A 9 9 ILE C C 9 177.958 175.649 2.309 1
1 110 . 2 1 1 A 9 9 ILE CA C 9 60.538 59.829 0.709 1
1 111 . 2 1 1 A 9 9 ILE CB C 9 37.725 40.820 -3.095 1
1 115 . 2 1 1 A 9 9 ILE N N 9 122.616 125.100 -2.484 1
1 116 . 2 1 1 A 10 10 THR H H 10 8.255 8.716 -0.461 1
1 117 . 2 1 1 A 10 10 THR HA H 10 4.592 4.458 0.134 1
1 122 . 2 1 1 A 10 10 THR C C 10 174.993 174.170 0.823 1
1 123 . 2 1 1 A 10 10 THR CA C 10 61.010 62.136 -1.126 1
1 124 . 2 1 1 A 10 10 THR CB C 10 68.505 69.420 -0.915 1
1 126 . 2 1 1 A 10 10 THR N N 10 119.401 121.532 -2.131 1
1 127 . 2 1 1 A 11 11 ALA H H 11 8.308 8.320 -0.012 1
1 128 . 2 1 1 A 11 11 ALA HA H 11 4.400 4.552 -0.152 1
1 132 . 2 1 1 A 11 11 ALA C C 11 178.822 177.126 1.696 1
1 133 . 2 1 1 A 11 11 ALA CA C 11 51.438 52.575 -1.137 1
1 134 . 2 1 1 A 11 11 ALA CB C 11 18.303 18.976 -0.673 1
1 135 . 2 1 1 A 11 11 ALA N N 11 127.285 127.397 -0.112 1
1 136 . 2 1 1 A 12 12 LEU H H 12 8.228 8.841 -0.613 1
1 137 . 2 1 1 A 12 12 LEU HA H 12 4.457 4.936 -0.479 1
1 147 . 2 1 1 A 12 12 LEU C C 12 178.787 176.454 2.333 1
1 148 . 2 1 1 A 12 12 LEU CA C 12 54.261 53.149 1.112 1
1 149 . 2 1 1 A 12 12 LEU CB C 12 41.457 44.178 -2.721 1
1 152 . 2 1 1 A 12 12 LEU N N 12 122.431 123.843 -1.412 1
1 153 . 2 1 1 A 13 13 VAL H H 13 8.171 8.490 -0.319 1
1 154 . 2 1 1 A 13 13 VAL HA H 13 4.164 4.115 0.049 1
1 159 . 2 1 1 A 13 13 VAL C C 13 177.412 175.708 1.704 1
1 160 . 2 1 1 A 13 13 VAL CA C 13 61.489 62.208 -0.719 1
1 161 . 2 1 1 A 13 13 VAL CB C 13 31.791 32.689 -0.898 1
1 163 . 2 1 1 A 13 13 VAL N N 13 122.619 121.450 1.169 1
1 164 . 2 1 1 A 14 14 LYS H H 14 8.459 8.355 0.104 1
1 165 . 2 1 1 A 14 14 LYS HA H 14 4.375 4.358 0.017 1
1 174 . 2 1 1 A 14 14 LYS C C 14 177.509 176.038 1.471 1
1 175 . 2 1 1 A 14 14 LYS CA C 14 55.532 56.394 -0.862 1
1 176 . 2 1 1 A 14 14 LYS CB C 14 32.114 33.118 -1.004 1
1 180 . 2 1 1 A 14 14 LYS N N 14 125.566 124.498 1.068 1
1 181 . 2 1 1 A 15 15 GLU H H 15 8.434 8.425 0.009 1
1 182 . 2 1 1 A 15 15 GLU HA H 15 4.380 4.878 -0.498 1
1 187 . 2 1 1 A 15 15 GLU C C 15 177.440 175.925 1.515 1
1 188 . 2 1 1 A 15 15 GLU CA C 15 55.302 55.711 -0.409 1
1 189 . 2 1 1 A 15 15 GLU CB C 15 29.616 30.566 -0.950 1
1 190 . 2 1 1 A 15 15 GLU N N 15 123.950 123.678 0.272 1
1 191 . 2 1 1 A 16 16 VAL H H 16 8.326 8.755 -0.429 1
1 192 . 2 1 1 A 16 16 VAL HA H 16 4.205 4.654 -0.449 1
1 197 . 2 1 1 A 16 16 VAL CA C 16 61.613 60.257 1.356 1
1 198 . 2 1 1 A 16 16 VAL CB C 16 32.231 36.103 -3.872 1
1 199 . 2 1 1 A 16 16 VAL N N 16 123.175 123.437 -0.262 1
1 200 . 2 1 1 A 17 17 THR H H 17 8.171 9.049 -0.878 1
1 201 . 2 1 1 A 17 17 THR HA H 17 4.470 4.132 0.338 1
1 206 . 2 1 1 A 17 17 THR CA C 17 57.893 67.408 -9.515 1
1 207 . 2 1 1 A 17 17 THR CB C 17 70.047 67.546 2.501 1
1 208 . 2 1 1 A 17 17 THR N N 17 119.533 118.506 1.027 1
1 209 . 2 1 1 A 19 19 PRO HA H 19 4.355 4.737 -0.382 1
1 212 . 2 1 1 A 19 19 PRO C C 19 177.057 175.317 1.740 1
1 213 . 2 1 1 A 19 19 PRO CA C 19 61.531 62.511 -0.980 1
1 214 . 2 1 1 A 19 19 PRO CB C 19 31.869 29.650 2.219 1
1 215 . 2 1 1 A 20 20 ARG H H 20 8.435 8.641 -0.206 1
1 216 . 2 1 1 A 20 20 ARG HA H 20 4.391 4.698 -0.307 1
1 223 . 2 1 1 A 20 20 ARG C C 20 177.509 173.747 3.762 1
1 224 . 2 1 1 A 20 20 ARG CA C 20 55.300 55.294 0.006 1
1 225 . 2 1 1 A 20 20 ARG CB C 20 32.492 33.227 -0.735 1
1 228 . 2 1 1 A 20 20 ARG N N 20 126.489 123.895 2.594 1
1 229 . 2 1 1 A 21 21 LYS H H 21 8.426 8.970 -0.544 1
1 230 . 2 1 1 A 21 21 LYS HA H 21 4.397 4.879 -0.482 1
1 239 . 2 1 1 A 21 21 LYS C C 21 177.412 175.327 2.085 1
1 240 . 2 1 1 A 21 21 LYS CA C 21 55.296 55.118 0.178 1
1 241 . 2 1 1 A 21 21 LYS CB C 21 29.837 33.662 -3.825 1
1 244 . 2 1 1 A 21 21 LYS N N 21 123.626 127.385 -3.759 1
1 245 . 2 1 1 A 22 22 ALA H H 22 8.378 8.747 -0.369 1
1 246 . 2 1 1 A 22 22 ALA HA H 22 4.628 4.674 -0.046 1
1 250 . 2 1 1 A 22 22 ALA CA C 22 49.376 50.529 -1.153 1
1 251 . 2 1 1 A 22 22 ALA CB C 22 17.501 18.758 -1.257 1
1 252 . 2 1 1 A 22 22 ALA N N 22 127.197 128.871 -1.674 1
1 253 . 2 1 1 A 23 23 PRO HA H 23 4.219 4.709 -0.490 1
1 257 . 2 1 1 A 23 23 PRO C C 23 177.440 174.984 2.456 1
1 258 . 2 1 1 A 23 23 PRO CA C 23 61.724 62.316 -0.592 1
1 259 . 2 1 1 A 23 23 PRO CB C 23 32.162 29.055 3.107 1
1 260 . 2 1 1 A 24 24 SER H H 24 8.425 8.559 -0.134 1
1 261 . 2 1 1 A 24 24 SER HA H 24 4.344 4.759 -0.415 1
1 264 . 2 1 1 A 24 24 SER C C 24 175.610 174.089 1.521 1
1 265 . 2 1 1 A 24 24 SER CA C 24 58.845 57.669 1.176 1
1 266 . 2 1 1 A 24 24 SER CB C 24 68.920 63.937 4.983 1
1 267 . 2 1 1 A 24 24 SER N N 24 122.433 118.416 4.017 1
1 268 . 2 1 1 A 25 25 LYS H H 25 8.323 8.520 -0.197 1
1 269 . 2 1 1 A 25 25 LYS HA H 25 4.137 4.625 -0.488 1
1 276 . 2 1 1 A 25 25 LYS C C 25 177.462 175.247 2.215 1
1 277 . 2 1 1 A 25 25 LYS CA C 25 55.504 55.772 -0.268 1
1 278 . 2 1 1 A 25 25 LYS CB C 25 32.155 32.616 -0.461 1
1 281 . 2 1 1 A 25 25 LYS N N 25 121.718 126.534 -4.816 1
1 282 . 2 1 1 A 26 26 ALA H H 26 8.333 8.794 -0.461 1
1 283 . 2 1 1 A 26 26 ALA HA H 26 4.334 5.607 -1.273 1
1 287 . 2 1 1 A 26 26 ALA CA C 26 51.512 50.449 1.063 1
1 288 . 2 1 1 A 26 26 ALA CB C 26 18.486 20.790 -2.304 1
1 289 . 2 1 1 A 26 26 ALA N N 26 125.817 128.670 -2.853 1
1 290 . 2 1 1 A 27 27 LYS H H 27 8.347 8.592 -0.245 1
1 291 . 2 1 1 A 27 27 LYS HA H 27 4.354 5.025 -0.671 1
1 300 . 2 1 1 A 27 27 LYS C C 27 177.923 175.409 2.514 1
1 301 . 2 1 1 A 27 27 LYS CA C 27 55.413 54.548 0.865 1
1 302 . 2 1 1 A 27 27 LYS CB C 27 32.162 35.250 -3.088 1
1 306 . 2 1 1 A 27 27 LYS N N 27 121.810 122.619 -0.809 1
1 307 . 2 1 1 A 28 28 ARG H H 28 8.440 8.529 -0.089 1
1 308 . 2 1 1 A 28 28 ARG HA H 28 4.672 5.120 -0.448 1
1 315 . 2 1 1 A 28 28 ARG C C 28 177.474 175.628 1.846 1
1 316 . 2 1 1 A 28 28 ARG CA C 28 55.140 54.969 0.171 1
1 317 . 2 1 1 A 28 28 ARG CB C 28 28.508 31.352 -2.844 1
1 318 . 2 1 1 A 28 28 ARG N N 28 122.679 123.753 -1.074 1
1 319 . 2 1 1 A 29 29 GLU H H 29 8.470 8.436 0.034 1
1 320 . 2 1 1 A 29 29 GLU HA H 29 4.391 5.209 -0.818 1
1 325 . 2 1 1 A 29 29 GLU C C 29 177.057 175.461 1.596 1
1 326 . 2 1 1 A 29 29 GLU CA C 29 55.634 54.675 0.959 1
1 327 . 2 1 1 A 29 29 GLU CB C 29 32.461 33.436 -0.975 1
1 329 . 2 1 1 A 29 29 GLU N N 29 124.395 123.344 1.051 1
1 330 . 2 1 1 A 30 30 ALA H H 30 8.485 8.830 -0.345 1
1 331 . 2 1 1 A 30 30 ALA HA H 30 4.652 4.652 0.000 1
1 335 . 2 1 1 A 30 30 ALA CA C 30 49.523 50.073 -0.550 1
1 336 . 2 1 1 A 30 30 ALA CB C 30 17.328 19.726 -2.398 1
1 337 . 2 1 1 A 30 30 ALA N N 30 128.118 127.014 1.104 1
1 338 . 2 1 1 A 31 31 PRO HA H 31 4.440 4.704 -0.264 1
1 345 . 2 1 1 A 31 31 PRO C C 31 177.612 176.404 1.208 1
1 346 . 2 1 1 A 31 31 PRO CA C 31 61.605 62.421 -0.816 1
1 347 . 2 1 1 A 31 31 PRO CB C 31 31.616 33.020 -1.404 1
1 348 . 2 1 1 A 32 32 ILE H H 32 8.202 8.217 -0.015 1
1 349 . 2 1 1 A 32 32 ILE HA H 32 3.503 4.531 -1.028 1
1 359 . 2 1 1 A 32 32 ILE C C 32 176.061 176.297 -0.236 1
1 360 . 2 1 1 A 32 32 ILE CA C 32 60.929 59.355 1.574 1
1 361 . 2 1 1 A 32 32 ILE CB C 32 37.219 40.090 -2.871 1
1 365 . 2 1 1 A 32 32 ILE N N 32 121.270 118.585 2.685 1
1 366 . 2 1 1 A 33 33 LYS H H 33 7.434 9.407 -1.973 1
1 367 . 2 1 1 A 33 33 LYS HA H 33 4.370 4.465 -0.095 1
1 376 . 2 1 1 A 33 33 LYS C C 33 176.960 177.666 -0.706 1
1 377 . 2 1 1 A 33 33 LYS CA C 33 56.553 59.038 -2.485 1
1 378 . 2 1 1 A 33 33 LYS CB C 33 35.043 32.510 2.533 1
1 382 . 2 1 1 A 33 33 LYS N N 33 126.133 124.678 1.455 1
1 383 . 2 1 1 A 34 34 TYR H H 34 7.974 8.521 -0.547 1
1 384 . 2 1 1 A 34 34 TYR HA H 34 4.551 4.435 0.116 1
1 389 . 2 1 1 A 34 34 TYR CA C 34 57.337 61.766 -4.429 1
1 390 . 2 1 1 A 34 34 TYR CB C 34 38.051 38.636 -0.585 1
1 393 . 2 1 1 A 34 34 TYR N N 34 121.936 120.634 1.302 1
1 394 . 2 1 1 A 35 35 TRP H H 35 7.912 8.083 -0.171 1
1 395 . 2 1 1 A 35 35 TRP HA H 35 4.687 4.527 0.160 1
1 403 . 2 1 1 A 35 35 TRP C C 35 171.862 175.783 -3.921 1
1 404 . 2 1 1 A 35 35 TRP CA C 35 56.720 60.222 -3.502 1
1 405 . 2 1 1 A 35 35 TRP CB C 35 28.638 30.881 -2.243 1
1 410 . 2 1 1 A 35 35 TRP N N 35 122.844 121.843 1.001 1
1 412 . 2 1 1 A 36 36 LEU H H 36 7.598 8.006 -0.408 1
1 413 . 2 1 1 A 36 36 LEU HA H 36 4.028 4.731 -0.703 1
1 423 . 2 1 1 A 36 36 LEU CA C 36 47.586 51.342 -3.756 1
1 424 . 2 1 1 A 36 36 LEU CB C 36 39.448 43.580 -4.132 1
1 428 . 2 1 1 A 36 36 LEU N N 36 117.117 118.069 -0.952 1
1 429 . 2 1 1 A 37 37 PRO HA H 37 4.340 4.563 -0.223 1
1 436 . 2 1 1 A 37 37 PRO C C 37 175.850 176.265 -0.415 1
1 437 . 2 1 1 A 37 37 PRO CA C 37 62.513 64.445 -1.932 1
1 438 . 2 1 1 A 37 37 PRO CB C 37 31.510 31.763 -0.253 1
1 439 . 2 1 1 A 38 38 HIS H H 38 7.704 7.832 -0.128 1
1 440 . 2 1 1 A 38 38 HIS HA H 38 4.366 4.986 -0.620 1
1 445 . 2 1 1 A 38 38 HIS C C 38 176.772 173.495 3.277 1
1 446 . 2 1 1 A 38 38 HIS CA C 38 56.604 53.974 2.630 1
1 447 . 2 1 1 A 38 38 HIS CB C 38 28.736 31.307 -2.571 1
1 450 . 2 1 1 A 38 38 HIS N N 38 111.845 116.178 -4.333 1
1 451 . 2 1 1 A 39 39 SER H H 39 6.451 8.799 -2.348 1
1 452 . 2 1 1 A 39 39 SER HA H 39 4.620 4.453 0.167 1
1 455 . 2 1 1 A 39 39 SER C C 39 176.576 174.557 2.019 1
1 456 . 2 1 1 A 39 39 SER CA C 39 56.604 59.197 -2.593 1
1 457 . 2 1 1 A 39 39 SER CB C 39 65.579 62.929 2.650 1
1 458 . 2 1 1 A 39 39 SER N N 39 113.386 120.102 -6.716 1
1 459 . 2 1 1 A 40 40 GLY H H 40 8.420 8.122 0.298 1
1 460 . 2 1 1 A 40 40 GLY HA2 H 40 4.346 4.211 0.135 1
1 461 . 2 1 1 A 40 40 GLY HA3 H 40 3.741 4.234 -0.493 1
1 462 . 2 1 1 A 40 40 GLY C C 40 176.997 173.509 3.488 1
1 463 . 2 1 1 A 40 40 GLY CA C 40 44.153 45.495 -1.342 1
1 464 . 2 1 1 A 40 40 GLY N N 40 113.160 111.797 1.363 1
1 465 . 2 1 1 A 41 41 ALA H H 41 7.187 8.222 -1.035 1
1 466 . 2 1 1 A 41 41 ALA HA H 41 4.397 5.242 -0.845 1
1 470 . 2 1 1 A 41 41 ALA C C 41 177.989 175.554 2.435 1
1 471 . 2 1 1 A 41 41 ALA CA C 41 51.533 50.615 0.918 1
1 472 . 2 1 1 A 41 41 ALA CB C 41 17.990 21.567 -3.577 1
1 473 . 2 1 1 A 41 41 ALA N N 41 123.786 125.357 -1.571 1
1 474 . 2 1 1 A 42 42 THR H H 42 8.358 8.863 -0.505 1
1 475 . 2 1 1 A 42 42 THR HA H 42 5.612 5.031 0.581 1
1 480 . 2 1 1 A 42 42 THR C C 42 175.505 173.042 2.463 1
1 481 . 2 1 1 A 42 42 THR CA C 42 58.816 61.033 -2.217 1
1 482 . 2 1 1 A 42 42 THR CB C 42 71.944 69.751 2.193 1
1 484 . 2 1 1 A 42 42 THR N N 42 108.609 118.335 -9.726 1
1 485 . 2 1 1 A 43 43 TRP H H 43 8.625 8.714 -0.089 1
1 486 . 2 1 1 A 43 43 TRP HA H 43 5.338 5.395 -0.057 1
1 494 . 2 1 1 A 43 43 TRP C C 43 177.892 174.529 3.363 1
1 495 . 2 1 1 A 43 43 TRP CA C 43 54.345 54.751 -0.406 1
1 496 . 2 1 1 A 43 43 TRP CB C 43 31.571 31.378 0.193 1
1 501 . 2 1 1 A 43 43 TRP N N 43 117.778 132.022 -14.244 1
1 503 . 2 1 1 A 44 44 SER H H 44 8.451 9.003 -0.552 1
1 504 . 2 1 1 A 44 44 SER HA H 44 4.498 5.080 -0.582 1
1 507 . 2 1 1 A 44 44 SER C C 44 175.850 174.760 1.090 1
1 508 . 2 1 1 A 44 44 SER CA C 44 57.363 57.669 -0.306 1
1 509 . 2 1 1 A 44 44 SER CB C 44 62.550 63.096 -0.546 1
1 510 . 2 1 1 A 44 44 SER N N 44 117.818 124.170 -6.352 1
1 511 . 2 1 1 A 45 45 GLY H H 45 7.513 8.204 -0.691 1
1 512 . 2 1 1 A 45 45 GLY HA2 H 45 4.344 4.214 0.130 1
1 513 . 2 1 1 A 45 45 GLY HA3 H 45 3.775 4.314 -0.539 1
1 514 . 2 1 1 A 45 45 GLY C C 45 172.858 173.324 -0.466 1
1 515 . 2 1 1 A 45 45 GLY CA C 45 44.312 46.089 -1.777 1
1 516 . 2 1 1 A 45 45 GLY N N 45 111.146 111.948 -0.802 1
1 517 . 2 1 1 A 46 46 ARG H H 46 8.534 8.010 0.524 1
1 518 . 2 1 1 A 46 46 ARG HA H 46 4.632 4.160 0.472 1
1 525 . 2 1 1 A 46 46 ARG C C 46 177.983 175.768 2.215 1
1 526 . 2 1 1 A 46 46 ARG CA C 46 53.530 55.355 -1.825 1
1 527 . 2 1 1 A 46 46 ARG CB C 46 31.064 30.388 0.676 1
1 530 . 2 1 1 A 46 46 ARG N N 46 120.921 124.193 -3.272 1
1 531 . 2 1 1 A 47 47 GLY H H 47 8.864 8.679 0.185 1
1 532 . 2 1 1 A 47 47 GLY HA2 H 47 3.919 3.759 0.160 1
1 533 . 2 1 1 A 47 47 GLY HA3 H 47 4.336 3.785 0.551 1
1 534 . 2 1 1 A 47 47 GLY C C 47 177.440 173.934 3.506 1
1 535 . 2 1 1 A 47 47 GLY CA C 47 44.060 46.379 -2.319 1
1 536 . 2 1 1 A 47 47 GLY N N 47 111.872 113.112 -1.240 1
1 537 . 2 1 1 A 48 48 LYS H H 48 7.752 7.657 0.095 1
1 538 . 2 1 1 A 48 48 LYS HA H 48 4.274 4.334 -0.060 1
1 547 . 2 1 1 A 48 48 LYS C C 48 178.053 175.716 2.337 1
1 548 . 2 1 1 A 48 48 LYS CA C 48 55.302 55.703 -0.401 1
1 549 . 2 1 1 A 48 48 LYS CB C 48 32.162 32.394 -0.232 1
1 550 . 2 1 1 A 48 48 LYS N N 48 125.971 121.777 4.194 1
1 551 . 2 1 1 A 49 49 ILE H H 49 8.236 8.525 -0.289 1
1 552 . 2 1 1 A 49 49 ILE HA H 49 2.797 4.725 -1.928 1
1 562 . 2 1 1 A 49 49 ILE CA C 49 58.222 57.832 0.390 1
1 563 . 2 1 1 A 49 49 ILE CB C 49 37.578 39.891 -2.313 1
1 567 . 2 1 1 A 49 49 ILE N N 49 126.182 125.082 1.100 1
1 568 . 2 1 1 A 50 50 PRO HA H 50 4.344 4.601 -0.257 1
1 571 . 2 1 1 A 50 50 PRO C C 50 178.547 176.949 1.598 1
1 572 . 2 1 1 A 50 50 PRO CA C 50 60.998 62.793 -1.795 1
1 573 . 2 1 1 A 50 50 PRO CB C 50 32.796 29.813 2.983 1
1 575 . 2 1 1 A 51 51 LYS H H 51 9.065 8.029 1.036 1
1 576 . 2 1 1 A 51 51 LYS HA H 51 4.870 4.079 0.791 1
1 581 . 2 1 1 A 51 51 LYS CA C 51 59.788 61.086 -1.298 1
1 582 . 2 1 1 A 51 51 LYS CB C 51 28.838 30.104 -1.266 1
1 583 . 2 1 1 A 51 51 LYS N N 51 125.299 122.258 3.041 1
1 584 . 2 1 1 A 52 52 PRO HA H 52 4.391 4.392 -0.001 1
1 591 . 2 1 1 A 52 52 PRO C C 52 181.184 178.102 3.082 1
1 592 . 2 1 1 A 52 52 PRO CA C 52 64.975 65.233 -0.258 1
1 593 . 2 1 1 A 52 52 PRO CB C 52 30.072 30.963 -0.891 1
1 595 . 2 1 1 A 53 53 PHE H H 53 7.144 7.645 -0.501 1
1 596 . 2 1 1 A 53 53 PHE HA H 53 3.875 4.032 -0.157 1
1 601 . 2 1 1 A 53 53 PHE C C 53 177.838 177.740 0.098 1
1 602 . 2 1 1 A 53 53 PHE CA C 53 60.265 61.560 -1.295 1
1 603 . 2 1 1 A 53 53 PHE CB C 53 37.091 39.381 -2.290 1
1 606 . 2 1 1 A 53 53 PHE N N 53 116.868 118.743 -1.875 1
1 607 . 2 1 1 A 54 54 GLU H H 54 7.788 8.351 -0.563 1
1 608 . 2 1 1 A 54 54 GLU HA H 54 3.997 3.874 0.123 1
1 613 . 2 1 1 A 54 54 GLU C C 54 180.998 178.827 2.171 1
1 614 . 2 1 1 A 54 54 GLU CA C 54 58.691 59.148 -0.457 1
1 615 . 2 1 1 A 54 54 GLU CB C 54 29.328 29.471 -0.143 1
1 617 . 2 1 1 A 54 54 GLU N N 54 120.523 119.303 1.220 1
1 618 . 2 1 1 A 55 55 ALA H H 55 8.379 7.878 0.501 1
1 619 . 2 1 1 A 55 55 ALA HA H 55 4.086 3.987 0.099 1
1 623 . 2 1 1 A 55 55 ALA C C 55 180.899 179.134 1.765 1
1 624 . 2 1 1 A 55 55 ALA CA C 55 53.119 55.072 -1.953 1
1 625 . 2 1 1 A 55 55 ALA CB C 55 17.854 18.343 -0.489 1
1 626 . 2 1 1 A 55 55 ALA N N 55 119.006 121.659 -2.653 1
1 627 . 2 1 1 A 56 56 TRP H H 56 7.575 7.724 -0.149 1
1 628 . 2 1 1 A 56 56 TRP HA H 56 4.616 4.310 0.306 1
1 634 . 2 1 1 A 56 56 TRP C C 56 179.334 177.877 1.457 1
1 635 . 2 1 1 A 56 56 TRP CA C 56 59.039 61.455 -2.416 1
1 636 . 2 1 1 A 56 56 TRP CB C 56 27.791 29.584 -1.793 1
1 639 . 2 1 1 A 56 56 TRP N N 56 119.770 119.955 -0.185 1
1 641 . 2 1 1 A 57 57 ILE H H 57 7.291 8.126 -0.835 1
1 642 . 2 1 1 A 57 57 ILE HA H 57 2.517 3.860 -1.343 1
1 651 . 2 1 1 A 57 57 ILE C C 57 177.768 177.376 0.392 1
1 652 . 2 1 1 A 57 57 ILE CA C 57 62.722 63.793 -1.071 1
1 653 . 2 1 1 A 57 57 ILE CB C 57 36.507 36.904 -0.397 1
1 657 . 2 1 1 A 57 57 ILE N N 57 117.374 118.416 -1.042 1
1 658 . 2 1 1 A 58 58 GLY H H 58 6.565 7.627 -1.062 1
1 659 . 2 1 1 A 58 58 GLY HA2 H 58 3.985 3.836 0.149 1
1 660 . 2 1 1 A 58 58 GLY HA3 H 58 4.069 3.928 0.141 1
1 661 . 2 1 1 A 58 58 GLY C C 58 178.787 175.513 3.274 1
1 662 . 2 1 1 A 58 58 GLY CA C 58 43.958 45.567 -1.609 1
1 663 . 2 1 1 A 58 58 GLY N N 58 110.422 109.867 0.555 1
1 664 . 2 1 1 A 59 59 THR H H 59 7.629 7.973 -0.344 1
1 665 . 2 1 1 A 59 59 THR HA H 59 4.554 3.876 0.678 1
1 670 . 2 1 1 A 59 59 THR CA C 59 60.466 65.198 -4.732 1
1 671 . 2 1 1 A 59 59 THR CB C 59 71.728 68.294 3.434 1
1 672 . 2 1 1 A 59 59 THR N N 59 111.600 117.147 -5.547 1
1 673 . 2 1 1 A 60 60 ALA H H 60 9.010 7.205 1.805 1
1 674 . 2 1 1 A 60 60 ALA HA H 60 4.917 4.461 0.456 1
1 678 . 2 1 1 A 60 60 ALA C C 60 182.933 178.517 4.416 1
1 679 . 2 1 1 A 60 60 ALA CA C 60 54.222 52.919 1.303 1
1 680 . 2 1 1 A 60 60 ALA CB C 60 18.122 20.844 -2.722 1
1 681 . 2 1 1 A 60 60 ALA N N 60 125.890 119.655 6.235 1
1 682 . 2 1 1 A 61 61 ALA H H 61 8.368 7.834 0.534 1
1 683 . 2 1 1 A 61 61 ALA HA H 61 4.256 4.062 0.194 1
1 687 . 2 1 1 A 61 61 ALA C C 61 182.536 179.343 3.193 1
1 688 . 2 1 1 A 61 61 ALA CA C 61 54.071 54.720 -0.649 1
1 689 . 2 1 1 A 61 61 ALA CB C 61 18.122 18.249 -0.127 1
1 690 . 2 1 1 A 61 61 ALA N N 61 121.272 120.155 1.117 1
1 691 . 2 1 1 A 62 62 TYR H H 62 7.310 8.115 -0.805 1
1 692 . 2 1 1 A 62 62 TYR HA H 62 3.381 4.081 -0.700 1
1 697 . 2 1 1 A 62 62 TYR C C 62 177.889 177.317 0.572 1
1 698 . 2 1 1 A 62 62 TYR CA C 62 60.203 61.768 -1.565 1
1 699 . 2 1 1 A 62 62 TYR CB C 62 36.771 38.619 -1.848 1
1 702 . 2 1 1 A 62 62 TYR N N 62 122.066 120.782 1.284 1
1 703 . 2 1 1 A 63 63 THR H H 63 8.303 8.283 0.020 1
1 704 . 2 1 1 A 63 63 THR HA H 63 4.405 3.764 0.641 1
1 709 . 2 1 1 A 63 63 THR C C 63 178.200 177.192 1.008 1
1 710 . 2 1 1 A 63 63 THR CA C 63 65.547 65.555 -0.008 1
1 711 . 2 1 1 A 63 63 THR CB C 63 67.470 68.674 -1.204 1
1 712 . 2 1 1 A 63 63 THR N N 63 117.473 114.189 3.284 1
1 713 . 2 1 1 A 64 64 ALA H H 64 7.931 7.592 0.339 1
1 714 . 2 1 1 A 64 64 ALA HA H 64 4.220 4.023 0.197 1
1 718 . 2 1 1 A 64 64 ALA C C 64 181.966 179.237 2.729 1
1 719 . 2 1 1 A 64 64 ALA CA C 64 53.966 54.883 -0.917 1
1 720 . 2 1 1 A 64 64 ALA CB C 64 17.432 18.272 -0.840 1
1 721 . 2 1 1 A 64 64 ALA N N 64 123.649 122.972 0.677 1
1 722 . 2 1 1 A 65 65 TRP H H 65 8.049 8.530 -0.481 1
1 723 . 2 1 1 A 65 65 TRP HA H 65 4.294 4.214 0.080 1
1 729 . 2 1 1 A 65 65 TRP C C 65 181.255 178.650 2.605 1
1 730 . 2 1 1 A 65 65 TRP CA C 65 61.458 61.543 -0.085 1
1 731 . 2 1 1 A 65 65 TRP CB C 65 27.748 29.804 -2.056 1
1 734 . 2 1 1 A 65 65 TRP N N 65 121.372 120.528 0.844 1
1 736 . 2 1 1 A 66 66 LYS H H 66 9.624 8.519 1.105 1
1 737 . 2 1 1 A 66 66 LYS HA H 66 4.352 4.138 0.214 1
1 745 . 2 1 1 A 66 66 LYS C C 66 180.615 178.990 1.625 1
1 746 . 2 1 1 A 66 66 LYS CA C 66 56.030 59.642 -3.612 1
1 747 . 2 1 1 A 66 66 LYS CB C 66 30.842 31.723 -0.881 1
1 751 . 2 1 1 A 66 66 LYS N N 66 123.631 118.850 4.781 1
1 752 . 2 1 1 A 67 67 ALA H H 67 8.822 7.750 1.072 1
1 753 . 2 1 1 A 67 67 ALA HA H 67 4.027 3.975 0.052 1
1 757 . 2 1 1 A 67 67 ALA C C 67 180.899 179.485 1.414 1
1 758 . 2 1 1 A 67 67 ALA CA C 67 53.759 54.677 -0.918 1
1 759 . 2 1 1 A 67 67 ALA CB C 67 17.534 18.181 -0.647 1
1 760 . 2 1 1 A 67 67 ALA N N 67 120.803 121.770 -0.967 1
1 761 . 2 1 1 A 68 68 LYS H H 68 6.888 7.592 -0.704 1
1 762 . 2 1 1 A 68 68 LYS HA H 68 4.233 4.105 0.128 1
1 771 . 2 1 1 A 68 68 LYS C C 68 175.989 176.224 -0.235 1
1 772 . 2 1 1 A 68 68 LYS CA C 68 54.355 57.559 -3.204 1
1 773 . 2 1 1 A 68 68 LYS CB C 68 33.056 33.295 -0.239 1
1 777 . 2 1 1 A 68 68 LYS N N 68 113.741 114.801 -1.060 1
1 778 . 2 1 1 A 69 69 HIS H H 69 7.111 7.779 -0.668 1
1 779 . 2 1 1 A 69 69 HIS HA H 69 4.768 4.861 -0.093 1
1 784 . 2 1 1 A 69 69 HIS CA C 69 52.654 53.592 -0.938 1
1 785 . 2 1 1 A 69 69 HIS CB C 69 27.381 32.209 -4.828 1
1 788 . 2 1 1 A 69 69 HIS N N 69 120.596 116.264 4.332 1
1 789 . 2 1 1 A 70 70 PRO HA H 70 4.230 4.385 -0.155 1
1 796 . 2 1 1 A 70 70 PRO C C 70 179.651 176.866 2.785 1
1 797 . 2 1 1 A 70 70 PRO CA C 70 64.184 66.026 -1.842 1
1 798 . 2 1 1 A 70 70 PRO CB C 70 30.854 31.720 -0.866 1
1 800 . 2 1 1 A 71 71 ASP H H 71 8.619 8.122 0.497 1
1 801 . 2 1 1 A 71 71 ASP HA H 71 4.917 5.040 -0.123 1
1 804 . 2 1 1 A 71 71 ASP C C 71 177.057 176.095 0.962 1
1 805 . 2 1 1 A 71 71 ASP CA C 71 52.975 52.821 0.154 1
1 806 . 2 1 1 A 71 71 ASP CB C 71 40.475 41.215 -0.740 1
1 807 . 2 1 1 A 71 71 ASP N N 71 116.294 116.507 -0.213 1
1 808 . 2 1 1 A 72 72 GLU H H 72 7.389 8.424 -1.035 1
1 809 . 2 1 1 A 72 72 GLU HA H 72 4.920 4.330 0.590 1
1 814 . 2 1 1 A 72 72 GLU C C 72 176.986 177.183 -0.197 1
1 815 . 2 1 1 A 72 72 GLU CA C 72 54.236 58.148 -3.912 1
1 816 . 2 1 1 A 72 72 GLU CB C 72 33.622 30.509 3.113 1
1 818 . 2 1 1 A 72 72 GLU N N 72 120.136 125.408 -5.272 1
1 819 . 2 1 1 A 73 73 LYS H H 73 9.155 7.765 1.390 1
1 820 . 2 1 1 A 73 73 LYS HA H 73 4.245 4.309 -0.064 1
1 829 . 2 1 1 A 73 73 LYS C C 73 176.680 176.542 0.138 1
1 830 . 2 1 1 A 73 73 LYS CA C 73 57.999 55.663 2.336 1
1 831 . 2 1 1 A 73 73 LYS CB C 73 33.418 32.727 0.691 1
1 835 . 2 1 1 A 73 73 LYS N N 73 121.554 121.498 0.056 1
1 836 . 2 1 1 A 74 74 PHE H H 74 7.171 8.395 -1.224 1
1 837 . 2 1 1 A 74 74 PHE HA H 74 4.600 4.435 0.165 1
1 843 . 2 1 1 A 74 74 PHE CA C 74 55.159 57.448 -2.289 1
1 844 . 2 1 1 A 74 74 PHE CB C 74 40.451 39.987 0.464 1
1 848 . 2 1 1 A 74 74 PHE N N 74 111.944 127.203 -15.259 1
1 849 . 2 1 1 A 75 75 PRO HA H 75 4.640 4.329 0.311 1
1 856 . 2 1 1 A 75 75 PRO C C 75 176.914 174.773 2.141 1
1 857 . 2 1 1 A 75 75 PRO CA C 75 62.713 61.917 0.796 1
1 858 . 2 1 1 A 75 75 PRO CB C 75 30.073 28.874 1.199 1
1 860 . 2 1 1 A 76 76 ALA H H 76 9.039 8.456 0.583 1
1 861 . 2 1 1 A 76 76 ALA HA H 76 4.870 5.184 -0.314 1
1 865 . 2 1 1 A 76 76 ALA C C 76 179.974 177.112 2.862 1
1 866 . 2 1 1 A 76 76 ALA CA C 76 50.923 50.929 -0.006 1
1 867 . 2 1 1 A 76 76 ALA CB C 76 18.130 20.985 -2.855 1
1 868 . 2 1 1 A 76 76 ALA N N 76 128.387 124.861 3.526 1
1 869 . 2 1 1 A 77 77 PHE H H 77 8.117 8.834 -0.717 1
1 870 . 2 1 1 A 77 77 PHE HA H 77 4.915 5.222 -0.307 1
1 875 . 2 1 1 A 77 77 PHE CA C 77 53.371 54.783 -1.412 1
1 876 . 2 1 1 A 77 77 PHE CB C 77 36.523 41.595 -5.072 1
1 878 . 2 1 1 A 77 77 PHE N N 77 125.115 118.338 6.777 1
1 879 . 2 1 1 A 78 78 PRO HA H 78 4.245 4.806 -0.561 1
1 886 . 2 1 1 A 78 78 PRO C C 78 176.487 175.883 0.604 1
1 887 . 2 1 1 A 78 78 PRO CA C 78 62.480 62.322 0.158 1
1 888 . 2 1 1 A 78 78 PRO CB C 78 30.324 30.890 -0.566 1
1 13 . 3 1 1 A 2 2 ASN H H 2 9.438 9.046 0.392 1
1 14 . 3 1 1 A 2 2 ASN HA H 2 5.912 4.614 1.298 1
1 19 . 3 1 1 A 2 2 ASN C C 2 175.436 176.155 -0.719 1
1 20 . 3 1 1 A 2 2 ASN CA C 2 54.299 56.503 -2.204 1
1 21 . 3 1 1 A 2 2 ASN CB C 2 38.092 38.653 -0.561 1
1 22 . 3 1 1 A 2 2 ASN N N 2 121.344 120.551 0.793 1
1 24 . 3 1 1 A 3 3 VAL H H 3 8.328 7.600 0.728 1
1 25 . 3 1 1 A 3 3 VAL HA H 3 4.161 4.298 -0.137 1
1 30 . 3 1 1 A 3 3 VAL C C 3 178.200 175.319 2.881 1
1 31 . 3 1 1 A 3 3 VAL CA C 3 61.577 62.960 -1.383 1
1 32 . 3 1 1 A 3 3 VAL CB C 3 32.162 31.881 0.281 1
1 34 . 3 1 1 A 3 3 VAL N N 3 122.195 119.213 2.982 1
1 35 . 3 1 1 A 4 4 LYS H H 4 8.474 8.265 0.209 1
1 36 . 3 1 1 A 4 4 LYS HA H 4 4.283 4.822 -0.539 1
1 44 . 3 1 1 A 4 4 LYS C C 4 177.509 174.762 2.747 1
1 45 . 3 1 1 A 4 4 LYS CA C 4 55.197 54.911 0.286 1
1 46 . 3 1 1 A 4 4 LYS CB C 4 30.194 36.074 -5.880 1
1 47 . 3 1 1 A 4 4 LYS N N 4 122.239 129.331 -7.092 1
1 48 . 3 1 1 A 5 5 GLN H H 5 8.507 8.552 -0.045 1
1 49 . 3 1 1 A 5 5 GLN HA H 5 4.383 4.430 -0.047 1
1 56 . 3 1 1 A 5 5 GLN C C 5 177.440 176.404 1.036 1
1 57 . 3 1 1 A 5 5 GLN CA C 5 55.081 56.032 -0.951 1
1 58 . 3 1 1 A 5 5 GLN CB C 5 29.505 29.733 -0.228 1
1 60 . 3 1 1 A 5 5 GLN N N 5 123.847 125.806 -1.959 1
1 62 . 3 1 1 A 6 6 LYS H H 6 8.407 8.553 -0.146 1
1 63 . 3 1 1 A 6 6 LYS HA H 6 4.392 4.624 -0.232 1
1 72 . 3 1 1 A 6 6 LYS C C 6 178.373 175.631 2.742 1
1 73 . 3 1 1 A 6 6 LYS CA C 6 61.491 56.176 5.315 1
1 74 . 3 1 1 A 6 6 LYS CB C 6 31.993 34.125 -2.132 1
1 78 . 3 1 1 A 6 6 LYS N N 6 123.099 121.470 1.629 1
1 79 . 3 1 1 A 7 7 SER H H 7 8.516 8.923 -0.407 1
1 80 . 3 1 1 A 7 7 SER HA H 7 4.483 5.070 -0.587 1
1 83 . 3 1 1 A 7 7 SER C C 7 175.401 173.716 1.685 1
1 84 . 3 1 1 A 7 7 SER CA C 7 57.370 57.968 -0.598 1
1 85 . 3 1 1 A 7 7 SER CB C 7 62.979 64.684 -1.705 1
1 86 . 3 1 1 A 7 7 SER N N 7 117.184 118.611 -1.427 1
1 87 . 3 1 1 A 8 8 GLU H H 8 8.548 9.073 -0.525 1
1 88 . 3 1 1 A 8 8 GLU HA H 8 4.397 5.032 -0.635 1
1 93 . 3 1 1 A 8 8 GLU C C 8 177.785 175.336 2.449 1
1 94 . 3 1 1 A 8 8 GLU CA C 8 55.856 55.381 0.475 1
1 95 . 3 1 1 A 8 8 GLU CB C 8 29.726 30.192 -0.466 1
1 97 . 3 1 1 A 8 8 GLU N N 8 123.697 125.009 -1.312 1
1 98 . 3 1 1 A 9 9 ILE H H 9 8.279 8.863 -0.584 1
1 99 . 3 1 1 A 9 9 ILE HA H 9 4.276 4.607 -0.331 1
1 109 . 3 1 1 A 9 9 ILE C C 9 177.958 175.894 2.064 1
1 110 . 3 1 1 A 9 9 ILE CA C 9 60.538 60.110 0.428 1
1 111 . 3 1 1 A 9 9 ILE CB C 9 37.725 40.495 -2.770 1
1 115 . 3 1 1 A 9 9 ILE N N 9 122.616 125.259 -2.643 1
1 116 . 3 1 1 A 10 10 THR H H 10 8.255 8.684 -0.429 1
1 117 . 3 1 1 A 10 10 THR HA H 10 4.592 4.423 0.169 1
1 122 . 3 1 1 A 10 10 THR C C 10 174.993 174.108 0.885 1
1 123 . 3 1 1 A 10 10 THR CA C 10 61.010 62.534 -1.524 1
1 124 . 3 1 1 A 10 10 THR CB C 10 68.505 69.569 -1.064 1
1 126 . 3 1 1 A 10 10 THR N N 10 119.401 121.645 -2.244 1
1 127 . 3 1 1 A 11 11 ALA H H 11 8.308 8.289 0.019 1
1 128 . 3 1 1 A 11 11 ALA HA H 11 4.400 4.306 0.094 1
1 132 . 3 1 1 A 11 11 ALA C C 11 178.822 176.718 2.104 1
1 133 . 3 1 1 A 11 11 ALA CA C 11 51.438 52.694 -1.256 1
1 134 . 3 1 1 A 11 11 ALA CB C 11 18.303 19.055 -0.752 1
1 135 . 3 1 1 A 11 11 ALA N N 11 127.285 126.914 0.371 1
1 136 . 3 1 1 A 12 12 LEU H H 12 8.228 8.703 -0.475 1
1 137 . 3 1 1 A 12 12 LEU HA H 12 4.457 5.021 -0.564 1
1 147 . 3 1 1 A 12 12 LEU C C 12 178.787 176.066 2.721 1
1 148 . 3 1 1 A 12 12 LEU CA C 12 54.261 53.283 0.978 1
1 149 . 3 1 1 A 12 12 LEU CB C 12 41.457 45.040 -3.583 1
1 152 . 3 1 1 A 12 12 LEU N N 12 122.431 125.271 -2.840 1
1 153 . 3 1 1 A 13 13 VAL H H 13 8.171 8.415 -0.244 1
1 154 . 3 1 1 A 13 13 VAL HA H 13 4.164 4.094 0.070 1
1 159 . 3 1 1 A 13 13 VAL C C 13 177.412 175.726 1.686 1
1 160 . 3 1 1 A 13 13 VAL CA C 13 61.489 62.234 -0.745 1
1 161 . 3 1 1 A 13 13 VAL CB C 13 31.791 32.689 -0.898 1
1 163 . 3 1 1 A 13 13 VAL N N 13 122.619 122.115 0.504 1
1 164 . 3 1 1 A 14 14 LYS H H 14 8.459 7.881 0.578 1
1 165 . 3 1 1 A 14 14 LYS HA H 14 4.375 4.312 0.063 1
1 174 . 3 1 1 A 14 14 LYS C C 14 177.509 176.479 1.030 1
1 175 . 3 1 1 A 14 14 LYS CA C 14 55.532 56.632 -1.100 1
1 176 . 3 1 1 A 14 14 LYS CB C 14 32.114 33.200 -1.086 1
1 180 . 3 1 1 A 14 14 LYS N N 14 125.566 124.414 1.152 1
1 181 . 3 1 1 A 15 15 GLU H H 15 8.434 8.722 -0.288 1
1 182 . 3 1 1 A 15 15 GLU HA H 15 4.380 4.604 -0.224 1
1 187 . 3 1 1 A 15 15 GLU C C 15 177.440 175.228 2.212 1
1 188 . 3 1 1 A 15 15 GLU CA C 15 55.302 56.322 -1.020 1
1 189 . 3 1 1 A 15 15 GLU CB C 15 29.616 29.974 -0.358 1
1 190 . 3 1 1 A 15 15 GLU N N 15 123.950 125.440 -1.490 1
1 191 . 3 1 1 A 16 16 VAL H H 16 8.326 8.501 -0.175 1
1 192 . 3 1 1 A 16 16 VAL HA H 16 4.205 4.649 -0.444 1
1 197 . 3 1 1 A 16 16 VAL CA C 16 61.613 60.654 0.959 1
1 198 . 3 1 1 A 16 16 VAL CB C 16 32.231 34.985 -2.754 1
1 199 . 3 1 1 A 16 16 VAL N N 16 123.175 124.507 -1.332 1
1 200 . 3 1 1 A 17 17 THR H H 17 8.171 8.791 -0.620 1
1 201 . 3 1 1 A 17 17 THR HA H 17 4.470 4.160 0.310 1
1 206 . 3 1 1 A 17 17 THR CA C 17 57.893 67.404 -9.511 1
1 207 . 3 1 1 A 17 17 THR CB C 17 70.047 67.259 2.788 1
1 208 . 3 1 1 A 17 17 THR N N 17 119.533 120.671 -1.138 1
1 209 . 3 1 1 A 19 19 PRO HA H 19 4.355 4.776 -0.421 1
1 212 . 3 1 1 A 19 19 PRO C C 19 177.057 175.938 1.119 1
1 213 . 3 1 1 A 19 19 PRO CA C 19 61.531 62.471 -0.940 1
1 214 . 3 1 1 A 19 19 PRO CB C 19 31.869 29.463 2.406 1
1 215 . 3 1 1 A 20 20 ARG H H 20 8.435 8.698 -0.263 1
1 216 . 3 1 1 A 20 20 ARG HA H 20 4.391 4.691 -0.300 1
1 223 . 3 1 1 A 20 20 ARG C C 20 177.509 174.197 3.312 1
1 224 . 3 1 1 A 20 20 ARG CA C 20 55.300 55.287 0.013 1
1 225 . 3 1 1 A 20 20 ARG CB C 20 32.492 33.903 -1.411 1
1 228 . 3 1 1 A 20 20 ARG N N 20 126.489 122.638 3.851 1
1 229 . 3 1 1 A 21 21 LYS H H 21 8.426 8.722 -0.296 1
1 230 . 3 1 1 A 21 21 LYS HA H 21 4.397 4.985 -0.588 1
1 239 . 3 1 1 A 21 21 LYS C C 21 177.412 175.509 1.903 1
1 240 . 3 1 1 A 21 21 LYS CA C 21 55.296 54.661 0.635 1
1 241 . 3 1 1 A 21 21 LYS CB C 21 29.837 35.161 -5.324 1
1 244 . 3 1 1 A 21 21 LYS N N 21 123.626 123.910 -0.284 1
1 245 . 3 1 1 A 22 22 ALA H H 22 8.378 8.830 -0.452 1
1 246 . 3 1 1 A 22 22 ALA HA H 22 4.628 4.660 -0.032 1
1 250 . 3 1 1 A 22 22 ALA CA C 22 49.376 50.530 -1.154 1
1 251 . 3 1 1 A 22 22 ALA CB C 22 17.501 18.777 -1.276 1
1 252 . 3 1 1 A 22 22 ALA N N 22 127.197 128.175 -0.978 1
1 253 . 3 1 1 A 23 23 PRO HA H 23 4.219 4.836 -0.617 1
1 257 . 3 1 1 A 23 23 PRO C C 23 177.440 176.104 1.336 1
1 258 . 3 1 1 A 23 23 PRO CA C 23 61.724 62.184 -0.460 1
1 259 . 3 1 1 A 23 23 PRO CB C 23 32.162 29.212 2.950 1
1 260 . 3 1 1 A 24 24 SER H H 24 8.425 8.300 0.125 1
1 261 . 3 1 1 A 24 24 SER HA H 24 4.344 4.610 -0.266 1
1 264 . 3 1 1 A 24 24 SER C C 24 175.610 174.487 1.123 1
1 265 . 3 1 1 A 24 24 SER CA C 24 58.845 57.348 1.497 1
1 266 . 3 1 1 A 24 24 SER CB C 24 68.920 63.761 5.159 1
1 267 . 3 1 1 A 24 24 SER N N 24 122.433 114.694 7.739 1
1 268 . 3 1 1 A 25 25 LYS H H 25 8.323 8.505 -0.182 1
1 269 . 3 1 1 A 25 25 LYS HA H 25 4.137 4.497 -0.360 1
1 276 . 3 1 1 A 25 25 LYS C C 25 177.462 175.035 2.427 1
1 277 . 3 1 1 A 25 25 LYS CA C 25 55.504 55.943 -0.439 1
1 278 . 3 1 1 A 25 25 LYS CB C 25 32.155 32.286 -0.131 1
1 281 . 3 1 1 A 25 25 LYS N N 25 121.718 124.920 -3.202 1
1 282 . 3 1 1 A 26 26 ALA H H 26 8.333 8.436 -0.103 1
1 283 . 3 1 1 A 26 26 ALA HA H 26 4.334 5.709 -1.375 1
1 287 . 3 1 1 A 26 26 ALA CA C 26 51.512 50.249 1.263 1
1 288 . 3 1 1 A 26 26 ALA CB C 26 18.486 21.709 -3.223 1
1 289 . 3 1 1 A 26 26 ALA N N 26 125.817 128.544 -2.727 1
1 290 . 3 1 1 A 27 27 LYS H H 27 8.347 8.834 -0.487 1
1 291 . 3 1 1 A 27 27 LYS HA H 27 4.354 5.024 -0.670 1
1 300 . 3 1 1 A 27 27 LYS C C 27 177.923 175.465 2.458 1
1 301 . 3 1 1 A 27 27 LYS CA C 27 55.413 54.809 0.604 1
1 302 . 3 1 1 A 27 27 LYS CB C 27 32.162 35.695 -3.533 1
1 306 . 3 1 1 A 27 27 LYS N N 27 121.810 122.595 -0.785 1
1 307 . 3 1 1 A 28 28 ARG H H 28 8.440 8.466 -0.026 1
1 308 . 3 1 1 A 28 28 ARG HA H 28 4.672 5.182 -0.510 1
1 315 . 3 1 1 A 28 28 ARG C C 28 177.474 175.241 2.233 1
1 316 . 3 1 1 A 28 28 ARG CA C 28 55.140 54.819 0.321 1
1 317 . 3 1 1 A 28 28 ARG CB C 28 28.508 31.977 -3.469 1
1 318 . 3 1 1 A 28 28 ARG N N 28 122.679 124.185 -1.506 1
1 319 . 3 1 1 A 29 29 GLU H H 29 8.470 8.481 -0.011 1
1 320 . 3 1 1 A 29 29 GLU HA H 29 4.391 5.265 -0.874 1
1 325 . 3 1 1 A 29 29 GLU C C 29 177.057 175.638 1.419 1
1 326 . 3 1 1 A 29 29 GLU CA C 29 55.634 54.539 1.095 1
1 327 . 3 1 1 A 29 29 GLU CB C 29 32.461 33.548 -1.087 1
1 329 . 3 1 1 A 29 29 GLU N N 29 124.395 123.383 1.012 1
1 330 . 3 1 1 A 30 30 ALA H H 30 8.485 8.476 0.009 1
1 331 . 3 1 1 A 30 30 ALA HA H 30 4.652 4.594 0.058 1
1 335 . 3 1 1 A 30 30 ALA CA C 30 49.523 50.325 -0.802 1
1 336 . 3 1 1 A 30 30 ALA CB C 30 17.328 19.782 -2.454 1
1 337 . 3 1 1 A 30 30 ALA N N 30 128.118 126.885 1.233 1
1 338 . 3 1 1 A 31 31 PRO HA H 31 4.440 4.747 -0.307 1
1 345 . 3 1 1 A 31 31 PRO C C 31 177.612 176.133 1.479 1
1 346 . 3 1 1 A 31 31 PRO CA C 31 61.605 62.679 -1.074 1
1 347 . 3 1 1 A 31 31 PRO CB C 31 31.616 32.948 -1.332 1
1 348 . 3 1 1 A 32 32 ILE H H 32 8.202 8.136 0.066 1
1 349 . 3 1 1 A 32 32 ILE HA H 32 3.503 4.513 -1.010 1
1 359 . 3 1 1 A 32 32 ILE C C 32 176.061 176.423 -0.362 1
1 360 . 3 1 1 A 32 32 ILE CA C 32 60.929 59.525 1.404 1
1 361 . 3 1 1 A 32 32 ILE CB C 32 37.219 40.017 -2.798 1
1 365 . 3 1 1 A 32 32 ILE N N 32 121.270 118.145 3.125 1
1 366 . 3 1 1 A 33 33 LYS H H 33 7.434 9.376 -1.942 1
1 367 . 3 1 1 A 33 33 LYS HA H 33 4.370 4.363 0.007 1
1 376 . 3 1 1 A 33 33 LYS C C 33 176.960 177.384 -0.424 1
1 377 . 3 1 1 A 33 33 LYS CA C 33 56.553 59.283 -2.730 1
1 378 . 3 1 1 A 33 33 LYS CB C 33 35.043 32.405 2.638 1
1 382 . 3 1 1 A 33 33 LYS N N 33 126.133 124.625 1.508 1
1 383 . 3 1 1 A 34 34 TYR H H 34 7.974 8.374 -0.400 1
1 384 . 3 1 1 A 34 34 TYR HA H 34 4.551 4.207 0.344 1
1 389 . 3 1 1 A 34 34 TYR CA C 34 57.337 61.629 -4.292 1
1 390 . 3 1 1 A 34 34 TYR CB C 34 38.051 38.498 -0.447 1
1 393 . 3 1 1 A 34 34 TYR N N 34 121.936 120.354 1.582 1
1 394 . 3 1 1 A 35 35 TRP H H 35 7.912 7.986 -0.074 1
1 395 . 3 1 1 A 35 35 TRP HA H 35 4.687 4.512 0.175 1
1 403 . 3 1 1 A 35 35 TRP C C 35 171.862 175.909 -4.047 1
1 404 . 3 1 1 A 35 35 TRP CA C 35 56.720 59.854 -3.134 1
1 405 . 3 1 1 A 35 35 TRP CB C 35 28.638 30.936 -2.298 1
1 410 . 3 1 1 A 35 35 TRP N N 35 122.844 121.732 1.112 1
1 412 . 3 1 1 A 36 36 LEU H H 36 7.598 8.121 -0.523 1
1 413 . 3 1 1 A 36 36 LEU HA H 36 4.028 4.777 -0.749 1
1 423 . 3 1 1 A 36 36 LEU CA C 36 47.586 51.190 -3.604 1
1 424 . 3 1 1 A 36 36 LEU CB C 36 39.448 43.762 -4.314 1
1 428 . 3 1 1 A 36 36 LEU N N 36 117.117 118.293 -1.176 1
1 429 . 3 1 1 A 37 37 PRO HA H 37 4.340 4.550 -0.210 1
1 436 . 3 1 1 A 37 37 PRO C C 37 175.850 176.258 -0.408 1
1 437 . 3 1 1 A 37 37 PRO CA C 37 62.513 64.488 -1.975 1
1 438 . 3 1 1 A 37 37 PRO CB C 37 31.510 31.837 -0.327 1
1 439 . 3 1 1 A 38 38 HIS H H 38 7.704 7.844 -0.140 1
1 440 . 3 1 1 A 38 38 HIS HA H 38 4.366 5.031 -0.665 1
1 445 . 3 1 1 A 38 38 HIS C C 38 176.772 173.581 3.191 1
1 446 . 3 1 1 A 38 38 HIS CA C 38 56.604 54.033 2.571 1
1 447 . 3 1 1 A 38 38 HIS CB C 38 28.736 31.545 -2.809 1
1 450 . 3 1 1 A 38 38 HIS N N 38 111.845 116.543 -4.698 1
1 451 . 3 1 1 A 39 39 SER H H 39 6.451 8.859 -2.408 1
1 452 . 3 1 1 A 39 39 SER HA H 39 4.620 4.722 -0.102 1
1 455 . 3 1 1 A 39 39 SER C C 39 176.576 174.202 2.374 1
1 456 . 3 1 1 A 39 39 SER CA C 39 56.604 58.779 -2.175 1
1 457 . 3 1 1 A 39 39 SER CB C 39 65.579 63.323 2.256 1
1 458 . 3 1 1 A 39 39 SER N N 39 113.386 121.056 -7.670 1
1 459 . 3 1 1 A 40 40 GLY H H 40 8.420 8.552 -0.132 1
1 460 . 3 1 1 A 40 40 GLY HA2 H 40 4.346 4.193 0.153 1
1 461 . 3 1 1 A 40 40 GLY HA3 H 40 3.741 4.222 -0.481 1
1 462 . 3 1 1 A 40 40 GLY C C 40 176.997 173.072 3.925 1
1 463 . 3 1 1 A 40 40 GLY CA C 40 44.153 45.638 -1.485 1
1 464 . 3 1 1 A 40 40 GLY N N 40 113.160 111.771 1.389 1
1 465 . 3 1 1 A 41 41 ALA H H 41 7.187 8.914 -1.727 1
1 466 . 3 1 1 A 41 41 ALA HA H 41 4.397 5.211 -0.814 1
1 470 . 3 1 1 A 41 41 ALA C C 41 177.989 175.889 2.100 1
1 471 . 3 1 1 A 41 41 ALA CA C 41 51.533 50.849 0.684 1
1 472 . 3 1 1 A 41 41 ALA CB C 41 17.990 21.111 -3.121 1
1 473 . 3 1 1 A 41 41 ALA N N 41 123.786 126.274 -2.488 1
1 474 . 3 1 1 A 42 42 THR H H 42 8.358 8.907 -0.549 1
1 475 . 3 1 1 A 42 42 THR HA H 42 5.612 4.800 0.812 1
1 480 . 3 1 1 A 42 42 THR C C 42 175.505 173.314 2.191 1
1 481 . 3 1 1 A 42 42 THR CA C 42 58.816 61.363 -2.547 1
1 482 . 3 1 1 A 42 42 THR CB C 42 71.944 69.126 2.818 1
1 484 . 3 1 1 A 42 42 THR N N 42 108.609 119.062 -10.453 1
1 485 . 3 1 1 A 43 43 TRP H H 43 8.625 8.901 -0.276 1
1 486 . 3 1 1 A 43 43 TRP HA H 43 5.338 5.448 -0.110 1
1 494 . 3 1 1 A 43 43 TRP C C 43 177.892 174.661 3.231 1
1 495 . 3 1 1 A 43 43 TRP CA C 43 54.345 54.796 -0.451 1
1 496 . 3 1 1 A 43 43 TRP CB C 43 31.571 31.596 -0.025 1
1 501 . 3 1 1 A 43 43 TRP N N 43 117.778 132.059 -14.281 1
1 503 . 3 1 1 A 44 44 SER H H 44 8.451 9.101 -0.650 1
1 504 . 3 1 1 A 44 44 SER HA H 44 4.498 4.957 -0.459 1
1 507 . 3 1 1 A 44 44 SER C C 44 175.850 173.843 2.007 1
1 508 . 3 1 1 A 44 44 SER CA C 44 57.363 56.831 0.532 1
1 509 . 3 1 1 A 44 44 SER CB C 44 62.550 64.328 -1.778 1
1 510 . 3 1 1 A 44 44 SER N N 44 117.818 124.405 -6.587 1
1 511 . 3 1 1 A 45 45 GLY H H 45 7.513 8.337 -0.824 1
1 512 . 3 1 1 A 45 45 GLY HA2 H 45 4.344 4.217 0.127 1
1 513 . 3 1 1 A 45 45 GLY HA3 H 45 3.775 4.302 -0.527 1
1 514 . 3 1 1 A 45 45 GLY C C 45 172.858 173.537 -0.679 1
1 515 . 3 1 1 A 45 45 GLY CA C 45 44.312 46.046 -1.734 1
1 516 . 3 1 1 A 45 45 GLY N N 45 111.146 113.894 -2.748 1
1 517 . 3 1 1 A 46 46 ARG H H 46 8.534 8.079 0.455 1
1 518 . 3 1 1 A 46 46 ARG HA H 46 4.632 4.257 0.375 1
1 525 . 3 1 1 A 46 46 ARG C C 46 177.983 176.060 1.923 1
1 526 . 3 1 1 A 46 46 ARG CA C 46 53.530 55.477 -1.947 1
1 527 . 3 1 1 A 46 46 ARG CB C 46 31.064 30.801 0.263 1
1 530 . 3 1 1 A 46 46 ARG N N 46 120.921 124.238 -3.317 1
1 531 . 3 1 1 A 47 47 GLY H H 47 8.864 8.629 0.235 1
1 532 . 3 1 1 A 47 47 GLY HA2 H 47 3.919 3.786 0.133 1
1 533 . 3 1 1 A 47 47 GLY HA3 H 47 4.336 3.805 0.531 1
1 534 . 3 1 1 A 47 47 GLY C C 47 177.440 172.873 4.567 1
1 535 . 3 1 1 A 47 47 GLY CA C 47 44.060 46.410 -2.350 1
1 536 . 3 1 1 A 47 47 GLY N N 47 111.872 112.270 -0.398 1
1 537 . 3 1 1 A 48 48 LYS H H 48 7.752 8.071 -0.319 1
1 538 . 3 1 1 A 48 48 LYS HA H 48 4.274 4.480 -0.206 1
1 547 . 3 1 1 A 48 48 LYS C C 48 178.053 175.015 3.038 1
1 548 . 3 1 1 A 48 48 LYS CA C 48 55.302 55.406 -0.104 1
1 549 . 3 1 1 A 48 48 LYS CB C 48 32.162 32.950 -0.788 1
1 550 . 3 1 1 A 48 48 LYS N N 48 125.971 125.942 0.029 1
1 551 . 3 1 1 A 49 49 ILE H H 49 8.236 8.735 -0.499 1
1 552 . 3 1 1 A 49 49 ILE HA H 49 2.797 4.606 -1.809 1
1 562 . 3 1 1 A 49 49 ILE CA C 49 58.222 57.447 0.775 1
1 563 . 3 1 1 A 49 49 ILE CB C 49 37.578 39.818 -2.240 1
1 567 . 3 1 1 A 49 49 ILE N N 49 126.182 128.436 -2.254 1
1 568 . 3 1 1 A 50 50 PRO HA H 50 4.344 4.583 -0.239 1
1 571 . 3 1 1 A 50 50 PRO C C 50 178.547 176.844 1.703 1
1 572 . 3 1 1 A 50 50 PRO CA C 50 60.998 63.342 -2.344 1
1 573 . 3 1 1 A 50 50 PRO CB C 50 32.796 31.099 1.697 1
1 575 . 3 1 1 A 51 51 LYS H H 51 9.065 8.217 0.848 1
1 576 . 3 1 1 A 51 51 LYS HA H 51 4.870 4.006 0.864 1
1 581 . 3 1 1 A 51 51 LYS CA C 51 59.788 60.268 -0.480 1
1 582 . 3 1 1 A 51 51 LYS CB C 51 28.838 30.919 -2.081 1
1 583 . 3 1 1 A 51 51 LYS N N 51 125.299 120.875 4.424 1
1 584 . 3 1 1 A 52 52 PRO HA H 52 4.391 4.385 0.006 1
1 591 . 3 1 1 A 52 52 PRO C C 52 181.184 179.052 2.132 1
1 592 . 3 1 1 A 52 52 PRO CA C 52 64.975 65.570 -0.595 1
1 593 . 3 1 1 A 52 52 PRO CB C 52 30.072 31.214 -1.142 1
1 595 . 3 1 1 A 53 53 PHE H H 53 7.144 7.607 -0.463 1
1 596 . 3 1 1 A 53 53 PHE HA H 53 3.875 4.021 -0.146 1
1 601 . 3 1 1 A 53 53 PHE C C 53 177.838 177.669 0.169 1
1 602 . 3 1 1 A 53 53 PHE CA C 53 60.265 61.582 -1.317 1
1 603 . 3 1 1 A 53 53 PHE CB C 53 37.091 39.368 -2.277 1
1 606 . 3 1 1 A 53 53 PHE N N 53 116.868 118.525 -1.657 1
1 607 . 3 1 1 A 54 54 GLU H H 54 7.788 8.489 -0.701 1
1 608 . 3 1 1 A 54 54 GLU HA H 54 3.997 3.800 0.197 1
1 613 . 3 1 1 A 54 54 GLU C C 54 180.998 178.551 2.447 1
1 614 . 3 1 1 A 54 54 GLU CA C 54 58.691 59.255 -0.564 1
1 615 . 3 1 1 A 54 54 GLU CB C 54 29.328 29.513 -0.185 1
1 617 . 3 1 1 A 54 54 GLU N N 54 120.523 119.189 1.334 1
1 618 . 3 1 1 A 55 55 ALA H H 55 8.379 7.924 0.455 1
1 619 . 3 1 1 A 55 55 ALA HA H 55 4.086 4.005 0.081 1
1 623 . 3 1 1 A 55 55 ALA C C 55 180.899 179.255 1.644 1
1 624 . 3 1 1 A 55 55 ALA CA C 55 53.119 55.037 -1.918 1
1 625 . 3 1 1 A 55 55 ALA CB C 55 17.854 18.206 -0.352 1
1 626 . 3 1 1 A 55 55 ALA N N 55 119.006 121.270 -2.264 1
1 627 . 3 1 1 A 56 56 TRP H H 56 7.575 7.506 0.069 1
1 628 . 3 1 1 A 56 56 TRP HA H 56 4.616 4.347 0.269 1
1 634 . 3 1 1 A 56 56 TRP C C 56 179.334 177.972 1.362 1
1 635 . 3 1 1 A 56 56 TRP CA C 56 59.039 61.041 -2.002 1
1 636 . 3 1 1 A 56 56 TRP CB C 56 27.791 29.423 -1.632 1
1 639 . 3 1 1 A 56 56 TRP N N 56 119.770 120.042 -0.272 1
1 641 . 3 1 1 A 57 57 ILE H H 57 7.291 7.976 -0.685 1
1 642 . 3 1 1 A 57 57 ILE HA H 57 2.517 3.920 -1.403 1
1 651 . 3 1 1 A 57 57 ILE C C 57 177.768 177.204 0.564 1
1 652 . 3 1 1 A 57 57 ILE CA C 57 62.722 63.236 -0.514 1
1 653 . 3 1 1 A 57 57 ILE CB C 57 36.507 36.984 -0.477 1
1 657 . 3 1 1 A 57 57 ILE N N 57 117.374 118.118 -0.744 1
1 658 . 3 1 1 A 58 58 GLY H H 58 6.565 7.569 -1.004 1
1 659 . 3 1 1 A 58 58 GLY HA2 H 58 3.985 3.867 0.118 1
1 660 . 3 1 1 A 58 58 GLY HA3 H 58 4.069 3.961 0.108 1
1 661 . 3 1 1 A 58 58 GLY C C 58 178.787 175.595 3.192 1
1 662 . 3 1 1 A 58 58 GLY CA C 58 43.958 45.177 -1.219 1
1 663 . 3 1 1 A 58 58 GLY N N 58 110.422 109.159 1.263 1
1 664 . 3 1 1 A 59 59 THR H H 59 7.629 7.505 0.124 1
1 665 . 3 1 1 A 59 59 THR HA H 59 4.554 3.870 0.684 1
1 670 . 3 1 1 A 59 59 THR CA C 59 60.466 65.055 -4.589 1
1 671 . 3 1 1 A 59 59 THR CB C 59 71.728 67.999 3.729 1
1 672 . 3 1 1 A 59 59 THR N N 59 111.600 116.393 -4.793 1
1 673 . 3 1 1 A 60 60 ALA H H 60 9.010 7.344 1.666 1
1 674 . 3 1 1 A 60 60 ALA HA H 60 4.917 4.454 0.463 1
1 678 . 3 1 1 A 60 60 ALA C C 60 182.933 178.221 4.712 1
1 679 . 3 1 1 A 60 60 ALA CA C 60 54.222 53.055 1.167 1
1 680 . 3 1 1 A 60 60 ALA CB C 60 18.122 21.036 -2.914 1
1 681 . 3 1 1 A 60 60 ALA N N 60 125.890 120.062 5.828 1
1 682 . 3 1 1 A 61 61 ALA H H 61 8.368 7.982 0.386 1
1 683 . 3 1 1 A 61 61 ALA HA H 61 4.256 4.086 0.170 1
1 687 . 3 1 1 A 61 61 ALA C C 61 182.536 179.206 3.330 1
1 688 . 3 1 1 A 61 61 ALA CA C 61 54.071 55.076 -1.005 1
1 689 . 3 1 1 A 61 61 ALA CB C 61 18.122 18.309 -0.187 1
1 690 . 3 1 1 A 61 61 ALA N N 61 121.272 120.867 0.405 1
1 691 . 3 1 1 A 62 62 TYR H H 62 7.310 8.352 -1.042 1
1 692 . 3 1 1 A 62 62 TYR HA H 62 3.381 4.073 -0.692 1
1 697 . 3 1 1 A 62 62 TYR C C 62 177.889 177.224 0.665 1
1 698 . 3 1 1 A 62 62 TYR CA C 62 60.203 61.764 -1.561 1
1 699 . 3 1 1 A 62 62 TYR CB C 62 36.771 38.656 -1.885 1
1 702 . 3 1 1 A 62 62 TYR N N 62 122.066 120.594 1.472 1
1 703 . 3 1 1 A 63 63 THR H H 63 8.303 7.889 0.414 1
1 704 . 3 1 1 A 63 63 THR HA H 63 4.405 3.755 0.650 1
1 709 . 3 1 1 A 63 63 THR C C 63 178.200 177.214 0.986 1
1 710 . 3 1 1 A 63 63 THR CA C 63 65.547 65.628 -0.081 1
1 711 . 3 1 1 A 63 63 THR CB C 63 67.470 68.682 -1.212 1
1 712 . 3 1 1 A 63 63 THR N N 63 117.473 114.228 3.245 1
1 713 . 3 1 1 A 64 64 ALA H H 64 7.931 7.534 0.397 1
1 714 . 3 1 1 A 64 64 ALA HA H 64 4.220 4.076 0.144 1
1 718 . 3 1 1 A 64 64 ALA C C 64 181.966 179.641 2.325 1
1 719 . 3 1 1 A 64 64 ALA CA C 64 53.966 54.842 -0.876 1
1 720 . 3 1 1 A 64 64 ALA CB C 64 17.432 18.359 -0.927 1
1 721 . 3 1 1 A 64 64 ALA N N 64 123.649 122.731 0.918 1
1 722 . 3 1 1 A 65 65 TRP H H 65 8.049 8.287 -0.238 1
1 723 . 3 1 1 A 65 65 TRP HA H 65 4.294 4.096 0.198 1
1 729 . 3 1 1 A 65 65 TRP C C 65 181.255 178.719 2.536 1
1 730 . 3 1 1 A 65 65 TRP CA C 65 61.458 61.443 0.015 1
1 731 . 3 1 1 A 65 65 TRP CB C 65 27.748 29.620 -1.872 1
1 734 . 3 1 1 A 65 65 TRP N N 65 121.372 119.975 1.397 1
1 736 . 3 1 1 A 66 66 LYS H H 66 9.624 8.392 1.232 1
1 737 . 3 1 1 A 66 66 LYS HA H 66 4.352 4.116 0.236 1
1 745 . 3 1 1 A 66 66 LYS C C 66 180.615 178.895 1.720 1
1 746 . 3 1 1 A 66 66 LYS CA C 66 56.030 59.620 -3.590 1
1 747 . 3 1 1 A 66 66 LYS CB C 66 30.842 31.858 -1.016 1
1 751 . 3 1 1 A 66 66 LYS N N 66 123.631 118.486 5.145 1
1 752 . 3 1 1 A 67 67 ALA H H 67 8.822 7.667 1.155 1
1 753 . 3 1 1 A 67 67 ALA HA H 67 4.027 3.980 0.047 1
1 757 . 3 1 1 A 67 67 ALA C C 67 180.899 179.914 0.985 1
1 758 . 3 1 1 A 67 67 ALA CA C 67 53.759 54.738 -0.979 1
1 759 . 3 1 1 A 67 67 ALA CB C 67 17.534 18.311 -0.777 1
1 760 . 3 1 1 A 67 67 ALA N N 67 120.803 122.014 -1.211 1
1 761 . 3 1 1 A 68 68 LYS H H 68 6.888 7.629 -0.741 1
1 762 . 3 1 1 A 68 68 LYS HA H 68 4.233 4.260 -0.027 1
1 771 . 3 1 1 A 68 68 LYS C C 68 175.989 176.660 -0.671 1
1 772 . 3 1 1 A 68 68 LYS CA C 68 54.355 57.439 -3.084 1
1 773 . 3 1 1 A 68 68 LYS CB C 68 33.056 33.139 -0.083 1
1 777 . 3 1 1 A 68 68 LYS N N 68 113.741 115.349 -1.608 1
1 778 . 3 1 1 A 69 69 HIS H H 69 7.111 8.086 -0.975 1
1 779 . 3 1 1 A 69 69 HIS HA H 69 4.768 4.944 -0.176 1
1 784 . 3 1 1 A 69 69 HIS CA C 69 52.654 53.669 -1.015 1
1 785 . 3 1 1 A 69 69 HIS CB C 69 27.381 32.291 -4.910 1
1 788 . 3 1 1 A 69 69 HIS N N 69 120.596 115.566 5.030 1
1 789 . 3 1 1 A 70 70 PRO HA H 70 4.230 4.329 -0.099 1
1 796 . 3 1 1 A 70 70 PRO C C 70 179.651 176.785 2.866 1
1 797 . 3 1 1 A 70 70 PRO CA C 70 64.184 65.997 -1.813 1
1 798 . 3 1 1 A 70 70 PRO CB C 70 30.854 31.593 -0.739 1
1 800 . 3 1 1 A 71 71 ASP H H 71 8.619 8.085 0.534 1
1 801 . 3 1 1 A 71 71 ASP HA H 71 4.917 4.948 -0.031 1
1 804 . 3 1 1 A 71 71 ASP C C 71 177.057 176.030 1.027 1
1 805 . 3 1 1 A 71 71 ASP CA C 71 52.975 52.567 0.408 1
1 806 . 3 1 1 A 71 71 ASP CB C 71 40.475 40.654 -0.179 1
1 807 . 3 1 1 A 71 71 ASP N N 71 116.294 116.308 -0.014 1
1 808 . 3 1 1 A 72 72 GLU H H 72 7.389 8.907 -1.518 1
1 809 . 3 1 1 A 72 72 GLU HA H 72 4.920 4.506 0.414 1
1 814 . 3 1 1 A 72 72 GLU C C 72 176.986 176.819 0.167 1
1 815 . 3 1 1 A 72 72 GLU CA C 72 54.236 58.303 -4.067 1
1 816 . 3 1 1 A 72 72 GLU CB C 72 33.622 31.137 2.485 1
1 818 . 3 1 1 A 72 72 GLU N N 72 120.136 126.263 -6.127 1
1 819 . 3 1 1 A 73 73 LYS H H 73 9.155 7.797 1.358 1
1 820 . 3 1 1 A 73 73 LYS HA H 73 4.245 4.253 -0.008 1
1 829 . 3 1 1 A 73 73 LYS C C 73 176.680 176.459 0.221 1
1 830 . 3 1 1 A 73 73 LYS CA C 73 57.999 55.872 2.127 1
1 831 . 3 1 1 A 73 73 LYS CB C 73 33.418 32.731 0.687 1
1 835 . 3 1 1 A 73 73 LYS N N 73 121.554 120.030 1.524 1
1 836 . 3 1 1 A 74 74 PHE H H 74 7.171 8.227 -1.056 1
1 837 . 3 1 1 A 74 74 PHE HA H 74 4.600 4.564 0.036 1
1 843 . 3 1 1 A 74 74 PHE CA C 74 55.159 57.268 -2.109 1
1 844 . 3 1 1 A 74 74 PHE CB C 74 40.451 40.279 0.172 1
1 848 . 3 1 1 A 74 74 PHE N N 74 111.944 127.102 -15.158 1
1 849 . 3 1 1 A 75 75 PRO HA H 75 4.640 4.352 0.288 1
1 856 . 3 1 1 A 75 75 PRO C C 75 176.914 174.789 2.125 1
1 857 . 3 1 1 A 75 75 PRO CA C 75 62.713 62.018 0.695 1
1 858 . 3 1 1 A 75 75 PRO CB C 75 30.073 28.885 1.188 1
1 860 . 3 1 1 A 76 76 ALA H H 76 9.039 8.618 0.421 1
1 861 . 3 1 1 A 76 76 ALA HA H 76 4.870 5.001 -0.131 1
1 865 . 3 1 1 A 76 76 ALA C C 76 179.974 177.295 2.679 1
1 866 . 3 1 1 A 76 76 ALA CA C 76 50.923 50.625 0.298 1
1 867 . 3 1 1 A 76 76 ALA CB C 76 18.130 20.737 -2.607 1
1 868 . 3 1 1 A 76 76 ALA N N 76 128.387 125.229 3.158 1
1 869 . 3 1 1 A 77 77 PHE H H 77 8.117 8.742 -0.625 1
1 870 . 3 1 1 A 77 77 PHE HA H 77 4.915 5.192 -0.277 1
1 875 . 3 1 1 A 77 77 PHE CA C 77 53.371 54.725 -1.354 1
1 876 . 3 1 1 A 77 77 PHE CB C 77 36.523 41.236 -4.713 1
1 878 . 3 1 1 A 77 77 PHE N N 77 125.115 118.892 6.223 1
1 879 . 3 1 1 A 78 78 PRO HA H 78 4.245 4.852 -0.607 1
1 886 . 3 1 1 A 78 78 PRO C C 78 176.487 175.937 0.550 1
1 887 . 3 1 1 A 78 78 PRO CA C 78 62.480 62.363 0.117 1
1 888 . 3 1 1 A 78 78 PRO CB C 78 30.324 31.824 -1.500 1
1 13 . 4 1 1 A 2 2 ASN H H 2 9.438 9.168 0.270 1
1 14 . 4 1 1 A 2 2 ASN HA H 2 5.912 4.564 1.348 1
1 19 . 4 1 1 A 2 2 ASN C C 2 175.436 176.279 -0.843 1
1 20 . 4 1 1 A 2 2 ASN CA C 2 54.299 56.649 -2.350 1
1 21 . 4 1 1 A 2 2 ASN CB C 2 38.092 38.836 -0.744 1
1 22 . 4 1 1 A 2 2 ASN N N 2 121.344 120.528 0.816 1
1 24 . 4 1 1 A 3 3 VAL H H 3 8.328 7.776 0.552 1
1 25 . 4 1 1 A 3 3 VAL HA H 3 4.161 4.750 -0.589 1
1 30 . 4 1 1 A 3 3 VAL C C 3 178.200 175.401 2.799 1
1 31 . 4 1 1 A 3 3 VAL CA C 3 61.577 61.517 0.060 1
1 32 . 4 1 1 A 3 3 VAL CB C 3 32.162 32.897 -0.735 1
1 34 . 4 1 1 A 3 3 VAL N N 3 122.195 118.897 3.298 1
1 35 . 4 1 1 A 4 4 LYS H H 4 8.474 8.584 -0.110 1
1 36 . 4 1 1 A 4 4 LYS HA H 4 4.283 4.921 -0.638 1
1 44 . 4 1 1 A 4 4 LYS C C 4 177.509 175.239 2.270 1
1 45 . 4 1 1 A 4 4 LYS CA C 4 55.197 55.144 0.053 1
1 46 . 4 1 1 A 4 4 LYS CB C 4 30.194 36.241 -6.047 1
1 47 . 4 1 1 A 4 4 LYS N N 4 122.239 129.829 -7.590 1
1 48 . 4 1 1 A 5 5 GLN H H 5 8.507 8.620 -0.113 1
1 49 . 4 1 1 A 5 5 GLN HA H 5 4.383 4.395 -0.012 1
1 56 . 4 1 1 A 5 5 GLN C C 5 177.440 176.446 0.994 1
1 57 . 4 1 1 A 5 5 GLN CA C 5 55.081 56.095 -1.014 1
1 58 . 4 1 1 A 5 5 GLN CB C 5 29.505 29.909 -0.404 1
1 60 . 4 1 1 A 5 5 GLN N N 5 123.847 126.739 -2.892 1
1 62 . 4 1 1 A 6 6 LYS H H 6 8.407 8.641 -0.234 1
1 63 . 4 1 1 A 6 6 LYS HA H 6 4.392 4.496 -0.104 1
1 72 . 4 1 1 A 6 6 LYS C C 6 178.373 176.090 2.283 1
1 73 . 4 1 1 A 6 6 LYS CA C 6 61.491 56.902 4.589 1
1 74 . 4 1 1 A 6 6 LYS CB C 6 31.993 33.374 -1.381 1
1 78 . 4 1 1 A 6 6 LYS N N 6 123.099 121.890 1.209 1
1 79 . 4 1 1 A 7 7 SER H H 7 8.516 8.727 -0.211 1
1 80 . 4 1 1 A 7 7 SER HA H 7 4.483 5.250 -0.767 1
1 83 . 4 1 1 A 7 7 SER C C 7 175.401 172.626 2.775 1
1 84 . 4 1 1 A 7 7 SER CA C 7 57.370 56.624 0.746 1
1 85 . 4 1 1 A 7 7 SER CB C 7 62.979 64.315 -1.336 1
1 86 . 4 1 1 A 7 7 SER N N 7 117.184 116.103 1.081 1
1 87 . 4 1 1 A 8 8 GLU H H 8 8.548 9.081 -0.533 1
1 88 . 4 1 1 A 8 8 GLU HA H 8 4.397 4.985 -0.588 1
1 93 . 4 1 1 A 8 8 GLU C C 8 177.785 175.157 2.628 1
1 94 . 4 1 1 A 8 8 GLU CA C 8 55.856 55.569 0.287 1
1 95 . 4 1 1 A 8 8 GLU CB C 8 29.726 29.916 -0.190 1
1 97 . 4 1 1 A 8 8 GLU N N 8 123.697 126.010 -2.313 1
1 98 . 4 1 1 A 9 9 ILE H H 9 8.279 8.913 -0.634 1
1 99 . 4 1 1 A 9 9 ILE HA H 9 4.276 4.722 -0.446 1
1 109 . 4 1 1 A 9 9 ILE C C 9 177.958 175.820 2.138 1
1 110 . 4 1 1 A 9 9 ILE CA C 9 60.538 59.913 0.625 1
1 111 . 4 1 1 A 9 9 ILE CB C 9 37.725 41.170 -3.445 1
1 115 . 4 1 1 A 9 9 ILE N N 9 122.616 125.141 -2.525 1
1 116 . 4 1 1 A 10 10 THR H H 10 8.255 8.728 -0.473 1
1 117 . 4 1 1 A 10 10 THR HA H 10 4.592 4.468 0.124 1
1 122 . 4 1 1 A 10 10 THR C C 10 174.993 174.053 0.940 1
1 123 . 4 1 1 A 10 10 THR CA C 10 61.010 62.259 -1.249 1
1 124 . 4 1 1 A 10 10 THR CB C 10 68.505 69.510 -1.005 1
1 126 . 4 1 1 A 10 10 THR N N 10 119.401 121.596 -2.195 1
1 127 . 4 1 1 A 11 11 ALA H H 11 8.308 8.341 -0.033 1
1 128 . 4 1 1 A 11 11 ALA HA H 11 4.400 4.598 -0.198 1
1 132 . 4 1 1 A 11 11 ALA C C 11 178.822 177.167 1.655 1
1 133 . 4 1 1 A 11 11 ALA CA C 11 51.438 52.486 -1.048 1
1 134 . 4 1 1 A 11 11 ALA CB C 11 18.303 18.871 -0.568 1
1 135 . 4 1 1 A 11 11 ALA N N 11 127.285 126.998 0.287 1
1 136 . 4 1 1 A 12 12 LEU H H 12 8.228 8.662 -0.434 1
1 137 . 4 1 1 A 12 12 LEU HA H 12 4.457 4.757 -0.300 1
1 147 . 4 1 1 A 12 12 LEU C C 12 178.787 176.242 2.545 1
1 148 . 4 1 1 A 12 12 LEU CA C 12 54.261 54.144 0.117 1
1 149 . 4 1 1 A 12 12 LEU CB C 12 41.457 43.638 -2.181 1
1 152 . 4 1 1 A 12 12 LEU N N 12 122.431 125.172 -2.741 1
1 153 . 4 1 1 A 13 13 VAL H H 13 8.171 8.446 -0.275 1
1 154 . 4 1 1 A 13 13 VAL HA H 13 4.164 4.031 0.133 1
1 159 . 4 1 1 A 13 13 VAL C C 13 177.412 175.489 1.923 1
1 160 . 4 1 1 A 13 13 VAL CA C 13 61.489 62.451 -0.962 1
1 161 . 4 1 1 A 13 13 VAL CB C 13 31.791 32.441 -0.650 1
1 163 . 4 1 1 A 13 13 VAL N N 13 122.619 121.368 1.251 1
1 164 . 4 1 1 A 14 14 LYS H H 14 8.459 7.961 0.498 1
1 165 . 4 1 1 A 14 14 LYS HA H 14 4.375 4.423 -0.048 1
1 174 . 4 1 1 A 14 14 LYS C C 14 177.509 176.659 0.850 1
1 175 . 4 1 1 A 14 14 LYS CA C 14 55.532 56.126 -0.594 1
1 176 . 4 1 1 A 14 14 LYS CB C 14 32.114 33.312 -1.198 1
1 180 . 4 1 1 A 14 14 LYS N N 14 125.566 125.044 0.522 1
1 181 . 4 1 1 A 15 15 GLU H H 15 8.434 8.699 -0.265 1
1 182 . 4 1 1 A 15 15 GLU HA H 15 4.380 4.688 -0.308 1
1 187 . 4 1 1 A 15 15 GLU C C 15 177.440 175.908 1.532 1
1 188 . 4 1 1 A 15 15 GLU CA C 15 55.302 56.285 -0.983 1
1 189 . 4 1 1 A 15 15 GLU CB C 15 29.616 30.278 -0.662 1
1 190 . 4 1 1 A 15 15 GLU N N 15 123.950 124.960 -1.010 1
1 191 . 4 1 1 A 16 16 VAL H H 16 8.326 8.609 -0.283 1
1 192 . 4 1 1 A 16 16 VAL HA H 16 4.205 4.748 -0.543 1
1 197 . 4 1 1 A 16 16 VAL CA C 16 61.613 60.885 0.728 1
1 198 . 4 1 1 A 16 16 VAL CB C 16 32.231 35.352 -3.121 1
1 199 . 4 1 1 A 16 16 VAL N N 16 123.175 123.979 -0.804 1
1 200 . 4 1 1 A 17 17 THR H H 17 8.171 8.891 -0.720 1
1 201 . 4 1 1 A 17 17 THR HA H 17 4.470 4.203 0.267 1
1 206 . 4 1 1 A 17 17 THR CA C 17 57.893 67.416 -9.523 1
1 207 . 4 1 1 A 17 17 THR CB C 17 70.047 67.296 2.751 1
1 208 . 4 1 1 A 17 17 THR N N 17 119.533 120.577 -1.044 1
1 209 . 4 1 1 A 19 19 PRO HA H 19 4.355 4.768 -0.413 1
1 212 . 4 1 1 A 19 19 PRO C C 19 177.057 175.700 1.357 1
1 213 . 4 1 1 A 19 19 PRO CA C 19 61.531 62.517 -0.986 1
1 214 . 4 1 1 A 19 19 PRO CB C 19 31.869 29.698 2.171 1
1 215 . 4 1 1 A 20 20 ARG H H 20 8.435 8.643 -0.208 1
1 216 . 4 1 1 A 20 20 ARG HA H 20 4.391 4.647 -0.256 1
1 223 . 4 1 1 A 20 20 ARG C C 20 177.509 174.061 3.448 1
1 224 . 4 1 1 A 20 20 ARG CA C 20 55.300 55.367 -0.067 1
1 225 . 4 1 1 A 20 20 ARG CB C 20 32.492 33.364 -0.872 1
1 228 . 4 1 1 A 20 20 ARG N N 20 126.489 123.108 3.381 1
1 229 . 4 1 1 A 21 21 LYS H H 21 8.426 8.840 -0.414 1
1 230 . 4 1 1 A 21 21 LYS HA H 21 4.397 4.899 -0.502 1
1 239 . 4 1 1 A 21 21 LYS C C 21 177.412 175.483 1.929 1
1 240 . 4 1 1 A 21 21 LYS CA C 21 55.296 54.872 0.424 1
1 241 . 4 1 1 A 21 21 LYS CB C 21 29.837 34.141 -4.304 1
1 244 . 4 1 1 A 21 21 LYS N N 21 123.626 125.975 -2.349 1
1 245 . 4 1 1 A 22 22 ALA H H 22 8.378 8.750 -0.372 1
1 246 . 4 1 1 A 22 22 ALA HA H 22 4.628 4.555 0.073 1
1 250 . 4 1 1 A 22 22 ALA CA C 22 49.376 50.611 -1.235 1
1 251 . 4 1 1 A 22 22 ALA CB C 22 17.501 19.054 -1.553 1
1 252 . 4 1 1 A 22 22 ALA N N 22 127.197 128.810 -1.613 1
1 253 . 4 1 1 A 23 23 PRO HA H 23 4.219 4.738 -0.519 1
1 257 . 4 1 1 A 23 23 PRO C C 23 177.440 175.166 2.274 1
1 258 . 4 1 1 A 23 23 PRO CA C 23 61.724 62.258 -0.534 1
1 259 . 4 1 1 A 23 23 PRO CB C 23 32.162 29.044 3.118 1
1 260 . 4 1 1 A 24 24 SER H H 24 8.425 8.673 -0.248 1
1 261 . 4 1 1 A 24 24 SER HA H 24 4.344 4.627 -0.283 1
1 264 . 4 1 1 A 24 24 SER C C 24 175.610 174.294 1.316 1
1 265 . 4 1 1 A 24 24 SER CA C 24 58.845 57.715 1.130 1
1 266 . 4 1 1 A 24 24 SER CB C 24 68.920 63.996 4.924 1
1 267 . 4 1 1 A 24 24 SER N N 24 122.433 118.512 3.921 1
1 268 . 4 1 1 A 25 25 LYS H H 25 8.323 8.451 -0.128 1
1 269 . 4 1 1 A 25 25 LYS HA H 25 4.137 4.495 -0.358 1
1 276 . 4 1 1 A 25 25 LYS C C 25 177.462 175.091 2.371 1
1 277 . 4 1 1 A 25 25 LYS CA C 25 55.504 55.604 -0.100 1
1 278 . 4 1 1 A 25 25 LYS CB C 25 32.155 31.581 0.574 1
1 281 . 4 1 1 A 25 25 LYS N N 25 121.718 125.952 -4.234 1
1 282 . 4 1 1 A 26 26 ALA H H 26 8.333 8.410 -0.077 1
1 283 . 4 1 1 A 26 26 ALA HA H 26 4.334 5.449 -1.115 1
1 287 . 4 1 1 A 26 26 ALA CA C 26 51.512 50.809 0.703 1
1 288 . 4 1 1 A 26 26 ALA CB C 26 18.486 20.907 -2.421 1
1 289 . 4 1 1 A 26 26 ALA N N 26 125.817 128.069 -2.252 1
1 290 . 4 1 1 A 27 27 LYS H H 27 8.347 8.643 -0.296 1
1 291 . 4 1 1 A 27 27 LYS HA H 27 4.354 5.069 -0.715 1
1 300 . 4 1 1 A 27 27 LYS C C 27 177.923 175.452 2.471 1
1 301 . 4 1 1 A 27 27 LYS CA C 27 55.413 54.419 0.994 1
1 302 . 4 1 1 A 27 27 LYS CB C 27 32.162 35.156 -2.994 1
1 306 . 4 1 1 A 27 27 LYS N N 27 121.810 122.452 -0.642 1
1 307 . 4 1 1 A 28 28 ARG H H 28 8.440 8.515 -0.075 1
1 308 . 4 1 1 A 28 28 ARG HA H 28 4.672 5.094 -0.422 1
1 315 . 4 1 1 A 28 28 ARG C C 28 177.474 175.589 1.885 1
1 316 . 4 1 1 A 28 28 ARG CA C 28 55.140 54.980 0.160 1
1 317 . 4 1 1 A 28 28 ARG CB C 28 28.508 31.439 -2.931 1
1 318 . 4 1 1 A 28 28 ARG N N 28 122.679 124.219 -1.540 1
1 319 . 4 1 1 A 29 29 GLU H H 29 8.470 8.878 -0.408 1
1 320 . 4 1 1 A 29 29 GLU HA H 29 4.391 5.212 -0.821 1
1 325 . 4 1 1 A 29 29 GLU C C 29 177.057 174.582 2.475 1
1 326 . 4 1 1 A 29 29 GLU CA C 29 55.634 54.745 0.889 1
1 327 . 4 1 1 A 29 29 GLU CB C 29 32.461 34.027 -1.566 1
1 329 . 4 1 1 A 29 29 GLU N N 29 124.395 123.231 1.164 1
1 330 . 4 1 1 A 30 30 ALA H H 30 8.485 8.595 -0.110 1
1 331 . 4 1 1 A 30 30 ALA HA H 30 4.652 4.745 -0.093 1
1 335 . 4 1 1 A 30 30 ALA CA C 30 49.523 48.914 0.609 1
1 336 . 4 1 1 A 30 30 ALA CB C 30 17.328 20.455 -3.127 1
1 337 . 4 1 1 A 30 30 ALA N N 30 128.118 125.459 2.659 1
1 338 . 4 1 1 A 31 31 PRO HA H 31 4.440 4.400 0.040 1
1 345 . 4 1 1 A 31 31 PRO C C 31 177.612 176.092 1.520 1
1 346 . 4 1 1 A 31 31 PRO CA C 31 61.605 65.405 -3.800 1
1 347 . 4 1 1 A 31 31 PRO CB C 31 31.616 32.073 -0.457 1
1 348 . 4 1 1 A 32 32 ILE H H 32 8.202 7.808 0.394 1
1 349 . 4 1 1 A 32 32 ILE HA H 32 3.503 4.783 -1.280 1
1 359 . 4 1 1 A 32 32 ILE C C 32 176.061 176.404 -0.343 1
1 360 . 4 1 1 A 32 32 ILE CA C 32 60.929 58.688 2.241 1
1 361 . 4 1 1 A 32 32 ILE CB C 32 37.219 41.267 -4.048 1
1 365 . 4 1 1 A 32 32 ILE N N 32 121.270 114.928 6.342 1
1 366 . 4 1 1 A 33 33 LYS H H 33 7.434 9.296 -1.862 1
1 367 . 4 1 1 A 33 33 LYS HA H 33 4.370 4.297 0.073 1
1 376 . 4 1 1 A 33 33 LYS C C 33 176.960 177.254 -0.294 1
1 377 . 4 1 1 A 33 33 LYS CA C 33 56.553 59.145 -2.592 1
1 378 . 4 1 1 A 33 33 LYS CB C 33 35.043 32.173 2.870 1
1 382 . 4 1 1 A 33 33 LYS N N 33 126.133 124.636 1.497 1
1 383 . 4 1 1 A 34 34 TYR H H 34 7.974 8.455 -0.481 1
1 384 . 4 1 1 A 34 34 TYR HA H 34 4.551 4.230 0.321 1
1 389 . 4 1 1 A 34 34 TYR CA C 34 57.337 61.581 -4.244 1
1 390 . 4 1 1 A 34 34 TYR CB C 34 38.051 38.489 -0.438 1
1 393 . 4 1 1 A 34 34 TYR N N 34 121.936 120.399 1.537 1
1 394 . 4 1 1 A 35 35 TRP H H 35 7.912 8.123 -0.211 1
1 395 . 4 1 1 A 35 35 TRP HA H 35 4.687 4.450 0.237 1
1 403 . 4 1 1 A 35 35 TRP C C 35 171.862 175.541 -3.679 1
1 404 . 4 1 1 A 35 35 TRP CA C 35 56.720 59.943 -3.223 1
1 405 . 4 1 1 A 35 35 TRP CB C 35 28.638 30.921 -2.283 1
1 410 . 4 1 1 A 35 35 TRP N N 35 122.844 120.711 2.133 1
1 412 . 4 1 1 A 36 36 LEU H H 36 7.598 8.230 -0.632 1
1 413 . 4 1 1 A 36 36 LEU HA H 36 4.028 4.891 -0.863 1
1 423 . 4 1 1 A 36 36 LEU CA C 36 47.586 51.107 -3.521 1
1 424 . 4 1 1 A 36 36 LEU CB C 36 39.448 44.212 -4.764 1
1 428 . 4 1 1 A 36 36 LEU N N 36 117.117 118.228 -1.111 1
1 429 . 4 1 1 A 37 37 PRO HA H 37 4.340 4.567 -0.227 1
1 436 . 4 1 1 A 37 37 PRO C C 37 175.850 176.442 -0.592 1
1 437 . 4 1 1 A 37 37 PRO CA C 37 62.513 64.562 -2.049 1
1 438 . 4 1 1 A 37 37 PRO CB C 37 31.510 32.143 -0.633 1
1 439 . 4 1 1 A 38 38 HIS H H 38 7.704 7.970 -0.266 1
1 440 . 4 1 1 A 38 38 HIS HA H 38 4.366 5.065 -0.699 1
1 445 . 4 1 1 A 38 38 HIS C C 38 176.772 173.367 3.405 1
1 446 . 4 1 1 A 38 38 HIS CA C 38 56.604 54.555 2.049 1
1 447 . 4 1 1 A 38 38 HIS CB C 38 28.736 31.509 -2.773 1
1 450 . 4 1 1 A 38 38 HIS N N 38 111.845 116.164 -4.319 1
1 451 . 4 1 1 A 39 39 SER H H 39 6.451 8.779 -2.328 1
1 452 . 4 1 1 A 39 39 SER HA H 39 4.620 4.770 -0.150 1
1 455 . 4 1 1 A 39 39 SER C C 39 176.576 174.030 2.546 1
1 456 . 4 1 1 A 39 39 SER CA C 39 56.604 58.402 -1.798 1
1 457 . 4 1 1 A 39 39 SER CB C 39 65.579 63.928 1.651 1
1 458 . 4 1 1 A 39 39 SER N N 39 113.386 120.447 -7.061 1
1 459 . 4 1 1 A 40 40 GLY H H 40 8.420 8.468 -0.048 1
1 460 . 4 1 1 A 40 40 GLY HA2 H 40 4.346 4.103 0.243 1
1 461 . 4 1 1 A 40 40 GLY HA3 H 40 3.741 4.184 -0.443 1
1 462 . 4 1 1 A 40 40 GLY C C 40 176.997 173.366 3.631 1
1 463 . 4 1 1 A 40 40 GLY CA C 40 44.153 45.549 -1.396 1
1 464 . 4 1 1 A 40 40 GLY N N 40 113.160 111.344 1.816 1
1 465 . 4 1 1 A 41 41 ALA H H 41 7.187 8.329 -1.142 1
1 466 . 4 1 1 A 41 41 ALA HA H 41 4.397 5.036 -0.639 1
1 470 . 4 1 1 A 41 41 ALA C C 41 177.989 175.963 2.026 1
1 471 . 4 1 1 A 41 41 ALA CA C 41 51.533 50.941 0.592 1
1 472 . 4 1 1 A 41 41 ALA CB C 41 17.990 20.737 -2.747 1
1 473 . 4 1 1 A 41 41 ALA N N 41 123.786 125.128 -1.342 1
1 474 . 4 1 1 A 42 42 THR H H 42 8.358 9.009 -0.651 1
1 475 . 4 1 1 A 42 42 THR HA H 42 5.612 4.862 0.750 1
1 480 . 4 1 1 A 42 42 THR C C 42 175.505 173.348 2.157 1
1 481 . 4 1 1 A 42 42 THR CA C 42 58.816 60.769 -1.953 1
1 482 . 4 1 1 A 42 42 THR CB C 42 71.944 69.388 2.556 1
1 484 . 4 1 1 A 42 42 THR N N 42 108.609 119.087 -10.478 1
1 485 . 4 1 1 A 43 43 TRP H H 43 8.625 8.813 -0.188 1
1 486 . 4 1 1 A 43 43 TRP HA H 43 5.338 5.297 0.041 1
1 494 . 4 1 1 A 43 43 TRP C C 43 177.892 174.864 3.028 1
1 495 . 4 1 1 A 43 43 TRP CA C 43 54.345 55.272 -0.927 1
1 496 . 4 1 1 A 43 43 TRP CB C 43 31.571 31.050 0.521 1
1 501 . 4 1 1 A 43 43 TRP N N 43 117.778 132.345 -14.567 1
1 503 . 4 1 1 A 44 44 SER H H 44 8.451 8.926 -0.475 1
1 504 . 4 1 1 A 44 44 SER HA H 44 4.498 5.182 -0.684 1
1 507 . 4 1 1 A 44 44 SER C C 44 175.850 174.293 1.557 1
1 508 . 4 1 1 A 44 44 SER CA C 44 57.363 57.839 -0.476 1
1 509 . 4 1 1 A 44 44 SER CB C 44 62.550 64.088 -1.538 1
1 510 . 4 1 1 A 44 44 SER N N 44 117.818 120.703 -2.885 1
1 511 . 4 1 1 A 45 45 GLY H H 45 7.513 8.245 -0.732 1
1 512 . 4 1 1 A 45 45 GLY HA2 H 45 4.344 4.168 0.176 1
1 513 . 4 1 1 A 45 45 GLY HA3 H 45 3.775 4.238 -0.463 1
1 514 . 4 1 1 A 45 45 GLY C C 45 172.858 173.942 -1.084 1
1 515 . 4 1 1 A 45 45 GLY CA C 45 44.312 45.867 -1.555 1
1 516 . 4 1 1 A 45 45 GLY N N 45 111.146 111.804 -0.658 1
1 517 . 4 1 1 A 46 46 ARG H H 46 8.534 7.977 0.557 1
1 518 . 4 1 1 A 46 46 ARG HA H 46 4.632 4.187 0.445 1
1 525 . 4 1 1 A 46 46 ARG C C 46 177.983 175.826 2.157 1
1 526 . 4 1 1 A 46 46 ARG CA C 46 53.530 55.713 -2.183 1
1 527 . 4 1 1 A 46 46 ARG CB C 46 31.064 30.432 0.632 1
1 530 . 4 1 1 A 46 46 ARG N N 46 120.921 124.365 -3.444 1
1 531 . 4 1 1 A 47 47 GLY H H 47 8.864 8.655 0.209 1
1 532 . 4 1 1 A 47 47 GLY HA2 H 47 3.919 3.733 0.186 1
1 533 . 4 1 1 A 47 47 GLY HA3 H 47 4.336 3.759 0.577 1
1 534 . 4 1 1 A 47 47 GLY C C 47 177.440 173.851 3.589 1
1 535 . 4 1 1 A 47 47 GLY CA C 47 44.060 46.510 -2.450 1
1 536 . 4 1 1 A 47 47 GLY N N 47 111.872 112.563 -0.691 1
1 537 . 4 1 1 A 48 48 LYS H H 48 7.752 7.689 0.063 1
1 538 . 4 1 1 A 48 48 LYS HA H 48 4.274 4.422 -0.148 1
1 547 . 4 1 1 A 48 48 LYS C C 48 178.053 175.638 2.415 1
1 548 . 4 1 1 A 48 48 LYS CA C 48 55.302 55.572 -0.270 1
1 549 . 4 1 1 A 48 48 LYS CB C 48 32.162 32.519 -0.357 1
1 550 . 4 1 1 A 48 48 LYS N N 48 125.971 121.056 4.915 1
1 551 . 4 1 1 A 49 49 ILE H H 49 8.236 8.665 -0.429 1
1 552 . 4 1 1 A 49 49 ILE HA H 49 2.797 4.595 -1.798 1
1 562 . 4 1 1 A 49 49 ILE CA C 49 58.222 57.749 0.473 1
1 563 . 4 1 1 A 49 49 ILE CB C 49 37.578 40.474 -2.896 1
1 567 . 4 1 1 A 49 49 ILE N N 49 126.182 125.041 1.141 1
1 568 . 4 1 1 A 50 50 PRO HA H 50 4.344 4.582 -0.238 1
1 571 . 4 1 1 A 50 50 PRO C C 50 178.547 176.500 2.047 1
1 572 . 4 1 1 A 50 50 PRO CA C 50 60.998 63.202 -2.204 1
1 573 . 4 1 1 A 50 50 PRO CB C 50 32.796 30.584 2.212 1
1 575 . 4 1 1 A 51 51 LYS H H 51 9.065 8.143 0.922 1
1 576 . 4 1 1 A 51 51 LYS HA H 51 4.870 4.073 0.797 1
1 581 . 4 1 1 A 51 51 LYS CA C 51 59.788 60.739 -0.951 1
1 582 . 4 1 1 A 51 51 LYS CB C 51 28.838 30.453 -1.615 1
1 583 . 4 1 1 A 51 51 LYS N N 51 125.299 122.227 3.072 1
1 584 . 4 1 1 A 52 52 PRO HA H 52 4.391 4.394 -0.003 1
1 591 . 4 1 1 A 52 52 PRO C C 52 181.184 179.063 2.121 1
1 592 . 4 1 1 A 52 52 PRO CA C 52 64.975 65.598 -0.623 1
1 593 . 4 1 1 A 52 52 PRO CB C 52 30.072 31.217 -1.145 1
1 595 . 4 1 1 A 53 53 PHE H H 53 7.144 7.635 -0.491 1
1 596 . 4 1 1 A 53 53 PHE HA H 53 3.875 4.064 -0.189 1
1 601 . 4 1 1 A 53 53 PHE C C 53 177.838 177.723 0.115 1
1 602 . 4 1 1 A 53 53 PHE CA C 53 60.265 61.544 -1.279 1
1 603 . 4 1 1 A 53 53 PHE CB C 53 37.091 39.386 -2.295 1
1 606 . 4 1 1 A 53 53 PHE N N 53 116.868 118.582 -1.714 1
1 607 . 4 1 1 A 54 54 GLU H H 54 7.788 8.549 -0.761 1
1 608 . 4 1 1 A 54 54 GLU HA H 54 3.997 3.833 0.164 1
1 613 . 4 1 1 A 54 54 GLU C C 54 180.998 178.554 2.444 1
1 614 . 4 1 1 A 54 54 GLU CA C 54 58.691 59.563 -0.872 1
1 615 . 4 1 1 A 54 54 GLU CB C 54 29.328 29.437 -0.109 1
1 617 . 4 1 1 A 54 54 GLU N N 54 120.523 119.235 1.288 1
1 618 . 4 1 1 A 55 55 ALA H H 55 8.379 7.795 0.584 1
1 619 . 4 1 1 A 55 55 ALA HA H 55 4.086 4.159 -0.073 1
1 623 . 4 1 1 A 55 55 ALA C C 55 180.899 179.162 1.737 1
1 624 . 4 1 1 A 55 55 ALA CA C 55 53.119 55.128 -2.009 1
1 625 . 4 1 1 A 55 55 ALA CB C 55 17.854 18.001 -0.147 1
1 626 . 4 1 1 A 55 55 ALA N N 55 119.006 121.142 -2.136 1
1 627 . 4 1 1 A 56 56 TRP H H 56 7.575 7.686 -0.111 1
1 628 . 4 1 1 A 56 56 TRP HA H 56 4.616 4.385 0.231 1
1 634 . 4 1 1 A 56 56 TRP C C 56 179.334 178.078 1.256 1
1 635 . 4 1 1 A 56 56 TRP CA C 56 59.039 61.118 -2.079 1
1 636 . 4 1 1 A 56 56 TRP CB C 56 27.791 29.198 -1.407 1
1 639 . 4 1 1 A 56 56 TRP N N 56 119.770 119.833 -0.063 1
1 641 . 4 1 1 A 57 57 ILE H H 57 7.291 8.156 -0.865 1
1 642 . 4 1 1 A 57 57 ILE HA H 57 2.517 3.891 -1.374 1
1 651 . 4 1 1 A 57 57 ILE C C 57 177.768 177.335 0.433 1
1 652 . 4 1 1 A 57 57 ILE CA C 57 62.722 63.929 -1.207 1
1 653 . 4 1 1 A 57 57 ILE CB C 57 36.507 36.897 -0.390 1
1 657 . 4 1 1 A 57 57 ILE N N 57 117.374 118.320 -0.946 1
1 658 . 4 1 1 A 58 58 GLY H H 58 6.565 7.622 -1.057 1
1 659 . 4 1 1 A 58 58 GLY HA2 H 58 3.985 3.846 0.139 1
1 660 . 4 1 1 A 58 58 GLY HA3 H 58 4.069 3.951 0.118 1
1 661 . 4 1 1 A 58 58 GLY C C 58 178.787 175.651 3.136 1
1 662 . 4 1 1 A 58 58 GLY CA C 58 43.958 46.207 -2.249 1
1 663 . 4 1 1 A 58 58 GLY N N 58 110.422 109.734 0.688 1
1 664 . 4 1 1 A 59 59 THR H H 59 7.629 8.021 -0.392 1
1 665 . 4 1 1 A 59 59 THR HA H 59 4.554 3.747 0.807 1
1 670 . 4 1 1 A 59 59 THR CA C 59 60.466 65.276 -4.810 1
1 671 . 4 1 1 A 59 59 THR CB C 59 71.728 67.876 3.852 1
1 672 . 4 1 1 A 59 59 THR N N 59 111.600 116.917 -5.317 1
1 673 . 4 1 1 A 60 60 ALA H H 60 9.010 7.248 1.762 1
1 674 . 4 1 1 A 60 60 ALA HA H 60 4.917 4.479 0.438 1
1 678 . 4 1 1 A 60 60 ALA C C 60 182.933 178.487 4.446 1
1 679 . 4 1 1 A 60 60 ALA CA C 60 54.222 52.968 1.254 1
1 680 . 4 1 1 A 60 60 ALA CB C 60 18.122 20.807 -2.685 1
1 681 . 4 1 1 A 60 60 ALA N N 60 125.890 119.851 6.039 1
1 682 . 4 1 1 A 61 61 ALA H H 61 8.368 7.982 0.386 1
1 683 . 4 1 1 A 61 61 ALA HA H 61 4.256 4.139 0.117 1
1 687 . 4 1 1 A 61 61 ALA C C 61 182.536 179.193 3.343 1
1 688 . 4 1 1 A 61 61 ALA CA C 61 54.071 54.916 -0.845 1
1 689 . 4 1 1 A 61 61 ALA CB C 61 18.122 18.185 -0.063 1
1 690 . 4 1 1 A 61 61 ALA N N 61 121.272 120.638 0.634 1
1 691 . 4 1 1 A 62 62 TYR H H 62 7.310 8.035 -0.725 1
1 692 . 4 1 1 A 62 62 TYR HA H 62 3.381 4.093 -0.712 1
1 697 . 4 1 1 A 62 62 TYR C C 62 177.889 177.415 0.474 1
1 698 . 4 1 1 A 62 62 TYR CA C 62 60.203 61.723 -1.520 1
1 699 . 4 1 1 A 62 62 TYR CB C 62 36.771 38.629 -1.858 1
1 702 . 4 1 1 A 62 62 TYR N N 62 122.066 120.627 1.439 1
1 703 . 4 1 1 A 63 63 THR H H 63 8.303 8.347 -0.044 1
1 704 . 4 1 1 A 63 63 THR HA H 63 4.405 3.762 0.643 1
1 709 . 4 1 1 A 63 63 THR C C 63 178.200 177.174 1.026 1
1 710 . 4 1 1 A 63 63 THR CA C 63 65.547 65.490 0.057 1
1 711 . 4 1 1 A 63 63 THR CB C 63 67.470 68.670 -1.200 1
1 712 . 4 1 1 A 63 63 THR N N 63 117.473 114.134 3.339 1
1 713 . 4 1 1 A 64 64 ALA H H 64 7.931 7.617 0.314 1
1 714 . 4 1 1 A 64 64 ALA HA H 64 4.220 4.058 0.162 1
1 718 . 4 1 1 A 64 64 ALA C C 64 181.966 179.396 2.570 1
1 719 . 4 1 1 A 64 64 ALA CA C 64 53.966 54.869 -0.903 1
1 720 . 4 1 1 A 64 64 ALA CB C 64 17.432 18.408 -0.976 1
1 721 . 4 1 1 A 64 64 ALA N N 64 123.649 122.864 0.785 1
1 722 . 4 1 1 A 65 65 TRP H H 65 8.049 8.409 -0.360 1
1 723 . 4 1 1 A 65 65 TRP HA H 65 4.294 4.074 0.220 1
1 729 . 4 1 1 A 65 65 TRP C C 65 181.255 178.638 2.617 1
1 730 . 4 1 1 A 65 65 TRP CA C 65 61.458 61.498 -0.040 1
1 731 . 4 1 1 A 65 65 TRP CB C 65 27.748 29.577 -1.829 1
1 734 . 4 1 1 A 65 65 TRP N N 65 121.372 120.265 1.107 1
1 736 . 4 1 1 A 66 66 LYS H H 66 9.624 8.453 1.171 1
1 737 . 4 1 1 A 66 66 LYS HA H 66 4.352 4.049 0.303 1
1 745 . 4 1 1 A 66 66 LYS C C 66 180.615 179.069 1.546 1
1 746 . 4 1 1 A 66 66 LYS CA C 66 56.030 59.588 -3.558 1
1 747 . 4 1 1 A 66 66 LYS CB C 66 30.842 31.875 -1.033 1
1 751 . 4 1 1 A 66 66 LYS N N 66 123.631 118.520 5.111 1
1 752 . 4 1 1 A 67 67 ALA H H 67 8.822 8.091 0.731 1
1 753 . 4 1 1 A 67 67 ALA HA H 67 4.027 3.975 0.052 1
1 757 . 4 1 1 A 67 67 ALA C C 67 180.899 179.972 0.927 1
1 758 . 4 1 1 A 67 67 ALA CA C 67 53.759 54.733 -0.974 1
1 759 . 4 1 1 A 67 67 ALA CB C 67 17.534 18.270 -0.736 1
1 760 . 4 1 1 A 67 67 ALA N N 67 120.803 122.020 -1.217 1
1 761 . 4 1 1 A 68 68 LYS H H 68 6.888 7.451 -0.563 1
1 762 . 4 1 1 A 68 68 LYS HA H 68 4.233 4.205 0.028 1
1 771 . 4 1 1 A 68 68 LYS C C 68 175.989 176.682 -0.693 1
1 772 . 4 1 1 A 68 68 LYS CA C 68 54.355 57.348 -2.993 1
1 773 . 4 1 1 A 68 68 LYS CB C 68 33.056 33.017 0.039 1
1 777 . 4 1 1 A 68 68 LYS N N 68 113.741 114.868 -1.127 1
1 778 . 4 1 1 A 69 69 HIS H H 69 7.111 7.970 -0.859 1
1 779 . 4 1 1 A 69 69 HIS HA H 69 4.768 4.906 -0.138 1
1 784 . 4 1 1 A 69 69 HIS CA C 69 52.654 53.639 -0.985 1
1 785 . 4 1 1 A 69 69 HIS CB C 69 27.381 32.621 -5.240 1
1 788 . 4 1 1 A 69 69 HIS N N 69 120.596 115.705 4.891 1
1 789 . 4 1 1 A 70 70 PRO HA H 70 4.230 4.307 -0.077 1
1 796 . 4 1 1 A 70 70 PRO C C 70 179.651 176.899 2.752 1
1 797 . 4 1 1 A 70 70 PRO CA C 70 64.184 65.908 -1.724 1
1 798 . 4 1 1 A 70 70 PRO CB C 70 30.854 31.567 -0.713 1
1 800 . 4 1 1 A 71 71 ASP H H 71 8.619 8.085 0.534 1
1 801 . 4 1 1 A 71 71 ASP HA H 71 4.917 5.047 -0.130 1
1 804 . 4 1 1 A 71 71 ASP C C 71 177.057 176.507 0.550 1
1 805 . 4 1 1 A 71 71 ASP CA C 71 52.975 52.957 0.018 1
1 806 . 4 1 1 A 71 71 ASP CB C 71 40.475 41.716 -1.241 1
1 807 . 4 1 1 A 71 71 ASP N N 71 116.294 116.408 -0.114 1
1 808 . 4 1 1 A 72 72 GLU H H 72 7.389 8.363 -0.974 1
1 809 . 4 1 1 A 72 72 GLU HA H 72 4.920 4.189 0.731 1
1 814 . 4 1 1 A 72 72 GLU C C 72 176.986 177.304 -0.318 1
1 815 . 4 1 1 A 72 72 GLU CA C 72 54.236 59.362 -5.126 1
1 816 . 4 1 1 A 72 72 GLU CB C 72 33.622 30.378 3.244 1
1 818 . 4 1 1 A 72 72 GLU N N 72 120.136 123.853 -3.717 1
1 819 . 4 1 1 A 73 73 LYS H H 73 9.155 7.726 1.429 1
1 820 . 4 1 1 A 73 73 LYS HA H 73 4.245 4.254 -0.009 1
1 829 . 4 1 1 A 73 73 LYS C C 73 176.680 176.425 0.255 1
1 830 . 4 1 1 A 73 73 LYS CA C 73 57.999 55.823 2.176 1
1 831 . 4 1 1 A 73 73 LYS CB C 73 33.418 32.758 0.660 1
1 835 . 4 1 1 A 73 73 LYS N N 73 121.554 120.019 1.535 1
1 836 . 4 1 1 A 74 74 PHE H H 74 7.171 8.435 -1.264 1
1 837 . 4 1 1 A 74 74 PHE HA H 74 4.600 4.548 0.052 1
1 843 . 4 1 1 A 74 74 PHE CA C 74 55.159 57.389 -2.230 1
1 844 . 4 1 1 A 74 74 PHE CB C 74 40.451 40.256 0.195 1
1 848 . 4 1 1 A 74 74 PHE N N 74 111.944 127.097 -15.153 1
1 849 . 4 1 1 A 75 75 PRO HA H 75 4.640 4.312 0.328 1
1 856 . 4 1 1 A 75 75 PRO C C 75 176.914 174.692 2.222 1
1 857 . 4 1 1 A 75 75 PRO CA C 75 62.713 61.887 0.826 1
1 858 . 4 1 1 A 75 75 PRO CB C 75 30.073 28.833 1.240 1
1 860 . 4 1 1 A 76 76 ALA H H 76 9.039 8.493 0.546 1
1 861 . 4 1 1 A 76 76 ALA HA H 76 4.870 5.144 -0.274 1
1 865 . 4 1 1 A 76 76 ALA C C 76 179.974 177.021 2.953 1
1 866 . 4 1 1 A 76 76 ALA CA C 76 50.923 50.528 0.395 1
1 867 . 4 1 1 A 76 76 ALA CB C 76 18.130 20.746 -2.616 1
1 868 . 4 1 1 A 76 76 ALA N N 76 128.387 124.935 3.452 1
1 869 . 4 1 1 A 77 77 PHE H H 77 8.117 8.998 -0.881 1
1 870 . 4 1 1 A 77 77 PHE HA H 77 4.915 5.111 -0.196 1
1 875 . 4 1 1 A 77 77 PHE CA C 77 53.371 55.347 -1.976 1
1 876 . 4 1 1 A 77 77 PHE CB C 77 36.523 40.429 -3.906 1
1 878 . 4 1 1 A 77 77 PHE N N 77 125.115 120.297 4.818 1
1 879 . 4 1 1 A 78 78 PRO HA H 78 4.245 4.850 -0.605 1
1 886 . 4 1 1 A 78 78 PRO C C 78 176.487 176.022 0.465 1
1 887 . 4 1 1 A 78 78 PRO CA C 78 62.480 62.343 0.137 1
1 888 . 4 1 1 A 78 78 PRO CB C 78 30.324 31.718 -1.394 1
1 13 . 5 1 1 A 2 2 ASN H H 2 9.438 9.203 0.235 1
1 14 . 5 1 1 A 2 2 ASN HA H 2 5.912 4.565 1.347 1
1 19 . 5 1 1 A 2 2 ASN C C 2 175.436 176.164 -0.728 1
1 20 . 5 1 1 A 2 2 ASN CA C 2 54.299 56.729 -2.430 1
1 21 . 5 1 1 A 2 2 ASN CB C 2 38.092 38.579 -0.487 1
1 22 . 5 1 1 A 2 2 ASN N N 2 121.344 119.997 1.347 1
1 24 . 5 1 1 A 3 3 VAL H H 3 8.328 7.582 0.746 1
1 25 . 5 1 1 A 3 3 VAL HA H 3 4.161 4.445 -0.284 1
1 30 . 5 1 1 A 3 3 VAL C C 3 178.200 175.320 2.880 1
1 31 . 5 1 1 A 3 3 VAL CA C 3 61.577 62.925 -1.348 1
1 32 . 5 1 1 A 3 3 VAL CB C 3 32.162 32.122 0.040 1
1 34 . 5 1 1 A 3 3 VAL N N 3 122.195 119.062 3.133 1
1 35 . 5 1 1 A 4 4 LYS H H 4 8.474 8.937 -0.463 1
1 36 . 5 1 1 A 4 4 LYS HA H 4 4.283 4.866 -0.583 1
1 44 . 5 1 1 A 4 4 LYS C C 4 177.509 176.161 1.348 1
1 45 . 5 1 1 A 4 4 LYS CA C 4 55.197 54.724 0.473 1
1 46 . 5 1 1 A 4 4 LYS CB C 4 30.194 36.001 -5.807 1
1 47 . 5 1 1 A 4 4 LYS N N 4 122.239 128.385 -6.146 1
1 48 . 5 1 1 A 5 5 GLN H H 5 8.507 8.564 -0.057 1
1 49 . 5 1 1 A 5 5 GLN HA H 5 4.383 4.368 0.015 1
1 56 . 5 1 1 A 5 5 GLN C C 5 177.440 176.317 1.123 1
1 57 . 5 1 1 A 5 5 GLN CA C 5 55.081 56.149 -1.068 1
1 58 . 5 1 1 A 5 5 GLN CB C 5 29.505 29.716 -0.211 1
1 60 . 5 1 1 A 5 5 GLN N N 5 123.847 122.631 1.216 1
1 62 . 5 1 1 A 6 6 LYS H H 6 8.407 8.665 -0.258 1
1 63 . 5 1 1 A 6 6 LYS HA H 6 4.392 4.592 -0.200 1
1 72 . 5 1 1 A 6 6 LYS C C 6 178.373 176.075 2.298 1
1 73 . 5 1 1 A 6 6 LYS CA C 6 61.491 56.896 4.595 1
1 74 . 5 1 1 A 6 6 LYS CB C 6 31.993 33.277 -1.284 1
1 78 . 5 1 1 A 6 6 LYS N N 6 123.099 121.696 1.403 1
1 79 . 5 1 1 A 7 7 SER H H 7 8.516 9.052 -0.536 1
1 80 . 5 1 1 A 7 7 SER HA H 7 4.483 5.090 -0.607 1
1 83 . 5 1 1 A 7 7 SER C C 7 175.401 173.668 1.733 1
1 84 . 5 1 1 A 7 7 SER CA C 7 57.370 57.913 -0.543 1
1 85 . 5 1 1 A 7 7 SER CB C 7 62.979 64.492 -1.513 1
1 86 . 5 1 1 A 7 7 SER N N 7 117.184 120.831 -3.647 1
1 87 . 5 1 1 A 8 8 GLU H H 8 8.548 9.151 -0.603 1
1 88 . 5 1 1 A 8 8 GLU HA H 8 4.397 5.091 -0.694 1
1 93 . 5 1 1 A 8 8 GLU C C 8 177.785 175.366 2.419 1
1 94 . 5 1 1 A 8 8 GLU CA C 8 55.856 55.439 0.417 1
1 95 . 5 1 1 A 8 8 GLU CB C 8 29.726 30.369 -0.643 1
1 97 . 5 1 1 A 8 8 GLU N N 8 123.697 124.987 -1.290 1
1 98 . 5 1 1 A 9 9 ILE H H 9 8.279 8.964 -0.685 1
1 99 . 5 1 1 A 9 9 ILE HA H 9 4.276 4.647 -0.371 1
1 109 . 5 1 1 A 9 9 ILE C C 9 177.958 175.508 2.450 1
1 110 . 5 1 1 A 9 9 ILE CA C 9 60.538 60.013 0.525 1
1 111 . 5 1 1 A 9 9 ILE CB C 9 37.725 40.714 -2.989 1
1 115 . 5 1 1 A 9 9 ILE N N 9 122.616 125.005 -2.389 1
1 116 . 5 1 1 A 10 10 THR H H 10 8.255 8.564 -0.309 1
1 117 . 5 1 1 A 10 10 THR HA H 10 4.592 4.415 0.177 1
1 122 . 5 1 1 A 10 10 THR C C 10 174.993 174.074 0.919 1
1 123 . 5 1 1 A 10 10 THR CA C 10 61.010 62.543 -1.533 1
1 124 . 5 1 1 A 10 10 THR CB C 10 68.505 69.305 -0.800 1
1 126 . 5 1 1 A 10 10 THR N N 10 119.401 121.481 -2.080 1
1 127 . 5 1 1 A 11 11 ALA H H 11 8.308 8.336 -0.028 1
1 128 . 5 1 1 A 11 11 ALA HA H 11 4.400 4.682 -0.282 1
1 132 . 5 1 1 A 11 11 ALA C C 11 178.822 177.235 1.587 1
1 133 . 5 1 1 A 11 11 ALA CA C 11 51.438 52.178 -0.740 1
1 134 . 5 1 1 A 11 11 ALA CB C 11 18.303 19.144 -0.841 1
1 135 . 5 1 1 A 11 11 ALA N N 11 127.285 127.173 0.112 1
1 136 . 5 1 1 A 12 12 LEU H H 12 8.228 8.732 -0.504 1
1 137 . 5 1 1 A 12 12 LEU HA H 12 4.457 4.897 -0.440 1
1 147 . 5 1 1 A 12 12 LEU C C 12 178.787 176.051 2.736 1
1 148 . 5 1 1 A 12 12 LEU CA C 12 54.261 53.499 0.762 1
1 149 . 5 1 1 A 12 12 LEU CB C 12 41.457 44.134 -2.677 1
1 152 . 5 1 1 A 12 12 LEU N N 12 122.431 123.864 -1.433 1
1 153 . 5 1 1 A 13 13 VAL H H 13 8.171 8.454 -0.283 1
1 154 . 5 1 1 A 13 13 VAL HA H 13 4.164 4.115 0.049 1
1 159 . 5 1 1 A 13 13 VAL C C 13 177.412 175.490 1.922 1
1 160 . 5 1 1 A 13 13 VAL CA C 13 61.489 62.326 -0.837 1
1 161 . 5 1 1 A 13 13 VAL CB C 13 31.791 32.221 -0.430 1
1 163 . 5 1 1 A 13 13 VAL N N 13 122.619 120.148 2.471 1
1 164 . 5 1 1 A 14 14 LYS H H 14 8.459 8.706 -0.247 1
1 165 . 5 1 1 A 14 14 LYS HA H 14 4.375 4.473 -0.098 1
1 174 . 5 1 1 A 14 14 LYS C C 14 177.509 176.353 1.156 1
1 175 . 5 1 1 A 14 14 LYS CA C 14 55.532 56.073 -0.541 1
1 176 . 5 1 1 A 14 14 LYS CB C 14 32.114 33.501 -1.387 1
1 180 . 5 1 1 A 14 14 LYS N N 14 125.566 126.136 -0.570 1
1 181 . 5 1 1 A 15 15 GLU H H 15 8.434 8.664 -0.230 1
1 182 . 5 1 1 A 15 15 GLU HA H 15 4.380 4.693 -0.313 1
1 187 . 5 1 1 A 15 15 GLU C C 15 177.440 175.341 2.099 1
1 188 . 5 1 1 A 15 15 GLU CA C 15 55.302 56.223 -0.921 1
1 189 . 5 1 1 A 15 15 GLU CB C 15 29.616 30.471 -0.855 1
1 190 . 5 1 1 A 15 15 GLU N N 15 123.950 124.937 -0.987 1
1 191 . 5 1 1 A 16 16 VAL H H 16 8.326 8.694 -0.368 1
1 192 . 5 1 1 A 16 16 VAL HA H 16 4.205 4.590 -0.385 1
1 197 . 5 1 1 A 16 16 VAL CA C 16 61.613 60.694 0.919 1
1 198 . 5 1 1 A 16 16 VAL CB C 16 32.231 34.706 -2.475 1
1 199 . 5 1 1 A 16 16 VAL N N 16 123.175 124.539 -1.364 1
1 200 . 5 1 1 A 17 17 THR H H 17 8.171 8.790 -0.619 1
1 201 . 5 1 1 A 17 17 THR HA H 17 4.470 4.080 0.390 1
1 206 . 5 1 1 A 17 17 THR CA C 17 57.893 67.451 -9.558 1
1 207 . 5 1 1 A 17 17 THR CB C 17 70.047 67.417 2.630 1
1 208 . 5 1 1 A 17 17 THR N N 17 119.533 120.749 -1.216 1
1 209 . 5 1 1 A 19 19 PRO HA H 19 4.355 4.725 -0.370 1
1 212 . 5 1 1 A 19 19 PRO C C 19 177.057 175.820 1.237 1
1 213 . 5 1 1 A 19 19 PRO CA C 19 61.531 62.463 -0.932 1
1 214 . 5 1 1 A 19 19 PRO CB C 19 31.869 29.459 2.410 1
1 215 . 5 1 1 A 20 20 ARG H H 20 8.435 8.607 -0.172 1
1 216 . 5 1 1 A 20 20 ARG HA H 20 4.391 4.815 -0.424 1
1 223 . 5 1 1 A 20 20 ARG C C 20 177.509 174.550 2.959 1
1 224 . 5 1 1 A 20 20 ARG CA C 20 55.300 54.737 0.563 1
1 225 . 5 1 1 A 20 20 ARG CB C 20 32.492 34.525 -2.033 1
1 228 . 5 1 1 A 20 20 ARG N N 20 126.489 123.198 3.291 1
1 229 . 5 1 1 A 21 21 LYS H H 21 8.426 8.857 -0.431 1
1 230 . 5 1 1 A 21 21 LYS HA H 21 4.397 4.919 -0.522 1
1 239 . 5 1 1 A 21 21 LYS C C 21 177.412 175.390 2.022 1
1 240 . 5 1 1 A 21 21 LYS CA C 21 55.296 54.882 0.414 1
1 241 . 5 1 1 A 21 21 LYS CB C 21 29.837 34.317 -4.480 1
1 244 . 5 1 1 A 21 21 LYS N N 21 123.626 122.203 1.423 1
1 245 . 5 1 1 A 22 22 ALA H H 22 8.378 8.670 -0.292 1
1 246 . 5 1 1 A 22 22 ALA HA H 22 4.628 4.583 0.045 1
1 250 . 5 1 1 A 22 22 ALA CA C 22 49.376 49.846 -0.470 1
1 251 . 5 1 1 A 22 22 ALA CB C 22 17.501 20.192 -2.691 1
1 252 . 5 1 1 A 22 22 ALA N N 22 127.197 128.611 -1.414 1
1 253 . 5 1 1 A 23 23 PRO HA H 23 4.219 4.784 -0.565 1
1 257 . 5 1 1 A 23 23 PRO C C 23 177.440 175.227 2.213 1
1 258 . 5 1 1 A 23 23 PRO CA C 23 61.724 62.196 -0.472 1
1 259 . 5 1 1 A 23 23 PRO CB C 23 32.162 29.167 2.995 1
1 260 . 5 1 1 A 24 24 SER H H 24 8.425 8.530 -0.105 1
1 261 . 5 1 1 A 24 24 SER HA H 24 4.344 4.733 -0.389 1
1 264 . 5 1 1 A 24 24 SER C C 24 175.610 174.182 1.428 1
1 265 . 5 1 1 A 24 24 SER CA C 24 58.845 57.565 1.280 1
1 266 . 5 1 1 A 24 24 SER CB C 24 68.920 64.150 4.770 1
1 267 . 5 1 1 A 24 24 SER N N 24 122.433 118.332 4.101 1
1 268 . 5 1 1 A 25 25 LYS H H 25 8.323 8.536 -0.213 1
1 269 . 5 1 1 A 25 25 LYS HA H 25 4.137 4.532 -0.395 1
1 276 . 5 1 1 A 25 25 LYS C C 25 177.462 175.270 2.192 1
1 277 . 5 1 1 A 25 25 LYS CA C 25 55.504 55.722 -0.218 1
1 278 . 5 1 1 A 25 25 LYS CB C 25 32.155 31.895 0.260 1
1 281 . 5 1 1 A 25 25 LYS N N 25 121.718 124.978 -3.260 1
1 282 . 5 1 1 A 26 26 ALA H H 26 8.333 8.373 -0.040 1
1 283 . 5 1 1 A 26 26 ALA HA H 26 4.334 5.711 -1.377 1
1 287 . 5 1 1 A 26 26 ALA CA C 26 51.512 50.309 1.203 1
1 288 . 5 1 1 A 26 26 ALA CB C 26 18.486 21.803 -3.317 1
1 289 . 5 1 1 A 26 26 ALA N N 26 125.817 128.305 -2.488 1
1 290 . 5 1 1 A 27 27 LYS H H 27 8.347 8.530 -0.183 1
1 291 . 5 1 1 A 27 27 LYS HA H 27 4.354 5.069 -0.715 1
1 300 . 5 1 1 A 27 27 LYS C C 27 177.923 175.298 2.625 1
1 301 . 5 1 1 A 27 27 LYS CA C 27 55.413 54.537 0.876 1
1 302 . 5 1 1 A 27 27 LYS CB C 27 32.162 35.325 -3.163 1
1 306 . 5 1 1 A 27 27 LYS N N 27 121.810 122.497 -0.687 1
1 307 . 5 1 1 A 28 28 ARG H H 28 8.440 8.662 -0.222 1
1 308 . 5 1 1 A 28 28 ARG HA H 28 4.672 5.065 -0.393 1
1 315 . 5 1 1 A 28 28 ARG C C 28 177.474 175.528 1.946 1
1 316 . 5 1 1 A 28 28 ARG CA C 28 55.140 55.070 0.070 1
1 317 . 5 1 1 A 28 28 ARG CB C 28 28.508 30.994 -2.486 1
1 318 . 5 1 1 A 28 28 ARG N N 28 122.679 123.860 -1.181 1
1 319 . 5 1 1 A 29 29 GLU H H 29 8.470 8.614 -0.144 1
1 320 . 5 1 1 A 29 29 GLU HA H 29 4.391 5.243 -0.852 1
1 325 . 5 1 1 A 29 29 GLU C C 29 177.057 175.118 1.939 1
1 326 . 5 1 1 A 29 29 GLU CA C 29 55.634 54.609 1.025 1
1 327 . 5 1 1 A 29 29 GLU CB C 29 32.461 33.812 -1.351 1
1 329 . 5 1 1 A 29 29 GLU N N 29 124.395 123.078 1.317 1
1 330 . 5 1 1 A 30 30 ALA H H 30 8.485 8.710 -0.225 1
1 331 . 5 1 1 A 30 30 ALA HA H 30 4.652 4.713 -0.061 1
1 335 . 5 1 1 A 30 30 ALA CA C 30 49.523 49.528 -0.005 1
1 336 . 5 1 1 A 30 30 ALA CB C 30 17.328 20.348 -3.020 1
1 337 . 5 1 1 A 30 30 ALA N N 30 128.118 126.184 1.934 1
1 338 . 5 1 1 A 31 31 PRO HA H 31 4.440 4.609 -0.169 1
1 345 . 5 1 1 A 31 31 PRO C C 31 177.612 175.971 1.641 1
1 346 . 5 1 1 A 31 31 PRO CA C 31 61.605 65.025 -3.420 1
1 347 . 5 1 1 A 31 31 PRO CB C 31 31.616 32.129 -0.513 1
1 348 . 5 1 1 A 32 32 ILE H H 32 8.202 7.924 0.278 1
1 349 . 5 1 1 A 32 32 ILE HA H 32 3.503 4.822 -1.319 1
1 359 . 5 1 1 A 32 32 ILE C C 32 176.061 176.351 -0.290 1
1 360 . 5 1 1 A 32 32 ILE CA C 32 60.929 58.963 1.966 1
1 361 . 5 1 1 A 32 32 ILE CB C 32 37.219 41.041 -3.822 1
1 365 . 5 1 1 A 32 32 ILE N N 32 121.270 115.027 6.243 1
1 366 . 5 1 1 A 33 33 LYS H H 33 7.434 9.232 -1.798 1
1 367 . 5 1 1 A 33 33 LYS HA H 33 4.370 4.362 0.008 1
1 376 . 5 1 1 A 33 33 LYS C C 33 176.960 177.343 -0.383 1
1 377 . 5 1 1 A 33 33 LYS CA C 33 56.553 59.159 -2.606 1
1 378 . 5 1 1 A 33 33 LYS CB C 33 35.043 32.383 2.660 1
1 382 . 5 1 1 A 33 33 LYS N N 33 126.133 124.851 1.282 1
1 383 . 5 1 1 A 34 34 TYR H H 34 7.974 8.415 -0.441 1
1 384 . 5 1 1 A 34 34 TYR HA H 34 4.551 4.247 0.304 1
1 389 . 5 1 1 A 34 34 TYR CA C 34 57.337 61.628 -4.291 1
1 390 . 5 1 1 A 34 34 TYR CB C 34 38.051 38.121 -0.070 1
1 393 . 5 1 1 A 34 34 TYR N N 34 121.936 120.462 1.474 1
1 394 . 5 1 1 A 35 35 TRP H H 35 7.912 7.972 -0.060 1
1 395 . 5 1 1 A 35 35 TRP HA H 35 4.687 4.395 0.292 1
1 403 . 5 1 1 A 35 35 TRP C C 35 171.862 175.857 -3.995 1
1 404 . 5 1 1 A 35 35 TRP CA C 35 56.720 60.075 -3.355 1
1 405 . 5 1 1 A 35 35 TRP CB C 35 28.638 30.681 -2.043 1
1 410 . 5 1 1 A 35 35 TRP N N 35 122.844 121.613 1.231 1
1 412 . 5 1 1 A 36 36 LEU H H 36 7.598 7.966 -0.368 1
1 413 . 5 1 1 A 36 36 LEU HA H 36 4.028 4.510 -0.482 1
1 423 . 5 1 1 A 36 36 LEU CA C 36 47.586 51.456 -3.870 1
1 424 . 5 1 1 A 36 36 LEU CB C 36 39.448 43.273 -3.825 1
1 428 . 5 1 1 A 36 36 LEU N N 36 117.117 118.158 -1.041 1
1 429 . 5 1 1 A 37 37 PRO HA H 37 4.340 4.492 -0.152 1
1 436 . 5 1 1 A 37 37 PRO C C 37 175.850 176.064 -0.214 1
1 437 . 5 1 1 A 37 37 PRO CA C 37 62.513 64.215 -1.702 1
1 438 . 5 1 1 A 37 37 PRO CB C 37 31.510 31.690 -0.180 1
1 439 . 5 1 1 A 38 38 HIS H H 38 7.704 7.724 -0.020 1
1 440 . 5 1 1 A 38 38 HIS HA H 38 4.366 5.001 -0.635 1
1 445 . 5 1 1 A 38 38 HIS C C 38 176.772 173.291 3.481 1
1 446 . 5 1 1 A 38 38 HIS CA C 38 56.604 54.647 1.957 1
1 447 . 5 1 1 A 38 38 HIS CB C 38 28.736 32.428 -3.692 1
1 450 . 5 1 1 A 38 38 HIS N N 38 111.845 117.010 -5.165 1
1 451 . 5 1 1 A 39 39 SER H H 39 6.451 8.977 -2.526 1
1 452 . 5 1 1 A 39 39 SER HA H 39 4.620 4.933 -0.313 1
1 455 . 5 1 1 A 39 39 SER C C 39 176.576 173.900 2.676 1
1 456 . 5 1 1 A 39 39 SER CA C 39 56.604 57.762 -1.158 1
1 457 . 5 1 1 A 39 39 SER CB C 39 65.579 63.334 2.245 1
1 458 . 5 1 1 A 39 39 SER N N 39 113.386 120.348 -6.962 1
1 459 . 5 1 1 A 40 40 GLY H H 40 8.420 8.403 0.017 1
1 460 . 5 1 1 A 40 40 GLY HA2 H 40 4.346 4.195 0.151 1
1 461 . 5 1 1 A 40 40 GLY HA3 H 40 3.741 4.234 -0.493 1
1 462 . 5 1 1 A 40 40 GLY C C 40 176.997 173.069 3.928 1
1 463 . 5 1 1 A 40 40 GLY CA C 40 44.153 45.563 -1.410 1
1 464 . 5 1 1 A 40 40 GLY N N 40 113.160 111.616 1.544 1
1 465 . 5 1 1 A 41 41 ALA H H 41 7.187 9.131 -1.944 1
1 466 . 5 1 1 A 41 41 ALA HA H 41 4.397 5.235 -0.838 1
1 470 . 5 1 1 A 41 41 ALA C C 41 177.989 175.564 2.425 1
1 471 . 5 1 1 A 41 41 ALA CA C 41 51.533 50.826 0.707 1
1 472 . 5 1 1 A 41 41 ALA CB C 41 17.990 21.453 -3.463 1
1 473 . 5 1 1 A 41 41 ALA N N 41 123.786 127.010 -3.224 1
1 474 . 5 1 1 A 42 42 THR H H 42 8.358 8.837 -0.479 1
1 475 . 5 1 1 A 42 42 THR HA H 42 5.612 4.928 0.684 1
1 480 . 5 1 1 A 42 42 THR C C 42 175.505 173.138 2.367 1
1 481 . 5 1 1 A 42 42 THR CA C 42 58.816 61.142 -2.326 1
1 482 . 5 1 1 A 42 42 THR CB C 42 71.944 69.549 2.395 1
1 484 . 5 1 1 A 42 42 THR N N 42 108.609 119.104 -10.495 1
1 485 . 5 1 1 A 43 43 TRP H H 43 8.625 8.656 -0.031 1
1 486 . 5 1 1 A 43 43 TRP HA H 43 5.338 5.405 -0.067 1
1 494 . 5 1 1 A 43 43 TRP C C 43 177.892 174.455 3.437 1
1 495 . 5 1 1 A 43 43 TRP CA C 43 54.345 54.762 -0.417 1
1 496 . 5 1 1 A 43 43 TRP CB C 43 31.571 31.210 0.361 1
1 501 . 5 1 1 A 43 43 TRP N N 43 117.778 132.062 -14.284 1
1 503 . 5 1 1 A 44 44 SER H H 44 8.451 8.957 -0.506 1
1 504 . 5 1 1 A 44 44 SER HA H 44 4.498 5.042 -0.544 1
1 507 . 5 1 1 A 44 44 SER C C 44 175.850 175.017 0.833 1
1 508 . 5 1 1 A 44 44 SER CA C 44 57.363 57.951 -0.588 1
1 509 . 5 1 1 A 44 44 SER CB C 44 62.550 62.640 -0.090 1
1 510 . 5 1 1 A 44 44 SER N N 44 117.818 123.876 -6.058 1
1 511 . 5 1 1 A 45 45 GLY H H 45 7.513 8.111 -0.598 1
1 512 . 5 1 1 A 45 45 GLY HA2 H 45 4.344 4.239 0.105 1
1 513 . 5 1 1 A 45 45 GLY HA3 H 45 3.775 4.352 -0.577 1
1 514 . 5 1 1 A 45 45 GLY C C 45 172.858 173.001 -0.143 1
1 515 . 5 1 1 A 45 45 GLY CA C 45 44.312 46.142 -1.830 1
1 516 . 5 1 1 A 45 45 GLY N N 45 111.146 111.827 -0.681 1
1 517 . 5 1 1 A 46 46 ARG H H 46 8.534 8.138 0.396 1
1 518 . 5 1 1 A 46 46 ARG HA H 46 4.632 4.223 0.409 1
1 525 . 5 1 1 A 46 46 ARG C C 46 177.983 175.911 2.072 1
1 526 . 5 1 1 A 46 46 ARG CA C 46 53.530 55.440 -1.910 1
1 527 . 5 1 1 A 46 46 ARG CB C 46 31.064 30.715 0.349 1
1 530 . 5 1 1 A 46 46 ARG N N 46 120.921 124.793 -3.872 1
1 531 . 5 1 1 A 47 47 GLY H H 47 8.864 8.636 0.228 1
1 532 . 5 1 1 A 47 47 GLY HA2 H 47 3.919 3.746 0.173 1
1 533 . 5 1 1 A 47 47 GLY HA3 H 47 4.336 3.775 0.561 1
1 534 . 5 1 1 A 47 47 GLY C C 47 177.440 174.038 3.402 1
1 535 . 5 1 1 A 47 47 GLY CA C 47 44.060 46.749 -2.689 1
1 536 . 5 1 1 A 47 47 GLY N N 47 111.872 112.406 -0.534 1
1 537 . 5 1 1 A 48 48 LYS H H 48 7.752 7.753 -0.001 1
1 538 . 5 1 1 A 48 48 LYS HA H 48 4.274 4.307 -0.033 1
1 547 . 5 1 1 A 48 48 LYS C C 48 178.053 175.796 2.257 1
1 548 . 5 1 1 A 48 48 LYS CA C 48 55.302 55.703 -0.401 1
1 549 . 5 1 1 A 48 48 LYS CB C 48 32.162 32.420 -0.258 1
1 550 . 5 1 1 A 48 48 LYS N N 48 125.971 120.471 5.500 1
1 551 . 5 1 1 A 49 49 ILE H H 49 8.236 8.549 -0.313 1
1 552 . 5 1 1 A 49 49 ILE HA H 49 2.797 4.703 -1.906 1
1 562 . 5 1 1 A 49 49 ILE CA C 49 58.222 57.832 0.390 1
1 563 . 5 1 1 A 49 49 ILE CB C 49 37.578 40.750 -3.172 1
1 567 . 5 1 1 A 49 49 ILE N N 49 126.182 124.671 1.511 1
1 568 . 5 1 1 A 50 50 PRO HA H 50 4.344 4.649 -0.305 1
1 571 . 5 1 1 A 50 50 PRO C C 50 178.547 176.503 2.044 1
1 572 . 5 1 1 A 50 50 PRO CA C 50 60.998 63.017 -2.019 1
1 573 . 5 1 1 A 50 50 PRO CB C 50 32.796 30.304 2.492 1
1 575 . 5 1 1 A 51 51 LYS H H 51 9.065 8.358 0.707 1
1 576 . 5 1 1 A 51 51 LYS HA H 51 4.870 4.048 0.822 1
1 581 . 5 1 1 A 51 51 LYS CA C 51 59.788 60.144 -0.356 1
1 582 . 5 1 1 A 51 51 LYS CB C 51 28.838 31.043 -2.205 1
1 583 . 5 1 1 A 51 51 LYS N N 51 125.299 122.174 3.125 1
1 584 . 5 1 1 A 52 52 PRO HA H 52 4.391 4.398 -0.007 1
1 591 . 5 1 1 A 52 52 PRO C C 52 181.184 179.053 2.131 1
1 592 . 5 1 1 A 52 52 PRO CA C 52 64.975 65.574 -0.599 1
1 593 . 5 1 1 A 52 52 PRO CB C 52 30.072 31.277 -1.205 1
1 595 . 5 1 1 A 53 53 PHE H H 53 7.144 7.698 -0.554 1
1 596 . 5 1 1 A 53 53 PHE HA H 53 3.875 4.087 -0.212 1
1 601 . 5 1 1 A 53 53 PHE C C 53 177.838 177.831 0.007 1
1 602 . 5 1 1 A 53 53 PHE CA C 53 60.265 61.641 -1.376 1
1 603 . 5 1 1 A 53 53 PHE CB C 53 37.091 39.374 -2.283 1
1 606 . 5 1 1 A 53 53 PHE N N 53 116.868 118.628 -1.760 1
1 607 . 5 1 1 A 54 54 GLU H H 54 7.788 8.704 -0.916 1
1 608 . 5 1 1 A 54 54 GLU HA H 54 3.997 3.960 0.037 1
1 613 . 5 1 1 A 54 54 GLU C C 54 180.998 178.772 2.226 1
1 614 . 5 1 1 A 54 54 GLU CA C 54 58.691 58.748 -0.057 1
1 615 . 5 1 1 A 54 54 GLU CB C 54 29.328 29.537 -0.209 1
1 617 . 5 1 1 A 54 54 GLU N N 54 120.523 119.203 1.320 1
1 618 . 5 1 1 A 55 55 ALA H H 55 8.379 7.796 0.583 1
1 619 . 5 1 1 A 55 55 ALA HA H 55 4.086 4.102 -0.016 1
1 623 . 5 1 1 A 55 55 ALA C C 55 180.899 178.819 2.080 1
1 624 . 5 1 1 A 55 55 ALA CA C 55 53.119 55.058 -1.939 1
1 625 . 5 1 1 A 55 55 ALA CB C 55 17.854 18.455 -0.601 1
1 626 . 5 1 1 A 55 55 ALA N N 55 119.006 121.533 -2.527 1
1 627 . 5 1 1 A 56 56 TRP H H 56 7.575 7.713 -0.138 1
1 628 . 5 1 1 A 56 56 TRP HA H 56 4.616 4.277 0.339 1
1 634 . 5 1 1 A 56 56 TRP C C 56 179.334 177.961 1.373 1
1 635 . 5 1 1 A 56 56 TRP CA C 56 59.039 61.042 -2.003 1
1 636 . 5 1 1 A 56 56 TRP CB C 56 27.791 29.550 -1.759 1
1 639 . 5 1 1 A 56 56 TRP N N 56 119.770 120.117 -0.347 1
1 641 . 5 1 1 A 57 57 ILE H H 57 7.291 8.062 -0.771 1
1 642 . 5 1 1 A 57 57 ILE HA H 57 2.517 3.828 -1.311 1
1 651 . 5 1 1 A 57 57 ILE C C 57 177.768 177.302 0.466 1
1 652 . 5 1 1 A 57 57 ILE CA C 57 62.722 63.920 -1.198 1
1 653 . 5 1 1 A 57 57 ILE CB C 57 36.507 36.956 -0.449 1
1 657 . 5 1 1 A 57 57 ILE N N 57 117.374 118.456 -1.082 1
1 658 . 5 1 1 A 58 58 GLY H H 58 6.565 7.612 -1.047 1
1 659 . 5 1 1 A 58 58 GLY HA2 H 58 3.985 3.870 0.115 1
1 660 . 5 1 1 A 58 58 GLY HA3 H 58 4.069 3.960 0.109 1
1 661 . 5 1 1 A 58 58 GLY C C 58 178.787 175.752 3.035 1
1 662 . 5 1 1 A 58 58 GLY CA C 58 43.958 45.298 -1.340 1
1 663 . 5 1 1 A 58 58 GLY N N 58 110.422 109.545 0.877 1
1 664 . 5 1 1 A 59 59 THR H H 59 7.629 7.645 -0.016 1
1 665 . 5 1 1 A 59 59 THR HA H 59 4.554 3.832 0.722 1
1 670 . 5 1 1 A 59 59 THR CA C 59 60.466 65.112 -4.646 1
1 671 . 5 1 1 A 59 59 THR CB C 59 71.728 68.097 3.631 1
1 672 . 5 1 1 A 59 59 THR N N 59 111.600 117.332 -5.732 1
1 673 . 5 1 1 A 60 60 ALA H H 60 9.010 7.234 1.776 1
1 674 . 5 1 1 A 60 60 ALA HA H 60 4.917 4.450 0.467 1
1 678 . 5 1 1 A 60 60 ALA C C 60 182.933 178.316 4.617 1
1 679 . 5 1 1 A 60 60 ALA CA C 60 54.222 52.981 1.241 1
1 680 . 5 1 1 A 60 60 ALA CB C 60 18.122 20.822 -2.700 1
1 681 . 5 1 1 A 60 60 ALA N N 60 125.890 120.374 5.516 1
1 682 . 5 1 1 A 61 61 ALA H H 61 8.368 7.973 0.395 1
1 683 . 5 1 1 A 61 61 ALA HA H 61 4.256 4.093 0.163 1
1 687 . 5 1 1 A 61 61 ALA C C 61 182.536 179.149 3.387 1
1 688 . 5 1 1 A 61 61 ALA CA C 61 54.071 54.979 -0.908 1
1 689 . 5 1 1 A 61 61 ALA CB C 61 18.122 18.203 -0.081 1
1 690 . 5 1 1 A 61 61 ALA N N 61 121.272 120.626 0.646 1
1 691 . 5 1 1 A 62 62 TYR H H 62 7.310 8.344 -1.034 1
1 692 . 5 1 1 A 62 62 TYR HA H 62 3.381 4.051 -0.670 1
1 697 . 5 1 1 A 62 62 TYR C C 62 177.889 177.373 0.516 1
1 698 . 5 1 1 A 62 62 TYR CA C 62 60.203 61.700 -1.497 1
1 699 . 5 1 1 A 62 62 TYR CB C 62 36.771 38.661 -1.890 1
1 702 . 5 1 1 A 62 62 TYR N N 62 122.066 120.575 1.491 1
1 703 . 5 1 1 A 63 63 THR H H 63 8.303 8.332 -0.029 1
1 704 . 5 1 1 A 63 63 THR HA H 63 4.405 3.762 0.643 1
1 709 . 5 1 1 A 63 63 THR C C 63 178.200 177.139 1.061 1
1 710 . 5 1 1 A 63 63 THR CA C 63 65.547 65.433 0.114 1
1 711 . 5 1 1 A 63 63 THR CB C 63 67.470 68.689 -1.219 1
1 712 . 5 1 1 A 63 63 THR N N 63 117.473 114.108 3.365 1
1 713 . 5 1 1 A 64 64 ALA H H 64 7.931 7.597 0.334 1
1 714 . 5 1 1 A 64 64 ALA HA H 64 4.220 4.066 0.154 1
1 718 . 5 1 1 A 64 64 ALA C C 64 181.966 179.405 2.561 1
1 719 . 5 1 1 A 64 64 ALA CA C 64 53.966 54.808 -0.842 1
1 720 . 5 1 1 A 64 64 ALA CB C 64 17.432 18.373 -0.941 1
1 721 . 5 1 1 A 64 64 ALA N N 64 123.649 122.856 0.793 1
1 722 . 5 1 1 A 65 65 TRP H H 65 8.049 8.385 -0.336 1
1 723 . 5 1 1 A 65 65 TRP HA H 65 4.294 3.997 0.297 1
1 729 . 5 1 1 A 65 65 TRP C C 65 181.255 178.384 2.871 1
1 730 . 5 1 1 A 65 65 TRP CA C 65 61.458 61.490 -0.032 1
1 731 . 5 1 1 A 65 65 TRP CB C 65 27.748 29.498 -1.750 1
1 734 . 5 1 1 A 65 65 TRP N N 65 121.372 120.201 1.171 1
1 736 . 5 1 1 A 66 66 LYS H H 66 9.624 8.418 1.206 1
1 737 . 5 1 1 A 66 66 LYS HA H 66 4.352 4.132 0.220 1
1 745 . 5 1 1 A 66 66 LYS C C 66 180.615 179.057 1.558 1
1 746 . 5 1 1 A 66 66 LYS CA C 66 56.030 59.584 -3.554 1
1 747 . 5 1 1 A 66 66 LYS CB C 66 30.842 31.928 -1.086 1
1 751 . 5 1 1 A 66 66 LYS N N 66 123.631 118.297 5.334 1
1 752 . 5 1 1 A 67 67 ALA H H 67 8.822 7.969 0.853 1
1 753 . 5 1 1 A 67 67 ALA HA H 67 4.027 4.053 -0.026 1
1 757 . 5 1 1 A 67 67 ALA C C 67 180.899 179.762 1.137 1
1 758 . 5 1 1 A 67 67 ALA CA C 67 53.759 54.988 -1.229 1
1 759 . 5 1 1 A 67 67 ALA CB C 67 17.534 18.047 -0.513 1
1 760 . 5 1 1 A 67 67 ALA N N 67 120.803 122.402 -1.599 1
1 761 . 5 1 1 A 68 68 LYS H H 68 6.888 7.333 -0.445 1
1 762 . 5 1 1 A 68 68 LYS HA H 68 4.233 4.147 0.086 1
1 771 . 5 1 1 A 68 68 LYS C C 68 175.989 176.507 -0.518 1
1 772 . 5 1 1 A 68 68 LYS CA C 68 54.355 57.803 -3.448 1
1 773 . 5 1 1 A 68 68 LYS CB C 68 33.056 33.011 0.045 1
1 777 . 5 1 1 A 68 68 LYS N N 68 113.741 114.987 -1.246 1
1 778 . 5 1 1 A 69 69 HIS H H 69 7.111 7.745 -0.634 1
1 779 . 5 1 1 A 69 69 HIS HA H 69 4.768 4.880 -0.112 1
1 784 . 5 1 1 A 69 69 HIS CA C 69 52.654 53.502 -0.848 1
1 785 . 5 1 1 A 69 69 HIS CB C 69 27.381 32.363 -4.982 1
1 788 . 5 1 1 A 69 69 HIS N N 69 120.596 115.025 5.571 1
1 789 . 5 1 1 A 70 70 PRO HA H 70 4.230 4.315 -0.085 1
1 796 . 5 1 1 A 70 70 PRO C C 70 179.651 177.219 2.432 1
1 797 . 5 1 1 A 70 70 PRO CA C 70 64.184 66.160 -1.976 1
1 798 . 5 1 1 A 70 70 PRO CB C 70 30.854 31.585 -0.731 1
1 800 . 5 1 1 A 71 71 ASP H H 71 8.619 8.160 0.459 1
1 801 . 5 1 1 A 71 71 ASP HA H 71 4.917 5.062 -0.145 1
1 804 . 5 1 1 A 71 71 ASP C C 71 177.057 176.658 0.399 1
1 805 . 5 1 1 A 71 71 ASP CA C 71 52.975 52.895 0.080 1
1 806 . 5 1 1 A 71 71 ASP CB C 71 40.475 41.694 -1.219 1
1 807 . 5 1 1 A 71 71 ASP N N 71 116.294 116.887 -0.593 1
1 808 . 5 1 1 A 72 72 GLU H H 72 7.389 8.300 -0.911 1
1 809 . 5 1 1 A 72 72 GLU HA H 72 4.920 4.146 0.774 1
1 814 . 5 1 1 A 72 72 GLU C C 72 176.986 177.482 -0.496 1
1 815 . 5 1 1 A 72 72 GLU CA C 72 54.236 59.364 -5.128 1
1 816 . 5 1 1 A 72 72 GLU CB C 72 33.622 30.252 3.370 1
1 818 . 5 1 1 A 72 72 GLU N N 72 120.136 123.148 -3.012 1
1 819 . 5 1 1 A 73 73 LYS H H 73 9.155 7.671 1.484 1
1 820 . 5 1 1 A 73 73 LYS HA H 73 4.245 4.068 0.177 1
1 829 . 5 1 1 A 73 73 LYS C C 73 176.680 176.174 0.506 1
1 830 . 5 1 1 A 73 73 LYS CA C 73 57.999 56.064 1.935 1
1 831 . 5 1 1 A 73 73 LYS CB C 73 33.418 32.261 1.157 1
1 835 . 5 1 1 A 73 73 LYS N N 73 121.554 119.823 1.731 1
1 836 . 5 1 1 A 74 74 PHE H H 74 7.171 8.968 -1.797 1
1 837 . 5 1 1 A 74 74 PHE HA H 74 4.600 4.541 0.059 1
1 843 . 5 1 1 A 74 74 PHE CA C 74 55.159 56.971 -1.812 1
1 844 . 5 1 1 A 74 74 PHE CB C 74 40.451 40.281 0.170 1
1 848 . 5 1 1 A 74 74 PHE N N 74 111.944 126.990 -15.046 1
1 849 . 5 1 1 A 75 75 PRO HA H 75 4.640 4.285 0.355 1
1 856 . 5 1 1 A 75 75 PRO C C 75 176.914 174.908 2.006 1
1 857 . 5 1 1 A 75 75 PRO CA C 75 62.713 61.986 0.727 1
1 858 . 5 1 1 A 75 75 PRO CB C 75 30.073 29.003 1.070 1
1 860 . 5 1 1 A 76 76 ALA H H 76 9.039 8.527 0.512 1
1 861 . 5 1 1 A 76 76 ALA HA H 76 4.870 5.176 -0.306 1
1 865 . 5 1 1 A 76 76 ALA C C 76 179.974 176.806 3.168 1
1 866 . 5 1 1 A 76 76 ALA CA C 76 50.923 50.568 0.355 1
1 867 . 5 1 1 A 76 76 ALA CB C 76 18.130 21.183 -3.053 1
1 868 . 5 1 1 A 76 76 ALA N N 76 128.387 125.342 3.045 1
1 869 . 5 1 1 A 77 77 PHE H H 77 8.117 8.862 -0.745 1
1 870 . 5 1 1 A 77 77 PHE HA H 77 4.915 5.165 -0.250 1
1 875 . 5 1 1 A 77 77 PHE CA C 77 53.371 55.352 -1.981 1
1 876 . 5 1 1 A 77 77 PHE CB C 77 36.523 40.616 -4.093 1
1 878 . 5 1 1 A 77 77 PHE N N 77 125.115 119.794 5.321 1
1 879 . 5 1 1 A 78 78 PRO HA H 78 4.245 4.845 -0.600 1
1 886 . 5 1 1 A 78 78 PRO C C 78 176.487 175.721 0.766 1
1 887 . 5 1 1 A 78 78 PRO CA C 78 62.480 62.546 -0.066 1
1 888 . 5 1 1 A 78 78 PRO CB C 78 30.324 31.137 -0.813 1
1 13 . 6 1 1 A 2 2 ASN H H 2 9.438 7.708 1.730 1
1 14 . 6 1 1 A 2 2 ASN HA H 2 5.912 4.497 1.415 1
1 19 . 6 1 1 A 2 2 ASN C C 2 175.436 175.200 0.236 1
1 20 . 6 1 1 A 2 2 ASN CA C 2 54.299 55.537 -1.238 1
1 21 . 6 1 1 A 2 2 ASN CB C 2 38.092 38.420 -0.328 1
1 22 . 6 1 1 A 2 2 ASN N N 2 121.344 120.880 0.464 1
1 24 . 6 1 1 A 3 3 VAL H H 3 8.328 7.550 0.778 1
1 25 . 6 1 1 A 3 3 VAL HA H 3 4.161 5.028 -0.867 1
1 30 . 6 1 1 A 3 3 VAL C C 3 178.200 175.306 2.894 1
1 31 . 6 1 1 A 3 3 VAL CA C 3 61.577 60.661 0.916 1
1 32 . 6 1 1 A 3 3 VAL CB C 3 32.162 33.477 -1.315 1
1 34 . 6 1 1 A 3 3 VAL N N 3 122.195 118.368 3.827 1
1 35 . 6 1 1 A 4 4 LYS H H 4 8.474 8.610 -0.136 1
1 36 . 6 1 1 A 4 4 LYS HA H 4 4.283 4.890 -0.607 1
1 44 . 6 1 1 A 4 4 LYS C C 4 177.509 175.245 2.264 1
1 45 . 6 1 1 A 4 4 LYS CA C 4 55.197 55.154 0.043 1
1 46 . 6 1 1 A 4 4 LYS CB C 4 30.194 35.919 -5.725 1
1 47 . 6 1 1 A 4 4 LYS N N 4 122.239 129.777 -7.538 1
1 48 . 6 1 1 A 5 5 GLN H H 5 8.507 8.626 -0.119 1
1 49 . 6 1 1 A 5 5 GLN HA H 5 4.383 4.411 -0.028 1
1 56 . 6 1 1 A 5 5 GLN C C 5 177.440 176.394 1.046 1
1 57 . 6 1 1 A 5 5 GLN CA C 5 55.081 56.358 -1.277 1
1 58 . 6 1 1 A 5 5 GLN CB C 5 29.505 29.532 -0.027 1
1 60 . 6 1 1 A 5 5 GLN N N 5 123.847 126.922 -3.075 1
1 62 . 6 1 1 A 6 6 LYS H H 6 8.407 8.745 -0.338 1
1 63 . 6 1 1 A 6 6 LYS HA H 6 4.392 4.464 -0.072 1
1 72 . 6 1 1 A 6 6 LYS C C 6 178.373 175.557 2.816 1
1 73 . 6 1 1 A 6 6 LYS CA C 6 61.491 56.668 4.823 1
1 74 . 6 1 1 A 6 6 LYS CB C 6 31.993 33.403 -1.410 1
1 78 . 6 1 1 A 6 6 LYS N N 6 123.099 122.210 0.889 1
1 79 . 6 1 1 A 7 7 SER H H 7 8.516 8.662 -0.146 1
1 80 . 6 1 1 A 7 7 SER HA H 7 4.483 5.111 -0.628 1
1 83 . 6 1 1 A 7 7 SER C C 7 175.401 173.154 2.247 1
1 84 . 6 1 1 A 7 7 SER CA C 7 57.370 57.633 -0.263 1
1 85 . 6 1 1 A 7 7 SER CB C 7 62.979 65.042 -2.063 1
1 86 . 6 1 1 A 7 7 SER N N 7 117.184 116.525 0.659 1
1 87 . 6 1 1 A 8 8 GLU H H 8 8.548 8.969 -0.421 1
1 88 . 6 1 1 A 8 8 GLU HA H 8 4.397 5.051 -0.654 1
1 93 . 6 1 1 A 8 8 GLU C C 8 177.785 175.225 2.560 1
1 94 . 6 1 1 A 8 8 GLU CA C 8 55.856 55.474 0.382 1
1 95 . 6 1 1 A 8 8 GLU CB C 8 29.726 30.060 -0.334 1
1 97 . 6 1 1 A 8 8 GLU N N 8 123.697 125.015 -1.318 1
1 98 . 6 1 1 A 9 9 ILE H H 9 8.279 8.750 -0.471 1
1 99 . 6 1 1 A 9 9 ILE HA H 9 4.276 4.694 -0.418 1
1 109 . 6 1 1 A 9 9 ILE C C 9 177.958 175.766 2.192 1
1 110 . 6 1 1 A 9 9 ILE CA C 9 60.538 59.897 0.641 1
1 111 . 6 1 1 A 9 9 ILE CB C 9 37.725 40.521 -2.796 1
1 115 . 6 1 1 A 9 9 ILE N N 9 122.616 125.327 -2.711 1
1 116 . 6 1 1 A 10 10 THR H H 10 8.255 8.724 -0.469 1
1 117 . 6 1 1 A 10 10 THR HA H 10 4.592 4.431 0.161 1
1 122 . 6 1 1 A 10 10 THR C C 10 174.993 173.952 1.041 1
1 123 . 6 1 1 A 10 10 THR CA C 10 61.010 62.181 -1.171 1
1 124 . 6 1 1 A 10 10 THR CB C 10 68.505 69.492 -0.987 1
1 126 . 6 1 1 A 10 10 THR N N 10 119.401 121.649 -2.248 1
1 127 . 6 1 1 A 11 11 ALA H H 11 8.308 8.283 0.025 1
1 128 . 6 1 1 A 11 11 ALA HA H 11 4.400 4.636 -0.236 1
1 132 . 6 1 1 A 11 11 ALA C C 11 178.822 177.520 1.302 1
1 133 . 6 1 1 A 11 11 ALA CA C 11 51.438 52.383 -0.945 1
1 134 . 6 1 1 A 11 11 ALA CB C 11 18.303 19.034 -0.731 1
1 135 . 6 1 1 A 11 11 ALA N N 11 127.285 127.173 0.112 1
1 136 . 6 1 1 A 12 12 LEU H H 12 8.228 8.744 -0.516 1
1 137 . 6 1 1 A 12 12 LEU HA H 12 4.457 4.692 -0.235 1
1 147 . 6 1 1 A 12 12 LEU C C 12 178.787 176.223 2.564 1
1 148 . 6 1 1 A 12 12 LEU CA C 12 54.261 53.939 0.322 1
1 149 . 6 1 1 A 12 12 LEU CB C 12 41.457 42.445 -0.988 1
1 152 . 6 1 1 A 12 12 LEU N N 12 122.431 123.745 -1.314 1
1 153 . 6 1 1 A 13 13 VAL H H 13 8.171 8.318 -0.147 1
1 154 . 6 1 1 A 13 13 VAL HA H 13 4.164 4.074 0.090 1
1 159 . 6 1 1 A 13 13 VAL C C 13 177.412 175.513 1.899 1
1 160 . 6 1 1 A 13 13 VAL CA C 13 61.489 62.295 -0.806 1
1 161 . 6 1 1 A 13 13 VAL CB C 13 31.791 32.475 -0.684 1
1 163 . 6 1 1 A 13 13 VAL N N 13 122.619 120.366 2.253 1
1 164 . 6 1 1 A 14 14 LYS H H 14 8.459 8.474 -0.015 1
1 165 . 6 1 1 A 14 14 LYS HA H 14 4.375 4.415 -0.040 1
1 174 . 6 1 1 A 14 14 LYS C C 14 177.509 176.925 0.584 1
1 175 . 6 1 1 A 14 14 LYS CA C 14 55.532 56.117 -0.585 1
1 176 . 6 1 1 A 14 14 LYS CB C 14 32.114 33.374 -1.260 1
1 180 . 6 1 1 A 14 14 LYS N N 14 125.566 124.570 0.996 1
1 181 . 6 1 1 A 15 15 GLU H H 15 8.434 8.705 -0.271 1
1 182 . 6 1 1 A 15 15 GLU HA H 15 4.380 4.596 -0.216 1
1 187 . 6 1 1 A 15 15 GLU C C 15 177.440 176.483 0.957 1
1 188 . 6 1 1 A 15 15 GLU CA C 15 55.302 56.232 -0.930 1
1 189 . 6 1 1 A 15 15 GLU CB C 15 29.616 30.155 -0.539 1
1 190 . 6 1 1 A 15 15 GLU N N 15 123.950 124.595 -0.645 1
1 191 . 6 1 1 A 16 16 VAL H H 16 8.326 8.683 -0.357 1
1 192 . 6 1 1 A 16 16 VAL HA H 16 4.205 4.753 -0.548 1
1 197 . 6 1 1 A 16 16 VAL CA C 16 61.613 60.950 0.663 1
1 198 . 6 1 1 A 16 16 VAL CB C 16 32.231 35.211 -2.980 1
1 199 . 6 1 1 A 16 16 VAL N N 16 123.175 124.113 -0.938 1
1 200 . 6 1 1 A 17 17 THR H H 17 8.171 8.786 -0.615 1
1 201 . 6 1 1 A 17 17 THR HA H 17 4.470 4.251 0.219 1
1 206 . 6 1 1 A 17 17 THR CA C 17 57.893 67.346 -9.453 1
1 207 . 6 1 1 A 17 17 THR CB C 17 70.047 67.675 2.372 1
1 208 . 6 1 1 A 17 17 THR N N 17 119.533 121.200 -1.667 1
1 209 . 6 1 1 A 19 19 PRO HA H 19 4.355 4.774 -0.419 1
1 212 . 6 1 1 A 19 19 PRO C C 19 177.057 175.822 1.235 1
1 213 . 6 1 1 A 19 19 PRO CA C 19 61.531 62.458 -0.927 1
1 214 . 6 1 1 A 19 19 PRO CB C 19 31.869 29.388 2.481 1
1 215 . 6 1 1 A 20 20 ARG H H 20 8.435 8.618 -0.183 1
1 216 . 6 1 1 A 20 20 ARG HA H 20 4.391 4.861 -0.470 1
1 223 . 6 1 1 A 20 20 ARG C C 20 177.509 174.911 2.598 1
1 224 . 6 1 1 A 20 20 ARG CA C 20 55.300 54.576 0.724 1
1 225 . 6 1 1 A 20 20 ARG CB C 20 32.492 34.812 -2.320 1
1 228 . 6 1 1 A 20 20 ARG N N 20 126.489 123.081 3.408 1
1 229 . 6 1 1 A 21 21 LYS H H 21 8.426 8.551 -0.125 1
1 230 . 6 1 1 A 21 21 LYS HA H 21 4.397 5.166 -0.769 1
1 239 . 6 1 1 A 21 21 LYS C C 21 177.412 175.183 2.229 1
1 240 . 6 1 1 A 21 21 LYS CA C 21 55.296 54.613 0.683 1
1 241 . 6 1 1 A 21 21 LYS CB C 21 29.837 35.034 -5.197 1
1 244 . 6 1 1 A 21 21 LYS N N 21 123.626 120.900 2.726 1
1 245 . 6 1 1 A 22 22 ALA H H 22 8.378 8.792 -0.414 1
1 246 . 6 1 1 A 22 22 ALA HA H 22 4.628 4.786 -0.158 1
1 250 . 6 1 1 A 22 22 ALA CA C 22 49.376 48.923 0.453 1
1 251 . 6 1 1 A 22 22 ALA CB C 22 17.501 20.474 -2.973 1
1 252 . 6 1 1 A 22 22 ALA N N 22 127.197 128.385 -1.188 1
1 253 . 6 1 1 A 23 23 PRO HA H 23 4.219 4.805 -0.586 1
1 257 . 6 1 1 A 23 23 PRO C C 23 177.440 175.466 1.974 1
1 258 . 6 1 1 A 23 23 PRO CA C 23 61.724 62.258 -0.534 1
1 259 . 6 1 1 A 23 23 PRO CB C 23 32.162 29.256 2.906 1
1 260 . 6 1 1 A 24 24 SER H H 24 8.425 8.228 0.197 1
1 261 . 6 1 1 A 24 24 SER HA H 24 4.344 4.939 -0.595 1
1 264 . 6 1 1 A 24 24 SER C C 24 175.610 173.578 2.032 1
1 265 . 6 1 1 A 24 24 SER CA C 24 58.845 56.752 2.093 1
1 266 . 6 1 1 A 24 24 SER CB C 24 68.920 65.616 3.304 1
1 267 . 6 1 1 A 24 24 SER N N 24 122.433 117.491 4.942 1
1 268 . 6 1 1 A 25 25 LYS H H 25 8.323 8.380 -0.057 1
1 269 . 6 1 1 A 25 25 LYS HA H 25 4.137 4.565 -0.428 1
1 276 . 6 1 1 A 25 25 LYS C C 25 177.462 175.141 2.321 1
1 277 . 6 1 1 A 25 25 LYS CA C 25 55.504 55.735 -0.231 1
1 278 . 6 1 1 A 25 25 LYS CB C 25 32.155 32.643 -0.488 1
1 281 . 6 1 1 A 25 25 LYS N N 25 121.718 123.216 -1.498 1
1 282 . 6 1 1 A 26 26 ALA H H 26 8.333 8.798 -0.465 1
1 283 . 6 1 1 A 26 26 ALA HA H 26 4.334 5.451 -1.117 1
1 287 . 6 1 1 A 26 26 ALA CA C 26 51.512 50.766 0.746 1
1 288 . 6 1 1 A 26 26 ALA CB C 26 18.486 20.823 -2.337 1
1 289 . 6 1 1 A 26 26 ALA N N 26 125.817 128.434 -2.617 1
1 290 . 6 1 1 A 27 27 LYS H H 27 8.347 9.015 -0.668 1
1 291 . 6 1 1 A 27 27 LYS HA H 27 4.354 5.050 -0.696 1
1 300 . 6 1 1 A 27 27 LYS C C 27 177.923 175.340 2.583 1
1 301 . 6 1 1 A 27 27 LYS CA C 27 55.413 54.529 0.884 1
1 302 . 6 1 1 A 27 27 LYS CB C 27 32.162 35.039 -2.877 1
1 306 . 6 1 1 A 27 27 LYS N N 27 121.810 122.560 -0.750 1
1 307 . 6 1 1 A 28 28 ARG H H 28 8.440 8.519 -0.079 1
1 308 . 6 1 1 A 28 28 ARG HA H 28 4.672 4.951 -0.279 1
1 315 . 6 1 1 A 28 28 ARG C C 28 177.474 175.430 2.044 1
1 316 . 6 1 1 A 28 28 ARG CA C 28 55.140 54.915 0.225 1
1 317 . 6 1 1 A 28 28 ARG CB C 28 28.508 31.533 -3.025 1
1 318 . 6 1 1 A 28 28 ARG N N 28 122.679 124.459 -1.780 1
1 319 . 6 1 1 A 29 29 GLU H H 29 8.470 8.315 0.155 1
1 320 . 6 1 1 A 29 29 GLU HA H 29 4.391 5.102 -0.711 1
1 325 . 6 1 1 A 29 29 GLU C C 29 177.057 175.389 1.668 1
1 326 . 6 1 1 A 29 29 GLU CA C 29 55.634 54.576 1.058 1
1 327 . 6 1 1 A 29 29 GLU CB C 29 32.461 33.816 -1.355 1
1 329 . 6 1 1 A 29 29 GLU N N 29 124.395 123.140 1.255 1
1 330 . 6 1 1 A 30 30 ALA H H 30 8.485 8.765 -0.280 1
1 331 . 6 1 1 A 30 30 ALA HA H 30 4.652 4.600 0.052 1
1 335 . 6 1 1 A 30 30 ALA CA C 30 49.523 50.244 -0.721 1
1 336 . 6 1 1 A 30 30 ALA CB C 30 17.328 19.676 -2.348 1
1 337 . 6 1 1 A 30 30 ALA N N 30 128.118 125.845 2.273 1
1 338 . 6 1 1 A 31 31 PRO HA H 31 4.440 4.695 -0.255 1
1 345 . 6 1 1 A 31 31 PRO C C 31 177.612 176.154 1.458 1
1 346 . 6 1 1 A 31 31 PRO CA C 31 61.605 63.711 -2.106 1
1 347 . 6 1 1 A 31 31 PRO CB C 31 31.616 32.510 -0.894 1
1 348 . 6 1 1 A 32 32 ILE H H 32 8.202 7.885 0.317 1
1 349 . 6 1 1 A 32 32 ILE HA H 32 3.503 4.734 -1.231 1
1 359 . 6 1 1 A 32 32 ILE C C 32 176.061 176.642 -0.581 1
1 360 . 6 1 1 A 32 32 ILE CA C 32 60.929 58.767 2.162 1
1 361 . 6 1 1 A 32 32 ILE CB C 32 37.219 40.904 -3.685 1
1 365 . 6 1 1 A 32 32 ILE N N 32 121.270 115.891 5.379 1
1 366 . 6 1 1 A 33 33 LYS H H 33 7.434 8.770 -1.336 1
1 367 . 6 1 1 A 33 33 LYS HA H 33 4.370 4.279 0.091 1
1 376 . 6 1 1 A 33 33 LYS C C 33 176.960 177.258 -0.298 1
1 377 . 6 1 1 A 33 33 LYS CA C 33 56.553 59.124 -2.571 1
1 378 . 6 1 1 A 33 33 LYS CB C 33 35.043 32.053 2.990 1
1 382 . 6 1 1 A 33 33 LYS N N 33 126.133 124.705 1.428 1
1 383 . 6 1 1 A 34 34 TYR H H 34 7.974 8.498 -0.524 1
1 384 . 6 1 1 A 34 34 TYR HA H 34 4.551 4.257 0.294 1
1 389 . 6 1 1 A 34 34 TYR CA C 34 57.337 61.621 -4.284 1
1 390 . 6 1 1 A 34 34 TYR CB C 34 38.051 38.514 -0.463 1
1 393 . 6 1 1 A 34 34 TYR N N 34 121.936 120.299 1.637 1
1 394 . 6 1 1 A 35 35 TRP H H 35 7.912 7.981 -0.069 1
1 395 . 6 1 1 A 35 35 TRP HA H 35 4.687 4.409 0.278 1
1 403 . 6 1 1 A 35 35 TRP C C 35 171.862 175.847 -3.985 1
1 404 . 6 1 1 A 35 35 TRP CA C 35 56.720 60.337 -3.617 1
1 405 . 6 1 1 A 35 35 TRP CB C 35 28.638 30.910 -2.272 1
1 410 . 6 1 1 A 35 35 TRP N N 35 122.844 121.922 0.922 1
1 412 . 6 1 1 A 36 36 LEU H H 36 7.598 7.934 -0.336 1
1 413 . 6 1 1 A 36 36 LEU HA H 36 4.028 4.831 -0.803 1
1 423 . 6 1 1 A 36 36 LEU CA C 36 47.586 51.230 -3.644 1
1 424 . 6 1 1 A 36 36 LEU CB C 36 39.448 44.766 -5.318 1
1 428 . 6 1 1 A 36 36 LEU N N 36 117.117 117.819 -0.702 1
1 429 . 6 1 1 A 37 37 PRO HA H 37 4.340 4.502 -0.162 1
1 436 . 6 1 1 A 37 37 PRO C C 37 175.850 176.002 -0.152 1
1 437 . 6 1 1 A 37 37 PRO CA C 37 62.513 64.069 -1.556 1
1 438 . 6 1 1 A 37 37 PRO CB C 37 31.510 31.408 0.102 1
1 439 . 6 1 1 A 38 38 HIS H H 38 7.704 7.723 -0.019 1
1 440 . 6 1 1 A 38 38 HIS HA H 38 4.366 4.990 -0.624 1
1 445 . 6 1 1 A 38 38 HIS C C 38 176.772 172.961 3.811 1
1 446 . 6 1 1 A 38 38 HIS CA C 38 56.604 55.398 1.206 1
1 447 . 6 1 1 A 38 38 HIS CB C 38 28.736 32.580 -3.844 1
1 450 . 6 1 1 A 38 38 HIS N N 38 111.845 117.303 -5.458 1
1 451 . 6 1 1 A 39 39 SER H H 39 6.451 8.971 -2.520 1
1 452 . 6 1 1 A 39 39 SER HA H 39 4.620 5.007 -0.387 1
1 455 . 6 1 1 A 39 39 SER C C 39 176.576 174.089 2.487 1
1 456 . 6 1 1 A 39 39 SER CA C 39 56.604 58.226 -1.622 1
1 457 . 6 1 1 A 39 39 SER CB C 39 65.579 64.084 1.495 1
1 458 . 6 1 1 A 39 39 SER N N 39 113.386 120.437 -7.051 1
1 459 . 6 1 1 A 40 40 GLY H H 40 8.420 8.562 -0.142 1
1 460 . 6 1 1 A 40 40 GLY HA2 H 40 4.346 4.209 0.137 1
1 461 . 6 1 1 A 40 40 GLY HA3 H 40 3.741 4.232 -0.491 1
1 462 . 6 1 1 A 40 40 GLY C C 40 176.997 173.001 3.996 1
1 463 . 6 1 1 A 40 40 GLY CA C 40 44.153 45.516 -1.363 1
1 464 . 6 1 1 A 40 40 GLY N N 40 113.160 111.454 1.706 1
1 465 . 6 1 1 A 41 41 ALA H H 41 7.187 8.940 -1.753 1
1 466 . 6 1 1 A 41 41 ALA HA H 41 4.397 5.178 -0.781 1
1 470 . 6 1 1 A 41 41 ALA C C 41 177.989 175.783 2.206 1
1 471 . 6 1 1 A 41 41 ALA CA C 41 51.533 51.094 0.439 1
1 472 . 6 1 1 A 41 41 ALA CB C 41 17.990 20.944 -2.954 1
1 473 . 6 1 1 A 41 41 ALA N N 41 123.786 127.223 -3.437 1
1 474 . 6 1 1 A 42 42 THR H H 42 8.358 8.927 -0.569 1
1 475 . 6 1 1 A 42 42 THR HA H 42 5.612 4.749 0.863 1
1 480 . 6 1 1 A 42 42 THR C C 42 175.505 173.266 2.239 1
1 481 . 6 1 1 A 42 42 THR CA C 42 58.816 61.027 -2.211 1
1 482 . 6 1 1 A 42 42 THR CB C 42 71.944 69.187 2.757 1
1 484 . 6 1 1 A 42 42 THR N N 42 108.609 119.108 -10.499 1
1 485 . 6 1 1 A 43 43 TRP H H 43 8.625 8.951 -0.326 1
1 486 . 6 1 1 A 43 43 TRP HA H 43 5.338 5.193 0.145 1
1 494 . 6 1 1 A 43 43 TRP C C 43 177.892 174.780 3.112 1
1 495 . 6 1 1 A 43 43 TRP CA C 43 54.345 55.627 -1.282 1
1 496 . 6 1 1 A 43 43 TRP CB C 43 31.571 31.077 0.494 1
1 501 . 6 1 1 A 43 43 TRP N N 43 117.778 132.663 -14.885 1
1 503 . 6 1 1 A 44 44 SER H H 44 8.451 8.812 -0.361 1
1 504 . 6 1 1 A 44 44 SER HA H 44 4.498 5.034 -0.536 1
1 507 . 6 1 1 A 44 44 SER C C 44 175.850 174.552 1.298 1
1 508 . 6 1 1 A 44 44 SER CA C 44 57.363 57.557 -0.194 1
1 509 . 6 1 1 A 44 44 SER CB C 44 62.550 62.805 -0.255 1
1 510 . 6 1 1 A 44 44 SER N N 44 117.818 124.143 -6.325 1
1 511 . 6 1 1 A 45 45 GLY H H 45 7.513 8.422 -0.909 1
1 512 . 6 1 1 A 45 45 GLY HA2 H 45 4.344 4.288 0.056 1
1 513 . 6 1 1 A 45 45 GLY HA3 H 45 3.775 4.395 -0.620 1
1 514 . 6 1 1 A 45 45 GLY C C 45 172.858 173.047 -0.189 1
1 515 . 6 1 1 A 45 45 GLY CA C 45 44.312 46.171 -1.859 1
1 516 . 6 1 1 A 45 45 GLY N N 45 111.146 112.002 -0.856 1
1 517 . 6 1 1 A 46 46 ARG H H 46 8.534 8.299 0.235 1
1 518 . 6 1 1 A 46 46 ARG HA H 46 4.632 4.224 0.408 1
1 525 . 6 1 1 A 46 46 ARG C C 46 177.983 175.881 2.102 1
1 526 . 6 1 1 A 46 46 ARG CA C 46 53.530 55.613 -2.083 1
1 527 . 6 1 1 A 46 46 ARG CB C 46 31.064 31.003 0.061 1
1 530 . 6 1 1 A 46 46 ARG N N 46 120.921 124.510 -3.589 1
1 531 . 6 1 1 A 47 47 GLY H H 47 8.864 8.605 0.259 1
1 532 . 6 1 1 A 47 47 GLY HA2 H 47 3.919 3.756 0.163 1
1 533 . 6 1 1 A 47 47 GLY HA3 H 47 4.336 3.768 0.568 1
1 534 . 6 1 1 A 47 47 GLY C C 47 177.440 173.009 4.431 1
1 535 . 6 1 1 A 47 47 GLY CA C 47 44.060 47.035 -2.975 1
1 536 . 6 1 1 A 47 47 GLY N N 47 111.872 112.047 -0.175 1
1 537 . 6 1 1 A 48 48 LYS H H 48 7.752 8.520 -0.768 1
1 538 . 6 1 1 A 48 48 LYS HA H 48 4.274 4.590 -0.316 1
1 547 . 6 1 1 A 48 48 LYS C C 48 178.053 175.194 2.859 1
1 548 . 6 1 1 A 48 48 LYS CA C 48 55.302 55.578 -0.276 1
1 549 . 6 1 1 A 48 48 LYS CB C 48 32.162 33.062 -0.900 1
1 550 . 6 1 1 A 48 48 LYS N N 48 125.971 125.525 0.446 1
1 551 . 6 1 1 A 49 49 ILE H H 49 8.236 8.437 -0.201 1
1 552 . 6 1 1 A 49 49 ILE HA H 49 2.797 4.621 -1.824 1
1 562 . 6 1 1 A 49 49 ILE CA C 49 58.222 57.703 0.519 1
1 563 . 6 1 1 A 49 49 ILE CB C 49 37.578 41.497 -3.919 1
1 567 . 6 1 1 A 49 49 ILE N N 49 126.182 127.207 -1.025 1
1 568 . 6 1 1 A 50 50 PRO HA H 50 4.344 4.600 -0.256 1
1 571 . 6 1 1 A 50 50 PRO C C 50 178.547 177.345 1.202 1
1 572 . 6 1 1 A 50 50 PRO CA C 50 60.998 62.877 -1.879 1
1 573 . 6 1 1 A 50 50 PRO CB C 50 32.796 29.955 2.841 1
1 575 . 6 1 1 A 51 51 LYS H H 51 9.065 8.053 1.012 1
1 576 . 6 1 1 A 51 51 LYS HA H 51 4.870 4.083 0.787 1
1 581 . 6 1 1 A 51 51 LYS CA C 51 59.788 60.802 -1.014 1
1 582 . 6 1 1 A 51 51 LYS CB C 51 28.838 30.777 -1.939 1
1 583 . 6 1 1 A 51 51 LYS N N 51 125.299 121.948 3.351 1
1 584 . 6 1 1 A 52 52 PRO HA H 52 4.391 4.426 -0.035 1
1 591 . 6 1 1 A 52 52 PRO C C 52 181.184 178.196 2.988 1
1 592 . 6 1 1 A 52 52 PRO CA C 52 64.975 65.233 -0.258 1
1 593 . 6 1 1 A 52 52 PRO CB C 52 30.072 31.047 -0.975 1
1 595 . 6 1 1 A 53 53 PHE H H 53 7.144 7.675 -0.531 1
1 596 . 6 1 1 A 53 53 PHE HA H 53 3.875 4.014 -0.139 1
1 601 . 6 1 1 A 53 53 PHE C C 53 177.838 177.747 0.091 1
1 602 . 6 1 1 A 53 53 PHE CA C 53 60.265 61.505 -1.240 1
1 603 . 6 1 1 A 53 53 PHE CB C 53 37.091 39.274 -2.183 1
1 606 . 6 1 1 A 53 53 PHE N N 53 116.868 118.736 -1.868 1
1 607 . 6 1 1 A 54 54 GLU H H 54 7.788 8.473 -0.685 1
1 608 . 6 1 1 A 54 54 GLU HA H 54 3.997 3.846 0.151 1
1 613 . 6 1 1 A 54 54 GLU C C 54 180.998 178.542 2.456 1
1 614 . 6 1 1 A 54 54 GLU CA C 54 58.691 59.371 -0.680 1
1 615 . 6 1 1 A 54 54 GLU CB C 54 29.328 29.487 -0.159 1
1 617 . 6 1 1 A 54 54 GLU N N 54 120.523 119.223 1.300 1
1 618 . 6 1 1 A 55 55 ALA H H 55 8.379 7.773 0.606 1
1 619 . 6 1 1 A 55 55 ALA HA H 55 4.086 4.009 0.077 1
1 623 . 6 1 1 A 55 55 ALA C C 55 180.899 179.170 1.729 1
1 624 . 6 1 1 A 55 55 ALA CA C 55 53.119 55.087 -1.968 1
1 625 . 6 1 1 A 55 55 ALA CB C 55 17.854 18.153 -0.299 1
1 626 . 6 1 1 A 55 55 ALA N N 55 119.006 121.161 -2.155 1
1 627 . 6 1 1 A 56 56 TRP H H 56 7.575 7.771 -0.196 1
1 628 . 6 1 1 A 56 56 TRP HA H 56 4.616 4.243 0.373 1
1 634 . 6 1 1 A 56 56 TRP C C 56 179.334 178.137 1.197 1
1 635 . 6 1 1 A 56 56 TRP CA C 56 59.039 61.351 -2.312 1
1 636 . 6 1 1 A 56 56 TRP CB C 56 27.791 29.497 -1.706 1
1 639 . 6 1 1 A 56 56 TRP N N 56 119.770 119.960 -0.190 1
1 641 . 6 1 1 A 57 57 ILE H H 57 7.291 8.083 -0.792 1
1 642 . 6 1 1 A 57 57 ILE HA H 57 2.517 3.950 -1.433 1
1 651 . 6 1 1 A 57 57 ILE C C 57 177.768 177.302 0.466 1
1 652 . 6 1 1 A 57 57 ILE CA C 57 62.722 63.618 -0.896 1
1 653 . 6 1 1 A 57 57 ILE CB C 57 36.507 36.914 -0.407 1
1 657 . 6 1 1 A 57 57 ILE N N 57 117.374 118.231 -0.857 1
1 658 . 6 1 1 A 58 58 GLY H H 58 6.565 7.782 -1.217 1
1 659 . 6 1 1 A 58 58 GLY HA2 H 58 3.985 3.876 0.109 1
1 660 . 6 1 1 A 58 58 GLY HA3 H 58 4.069 3.990 0.079 1
1 661 . 6 1 1 A 58 58 GLY C C 58 178.787 175.683 3.104 1
1 662 . 6 1 1 A 58 58 GLY CA C 58 43.958 45.565 -1.607 1
1 663 . 6 1 1 A 58 58 GLY N N 58 110.422 110.014 0.408 1
1 664 . 6 1 1 A 59 59 THR H H 59 7.629 8.176 -0.547 1
1 665 . 6 1 1 A 59 59 THR HA H 59 4.554 3.875 0.679 1
1 670 . 6 1 1 A 59 59 THR CA C 59 60.466 65.291 -4.825 1
1 671 . 6 1 1 A 59 59 THR CB C 59 71.728 68.301 3.427 1
1 672 . 6 1 1 A 59 59 THR N N 59 111.600 117.471 -5.871 1
1 673 . 6 1 1 A 60 60 ALA H H 60 9.010 7.507 1.503 1
1 674 . 6 1 1 A 60 60 ALA HA H 60 4.917 4.565 0.352 1
1 678 . 6 1 1 A 60 60 ALA C C 60 182.933 178.602 4.331 1
1 679 . 6 1 1 A 60 60 ALA CA C 60 54.222 53.106 1.116 1
1 680 . 6 1 1 A 60 60 ALA CB C 60 18.122 21.055 -2.933 1
1 681 . 6 1 1 A 60 60 ALA N N 60 125.890 120.303 5.587 1
1 682 . 6 1 1 A 61 61 ALA H H 61 8.368 8.178 0.190 1
1 683 . 6 1 1 A 61 61 ALA HA H 61 4.256 4.147 0.109 1
1 687 . 6 1 1 A 61 61 ALA C C 61 182.536 179.389 3.147 1
1 688 . 6 1 1 A 61 61 ALA CA C 61 54.071 55.142 -1.071 1
1 689 . 6 1 1 A 61 61 ALA CB C 61 18.122 18.336 -0.214 1
1 690 . 6 1 1 A 61 61 ALA N N 61 121.272 120.623 0.649 1
1 691 . 6 1 1 A 62 62 TYR H H 62 7.310 8.406 -1.096 1
1 692 . 6 1 1 A 62 62 TYR HA H 62 3.381 4.113 -0.732 1
1 697 . 6 1 1 A 62 62 TYR C C 62 177.889 177.538 0.351 1
1 698 . 6 1 1 A 62 62 TYR CA C 62 60.203 61.816 -1.613 1
1 699 . 6 1 1 A 62 62 TYR CB C 62 36.771 38.626 -1.855 1
1 702 . 6 1 1 A 62 62 TYR N N 62 122.066 120.581 1.485 1
1 703 . 6 1 1 A 63 63 THR H H 63 8.303 8.391 -0.088 1
1 704 . 6 1 1 A 63 63 THR HA H 63 4.405 3.757 0.648 1
1 709 . 6 1 1 A 63 63 THR C C 63 178.200 177.169 1.031 1
1 710 . 6 1 1 A 63 63 THR CA C 63 65.547 65.425 0.122 1
1 711 . 6 1 1 A 63 63 THR CB C 63 67.470 68.858 -1.388 1
1 712 . 6 1 1 A 63 63 THR N N 63 117.473 114.160 3.313 1
1 713 . 6 1 1 A 64 64 ALA H H 64 7.931 7.674 0.257 1
1 714 . 6 1 1 A 64 64 ALA HA H 64 4.220 4.106 0.114 1
1 718 . 6 1 1 A 64 64 ALA C C 64 181.966 179.445 2.521 1
1 719 . 6 1 1 A 64 64 ALA CA C 64 53.966 54.871 -0.905 1
1 720 . 6 1 1 A 64 64 ALA CB C 64 17.432 18.433 -1.001 1
1 721 . 6 1 1 A 64 64 ALA N N 64 123.649 122.915 0.734 1
1 722 . 6 1 1 A 65 65 TRP H H 65 8.049 8.434 -0.385 1
1 723 . 6 1 1 A 65 65 TRP HA H 65 4.294 4.104 0.190 1
1 729 . 6 1 1 A 65 65 TRP C C 65 181.255 178.387 2.868 1
1 730 . 6 1 1 A 65 65 TRP CA C 65 61.458 61.405 0.053 1
1 731 . 6 1 1 A 65 65 TRP CB C 65 27.748 29.772 -2.024 1
1 734 . 6 1 1 A 65 65 TRP N N 65 121.372 120.292 1.080 1
1 736 . 6 1 1 A 66 66 LYS H H 66 9.624 8.475 1.149 1
1 737 . 6 1 1 A 66 66 LYS HA H 66 4.352 4.182 0.170 1
1 745 . 6 1 1 A 66 66 LYS C C 66 180.615 179.057 1.558 1
1 746 . 6 1 1 A 66 66 LYS CA C 66 56.030 59.558 -3.528 1
1 747 . 6 1 1 A 66 66 LYS CB C 66 30.842 31.879 -1.037 1
1 751 . 6 1 1 A 66 66 LYS N N 66 123.631 118.313 5.318 1
1 752 . 6 1 1 A 67 67 ALA H H 67 8.822 8.062 0.760 1
1 753 . 6 1 1 A 67 67 ALA HA H 67 4.027 4.023 0.004 1
1 757 . 6 1 1 A 67 67 ALA C C 67 180.899 179.697 1.202 1
1 758 . 6 1 1 A 67 67 ALA CA C 67 53.759 54.991 -1.232 1
1 759 . 6 1 1 A 67 67 ALA CB C 67 17.534 18.105 -0.571 1
1 760 . 6 1 1 A 67 67 ALA N N 67 120.803 122.107 -1.304 1
1 761 . 6 1 1 A 68 68 LYS H H 68 6.888 7.348 -0.460 1
1 762 . 6 1 1 A 68 68 LYS HA H 68 4.233 4.239 -0.006 1
1 771 . 6 1 1 A 68 68 LYS C C 68 175.989 176.537 -0.548 1
1 772 . 6 1 1 A 68 68 LYS CA C 68 54.355 57.725 -3.370 1
1 773 . 6 1 1 A 68 68 LYS CB C 68 33.056 33.127 -0.071 1
1 777 . 6 1 1 A 68 68 LYS N N 68 113.741 114.887 -1.146 1
1 778 . 6 1 1 A 69 69 HIS H H 69 7.111 7.786 -0.675 1
1 779 . 6 1 1 A 69 69 HIS HA H 69 4.768 4.943 -0.175 1
1 784 . 6 1 1 A 69 69 HIS CA C 69 52.654 53.694 -1.040 1
1 785 . 6 1 1 A 69 69 HIS CB C 69 27.381 32.175 -4.794 1
1 788 . 6 1 1 A 69 69 HIS N N 69 120.596 115.456 5.140 1
1 789 . 6 1 1 A 70 70 PRO HA H 70 4.230 4.694 -0.464 1
1 796 . 6 1 1 A 70 70 PRO C C 70 179.651 175.515 4.136 1
1 797 . 6 1 1 A 70 70 PRO CA C 70 64.184 62.489 1.695 1
1 798 . 6 1 1 A 70 70 PRO CB C 70 30.854 33.024 -2.170 1
1 800 . 6 1 1 A 71 71 ASP H H 71 8.619 8.548 0.071 1
1 801 . 6 1 1 A 71 71 ASP HA H 71 4.917 5.047 -0.130 1
1 804 . 6 1 1 A 71 71 ASP C C 71 177.057 176.388 0.669 1
1 805 . 6 1 1 A 71 71 ASP CA C 71 52.975 53.233 -0.258 1
1 806 . 6 1 1 A 71 71 ASP CB C 71 40.475 39.054 1.421 1
1 807 . 6 1 1 A 71 71 ASP N N 71 116.294 118.722 -2.428 1
1 808 . 6 1 1 A 72 72 GLU H H 72 7.389 8.532 -1.143 1
1 809 . 6 1 1 A 72 72 GLU HA H 72 4.920 4.431 0.489 1
1 814 . 6 1 1 A 72 72 GLU C C 72 176.986 177.142 -0.156 1
1 815 . 6 1 1 A 72 72 GLU CA C 72 54.236 59.100 -4.864 1
1 816 . 6 1 1 A 72 72 GLU CB C 72 33.622 30.937 2.685 1
1 818 . 6 1 1 A 72 72 GLU N N 72 120.136 124.340 -4.204 1
1 819 . 6 1 1 A 73 73 LYS H H 73 9.155 7.880 1.275 1
1 820 . 6 1 1 A 73 73 LYS HA H 73 4.245 4.174 0.071 1
1 829 . 6 1 1 A 73 73 LYS C C 73 176.680 176.334 0.346 1
1 830 . 6 1 1 A 73 73 LYS CA C 73 57.999 56.205 1.794 1
1 831 . 6 1 1 A 73 73 LYS CB C 73 33.418 32.346 1.072 1
1 835 . 6 1 1 A 73 73 LYS N N 73 121.554 120.551 1.003 1
1 836 . 6 1 1 A 74 74 PHE H H 74 7.171 8.493 -1.322 1
1 837 . 6 1 1 A 74 74 PHE HA H 74 4.600 4.558 0.042 1
1 843 . 6 1 1 A 74 74 PHE CA C 74 55.159 57.377 -2.218 1
1 844 . 6 1 1 A 74 74 PHE CB C 74 40.451 40.300 0.151 1
1 848 . 6 1 1 A 74 74 PHE N N 74 111.944 127.148 -15.204 1
1 849 . 6 1 1 A 75 75 PRO HA H 75 4.640 4.261 0.379 1
1 856 . 6 1 1 A 75 75 PRO C C 75 176.914 174.834 2.080 1
1 857 . 6 1 1 A 75 75 PRO CA C 75 62.713 61.915 0.798 1
1 858 . 6 1 1 A 75 75 PRO CB C 75 30.073 28.815 1.258 1
1 860 . 6 1 1 A 76 76 ALA H H 76 9.039 8.450 0.589 1
1 861 . 6 1 1 A 76 76 ALA HA H 76 4.870 5.005 -0.135 1
1 865 . 6 1 1 A 76 76 ALA C C 76 179.974 177.261 2.713 1
1 866 . 6 1 1 A 76 76 ALA CA C 76 50.923 50.907 0.016 1
1 867 . 6 1 1 A 76 76 ALA CB C 76 18.130 20.729 -2.599 1
1 868 . 6 1 1 A 76 76 ALA N N 76 128.387 125.237 3.150 1
1 869 . 6 1 1 A 77 77 PHE H H 77 8.117 8.687 -0.570 1
1 870 . 6 1 1 A 77 77 PHE HA H 77 4.915 5.200 -0.285 1
1 875 . 6 1 1 A 77 77 PHE CA C 77 53.371 54.726 -1.355 1
1 876 . 6 1 1 A 77 77 PHE CB C 77 36.523 41.243 -4.720 1
1 878 . 6 1 1 A 77 77 PHE N N 77 125.115 118.878 6.237 1
1 879 . 6 1 1 A 78 78 PRO HA H 78 4.245 4.757 -0.512 1
1 886 . 6 1 1 A 78 78 PRO C C 78 176.487 175.826 0.661 1
1 887 . 6 1 1 A 78 78 PRO CA C 78 62.480 62.331 0.149 1
1 888 . 6 1 1 A 78 78 PRO CB C 78 30.324 31.305 -0.981 1
1 13 . 7 1 1 A 2 2 ASN H H 2 9.438 9.323 0.115 1
1 14 . 7 1 1 A 2 2 ASN HA H 2 5.912 4.568 1.344 1
1 19 . 7 1 1 A 2 2 ASN C C 2 175.436 176.074 -0.638 1
1 20 . 7 1 1 A 2 2 ASN CA C 2 54.299 56.649 -2.350 1
1 21 . 7 1 1 A 2 2 ASN CB C 2 38.092 38.450 -0.358 1
1 22 . 7 1 1 A 2 2 ASN N N 2 121.344 120.109 1.235 1
1 24 . 7 1 1 A 3 3 VAL H H 3 8.328 7.557 0.771 1
1 25 . 7 1 1 A 3 3 VAL HA H 3 4.161 4.479 -0.318 1
1 30 . 7 1 1 A 3 3 VAL C C 3 178.200 175.386 2.814 1
1 31 . 7 1 1 A 3 3 VAL CA C 3 61.577 62.972 -1.395 1
1 32 . 7 1 1 A 3 3 VAL CB C 3 32.162 31.927 0.235 1
1 34 . 7 1 1 A 3 3 VAL N N 3 122.195 119.121 3.074 1
1 35 . 7 1 1 A 4 4 LYS H H 4 8.474 8.496 -0.022 1
1 36 . 7 1 1 A 4 4 LYS HA H 4 4.283 4.683 -0.400 1
1 44 . 7 1 1 A 4 4 LYS C C 4 177.509 175.091 2.418 1
1 45 . 7 1 1 A 4 4 LYS CA C 4 55.197 55.442 -0.245 1
1 46 . 7 1 1 A 4 4 LYS CB C 4 30.194 35.770 -5.576 1
1 47 . 7 1 1 A 4 4 LYS N N 4 122.239 128.999 -6.760 1
1 48 . 7 1 1 A 5 5 GLN H H 5 8.507 8.670 -0.163 1
1 49 . 7 1 1 A 5 5 GLN HA H 5 4.383 4.412 -0.029 1
1 56 . 7 1 1 A 5 5 GLN C C 5 177.440 176.217 1.223 1
1 57 . 7 1 1 A 5 5 GLN CA C 5 55.081 56.163 -1.082 1
1 58 . 7 1 1 A 5 5 GLN CB C 5 29.505 29.835 -0.330 1
1 60 . 7 1 1 A 5 5 GLN N N 5 123.847 126.202 -2.355 1
1 62 . 7 1 1 A 6 6 LYS H H 6 8.407 8.708 -0.301 1
1 63 . 7 1 1 A 6 6 LYS HA H 6 4.392 4.578 -0.186 1
1 72 . 7 1 1 A 6 6 LYS C C 6 178.373 176.538 1.835 1
1 73 . 7 1 1 A 6 6 LYS CA C 6 61.491 56.509 4.982 1
1 74 . 7 1 1 A 6 6 LYS CB C 6 31.993 33.675 -1.682 1
1 78 . 7 1 1 A 6 6 LYS N N 6 123.099 121.533 1.566 1
1 79 . 7 1 1 A 7 7 SER H H 7 8.516 8.766 -0.250 1
1 80 . 7 1 1 A 7 7 SER HA H 7 4.483 5.476 -0.993 1
1 83 . 7 1 1 A 7 7 SER C C 7 175.401 173.576 1.825 1
1 84 . 7 1 1 A 7 7 SER CA C 7 57.370 56.600 0.770 1
1 85 . 7 1 1 A 7 7 SER CB C 7 62.979 65.367 -2.388 1
1 86 . 7 1 1 A 7 7 SER N N 7 117.184 115.176 2.008 1
1 87 . 7 1 1 A 8 8 GLU H H 8 8.548 9.055 -0.507 1
1 88 . 7 1 1 A 8 8 GLU HA H 8 4.397 5.081 -0.684 1
1 93 . 7 1 1 A 8 8 GLU C C 8 177.785 175.361 2.424 1
1 94 . 7 1 1 A 8 8 GLU CA C 8 55.856 55.280 0.576 1
1 95 . 7 1 1 A 8 8 GLU CB C 8 29.726 30.625 -0.899 1
1 97 . 7 1 1 A 8 8 GLU N N 8 123.697 124.669 -0.972 1
1 98 . 7 1 1 A 9 9 ILE H H 9 8.279 8.783 -0.504 1
1 99 . 7 1 1 A 9 9 ILE HA H 9 4.276 4.716 -0.440 1
1 109 . 7 1 1 A 9 9 ILE C C 9 177.958 175.346 2.612 1
1 110 . 7 1 1 A 9 9 ILE CA C 9 60.538 59.878 0.660 1
1 111 . 7 1 1 A 9 9 ILE CB C 9 37.725 41.220 -3.495 1
1 115 . 7 1 1 A 9 9 ILE N N 9 122.616 125.258 -2.642 1
1 116 . 7 1 1 A 10 10 THR H H 10 8.255 8.666 -0.411 1
1 117 . 7 1 1 A 10 10 THR HA H 10 4.592 4.436 0.156 1
1 122 . 7 1 1 A 10 10 THR C C 10 174.993 174.035 0.958 1
1 123 . 7 1 1 A 10 10 THR CA C 10 61.010 62.368 -1.358 1
1 124 . 7 1 1 A 10 10 THR CB C 10 68.505 69.381 -0.876 1
1 126 . 7 1 1 A 10 10 THR N N 10 119.401 121.517 -2.116 1
1 127 . 7 1 1 A 11 11 ALA H H 11 8.308 8.325 -0.017 1
1 128 . 7 1 1 A 11 11 ALA HA H 11 4.400 4.698 -0.298 1
1 132 . 7 1 1 A 11 11 ALA C C 11 178.822 177.169 1.653 1
1 133 . 7 1 1 A 11 11 ALA CA C 11 51.438 52.056 -0.618 1
1 134 . 7 1 1 A 11 11 ALA CB C 11 18.303 19.148 -0.845 1
1 135 . 7 1 1 A 11 11 ALA N N 11 127.285 126.888 0.397 1
1 136 . 7 1 1 A 12 12 LEU H H 12 8.228 8.835 -0.607 1
1 137 . 7 1 1 A 12 12 LEU HA H 12 4.457 4.853 -0.396 1
1 147 . 7 1 1 A 12 12 LEU C C 12 178.787 176.327 2.460 1
1 148 . 7 1 1 A 12 12 LEU CA C 12 54.261 53.645 0.616 1
1 149 . 7 1 1 A 12 12 LEU CB C 12 41.457 43.703 -2.246 1
1 152 . 7 1 1 A 12 12 LEU N N 12 122.431 124.038 -1.607 1
1 153 . 7 1 1 A 13 13 VAL H H 13 8.171 8.580 -0.409 1
1 154 . 7 1 1 A 13 13 VAL HA H 13 4.164 4.088 0.076 1
1 159 . 7 1 1 A 13 13 VAL C C 13 177.412 175.486 1.926 1
1 160 . 7 1 1 A 13 13 VAL CA C 13 61.489 62.260 -0.771 1
1 161 . 7 1 1 A 13 13 VAL CB C 13 31.791 32.613 -0.822 1
1 163 . 7 1 1 A 13 13 VAL N N 13 122.619 121.225 1.394 1
1 164 . 7 1 1 A 14 14 LYS H H 14 8.459 8.214 0.245 1
1 165 . 7 1 1 A 14 14 LYS HA H 14 4.375 4.440 -0.065 1
1 174 . 7 1 1 A 14 14 LYS C C 14 177.509 176.565 0.944 1
1 175 . 7 1 1 A 14 14 LYS CA C 14 55.532 56.248 -0.716 1
1 176 . 7 1 1 A 14 14 LYS CB C 14 32.114 33.301 -1.187 1
1 180 . 7 1 1 A 14 14 LYS N N 14 125.566 125.626 -0.060 1
1 181 . 7 1 1 A 15 15 GLU H H 15 8.434 8.753 -0.319 1
1 182 . 7 1 1 A 15 15 GLU HA H 15 4.380 4.713 -0.333 1
1 187 . 7 1 1 A 15 15 GLU C C 15 177.440 176.194 1.246 1
1 188 . 7 1 1 A 15 15 GLU CA C 15 55.302 56.355 -1.053 1
1 189 . 7 1 1 A 15 15 GLU CB C 15 29.616 30.309 -0.693 1
1 190 . 7 1 1 A 15 15 GLU N N 15 123.950 124.778 -0.828 1
1 191 . 7 1 1 A 16 16 VAL H H 16 8.326 8.567 -0.241 1
1 192 . 7 1 1 A 16 16 VAL HA H 16 4.205 4.582 -0.377 1
1 197 . 7 1 1 A 16 16 VAL CA C 16 61.613 60.447 1.166 1
1 198 . 7 1 1 A 16 16 VAL CB C 16 32.231 35.502 -3.271 1
1 199 . 7 1 1 A 16 16 VAL N N 16 123.175 123.766 -0.591 1
1 200 . 7 1 1 A 17 17 THR H H 17 8.171 9.009 -0.838 1
1 201 . 7 1 1 A 17 17 THR HA H 17 4.470 4.051 0.419 1
1 206 . 7 1 1 A 17 17 THR CA C 17 57.893 67.487 -9.594 1
1 207 . 7 1 1 A 17 17 THR CB C 17 70.047 67.412 2.635 1
1 208 . 7 1 1 A 17 17 THR N N 17 119.533 119.701 -0.168 1
1 209 . 7 1 1 A 19 19 PRO HA H 19 4.355 4.689 -0.334 1
1 212 . 7 1 1 A 19 19 PRO C C 19 177.057 175.279 1.778 1
1 213 . 7 1 1 A 19 19 PRO CA C 19 61.531 62.415 -0.884 1
1 214 . 7 1 1 A 19 19 PRO CB C 19 31.869 29.231 2.638 1
1 215 . 7 1 1 A 20 20 ARG H H 20 8.435 8.858 -0.423 1
1 216 . 7 1 1 A 20 20 ARG HA H 20 4.391 4.865 -0.474 1
1 223 . 7 1 1 A 20 20 ARG C C 20 177.509 174.050 3.459 1
1 224 . 7 1 1 A 20 20 ARG CA C 20 55.300 55.203 0.097 1
1 225 . 7 1 1 A 20 20 ARG CB C 20 32.492 33.444 -0.952 1
1 228 . 7 1 1 A 20 20 ARG N N 20 126.489 123.654 2.835 1
1 229 . 7 1 1 A 21 21 LYS H H 21 8.426 8.973 -0.547 1
1 230 . 7 1 1 A 21 21 LYS HA H 21 4.397 4.810 -0.413 1
1 239 . 7 1 1 A 21 21 LYS C C 21 177.412 175.364 2.048 1
1 240 . 7 1 1 A 21 21 LYS CA C 21 55.296 55.058 0.238 1
1 241 . 7 1 1 A 21 21 LYS CB C 21 29.837 33.311 -3.474 1
1 244 . 7 1 1 A 21 21 LYS N N 21 123.626 126.775 -3.149 1
1 245 . 7 1 1 A 22 22 ALA H H 22 8.378 8.609 -0.231 1
1 246 . 7 1 1 A 22 22 ALA HA H 22 4.628 4.531 0.097 1
1 250 . 7 1 1 A 22 22 ALA CA C 22 49.376 50.854 -1.478 1
1 251 . 7 1 1 A 22 22 ALA CB C 22 17.501 17.865 -0.364 1
1 252 . 7 1 1 A 22 22 ALA N N 22 127.197 128.035 -0.838 1
1 253 . 7 1 1 A 23 23 PRO HA H 23 4.219 4.856 -0.637 1
1 257 . 7 1 1 A 23 23 PRO C C 23 177.440 175.622 1.818 1
1 258 . 7 1 1 A 23 23 PRO CA C 23 61.724 62.206 -0.482 1
1 259 . 7 1 1 A 23 23 PRO CB C 23 32.162 29.352 2.810 1
1 260 . 7 1 1 A 24 24 SER H H 24 8.425 8.424 0.001 1
1 261 . 7 1 1 A 24 24 SER HA H 24 4.344 4.612 -0.268 1
1 264 . 7 1 1 A 24 24 SER C C 24 175.610 174.516 1.094 1
1 265 . 7 1 1 A 24 24 SER CA C 24 58.845 57.753 1.092 1
1 266 . 7 1 1 A 24 24 SER CB C 24 68.920 64.074 4.846 1
1 267 . 7 1 1 A 24 24 SER N N 24 122.433 117.956 4.477 1
1 268 . 7 1 1 A 25 25 LYS H H 25 8.323 8.480 -0.157 1
1 269 . 7 1 1 A 25 25 LYS HA H 25 4.137 4.534 -0.397 1
1 276 . 7 1 1 A 25 25 LYS C C 25 177.462 175.082 2.380 1
1 277 . 7 1 1 A 25 25 LYS CA C 25 55.504 55.709 -0.205 1
1 278 . 7 1 1 A 25 25 LYS CB C 25 32.155 32.071 0.084 1
1 281 . 7 1 1 A 25 25 LYS N N 25 121.718 125.497 -3.779 1
1 282 . 7 1 1 A 26 26 ALA H H 26 8.333 8.447 -0.114 1
1 283 . 7 1 1 A 26 26 ALA HA H 26 4.334 5.619 -1.285 1
1 287 . 7 1 1 A 26 26 ALA CA C 26 51.512 50.594 0.918 1
1 288 . 7 1 1 A 26 26 ALA CB C 26 18.486 20.707 -2.221 1
1 289 . 7 1 1 A 26 26 ALA N N 26 125.817 128.299 -2.482 1
1 290 . 7 1 1 A 27 27 LYS H H 27 8.347 9.025 -0.678 1
1 291 . 7 1 1 A 27 27 LYS HA H 27 4.354 4.983 -0.629 1
1 300 . 7 1 1 A 27 27 LYS C C 27 177.923 175.459 2.464 1
1 301 . 7 1 1 A 27 27 LYS CA C 27 55.413 54.490 0.923 1
1 302 . 7 1 1 A 27 27 LYS CB C 27 32.162 34.886 -2.724 1
1 306 . 7 1 1 A 27 27 LYS N N 27 121.810 123.460 -1.650 1
1 307 . 7 1 1 A 28 28 ARG H H 28 8.440 8.663 -0.223 1
1 308 . 7 1 1 A 28 28 ARG HA H 28 4.672 4.988 -0.316 1
1 315 . 7 1 1 A 28 28 ARG C C 28 177.474 175.053 2.421 1
1 316 . 7 1 1 A 28 28 ARG CA C 28 55.140 54.883 0.257 1
1 317 . 7 1 1 A 28 28 ARG CB C 28 28.508 30.556 -2.048 1
1 318 . 7 1 1 A 28 28 ARG N N 28 122.679 124.296 -1.617 1
1 319 . 7 1 1 A 29 29 GLU H H 29 8.470 8.506 -0.036 1
1 320 . 7 1 1 A 29 29 GLU HA H 29 4.391 5.148 -0.757 1
1 325 . 7 1 1 A 29 29 GLU C C 29 177.057 175.463 1.594 1
1 326 . 7 1 1 A 29 29 GLU CA C 29 55.634 54.776 0.858 1
1 327 . 7 1 1 A 29 29 GLU CB C 29 32.461 33.221 -0.760 1
1 329 . 7 1 1 A 29 29 GLU N N 29 124.395 123.667 0.728 1
1 330 . 7 1 1 A 30 30 ALA H H 30 8.485 8.604 -0.119 1
1 331 . 7 1 1 A 30 30 ALA HA H 30 4.652 4.623 0.029 1
1 335 . 7 1 1 A 30 30 ALA CA C 30 49.523 50.156 -0.633 1
1 336 . 7 1 1 A 30 30 ALA CB C 30 17.328 19.832 -2.504 1
1 337 . 7 1 1 A 30 30 ALA N N 30 128.118 126.973 1.145 1
1 338 . 7 1 1 A 31 31 PRO HA H 31 4.440 4.684 -0.244 1
1 345 . 7 1 1 A 31 31 PRO C C 31 177.612 176.216 1.396 1
1 346 . 7 1 1 A 31 31 PRO CA C 31 61.605 63.315 -1.710 1
1 347 . 7 1 1 A 31 31 PRO CB C 31 31.616 32.682 -1.066 1
1 348 . 7 1 1 A 32 32 ILE H H 32 8.202 8.138 0.064 1
1 349 . 7 1 1 A 32 32 ILE HA H 32 3.503 4.576 -1.073 1
1 359 . 7 1 1 A 32 32 ILE C C 32 176.061 176.468 -0.407 1
1 360 . 7 1 1 A 32 32 ILE CA C 32 60.929 59.160 1.769 1
1 361 . 7 1 1 A 32 32 ILE CB C 32 37.219 40.543 -3.324 1
1 365 . 7 1 1 A 32 32 ILE N N 32 121.270 116.413 4.857 1
1 366 . 7 1 1 A 33 33 LYS H H 33 7.434 9.377 -1.943 1
1 367 . 7 1 1 A 33 33 LYS HA H 33 4.370 4.364 0.006 1
1 376 . 7 1 1 A 33 33 LYS C C 33 176.960 177.433 -0.473 1
1 377 . 7 1 1 A 33 33 LYS CA C 33 56.553 59.342 -2.789 1
1 378 . 7 1 1 A 33 33 LYS CB C 33 35.043 32.242 2.801 1
1 382 . 7 1 1 A 33 33 LYS N N 33 126.133 124.518 1.615 1
1 383 . 7 1 1 A 34 34 TYR H H 34 7.974 8.472 -0.498 1
1 384 . 7 1 1 A 34 34 TYR HA H 34 4.551 4.240 0.311 1
1 389 . 7 1 1 A 34 34 TYR CA C 34 57.337 61.562 -4.225 1
1 390 . 7 1 1 A 34 34 TYR CB C 34 38.051 38.629 -0.578 1
1 393 . 7 1 1 A 34 34 TYR N N 34 121.936 120.731 1.205 1
1 394 . 7 1 1 A 35 35 TRP H H 35 7.912 8.088 -0.176 1
1 395 . 7 1 1 A 35 35 TRP HA H 35 4.687 4.494 0.193 1
1 403 . 7 1 1 A 35 35 TRP C C 35 171.862 176.024 -4.162 1
1 404 . 7 1 1 A 35 35 TRP CA C 35 56.720 59.846 -3.126 1
1 405 . 7 1 1 A 35 35 TRP CB C 35 28.638 30.901 -2.263 1
1 410 . 7 1 1 A 35 35 TRP N N 35 122.844 121.641 1.203 1
1 412 . 7 1 1 A 36 36 LEU H H 36 7.598 8.079 -0.481 1
1 413 . 7 1 1 A 36 36 LEU HA H 36 4.028 4.760 -0.732 1
1 423 . 7 1 1 A 36 36 LEU CA C 36 47.586 51.201 -3.615 1
1 424 . 7 1 1 A 36 36 LEU CB C 36 39.448 43.803 -4.355 1
1 428 . 7 1 1 A 36 36 LEU N N 36 117.117 118.271 -1.154 1
1 429 . 7 1 1 A 37 37 PRO HA H 37 4.340 4.537 -0.197 1
1 436 . 7 1 1 A 37 37 PRO C C 37 175.850 176.509 -0.659 1
1 437 . 7 1 1 A 37 37 PRO CA C 37 62.513 64.714 -2.201 1
1 438 . 7 1 1 A 37 37 PRO CB C 37 31.510 32.117 -0.607 1
1 439 . 7 1 1 A 38 38 HIS H H 38 7.704 7.983 -0.279 1
1 440 . 7 1 1 A 38 38 HIS HA H 38 4.366 5.033 -0.667 1
1 445 . 7 1 1 A 38 38 HIS C C 38 176.772 173.487 3.285 1
1 446 . 7 1 1 A 38 38 HIS CA C 38 56.604 54.440 2.164 1
1 447 . 7 1 1 A 38 38 HIS CB C 38 28.736 31.216 -2.480 1
1 450 . 7 1 1 A 38 38 HIS N N 38 111.845 115.900 -4.055 1
1 451 . 7 1 1 A 39 39 SER H H 39 6.451 8.898 -2.447 1
1 452 . 7 1 1 A 39 39 SER HA H 39 4.620 4.709 -0.089 1
1 455 . 7 1 1 A 39 39 SER C C 39 176.576 174.829 1.747 1
1 456 . 7 1 1 A 39 39 SER CA C 39 56.604 59.317 -2.713 1
1 457 . 7 1 1 A 39 39 SER CB C 39 65.579 63.601 1.978 1
1 458 . 7 1 1 A 39 39 SER N N 39 113.386 120.985 -7.599 1
1 459 . 7 1 1 A 40 40 GLY H H 40 8.420 8.760 -0.340 1
1 460 . 7 1 1 A 40 40 GLY HA2 H 40 4.346 4.274 0.072 1
1 461 . 7 1 1 A 40 40 GLY HA3 H 40 3.741 4.327 -0.586 1
1 462 . 7 1 1 A 40 40 GLY C C 40 176.997 173.766 3.231 1
1 463 . 7 1 1 A 40 40 GLY CA C 40 44.153 45.650 -1.497 1
1 464 . 7 1 1 A 40 40 GLY N N 40 113.160 111.988 1.172 1
1 465 . 7 1 1 A 41 41 ALA H H 41 7.187 7.921 -0.734 1
1 466 . 7 1 1 A 41 41 ALA HA H 41 4.397 5.137 -0.740 1
1 470 . 7 1 1 A 41 41 ALA C C 41 177.989 175.546 2.443 1
1 471 . 7 1 1 A 41 41 ALA CA C 41 51.533 50.357 1.176 1
1 472 . 7 1 1 A 41 41 ALA CB C 41 17.990 21.564 -3.574 1
1 473 . 7 1 1 A 41 41 ALA N N 41 123.786 124.715 -0.929 1
1 474 . 7 1 1 A 42 42 THR H H 42 8.358 8.742 -0.384 1
1 475 . 7 1 1 A 42 42 THR HA H 42 5.612 4.771 0.841 1
1 480 . 7 1 1 A 42 42 THR C C 42 175.505 173.209 2.296 1
1 481 . 7 1 1 A 42 42 THR CA C 42 58.816 60.551 -1.735 1
1 482 . 7 1 1 A 42 42 THR CB C 42 71.944 69.591 2.353 1
1 484 . 7 1 1 A 42 42 THR N N 42 108.609 117.812 -9.203 1
1 485 . 7 1 1 A 43 43 TRP H H 43 8.625 8.903 -0.278 1
1 486 . 7 1 1 A 43 43 TRP HA H 43 5.338 5.217 0.121 1
1 494 . 7 1 1 A 43 43 TRP C C 43 177.892 174.736 3.156 1
1 495 . 7 1 1 A 43 43 TRP CA C 43 54.345 55.355 -1.010 1
1 496 . 7 1 1 A 43 43 TRP CB C 43 31.571 31.082 0.489 1
1 501 . 7 1 1 A 43 43 TRP N N 43 117.778 132.613 -14.835 1
1 503 . 7 1 1 A 44 44 SER H H 44 8.451 8.994 -0.543 1
1 504 . 7 1 1 A 44 44 SER HA H 44 4.498 4.970 -0.472 1
1 507 . 7 1 1 A 44 44 SER C C 44 175.850 173.757 2.093 1
1 508 . 7 1 1 A 44 44 SER CA C 44 57.363 56.992 0.371 1
1 509 . 7 1 1 A 44 44 SER CB C 44 62.550 63.797 -1.247 1
1 510 . 7 1 1 A 44 44 SER N N 44 117.818 124.059 -6.241 1
1 511 . 7 1 1 A 45 45 GLY H H 45 7.513 8.272 -0.759 1
1 512 . 7 1 1 A 45 45 GLY HA2 H 45 4.344 4.226 0.118 1
1 513 . 7 1 1 A 45 45 GLY HA3 H 45 3.775 4.327 -0.552 1
1 514 . 7 1 1 A 45 45 GLY C C 45 172.858 173.401 -0.543 1
1 515 . 7 1 1 A 45 45 GLY CA C 45 44.312 46.168 -1.856 1
1 516 . 7 1 1 A 45 45 GLY N N 45 111.146 113.652 -2.506 1
1 517 . 7 1 1 A 46 46 ARG H H 46 8.534 8.201 0.333 1
1 518 . 7 1 1 A 46 46 ARG HA H 46 4.632 4.231 0.401 1
1 525 . 7 1 1 A 46 46 ARG C C 46 177.983 176.115 1.868 1
1 526 . 7 1 1 A 46 46 ARG CA C 46 53.530 55.607 -2.077 1
1 527 . 7 1 1 A 46 46 ARG CB C 46 31.064 30.953 0.111 1
1 530 . 7 1 1 A 46 46 ARG N N 46 120.921 123.923 -3.002 1
1 531 . 7 1 1 A 47 47 GLY H H 47 8.864 8.549 0.315 1
1 532 . 7 1 1 A 47 47 GLY HA2 H 47 3.919 3.744 0.175 1
1 533 . 7 1 1 A 47 47 GLY HA3 H 47 4.336 3.762 0.574 1
1 534 . 7 1 1 A 47 47 GLY C C 47 177.440 172.973 4.467 1
1 535 . 7 1 1 A 47 47 GLY CA C 47 44.060 46.646 -2.586 1
1 536 . 7 1 1 A 47 47 GLY N N 47 111.872 112.048 -0.176 1
1 537 . 7 1 1 A 48 48 LYS H H 48 7.752 8.331 -0.579 1
1 538 . 7 1 1 A 48 48 LYS HA H 48 4.274 4.389 -0.115 1
1 547 . 7 1 1 A 48 48 LYS C C 48 178.053 174.844 3.209 1
1 548 . 7 1 1 A 48 48 LYS CA C 48 55.302 55.497 -0.195 1
1 549 . 7 1 1 A 48 48 LYS CB C 48 32.162 32.636 -0.474 1
1 550 . 7 1 1 A 48 48 LYS N N 48 125.971 125.910 0.061 1
1 551 . 7 1 1 A 49 49 ILE H H 49 8.236 8.813 -0.577 1
1 552 . 7 1 1 A 49 49 ILE HA H 49 2.797 4.726 -1.929 1
1 562 . 7 1 1 A 49 49 ILE CA C 49 58.222 57.784 0.438 1
1 563 . 7 1 1 A 49 49 ILE CB C 49 37.578 39.199 -1.621 1
1 567 . 7 1 1 A 49 49 ILE N N 49 126.182 128.353 -2.171 1
1 568 . 7 1 1 A 50 50 PRO HA H 50 4.344 4.593 -0.249 1
1 571 . 7 1 1 A 50 50 PRO C C 50 178.547 176.815 1.732 1
1 572 . 7 1 1 A 50 50 PRO CA C 50 60.998 63.464 -2.466 1
1 573 . 7 1 1 A 50 50 PRO CB C 50 32.796 31.136 1.660 1
1 575 . 7 1 1 A 51 51 LYS H H 51 9.065 8.151 0.914 1
1 576 . 7 1 1 A 51 51 LYS HA H 51 4.870 4.055 0.815 1
1 581 . 7 1 1 A 51 51 LYS CA C 51 59.788 60.770 -0.982 1
1 582 . 7 1 1 A 51 51 LYS CB C 51 28.838 30.253 -1.415 1
1 583 . 7 1 1 A 51 51 LYS N N 51 125.299 120.232 5.067 1
1 584 . 7 1 1 A 52 52 PRO HA H 52 4.391 4.387 0.004 1
1 591 . 7 1 1 A 52 52 PRO C C 52 181.184 179.092 2.092 1
1 592 . 7 1 1 A 52 52 PRO CA C 52 64.975 65.742 -0.767 1
1 593 . 7 1 1 A 52 52 PRO CB C 52 30.072 31.375 -1.303 1
1 595 . 7 1 1 A 53 53 PHE H H 53 7.144 7.750 -0.606 1
1 596 . 7 1 1 A 53 53 PHE HA H 53 3.875 4.058 -0.183 1
1 601 . 7 1 1 A 53 53 PHE C C 53 177.838 177.773 0.065 1
1 602 . 7 1 1 A 53 53 PHE CA C 53 60.265 61.550 -1.285 1
1 603 . 7 1 1 A 53 53 PHE CB C 53 37.091 39.437 -2.346 1
1 606 . 7 1 1 A 53 53 PHE N N 53 116.868 118.598 -1.730 1
1 607 . 7 1 1 A 54 54 GLU H H 54 7.788 8.441 -0.653 1
1 608 . 7 1 1 A 54 54 GLU HA H 54 3.997 3.799 0.198 1
1 613 . 7 1 1 A 54 54 GLU C C 54 180.998 178.613 2.385 1
1 614 . 7 1 1 A 54 54 GLU CA C 54 58.691 59.176 -0.485 1
1 615 . 7 1 1 A 54 54 GLU CB C 54 29.328 29.440 -0.112 1
1 617 . 7 1 1 A 54 54 GLU N N 54 120.523 119.176 1.347 1
1 618 . 7 1 1 A 55 55 ALA H H 55 8.379 8.057 0.322 1
1 619 . 7 1 1 A 55 55 ALA HA H 55 4.086 4.050 0.036 1
1 623 . 7 1 1 A 55 55 ALA C C 55 180.899 179.468 1.431 1
1 624 . 7 1 1 A 55 55 ALA CA C 55 53.119 55.134 -2.015 1
1 625 . 7 1 1 A 55 55 ALA CB C 55 17.854 18.115 -0.261 1
1 626 . 7 1 1 A 55 55 ALA N N 55 119.006 121.282 -2.276 1
1 627 . 7 1 1 A 56 56 TRP H H 56 7.575 7.987 -0.412 1
1 628 . 7 1 1 A 56 56 TRP HA H 56 4.616 4.363 0.253 1
1 634 . 7 1 1 A 56 56 TRP C C 56 179.334 178.075 1.259 1
1 635 . 7 1 1 A 56 56 TRP CA C 56 59.039 61.117 -2.078 1
1 636 . 7 1 1 A 56 56 TRP CB C 56 27.791 29.384 -1.593 1
1 639 . 7 1 1 A 56 56 TRP N N 56 119.770 120.115 -0.345 1
1 641 . 7 1 1 A 57 57 ILE H H 57 7.291 7.912 -0.621 1
1 642 . 7 1 1 A 57 57 ILE HA H 57 2.517 3.855 -1.338 1
1 651 . 7 1 1 A 57 57 ILE C C 57 177.768 177.325 0.443 1
1 652 . 7 1 1 A 57 57 ILE CA C 57 62.722 63.922 -1.200 1
1 653 . 7 1 1 A 57 57 ILE CB C 57 36.507 36.742 -0.235 1
1 657 . 7 1 1 A 57 57 ILE N N 57 117.374 118.342 -0.968 1
1 658 . 7 1 1 A 58 58 GLY H H 58 6.565 7.570 -1.005 1
1 659 . 7 1 1 A 58 58 GLY HA2 H 58 3.985 3.883 0.102 1
1 660 . 7 1 1 A 58 58 GLY HA3 H 58 4.069 3.980 0.089 1
1 661 . 7 1 1 A 58 58 GLY C C 58 178.787 175.669 3.118 1
1 662 . 7 1 1 A 58 58 GLY CA C 58 43.958 45.210 -1.252 1
1 663 . 7 1 1 A 58 58 GLY N N 58 110.422 109.386 1.036 1
1 664 . 7 1 1 A 59 59 THR H H 59 7.629 7.449 0.180 1
1 665 . 7 1 1 A 59 59 THR HA H 59 4.554 3.825 0.729 1
1 670 . 7 1 1 A 59 59 THR CA C 59 60.466 65.104 -4.638 1
1 671 . 7 1 1 A 59 59 THR CB C 59 71.728 67.932 3.796 1
1 672 . 7 1 1 A 59 59 THR N N 59 111.600 117.117 -5.517 1
1 673 . 7 1 1 A 60 60 ALA H H 60 9.010 7.305 1.705 1
1 674 . 7 1 1 A 60 60 ALA HA H 60 4.917 4.481 0.436 1
1 678 . 7 1 1 A 60 60 ALA C C 60 182.933 178.467 4.466 1
1 679 . 7 1 1 A 60 60 ALA CA C 60 54.222 52.977 1.245 1
1 680 . 7 1 1 A 60 60 ALA CB C 60 18.122 20.912 -2.790 1
1 681 . 7 1 1 A 60 60 ALA N N 60 125.890 119.873 6.017 1
1 682 . 7 1 1 A 61 61 ALA H H 61 8.368 7.961 0.407 1
1 683 . 7 1 1 A 61 61 ALA HA H 61 4.256 4.115 0.141 1
1 687 . 7 1 1 A 61 61 ALA C C 61 182.536 179.118 3.418 1
1 688 . 7 1 1 A 61 61 ALA CA C 61 54.071 54.881 -0.810 1
1 689 . 7 1 1 A 61 61 ALA CB C 61 18.122 18.224 -0.102 1
1 690 . 7 1 1 A 61 61 ALA N N 61 121.272 120.719 0.553 1
1 691 . 7 1 1 A 62 62 TYR H H 62 7.310 8.320 -1.010 1
1 692 . 7 1 1 A 62 62 TYR HA H 62 3.381 4.071 -0.690 1
1 697 . 7 1 1 A 62 62 TYR C C 62 177.889 177.369 0.520 1
1 698 . 7 1 1 A 62 62 TYR CA C 62 60.203 61.721 -1.518 1
1 699 . 7 1 1 A 62 62 TYR CB C 62 36.771 38.723 -1.952 1
1 702 . 7 1 1 A 62 62 TYR N N 62 122.066 120.648 1.418 1
1 703 . 7 1 1 A 63 63 THR H H 63 8.303 8.286 0.017 1
1 704 . 7 1 1 A 63 63 THR HA H 63 4.405 3.810 0.595 1
1 709 . 7 1 1 A 63 63 THR C C 63 178.200 177.101 1.099 1
1 710 . 7 1 1 A 63 63 THR CA C 63 65.547 65.429 0.118 1
1 711 . 7 1 1 A 63 63 THR CB C 63 67.470 68.753 -1.283 1
1 712 . 7 1 1 A 63 63 THR N N 63 117.473 114.050 3.423 1
1 713 . 7 1 1 A 64 64 ALA H H 64 7.931 7.670 0.261 1
1 714 . 7 1 1 A 64 64 ALA HA H 64 4.220 4.022 0.198 1
1 718 . 7 1 1 A 64 64 ALA C C 64 181.966 179.262 2.704 1
1 719 . 7 1 1 A 64 64 ALA CA C 64 53.966 54.921 -0.955 1
1 720 . 7 1 1 A 64 64 ALA CB C 64 17.432 18.306 -0.874 1
1 721 . 7 1 1 A 64 64 ALA N N 64 123.649 122.900 0.749 1
1 722 . 7 1 1 A 65 65 TRP H H 65 8.049 8.534 -0.485 1
1 723 . 7 1 1 A 65 65 TRP HA H 65 4.294 4.056 0.238 1
1 729 . 7 1 1 A 65 65 TRP C C 65 181.255 178.148 3.107 1
1 730 . 7 1 1 A 65 65 TRP CA C 65 61.458 61.395 0.063 1
1 731 . 7 1 1 A 65 65 TRP CB C 65 27.748 29.459 -1.711 1
1 734 . 7 1 1 A 65 65 TRP N N 65 121.372 120.498 0.874 1
1 736 . 7 1 1 A 66 66 LYS H H 66 9.624 8.491 1.133 1
1 737 . 7 1 1 A 66 66 LYS HA H 66 4.352 4.159 0.193 1
1 745 . 7 1 1 A 66 66 LYS C C 66 180.615 178.703 1.912 1
1 746 . 7 1 1 A 66 66 LYS CA C 66 56.030 59.370 -3.340 1
1 747 . 7 1 1 A 66 66 LYS CB C 66 30.842 31.928 -1.086 1
1 751 . 7 1 1 A 66 66 LYS N N 66 123.631 117.921 5.710 1
1 752 . 7 1 1 A 67 67 ALA H H 67 8.822 7.606 1.216 1
1 753 . 7 1 1 A 67 67 ALA HA H 67 4.027 4.079 -0.052 1
1 757 . 7 1 1 A 67 67 ALA C C 67 180.899 179.543 1.356 1
1 758 . 7 1 1 A 67 67 ALA CA C 67 53.759 54.897 -1.138 1
1 759 . 7 1 1 A 67 67 ALA CB C 67 17.534 18.250 -0.716 1
1 760 . 7 1 1 A 67 67 ALA N N 67 120.803 122.660 -1.857 1
1 761 . 7 1 1 A 68 68 LYS H H 68 6.888 7.505 -0.617 1
1 762 . 7 1 1 A 68 68 LYS HA H 68 4.233 4.162 0.071 1
1 771 . 7 1 1 A 68 68 LYS C C 68 175.989 176.763 -0.774 1
1 772 . 7 1 1 A 68 68 LYS CA C 68 54.355 58.503 -4.148 1
1 773 . 7 1 1 A 68 68 LYS CB C 68 33.056 32.478 0.578 1
1 777 . 7 1 1 A 68 68 LYS N N 68 113.741 115.215 -1.474 1
1 778 . 7 1 1 A 69 69 HIS H H 69 7.111 7.885 -0.774 1
1 779 . 7 1 1 A 69 69 HIS HA H 69 4.768 4.906 -0.138 1
1 784 . 7 1 1 A 69 69 HIS CA C 69 52.654 53.686 -1.032 1
1 785 . 7 1 1 A 69 69 HIS CB C 69 27.381 32.655 -5.274 1
1 788 . 7 1 1 A 69 69 HIS N N 69 120.596 114.961 5.635 1
1 789 . 7 1 1 A 70 70 PRO HA H 70 4.230 4.306 -0.076 1
1 796 . 7 1 1 A 70 70 PRO C C 70 179.651 176.851 2.800 1
1 797 . 7 1 1 A 70 70 PRO CA C 70 64.184 65.970 -1.786 1
1 798 . 7 1 1 A 70 70 PRO CB C 70 30.854 31.608 -0.754 1
1 800 . 7 1 1 A 71 71 ASP H H 71 8.619 8.038 0.581 1
1 801 . 7 1 1 A 71 71 ASP HA H 71 4.917 4.984 -0.067 1
1 804 . 7 1 1 A 71 71 ASP C C 71 177.057 176.191 0.866 1
1 805 . 7 1 1 A 71 71 ASP CA C 71 52.975 52.542 0.433 1
1 806 . 7 1 1 A 71 71 ASP CB C 71 40.475 41.049 -0.574 1
1 807 . 7 1 1 A 71 71 ASP N N 71 116.294 116.380 -0.086 1
1 808 . 7 1 1 A 72 72 GLU H H 72 7.389 8.502 -1.113 1
1 809 . 7 1 1 A 72 72 GLU HA H 72 4.920 4.476 0.444 1
1 814 . 7 1 1 A 72 72 GLU C C 72 176.986 177.144 -0.158 1
1 815 . 7 1 1 A 72 72 GLU CA C 72 54.236 58.541 -4.305 1
1 816 . 7 1 1 A 72 72 GLU CB C 72 33.622 30.841 2.781 1
1 818 . 7 1 1 A 72 72 GLU N N 72 120.136 125.536 -5.400 1
1 819 . 7 1 1 A 73 73 LYS H H 73 9.155 7.767 1.388 1
1 820 . 7 1 1 A 73 73 LYS HA H 73 4.245 4.079 0.166 1
1 829 . 7 1 1 A 73 73 LYS C C 73 176.680 176.244 0.436 1
1 830 . 7 1 1 A 73 73 LYS CA C 73 57.999 56.128 1.871 1
1 831 . 7 1 1 A 73 73 LYS CB C 73 33.418 32.319 1.099 1
1 835 . 7 1 1 A 73 73 LYS N N 73 121.554 119.887 1.667 1
1 836 . 7 1 1 A 74 74 PHE H H 74 7.171 8.833 -1.662 1
1 837 . 7 1 1 A 74 74 PHE HA H 74 4.600 4.588 0.012 1
1 843 . 7 1 1 A 74 74 PHE CA C 74 55.159 57.159 -2.000 1
1 844 . 7 1 1 A 74 74 PHE CB C 74 40.451 40.321 0.130 1
1 848 . 7 1 1 A 74 74 PHE N N 74 111.944 127.225 -15.281 1
1 849 . 7 1 1 A 75 75 PRO HA H 75 4.640 4.309 0.331 1
1 856 . 7 1 1 A 75 75 PRO C C 75 176.914 174.711 2.203 1
1 857 . 7 1 1 A 75 75 PRO CA C 75 62.713 62.022 0.691 1
1 858 . 7 1 1 A 75 75 PRO CB C 75 30.073 28.774 1.299 1
1 860 . 7 1 1 A 76 76 ALA H H 76 9.039 8.579 0.460 1
1 861 . 7 1 1 A 76 76 ALA HA H 76 4.870 5.075 -0.205 1
1 865 . 7 1 1 A 76 76 ALA C C 76 179.974 177.167 2.807 1
1 866 . 7 1 1 A 76 76 ALA CA C 76 50.923 50.722 0.201 1
1 867 . 7 1 1 A 76 76 ALA CB C 76 18.130 20.785 -2.655 1
1 868 . 7 1 1 A 76 76 ALA N N 76 128.387 125.034 3.353 1
1 869 . 7 1 1 A 77 77 PHE H H 77 8.117 8.747 -0.630 1
1 870 . 7 1 1 A 77 77 PHE HA H 77 4.915 5.190 -0.275 1
1 875 . 7 1 1 A 77 77 PHE CA C 77 53.371 54.802 -1.431 1
1 876 . 7 1 1 A 77 77 PHE CB C 77 36.523 41.204 -4.681 1
1 878 . 7 1 1 A 77 77 PHE N N 77 125.115 118.906 6.209 1
1 879 . 7 1 1 A 78 78 PRO HA H 78 4.245 4.847 -0.602 1
1 886 . 7 1 1 A 78 78 PRO C C 78 176.487 175.938 0.549 1
1 887 . 7 1 1 A 78 78 PRO CA C 78 62.480 62.391 0.089 1
1 888 . 7 1 1 A 78 78 PRO CB C 78 30.324 31.860 -1.536 1
1 13 . 8 1 1 A 2 2 ASN H H 2 9.438 7.828 1.610 1
1 14 . 8 1 1 A 2 2 ASN HA H 2 5.912 4.322 1.590 1
1 19 . 8 1 1 A 2 2 ASN C C 2 175.436 176.156 -0.720 1
1 20 . 8 1 1 A 2 2 ASN CA C 2 54.299 56.428 -2.129 1
1 21 . 8 1 1 A 2 2 ASN CB C 2 38.092 38.143 -0.051 1
1 22 . 8 1 1 A 2 2 ASN N N 2 121.344 122.508 -1.164 1
1 24 . 8 1 1 A 3 3 VAL H H 3 8.328 7.404 0.924 1
1 25 . 8 1 1 A 3 3 VAL HA H 3 4.161 4.515 -0.354 1
1 30 . 8 1 1 A 3 3 VAL C C 3 178.200 175.369 2.831 1
1 31 . 8 1 1 A 3 3 VAL CA C 3 61.577 62.604 -1.027 1
1 32 . 8 1 1 A 3 3 VAL CB C 3 32.162 31.793 0.369 1
1 34 . 8 1 1 A 3 3 VAL N N 3 122.195 118.729 3.466 1
1 35 . 8 1 1 A 4 4 LYS H H 4 8.474 8.262 0.212 1
1 36 . 8 1 1 A 4 4 LYS HA H 4 4.283 4.954 -0.671 1
1 44 . 8 1 1 A 4 4 LYS C C 4 177.509 175.180 2.329 1
1 45 . 8 1 1 A 4 4 LYS CA C 4 55.197 55.110 0.087 1
1 46 . 8 1 1 A 4 4 LYS CB C 4 30.194 36.160 -5.966 1
1 47 . 8 1 1 A 4 4 LYS N N 4 122.239 129.563 -7.324 1
1 48 . 8 1 1 A 5 5 GLN H H 5 8.507 8.621 -0.114 1
1 49 . 8 1 1 A 5 5 GLN HA H 5 4.383 4.442 -0.059 1
1 56 . 8 1 1 A 5 5 GLN C C 5 177.440 175.937 1.503 1
1 57 . 8 1 1 A 5 5 GLN CA C 5 55.081 56.115 -1.034 1
1 58 . 8 1 1 A 5 5 GLN CB C 5 29.505 29.856 -0.351 1
1 60 . 8 1 1 A 5 5 GLN N N 5 123.847 126.513 -2.666 1
1 62 . 8 1 1 A 6 6 LYS H H 6 8.407 8.651 -0.244 1
1 63 . 8 1 1 A 6 6 LYS HA H 6 4.392 4.650 -0.258 1
1 72 . 8 1 1 A 6 6 LYS C C 6 178.373 175.711 2.662 1
1 73 . 8 1 1 A 6 6 LYS CA C 6 61.491 55.884 5.607 1
1 74 . 8 1 1 A 6 6 LYS CB C 6 31.993 34.348 -2.355 1
1 78 . 8 1 1 A 6 6 LYS N N 6 123.099 121.080 2.019 1
1 79 . 8 1 1 A 7 7 SER H H 7 8.516 8.678 -0.162 1
1 80 . 8 1 1 A 7 7 SER HA H 7 4.483 4.942 -0.459 1
1 83 . 8 1 1 A 7 7 SER C C 7 175.401 172.865 2.536 1
1 84 . 8 1 1 A 7 7 SER CA C 7 57.370 56.682 0.688 1
1 85 . 8 1 1 A 7 7 SER CB C 7 62.979 64.439 -1.460 1
1 86 . 8 1 1 A 7 7 SER N N 7 117.184 117.297 -0.113 1
1 87 . 8 1 1 A 8 8 GLU H H 8 8.548 9.049 -0.501 1
1 88 . 8 1 1 A 8 8 GLU HA H 8 4.397 5.007 -0.610 1
1 93 . 8 1 1 A 8 8 GLU C C 8 177.785 175.294 2.491 1
1 94 . 8 1 1 A 8 8 GLU CA C 8 55.856 55.472 0.384 1
1 95 . 8 1 1 A 8 8 GLU CB C 8 29.726 30.227 -0.501 1
1 97 . 8 1 1 A 8 8 GLU N N 8 123.697 127.223 -3.526 1
1 98 . 8 1 1 A 9 9 ILE H H 9 8.279 9.065 -0.786 1
1 99 . 8 1 1 A 9 9 ILE HA H 9 4.276 4.721 -0.445 1
1 109 . 8 1 1 A 9 9 ILE C C 9 177.958 175.403 2.555 1
1 110 . 8 1 1 A 9 9 ILE CA C 9 60.538 59.832 0.706 1
1 111 . 8 1 1 A 9 9 ILE CB C 9 37.725 41.267 -3.542 1
1 115 . 8 1 1 A 9 9 ILE N N 9 122.616 125.200 -2.584 1
1 116 . 8 1 1 A 10 10 THR H H 10 8.255 8.497 -0.242 1
1 117 . 8 1 1 A 10 10 THR HA H 10 4.592 4.413 0.179 1
1 122 . 8 1 1 A 10 10 THR C C 10 174.993 173.991 1.002 1
1 123 . 8 1 1 A 10 10 THR CA C 10 61.010 62.626 -1.616 1
1 124 . 8 1 1 A 10 10 THR CB C 10 68.505 69.313 -0.808 1
1 126 . 8 1 1 A 10 10 THR N N 10 119.401 122.003 -2.602 1
1 127 . 8 1 1 A 11 11 ALA H H 11 8.308 8.329 -0.021 1
1 128 . 8 1 1 A 11 11 ALA HA H 11 4.400 4.412 -0.012 1
1 132 . 8 1 1 A 11 11 ALA C C 11 178.822 177.316 1.506 1
1 133 . 8 1 1 A 11 11 ALA CA C 11 51.438 52.533 -1.095 1
1 134 . 8 1 1 A 11 11 ALA CB C 11 18.303 19.088 -0.785 1
1 135 . 8 1 1 A 11 11 ALA N N 11 127.285 126.779 0.506 1
1 136 . 8 1 1 A 12 12 LEU H H 12 8.228 8.733 -0.505 1
1 137 . 8 1 1 A 12 12 LEU HA H 12 4.457 4.869 -0.412 1
1 147 . 8 1 1 A 12 12 LEU C C 12 178.787 176.383 2.404 1
1 148 . 8 1 1 A 12 12 LEU CA C 12 54.261 53.340 0.921 1
1 149 . 8 1 1 A 12 12 LEU CB C 12 41.457 44.266 -2.809 1
1 152 . 8 1 1 A 12 12 LEU N N 12 122.431 123.066 -0.635 1
1 153 . 8 1 1 A 13 13 VAL H H 13 8.171 8.470 -0.299 1
1 154 . 8 1 1 A 13 13 VAL HA H 13 4.164 4.056 0.108 1
1 159 . 8 1 1 A 13 13 VAL C C 13 177.412 175.517 1.895 1
1 160 . 8 1 1 A 13 13 VAL CA C 13 61.489 62.471 -0.982 1
1 161 . 8 1 1 A 13 13 VAL CB C 13 31.791 32.446 -0.655 1
1 163 . 8 1 1 A 13 13 VAL N N 13 122.619 120.552 2.067 1
1 164 . 8 1 1 A 14 14 LYS H H 14 8.459 8.026 0.433 1
1 165 . 8 1 1 A 14 14 LYS HA H 14 4.375 4.398 -0.023 1
1 174 . 8 1 1 A 14 14 LYS C C 14 177.509 176.936 0.573 1
1 175 . 8 1 1 A 14 14 LYS CA C 14 55.532 56.193 -0.661 1
1 176 . 8 1 1 A 14 14 LYS CB C 14 32.114 33.134 -1.020 1
1 180 . 8 1 1 A 14 14 LYS N N 14 125.566 125.179 0.387 1
1 181 . 8 1 1 A 15 15 GLU H H 15 8.434 8.631 -0.197 1
1 182 . 8 1 1 A 15 15 GLU HA H 15 4.380 4.400 -0.020 1
1 187 . 8 1 1 A 15 15 GLU C C 15 177.440 176.795 0.645 1
1 188 . 8 1 1 A 15 15 GLU CA C 15 55.302 56.571 -1.269 1
1 189 . 8 1 1 A 15 15 GLU CB C 15 29.616 30.009 -0.393 1
1 190 . 8 1 1 A 15 15 GLU N N 15 123.950 123.844 0.106 1
1 191 . 8 1 1 A 16 16 VAL H H 16 8.326 8.505 -0.179 1
1 192 . 8 1 1 A 16 16 VAL HA H 16 4.205 4.713 -0.508 1
1 197 . 8 1 1 A 16 16 VAL CA C 16 61.613 60.597 1.016 1
1 198 . 8 1 1 A 16 16 VAL CB C 16 32.231 35.627 -3.396 1
1 199 . 8 1 1 A 16 16 VAL N N 16 123.175 123.896 -0.721 1
1 200 . 8 1 1 A 17 17 THR H H 17 8.171 8.926 -0.755 1
1 201 . 8 1 1 A 17 17 THR HA H 17 4.470 4.271 0.199 1
1 206 . 8 1 1 A 17 17 THR CA C 17 57.893 67.354 -9.461 1
1 207 . 8 1 1 A 17 17 THR CB C 17 70.047 67.523 2.524 1
1 208 . 8 1 1 A 17 17 THR N N 17 119.533 120.437 -0.904 1
1 209 . 8 1 1 A 19 19 PRO HA H 19 4.355 4.818 -0.463 1
1 212 . 8 1 1 A 19 19 PRO C C 19 177.057 175.691 1.366 1
1 213 . 8 1 1 A 19 19 PRO CA C 19 61.531 62.349 -0.818 1
1 214 . 8 1 1 A 19 19 PRO CB C 19 31.869 29.346 2.523 1
1 215 . 8 1 1 A 20 20 ARG H H 20 8.435 8.778 -0.343 1
1 216 . 8 1 1 A 20 20 ARG HA H 20 4.391 4.628 -0.237 1
1 223 . 8 1 1 A 20 20 ARG C C 20 177.509 174.247 3.262 1
1 224 . 8 1 1 A 20 20 ARG CA C 20 55.300 55.343 -0.043 1
1 225 . 8 1 1 A 20 20 ARG CB C 20 32.492 33.749 -1.257 1
1 228 . 8 1 1 A 20 20 ARG N N 20 126.489 121.970 4.519 1
1 229 . 8 1 1 A 21 21 LYS H H 21 8.426 8.774 -0.348 1
1 230 . 8 1 1 A 21 21 LYS HA H 21 4.397 4.928 -0.531 1
1 239 . 8 1 1 A 21 21 LYS C C 21 177.412 175.214 2.198 1
1 240 . 8 1 1 A 21 21 LYS CA C 21 55.296 54.419 0.877 1
1 241 . 8 1 1 A 21 21 LYS CB C 21 29.837 34.883 -5.046 1
1 244 . 8 1 1 A 21 21 LYS N N 21 123.626 123.867 -0.241 1
1 245 . 8 1 1 A 22 22 ALA H H 22 8.378 8.800 -0.422 1
1 246 . 8 1 1 A 22 22 ALA HA H 22 4.628 4.637 -0.009 1
1 250 . 8 1 1 A 22 22 ALA CA C 22 49.376 49.998 -0.622 1
1 251 . 8 1 1 A 22 22 ALA CB C 22 17.501 20.130 -2.629 1
1 252 . 8 1 1 A 22 22 ALA N N 22 127.197 128.254 -1.057 1
1 253 . 8 1 1 A 23 23 PRO HA H 23 4.219 4.808 -0.589 1
1 257 . 8 1 1 A 23 23 PRO C C 23 177.440 175.396 2.044 1
1 258 . 8 1 1 A 23 23 PRO CA C 23 61.724 62.215 -0.491 1
1 259 . 8 1 1 A 23 23 PRO CB C 23 32.162 29.290 2.872 1
1 260 . 8 1 1 A 24 24 SER H H 24 8.425 8.476 -0.051 1
1 261 . 8 1 1 A 24 24 SER HA H 24 4.344 4.707 -0.363 1
1 264 . 8 1 1 A 24 24 SER C C 24 175.610 174.248 1.362 1
1 265 . 8 1 1 A 24 24 SER CA C 24 58.845 57.547 1.298 1
1 266 . 8 1 1 A 24 24 SER CB C 24 68.920 64.085 4.835 1
1 267 . 8 1 1 A 24 24 SER N N 24 122.433 118.053 4.380 1
1 268 . 8 1 1 A 25 25 LYS H H 25 8.323 8.588 -0.265 1
1 269 . 8 1 1 A 25 25 LYS HA H 25 4.137 4.511 -0.374 1
1 276 . 8 1 1 A 25 25 LYS C C 25 177.462 175.004 2.458 1
1 277 . 8 1 1 A 25 25 LYS CA C 25 55.504 55.826 -0.322 1
1 278 . 8 1 1 A 25 25 LYS CB C 25 32.155 31.990 0.165 1
1 281 . 8 1 1 A 25 25 LYS N N 25 121.718 125.231 -3.513 1
1 282 . 8 1 1 A 26 26 ALA H H 26 8.333 8.392 -0.059 1
1 283 . 8 1 1 A 26 26 ALA HA H 26 4.334 5.749 -1.415 1
1 287 . 8 1 1 A 26 26 ALA CA C 26 51.512 50.206 1.306 1
1 288 . 8 1 1 A 26 26 ALA CB C 26 18.486 22.539 -4.053 1
1 289 . 8 1 1 A 26 26 ALA N N 26 125.817 128.711 -2.894 1
1 290 . 8 1 1 A 27 27 LYS H H 27 8.347 8.705 -0.358 1
1 291 . 8 1 1 A 27 27 LYS HA H 27 4.354 5.086 -0.732 1
1 300 . 8 1 1 A 27 27 LYS C C 27 177.923 175.080 2.843 1
1 301 . 8 1 1 A 27 27 LYS CA C 27 55.413 54.966 0.447 1
1 302 . 8 1 1 A 27 27 LYS CB C 27 32.162 35.778 -3.616 1
1 306 . 8 1 1 A 27 27 LYS N N 27 121.810 122.295 -0.485 1
1 307 . 8 1 1 A 28 28 ARG H H 28 8.440 8.431 0.009 1
1 308 . 8 1 1 A 28 28 ARG HA H 28 4.672 5.222 -0.550 1
1 315 . 8 1 1 A 28 28 ARG C C 28 177.474 175.469 2.005 1
1 316 . 8 1 1 A 28 28 ARG CA C 28 55.140 54.815 0.325 1
1 317 . 8 1 1 A 28 28 ARG CB C 28 28.508 31.856 -3.348 1
1 318 . 8 1 1 A 28 28 ARG N N 28 122.679 123.931 -1.252 1
1 319 . 8 1 1 A 29 29 GLU H H 29 8.470 8.497 -0.027 1
1 320 . 8 1 1 A 29 29 GLU HA H 29 4.391 5.294 -0.903 1
1 325 . 8 1 1 A 29 29 GLU C C 29 177.057 175.278 1.779 1
1 326 . 8 1 1 A 29 29 GLU CA C 29 55.634 54.490 1.144 1
1 327 . 8 1 1 A 29 29 GLU CB C 29 32.461 33.819 -1.358 1
1 329 . 8 1 1 A 29 29 GLU N N 29 124.395 123.179 1.216 1
1 330 . 8 1 1 A 30 30 ALA H H 30 8.485 8.788 -0.303 1
1 331 . 8 1 1 A 30 30 ALA HA H 30 4.652 4.750 -0.098 1
1 335 . 8 1 1 A 30 30 ALA CA C 30 49.523 49.767 -0.244 1
1 336 . 8 1 1 A 30 30 ALA CB C 30 17.328 20.105 -2.777 1
1 337 . 8 1 1 A 30 30 ALA N N 30 128.118 125.748 2.370 1
1 338 . 8 1 1 A 31 31 PRO HA H 31 4.440 4.766 -0.326 1
1 345 . 8 1 1 A 31 31 PRO C C 31 177.612 176.504 1.108 1
1 346 . 8 1 1 A 31 31 PRO CA C 31 61.605 62.297 -0.692 1
1 347 . 8 1 1 A 31 31 PRO CB C 31 31.616 32.993 -1.377 1
1 348 . 8 1 1 A 32 32 ILE H H 32 8.202 8.297 -0.095 1
1 349 . 8 1 1 A 32 32 ILE HA H 32 3.503 4.549 -1.046 1
1 359 . 8 1 1 A 32 32 ILE C C 32 176.061 176.343 -0.282 1
1 360 . 8 1 1 A 32 32 ILE CA C 32 60.929 59.327 1.602 1
1 361 . 8 1 1 A 32 32 ILE CB C 32 37.219 39.836 -2.617 1
1 365 . 8 1 1 A 32 32 ILE N N 32 121.270 118.391 2.879 1
1 366 . 8 1 1 A 33 33 LYS H H 33 7.434 9.447 -2.013 1
1 367 . 8 1 1 A 33 33 LYS HA H 33 4.370 4.418 -0.048 1
1 376 . 8 1 1 A 33 33 LYS C C 33 176.960 177.395 -0.435 1
1 377 . 8 1 1 A 33 33 LYS CA C 33 56.553 59.134 -2.581 1
1 378 . 8 1 1 A 33 33 LYS CB C 33 35.043 32.480 2.563 1
1 382 . 8 1 1 A 33 33 LYS N N 33 126.133 124.478 1.655 1
1 383 . 8 1 1 A 34 34 TYR H H 34 7.974 8.514 -0.540 1
1 384 . 8 1 1 A 34 34 TYR HA H 34 4.551 4.251 0.300 1
1 389 . 8 1 1 A 34 34 TYR CA C 34 57.337 61.619 -4.282 1
1 390 . 8 1 1 A 34 34 TYR CB C 34 38.051 38.602 -0.551 1
1 393 . 8 1 1 A 34 34 TYR N N 34 121.936 120.625 1.311 1
1 394 . 8 1 1 A 35 35 TRP H H 35 7.912 7.983 -0.071 1
1 395 . 8 1 1 A 35 35 TRP HA H 35 4.687 4.446 0.241 1
1 403 . 8 1 1 A 35 35 TRP C C 35 171.862 175.804 -3.942 1
1 404 . 8 1 1 A 35 35 TRP CA C 35 56.720 60.057 -3.337 1
1 405 . 8 1 1 A 35 35 TRP CB C 35 28.638 31.058 -2.420 1
1 410 . 8 1 1 A 35 35 TRP N N 35 122.844 121.789 1.055 1
1 412 . 8 1 1 A 36 36 LEU H H 36 7.598 7.602 -0.004 1
1 413 . 8 1 1 A 36 36 LEU HA H 36 4.028 4.711 -0.683 1
1 423 . 8 1 1 A 36 36 LEU CA C 36 47.586 50.994 -3.408 1
1 424 . 8 1 1 A 36 36 LEU CB C 36 39.448 44.076 -4.628 1
1 428 . 8 1 1 A 36 36 LEU N N 36 117.117 116.475 0.642 1
1 429 . 8 1 1 A 37 37 PRO HA H 37 4.340 4.506 -0.166 1
1 436 . 8 1 1 A 37 37 PRO C C 37 175.850 176.412 -0.562 1
1 437 . 8 1 1 A 37 37 PRO CA C 37 62.513 64.372 -1.859 1
1 438 . 8 1 1 A 37 37 PRO CB C 37 31.510 31.773 -0.263 1
1 439 . 8 1 1 A 38 38 HIS H H 38 7.704 7.832 -0.128 1
1 440 . 8 1 1 A 38 38 HIS HA H 38 4.366 4.923 -0.557 1
1 445 . 8 1 1 A 38 38 HIS C C 38 176.772 173.668 3.104 1
1 446 . 8 1 1 A 38 38 HIS CA C 38 56.604 54.192 2.412 1
1 447 . 8 1 1 A 38 38 HIS CB C 38 28.736 31.008 -2.272 1
1 450 . 8 1 1 A 38 38 HIS N N 38 111.845 116.002 -4.157 1
1 451 . 8 1 1 A 39 39 SER H H 39 6.451 8.584 -2.133 1
1 452 . 8 1 1 A 39 39 SER HA H 39 4.620 4.685 -0.065 1
1 455 . 8 1 1 A 39 39 SER C C 39 176.576 174.580 1.996 1
1 456 . 8 1 1 A 39 39 SER CA C 39 56.604 59.312 -2.708 1
1 457 . 8 1 1 A 39 39 SER CB C 39 65.579 62.764 2.815 1
1 458 . 8 1 1 A 39 39 SER N N 39 113.386 123.730 -10.344 1
1 459 . 8 1 1 A 40 40 GLY H H 40 8.420 8.490 -0.070 1
1 460 . 8 1 1 A 40 40 GLY HA2 H 40 4.346 4.141 0.205 1
1 461 . 8 1 1 A 40 40 GLY HA3 H 40 3.741 4.213 -0.472 1
1 462 . 8 1 1 A 40 40 GLY C C 40 176.997 173.364 3.633 1
1 463 . 8 1 1 A 40 40 GLY CA C 40 44.153 45.539 -1.386 1
1 464 . 8 1 1 A 40 40 GLY N N 40 113.160 113.696 -0.536 1
1 465 . 8 1 1 A 41 41 ALA H H 41 7.187 8.542 -1.355 1
1 466 . 8 1 1 A 41 41 ALA HA H 41 4.397 5.281 -0.884 1
1 470 . 8 1 1 A 41 41 ALA C C 41 177.989 175.468 2.521 1
1 471 . 8 1 1 A 41 41 ALA CA C 41 51.533 50.535 0.998 1
1 472 . 8 1 1 A 41 41 ALA CB C 41 17.990 22.023 -4.033 1
1 473 . 8 1 1 A 41 41 ALA N N 41 123.786 124.562 -0.776 1
1 474 . 8 1 1 A 42 42 THR H H 42 8.358 8.763 -0.405 1
1 475 . 8 1 1 A 42 42 THR HA H 42 5.612 4.996 0.616 1
1 480 . 8 1 1 A 42 42 THR C C 42 175.505 173.216 2.289 1
1 481 . 8 1 1 A 42 42 THR CA C 42 58.816 61.590 -2.774 1
1 482 . 8 1 1 A 42 42 THR CB C 42 71.944 69.626 2.318 1
1 484 . 8 1 1 A 42 42 THR N N 42 108.609 117.926 -9.317 1
1 485 . 8 1 1 A 43 43 TRP H H 43 8.625 8.853 -0.228 1
1 486 . 8 1 1 A 43 43 TRP HA H 43 5.338 5.343 -0.005 1
1 494 . 8 1 1 A 43 43 TRP C C 43 177.892 174.658 3.234 1
1 495 . 8 1 1 A 43 43 TRP CA C 43 54.345 54.763 -0.418 1
1 496 . 8 1 1 A 43 43 TRP CB C 43 31.571 32.216 -0.645 1
1 501 . 8 1 1 A 43 43 TRP N N 43 117.778 131.988 -14.210 1
1 503 . 8 1 1 A 44 44 SER H H 44 8.451 9.012 -0.561 1
1 504 . 8 1 1 A 44 44 SER HA H 44 4.498 5.336 -0.838 1
1 507 . 8 1 1 A 44 44 SER C C 44 175.850 173.935 1.915 1
1 508 . 8 1 1 A 44 44 SER CA C 44 57.363 57.306 0.057 1
1 509 . 8 1 1 A 44 44 SER CB C 44 62.550 64.344 -1.794 1
1 510 . 8 1 1 A 44 44 SER N N 44 117.818 120.341 -2.523 1
1 511 . 8 1 1 A 45 45 GLY H H 45 7.513 8.451 -0.938 1
1 512 . 8 1 1 A 45 45 GLY HA2 H 45 4.344 4.182 0.162 1
1 513 . 8 1 1 A 45 45 GLY HA3 H 45 3.775 4.263 -0.488 1
1 514 . 8 1 1 A 45 45 GLY C C 45 172.858 174.033 -1.175 1
1 515 . 8 1 1 A 45 45 GLY CA C 45 44.312 46.119 -1.807 1
1 516 . 8 1 1 A 45 45 GLY N N 45 111.146 111.649 -0.503 1
1 517 . 8 1 1 A 46 46 ARG H H 46 8.534 8.018 0.516 1
1 518 . 8 1 1 A 46 46 ARG HA H 46 4.632 4.194 0.438 1
1 525 . 8 1 1 A 46 46 ARG C C 46 177.983 175.907 2.076 1
1 526 . 8 1 1 A 46 46 ARG CA C 46 53.530 55.622 -2.092 1
1 527 . 8 1 1 A 46 46 ARG CB C 46 31.064 30.501 0.563 1
1 530 . 8 1 1 A 46 46 ARG N N 46 120.921 123.587 -2.666 1
1 531 . 8 1 1 A 47 47 GLY H H 47 8.864 8.670 0.194 1
1 532 . 8 1 1 A 47 47 GLY HA2 H 47 3.919 3.771 0.148 1
1 533 . 8 1 1 A 47 47 GLY HA3 H 47 4.336 3.788 0.548 1
1 534 . 8 1 1 A 47 47 GLY C C 47 177.440 174.052 3.388 1
1 535 . 8 1 1 A 47 47 GLY CA C 47 44.060 46.796 -2.736 1
1 536 . 8 1 1 A 47 47 GLY N N 47 111.872 112.262 -0.390 1
1 537 . 8 1 1 A 48 48 LYS H H 48 7.752 7.657 0.095 1
1 538 . 8 1 1 A 48 48 LYS HA H 48 4.274 4.366 -0.092 1
1 547 . 8 1 1 A 48 48 LYS C C 48 178.053 175.814 2.239 1
1 548 . 8 1 1 A 48 48 LYS CA C 48 55.302 55.728 -0.426 1
1 549 . 8 1 1 A 48 48 LYS CB C 48 32.162 32.542 -0.380 1
1 550 . 8 1 1 A 48 48 LYS N N 48 125.971 120.477 5.494 1
1 551 . 8 1 1 A 49 49 ILE H H 49 8.236 8.562 -0.326 1
1 552 . 8 1 1 A 49 49 ILE HA H 49 2.797 4.639 -1.842 1
1 562 . 8 1 1 A 49 49 ILE CA C 49 58.222 57.692 0.530 1
1 563 . 8 1 1 A 49 49 ILE CB C 49 37.578 40.956 -3.378 1
1 567 . 8 1 1 A 49 49 ILE N N 49 126.182 124.561 1.621 1
1 568 . 8 1 1 A 50 50 PRO HA H 50 4.344 4.603 -0.259 1
1 571 . 8 1 1 A 50 50 PRO C C 50 178.547 176.566 1.981 1
1 572 . 8 1 1 A 50 50 PRO CA C 50 60.998 63.286 -2.288 1
1 573 . 8 1 1 A 50 50 PRO CB C 50 32.796 30.740 2.056 1
1 575 . 8 1 1 A 51 51 LYS H H 51 9.065 8.339 0.726 1
1 576 . 8 1 1 A 51 51 LYS HA H 51 4.870 4.045 0.825 1
1 581 . 8 1 1 A 51 51 LYS CA C 51 59.788 60.250 -0.462 1
1 582 . 8 1 1 A 51 51 LYS CB C 51 28.838 31.106 -2.268 1
1 583 . 8 1 1 A 51 51 LYS N N 51 125.299 120.958 4.341 1
1 584 . 8 1 1 A 52 52 PRO HA H 52 4.391 4.463 -0.072 1
1 591 . 8 1 1 A 52 52 PRO C C 52 181.184 179.078 2.106 1
1 592 . 8 1 1 A 52 52 PRO CA C 52 64.975 65.421 -0.446 1
1 593 . 8 1 1 A 52 52 PRO CB C 52 30.072 31.246 -1.174 1
1 595 . 8 1 1 A 53 53 PHE H H 53 7.144 7.670 -0.526 1
1 596 . 8 1 1 A 53 53 PHE HA H 53 3.875 4.024 -0.149 1
1 601 . 8 1 1 A 53 53 PHE C C 53 177.838 177.751 0.087 1
1 602 . 8 1 1 A 53 53 PHE CA C 53 60.265 61.515 -1.250 1
1 603 . 8 1 1 A 53 53 PHE CB C 53 37.091 39.287 -2.196 1
1 606 . 8 1 1 A 53 53 PHE N N 53 116.868 118.584 -1.716 1
1 607 . 8 1 1 A 54 54 GLU H H 54 7.788 8.398 -0.610 1
1 608 . 8 1 1 A 54 54 GLU HA H 54 3.997 3.904 0.093 1
1 613 . 8 1 1 A 54 54 GLU C C 54 180.998 178.852 2.146 1
1 614 . 8 1 1 A 54 54 GLU CA C 54 58.691 58.846 -0.155 1
1 615 . 8 1 1 A 54 54 GLU CB C 54 29.328 29.518 -0.190 1
1 617 . 8 1 1 A 54 54 GLU N N 54 120.523 119.281 1.242 1
1 618 . 8 1 1 A 55 55 ALA H H 55 8.379 7.782 0.597 1
1 619 . 8 1 1 A 55 55 ALA HA H 55 4.086 4.170 -0.084 1
1 623 . 8 1 1 A 55 55 ALA C C 55 180.899 179.150 1.749 1
1 624 . 8 1 1 A 55 55 ALA CA C 55 53.119 55.081 -1.962 1
1 625 . 8 1 1 A 55 55 ALA CB C 55 17.854 18.477 -0.623 1
1 626 . 8 1 1 A 55 55 ALA N N 55 119.006 121.759 -2.753 1
1 627 . 8 1 1 A 56 56 TRP H H 56 7.575 7.873 -0.298 1
1 628 . 8 1 1 A 56 56 TRP HA H 56 4.616 4.248 0.368 1
1 634 . 8 1 1 A 56 56 TRP C C 56 179.334 177.933 1.401 1
1 635 . 8 1 1 A 56 56 TRP CA C 56 59.039 61.598 -2.559 1
1 636 . 8 1 1 A 56 56 TRP CB C 56 27.791 29.568 -1.777 1
1 639 . 8 1 1 A 56 56 TRP N N 56 119.770 119.967 -0.197 1
1 641 . 8 1 1 A 57 57 ILE H H 57 7.291 8.188 -0.897 1
1 642 . 8 1 1 A 57 57 ILE HA H 57 2.517 3.932 -1.415 1
1 651 . 8 1 1 A 57 57 ILE C C 57 177.768 177.628 0.140 1
1 652 . 8 1 1 A 57 57 ILE CA C 57 62.722 64.001 -1.279 1
1 653 . 8 1 1 A 57 57 ILE CB C 57 36.507 36.743 -0.236 1
1 657 . 8 1 1 A 57 57 ILE N N 57 117.374 118.494 -1.120 1
1 658 . 8 1 1 A 58 58 GLY H H 58 6.565 7.744 -1.179 1
1 659 . 8 1 1 A 58 58 GLY HA2 H 58 3.985 3.759 0.226 1
1 660 . 8 1 1 A 58 58 GLY HA3 H 58 4.069 3.880 0.189 1
1 661 . 8 1 1 A 58 58 GLY C C 58 178.787 175.599 3.188 1
1 662 . 8 1 1 A 58 58 GLY CA C 58 43.958 46.527 -2.569 1
1 663 . 8 1 1 A 58 58 GLY N N 58 110.422 109.832 0.590 1
1 664 . 8 1 1 A 59 59 THR H H 59 7.629 8.121 -0.492 1
1 665 . 8 1 1 A 59 59 THR HA H 59 4.554 3.874 0.680 1
1 670 . 8 1 1 A 59 59 THR CA C 59 60.466 65.464 -4.998 1
1 671 . 8 1 1 A 59 59 THR CB C 59 71.728 68.247 3.481 1
1 672 . 8 1 1 A 59 59 THR N N 59 111.600 117.216 -5.616 1
1 673 . 8 1 1 A 60 60 ALA H H 60 9.010 7.459 1.551 1
1 674 . 8 1 1 A 60 60 ALA HA H 60 4.917 4.549 0.368 1
1 678 . 8 1 1 A 60 60 ALA C C 60 182.933 178.653 4.280 1
1 679 . 8 1 1 A 60 60 ALA CA C 60 54.222 53.043 1.179 1
1 680 . 8 1 1 A 60 60 ALA CB C 60 18.122 20.944 -2.822 1
1 681 . 8 1 1 A 60 60 ALA N N 60 125.890 120.043 5.847 1
1 682 . 8 1 1 A 61 61 ALA H H 61 8.368 8.127 0.241 1
1 683 . 8 1 1 A 61 61 ALA HA H 61 4.256 4.159 0.097 1
1 687 . 8 1 1 A 61 61 ALA C C 61 182.536 179.282 3.254 1
1 688 . 8 1 1 A 61 61 ALA CA C 61 54.071 54.845 -0.774 1
1 689 . 8 1 1 A 61 61 ALA CB C 61 18.122 18.372 -0.250 1
1 690 . 8 1 1 A 61 61 ALA N N 61 121.272 120.134 1.138 1
1 691 . 8 1 1 A 62 62 TYR H H 62 7.310 8.020 -0.710 1
1 692 . 8 1 1 A 62 62 TYR HA H 62 3.381 4.108 -0.727 1
1 697 . 8 1 1 A 62 62 TYR C C 62 177.889 177.536 0.353 1
1 698 . 8 1 1 A 62 62 TYR CA C 62 60.203 61.805 -1.602 1
1 699 . 8 1 1 A 62 62 TYR CB C 62 36.771 38.697 -1.926 1
1 702 . 8 1 1 A 62 62 TYR N N 62 122.066 120.726 1.340 1
1 703 . 8 1 1 A 63 63 THR H H 63 8.303 8.386 -0.083 1
1 704 . 8 1 1 A 63 63 THR HA H 63 4.405 3.761 0.644 1
1 709 . 8 1 1 A 63 63 THR C C 63 178.200 176.912 1.288 1
1 710 . 8 1 1 A 63 63 THR CA C 63 65.547 65.503 0.044 1
1 711 . 8 1 1 A 63 63 THR CB C 63 67.470 68.846 -1.376 1
1 712 . 8 1 1 A 63 63 THR N N 63 117.473 114.140 3.333 1
1 713 . 8 1 1 A 64 64 ALA H H 64 7.931 7.806 0.125 1
1 714 . 8 1 1 A 64 64 ALA HA H 64 4.220 4.146 0.074 1
1 718 . 8 1 1 A 64 64 ALA C C 64 181.966 179.694 2.272 1
1 719 . 8 1 1 A 64 64 ALA CA C 64 53.966 54.648 -0.682 1
1 720 . 8 1 1 A 64 64 ALA CB C 64 17.432 18.451 -1.019 1
1 721 . 8 1 1 A 64 64 ALA N N 64 123.649 123.075 0.574 1
1 722 . 8 1 1 A 65 65 TRP H H 65 8.049 8.481 -0.432 1
1 723 . 8 1 1 A 65 65 TRP HA H 65 4.294 4.133 0.161 1
1 729 . 8 1 1 A 65 65 TRP C C 65 181.255 178.641 2.614 1
1 730 . 8 1 1 A 65 65 TRP CA C 65 61.458 61.418 0.040 1
1 731 . 8 1 1 A 65 65 TRP CB C 65 27.748 29.770 -2.022 1
1 734 . 8 1 1 A 65 65 TRP N N 65 121.372 120.297 1.075 1
1 736 . 8 1 1 A 66 66 LYS H H 66 9.624 8.485 1.139 1
1 737 . 8 1 1 A 66 66 LYS HA H 66 4.352 4.156 0.196 1
1 745 . 8 1 1 A 66 66 LYS C C 66 180.615 179.087 1.528 1
1 746 . 8 1 1 A 66 66 LYS CA C 66 56.030 59.644 -3.614 1
1 747 . 8 1 1 A 66 66 LYS CB C 66 30.842 31.931 -1.089 1
1 751 . 8 1 1 A 66 66 LYS N N 66 123.631 118.479 5.152 1
1 752 . 8 1 1 A 67 67 ALA H H 67 8.822 8.084 0.738 1
1 753 . 8 1 1 A 67 67 ALA HA H 67 4.027 4.025 0.002 1
1 757 . 8 1 1 A 67 67 ALA C C 67 180.899 179.852 1.047 1
1 758 . 8 1 1 A 67 67 ALA CA C 67 53.759 55.025 -1.266 1
1 759 . 8 1 1 A 67 67 ALA CB C 67 17.534 18.180 -0.646 1
1 760 . 8 1 1 A 67 67 ALA N N 67 120.803 122.358 -1.555 1
1 761 . 8 1 1 A 68 68 LYS H H 68 6.888 7.460 -0.572 1
1 762 . 8 1 1 A 68 68 LYS HA H 68 4.233 4.229 0.004 1
1 771 . 8 1 1 A 68 68 LYS C C 68 175.989 176.582 -0.593 1
1 772 . 8 1 1 A 68 68 LYS CA C 68 54.355 57.863 -3.508 1
1 773 . 8 1 1 A 68 68 LYS CB C 68 33.056 32.863 0.193 1
1 777 . 8 1 1 A 68 68 LYS N N 68 113.741 115.428 -1.687 1
1 778 . 8 1 1 A 69 69 HIS H H 69 7.111 8.086 -0.975 1
1 779 . 8 1 1 A 69 69 HIS HA H 69 4.768 4.954 -0.186 1
1 784 . 8 1 1 A 69 69 HIS CA C 69 52.654 53.647 -0.993 1
1 785 . 8 1 1 A 69 69 HIS CB C 69 27.381 32.965 -5.584 1
1 788 . 8 1 1 A 69 69 HIS N N 69 120.596 115.701 4.895 1
1 789 . 8 1 1 A 70 70 PRO HA H 70 4.230 4.348 -0.118 1
1 796 . 8 1 1 A 70 70 PRO C C 70 179.651 176.604 3.047 1
1 797 . 8 1 1 A 70 70 PRO CA C 70 64.184 65.549 -1.365 1
1 798 . 8 1 1 A 70 70 PRO CB C 70 30.854 31.669 -0.815 1
1 800 . 8 1 1 A 71 71 ASP H H 71 8.619 8.074 0.545 1
1 801 . 8 1 1 A 71 71 ASP HA H 71 4.917 5.014 -0.097 1
1 804 . 8 1 1 A 71 71 ASP C C 71 177.057 176.292 0.765 1
1 805 . 8 1 1 A 71 71 ASP CA C 71 52.975 52.811 0.164 1
1 806 . 8 1 1 A 71 71 ASP CB C 71 40.475 41.018 -0.543 1
1 807 . 8 1 1 A 71 71 ASP N N 71 116.294 116.201 0.093 1
1 808 . 8 1 1 A 72 72 GLU H H 72 7.389 8.478 -1.089 1
1 809 . 8 1 1 A 72 72 GLU HA H 72 4.920 4.342 0.578 1
1 814 . 8 1 1 A 72 72 GLU C C 72 176.986 177.510 -0.524 1
1 815 . 8 1 1 A 72 72 GLU CA C 72 54.236 59.189 -4.953 1
1 816 . 8 1 1 A 72 72 GLU CB C 72 33.622 31.035 2.587 1
1 818 . 8 1 1 A 72 72 GLU N N 72 120.136 125.373 -5.237 1
1 819 . 8 1 1 A 73 73 LYS H H 73 9.155 7.778 1.377 1
1 820 . 8 1 1 A 73 73 LYS HA H 73 4.245 4.125 0.120 1
1 829 . 8 1 1 A 73 73 LYS C C 73 176.680 176.150 0.530 1
1 830 . 8 1 1 A 73 73 LYS CA C 73 57.999 56.405 1.594 1
1 831 . 8 1 1 A 73 73 LYS CB C 73 33.418 32.489 0.929 1
1 835 . 8 1 1 A 73 73 LYS N N 73 121.554 119.917 1.637 1
1 836 . 8 1 1 A 74 74 PHE H H 74 7.171 9.027 -1.856 1
1 837 . 8 1 1 A 74 74 PHE HA H 74 4.600 4.586 0.014 1
1 843 . 8 1 1 A 74 74 PHE CA C 74 55.159 57.302 -2.143 1
1 844 . 8 1 1 A 74 74 PHE CB C 74 40.451 40.353 0.098 1
1 848 . 8 1 1 A 74 74 PHE N N 74 111.944 127.033 -15.089 1
1 849 . 8 1 1 A 75 75 PRO HA H 75 4.640 4.247 0.393 1
1 856 . 8 1 1 A 75 75 PRO C C 75 176.914 174.704 2.210 1
1 857 . 8 1 1 A 75 75 PRO CA C 75 62.713 61.905 0.808 1
1 858 . 8 1 1 A 75 75 PRO CB C 75 30.073 28.714 1.359 1
1 860 . 8 1 1 A 76 76 ALA H H 76 9.039 8.457 0.582 1
1 861 . 8 1 1 A 76 76 ALA HA H 76 4.870 4.894 -0.024 1
1 865 . 8 1 1 A 76 76 ALA C C 76 179.974 177.396 2.578 1
1 866 . 8 1 1 A 76 76 ALA CA C 76 50.923 51.237 -0.314 1
1 867 . 8 1 1 A 76 76 ALA CB C 76 18.130 20.483 -2.353 1
1 868 . 8 1 1 A 76 76 ALA N N 76 128.387 125.081 3.306 1
1 869 . 8 1 1 A 77 77 PHE H H 77 8.117 9.001 -0.884 1
1 870 . 8 1 1 A 77 77 PHE HA H 77 4.915 5.146 -0.231 1
1 875 . 8 1 1 A 77 77 PHE CA C 77 53.371 55.097 -1.726 1
1 876 . 8 1 1 A 77 77 PHE CB C 77 36.523 40.646 -4.123 1
1 878 . 8 1 1 A 77 77 PHE N N 77 125.115 120.063 5.052 1
1 879 . 8 1 1 A 78 78 PRO HA H 78 4.245 4.766 -0.521 1
1 886 . 8 1 1 A 78 78 PRO C C 78 176.487 175.484 1.003 1
1 887 . 8 1 1 A 78 78 PRO CA C 78 62.480 62.141 0.339 1
1 888 . 8 1 1 A 78 78 PRO CB C 78 30.324 29.909 0.415 1
1 13 . 9 1 1 A 2 2 ASN H H 2 9.438 9.055 0.383 1
1 14 . 9 1 1 A 2 2 ASN HA H 2 5.912 4.508 1.404 1
1 19 . 9 1 1 A 2 2 ASN C C 2 175.436 176.240 -0.804 1
1 20 . 9 1 1 A 2 2 ASN CA C 2 54.299 56.398 -2.099 1
1 21 . 9 1 1 A 2 2 ASN CB C 2 38.092 38.235 -0.143 1
1 22 . 9 1 1 A 2 2 ASN N N 2 121.344 121.769 -0.425 1
1 24 . 9 1 1 A 3 3 VAL H H 3 8.328 7.619 0.709 1
1 25 . 9 1 1 A 3 3 VAL HA H 3 4.161 4.450 -0.289 1
1 30 . 9 1 1 A 3 3 VAL C C 3 178.200 175.295 2.905 1
1 31 . 9 1 1 A 3 3 VAL CA C 3 61.577 63.007 -1.430 1
1 32 . 9 1 1 A 3 3 VAL CB C 3 32.162 31.781 0.381 1
1 34 . 9 1 1 A 3 3 VAL N N 3 122.195 119.164 3.031 1
1 35 . 9 1 1 A 4 4 LYS H H 4 8.474 8.490 -0.016 1
1 36 . 9 1 1 A 4 4 LYS HA H 4 4.283 4.692 -0.409 1
1 44 . 9 1 1 A 4 4 LYS C C 4 177.509 175.239 2.270 1
1 45 . 9 1 1 A 4 4 LYS CA C 4 55.197 55.335 -0.138 1
1 46 . 9 1 1 A 4 4 LYS CB C 4 30.194 35.487 -5.293 1
1 47 . 9 1 1 A 4 4 LYS N N 4 122.239 129.336 -7.097 1
1 48 . 9 1 1 A 5 5 GLN H H 5 8.507 8.634 -0.127 1
1 49 . 9 1 1 A 5 5 GLN HA H 5 4.383 4.374 0.009 1
1 56 . 9 1 1 A 5 5 GLN C C 5 177.440 176.308 1.132 1
1 57 . 9 1 1 A 5 5 GLN CA C 5 55.081 56.479 -1.398 1
1 58 . 9 1 1 A 5 5 GLN CB C 5 29.505 29.500 0.005 1
1 60 . 9 1 1 A 5 5 GLN N N 5 123.847 126.109 -2.262 1
1 62 . 9 1 1 A 6 6 LYS H H 6 8.407 8.767 -0.360 1
1 63 . 9 1 1 A 6 6 LYS HA H 6 4.392 4.514 -0.122 1
1 72 . 9 1 1 A 6 6 LYS C C 6 178.373 175.809 2.564 1
1 73 . 9 1 1 A 6 6 LYS CA C 6 61.491 56.609 4.882 1
1 74 . 9 1 1 A 6 6 LYS CB C 6 31.993 33.959 -1.966 1
1 78 . 9 1 1 A 6 6 LYS N N 6 123.099 121.947 1.152 1
1 79 . 9 1 1 A 7 7 SER H H 7 8.516 8.651 -0.135 1
1 80 . 9 1 1 A 7 7 SER HA H 7 4.483 5.162 -0.679 1
1 83 . 9 1 1 A 7 7 SER C C 7 175.401 173.280 2.121 1
1 84 . 9 1 1 A 7 7 SER CA C 7 57.370 57.706 -0.336 1
1 85 . 9 1 1 A 7 7 SER CB C 7 62.979 65.569 -2.590 1
1 86 . 9 1 1 A 7 7 SER N N 7 117.184 116.485 0.699 1
1 87 . 9 1 1 A 8 8 GLU H H 8 8.548 9.226 -0.678 1
1 88 . 9 1 1 A 8 8 GLU HA H 8 4.397 5.131 -0.734 1
1 93 . 9 1 1 A 8 8 GLU C C 8 177.785 175.343 2.442 1
1 94 . 9 1 1 A 8 8 GLU CA C 8 55.856 55.426 0.430 1
1 95 . 9 1 1 A 8 8 GLU CB C 8 29.726 30.299 -0.573 1
1 97 . 9 1 1 A 8 8 GLU N N 8 123.697 125.097 -1.400 1
1 98 . 9 1 1 A 9 9 ILE H H 9 8.279 8.881 -0.602 1
1 99 . 9 1 1 A 9 9 ILE HA H 9 4.276 4.825 -0.549 1
1 109 . 9 1 1 A 9 9 ILE C C 9 177.958 175.736 2.222 1
1 110 . 9 1 1 A 9 9 ILE CA C 9 60.538 59.867 0.671 1
1 111 . 9 1 1 A 9 9 ILE CB C 9 37.725 41.680 -3.955 1
1 115 . 9 1 1 A 9 9 ILE N N 9 122.616 124.960 -2.344 1
1 116 . 9 1 1 A 10 10 THR H H 10 8.255 8.625 -0.370 1
1 117 . 9 1 1 A 10 10 THR HA H 10 4.592 4.413 0.179 1
1 122 . 9 1 1 A 10 10 THR C C 10 174.993 173.947 1.046 1
1 123 . 9 1 1 A 10 10 THR CA C 10 61.010 62.699 -1.689 1
1 124 . 9 1 1 A 10 10 THR CB C 10 68.505 69.550 -1.045 1
1 126 . 9 1 1 A 10 10 THR N N 10 119.401 121.508 -2.107 1
1 127 . 9 1 1 A 11 11 ALA H H 11 8.308 8.267 0.041 1
1 128 . 9 1 1 A 11 11 ALA HA H 11 4.400 4.546 -0.146 1
1 132 . 9 1 1 A 11 11 ALA C C 11 178.822 177.333 1.489 1
1 133 . 9 1 1 A 11 11 ALA CA C 11 51.438 52.519 -1.081 1
1 134 . 9 1 1 A 11 11 ALA CB C 11 18.303 19.016 -0.713 1
1 135 . 9 1 1 A 11 11 ALA N N 11 127.285 127.156 0.129 1
1 136 . 9 1 1 A 12 12 LEU H H 12 8.228 8.623 -0.395 1
1 137 . 9 1 1 A 12 12 LEU HA H 12 4.457 4.598 -0.141 1
1 147 . 9 1 1 A 12 12 LEU C C 12 178.787 176.834 1.953 1
1 148 . 9 1 1 A 12 12 LEU CA C 12 54.261 54.152 0.109 1
1 149 . 9 1 1 A 12 12 LEU CB C 12 41.457 42.926 -1.469 1
1 152 . 9 1 1 A 12 12 LEU N N 12 122.431 124.832 -2.401 1
1 153 . 9 1 1 A 13 13 VAL H H 13 8.171 8.394 -0.223 1
1 154 . 9 1 1 A 13 13 VAL HA H 13 4.164 4.057 0.107 1
1 159 . 9 1 1 A 13 13 VAL C C 13 177.412 175.611 1.801 1
1 160 . 9 1 1 A 13 13 VAL CA C 13 61.489 62.096 -0.607 1
1 161 . 9 1 1 A 13 13 VAL CB C 13 31.791 32.992 -1.201 1
1 163 . 9 1 1 A 13 13 VAL N N 13 122.619 121.845 0.774 1
1 164 . 9 1 1 A 14 14 LYS H H 14 8.459 7.994 0.465 1
1 165 . 9 1 1 A 14 14 LYS HA H 14 4.375 4.409 -0.034 1
1 174 . 9 1 1 A 14 14 LYS C C 14 177.509 176.396 1.113 1
1 175 . 9 1 1 A 14 14 LYS CA C 14 55.532 56.198 -0.666 1
1 176 . 9 1 1 A 14 14 LYS CB C 14 32.114 33.057 -0.943 1
1 180 . 9 1 1 A 14 14 LYS N N 14 125.566 123.811 1.755 1
1 181 . 9 1 1 A 15 15 GLU H H 15 8.434 8.684 -0.250 1
1 182 . 9 1 1 A 15 15 GLU HA H 15 4.380 4.592 -0.212 1
1 187 . 9 1 1 A 15 15 GLU C C 15 177.440 175.465 1.975 1
1 188 . 9 1 1 A 15 15 GLU CA C 15 55.302 56.384 -1.082 1
1 189 . 9 1 1 A 15 15 GLU CB C 15 29.616 30.115 -0.499 1
1 190 . 9 1 1 A 15 15 GLU N N 15 123.950 125.992 -2.042 1
1 191 . 9 1 1 A 16 16 VAL H H 16 8.326 8.149 0.177 1
1 192 . 9 1 1 A 16 16 VAL HA H 16 4.205 4.615 -0.410 1
1 197 . 9 1 1 A 16 16 VAL CA C 16 61.613 60.539 1.074 1
1 198 . 9 1 1 A 16 16 VAL CB C 16 32.231 34.759 -2.528 1
1 199 . 9 1 1 A 16 16 VAL N N 16 123.175 124.620 -1.445 1
1 200 . 9 1 1 A 17 17 THR H H 17 8.171 8.725 -0.554 1
1 201 . 9 1 1 A 17 17 THR HA H 17 4.470 4.128 0.342 1
1 206 . 9 1 1 A 17 17 THR CA C 17 57.893 67.423 -9.530 1
1 207 . 9 1 1 A 17 17 THR CB C 17 70.047 67.458 2.589 1
1 208 . 9 1 1 A 17 17 THR N N 17 119.533 121.263 -1.730 1
1 209 . 9 1 1 A 19 19 PRO HA H 19 4.355 4.775 -0.420 1
1 212 . 9 1 1 A 19 19 PRO C C 19 177.057 175.425 1.632 1
1 213 . 9 1 1 A 19 19 PRO CA C 19 61.531 62.462 -0.931 1
1 214 . 9 1 1 A 19 19 PRO CB C 19 31.869 29.381 2.488 1
1 215 . 9 1 1 A 20 20 ARG H H 20 8.435 8.744 -0.309 1
1 216 . 9 1 1 A 20 20 ARG HA H 20 4.391 4.733 -0.342 1
1 223 . 9 1 1 A 20 20 ARG C C 20 177.509 173.768 3.741 1
1 224 . 9 1 1 A 20 20 ARG CA C 20 55.300 55.216 0.084 1
1 225 . 9 1 1 A 20 20 ARG CB C 20 32.492 33.154 -0.662 1
1 228 . 9 1 1 A 20 20 ARG N N 20 126.489 123.070 3.419 1
1 229 . 9 1 1 A 21 21 LYS H H 21 8.426 8.886 -0.460 1
1 230 . 9 1 1 A 21 21 LYS HA H 21 4.397 4.966 -0.569 1
1 239 . 9 1 1 A 21 21 LYS C C 21 177.412 175.389 2.023 1
1 240 . 9 1 1 A 21 21 LYS CA C 21 55.296 54.610 0.686 1
1 241 . 9 1 1 A 21 21 LYS CB C 21 29.837 34.565 -4.728 1
1 244 . 9 1 1 A 21 21 LYS N N 21 123.626 125.831 -2.205 1
1 245 . 9 1 1 A 22 22 ALA H H 22 8.378 8.786 -0.408 1
1 246 . 9 1 1 A 22 22 ALA HA H 22 4.628 4.901 -0.273 1
1 250 . 9 1 1 A 22 22 ALA CA C 22 49.376 50.185 -0.809 1
1 251 . 9 1 1 A 22 22 ALA CB C 22 17.501 19.513 -2.012 1
1 252 . 9 1 1 A 22 22 ALA N N 22 127.197 128.152 -0.955 1
1 253 . 9 1 1 A 23 23 PRO HA H 23 4.219 4.738 -0.519 1
1 257 . 9 1 1 A 23 23 PRO C C 23 177.440 175.011 2.429 1
1 258 . 9 1 1 A 23 23 PRO CA C 23 61.724 62.279 -0.555 1
1 259 . 9 1 1 A 23 23 PRO CB C 23 32.162 29.042 3.120 1
1 260 . 9 1 1 A 24 24 SER H H 24 8.425 8.608 -0.183 1
1 261 . 9 1 1 A 24 24 SER HA H 24 4.344 4.699 -0.355 1
1 264 . 9 1 1 A 24 24 SER C C 24 175.610 173.918 1.692 1
1 265 . 9 1 1 A 24 24 SER CA C 24 58.845 57.663 1.182 1
1 266 . 9 1 1 A 24 24 SER CB C 24 68.920 64.016 4.904 1
1 267 . 9 1 1 A 24 24 SER N N 24 122.433 118.771 3.662 1
1 268 . 9 1 1 A 25 25 LYS H H 25 8.323 8.471 -0.148 1
1 269 . 9 1 1 A 25 25 LYS HA H 25 4.137 4.558 -0.421 1
1 276 . 9 1 1 A 25 25 LYS C C 25 177.462 175.248 2.214 1
1 277 . 9 1 1 A 25 25 LYS CA C 25 55.504 55.781 -0.277 1
1 278 . 9 1 1 A 25 25 LYS CB C 25 32.155 32.185 -0.030 1
1 281 . 9 1 1 A 25 25 LYS N N 25 121.718 126.142 -4.424 1
1 282 . 9 1 1 A 26 26 ALA H H 26 8.333 8.805 -0.472 1
1 283 . 9 1 1 A 26 26 ALA HA H 26 4.334 5.568 -1.234 1
1 287 . 9 1 1 A 26 26 ALA CA C 26 51.512 50.650 0.862 1
1 288 . 9 1 1 A 26 26 ALA CB C 26 18.486 20.726 -2.240 1
1 289 . 9 1 1 A 26 26 ALA N N 26 125.817 128.260 -2.443 1
1 290 . 9 1 1 A 27 27 LYS H H 27 8.347 8.601 -0.254 1
1 291 . 9 1 1 A 27 27 LYS HA H 27 4.354 4.963 -0.609 1
1 300 . 9 1 1 A 27 27 LYS C C 27 177.923 175.350 2.573 1
1 301 . 9 1 1 A 27 27 LYS CA C 27 55.413 54.378 1.035 1
1 302 . 9 1 1 A 27 27 LYS CB C 27 32.162 34.854 -2.692 1
1 306 . 9 1 1 A 27 27 LYS N N 27 121.810 122.669 -0.859 1
1 307 . 9 1 1 A 28 28 ARG H H 28 8.440 8.563 -0.123 1
1 308 . 9 1 1 A 28 28 ARG HA H 28 4.672 4.940 -0.268 1
1 315 . 9 1 1 A 28 28 ARG C C 28 177.474 175.577 1.897 1
1 316 . 9 1 1 A 28 28 ARG CA C 28 55.140 55.241 -0.101 1
1 317 . 9 1 1 A 28 28 ARG CB C 28 28.508 30.789 -2.281 1
1 318 . 9 1 1 A 28 28 ARG N N 28 122.679 124.344 -1.665 1
1 319 . 9 1 1 A 29 29 GLU H H 29 8.470 8.708 -0.238 1
1 320 . 9 1 1 A 29 29 GLU HA H 29 4.391 5.084 -0.693 1
1 325 . 9 1 1 A 29 29 GLU C C 29 177.057 175.531 1.526 1
1 326 . 9 1 1 A 29 29 GLU CA C 29 55.634 55.053 0.581 1
1 327 . 9 1 1 A 29 29 GLU CB C 29 32.461 32.881 -0.420 1
1 329 . 9 1 1 A 29 29 GLU N N 29 124.395 123.436 0.959 1
1 330 . 9 1 1 A 30 30 ALA H H 30 8.485 8.877 -0.392 1
1 331 . 9 1 1 A 30 30 ALA HA H 30 4.652 4.610 0.042 1
1 335 . 9 1 1 A 30 30 ALA CA C 30 49.523 50.428 -0.905 1
1 336 . 9 1 1 A 30 30 ALA CB C 30 17.328 19.495 -2.167 1
1 337 . 9 1 1 A 30 30 ALA N N 30 128.118 128.672 -0.554 1
1 338 . 9 1 1 A 31 31 PRO HA H 31 4.440 4.766 -0.326 1
1 345 . 9 1 1 A 31 31 PRO C C 31 177.612 176.274 1.338 1
1 346 . 9 1 1 A 31 31 PRO CA C 31 61.605 62.925 -1.320 1
1 347 . 9 1 1 A 31 31 PRO CB C 31 31.616 32.728 -1.112 1
1 348 . 9 1 1 A 32 32 ILE H H 32 8.202 8.137 0.065 1
1 349 . 9 1 1 A 32 32 ILE HA H 32 3.503 4.907 -1.404 1
1 359 . 9 1 1 A 32 32 ILE C C 32 176.061 176.779 -0.718 1
1 360 . 9 1 1 A 32 32 ILE CA C 32 60.929 58.749 2.180 1
1 361 . 9 1 1 A 32 32 ILE CB C 32 37.219 41.081 -3.862 1
1 365 . 9 1 1 A 32 32 ILE N N 32 121.270 115.927 5.343 1
1 366 . 9 1 1 A 33 33 LYS H H 33 7.434 9.365 -1.931 1
1 367 . 9 1 1 A 33 33 LYS HA H 33 4.370 4.425 -0.055 1
1 376 . 9 1 1 A 33 33 LYS C C 33 176.960 178.731 -1.771 1
1 377 . 9 1 1 A 33 33 LYS CA C 33 56.553 59.682 -3.129 1
1 378 . 9 1 1 A 33 33 LYS CB C 33 35.043 31.984 3.059 1
1 382 . 9 1 1 A 33 33 LYS N N 33 126.133 123.873 2.260 1
1 383 . 9 1 1 A 34 34 TYR H H 34 7.974 8.424 -0.450 1
1 384 . 9 1 1 A 34 34 TYR HA H 34 4.551 4.248 0.303 1
1 389 . 9 1 1 A 34 34 TYR CA C 34 57.337 61.547 -4.210 1
1 390 . 9 1 1 A 34 34 TYR CB C 34 38.051 38.697 -0.646 1
1 393 . 9 1 1 A 34 34 TYR N N 34 121.936 121.265 0.671 1
1 394 . 9 1 1 A 35 35 TRP H H 35 7.912 8.099 -0.187 1
1 395 . 9 1 1 A 35 35 TRP HA H 35 4.687 4.657 0.030 1
1 403 . 9 1 1 A 35 35 TRP C C 35 171.862 175.415 -3.553 1
1 404 . 9 1 1 A 35 35 TRP CA C 35 56.720 59.994 -3.274 1
1 405 . 9 1 1 A 35 35 TRP CB C 35 28.638 31.159 -2.521 1
1 410 . 9 1 1 A 35 35 TRP N N 35 122.844 121.484 1.360 1
1 412 . 9 1 1 A 36 36 LEU H H 36 7.598 8.210 -0.612 1
1 413 . 9 1 1 A 36 36 LEU HA H 36 4.028 4.820 -0.792 1
1 423 . 9 1 1 A 36 36 LEU CA C 36 47.586 51.118 -3.532 1
1 424 . 9 1 1 A 36 36 LEU CB C 36 39.448 44.793 -5.345 1
1 428 . 9 1 1 A 36 36 LEU N N 36 117.117 117.959 -0.842 1
1 429 . 9 1 1 A 37 37 PRO HA H 37 4.340 4.497 -0.157 1
1 436 . 9 1 1 A 37 37 PRO C C 37 175.850 176.469 -0.619 1
1 437 . 9 1 1 A 37 37 PRO CA C 37 62.513 64.776 -2.263 1
1 438 . 9 1 1 A 37 37 PRO CB C 37 31.510 32.008 -0.498 1
1 439 . 9 1 1 A 38 38 HIS H H 38 7.704 7.871 -0.167 1
1 440 . 9 1 1 A 38 38 HIS HA H 38 4.366 5.021 -0.655 1
1 445 . 9 1 1 A 38 38 HIS C C 38 176.772 173.493 3.279 1
1 446 . 9 1 1 A 38 38 HIS CA C 38 56.604 54.378 2.226 1
1 447 . 9 1 1 A 38 38 HIS CB C 38 28.736 31.273 -2.537 1
1 450 . 9 1 1 A 38 38 HIS N N 38 111.845 115.844 -3.999 1
1 451 . 9 1 1 A 39 39 SER H H 39 6.451 8.707 -2.256 1
1 452 . 9 1 1 A 39 39 SER HA H 39 4.620 4.828 -0.208 1
1 455 . 9 1 1 A 39 39 SER C C 39 176.576 174.940 1.636 1
1 456 . 9 1 1 A 39 39 SER CA C 39 56.604 59.283 -2.679 1
1 457 . 9 1 1 A 39 39 SER CB C 39 65.579 63.276 2.303 1
1 458 . 9 1 1 A 39 39 SER N N 39 113.386 124.117 -10.731 1
1 459 . 9 1 1 A 40 40 GLY H H 40 8.420 8.686 -0.266 1
1 460 . 9 1 1 A 40 40 GLY HA2 H 40 4.346 4.278 0.068 1
1 461 . 9 1 1 A 40 40 GLY HA3 H 40 3.741 4.294 -0.553 1
1 462 . 9 1 1 A 40 40 GLY C C 40 176.997 173.653 3.344 1
1 463 . 9 1 1 A 40 40 GLY CA C 40 44.153 45.457 -1.304 1
1 464 . 9 1 1 A 40 40 GLY N N 40 113.160 113.073 0.087 1
1 465 . 9 1 1 A 41 41 ALA H H 41 7.187 8.446 -1.259 1
1 466 . 9 1 1 A 41 41 ALA HA H 41 4.397 5.270 -0.873 1
1 470 . 9 1 1 A 41 41 ALA C C 41 177.989 175.268 2.721 1
1 471 . 9 1 1 A 41 41 ALA CA C 41 51.533 50.785 0.748 1
1 472 . 9 1 1 A 41 41 ALA CB C 41 17.990 22.244 -4.254 1
1 473 . 9 1 1 A 41 41 ALA N N 41 123.786 126.252 -2.466 1
1 474 . 9 1 1 A 42 42 THR H H 42 8.358 8.975 -0.617 1
1 475 . 9 1 1 A 42 42 THR HA H 42 5.612 4.842 0.770 1
1 480 . 9 1 1 A 42 42 THR C C 42 175.505 173.168 2.337 1
1 481 . 9 1 1 A 42 42 THR CA C 42 58.816 60.564 -1.748 1
1 482 . 9 1 1 A 42 42 THR CB C 42 71.944 69.479 2.465 1
1 484 . 9 1 1 A 42 42 THR N N 42 108.609 118.450 -9.841 1
1 485 . 9 1 1 A 43 43 TRP H H 43 8.625 8.576 0.049 1
1 486 . 9 1 1 A 43 43 TRP HA H 43 5.338 5.191 0.147 1
1 494 . 9 1 1 A 43 43 TRP C C 43 177.892 174.799 3.093 1
1 495 . 9 1 1 A 43 43 TRP CA C 43 54.345 55.416 -1.071 1
1 496 . 9 1 1 A 43 43 TRP CB C 43 31.571 30.909 0.662 1
1 501 . 9 1 1 A 43 43 TRP N N 43 117.778 132.378 -14.600 1
1 503 . 9 1 1 A 44 44 SER H H 44 8.451 9.121 -0.670 1
1 504 . 9 1 1 A 44 44 SER HA H 44 4.498 4.889 -0.391 1
1 507 . 9 1 1 A 44 44 SER C C 44 175.850 173.869 1.981 1
1 508 . 9 1 1 A 44 44 SER CA C 44 57.363 57.091 0.272 1
1 509 . 9 1 1 A 44 44 SER CB C 44 62.550 64.165 -1.615 1
1 510 . 9 1 1 A 44 44 SER N N 44 117.818 124.049 -6.231 1
1 511 . 9 1 1 A 45 45 GLY H H 45 7.513 8.452 -0.939 1
1 512 . 9 1 1 A 45 45 GLY HA2 H 45 4.344 4.245 0.099 1
1 513 . 9 1 1 A 45 45 GLY HA3 H 45 3.775 4.330 -0.555 1
1 514 . 9 1 1 A 45 45 GLY C C 45 172.858 173.537 -0.679 1
1 515 . 9 1 1 A 45 45 GLY CA C 45 44.312 46.078 -1.766 1
1 516 . 9 1 1 A 45 45 GLY N N 45 111.146 113.870 -2.724 1
1 517 . 9 1 1 A 46 46 ARG H H 46 8.534 8.071 0.463 1
1 518 . 9 1 1 A 46 46 ARG HA H 46 4.632 4.230 0.402 1
1 525 . 9 1 1 A 46 46 ARG C C 46 177.983 175.961 2.022 1
1 526 . 9 1 1 A 46 46 ARG CA C 46 53.530 55.505 -1.975 1
1 527 . 9 1 1 A 46 46 ARG CB C 46 31.064 30.666 0.398 1
1 530 . 9 1 1 A 46 46 ARG N N 46 120.921 124.216 -3.295 1
1 531 . 9 1 1 A 47 47 GLY H H 47 8.864 8.681 0.183 1
1 532 . 9 1 1 A 47 47 GLY HA2 H 47 3.919 3.799 0.120 1
1 533 . 9 1 1 A 47 47 GLY HA3 H 47 4.336 3.829 0.507 1
1 534 . 9 1 1 A 47 47 GLY C C 47 177.440 173.424 4.016 1
1 535 . 9 1 1 A 47 47 GLY CA C 47 44.060 46.130 -2.070 1
1 536 . 9 1 1 A 47 47 GLY N N 47 111.872 113.062 -1.190 1
1 537 . 9 1 1 A 48 48 LYS H H 48 7.752 7.545 0.207 1
1 538 . 9 1 1 A 48 48 LYS HA H 48 4.274 4.419 -0.145 1
1 547 . 9 1 1 A 48 48 LYS C C 48 178.053 175.072 2.981 1
1 548 . 9 1 1 A 48 48 LYS CA C 48 55.302 55.333 -0.031 1
1 549 . 9 1 1 A 48 48 LYS CB C 48 32.162 32.297 -0.135 1
1 550 . 9 1 1 A 48 48 LYS N N 48 125.971 122.444 3.527 1
1 551 . 9 1 1 A 49 49 ILE H H 49 8.236 8.778 -0.542 1
1 552 . 9 1 1 A 49 49 ILE HA H 49 2.797 4.654 -1.857 1
1 562 . 9 1 1 A 49 49 ILE CA C 49 58.222 57.994 0.228 1
1 563 . 9 1 1 A 49 49 ILE CB C 49 37.578 38.364 -0.786 1
1 567 . 9 1 1 A 49 49 ILE N N 49 126.182 126.841 -0.659 1
1 568 . 9 1 1 A 50 50 PRO HA H 50 4.344 4.611 -0.267 1
1 571 . 9 1 1 A 50 50 PRO C C 50 178.547 176.476 2.071 1
1 572 . 9 1 1 A 50 50 PRO CA C 50 60.998 62.942 -1.944 1
1 573 . 9 1 1 A 50 50 PRO CB C 50 32.796 30.120 2.676 1
1 575 . 9 1 1 A 51 51 LYS H H 51 9.065 8.174 0.891 1
1 576 . 9 1 1 A 51 51 LYS HA H 51 4.870 4.085 0.785 1
1 581 . 9 1 1 A 51 51 LYS CA C 51 59.788 60.842 -1.054 1
1 582 . 9 1 1 A 51 51 LYS CB C 51 28.838 30.269 -1.431 1
1 583 . 9 1 1 A 51 51 LYS N N 51 125.299 122.187 3.112 1
1 584 . 9 1 1 A 52 52 PRO HA H 52 4.391 4.343 0.048 1
1 591 . 9 1 1 A 52 52 PRO C C 52 181.184 179.035 2.149 1
1 592 . 9 1 1 A 52 52 PRO CA C 52 64.975 65.594 -0.619 1
1 593 . 9 1 1 A 52 52 PRO CB C 52 30.072 31.126 -1.054 1
1 595 . 9 1 1 A 53 53 PHE H H 53 7.144 7.593 -0.449 1
1 596 . 9 1 1 A 53 53 PHE HA H 53 3.875 4.018 -0.143 1
1 601 . 9 1 1 A 53 53 PHE C C 53 177.838 177.704 0.134 1
1 602 . 9 1 1 A 53 53 PHE CA C 53 60.265 61.571 -1.306 1
1 603 . 9 1 1 A 53 53 PHE CB C 53 37.091 39.416 -2.325 1
1 606 . 9 1 1 A 53 53 PHE N N 53 116.868 118.497 -1.629 1
1 607 . 9 1 1 A 54 54 GLU H H 54 7.788 8.432 -0.644 1
1 608 . 9 1 1 A 54 54 GLU HA H 54 3.997 3.825 0.172 1
1 613 . 9 1 1 A 54 54 GLU C C 54 180.998 178.534 2.464 1
1 614 . 9 1 1 A 54 54 GLU CA C 54 58.691 59.368 -0.677 1
1 615 . 9 1 1 A 54 54 GLU CB C 54 29.328 29.568 -0.240 1
1 617 . 9 1 1 A 54 54 GLU N N 54 120.523 119.191 1.332 1
1 618 . 9 1 1 A 55 55 ALA H H 55 8.379 7.848 0.531 1
1 619 . 9 1 1 A 55 55 ALA HA H 55 4.086 4.035 0.051 1
1 623 . 9 1 1 A 55 55 ALA C C 55 180.899 179.039 1.860 1
1 624 . 9 1 1 A 55 55 ALA CA C 55 53.119 55.076 -1.957 1
1 625 . 9 1 1 A 55 55 ALA CB C 55 17.854 18.269 -0.415 1
1 626 . 9 1 1 A 55 55 ALA N N 55 119.006 121.240 -2.234 1
1 627 . 9 1 1 A 56 56 TRP H H 56 7.575 7.788 -0.213 1
1 628 . 9 1 1 A 56 56 TRP HA H 56 4.616 4.273 0.343 1
1 634 . 9 1 1 A 56 56 TRP C C 56 179.334 177.922 1.412 1
1 635 . 9 1 1 A 56 56 TRP CA C 56 59.039 61.172 -2.133 1
1 636 . 9 1 1 A 56 56 TRP CB C 56 27.791 29.548 -1.757 1
1 639 . 9 1 1 A 56 56 TRP N N 56 119.770 119.947 -0.177 1
1 641 . 9 1 1 A 57 57 ILE H H 57 7.291 8.030 -0.739 1
1 642 . 9 1 1 A 57 57 ILE HA H 57 2.517 3.783 -1.266 1
1 651 . 9 1 1 A 57 57 ILE C C 57 177.768 177.087 0.681 1
1 652 . 9 1 1 A 57 57 ILE CA C 57 62.722 63.641 -0.919 1
1 653 . 9 1 1 A 57 57 ILE CB C 57 36.507 36.932 -0.425 1
1 657 . 9 1 1 A 57 57 ILE N N 57 117.374 118.092 -0.718 1
1 658 . 9 1 1 A 58 58 GLY H H 58 6.565 7.625 -1.060 1
1 659 . 9 1 1 A 58 58 GLY HA2 H 58 3.985 4.016 -0.031 1
1 660 . 9 1 1 A 58 58 GLY HA3 H 58 4.069 4.089 -0.020 1
1 661 . 9 1 1 A 58 58 GLY C C 58 178.787 175.262 3.525 1
1 662 . 9 1 1 A 58 58 GLY CA C 58 43.958 45.332 -1.374 1
1 663 . 9 1 1 A 58 58 GLY N N 58 110.422 108.734 1.688 1
1 664 . 9 1 1 A 59 59 THR H H 59 7.629 7.100 0.529 1
1 665 . 9 1 1 A 59 59 THR HA H 59 4.554 4.056 0.498 1
1 670 . 9 1 1 A 59 59 THR CA C 59 60.466 65.106 -4.640 1
1 671 . 9 1 1 A 59 59 THR CB C 59 71.728 68.935 2.793 1
1 672 . 9 1 1 A 59 59 THR N N 59 111.600 114.264 -2.664 1
1 673 . 9 1 1 A 60 60 ALA H H 60 9.010 7.598 1.412 1
1 674 . 9 1 1 A 60 60 ALA HA H 60 4.917 4.401 0.516 1
1 678 . 9 1 1 A 60 60 ALA C C 60 182.933 178.325 4.608 1
1 679 . 9 1 1 A 60 60 ALA CA C 60 54.222 53.082 1.140 1
1 680 . 9 1 1 A 60 60 ALA CB C 60 18.122 20.082 -1.960 1
1 681 . 9 1 1 A 60 60 ALA N N 60 125.890 121.875 4.015 1
1 682 . 9 1 1 A 61 61 ALA H H 61 8.368 7.942 0.426 1
1 683 . 9 1 1 A 61 61 ALA HA H 61 4.256 4.053 0.203 1
1 687 . 9 1 1 A 61 61 ALA C C 61 182.536 179.186 3.350 1
1 688 . 9 1 1 A 61 61 ALA CA C 61 54.071 54.931 -0.860 1
1 689 . 9 1 1 A 61 61 ALA CB C 61 18.122 18.049 0.073 1
1 690 . 9 1 1 A 61 61 ALA N N 61 121.272 120.590 0.682 1
1 691 . 9 1 1 A 62 62 TYR H H 62 7.310 8.346 -1.036 1
1 692 . 9 1 1 A 62 62 TYR HA H 62 3.381 4.046 -0.665 1
1 697 . 9 1 1 A 62 62 TYR C C 62 177.889 177.338 0.551 1
1 698 . 9 1 1 A 62 62 TYR CA C 62 60.203 61.727 -1.524 1
1 699 . 9 1 1 A 62 62 TYR CB C 62 36.771 38.596 -1.825 1
1 702 . 9 1 1 A 62 62 TYR N N 62 122.066 120.625 1.441 1
1 703 . 9 1 1 A 63 63 THR H H 63 8.303 8.343 -0.040 1
1 704 . 9 1 1 A 63 63 THR HA H 63 4.405 3.775 0.630 1
1 709 . 9 1 1 A 63 63 THR C C 63 178.200 177.173 1.027 1
1 710 . 9 1 1 A 63 63 THR CA C 63 65.547 65.465 0.082 1
1 711 . 9 1 1 A 63 63 THR CB C 63 67.470 68.688 -1.218 1
1 712 . 9 1 1 A 63 63 THR N N 63 117.473 114.036 3.437 1
1 713 . 9 1 1 A 64 64 ALA H H 64 7.931 7.615 0.316 1
1 714 . 9 1 1 A 64 64 ALA HA H 64 4.220 4.023 0.197 1
1 718 . 9 1 1 A 64 64 ALA C C 64 181.966 179.330 2.636 1
1 719 . 9 1 1 A 64 64 ALA CA C 64 53.966 54.878 -0.912 1
1 720 . 9 1 1 A 64 64 ALA CB C 64 17.432 18.312 -0.880 1
1 721 . 9 1 1 A 64 64 ALA N N 64 123.649 122.803 0.846 1
1 722 . 9 1 1 A 65 65 TRP H H 65 8.049 8.300 -0.251 1
1 723 . 9 1 1 A 65 65 TRP HA H 65 4.294 4.059 0.235 1
1 729 . 9 1 1 A 65 65 TRP C C 65 181.255 178.473 2.782 1
1 730 . 9 1 1 A 65 65 TRP CA C 65 61.458 61.508 -0.050 1
1 731 . 9 1 1 A 65 65 TRP CB C 65 27.748 29.603 -1.855 1
1 734 . 9 1 1 A 65 65 TRP N N 65 121.372 120.221 1.151 1
1 736 . 9 1 1 A 66 66 LYS H H 66 9.624 8.503 1.121 1
1 737 . 9 1 1 A 66 66 LYS HA H 66 4.352 4.186 0.166 1
1 745 . 9 1 1 A 66 66 LYS C C 66 180.615 179.118 1.497 1
1 746 . 9 1 1 A 66 66 LYS CA C 66 56.030 59.630 -3.600 1
1 747 . 9 1 1 A 66 66 LYS CB C 66 30.842 31.869 -1.027 1
1 751 . 9 1 1 A 66 66 LYS N N 66 123.631 118.002 5.629 1
1 752 . 9 1 1 A 67 67 ALA H H 67 8.822 8.007 0.815 1
1 753 . 9 1 1 A 67 67 ALA HA H 67 4.027 4.002 0.025 1
1 757 . 9 1 1 A 67 67 ALA C C 67 180.899 179.625 1.274 1
1 758 . 9 1 1 A 67 67 ALA CA C 67 53.759 54.959 -1.200 1
1 759 . 9 1 1 A 67 67 ALA CB C 67 17.534 18.011 -0.477 1
1 760 . 9 1 1 A 67 67 ALA N N 67 120.803 122.118 -1.315 1
1 761 . 9 1 1 A 68 68 LYS H H 68 6.888 7.614 -0.726 1
1 762 . 9 1 1 A 68 68 LYS HA H 68 4.233 4.252 -0.019 1
1 771 . 9 1 1 A 68 68 LYS C C 68 175.989 176.596 -0.607 1
1 772 . 9 1 1 A 68 68 LYS CA C 68 54.355 57.438 -3.083 1
1 773 . 9 1 1 A 68 68 LYS CB C 68 33.056 33.112 -0.056 1
1 777 . 9 1 1 A 68 68 LYS N N 68 113.741 115.055 -1.314 1
1 778 . 9 1 1 A 69 69 HIS H H 69 7.111 7.804 -0.693 1
1 779 . 9 1 1 A 69 69 HIS HA H 69 4.768 4.924 -0.156 1
1 784 . 9 1 1 A 69 69 HIS CA C 69 52.654 53.754 -1.100 1
1 785 . 9 1 1 A 69 69 HIS CB C 69 27.381 32.515 -5.134 1
1 788 . 9 1 1 A 69 69 HIS N N 69 120.596 115.069 5.527 1
1 789 . 9 1 1 A 70 70 PRO HA H 70 4.230 4.335 -0.105 1
1 796 . 9 1 1 A 70 70 PRO C C 70 179.651 177.271 2.380 1
1 797 . 9 1 1 A 70 70 PRO CA C 70 64.184 65.295 -1.111 1
1 798 . 9 1 1 A 70 70 PRO CB C 70 30.854 31.666 -0.812 1
1 800 . 9 1 1 A 71 71 ASP H H 71 8.619 8.107 0.512 1
1 801 . 9 1 1 A 71 71 ASP HA H 71 4.917 4.728 0.189 1
1 804 . 9 1 1 A 71 71 ASP C C 71 177.057 177.213 -0.156 1
1 805 . 9 1 1 A 71 71 ASP CA C 71 52.975 54.431 -1.456 1
1 806 . 9 1 1 A 71 71 ASP CB C 71 40.475 40.765 -0.290 1
1 807 . 9 1 1 A 71 71 ASP N N 71 116.294 119.061 -2.767 1
1 808 . 9 1 1 A 72 72 GLU H H 72 7.389 8.212 -0.823 1
1 809 . 9 1 1 A 72 72 GLU HA H 72 4.920 4.126 0.794 1
1 814 . 9 1 1 A 72 72 GLU C C 72 176.986 177.632 -0.646 1
1 815 . 9 1 1 A 72 72 GLU CA C 72 54.236 60.001 -5.765 1
1 816 . 9 1 1 A 72 72 GLU CB C 72 33.622 29.645 3.977 1
1 818 . 9 1 1 A 72 72 GLU N N 72 120.136 119.972 0.164 1
1 819 . 9 1 1 A 73 73 LYS H H 73 9.155 7.660 1.495 1
1 820 . 9 1 1 A 73 73 LYS HA H 73 4.245 4.270 -0.025 1
1 829 . 9 1 1 A 73 73 LYS C C 73 176.680 176.436 0.244 1
1 830 . 9 1 1 A 73 73 LYS CA C 73 57.999 55.760 2.239 1
1 831 . 9 1 1 A 73 73 LYS CB C 73 33.418 32.451 0.967 1
1 835 . 9 1 1 A 73 73 LYS N N 73 121.554 119.933 1.621 1
1 836 . 9 1 1 A 74 74 PHE H H 74 7.171 8.707 -1.536 1
1 837 . 9 1 1 A 74 74 PHE HA H 74 4.600 4.578 0.022 1
1 843 . 9 1 1 A 74 74 PHE CA C 74 55.159 57.274 -2.115 1
1 844 . 9 1 1 A 74 74 PHE CB C 74 40.451 40.370 0.081 1
1 848 . 9 1 1 A 74 74 PHE N N 74 111.944 127.434 -15.490 1
1 849 . 9 1 1 A 75 75 PRO HA H 75 4.640 4.475 0.165 1
1 856 . 9 1 1 A 75 75 PRO C C 75 176.914 174.887 2.027 1
1 857 . 9 1 1 A 75 75 PRO CA C 75 62.713 62.089 0.624 1
1 858 . 9 1 1 A 75 75 PRO CB C 75 30.073 29.048 1.025 1
1 860 . 9 1 1 A 76 76 ALA H H 76 9.039 8.563 0.476 1
1 861 . 9 1 1 A 76 76 ALA HA H 76 4.870 5.197 -0.327 1
1 865 . 9 1 1 A 76 76 ALA C C 76 179.974 176.919 3.055 1
1 866 . 9 1 1 A 76 76 ALA CA C 76 50.923 50.588 0.335 1
1 867 . 9 1 1 A 76 76 ALA CB C 76 18.130 21.068 -2.938 1
1 868 . 9 1 1 A 76 76 ALA N N 76 128.387 125.378 3.009 1
1 869 . 9 1 1 A 77 77 PHE H H 77 8.117 8.992 -0.875 1
1 870 . 9 1 1 A 77 77 PHE HA H 77 4.915 5.165 -0.250 1
1 875 . 9 1 1 A 77 77 PHE CA C 77 53.371 54.789 -1.418 1
1 876 . 9 1 1 A 77 77 PHE CB C 77 36.523 40.812 -4.289 1
1 878 . 9 1 1 A 77 77 PHE N N 77 125.115 118.938 6.177 1
1 879 . 9 1 1 A 78 78 PRO HA H 78 4.245 4.819 -0.574 1
1 886 . 9 1 1 A 78 78 PRO C C 78 176.487 175.658 0.829 1
1 887 . 9 1 1 A 78 78 PRO CA C 78 62.480 62.157 0.323 1
1 888 . 9 1 1 A 78 78 PRO CB C 78 30.324 30.371 -0.047 1
1 13 . 10 1 1 A 2 2 ASN H H 2 9.438 9.233 0.205 1
1 14 . 10 1 1 A 2 2 ASN HA H 2 5.912 4.574 1.338 1
1 19 . 10 1 1 A 2 2 ASN C C 2 175.436 176.116 -0.680 1
1 20 . 10 1 1 A 2 2 ASN CA C 2 54.299 56.629 -2.330 1
1 21 . 10 1 1 A 2 2 ASN CB C 2 38.092 38.450 -0.358 1
1 22 . 10 1 1 A 2 2 ASN N N 2 121.344 121.331 0.013 1
1 24 . 10 1 1 A 3 3 VAL H H 3 8.328 7.620 0.708 1
1 25 . 10 1 1 A 3 3 VAL HA H 3 4.161 3.951 0.210 1
1 30 . 10 1 1 A 3 3 VAL C C 3 178.200 175.110 3.090 1
1 31 . 10 1 1 A 3 3 VAL CA C 3 61.577 62.831 -1.254 1
1 32 . 10 1 1 A 3 3 VAL CB C 3 32.162 32.122 0.040 1
1 34 . 10 1 1 A 3 3 VAL N N 3 122.195 119.013 3.182 1
1 35 . 10 1 1 A 4 4 LYS H H 4 8.474 8.863 -0.389 1
1 36 . 10 1 1 A 4 4 LYS HA H 4 4.283 4.859 -0.576 1
1 44 . 10 1 1 A 4 4 LYS C C 4 177.509 175.725 1.784 1
1 45 . 10 1 1 A 4 4 LYS CA C 4 55.197 54.291 0.906 1
1 46 . 10 1 1 A 4 4 LYS CB C 4 30.194 36.366 -6.172 1
1 47 . 10 1 1 A 4 4 LYS N N 4 122.239 127.692 -5.453 1
1 48 . 10 1 1 A 5 5 GLN H H 5 8.507 8.004 0.503 1
1 49 . 10 1 1 A 5 5 GLN HA H 5 4.383 4.361 0.022 1
1 56 . 10 1 1 A 5 5 GLN C C 5 177.440 176.200 1.240 1
1 57 . 10 1 1 A 5 5 GLN CA C 5 55.081 55.669 -0.588 1
1 58 . 10 1 1 A 5 5 GLN CB C 5 29.505 29.874 -0.369 1
1 60 . 10 1 1 A 5 5 GLN N N 5 123.847 121.889 1.958 1
1 62 . 10 1 1 A 6 6 LYS H H 6 8.407 8.576 -0.169 1
1 63 . 10 1 1 A 6 6 LYS HA H 6 4.392 4.557 -0.165 1
1 72 . 10 1 1 A 6 6 LYS C C 6 178.373 175.651 2.722 1
1 73 . 10 1 1 A 6 6 LYS CA C 6 61.491 56.569 4.922 1
1 74 . 10 1 1 A 6 6 LYS CB C 6 31.993 33.217 -1.224 1
1 78 . 10 1 1 A 6 6 LYS N N 6 123.099 121.469 1.630 1
1 79 . 10 1 1 A 7 7 SER H H 7 8.516 9.018 -0.502 1
1 80 . 10 1 1 A 7 7 SER HA H 7 4.483 5.059 -0.576 1
1 83 . 10 1 1 A 7 7 SER C C 7 175.401 173.569 1.832 1
1 84 . 10 1 1 A 7 7 SER CA C 7 57.370 57.869 -0.499 1
1 85 . 10 1 1 A 7 7 SER CB C 7 62.979 64.651 -1.672 1
1 86 . 10 1 1 A 7 7 SER N N 7 117.184 121.279 -4.095 1
1 87 . 10 1 1 A 8 8 GLU H H 8 8.548 9.126 -0.578 1
1 88 . 10 1 1 A 8 8 GLU HA H 8 4.397 5.072 -0.675 1
1 93 . 10 1 1 A 8 8 GLU C C 8 177.785 175.196 2.589 1
1 94 . 10 1 1 A 8 8 GLU CA C 8 55.856 55.391 0.465 1
1 95 . 10 1 1 A 8 8 GLU CB C 8 29.726 29.915 -0.189 1
1 97 . 10 1 1 A 8 8 GLU N N 8 123.697 125.144 -1.447 1
1 98 . 10 1 1 A 9 9 ILE H H 9 8.279 8.823 -0.544 1
1 99 . 10 1 1 A 9 9 ILE HA H 9 4.276 4.700 -0.424 1
1 109 . 10 1 1 A 9 9 ILE C C 9 177.958 176.106 1.852 1
1 110 . 10 1 1 A 9 9 ILE CA C 9 60.538 60.199 0.339 1
1 111 . 10 1 1 A 9 9 ILE CB C 9 37.725 40.261 -2.536 1
1 115 . 10 1 1 A 9 9 ILE N N 9 122.616 125.424 -2.808 1
1 116 . 10 1 1 A 10 10 THR H H 10 8.255 8.709 -0.454 1
1 117 . 10 1 1 A 10 10 THR HA H 10 4.592 4.420 0.172 1
1 122 . 10 1 1 A 10 10 THR C C 10 174.993 174.282 0.711 1
1 123 . 10 1 1 A 10 10 THR CA C 10 61.010 62.465 -1.455 1
1 124 . 10 1 1 A 10 10 THR CB C 10 68.505 69.602 -1.097 1
1 126 . 10 1 1 A 10 10 THR N N 10 119.401 121.279 -1.878 1
1 127 . 10 1 1 A 11 11 ALA H H 11 8.308 8.314 -0.006 1
1 128 . 10 1 1 A 11 11 ALA HA H 11 4.400 4.299 0.101 1
1 132 . 10 1 1 A 11 11 ALA C C 11 178.822 177.497 1.325 1
1 133 . 10 1 1 A 11 11 ALA CA C 11 51.438 52.730 -1.292 1
1 134 . 10 1 1 A 11 11 ALA CB C 11 18.303 19.040 -0.737 1
1 135 . 10 1 1 A 11 11 ALA N N 11 127.285 126.861 0.424 1
1 136 . 10 1 1 A 12 12 LEU H H 12 8.228 8.738 -0.510 1
1 137 . 10 1 1 A 12 12 LEU HA H 12 4.457 4.876 -0.419 1
1 147 . 10 1 1 A 12 12 LEU C C 12 178.787 176.418 2.369 1
1 148 . 10 1 1 A 12 12 LEU CA C 12 54.261 53.480 0.781 1
1 149 . 10 1 1 A 12 12 LEU CB C 12 41.457 44.251 -2.794 1
1 152 . 10 1 1 A 12 12 LEU N N 12 122.431 123.253 -0.822 1
1 153 . 10 1 1 A 13 13 VAL H H 13 8.171 8.508 -0.337 1
1 154 . 10 1 1 A 13 13 VAL HA H 13 4.164 4.071 0.093 1
1 159 . 10 1 1 A 13 13 VAL C C 13 177.412 175.505 1.907 1
1 160 . 10 1 1 A 13 13 VAL CA C 13 61.489 62.448 -0.959 1
1 161 . 10 1 1 A 13 13 VAL CB C 13 31.791 32.486 -0.695 1
1 163 . 10 1 1 A 13 13 VAL N N 13 122.619 120.564 2.055 1
1 164 . 10 1 1 A 14 14 LYS H H 14 8.459 8.119 0.340 1
1 165 . 10 1 1 A 14 14 LYS HA H 14 4.375 4.406 -0.031 1
1 174 . 10 1 1 A 14 14 LYS C C 14 177.509 177.023 0.486 1
1 175 . 10 1 1 A 14 14 LYS CA C 14 55.532 56.136 -0.604 1
1 176 . 10 1 1 A 14 14 LYS CB C 14 32.114 33.382 -1.268 1
1 180 . 10 1 1 A 14 14 LYS N N 14 125.566 124.792 0.774 1
1 181 . 10 1 1 A 15 15 GLU H H 15 8.434 8.686 -0.252 1
1 182 . 10 1 1 A 15 15 GLU HA H 15 4.380 4.569 -0.189 1
1 187 . 10 1 1 A 15 15 GLU C C 15 177.440 176.564 0.876 1
1 188 . 10 1 1 A 15 15 GLU CA C 15 55.302 56.272 -0.970 1
1 189 . 10 1 1 A 15 15 GLU CB C 15 29.616 30.042 -0.426 1
1 190 . 10 1 1 A 15 15 GLU N N 15 123.950 124.503 -0.553 1
1 191 . 10 1 1 A 16 16 VAL H H 16 8.326 8.503 -0.177 1
1 192 . 10 1 1 A 16 16 VAL HA H 16 4.205 4.698 -0.493 1
1 197 . 10 1 1 A 16 16 VAL CA C 16 61.613 60.733 0.880 1
1 198 . 10 1 1 A 16 16 VAL CB C 16 32.231 35.531 -3.300 1
1 199 . 10 1 1 A 16 16 VAL N N 16 123.175 123.732 -0.557 1
1 200 . 10 1 1 A 17 17 THR H H 17 8.171 8.873 -0.702 1
1 201 . 10 1 1 A 17 17 THR HA H 17 4.470 4.128 0.342 1
1 206 . 10 1 1 A 17 17 THR CA C 17 57.893 67.411 -9.518 1
1 207 . 10 1 1 A 17 17 THR CB C 17 70.047 67.263 2.784 1
1 208 . 10 1 1 A 17 17 THR N N 17 119.533 120.551 -1.018 1
1 209 . 10 1 1 A 19 19 PRO HA H 19 4.355 4.772 -0.417 1
1 212 . 10 1 1 A 19 19 PRO C C 19 177.057 175.327 1.730 1
1 213 . 10 1 1 A 19 19 PRO CA C 19 61.531 62.358 -0.827 1
1 214 . 10 1 1 A 19 19 PRO CB C 19 31.869 29.272 2.597 1
1 215 . 10 1 1 A 20 20 ARG H H 20 8.435 8.610 -0.175 1
1 216 . 10 1 1 A 20 20 ARG HA H 20 4.391 4.641 -0.250 1
1 223 . 10 1 1 A 20 20 ARG C C 20 177.509 173.923 3.586 1
1 224 . 10 1 1 A 20 20 ARG CA C 20 55.300 55.379 -0.079 1
1 225 . 10 1 1 A 20 20 ARG CB C 20 32.492 33.211 -0.719 1
1 228 . 10 1 1 A 20 20 ARG N N 20 126.489 123.249 3.240 1
1 229 . 10 1 1 A 21 21 LYS H H 21 8.426 8.998 -0.572 1
1 230 . 10 1 1 A 21 21 LYS HA H 21 4.397 4.908 -0.511 1
1 239 . 10 1 1 A 21 21 LYS C C 21 177.412 175.911 1.501 1
1 240 . 10 1 1 A 21 21 LYS CA C 21 55.296 55.082 0.214 1
1 241 . 10 1 1 A 21 21 LYS CB C 21 29.837 33.971 -4.134 1
1 244 . 10 1 1 A 21 21 LYS N N 21 123.626 127.316 -3.690 1
1 245 . 10 1 1 A 22 22 ALA H H 22 8.378 8.837 -0.459 1
1 246 . 10 1 1 A 22 22 ALA HA H 22 4.628 4.569 0.059 1
1 250 . 10 1 1 A 22 22 ALA CA C 22 49.376 50.622 -1.246 1
1 251 . 10 1 1 A 22 22 ALA CB C 22 17.501 18.657 -1.156 1
1 252 . 10 1 1 A 22 22 ALA N N 22 127.197 128.915 -1.718 1
1 253 . 10 1 1 A 23 23 PRO HA H 23 4.219 4.801 -0.582 1
1 257 . 10 1 1 A 23 23 PRO C C 23 177.440 175.901 1.539 1
1 258 . 10 1 1 A 23 23 PRO CA C 23 61.724 62.216 -0.492 1
1 259 . 10 1 1 A 23 23 PRO CB C 23 32.162 29.129 3.033 1
1 260 . 10 1 1 A 24 24 SER H H 24 8.425 8.383 0.042 1
1 261 . 10 1 1 A 24 24 SER HA H 24 4.344 4.577 -0.233 1
1 264 . 10 1 1 A 24 24 SER C C 24 175.610 174.371 1.239 1
1 265 . 10 1 1 A 24 24 SER CA C 24 58.845 57.245 1.600 1
1 266 . 10 1 1 A 24 24 SER CB C 24 68.920 64.129 4.791 1
1 267 . 10 1 1 A 24 24 SER N N 24 122.433 115.033 7.400 1
1 268 . 10 1 1 A 25 25 LYS H H 25 8.323 8.530 -0.207 1
1 269 . 10 1 1 A 25 25 LYS HA H 25 4.137 4.459 -0.322 1
1 276 . 10 1 1 A 25 25 LYS C C 25 177.462 175.086 2.376 1
1 277 . 10 1 1 A 25 25 LYS CA C 25 55.504 55.757 -0.253 1
1 278 . 10 1 1 A 25 25 LYS CB C 25 32.155 31.532 0.623 1
1 281 . 10 1 1 A 25 25 LYS N N 25 121.718 124.183 -2.465 1
1 282 . 10 1 1 A 26 26 ALA H H 26 8.333 8.334 -0.001 1
1 283 . 10 1 1 A 26 26 ALA HA H 26 4.334 5.682 -1.348 1
1 287 . 10 1 1 A 26 26 ALA CA C 26 51.512 50.370 1.142 1
1 288 . 10 1 1 A 26 26 ALA CB C 26 18.486 21.833 -3.347 1
1 289 . 10 1 1 A 26 26 ALA N N 26 125.817 128.212 -2.395 1
1 290 . 10 1 1 A 27 27 LYS H H 27 8.347 8.765 -0.418 1
1 291 . 10 1 1 A 27 27 LYS HA H 27 4.354 5.070 -0.716 1
1 300 . 10 1 1 A 27 27 LYS C C 27 177.923 175.279 2.644 1
1 301 . 10 1 1 A 27 27 LYS CA C 27 55.413 54.932 0.481 1
1 302 . 10 1 1 A 27 27 LYS CB C 27 32.162 35.650 -3.488 1
1 306 . 10 1 1 A 27 27 LYS N N 27 121.810 122.413 -0.603 1
1 307 . 10 1 1 A 28 28 ARG H H 28 8.440 8.391 0.049 1
1 308 . 10 1 1 A 28 28 ARG HA H 28 4.672 5.193 -0.521 1
1 315 . 10 1 1 A 28 28 ARG C C 28 177.474 175.325 2.149 1
1 316 . 10 1 1 A 28 28 ARG CA C 28 55.140 54.731 0.409 1
1 317 . 10 1 1 A 28 28 ARG CB C 28 28.508 31.894 -3.386 1
1 318 . 10 1 1 A 28 28 ARG N N 28 122.679 123.789 -1.110 1
1 319 . 10 1 1 A 29 29 GLU H H 29 8.470 8.426 0.044 1
1 320 . 10 1 1 A 29 29 GLU HA H 29 4.391 5.194 -0.803 1
1 325 . 10 1 1 A 29 29 GLU C C 29 177.057 175.052 2.005 1
1 326 . 10 1 1 A 29 29 GLU CA C 29 55.634 54.732 0.902 1
1 327 . 10 1 1 A 29 29 GLU CB C 29 32.461 34.047 -1.586 1
1 329 . 10 1 1 A 29 29 GLU N N 29 124.395 123.021 1.374 1
1 330 . 10 1 1 A 30 30 ALA H H 30 8.485 8.586 -0.101 1
1 331 . 10 1 1 A 30 30 ALA HA H 30 4.652 4.706 -0.054 1
1 335 . 10 1 1 A 30 30 ALA CA C 30 49.523 48.846 0.677 1
1 336 . 10 1 1 A 30 30 ALA CB C 30 17.328 20.113 -2.785 1
1 337 . 10 1 1 A 30 30 ALA N N 30 128.118 125.399 2.719 1
1 338 . 10 1 1 A 31 31 PRO HA H 31 4.440 4.383 0.057 1
1 345 . 10 1 1 A 31 31 PRO C C 31 177.612 176.236 1.376 1
1 346 . 10 1 1 A 31 31 PRO CA C 31 61.605 65.426 -3.821 1
1 347 . 10 1 1 A 31 31 PRO CB C 31 31.616 32.041 -0.425 1
1 348 . 10 1 1 A 32 32 ILE H H 32 8.202 7.658 0.544 1
1 349 . 10 1 1 A 32 32 ILE HA H 32 3.503 4.724 -1.221 1
1 359 . 10 1 1 A 32 32 ILE C C 32 176.061 176.220 -0.159 1
1 360 . 10 1 1 A 32 32 ILE CA C 32 60.929 58.684 2.245 1
1 361 . 10 1 1 A 32 32 ILE CB C 32 37.219 41.324 -4.105 1
1 365 . 10 1 1 A 32 32 ILE N N 32 121.270 114.715 6.555 1
1 366 . 10 1 1 A 33 33 LYS H H 33 7.434 9.173 -1.739 1
1 367 . 10 1 1 A 33 33 LYS HA H 33 4.370 4.437 -0.067 1
1 376 . 10 1 1 A 33 33 LYS C C 33 176.960 177.598 -0.638 1
1 377 . 10 1 1 A 33 33 LYS CA C 33 56.553 59.043 -2.490 1
1 378 . 10 1 1 A 33 33 LYS CB C 33 35.043 32.392 2.651 1
1 382 . 10 1 1 A 33 33 LYS N N 33 126.133 124.134 1.999 1
1 383 . 10 1 1 A 34 34 TYR H H 34 7.974 8.542 -0.568 1
1 384 . 10 1 1 A 34 34 TYR HA H 34 4.551 4.455 0.096 1
1 389 . 10 1 1 A 34 34 TYR CA C 34 57.337 61.764 -4.427 1
1 390 . 10 1 1 A 34 34 TYR CB C 34 38.051 38.697 -0.646 1
1 393 . 10 1 1 A 34 34 TYR N N 34 121.936 120.656 1.280 1
1 394 . 10 1 1 A 35 35 TRP H H 35 7.912 8.203 -0.291 1
1 395 . 10 1 1 A 35 35 TRP HA H 35 4.687 4.510 0.177 1
1 403 . 10 1 1 A 35 35 TRP C C 35 171.862 176.578 -4.716 1
1 404 . 10 1 1 A 35 35 TRP CA C 35 56.720 59.654 -2.934 1
1 405 . 10 1 1 A 35 35 TRP CB C 35 28.638 30.941 -2.303 1
1 410 . 10 1 1 A 35 35 TRP N N 35 122.844 117.398 5.446 1
1 412 . 10 1 1 A 36 36 LEU H H 36 7.598 7.872 -0.274 1
1 413 . 10 1 1 A 36 36 LEU HA H 36 4.028 4.761 -0.733 1
1 423 . 10 1 1 A 36 36 LEU CA C 36 47.586 51.432 -3.846 1
1 424 . 10 1 1 A 36 36 LEU CB C 36 39.448 43.365 -3.917 1
1 428 . 10 1 1 A 36 36 LEU N N 36 117.117 119.062 -1.945 1
1 429 . 10 1 1 A 37 37 PRO HA H 37 4.340 4.580 -0.240 1
1 436 . 10 1 1 A 37 37 PRO C C 37 175.850 176.198 -0.348 1
1 437 . 10 1 1 A 37 37 PRO CA C 37 62.513 64.426 -1.913 1
1 438 . 10 1 1 A 37 37 PRO CB C 37 31.510 31.811 -0.301 1
1 439 . 10 1 1 A 38 38 HIS H H 38 7.704 7.818 -0.114 1
1 440 . 10 1 1 A 38 38 HIS HA H 38 4.366 4.957 -0.591 1
1 445 . 10 1 1 A 38 38 HIS C C 38 176.772 173.289 3.483 1
1 446 . 10 1 1 A 38 38 HIS CA C 38 56.604 53.968 2.636 1
1 447 . 10 1 1 A 38 38 HIS CB C 38 28.736 31.548 -2.812 1
1 450 . 10 1 1 A 38 38 HIS N N 38 111.845 116.696 -4.851 1
1 451 . 10 1 1 A 39 39 SER H H 39 6.451 8.865 -2.414 1
1 452 . 10 1 1 A 39 39 SER HA H 39 4.620 4.751 -0.131 1
1 455 . 10 1 1 A 39 39 SER C C 39 176.576 174.104 2.472 1
1 456 . 10 1 1 A 39 39 SER CA C 39 56.604 58.324 -1.720 1
1 457 . 10 1 1 A 39 39 SER CB C 39 65.579 63.581 1.998 1
1 458 . 10 1 1 A 39 39 SER N N 39 113.386 120.230 -6.844 1
1 459 . 10 1 1 A 40 40 GLY H H 40 8.420 8.463 -0.043 1
1 460 . 10 1 1 A 40 40 GLY HA2 H 40 4.346 4.180 0.166 1
1 461 . 10 1 1 A 40 40 GLY HA3 H 40 3.741 4.219 -0.478 1
1 462 . 10 1 1 A 40 40 GLY C C 40 176.997 173.261 3.736 1
1 463 . 10 1 1 A 40 40 GLY CA C 40 44.153 45.560 -1.407 1
1 464 . 10 1 1 A 40 40 GLY N N 40 113.160 111.779 1.381 1
1 465 . 10 1 1 A 41 41 ALA H H 41 7.187 8.629 -1.442 1
1 466 . 10 1 1 A 41 41 ALA HA H 41 4.397 5.173 -0.776 1
1 470 . 10 1 1 A 41 41 ALA C C 41 177.989 176.637 1.352 1
1 471 . 10 1 1 A 41 41 ALA CA C 41 51.533 50.913 0.620 1
1 472 . 10 1 1 A 41 41 ALA CB C 41 17.990 21.184 -3.194 1
1 473 . 10 1 1 A 41 41 ALA N N 41 123.786 125.263 -1.477 1
1 474 . 10 1 1 A 42 42 THR H H 42 8.358 8.872 -0.514 1
1 475 . 10 1 1 A 42 42 THR HA H 42 5.612 4.752 0.860 1
1 480 . 10 1 1 A 42 42 THR C C 42 175.505 173.118 2.387 1
1 481 . 10 1 1 A 42 42 THR CA C 42 58.816 61.406 -2.590 1
1 482 . 10 1 1 A 42 42 THR CB C 42 71.944 69.312 2.632 1
1 484 . 10 1 1 A 42 42 THR N N 42 108.609 119.077 -10.468 1
1 485 . 10 1 1 A 43 43 TRP H H 43 8.625 8.977 -0.352 1
1 486 . 10 1 1 A 43 43 TRP HA H 43 5.338 5.417 -0.079 1
1 494 . 10 1 1 A 43 43 TRP C C 43 177.892 174.736 3.156 1
1 495 . 10 1 1 A 43 43 TRP CA C 43 54.345 54.792 -0.447 1
1 496 . 10 1 1 A 43 43 TRP CB C 43 31.571 31.341 0.230 1
1 501 . 10 1 1 A 43 43 TRP N N 43 117.778 132.327 -14.549 1
1 503 . 10 1 1 A 44 44 SER H H 44 8.451 8.895 -0.444 1
1 504 . 10 1 1 A 44 44 SER HA H 44 4.498 5.118 -0.620 1
1 507 . 10 1 1 A 44 44 SER C C 44 175.850 174.102 1.748 1
1 508 . 10 1 1 A 44 44 SER CA C 44 57.363 57.578 -0.215 1
1 509 . 10 1 1 A 44 44 SER CB C 44 62.550 63.640 -1.090 1
1 510 . 10 1 1 A 44 44 SER N N 44 117.818 121.596 -3.778 1
1 511 . 10 1 1 A 45 45 GLY H H 45 7.513 8.096 -0.583 1
1 512 . 10 1 1 A 45 45 GLY HA2 H 45 4.344 4.232 0.112 1
1 513 . 10 1 1 A 45 45 GLY HA3 H 45 3.775 4.340 -0.565 1
1 514 . 10 1 1 A 45 45 GLY C C 45 172.858 173.499 -0.641 1
1 515 . 10 1 1 A 45 45 GLY CA C 45 44.312 46.131 -1.819 1
1 516 . 10 1 1 A 45 45 GLY N N 45 111.146 111.493 -0.347 1
1 517 . 10 1 1 A 46 46 ARG H H 46 8.534 8.064 0.470 1
1 518 . 10 1 1 A 46 46 ARG HA H 46 4.632 4.248 0.384 1
1 525 . 10 1 1 A 46 46 ARG C C 46 177.983 176.055 1.928 1
1 526 . 10 1 1 A 46 46 ARG CA C 46 53.530 55.503 -1.973 1
1 527 . 10 1 1 A 46 46 ARG CB C 46 31.064 31.123 -0.059 1
1 530 . 10 1 1 A 46 46 ARG N N 46 120.921 123.856 -2.935 1
1 531 . 10 1 1 A 47 47 GLY H H 47 8.864 8.469 0.395 1
1 532 . 10 1 1 A 47 47 GLY HA2 H 47 3.919 3.750 0.169 1
1 533 . 10 1 1 A 47 47 GLY HA3 H 47 4.336 3.762 0.574 1
1 534 . 10 1 1 A 47 47 GLY C C 47 177.440 173.061 4.379 1
1 535 . 10 1 1 A 47 47 GLY CA C 47 44.060 46.872 -2.812 1
1 536 . 10 1 1 A 47 47 GLY N N 47 111.872 111.613 0.259 1
1 537 . 10 1 1 A 48 48 LYS H H 48 7.752 8.581 -0.829 1
1 538 . 10 1 1 A 48 48 LYS HA H 48 4.274 4.512 -0.238 1
1 547 . 10 1 1 A 48 48 LYS C C 48 178.053 175.063 2.990 1
1 548 . 10 1 1 A 48 48 LYS CA C 48 55.302 55.436 -0.134 1
1 549 . 10 1 1 A 48 48 LYS CB C 48 32.162 32.913 -0.751 1
1 550 . 10 1 1 A 48 48 LYS N N 48 125.971 125.599 0.372 1
1 551 . 10 1 1 A 49 49 ILE H H 49 8.236 8.468 -0.232 1
1 552 . 10 1 1 A 49 49 ILE HA H 49 2.797 4.617 -1.820 1
1 562 . 10 1 1 A 49 49 ILE CA C 49 58.222 57.740 0.482 1
1 563 . 10 1 1 A 49 49 ILE CB C 49 37.578 40.895 -3.317 1
1 567 . 10 1 1 A 49 49 ILE N N 49 126.182 127.696 -1.514 1
1 568 . 10 1 1 A 50 50 PRO HA H 50 4.344 4.594 -0.250 1
1 571 . 10 1 1 A 50 50 PRO C C 50 178.547 176.942 1.605 1
1 572 . 10 1 1 A 50 50 PRO CA C 50 60.998 63.300 -2.302 1
1 573 . 10 1 1 A 50 50 PRO CB C 50 32.796 30.816 1.980 1
1 575 . 10 1 1 A 51 51 LYS H H 51 9.065 8.171 0.894 1
1 576 . 10 1 1 A 51 51 LYS HA H 51 4.870 4.054 0.816 1
1 581 . 10 1 1 A 51 51 LYS CA C 51 59.788 60.931 -1.143 1
1 582 . 10 1 1 A 51 51 LYS CB C 51 28.838 30.243 -1.405 1
1 583 . 10 1 1 A 51 51 LYS N N 51 125.299 120.990 4.309 1
1 584 . 10 1 1 A 52 52 PRO HA H 52 4.391 4.337 0.054 1
1 591 . 10 1 1 A 52 52 PRO C C 52 181.184 179.261 1.923 1
1 592 . 10 1 1 A 52 52 PRO CA C 52 64.975 65.702 -0.727 1
1 593 . 10 1 1 A 52 52 PRO CB C 52 30.072 30.903 -0.831 1
1 595 . 10 1 1 A 53 53 PHE H H 53 7.144 7.556 -0.412 1
1 596 . 10 1 1 A 53 53 PHE HA H 53 3.875 4.052 -0.177 1
1 601 . 10 1 1 A 53 53 PHE C C 53 177.838 177.768 0.070 1
1 602 . 10 1 1 A 53 53 PHE CA C 53 60.265 61.565 -1.300 1
1 603 . 10 1 1 A 53 53 PHE CB C 53 37.091 39.367 -2.276 1
1 606 . 10 1 1 A 53 53 PHE N N 53 116.868 118.353 -1.485 1
1 607 . 10 1 1 A 54 54 GLU H H 54 7.788 8.443 -0.655 1
1 608 . 10 1 1 A 54 54 GLU HA H 54 3.997 3.814 0.183 1
1 613 . 10 1 1 A 54 54 GLU C C 54 180.998 178.567 2.431 1
1 614 . 10 1 1 A 54 54 GLU CA C 54 58.691 58.994 -0.303 1
1 615 . 10 1 1 A 54 54 GLU CB C 54 29.328 29.570 -0.242 1
1 617 . 10 1 1 A 54 54 GLU N N 54 120.523 119.179 1.344 1
1 618 . 10 1 1 A 55 55 ALA H H 55 8.379 7.984 0.395 1
1 619 . 10 1 1 A 55 55 ALA HA H 55 4.086 4.100 -0.014 1
1 623 . 10 1 1 A 55 55 ALA C C 55 180.899 179.233 1.666 1
1 624 . 10 1 1 A 55 55 ALA CA C 55 53.119 55.068 -1.949 1
1 625 . 10 1 1 A 55 55 ALA CB C 55 17.854 18.234 -0.380 1
1 626 . 10 1 1 A 55 55 ALA N N 55 119.006 121.633 -2.627 1
1 627 . 10 1 1 A 56 56 TRP H H 56 7.575 7.748 -0.173 1
1 628 . 10 1 1 A 56 56 TRP HA H 56 4.616 4.319 0.297 1
1 634 . 10 1 1 A 56 56 TRP C C 56 179.334 177.968 1.366 1
1 635 . 10 1 1 A 56 56 TRP CA C 56 59.039 61.605 -2.566 1
1 636 . 10 1 1 A 56 56 TRP CB C 56 27.791 29.667 -1.876 1
1 639 . 10 1 1 A 56 56 TRP N N 56 119.770 120.009 -0.239 1
1 641 . 10 1 1 A 57 57 ILE H H 57 7.291 8.092 -0.801 1
1 642 . 10 1 1 A 57 57 ILE HA H 57 2.517 3.809 -1.292 1
1 651 . 10 1 1 A 57 57 ILE C C 57 177.768 177.282 0.486 1
1 652 . 10 1 1 A 57 57 ILE CA C 57 62.722 63.898 -1.176 1
1 653 . 10 1 1 A 57 57 ILE CB C 57 36.507 36.865 -0.358 1
1 657 . 10 1 1 A 57 57 ILE N N 57 117.374 118.515 -1.141 1
1 658 . 10 1 1 A 58 58 GLY H H 58 6.565 7.620 -1.055 1
1 659 . 10 1 1 A 58 58 GLY HA2 H 58 3.985 3.839 0.146 1
1 660 . 10 1 1 A 58 58 GLY HA3 H 58 4.069 3.937 0.132 1
1 661 . 10 1 1 A 58 58 GLY C C 58 178.787 175.759 3.028 1
1 662 . 10 1 1 A 58 58 GLY CA C 58 43.958 45.336 -1.378 1
1 663 . 10 1 1 A 58 58 GLY N N 58 110.422 109.415 1.007 1
1 664 . 10 1 1 A 59 59 THR H H 59 7.629 7.624 0.005 1
1 665 . 10 1 1 A 59 59 THR HA H 59 4.554 3.880 0.674 1
1 670 . 10 1 1 A 59 59 THR CA C 59 60.466 65.222 -4.756 1
1 671 . 10 1 1 A 59 59 THR CB C 59 71.728 68.297 3.431 1
1 672 . 10 1 1 A 59 59 THR N N 59 111.600 117.355 -5.755 1
1 673 . 10 1 1 A 60 60 ALA H H 60 9.010 7.280 1.730 1
1 674 . 10 1 1 A 60 60 ALA HA H 60 4.917 4.453 0.464 1
1 678 . 10 1 1 A 60 60 ALA C C 60 182.933 178.259 4.674 1
1 679 . 10 1 1 A 60 60 ALA CA C 60 54.222 52.952 1.270 1
1 680 . 10 1 1 A 60 60 ALA CB C 60 18.122 20.840 -2.718 1
1 681 . 10 1 1 A 60 60 ALA N N 60 125.890 119.902 5.988 1
1 682 . 10 1 1 A 61 61 ALA H H 61 8.368 7.861 0.507 1
1 683 . 10 1 1 A 61 61 ALA HA H 61 4.256 4.132 0.124 1
1 687 . 10 1 1 A 61 61 ALA C C 61 182.536 179.245 3.291 1
1 688 . 10 1 1 A 61 61 ALA CA C 61 54.071 54.969 -0.898 1
1 689 . 10 1 1 A 61 61 ALA CB C 61 18.122 18.109 0.013 1
1 690 . 10 1 1 A 61 61 ALA N N 61 121.272 120.588 0.684 1
1 691 . 10 1 1 A 62 62 TYR H H 62 7.310 8.324 -1.014 1
1 692 . 10 1 1 A 62 62 TYR HA H 62 3.381 4.064 -0.683 1
1 697 . 10 1 1 A 62 62 TYR C C 62 177.889 177.341 0.548 1
1 698 . 10 1 1 A 62 62 TYR CA C 62 60.203 61.700 -1.497 1
1 699 . 10 1 1 A 62 62 TYR CB C 62 36.771 38.603 -1.832 1
1 702 . 10 1 1 A 62 62 TYR N N 62 122.066 120.603 1.463 1
1 703 . 10 1 1 A 63 63 THR H H 63 8.303 8.342 -0.039 1
1 704 . 10 1 1 A 63 63 THR HA H 63 4.405 3.745 0.660 1
1 709 . 10 1 1 A 63 63 THR C C 63 178.200 177.090 1.110 1
1 710 . 10 1 1 A 63 63 THR CA C 63 65.547 65.594 -0.047 1
1 711 . 10 1 1 A 63 63 THR CB C 63 67.470 68.671 -1.201 1
1 712 . 10 1 1 A 63 63 THR N N 63 117.473 114.213 3.260 1
1 713 . 10 1 1 A 64 64 ALA H H 64 7.931 7.552 0.379 1
1 714 . 10 1 1 A 64 64 ALA HA H 64 4.220 4.067 0.153 1
1 718 . 10 1 1 A 64 64 ALA C C 64 181.966 179.395 2.571 1
1 719 . 10 1 1 A 64 64 ALA CA C 64 53.966 54.857 -0.891 1
1 720 . 10 1 1 A 64 64 ALA CB C 64 17.432 18.428 -0.996 1
1 721 . 10 1 1 A 64 64 ALA N N 64 123.649 122.910 0.739 1
1 722 . 10 1 1 A 65 65 TRP H H 65 8.049 8.428 -0.379 1
1 723 . 10 1 1 A 65 65 TRP HA H 65 4.294 4.067 0.227 1
1 729 . 10 1 1 A 65 65 TRP C C 65 181.255 178.633 2.622 1
1 730 . 10 1 1 A 65 65 TRP CA C 65 61.458 61.393 0.065 1
1 731 . 10 1 1 A 65 65 TRP CB C 65 27.748 29.560 -1.812 1
1 734 . 10 1 1 A 65 65 TRP N N 65 121.372 120.241 1.131 1
1 736 . 10 1 1 A 66 66 LYS H H 66 9.624 8.437 1.187 1
1 737 . 10 1 1 A 66 66 LYS HA H 66 4.352 4.076 0.276 1
1 745 . 10 1 1 A 66 66 LYS C C 66 180.615 178.961 1.654 1
1 746 . 10 1 1 A 66 66 LYS CA C 66 56.030 59.490 -3.460 1
1 747 . 10 1 1 A 66 66 LYS CB C 66 30.842 31.940 -1.098 1
1 751 . 10 1 1 A 66 66 LYS N N 66 123.631 118.409 5.222 1
1 752 . 10 1 1 A 67 67 ALA H H 67 8.822 7.767 1.055 1
1 753 . 10 1 1 A 67 67 ALA HA H 67 4.027 3.952 0.075 1
1 757 . 10 1 1 A 67 67 ALA C C 67 180.899 179.415 1.484 1
1 758 . 10 1 1 A 67 67 ALA CA C 67 53.759 54.413 -0.654 1
1 759 . 10 1 1 A 67 67 ALA CB C 67 17.534 18.191 -0.657 1
1 760 . 10 1 1 A 67 67 ALA N N 67 120.803 122.062 -1.259 1
1 761 . 10 1 1 A 68 68 LYS H H 68 6.888 7.477 -0.589 1
1 762 . 10 1 1 A 68 68 LYS HA H 68 4.233 4.056 0.177 1
1 771 . 10 1 1 A 68 68 LYS C C 68 175.989 176.231 -0.242 1
1 772 . 10 1 1 A 68 68 LYS CA C 68 54.355 57.370 -3.015 1
1 773 . 10 1 1 A 68 68 LYS CB C 68 33.056 33.110 -0.054 1
1 777 . 10 1 1 A 68 68 LYS N N 68 113.741 114.875 -1.134 1
1 778 . 10 1 1 A 69 69 HIS H H 69 7.111 7.715 -0.604 1
1 779 . 10 1 1 A 69 69 HIS HA H 69 4.768 4.700 0.068 1
1 784 . 10 1 1 A 69 69 HIS CA C 69 52.654 53.391 -0.737 1
1 785 . 10 1 1 A 69 69 HIS CB C 69 27.381 32.063 -4.682 1
1 788 . 10 1 1 A 69 69 HIS N N 69 120.596 116.075 4.521 1
1 789 . 10 1 1 A 70 70 PRO HA H 70 4.230 4.342 -0.112 1
1 796 . 10 1 1 A 70 70 PRO C C 70 179.651 176.787 2.864 1
1 797 . 10 1 1 A 70 70 PRO CA C 70 64.184 65.982 -1.798 1
1 798 . 10 1 1 A 70 70 PRO CB C 70 30.854 31.461 -0.607 1
1 800 . 10 1 1 A 71 71 ASP H H 71 8.619 8.072 0.547 1
1 801 . 10 1 1 A 71 71 ASP HA H 71 4.917 4.929 -0.012 1
1 804 . 10 1 1 A 71 71 ASP C C 71 177.057 176.012 1.045 1
1 805 . 10 1 1 A 71 71 ASP CA C 71 52.975 52.626 0.349 1
1 806 . 10 1 1 A 71 71 ASP CB C 71 40.475 40.854 -0.379 1
1 807 . 10 1 1 A 71 71 ASP N N 71 116.294 116.537 -0.243 1
1 808 . 10 1 1 A 72 72 GLU H H 72 7.389 8.415 -1.026 1
1 809 . 10 1 1 A 72 72 GLU HA H 72 4.920 4.405 0.515 1
1 814 . 10 1 1 A 72 72 GLU C C 72 176.986 177.081 -0.095 1
1 815 . 10 1 1 A 72 72 GLU CA C 72 54.236 58.323 -4.087 1
1 816 . 10 1 1 A 72 72 GLU CB C 72 33.622 30.739 2.883 1
1 818 . 10 1 1 A 72 72 GLU N N 72 120.136 125.677 -5.541 1
1 819 . 10 1 1 A 73 73 LYS H H 73 9.155 7.675 1.480 1
1 820 . 10 1 1 A 73 73 LYS HA H 73 4.245 3.989 0.256 1
1 829 . 10 1 1 A 73 73 LYS C C 73 176.680 176.171 0.509 1
1 830 . 10 1 1 A 73 73 LYS CA C 73 57.999 55.984 2.015 1
1 831 . 10 1 1 A 73 73 LYS CB C 73 33.418 32.167 1.251 1
1 835 . 10 1 1 A 73 73 LYS N N 73 121.554 120.658 0.896 1
1 836 . 10 1 1 A 74 74 PHE H H 74 7.171 8.885 -1.714 1
1 837 . 10 1 1 A 74 74 PHE HA H 74 4.600 4.502 0.098 1
1 843 . 10 1 1 A 74 74 PHE CA C 74 55.159 56.951 -1.792 1
1 844 . 10 1 1 A 74 74 PHE CB C 74 40.451 40.167 0.284 1
1 848 . 10 1 1 A 74 74 PHE N N 74 111.944 127.144 -15.200 1
1 849 . 10 1 1 A 75 75 PRO HA H 75 4.640 4.323 0.317 1
1 856 . 10 1 1 A 75 75 PRO C C 75 176.914 174.643 2.271 1
1 857 . 10 1 1 A 75 75 PRO CA C 75 62.713 61.878 0.835 1
1 858 . 10 1 1 A 75 75 PRO CB C 75 30.073 28.782 1.291 1
1 860 . 10 1 1 A 76 76 ALA H H 76 9.039 8.566 0.473 1
1 861 . 10 1 1 A 76 76 ALA HA H 76 4.870 5.123 -0.253 1
1 865 . 10 1 1 A 76 76 ALA C C 76 179.974 176.969 3.005 1
1 866 . 10 1 1 A 76 76 ALA CA C 76 50.923 50.642 0.281 1
1 867 . 10 1 1 A 76 76 ALA CB C 76 18.130 20.932 -2.802 1
1 868 . 10 1 1 A 76 76 ALA N N 76 128.387 124.600 3.787 1
1 869 . 10 1 1 A 77 77 PHE H H 77 8.117 8.942 -0.825 1
1 870 . 10 1 1 A 77 77 PHE HA H 77 4.915 5.145 -0.230 1
1 875 . 10 1 1 A 77 77 PHE CA C 77 53.371 55.334 -1.963 1
1 876 . 10 1 1 A 77 77 PHE CB C 77 36.523 40.570 -4.047 1
1 878 . 10 1 1 A 77 77 PHE N N 77 125.115 119.345 5.770 1
1 879 . 10 1 1 A 78 78 PRO HA H 78 4.245 4.830 -0.585 1
1 886 . 10 1 1 A 78 78 PRO C C 78 176.487 175.875 0.612 1
1 887 . 10 1 1 A 78 78 PRO CA C 78 62.480 62.350 0.130 1
1 888 . 10 1 1 A 78 78 PRO CB C 78 30.324 30.917 -0.593 1
1 13 . 11 1 1 A 2 2 ASN H H 2 9.438 9.146 0.292 1
1 14 . 11 1 1 A 2 2 ASN HA H 2 5.912 4.677 1.235 1
1 19 . 11 1 1 A 2 2 ASN C C 2 175.436 175.448 -0.012 1
1 20 . 11 1 1 A 2 2 ASN CA C 2 54.299 55.851 -1.552 1
1 21 . 11 1 1 A 2 2 ASN CB C 2 38.092 38.524 -0.432 1
1 22 . 11 1 1 A 2 2 ASN N N 2 121.344 119.930 1.414 1
1 24 . 11 1 1 A 3 3 VAL H H 3 8.328 7.792 0.536 1
1 25 . 11 1 1 A 3 3 VAL HA H 3 4.161 5.037 -0.876 1
1 30 . 11 1 1 A 3 3 VAL C C 3 178.200 175.091 3.109 1
1 31 . 11 1 1 A 3 3 VAL CA C 3 61.577 60.644 0.933 1
1 32 . 11 1 1 A 3 3 VAL CB C 3 32.162 33.545 -1.383 1
1 34 . 11 1 1 A 3 3 VAL N N 3 122.195 118.849 3.346 1
1 35 . 11 1 1 A 4 4 LYS H H 4 8.474 8.392 0.082 1
1 36 . 11 1 1 A 4 4 LYS HA H 4 4.283 4.817 -0.534 1
1 44 . 11 1 1 A 4 4 LYS C C 4 177.509 175.726 1.783 1
1 45 . 11 1 1 A 4 4 LYS CA C 4 55.197 54.998 0.199 1
1 46 . 11 1 1 A 4 4 LYS CB C 4 30.194 35.641 -5.447 1
1 47 . 11 1 1 A 4 4 LYS N N 4 122.239 128.665 -6.426 1
1 48 . 11 1 1 A 5 5 GLN H H 5 8.507 8.613 -0.106 1
1 49 . 11 1 1 A 5 5 GLN HA H 5 4.383 4.385 -0.002 1
1 56 . 11 1 1 A 5 5 GLN C C 5 177.440 176.313 1.127 1
1 57 . 11 1 1 A 5 5 GLN CA C 5 55.081 56.170 -1.089 1
1 58 . 11 1 1 A 5 5 GLN CB C 5 29.505 29.968 -0.463 1
1 60 . 11 1 1 A 5 5 GLN N N 5 123.847 123.801 0.046 1
1 62 . 11 1 1 A 6 6 LYS H H 6 8.407 8.683 -0.276 1
1 63 . 11 1 1 A 6 6 LYS HA H 6 4.392 4.550 -0.158 1
1 72 . 11 1 1 A 6 6 LYS C C 6 178.373 176.283 2.090 1
1 73 . 11 1 1 A 6 6 LYS CA C 6 61.491 56.868 4.623 1
1 74 . 11 1 1 A 6 6 LYS CB C 6 31.993 33.085 -1.092 1
1 78 . 11 1 1 A 6 6 LYS N N 6 123.099 121.706 1.393 1
1 79 . 11 1 1 A 7 7 SER H H 7 8.516 9.005 -0.489 1
1 80 . 11 1 1 A 7 7 SER HA H 7 4.483 5.195 -0.712 1
1 83 . 11 1 1 A 7 7 SER C C 7 175.401 173.664 1.737 1
1 84 . 11 1 1 A 7 7 SER CA C 7 57.370 57.586 -0.216 1
1 85 . 11 1 1 A 7 7 SER CB C 7 62.979 65.126 -2.147 1
1 86 . 11 1 1 A 7 7 SER N N 7 117.184 121.269 -4.085 1
1 87 . 11 1 1 A 8 8 GLU H H 8 8.548 9.174 -0.626 1
1 88 . 11 1 1 A 8 8 GLU HA H 8 4.397 5.220 -0.823 1
1 93 . 11 1 1 A 8 8 GLU C C 8 177.785 175.401 2.384 1
1 94 . 11 1 1 A 8 8 GLU CA C 8 55.856 55.205 0.651 1
1 95 . 11 1 1 A 8 8 GLU CB C 8 29.726 31.062 -1.336 1
1 97 . 11 1 1 A 8 8 GLU N N 8 123.697 125.086 -1.389 1
1 98 . 11 1 1 A 9 9 ILE H H 9 8.279 8.899 -0.620 1
1 99 . 11 1 1 A 9 9 ILE HA H 9 4.276 4.819 -0.543 1
1 109 . 11 1 1 A 9 9 ILE C C 9 177.958 175.553 2.405 1
1 110 . 11 1 1 A 9 9 ILE CA C 9 60.538 59.757 0.781 1
1 111 . 11 1 1 A 9 9 ILE CB C 9 37.725 41.603 -3.878 1
1 115 . 11 1 1 A 9 9 ILE N N 9 122.616 125.153 -2.537 1
1 116 . 11 1 1 A 10 10 THR H H 10 8.255 8.626 -0.371 1
1 117 . 11 1 1 A 10 10 THR HA H 10 4.592 4.445 0.147 1
1 122 . 11 1 1 A 10 10 THR C C 10 174.993 174.257 0.736 1
1 123 . 11 1 1 A 10 10 THR CA C 10 61.010 62.283 -1.273 1
1 124 . 11 1 1 A 10 10 THR CB C 10 68.505 69.495 -0.990 1
1 126 . 11 1 1 A 10 10 THR N N 10 119.401 121.573 -2.172 1
1 127 . 11 1 1 A 11 11 ALA H H 11 8.308 8.316 -0.008 1
1 128 . 11 1 1 A 11 11 ALA HA H 11 4.400 4.533 -0.133 1
1 132 . 11 1 1 A 11 11 ALA C C 11 178.822 176.779 2.043 1
1 133 . 11 1 1 A 11 11 ALA CA C 11 51.438 52.744 -1.306 1
1 134 . 11 1 1 A 11 11 ALA CB C 11 18.303 18.991 -0.688 1
1 135 . 11 1 1 A 11 11 ALA N N 11 127.285 126.957 0.328 1
1 136 . 11 1 1 A 12 12 LEU H H 12 8.228 8.634 -0.406 1
1 137 . 11 1 1 A 12 12 LEU HA H 12 4.457 4.979 -0.522 1
1 147 . 11 1 1 A 12 12 LEU C C 12 178.787 176.136 2.651 1
1 148 . 11 1 1 A 12 12 LEU CA C 12 54.261 53.525 0.736 1
1 149 . 11 1 1 A 12 12 LEU CB C 12 41.457 44.730 -3.273 1
1 152 . 11 1 1 A 12 12 LEU N N 12 122.431 125.261 -2.830 1
1 153 . 11 1 1 A 13 13 VAL H H 13 8.171 8.355 -0.184 1
1 154 . 11 1 1 A 13 13 VAL HA H 13 4.164 4.082 0.082 1
1 159 . 11 1 1 A 13 13 VAL C C 13 177.412 175.635 1.777 1
1 160 . 11 1 1 A 13 13 VAL CA C 13 61.489 62.277 -0.788 1
1 161 . 11 1 1 A 13 13 VAL CB C 13 31.791 32.593 -0.802 1
1 163 . 11 1 1 A 13 13 VAL N N 13 122.619 122.569 0.050 1
1 164 . 11 1 1 A 14 14 LYS H H 14 8.459 8.135 0.324 1
1 165 . 11 1 1 A 14 14 LYS HA H 14 4.375 4.334 0.041 1
1 174 . 11 1 1 A 14 14 LYS C C 14 177.509 176.418 1.091 1
1 175 . 11 1 1 A 14 14 LYS CA C 14 55.532 56.582 -1.050 1
1 176 . 11 1 1 A 14 14 LYS CB C 14 32.114 33.188 -1.074 1
1 180 . 11 1 1 A 14 14 LYS N N 14 125.566 124.194 1.372 1
1 181 . 11 1 1 A 15 15 GLU H H 15 8.434 8.655 -0.221 1
1 182 . 11 1 1 A 15 15 GLU HA H 15 4.380 4.742 -0.362 1
1 187 . 11 1 1 A 15 15 GLU C C 15 177.440 175.789 1.651 1
1 188 . 11 1 1 A 15 15 GLU CA C 15 55.302 56.140 -0.838 1
1 189 . 11 1 1 A 15 15 GLU CB C 15 29.616 30.651 -1.035 1
1 190 . 11 1 1 A 15 15 GLU N N 15 123.950 125.386 -1.436 1
1 191 . 11 1 1 A 16 16 VAL H H 16 8.326 8.703 -0.377 1
1 192 . 11 1 1 A 16 16 VAL HA H 16 4.205 4.683 -0.478 1
1 197 . 11 1 1 A 16 16 VAL CA C 16 61.613 60.414 1.199 1
1 198 . 11 1 1 A 16 16 VAL CB C 16 32.231 36.111 -3.880 1
1 199 . 11 1 1 A 16 16 VAL N N 16 123.175 123.701 -0.526 1
1 200 . 11 1 1 A 17 17 THR H H 17 8.171 9.076 -0.905 1
1 201 . 11 1 1 A 17 17 THR HA H 17 4.470 4.185 0.285 1
1 206 . 11 1 1 A 17 17 THR CA C 17 57.893 67.405 -9.512 1
1 207 . 11 1 1 A 17 17 THR CB C 17 70.047 67.645 2.402 1
1 208 . 11 1 1 A 17 17 THR N N 17 119.533 118.587 0.946 1
1 209 . 11 1 1 A 19 19 PRO HA H 19 4.355 4.680 -0.325 1
1 212 . 11 1 1 A 19 19 PRO C C 19 177.057 175.246 1.811 1
1 213 . 11 1 1 A 19 19 PRO CA C 19 61.531 62.404 -0.873 1
1 214 . 11 1 1 A 19 19 PRO CB C 19 31.869 29.161 2.708 1
1 215 . 11 1 1 A 20 20 ARG H H 20 8.435 8.690 -0.255 1
1 216 . 11 1 1 A 20 20 ARG HA H 20 4.391 4.920 -0.529 1
1 223 . 11 1 1 A 20 20 ARG C C 20 177.509 174.935 2.574 1
1 224 . 11 1 1 A 20 20 ARG CA C 20 55.300 54.914 0.386 1
1 225 . 11 1 1 A 20 20 ARG CB C 20 32.492 33.069 -0.577 1
1 228 . 11 1 1 A 20 20 ARG N N 20 126.489 122.620 3.869 1
1 229 . 11 1 1 A 21 21 LYS H H 21 8.426 8.892 -0.466 1
1 230 . 11 1 1 A 21 21 LYS HA H 21 4.397 4.929 -0.532 1
1 239 . 11 1 1 A 21 21 LYS C C 21 177.412 175.537 1.875 1
1 240 . 11 1 1 A 21 21 LYS CA C 21 55.296 54.917 0.379 1
1 241 . 11 1 1 A 21 21 LYS CB C 21 29.837 33.980 -4.143 1
1 244 . 11 1 1 A 21 21 LYS N N 21 123.626 124.284 -0.658 1
1 245 . 11 1 1 A 22 22 ALA H H 22 8.378 8.658 -0.280 1
1 246 . 11 1 1 A 22 22 ALA HA H 22 4.628 4.657 -0.029 1
1 250 . 11 1 1 A 22 22 ALA CA C 22 49.376 50.589 -1.213 1
1 251 . 11 1 1 A 22 22 ALA CB C 22 17.501 18.541 -1.040 1
1 252 . 11 1 1 A 22 22 ALA N N 22 127.197 128.648 -1.451 1
1 253 . 11 1 1 A 23 23 PRO HA H 23 4.219 4.803 -0.584 1
1 257 . 11 1 1 A 23 23 PRO C C 23 177.440 176.047 1.393 1
1 258 . 11 1 1 A 23 23 PRO CA C 23 61.724 62.224 -0.500 1
1 259 . 11 1 1 A 23 23 PRO CB C 23 32.162 29.139 3.023 1
1 260 . 11 1 1 A 24 24 SER H H 24 8.425 8.399 0.026 1
1 261 . 11 1 1 A 24 24 SER HA H 24 4.344 4.561 -0.217 1
1 264 . 11 1 1 A 24 24 SER C C 24 175.610 174.526 1.084 1
1 265 . 11 1 1 A 24 24 SER CA C 24 58.845 57.482 1.363 1
1 266 . 11 1 1 A 24 24 SER CB C 24 68.920 63.805 5.115 1
1 267 . 11 1 1 A 24 24 SER N N 24 122.433 115.086 7.347 1
1 268 . 11 1 1 A 25 25 LYS H H 25 8.323 8.546 -0.223 1
1 269 . 11 1 1 A 25 25 LYS HA H 25 4.137 4.490 -0.353 1
1 276 . 11 1 1 A 25 25 LYS C C 25 177.462 174.992 2.470 1
1 277 . 11 1 1 A 25 25 LYS CA C 25 55.504 55.858 -0.354 1
1 278 . 11 1 1 A 25 25 LYS CB C 25 32.155 31.468 0.687 1
1 281 . 11 1 1 A 25 25 LYS N N 25 121.718 124.028 -2.310 1
1 282 . 11 1 1 A 26 26 ALA H H 26 8.333 8.395 -0.062 1
1 283 . 11 1 1 A 26 26 ALA HA H 26 4.334 5.718 -1.384 1
1 287 . 11 1 1 A 26 26 ALA CA C 26 51.512 50.358 1.154 1
1 288 . 11 1 1 A 26 26 ALA CB C 26 18.486 21.202 -2.716 1
1 289 . 11 1 1 A 26 26 ALA N N 26 125.817 128.273 -2.456 1
1 290 . 11 1 1 A 27 27 LYS H H 27 8.347 8.503 -0.156 1
1 291 . 11 1 1 A 27 27 LYS HA H 27 4.354 5.054 -0.700 1
1 300 . 11 1 1 A 27 27 LYS C C 27 177.923 175.549 2.374 1
1 301 . 11 1 1 A 27 27 LYS CA C 27 55.413 54.493 0.920 1
1 302 . 11 1 1 A 27 27 LYS CB C 27 32.162 35.396 -3.234 1
1 306 . 11 1 1 A 27 27 LYS N N 27 121.810 122.761 -0.951 1
1 307 . 11 1 1 A 28 28 ARG H H 28 8.440 8.457 -0.017 1
1 308 . 11 1 1 A 28 28 ARG HA H 28 4.672 4.968 -0.296 1
1 315 . 11 1 1 A 28 28 ARG C C 28 177.474 175.272 2.202 1
1 316 . 11 1 1 A 28 28 ARG CA C 28 55.140 54.804 0.336 1
1 317 . 11 1 1 A 28 28 ARG CB C 28 28.508 31.522 -3.014 1
1 318 . 11 1 1 A 28 28 ARG N N 28 122.679 124.179 -1.500 1
1 319 . 11 1 1 A 29 29 GLU H H 29 8.470 8.789 -0.319 1
1 320 . 11 1 1 A 29 29 GLU HA H 29 4.391 5.136 -0.745 1
1 325 . 11 1 1 A 29 29 GLU C C 29 177.057 175.192 1.865 1
1 326 . 11 1 1 A 29 29 GLU CA C 29 55.634 54.590 1.044 1
1 327 . 11 1 1 A 29 29 GLU CB C 29 32.461 33.557 -1.096 1
1 329 . 11 1 1 A 29 29 GLU N N 29 124.395 123.348 1.047 1
1 330 . 11 1 1 A 30 30 ALA H H 30 8.485 8.718 -0.233 1
1 331 . 11 1 1 A 30 30 ALA HA H 30 4.652 4.699 -0.047 1
1 335 . 11 1 1 A 30 30 ALA CA C 30 49.523 49.221 0.302 1
1 336 . 11 1 1 A 30 30 ALA CB C 30 17.328 20.152 -2.824 1
1 337 . 11 1 1 A 30 30 ALA N N 30 128.118 126.621 1.497 1
1 338 . 11 1 1 A 31 31 PRO HA H 31 4.440 4.454 -0.014 1
1 345 . 11 1 1 A 31 31 PRO C C 31 177.612 176.059 1.553 1
1 346 . 11 1 1 A 31 31 PRO CA C 31 61.605 65.375 -3.770 1
1 347 . 11 1 1 A 31 31 PRO CB C 31 31.616 32.076 -0.460 1
1 348 . 11 1 1 A 32 32 ILE H H 32 8.202 7.789 0.413 1
1 349 . 11 1 1 A 32 32 ILE HA H 32 3.503 4.767 -1.264 1
1 359 . 11 1 1 A 32 32 ILE C C 32 176.061 176.360 -0.299 1
1 360 . 11 1 1 A 32 32 ILE CA C 32 60.929 58.765 2.164 1
1 361 . 11 1 1 A 32 32 ILE CB C 32 37.219 41.296 -4.077 1
1 365 . 11 1 1 A 32 32 ILE N N 32 121.270 114.884 6.386 1
1 366 . 11 1 1 A 33 33 LYS H H 33 7.434 9.277 -1.843 1
1 367 . 11 1 1 A 33 33 LYS HA H 33 4.370 4.373 -0.003 1
1 376 . 11 1 1 A 33 33 LYS C C 33 176.960 177.267 -0.307 1
1 377 . 11 1 1 A 33 33 LYS CA C 33 56.553 59.216 -2.663 1
1 378 . 11 1 1 A 33 33 LYS CB C 33 35.043 32.103 2.940 1
1 382 . 11 1 1 A 33 33 LYS N N 33 126.133 124.434 1.699 1
1 383 . 11 1 1 A 34 34 TYR H H 34 7.974 8.514 -0.540 1
1 384 . 11 1 1 A 34 34 TYR HA H 34 4.551 4.194 0.357 1
1 389 . 11 1 1 A 34 34 TYR CA C 34 57.337 61.570 -4.233 1
1 390 . 11 1 1 A 34 34 TYR CB C 34 38.051 38.327 -0.276 1
1 393 . 11 1 1 A 34 34 TYR N N 34 121.936 120.394 1.542 1
1 394 . 11 1 1 A 35 35 TRP H H 35 7.912 8.122 -0.210 1
1 395 . 11 1 1 A 35 35 TRP HA H 35 4.687 4.448 0.239 1
1 403 . 11 1 1 A 35 35 TRP C C 35 171.862 175.973 -4.111 1
1 404 . 11 1 1 A 35 35 TRP CA C 35 56.720 60.207 -3.487 1
1 405 . 11 1 1 A 35 35 TRP CB C 35 28.638 30.981 -2.343 1
1 410 . 11 1 1 A 35 35 TRP N N 35 122.844 120.210 2.634 1
1 412 . 11 1 1 A 36 36 LEU H H 36 7.598 8.237 -0.639 1
1 413 . 11 1 1 A 36 36 LEU HA H 36 4.028 4.938 -0.910 1
1 423 . 11 1 1 A 36 36 LEU CA C 36 47.586 51.134 -3.548 1
1 424 . 11 1 1 A 36 36 LEU CB C 36 39.448 44.505 -5.057 1
1 428 . 11 1 1 A 36 36 LEU N N 36 117.117 118.400 -1.283 1
1 429 . 11 1 1 A 37 37 PRO HA H 37 4.340 4.542 -0.202 1
1 436 . 11 1 1 A 37 37 PRO C C 37 175.850 176.445 -0.595 1
1 437 . 11 1 1 A 37 37 PRO CA C 37 62.513 64.622 -2.109 1
1 438 . 11 1 1 A 37 37 PRO CB C 37 31.510 32.169 -0.659 1
1 439 . 11 1 1 A 38 38 HIS H H 38 7.704 7.831 -0.127 1
1 440 . 11 1 1 A 38 38 HIS HA H 38 4.366 5.025 -0.659 1
1 445 . 11 1 1 A 38 38 HIS C C 38 176.772 173.249 3.523 1
1 446 . 11 1 1 A 38 38 HIS CA C 38 56.604 54.028 2.576 1
1 447 . 11 1 1 A 38 38 HIS CB C 38 28.736 31.642 -2.906 1
1 450 . 11 1 1 A 38 38 HIS N N 38 111.845 115.872 -4.027 1
1 451 . 11 1 1 A 39 39 SER H H 39 6.451 8.756 -2.305 1
1 452 . 11 1 1 A 39 39 SER HA H 39 4.620 4.649 -0.029 1
1 455 . 11 1 1 A 39 39 SER C C 39 176.576 174.328 2.248 1
1 456 . 11 1 1 A 39 39 SER CA C 39 56.604 58.988 -2.384 1
1 457 . 11 1 1 A 39 39 SER CB C 39 65.579 63.510 2.069 1
1 458 . 11 1 1 A 39 39 SER N N 39 113.386 120.732 -7.346 1
1 459 . 11 1 1 A 40 40 GLY H H 40 8.420 8.562 -0.142 1
1 460 . 11 1 1 A 40 40 GLY HA2 H 40 4.346 4.224 0.122 1
1 461 . 11 1 1 A 40 40 GLY HA3 H 40 3.741 4.232 -0.491 1
1 462 . 11 1 1 A 40 40 GLY C C 40 176.997 173.152 3.845 1
1 463 . 11 1 1 A 40 40 GLY CA C 40 44.153 45.406 -1.253 1
1 464 . 11 1 1 A 40 40 GLY N N 40 113.160 111.663 1.497 1
1 465 . 11 1 1 A 41 41 ALA H H 41 7.187 8.385 -1.198 1
1 466 . 11 1 1 A 41 41 ALA HA H 41 4.397 5.175 -0.778 1
1 470 . 11 1 1 A 41 41 ALA C C 41 177.989 175.502 2.487 1
1 471 . 11 1 1 A 41 41 ALA CA C 41 51.533 50.706 0.827 1
1 472 . 11 1 1 A 41 41 ALA CB C 41 17.990 21.683 -3.693 1
1 473 . 11 1 1 A 41 41 ALA N N 41 123.786 127.312 -3.526 1
1 474 . 11 1 1 A 42 42 THR H H 42 8.358 9.091 -0.733 1
1 475 . 11 1 1 A 42 42 THR HA H 42 5.612 4.775 0.837 1
1 480 . 11 1 1 A 42 42 THR C C 42 175.505 173.256 2.249 1
1 481 . 11 1 1 A 42 42 THR CA C 42 58.816 60.682 -1.866 1
1 482 . 11 1 1 A 42 42 THR CB C 42 71.944 69.440 2.504 1
1 484 . 11 1 1 A 42 42 THR N N 42 108.609 118.906 -10.297 1
1 485 . 11 1 1 A 43 43 TRP H H 43 8.625 8.619 0.006 1
1 486 . 11 1 1 A 43 43 TRP HA H 43 5.338 4.973 0.365 1
1 494 . 11 1 1 A 43 43 TRP C C 43 177.892 174.979 2.913 1
1 495 . 11 1 1 A 43 43 TRP CA C 43 54.345 55.510 -1.165 1
1 496 . 11 1 1 A 43 43 TRP CB C 43 31.571 29.974 1.597 1
1 501 . 11 1 1 A 43 43 TRP N N 43 117.778 132.604 -14.826 1
1 503 . 11 1 1 A 44 44 SER H H 44 8.451 8.842 -0.391 1
1 504 . 11 1 1 A 44 44 SER HA H 44 4.498 5.012 -0.514 1
1 507 . 11 1 1 A 44 44 SER C C 44 175.850 174.080 1.770 1
1 508 . 11 1 1 A 44 44 SER CA C 44 57.363 57.658 -0.295 1
1 509 . 11 1 1 A 44 44 SER CB C 44 62.550 63.140 -0.590 1
1 510 . 11 1 1 A 44 44 SER N N 44 117.818 121.306 -3.488 1
1 511 . 11 1 1 A 45 45 GLY H H 45 7.513 7.945 -0.432 1
1 512 . 11 1 1 A 45 45 GLY HA2 H 45 4.344 4.222 0.122 1
1 513 . 11 1 1 A 45 45 GLY HA3 H 45 3.775 4.305 -0.530 1
1 514 . 11 1 1 A 45 45 GLY C C 45 172.858 173.631 -0.773 1
1 515 . 11 1 1 A 45 45 GLY CA C 45 44.312 46.164 -1.852 1
1 516 . 11 1 1 A 45 45 GLY N N 45 111.146 111.071 0.075 1
1 517 . 11 1 1 A 46 46 ARG H H 46 8.534 8.043 0.491 1
1 518 . 11 1 1 A 46 46 ARG HA H 46 4.632 4.218 0.414 1
1 525 . 11 1 1 A 46 46 ARG C C 46 177.983 176.131 1.852 1
1 526 . 11 1 1 A 46 46 ARG CA C 46 53.530 55.593 -2.063 1
1 527 . 11 1 1 A 46 46 ARG CB C 46 31.064 30.882 0.182 1
1 530 . 11 1 1 A 46 46 ARG N N 46 120.921 123.386 -2.465 1
1 531 . 11 1 1 A 47 47 GLY H H 47 8.864 8.533 0.331 1
1 532 . 11 1 1 A 47 47 GLY HA2 H 47 3.919 3.806 0.113 1
1 533 . 11 1 1 A 47 47 GLY HA3 H 47 4.336 3.816 0.520 1
1 534 . 11 1 1 A 47 47 GLY C C 47 177.440 172.845 4.595 1
1 535 . 11 1 1 A 47 47 GLY CA C 47 44.060 46.464 -2.404 1
1 536 . 11 1 1 A 47 47 GLY N N 47 111.872 111.838 0.034 1
1 537 . 11 1 1 A 48 48 LYS H H 48 7.752 8.253 -0.501 1
1 538 . 11 1 1 A 48 48 LYS HA H 48 4.274 4.657 -0.383 1
1 547 . 11 1 1 A 48 48 LYS C C 48 178.053 175.244 2.809 1
1 548 . 11 1 1 A 48 48 LYS CA C 48 55.302 55.043 0.259 1
1 549 . 11 1 1 A 48 48 LYS CB C 48 32.162 33.412 -1.250 1
1 550 . 11 1 1 A 48 48 LYS N N 48 125.971 126.247 -0.276 1
1 551 . 11 1 1 A 49 49 ILE H H 49 8.236 8.650 -0.414 1
1 552 . 11 1 1 A 49 49 ILE HA H 49 2.797 4.714 -1.917 1
1 562 . 11 1 1 A 49 49 ILE CA C 49 58.222 57.624 0.598 1
1 563 . 11 1 1 A 49 49 ILE CB C 49 37.578 39.724 -2.146 1
1 567 . 11 1 1 A 49 49 ILE N N 49 126.182 128.166 -1.984 1
1 568 . 11 1 1 A 50 50 PRO HA H 50 4.344 4.585 -0.241 1
1 571 . 11 1 1 A 50 50 PRO C C 50 178.547 176.606 1.941 1
1 572 . 11 1 1 A 50 50 PRO CA C 50 60.998 62.940 -1.942 1
1 573 . 11 1 1 A 50 50 PRO CB C 50 32.796 30.164 2.632 1
1 575 . 11 1 1 A 51 51 LYS H H 51 9.065 7.984 1.081 1
1 576 . 11 1 1 A 51 51 LYS HA H 51 4.870 4.113 0.757 1
1 581 . 11 1 1 A 51 51 LYS CA C 51 59.788 60.947 -1.159 1
1 582 . 11 1 1 A 51 51 LYS CB C 51 28.838 30.706 -1.868 1
1 583 . 11 1 1 A 51 51 LYS N N 51 125.299 122.499 2.800 1
1 584 . 11 1 1 A 52 52 PRO HA H 52 4.391 4.429 -0.038 1
1 591 . 11 1 1 A 52 52 PRO C C 52 181.184 178.982 2.202 1
1 592 . 11 1 1 A 52 52 PRO CA C 52 64.975 65.489 -0.514 1
1 593 . 11 1 1 A 52 52 PRO CB C 52 30.072 31.387 -1.315 1
1 595 . 11 1 1 A 53 53 PHE H H 53 7.144 7.723 -0.579 1
1 596 . 11 1 1 A 53 53 PHE HA H 53 3.875 4.088 -0.213 1
1 601 . 11 1 1 A 53 53 PHE C C 53 177.838 177.782 0.056 1
1 602 . 11 1 1 A 53 53 PHE CA C 53 60.265 61.584 -1.319 1
1 603 . 11 1 1 A 53 53 PHE CB C 53 37.091 39.324 -2.233 1
1 606 . 11 1 1 A 53 53 PHE N N 53 116.868 118.696 -1.828 1
1 607 . 11 1 1 A 54 54 GLU H H 54 7.788 8.461 -0.673 1
1 608 . 11 1 1 A 54 54 GLU HA H 54 3.997 3.867 0.130 1
1 613 . 11 1 1 A 54 54 GLU C C 54 180.998 178.559 2.439 1
1 614 . 11 1 1 A 54 54 GLU CA C 54 58.691 59.210 -0.519 1
1 615 . 11 1 1 A 54 54 GLU CB C 54 29.328 29.494 -0.166 1
1 617 . 11 1 1 A 54 54 GLU N N 54 120.523 119.201 1.322 1
1 618 . 11 1 1 A 55 55 ALA H H 55 8.379 8.008 0.371 1
1 619 . 11 1 1 A 55 55 ALA HA H 55 4.086 4.023 0.063 1
1 623 . 11 1 1 A 55 55 ALA C C 55 180.899 179.138 1.761 1
1 624 . 11 1 1 A 55 55 ALA CA C 55 53.119 55.104 -1.985 1
1 625 . 11 1 1 A 55 55 ALA CB C 55 17.854 18.142 -0.288 1
1 626 . 11 1 1 A 55 55 ALA N N 55 119.006 121.184 -2.178 1
1 627 . 11 1 1 A 56 56 TRP H H 56 7.575 7.513 0.062 1
1 628 . 11 1 1 A 56 56 TRP HA H 56 4.616 4.296 0.320 1
1 634 . 11 1 1 A 56 56 TRP C C 56 179.334 178.027 1.307 1
1 635 . 11 1 1 A 56 56 TRP CA C 56 59.039 61.030 -1.991 1
1 636 . 11 1 1 A 56 56 TRP CB C 56 27.791 29.587 -1.796 1
1 639 . 11 1 1 A 56 56 TRP N N 56 119.770 120.069 -0.299 1
1 641 . 11 1 1 A 57 57 ILE H H 57 7.291 8.136 -0.845 1
1 642 . 11 1 1 A 57 57 ILE HA H 57 2.517 3.961 -1.444 1
1 651 . 11 1 1 A 57 57 ILE C C 57 177.768 177.265 0.503 1
1 652 . 11 1 1 A 57 57 ILE CA C 57 62.722 63.244 -0.522 1
1 653 . 11 1 1 A 57 57 ILE CB C 57 36.507 37.083 -0.576 1
1 657 . 11 1 1 A 57 57 ILE N N 57 117.374 118.137 -0.763 1
1 658 . 11 1 1 A 58 58 GLY H H 58 6.565 7.656 -1.091 1
1 659 . 11 1 1 A 58 58 GLY HA2 H 58 3.985 3.890 0.095 1
1 660 . 11 1 1 A 58 58 GLY HA3 H 58 4.069 3.975 0.094 1
1 661 . 11 1 1 A 58 58 GLY C C 58 178.787 175.637 3.150 1
1 662 . 11 1 1 A 58 58 GLY CA C 58 43.958 45.641 -1.683 1
1 663 . 11 1 1 A 58 58 GLY N N 58 110.422 110.066 0.356 1
1 664 . 11 1 1 A 59 59 THR H H 59 7.629 7.868 -0.239 1
1 665 . 11 1 1 A 59 59 THR HA H 59 4.554 3.826 0.728 1
1 670 . 11 1 1 A 59 59 THR CA C 59 60.466 65.381 -4.915 1
1 671 . 11 1 1 A 59 59 THR CB C 59 71.728 68.253 3.475 1
1 672 . 11 1 1 A 59 59 THR N N 59 111.600 117.478 -5.878 1
1 673 . 11 1 1 A 60 60 ALA H H 60 9.010 7.272 1.738 1
1 674 . 11 1 1 A 60 60 ALA HA H 60 4.917 4.494 0.423 1
1 678 . 11 1 1 A 60 60 ALA C C 60 182.933 178.460 4.473 1
1 679 . 11 1 1 A 60 60 ALA CA C 60 54.222 52.979 1.243 1
1 680 . 11 1 1 A 60 60 ALA CB C 60 18.122 20.857 -2.735 1
1 681 . 11 1 1 A 60 60 ALA N N 60 125.890 119.757 6.133 1
1 682 . 11 1 1 A 61 61 ALA H H 61 8.368 7.943 0.425 1
1 683 . 11 1 1 A 61 61 ALA HA H 61 4.256 4.094 0.162 1
1 687 . 11 1 1 A 61 61 ALA C C 61 182.536 179.257 3.279 1
1 688 . 11 1 1 A 61 61 ALA CA C 61 54.071 55.002 -0.931 1
1 689 . 11 1 1 A 61 61 ALA CB C 61 18.122 18.203 -0.081 1
1 690 . 11 1 1 A 61 61 ALA N N 61 121.272 120.598 0.674 1
1 691 . 11 1 1 A 62 62 TYR H H 62 7.310 7.941 -0.631 1
1 692 . 11 1 1 A 62 62 TYR HA H 62 3.381 4.094 -0.713 1
1 697 . 11 1 1 A 62 62 TYR C C 62 177.889 177.333 0.556 1
1 698 . 11 1 1 A 62 62 TYR CA C 62 60.203 61.770 -1.567 1
1 699 . 11 1 1 A 62 62 TYR CB C 62 36.771 38.552 -1.781 1
1 702 . 11 1 1 A 62 62 TYR N N 62 122.066 120.373 1.693 1
1 703 . 11 1 1 A 63 63 THR H H 63 8.303 8.354 -0.051 1
1 704 . 11 1 1 A 63 63 THR HA H 63 4.405 3.774 0.631 1
1 709 . 11 1 1 A 63 63 THR C C 63 178.200 177.245 0.955 1
1 710 . 11 1 1 A 63 63 THR CA C 63 65.547 65.627 -0.080 1
1 711 . 11 1 1 A 63 63 THR CB C 63 67.470 68.704 -1.234 1
1 712 . 11 1 1 A 63 63 THR N N 63 117.473 114.231 3.242 1
1 713 . 11 1 1 A 64 64 ALA H H 64 7.931 7.628 0.303 1
1 714 . 11 1 1 A 64 64 ALA HA H 64 4.220 4.028 0.192 1
1 718 . 11 1 1 A 64 64 ALA C C 64 181.966 179.301 2.665 1
1 719 . 11 1 1 A 64 64 ALA CA C 64 53.966 54.869 -0.903 1
1 720 . 11 1 1 A 64 64 ALA CB C 64 17.432 18.384 -0.952 1
1 721 . 11 1 1 A 64 64 ALA N N 64 123.649 122.907 0.742 1
1 722 . 11 1 1 A 65 65 TRP H H 65 8.049 8.393 -0.344 1
1 723 . 11 1 1 A 65 65 TRP HA H 65 4.294 4.019 0.275 1
1 729 . 11 1 1 A 65 65 TRP C C 65 181.255 178.355 2.900 1
1 730 . 11 1 1 A 65 65 TRP CA C 65 61.458 61.416 0.042 1
1 731 . 11 1 1 A 65 65 TRP CB C 65 27.748 29.511 -1.763 1
1 734 . 11 1 1 A 65 65 TRP N N 65 121.372 120.365 1.007 1
1 736 . 11 1 1 A 66 66 LYS H H 66 9.624 8.423 1.201 1
1 737 . 11 1 1 A 66 66 LYS HA H 66 4.352 4.120 0.232 1
1 745 . 11 1 1 A 66 66 LYS C C 66 180.615 179.047 1.568 1
1 746 . 11 1 1 A 66 66 LYS CA C 66 56.030 59.595 -3.565 1
1 747 . 11 1 1 A 66 66 LYS CB C 66 30.842 31.926 -1.084 1
1 751 . 11 1 1 A 66 66 LYS N N 66 123.631 118.122 5.509 1
1 752 . 11 1 1 A 67 67 ALA H H 67 8.822 8.044 0.778 1
1 753 . 11 1 1 A 67 67 ALA HA H 67 4.027 3.993 0.034 1
1 757 . 11 1 1 A 67 67 ALA C C 67 180.899 179.867 1.032 1
1 758 . 11 1 1 A 67 67 ALA CA C 67 53.759 54.858 -1.099 1
1 759 . 11 1 1 A 67 67 ALA CB C 67 17.534 18.233 -0.699 1
1 760 . 11 1 1 A 67 67 ALA N N 67 120.803 122.165 -1.362 1
1 761 . 11 1 1 A 68 68 LYS H H 68 6.888 7.218 -0.330 1
1 762 . 11 1 1 A 68 68 LYS HA H 68 4.233 4.180 0.053 1
1 771 . 11 1 1 A 68 68 LYS C C 68 175.989 176.496 -0.507 1
1 772 . 11 1 1 A 68 68 LYS CA C 68 54.355 57.560 -3.205 1
1 773 . 11 1 1 A 68 68 LYS CB C 68 33.056 32.776 0.280 1
1 777 . 11 1 1 A 68 68 LYS N N 68 113.741 114.990 -1.249 1
1 778 . 11 1 1 A 69 69 HIS H H 69 7.111 7.860 -0.749 1
1 779 . 11 1 1 A 69 69 HIS HA H 69 4.768 4.941 -0.173 1
1 784 . 11 1 1 A 69 69 HIS CA C 69 52.654 53.710 -1.056 1
1 785 . 11 1 1 A 69 69 HIS CB C 69 27.381 32.908 -5.527 1
1 788 . 11 1 1 A 69 69 HIS N N 69 120.596 115.910 4.686 1
1 789 . 11 1 1 A 70 70 PRO HA H 70 4.230 4.345 -0.115 1
1 796 . 11 1 1 A 70 70 PRO C C 70 179.651 176.667 2.984 1
1 797 . 11 1 1 A 70 70 PRO CA C 70 64.184 66.054 -1.870 1
1 798 . 11 1 1 A 70 70 PRO CB C 70 30.854 31.500 -0.646 1
1 800 . 11 1 1 A 71 71 ASP H H 71 8.619 8.070 0.549 1
1 801 . 11 1 1 A 71 71 ASP HA H 71 4.917 4.945 -0.028 1
1 804 . 11 1 1 A 71 71 ASP C C 71 177.057 176.139 0.918 1
1 805 . 11 1 1 A 71 71 ASP CA C 71 52.975 52.535 0.440 1
1 806 . 11 1 1 A 71 71 ASP CB C 71 40.475 40.701 -0.226 1
1 807 . 11 1 1 A 71 71 ASP N N 71 116.294 116.435 -0.141 1
1 808 . 11 1 1 A 72 72 GLU H H 72 7.389 8.808 -1.419 1
1 809 . 11 1 1 A 72 72 GLU HA H 72 4.920 4.429 0.491 1
1 814 . 11 1 1 A 72 72 GLU C C 72 176.986 176.777 0.209 1
1 815 . 11 1 1 A 72 72 GLU CA C 72 54.236 58.651 -4.415 1
1 816 . 11 1 1 A 72 72 GLU CB C 72 33.622 31.007 2.615 1
1 818 . 11 1 1 A 72 72 GLU N N 72 120.136 126.217 -6.081 1
1 819 . 11 1 1 A 73 73 LYS H H 73 9.155 7.727 1.428 1
1 820 . 11 1 1 A 73 73 LYS HA H 73 4.245 4.359 -0.114 1
1 829 . 11 1 1 A 73 73 LYS C C 73 176.680 176.487 0.193 1
1 830 . 11 1 1 A 73 73 LYS CA C 73 57.999 55.683 2.316 1
1 831 . 11 1 1 A 73 73 LYS CB C 73 33.418 32.810 0.608 1
1 835 . 11 1 1 A 73 73 LYS N N 73 121.554 119.987 1.567 1
1 836 . 11 1 1 A 74 74 PHE H H 74 7.171 8.933 -1.762 1
1 837 . 11 1 1 A 74 74 PHE HA H 74 4.600 4.592 0.008 1
1 843 . 11 1 1 A 74 74 PHE CA C 74 55.159 57.138 -1.979 1
1 844 . 11 1 1 A 74 74 PHE CB C 74 40.451 40.398 0.053 1
1 848 . 11 1 1 A 74 74 PHE N N 74 111.944 127.029 -15.085 1
1 849 . 11 1 1 A 75 75 PRO HA H 75 4.640 4.168 0.472 1
1 856 . 11 1 1 A 75 75 PRO C C 75 176.914 174.896 2.018 1
1 857 . 11 1 1 A 75 75 PRO CA C 75 62.713 61.986 0.727 1
1 858 . 11 1 1 A 75 75 PRO CB C 75 30.073 28.949 1.124 1
1 860 . 11 1 1 A 76 76 ALA H H 76 9.039 8.575 0.464 1
1 861 . 11 1 1 A 76 76 ALA HA H 76 4.870 5.205 -0.335 1
1 865 . 11 1 1 A 76 76 ALA C C 76 179.974 176.694 3.280 1
1 866 . 11 1 1 A 76 76 ALA CA C 76 50.923 50.559 0.364 1
1 867 . 11 1 1 A 76 76 ALA CB C 76 18.130 21.011 -2.881 1
1 868 . 11 1 1 A 76 76 ALA N N 76 128.387 125.338 3.049 1
1 869 . 11 1 1 A 77 77 PHE H H 77 8.117 8.921 -0.804 1
1 870 . 11 1 1 A 77 77 PHE HA H 77 4.915 5.189 -0.274 1
1 875 . 11 1 1 A 77 77 PHE CA C 77 53.371 55.237 -1.866 1
1 876 . 11 1 1 A 77 77 PHE CB C 77 36.523 40.627 -4.104 1
1 878 . 11 1 1 A 77 77 PHE N N 77 125.115 119.968 5.147 1
1 879 . 11 1 1 A 78 78 PRO HA H 78 4.245 4.843 -0.598 1
1 886 . 11 1 1 A 78 78 PRO C C 78 176.487 176.073 0.414 1
1 887 . 11 1 1 A 78 78 PRO CA C 78 62.480 62.339 0.141 1
1 888 . 11 1 1 A 78 78 PRO CB C 78 30.324 31.747 -1.423 1
1 13 . 12 1 1 A 2 2 ASN H H 2 9.438 9.327 0.111 1
1 14 . 12 1 1 A 2 2 ASN HA H 2 5.912 4.544 1.368 1
1 19 . 12 1 1 A 2 2 ASN C C 2 175.436 176.289 -0.853 1
1 20 . 12 1 1 A 2 2 ASN CA C 2 54.299 56.853 -2.554 1
1 21 . 12 1 1 A 2 2 ASN CB C 2 38.092 38.485 -0.393 1
1 22 . 12 1 1 A 2 2 ASN N N 2 121.344 120.127 1.217 1
1 24 . 12 1 1 A 3 3 VAL H H 3 8.328 7.646 0.682 1
1 25 . 12 1 1 A 3 3 VAL HA H 3 4.161 4.378 -0.217 1
1 30 . 12 1 1 A 3 3 VAL C C 3 178.200 175.311 2.889 1
1 31 . 12 1 1 A 3 3 VAL CA C 3 61.577 63.166 -1.589 1
1 32 . 12 1 1 A 3 3 VAL CB C 3 32.162 32.103 0.059 1
1 34 . 12 1 1 A 3 3 VAL N N 3 122.195 119.160 3.035 1
1 35 . 12 1 1 A 4 4 LYS H H 4 8.474 9.046 -0.572 1
1 36 . 12 1 1 A 4 4 LYS HA H 4 4.283 4.896 -0.613 1
1 44 . 12 1 1 A 4 4 LYS C C 4 177.509 175.988 1.521 1
1 45 . 12 1 1 A 4 4 LYS CA C 4 55.197 54.780 0.417 1
1 46 . 12 1 1 A 4 4 LYS CB C 4 30.194 36.098 -5.904 1
1 47 . 12 1 1 A 4 4 LYS N N 4 122.239 128.902 -6.663 1
1 48 . 12 1 1 A 5 5 GLN H H 5 8.507 8.581 -0.074 1
1 49 . 12 1 1 A 5 5 GLN HA H 5 4.383 4.452 -0.069 1
1 56 . 12 1 1 A 5 5 GLN C C 5 177.440 176.538 0.902 1
1 57 . 12 1 1 A 5 5 GLN CA C 5 55.081 55.618 -0.537 1
1 58 . 12 1 1 A 5 5 GLN CB C 5 29.505 29.979 -0.474 1
1 60 . 12 1 1 A 5 5 GLN N N 5 123.847 122.384 1.463 1
1 62 . 12 1 1 A 6 6 LYS H H 6 8.407 8.576 -0.169 1
1 63 . 12 1 1 A 6 6 LYS HA H 6 4.392 4.311 0.081 1
1 72 . 12 1 1 A 6 6 LYS C C 6 178.373 176.282 2.091 1
1 73 . 12 1 1 A 6 6 LYS CA C 6 61.491 56.944 4.547 1
1 74 . 12 1 1 A 6 6 LYS CB C 6 31.993 32.644 -0.651 1
1 78 . 12 1 1 A 6 6 LYS N N 6 123.099 121.510 1.589 1
1 79 . 12 1 1 A 7 7 SER H H 7 8.516 8.956 -0.440 1
1 80 . 12 1 1 A 7 7 SER HA H 7 4.483 4.978 -0.495 1
1 83 . 12 1 1 A 7 7 SER C C 7 175.401 173.590 1.811 1
1 84 . 12 1 1 A 7 7 SER CA C 7 57.370 57.980 -0.610 1
1 85 . 12 1 1 A 7 7 SER CB C 7 62.979 63.755 -0.776 1
1 86 . 12 1 1 A 7 7 SER N N 7 117.184 121.049 -3.865 1
1 87 . 12 1 1 A 8 8 GLU H H 8 8.548 9.262 -0.714 1
1 88 . 12 1 1 A 8 8 GLU HA H 8 4.397 5.034 -0.637 1
1 93 . 12 1 1 A 8 8 GLU C C 8 177.785 175.278 2.507 1
1 94 . 12 1 1 A 8 8 GLU CA C 8 55.856 55.398 0.458 1
1 95 . 12 1 1 A 8 8 GLU CB C 8 29.726 30.223 -0.497 1
1 97 . 12 1 1 A 8 8 GLU N N 8 123.697 124.918 -1.221 1
1 98 . 12 1 1 A 9 9 ILE H H 9 8.279 8.644 -0.365 1
1 99 . 12 1 1 A 9 9 ILE HA H 9 4.276 4.672 -0.396 1
1 109 . 12 1 1 A 9 9 ILE C C 9 177.958 176.355 1.603 1
1 110 . 12 1 1 A 9 9 ILE CA C 9 60.538 60.178 0.360 1
1 111 . 12 1 1 A 9 9 ILE CB C 9 37.725 40.260 -2.535 1
1 115 . 12 1 1 A 9 9 ILE N N 9 122.616 125.359 -2.743 1
1 116 . 12 1 1 A 10 10 THR H H 10 8.255 8.687 -0.432 1
1 117 . 12 1 1 A 10 10 THR HA H 10 4.592 4.409 0.183 1
1 122 . 12 1 1 A 10 10 THR C C 10 174.993 173.997 0.996 1
1 123 . 12 1 1 A 10 10 THR CA C 10 61.010 62.496 -1.486 1
1 124 . 12 1 1 A 10 10 THR CB C 10 68.505 69.626 -1.121 1
1 126 . 12 1 1 A 10 10 THR N N 10 119.401 121.205 -1.804 1
1 127 . 12 1 1 A 11 11 ALA H H 11 8.308 8.267 0.041 1
1 128 . 12 1 1 A 11 11 ALA HA H 11 4.400 4.460 -0.060 1
1 132 . 12 1 1 A 11 11 ALA C C 11 178.822 176.743 2.079 1
1 133 . 12 1 1 A 11 11 ALA CA C 11 51.438 52.757 -1.319 1
1 134 . 12 1 1 A 11 11 ALA CB C 11 18.303 19.050 -0.747 1
1 135 . 12 1 1 A 11 11 ALA N N 11 127.285 126.939 0.346 1
1 136 . 12 1 1 A 12 12 LEU H H 12 8.228 8.773 -0.545 1
1 137 . 12 1 1 A 12 12 LEU HA H 12 4.457 5.028 -0.571 1
1 147 . 12 1 1 A 12 12 LEU C C 12 178.787 176.175 2.612 1
1 148 . 12 1 1 A 12 12 LEU CA C 12 54.261 53.255 1.006 1
1 149 . 12 1 1 A 12 12 LEU CB C 12 41.457 45.011 -3.554 1
1 152 . 12 1 1 A 12 12 LEU N N 12 122.431 125.309 -2.878 1
1 153 . 12 1 1 A 13 13 VAL H H 13 8.171 8.432 -0.261 1
1 154 . 12 1 1 A 13 13 VAL HA H 13 4.164 4.046 0.118 1
1 159 . 12 1 1 A 13 13 VAL C C 13 177.412 175.561 1.851 1
1 160 . 12 1 1 A 13 13 VAL CA C 13 61.489 62.454 -0.965 1
1 161 . 12 1 1 A 13 13 VAL CB C 13 31.791 32.289 -0.498 1
1 163 . 12 1 1 A 13 13 VAL N N 13 122.619 122.578 0.041 1
1 164 . 12 1 1 A 14 14 LYS H H 14 8.459 7.885 0.574 1
1 165 . 12 1 1 A 14 14 LYS HA H 14 4.375 4.319 0.056 1
1 174 . 12 1 1 A 14 14 LYS C C 14 177.509 176.661 0.848 1
1 175 . 12 1 1 A 14 14 LYS CA C 14 55.532 56.403 -0.871 1
1 176 . 12 1 1 A 14 14 LYS CB C 14 32.114 33.112 -0.998 1
1 180 . 12 1 1 A 14 14 LYS N N 14 125.566 124.830 0.736 1
1 181 . 12 1 1 A 15 15 GLU H H 15 8.434 8.679 -0.245 1
1 182 . 12 1 1 A 15 15 GLU HA H 15 4.380 4.604 -0.224 1
1 187 . 12 1 1 A 15 15 GLU C C 15 177.440 175.570 1.870 1
1 188 . 12 1 1 A 15 15 GLU CA C 15 55.302 56.436 -1.134 1
1 189 . 12 1 1 A 15 15 GLU CB C 15 29.616 30.078 -0.462 1
1 190 . 12 1 1 A 15 15 GLU N N 15 123.950 125.236 -1.286 1
1 191 . 12 1 1 A 16 16 VAL H H 16 8.326 8.344 -0.018 1
1 192 . 12 1 1 A 16 16 VAL HA H 16 4.205 4.686 -0.481 1
1 197 . 12 1 1 A 16 16 VAL CA C 16 61.613 60.700 0.913 1
1 198 . 12 1 1 A 16 16 VAL CB C 16 32.231 35.370 -3.139 1
1 199 . 12 1 1 A 16 16 VAL N N 16 123.175 124.205 -1.030 1
1 200 . 12 1 1 A 17 17 THR H H 17 8.171 8.943 -0.772 1
1 201 . 12 1 1 A 17 17 THR HA H 17 4.470 4.203 0.267 1
1 206 . 12 1 1 A 17 17 THR CA C 17 57.893 67.419 -9.526 1
1 207 . 12 1 1 A 17 17 THR CB C 17 70.047 67.311 2.736 1
1 208 . 12 1 1 A 17 17 THR N N 17 119.533 120.542 -1.009 1
1 209 . 12 1 1 A 19 19 PRO HA H 19 4.355 4.774 -0.419 1
1 212 . 12 1 1 A 19 19 PRO C C 19 177.057 175.360 1.697 1
1 213 . 12 1 1 A 19 19 PRO CA C 19 61.531 62.461 -0.930 1
1 214 . 12 1 1 A 19 19 PRO CB C 19 31.869 29.375 2.494 1
1 215 . 12 1 1 A 20 20 ARG H H 20 8.435 8.668 -0.233 1
1 216 . 12 1 1 A 20 20 ARG HA H 20 4.391 4.712 -0.321 1
1 223 . 12 1 1 A 20 20 ARG C C 20 177.509 173.744 3.765 1
1 224 . 12 1 1 A 20 20 ARG CA C 20 55.300 55.353 -0.053 1
1 225 . 12 1 1 A 20 20 ARG CB C 20 32.492 33.193 -0.701 1
1 228 . 12 1 1 A 20 20 ARG N N 20 126.489 124.064 2.425 1
1 229 . 12 1 1 A 21 21 LYS H H 21 8.426 8.962 -0.536 1
1 230 . 12 1 1 A 21 21 LYS HA H 21 4.397 4.885 -0.488 1
1 239 . 12 1 1 A 21 21 LYS C C 21 177.412 175.353 2.059 1
1 240 . 12 1 1 A 21 21 LYS CA C 21 55.296 54.780 0.516 1
1 241 . 12 1 1 A 21 21 LYS CB C 21 29.837 34.428 -4.591 1
1 244 . 12 1 1 A 21 21 LYS N N 21 123.626 127.311 -3.685 1
1 245 . 12 1 1 A 22 22 ALA H H 22 8.378 8.835 -0.457 1
1 246 . 12 1 1 A 22 22 ALA HA H 22 4.628 4.773 -0.145 1
1 250 . 12 1 1 A 22 22 ALA CA C 22 49.376 50.321 -0.945 1
1 251 . 12 1 1 A 22 22 ALA CB C 22 17.501 19.480 -1.979 1
1 252 . 12 1 1 A 22 22 ALA N N 22 127.197 128.241 -1.044 1
1 253 . 12 1 1 A 23 23 PRO HA H 23 4.219 4.844 -0.625 1
1 257 . 12 1 1 A 23 23 PRO C C 23 177.440 176.199 1.241 1
1 258 . 12 1 1 A 23 23 PRO CA C 23 61.724 62.176 -0.452 1
1 259 . 12 1 1 A 23 23 PRO CB C 23 32.162 29.238 2.924 1
1 260 . 12 1 1 A 24 24 SER H H 24 8.425 8.193 0.232 1
1 261 . 12 1 1 A 24 24 SER HA H 24 4.344 4.574 -0.230 1
1 264 . 12 1 1 A 24 24 SER C C 24 175.610 174.173 1.437 1
1 265 . 12 1 1 A 24 24 SER CA C 24 58.845 57.279 1.566 1
1 266 . 12 1 1 A 24 24 SER CB C 24 68.920 64.406 4.514 1
1 267 . 12 1 1 A 24 24 SER N N 24 122.433 114.783 7.650 1
1 268 . 12 1 1 A 25 25 LYS H H 25 8.323 8.526 -0.203 1
1 269 . 12 1 1 A 25 25 LYS HA H 25 4.137 4.451 -0.314 1
1 276 . 12 1 1 A 25 25 LYS C C 25 177.462 175.038 2.424 1
1 277 . 12 1 1 A 25 25 LYS CA C 25 55.504 55.618 -0.114 1
1 278 . 12 1 1 A 25 25 LYS CB C 25 32.155 31.377 0.778 1
1 281 . 12 1 1 A 25 25 LYS N N 25 121.718 124.078 -2.360 1
1 282 . 12 1 1 A 26 26 ALA H H 26 8.333 8.427 -0.094 1
1 283 . 12 1 1 A 26 26 ALA HA H 26 4.334 5.527 -1.193 1
1 287 . 12 1 1 A 26 26 ALA CA C 26 51.512 50.608 0.904 1
1 288 . 12 1 1 A 26 26 ALA CB C 26 18.486 20.795 -2.309 1
1 289 . 12 1 1 A 26 26 ALA N N 26 125.817 128.446 -2.629 1
1 290 . 12 1 1 A 27 27 LYS H H 27 8.347 8.968 -0.621 1
1 291 . 12 1 1 A 27 27 LYS HA H 27 4.354 5.006 -0.652 1
1 300 . 12 1 1 A 27 27 LYS C C 27 177.923 175.253 2.670 1
1 301 . 12 1 1 A 27 27 LYS CA C 27 55.413 54.437 0.976 1
1 302 . 12 1 1 A 27 27 LYS CB C 27 32.162 35.048 -2.886 1
1 306 . 12 1 1 A 27 27 LYS N N 27 121.810 122.708 -0.898 1
1 307 . 12 1 1 A 28 28 ARG H H 28 8.440 8.460 -0.020 1
1 308 . 12 1 1 A 28 28 ARG HA H 28 4.672 5.001 -0.329 1
1 315 . 12 1 1 A 28 28 ARG C C 28 177.474 175.529 1.945 1
1 316 . 12 1 1 A 28 28 ARG CA C 28 55.140 55.230 -0.090 1
1 317 . 12 1 1 A 28 28 ARG CB C 28 28.508 31.066 -2.558 1
1 318 . 12 1 1 A 28 28 ARG N N 28 122.679 124.210 -1.531 1
1 319 . 12 1 1 A 29 29 GLU H H 29 8.470 8.350 0.120 1
1 320 . 12 1 1 A 29 29 GLU HA H 29 4.391 5.070 -0.679 1
1 325 . 12 1 1 A 29 29 GLU C C 29 177.057 175.045 2.012 1
1 326 . 12 1 1 A 29 29 GLU CA C 29 55.634 54.576 1.058 1
1 327 . 12 1 1 A 29 29 GLU CB C 29 32.461 33.801 -1.340 1
1 329 . 12 1 1 A 29 29 GLU N N 29 124.395 123.323 1.072 1
1 330 . 12 1 1 A 30 30 ALA H H 30 8.485 8.604 -0.119 1
1 331 . 12 1 1 A 30 30 ALA HA H 30 4.652 4.729 -0.077 1
1 335 . 12 1 1 A 30 30 ALA CA C 30 49.523 49.115 0.408 1
1 336 . 12 1 1 A 30 30 ALA CB C 30 17.328 20.343 -3.015 1
1 337 . 12 1 1 A 30 30 ALA N N 30 128.118 126.628 1.490 1
1 338 . 12 1 1 A 31 31 PRO HA H 31 4.440 4.404 0.036 1
1 345 . 12 1 1 A 31 31 PRO C C 31 177.612 176.109 1.503 1
1 346 . 12 1 1 A 31 31 PRO CA C 31 61.605 65.243 -3.638 1
1 347 . 12 1 1 A 31 31 PRO CB C 31 31.616 32.114 -0.498 1
1 348 . 12 1 1 A 32 32 ILE H H 32 8.202 7.728 0.474 1
1 349 . 12 1 1 A 32 32 ILE HA H 32 3.503 4.706 -1.203 1
1 359 . 12 1 1 A 32 32 ILE C C 32 176.061 176.366 -0.305 1
1 360 . 12 1 1 A 32 32 ILE CA C 32 60.929 58.665 2.264 1
1 361 . 12 1 1 A 32 32 ILE CB C 32 37.219 41.312 -4.093 1
1 365 . 12 1 1 A 32 32 ILE N N 32 121.270 114.989 6.281 1
1 366 . 12 1 1 A 33 33 LYS H H 33 7.434 9.187 -1.753 1
1 367 . 12 1 1 A 33 33 LYS HA H 33 4.370 4.369 0.001 1
1 376 . 12 1 1 A 33 33 LYS C C 33 176.960 177.242 -0.282 1
1 377 . 12 1 1 A 33 33 LYS CA C 33 56.553 59.180 -2.627 1
1 378 . 12 1 1 A 33 33 LYS CB C 33 35.043 32.470 2.573 1
1 382 . 12 1 1 A 33 33 LYS N N 33 126.133 124.399 1.734 1
1 383 . 12 1 1 A 34 34 TYR H H 34 7.974 8.476 -0.502 1
1 384 . 12 1 1 A 34 34 TYR HA H 34 4.551 4.219 0.332 1
1 389 . 12 1 1 A 34 34 TYR CA C 34 57.337 61.540 -4.203 1
1 390 . 12 1 1 A 34 34 TYR CB C 34 38.051 38.411 -0.360 1
1 393 . 12 1 1 A 34 34 TYR N N 34 121.936 120.548 1.388 1
1 394 . 12 1 1 A 35 35 TRP H H 35 7.912 8.021 -0.109 1
1 395 . 12 1 1 A 35 35 TRP HA H 35 4.687 4.502 0.185 1
1 403 . 12 1 1 A 35 35 TRP C C 35 171.862 176.364 -4.502 1
1 404 . 12 1 1 A 35 35 TRP CA C 35 56.720 59.965 -3.245 1
1 405 . 12 1 1 A 35 35 TRP CB C 35 28.638 30.969 -2.331 1
1 410 . 12 1 1 A 35 35 TRP N N 35 122.844 118.897 3.947 1
1 412 . 12 1 1 A 36 36 LEU H H 36 7.598 8.097 -0.499 1
1 413 . 12 1 1 A 36 36 LEU HA H 36 4.028 4.895 -0.867 1
1 423 . 12 1 1 A 36 36 LEU CA C 36 47.586 51.095 -3.509 1
1 424 . 12 1 1 A 36 36 LEU CB C 36 39.448 44.458 -5.010 1
1 428 . 12 1 1 A 36 36 LEU N N 36 117.117 117.987 -0.870 1
1 429 . 12 1 1 A 37 37 PRO HA H 37 4.340 4.565 -0.225 1
1 436 . 12 1 1 A 37 37 PRO C C 37 175.850 176.471 -0.621 1
1 437 . 12 1 1 A 37 37 PRO CA C 37 62.513 64.700 -2.187 1
1 438 . 12 1 1 A 37 37 PRO CB C 37 31.510 32.148 -0.638 1
1 439 . 12 1 1 A 38 38 HIS H H 38 7.704 7.958 -0.254 1
1 440 . 12 1 1 A 38 38 HIS HA H 38 4.366 5.035 -0.669 1
1 445 . 12 1 1 A 38 38 HIS C C 38 176.772 173.680 3.092 1
1 446 . 12 1 1 A 38 38 HIS CA C 38 56.604 54.581 2.023 1
1 447 . 12 1 1 A 38 38 HIS CB C 38 28.736 31.483 -2.747 1
1 450 . 12 1 1 A 38 38 HIS N N 38 111.845 116.184 -4.339 1
1 451 . 12 1 1 A 39 39 SER H H 39 6.451 8.842 -2.391 1
1 452 . 12 1 1 A 39 39 SER HA H 39 4.620 4.695 -0.075 1
1 455 . 12 1 1 A 39 39 SER C C 39 176.576 174.079 2.497 1
1 456 . 12 1 1 A 39 39 SER CA C 39 56.604 58.814 -2.210 1
1 457 . 12 1 1 A 39 39 SER CB C 39 65.579 63.577 2.002 1
1 458 . 12 1 1 A 39 39 SER N N 39 113.386 121.023 -7.637 1
1 459 . 12 1 1 A 40 40 GLY H H 40 8.420 8.559 -0.139 1
1 460 . 12 1 1 A 40 40 GLY HA2 H 40 4.346 4.215 0.131 1
1 461 . 12 1 1 A 40 40 GLY HA3 H 40 3.741 4.234 -0.493 1
1 462 . 12 1 1 A 40 40 GLY C C 40 176.997 173.080 3.917 1
1 463 . 12 1 1 A 40 40 GLY CA C 40 44.153 45.566 -1.413 1
1 464 . 12 1 1 A 40 40 GLY N N 40 113.160 111.480 1.680 1
1 465 . 12 1 1 A 41 41 ALA H H 41 7.187 8.880 -1.693 1
1 466 . 12 1 1 A 41 41 ALA HA H 41 4.397 5.152 -0.755 1
1 470 . 12 1 1 A 41 41 ALA C C 41 177.989 176.477 1.512 1
1 471 . 12 1 1 A 41 41 ALA CA C 41 51.533 50.928 0.605 1
1 472 . 12 1 1 A 41 41 ALA CB C 41 17.990 20.769 -2.779 1
1 473 . 12 1 1 A 41 41 ALA N N 41 123.786 126.407 -2.621 1
1 474 . 12 1 1 A 42 42 THR H H 42 8.358 8.867 -0.509 1
1 475 . 12 1 1 A 42 42 THR HA H 42 5.612 4.705 0.907 1
1 480 . 12 1 1 A 42 42 THR C C 42 175.505 173.609 1.896 1
1 481 . 12 1 1 A 42 42 THR CA C 42 58.816 61.482 -2.666 1
1 482 . 12 1 1 A 42 42 THR CB C 42 71.944 69.466 2.478 1
1 484 . 12 1 1 A 42 42 THR N N 42 108.609 119.078 -10.469 1
1 485 . 12 1 1 A 43 43 TRP H H 43 8.625 8.340 0.285 1
1 486 . 12 1 1 A 43 43 TRP HA H 43 5.338 5.223 0.115 1
1 494 . 12 1 1 A 43 43 TRP C C 43 177.892 174.678 3.214 1
1 495 . 12 1 1 A 43 43 TRP CA C 43 54.345 55.258 -0.913 1
1 496 . 12 1 1 A 43 43 TRP CB C 43 31.571 31.502 0.069 1
1 501 . 12 1 1 A 43 43 TRP N N 43 117.778 131.788 -14.010 1
1 503 . 12 1 1 A 44 44 SER H H 44 8.451 8.941 -0.490 1
1 504 . 12 1 1 A 44 44 SER HA H 44 4.498 4.976 -0.478 1
1 507 . 12 1 1 A 44 44 SER C C 44 175.850 174.700 1.150 1
1 508 . 12 1 1 A 44 44 SER CA C 44 57.363 57.792 -0.429 1
1 509 . 12 1 1 A 44 44 SER CB C 44 62.550 62.037 0.513 1
1 510 . 12 1 1 A 44 44 SER N N 44 117.818 123.980 -6.162 1
1 511 . 12 1 1 A 45 45 GLY H H 45 7.513 7.793 -0.280 1
1 512 . 12 1 1 A 45 45 GLY HA2 H 45 4.344 4.212 0.132 1
1 513 . 12 1 1 A 45 45 GLY HA3 H 45 3.775 4.297 -0.522 1
1 514 . 12 1 1 A 45 45 GLY C C 45 172.858 173.320 -0.462 1
1 515 . 12 1 1 A 45 45 GLY CA C 45 44.312 46.144 -1.832 1
1 516 . 12 1 1 A 45 45 GLY N N 45 111.146 112.013 -0.867 1
1 517 . 12 1 1 A 46 46 ARG H H 46 8.534 8.115 0.419 1
1 518 . 12 1 1 A 46 46 ARG HA H 46 4.632 4.206 0.426 1
1 525 . 12 1 1 A 46 46 ARG C C 46 177.983 175.897 2.086 1
1 526 . 12 1 1 A 46 46 ARG CA C 46 53.530 55.612 -2.082 1
1 527 . 12 1 1 A 46 46 ARG CB C 46 31.064 30.511 0.553 1
1 530 . 12 1 1 A 46 46 ARG N N 46 120.921 124.169 -3.248 1
1 531 . 12 1 1 A 47 47 GLY H H 47 8.864 8.629 0.235 1
1 532 . 12 1 1 A 47 47 GLY HA2 H 47 3.919 3.813 0.106 1
1 533 . 12 1 1 A 47 47 GLY HA3 H 47 4.336 3.829 0.507 1
1 534 . 12 1 1 A 47 47 GLY C C 47 177.440 172.685 4.755 1
1 535 . 12 1 1 A 47 47 GLY CA C 47 44.060 46.341 -2.281 1
1 536 . 12 1 1 A 47 47 GLY N N 47 111.872 112.601 -0.729 1
1 537 . 12 1 1 A 48 48 LYS H H 48 7.752 8.118 -0.366 1
1 538 . 12 1 1 A 48 48 LYS HA H 48 4.274 4.420 -0.146 1
1 547 . 12 1 1 A 48 48 LYS C C 48 178.053 174.855 3.198 1
1 548 . 12 1 1 A 48 48 LYS CA C 48 55.302 55.245 0.057 1
1 549 . 12 1 1 A 48 48 LYS CB C 48 32.162 33.143 -0.981 1
1 550 . 12 1 1 A 48 48 LYS N N 48 125.971 125.906 0.065 1
1 551 . 12 1 1 A 49 49 ILE H H 49 8.236 8.671 -0.435 1
1 552 . 12 1 1 A 49 49 ILE HA H 49 2.797 4.744 -1.947 1
1 562 . 12 1 1 A 49 49 ILE CA C 49 58.222 57.673 0.549 1
1 563 . 12 1 1 A 49 49 ILE CB C 49 37.578 38.995 -1.417 1
1 567 . 12 1 1 A 49 49 ILE N N 49 126.182 128.192 -2.010 1
1 568 . 12 1 1 A 50 50 PRO HA H 50 4.344 4.582 -0.238 1
1 571 . 12 1 1 A 50 50 PRO C C 50 178.547 176.496 2.051 1
1 572 . 12 1 1 A 50 50 PRO CA C 50 60.998 62.849 -1.851 1
1 573 . 12 1 1 A 50 50 PRO CB C 50 32.796 29.948 2.848 1
1 575 . 12 1 1 A 51 51 LYS H H 51 9.065 8.226 0.839 1
1 576 . 12 1 1 A 51 51 LYS HA H 51 4.870 4.013 0.857 1
1 581 . 12 1 1 A 51 51 LYS CA C 51 59.788 60.293 -0.505 1
1 582 . 12 1 1 A 51 51 LYS CB C 51 28.838 30.891 -2.053 1
1 583 . 12 1 1 A 51 51 LYS N N 51 125.299 122.995 2.304 1
1 584 . 12 1 1 A 52 52 PRO HA H 52 4.391 4.382 0.009 1
1 591 . 12 1 1 A 52 52 PRO C C 52 181.184 179.053 2.131 1
1 592 . 12 1 1 A 52 52 PRO CA C 52 64.975 65.618 -0.643 1
1 593 . 12 1 1 A 52 52 PRO CB C 52 30.072 31.150 -1.078 1
1 595 . 12 1 1 A 53 53 PHE H H 53 7.144 7.614 -0.470 1
1 596 . 12 1 1 A 53 53 PHE HA H 53 3.875 4.061 -0.186 1
1 601 . 12 1 1 A 53 53 PHE C C 53 177.838 177.725 0.113 1
1 602 . 12 1 1 A 53 53 PHE CA C 53 60.265 61.600 -1.335 1
1 603 . 12 1 1 A 53 53 PHE CB C 53 37.091 39.378 -2.287 1
1 606 . 12 1 1 A 53 53 PHE N N 53 116.868 118.517 -1.649 1
1 607 . 12 1 1 A 54 54 GLU H H 54 7.788 8.443 -0.655 1
1 608 . 12 1 1 A 54 54 GLU HA H 54 3.997 3.840 0.157 1
1 613 . 12 1 1 A 54 54 GLU C C 54 180.998 178.537 2.461 1
1 614 . 12 1 1 A 54 54 GLU CA C 54 58.691 59.494 -0.803 1
1 615 . 12 1 1 A 54 54 GLU CB C 54 29.328 29.487 -0.159 1
1 617 . 12 1 1 A 54 54 GLU N N 54 120.523 119.214 1.309 1
1 618 . 12 1 1 A 55 55 ALA H H 55 8.379 7.850 0.529 1
1 619 . 12 1 1 A 55 55 ALA HA H 55 4.086 3.989 0.097 1
1 623 . 12 1 1 A 55 55 ALA C C 55 180.899 179.127 1.772 1
1 624 . 12 1 1 A 55 55 ALA CA C 55 53.119 55.084 -1.965 1
1 625 . 12 1 1 A 55 55 ALA CB C 55 17.854 18.149 -0.295 1
1 626 . 12 1 1 A 55 55 ALA N N 55 119.006 121.138 -2.132 1
1 627 . 12 1 1 A 56 56 TRP H H 56 7.575 7.829 -0.254 1
1 628 . 12 1 1 A 56 56 TRP HA H 56 4.616 4.380 0.236 1
1 634 . 12 1 1 A 56 56 TRP C C 56 179.334 177.952 1.382 1
1 635 . 12 1 1 A 56 56 TRP CA C 56 59.039 61.385 -2.346 1
1 636 . 12 1 1 A 56 56 TRP CB C 56 27.791 29.665 -1.874 1
1 639 . 12 1 1 A 56 56 TRP N N 56 119.770 120.202 -0.432 1
1 641 . 12 1 1 A 57 57 ILE H H 57 7.291 8.250 -0.959 1
1 642 . 12 1 1 A 57 57 ILE HA H 57 2.517 3.914 -1.397 1
1 651 . 12 1 1 A 57 57 ILE C C 57 177.768 177.458 0.310 1
1 652 . 12 1 1 A 57 57 ILE CA C 57 62.722 64.119 -1.397 1
1 653 . 12 1 1 A 57 57 ILE CB C 57 36.507 36.977 -0.470 1
1 657 . 12 1 1 A 57 57 ILE N N 57 117.374 118.532 -1.158 1
1 658 . 12 1 1 A 58 58 GLY H H 58 6.565 7.671 -1.106 1
1 659 . 12 1 1 A 58 58 GLY HA2 H 58 3.985 3.872 0.113 1
1 660 . 12 1 1 A 58 58 GLY HA3 H 58 4.069 3.982 0.087 1
1 661 . 12 1 1 A 58 58 GLY C C 58 178.787 175.758 3.029 1
1 662 . 12 1 1 A 58 58 GLY CA C 58 43.958 45.336 -1.378 1
1 663 . 12 1 1 A 58 58 GLY N N 58 110.422 109.441 0.981 1
1 664 . 12 1 1 A 59 59 THR H H 59 7.629 7.894 -0.265 1
1 665 . 12 1 1 A 59 59 THR HA H 59 4.554 3.850 0.704 1
1 670 . 12 1 1 A 59 59 THR CA C 59 60.466 65.187 -4.721 1
1 671 . 12 1 1 A 59 59 THR CB C 59 71.728 68.239 3.489 1
1 672 . 12 1 1 A 59 59 THR N N 59 111.600 117.226 -5.626 1
1 673 . 12 1 1 A 60 60 ALA H H 60 9.010 7.176 1.834 1
1 674 . 12 1 1 A 60 60 ALA HA H 60 4.917 4.448 0.469 1
1 678 . 12 1 1 A 60 60 ALA C C 60 182.933 178.577 4.356 1
1 679 . 12 1 1 A 60 60 ALA CA C 60 54.222 52.960 1.262 1
1 680 . 12 1 1 A 60 60 ALA CB C 60 18.122 20.799 -2.677 1
1 681 . 12 1 1 A 60 60 ALA N N 60 125.890 120.570 5.320 1
1 682 . 12 1 1 A 61 61 ALA H H 61 8.368 7.936 0.432 1
1 683 . 12 1 1 A 61 61 ALA HA H 61 4.256 4.149 0.107 1
1 687 . 12 1 1 A 61 61 ALA C C 61 182.536 179.292 3.244 1
1 688 . 12 1 1 A 61 61 ALA CA C 61 54.071 54.880 -0.809 1
1 689 . 12 1 1 A 61 61 ALA CB C 61 18.122 18.233 -0.111 1
1 690 . 12 1 1 A 61 61 ALA N N 61 121.272 120.611 0.661 1
1 691 . 12 1 1 A 62 62 TYR H H 62 7.310 8.345 -1.035 1
1 692 . 12 1 1 A 62 62 TYR HA H 62 3.381 4.080 -0.699 1
1 697 . 12 1 1 A 62 62 TYR C C 62 177.889 177.395 0.494 1
1 698 . 12 1 1 A 62 62 TYR CA C 62 60.203 61.819 -1.616 1
1 699 . 12 1 1 A 62 62 TYR CB C 62 36.771 38.478 -1.707 1
1 702 . 12 1 1 A 62 62 TYR N N 62 122.066 120.726 1.340 1
1 703 . 12 1 1 A 63 63 THR H H 63 8.303 8.299 0.004 1
1 704 . 12 1 1 A 63 63 THR HA H 63 4.405 3.734 0.671 1
1 709 . 12 1 1 A 63 63 THR C C 63 178.200 177.101 1.099 1
1 710 . 12 1 1 A 63 63 THR CA C 63 65.547 65.496 0.051 1
1 711 . 12 1 1 A 63 63 THR CB C 63 67.470 68.875 -1.405 1
1 712 . 12 1 1 A 63 63 THR N N 63 117.473 114.019 3.454 1
1 713 . 12 1 1 A 64 64 ALA H H 64 7.931 7.629 0.302 1
1 714 . 12 1 1 A 64 64 ALA HA H 64 4.220 4.046 0.174 1
1 718 . 12 1 1 A 64 64 ALA C C 64 181.966 179.241 2.725 1
1 719 . 12 1 1 A 64 64 ALA CA C 64 53.966 54.894 -0.928 1
1 720 . 12 1 1 A 64 64 ALA CB C 64 17.432 18.406 -0.974 1
1 721 . 12 1 1 A 64 64 ALA N N 64 123.649 122.869 0.780 1
1 722 . 12 1 1 A 65 65 TRP H H 65 8.049 8.411 -0.362 1
1 723 . 12 1 1 A 65 65 TRP HA H 65 4.294 4.090 0.204 1
1 729 . 12 1 1 A 65 65 TRP C C 65 181.255 178.278 2.977 1
1 730 . 12 1 1 A 65 65 TRP CA C 65 61.458 61.342 0.116 1
1 731 . 12 1 1 A 65 65 TRP CB C 65 27.748 29.622 -1.874 1
1 734 . 12 1 1 A 65 65 TRP N N 65 121.372 120.186 1.186 1
1 736 . 12 1 1 A 66 66 LYS H H 66 9.624 8.524 1.100 1
1 737 . 12 1 1 A 66 66 LYS HA H 66 4.352 4.251 0.101 1
1 745 . 12 1 1 A 66 66 LYS C C 66 180.615 178.870 1.745 1
1 746 . 12 1 1 A 66 66 LYS CA C 66 56.030 59.381 -3.351 1
1 747 . 12 1 1 A 66 66 LYS CB C 66 30.842 31.987 -1.145 1
1 751 . 12 1 1 A 66 66 LYS N N 66 123.631 117.942 5.689 1
1 752 . 12 1 1 A 67 67 ALA H H 67 8.822 7.952 0.870 1
1 753 . 12 1 1 A 67 67 ALA HA H 67 4.027 4.041 -0.014 1
1 757 . 12 1 1 A 67 67 ALA C C 67 180.899 179.736 1.163 1
1 758 . 12 1 1 A 67 67 ALA CA C 67 53.759 54.887 -1.128 1
1 759 . 12 1 1 A 67 67 ALA CB C 67 17.534 18.208 -0.674 1
1 760 . 12 1 1 A 67 67 ALA N N 67 120.803 122.535 -1.732 1
1 761 . 12 1 1 A 68 68 LYS H H 68 6.888 7.346 -0.458 1
1 762 . 12 1 1 A 68 68 LYS HA H 68 4.233 4.191 0.042 1
1 771 . 12 1 1 A 68 68 LYS C C 68 175.989 176.444 -0.455 1
1 772 . 12 1 1 A 68 68 LYS CA C 68 54.355 57.816 -3.461 1
1 773 . 12 1 1 A 68 68 LYS CB C 68 33.056 32.873 0.183 1
1 777 . 12 1 1 A 68 68 LYS N N 68 113.741 114.868 -1.127 1
1 778 . 12 1 1 A 69 69 HIS H H 69 7.111 7.663 -0.552 1
1 779 . 12 1 1 A 69 69 HIS HA H 69 4.768 4.911 -0.143 1
1 784 . 12 1 1 A 69 69 HIS CA C 69 52.654 53.668 -1.014 1
1 785 . 12 1 1 A 69 69 HIS CB C 69 27.381 32.389 -5.008 1
1 788 . 12 1 1 A 69 69 HIS N N 69 120.596 115.197 5.399 1
1 789 . 12 1 1 A 70 70 PRO HA H 70 4.230 4.575 -0.345 1
1 796 . 12 1 1 A 70 70 PRO C C 70 179.651 175.680 3.971 1
1 797 . 12 1 1 A 70 70 PRO CA C 70 64.184 63.199 0.985 1
1 798 . 12 1 1 A 70 70 PRO CB C 70 30.854 32.418 -1.564 1
1 800 . 12 1 1 A 71 71 ASP H H 71 8.619 8.436 0.183 1
1 801 . 12 1 1 A 71 71 ASP HA H 71 4.917 4.890 0.027 1
1 804 . 12 1 1 A 71 71 ASP C C 71 177.057 176.155 0.902 1
1 805 . 12 1 1 A 71 71 ASP CA C 71 52.975 52.515 0.460 1
1 806 . 12 1 1 A 71 71 ASP CB C 71 40.475 39.885 0.590 1
1 807 . 12 1 1 A 71 71 ASP N N 71 116.294 119.465 -3.171 1
1 808 . 12 1 1 A 72 72 GLU H H 72 7.389 8.542 -1.153 1
1 809 . 12 1 1 A 72 72 GLU HA H 72 4.920 4.429 0.491 1
1 814 . 12 1 1 A 72 72 GLU C C 72 176.986 177.024 -0.038 1
1 815 . 12 1 1 A 72 72 GLU CA C 72 54.236 58.542 -4.306 1
1 816 . 12 1 1 A 72 72 GLU CB C 72 33.622 30.847 2.775 1
1 818 . 12 1 1 A 72 72 GLU N N 72 120.136 126.275 -6.139 1
1 819 . 12 1 1 A 73 73 LYS H H 73 9.155 7.693 1.462 1
1 820 . 12 1 1 A 73 73 LYS HA H 73 4.245 4.107 0.138 1
1 829 . 12 1 1 A 73 73 LYS C C 73 176.680 176.458 0.222 1
1 830 . 12 1 1 A 73 73 LYS CA C 73 57.999 55.928 2.071 1
1 831 . 12 1 1 A 73 73 LYS CB C 73 33.418 32.338 1.080 1
1 835 . 12 1 1 A 73 73 LYS N N 73 121.554 119.868 1.686 1
1 836 . 12 1 1 A 74 74 PHE H H 74 7.171 8.510 -1.339 1
1 837 . 12 1 1 A 74 74 PHE HA H 74 4.600 4.567 0.033 1
1 843 . 12 1 1 A 74 74 PHE CA C 74 55.159 57.433 -2.274 1
1 844 . 12 1 1 A 74 74 PHE CB C 74 40.451 40.325 0.126 1
1 848 . 12 1 1 A 74 74 PHE N N 74 111.944 127.169 -15.225 1
1 849 . 12 1 1 A 75 75 PRO HA H 75 4.640 4.467 0.173 1
1 856 . 12 1 1 A 75 75 PRO C C 75 176.914 174.806 2.108 1
1 857 . 12 1 1 A 75 75 PRO CA C 75 62.713 62.127 0.586 1
1 858 . 12 1 1 A 75 75 PRO CB C 75 30.073 28.932 1.141 1
1 860 . 12 1 1 A 76 76 ALA H H 76 9.039 8.576 0.463 1
1 861 . 12 1 1 A 76 76 ALA HA H 76 4.870 4.987 -0.117 1
1 865 . 12 1 1 A 76 76 ALA C C 76 179.974 177.015 2.959 1
1 866 . 12 1 1 A 76 76 ALA CA C 76 50.923 50.661 0.262 1
1 867 . 12 1 1 A 76 76 ALA CB C 76 18.130 20.738 -2.608 1
1 868 . 12 1 1 A 76 76 ALA N N 76 128.387 125.079 3.308 1
1 869 . 12 1 1 A 77 77 PHE H H 77 8.117 8.661 -0.544 1
1 870 . 12 1 1 A 77 77 PHE HA H 77 4.915 5.165 -0.250 1
1 875 . 12 1 1 A 77 77 PHE CA C 77 53.371 54.894 -1.523 1
1 876 . 12 1 1 A 77 77 PHE CB C 77 36.523 40.786 -4.263 1
1 878 . 12 1 1 A 77 77 PHE N N 77 125.115 118.605 6.510 1
1 879 . 12 1 1 A 78 78 PRO HA H 78 4.245 4.723 -0.478 1
1 886 . 12 1 1 A 78 78 PRO C C 78 176.487 178.234 -1.747 1
1 887 . 12 1 1 A 78 78 PRO CA C 78 62.480 62.812 -0.332 1
1 888 . 12 1 1 A 78 78 PRO CB C 78 30.324 29.615 0.709 1
1 13 . 13 1 1 A 2 2 ASN H H 2 9.438 9.190 0.248 1
1 14 . 13 1 1 A 2 2 ASN HA H 2 5.912 4.593 1.319 1
1 19 . 13 1 1 A 2 2 ASN C C 2 175.436 176.086 -0.650 1
1 20 . 13 1 1 A 2 2 ASN CA C 2 54.299 56.347 -2.048 1
1 21 . 13 1 1 A 2 2 ASN CB C 2 38.092 38.268 -0.176 1
1 22 . 13 1 1 A 2 2 ASN N N 2 121.344 120.169 1.175 1
1 24 . 13 1 1 A 3 3 VAL H H 3 8.328 7.580 0.748 1
1 25 . 13 1 1 A 3 3 VAL HA H 3 4.161 4.435 -0.274 1
1 30 . 13 1 1 A 3 3 VAL C C 3 178.200 175.373 2.827 1
1 31 . 13 1 1 A 3 3 VAL CA C 3 61.577 62.948 -1.371 1
1 32 . 13 1 1 A 3 3 VAL CB C 3 32.162 32.022 0.140 1
1 34 . 13 1 1 A 3 3 VAL N N 3 122.195 119.141 3.054 1
1 35 . 13 1 1 A 4 4 LYS H H 4 8.474 8.569 -0.095 1
1 36 . 13 1 1 A 4 4 LYS HA H 4 4.283 4.868 -0.585 1
1 44 . 13 1 1 A 4 4 LYS C C 4 177.509 175.182 2.327 1
1 45 . 13 1 1 A 4 4 LYS CA C 4 55.197 55.015 0.182 1
1 46 . 13 1 1 A 4 4 LYS CB C 4 30.194 36.173 -5.979 1
1 47 . 13 1 1 A 4 4 LYS N N 4 122.239 129.323 -7.084 1
1 48 . 13 1 1 A 5 5 GLN H H 5 8.507 8.582 -0.075 1
1 49 . 13 1 1 A 5 5 GLN HA H 5 4.383 4.373 0.010 1
1 56 . 13 1 1 A 5 5 GLN C C 5 177.440 176.296 1.144 1
1 57 . 13 1 1 A 5 5 GLN CA C 5 55.081 56.188 -1.107 1
1 58 . 13 1 1 A 5 5 GLN CB C 5 29.505 29.571 -0.066 1
1 60 . 13 1 1 A 5 5 GLN N N 5 123.847 125.860 -2.013 1
1 62 . 13 1 1 A 6 6 LYS H H 6 8.407 8.805 -0.398 1
1 63 . 13 1 1 A 6 6 LYS HA H 6 4.392 4.490 -0.098 1
1 72 . 13 1 1 A 6 6 LYS C C 6 178.373 175.730 2.643 1
1 73 . 13 1 1 A 6 6 LYS CA C 6 61.491 56.506 4.985 1
1 74 . 13 1 1 A 6 6 LYS CB C 6 31.993 33.772 -1.779 1
1 78 . 13 1 1 A 6 6 LYS N N 6 123.099 121.923 1.176 1
1 79 . 13 1 1 A 7 7 SER H H 7 8.516 8.590 -0.074 1
1 80 . 13 1 1 A 7 7 SER HA H 7 4.483 5.156 -0.673 1
1 83 . 13 1 1 A 7 7 SER C C 7 175.401 173.487 1.914 1
1 84 . 13 1 1 A 7 7 SER CA C 7 57.370 57.597 -0.227 1
1 85 . 13 1 1 A 7 7 SER CB C 7 62.979 65.484 -2.505 1
1 86 . 13 1 1 A 7 7 SER N N 7 117.184 116.015 1.169 1
1 87 . 13 1 1 A 8 8 GLU H H 8 8.548 9.165 -0.617 1
1 88 . 13 1 1 A 8 8 GLU HA H 8 4.397 5.060 -0.663 1
1 93 . 13 1 1 A 8 8 GLU C C 8 177.785 175.286 2.499 1
1 94 . 13 1 1 A 8 8 GLU CA C 8 55.856 55.213 0.643 1
1 95 . 13 1 1 A 8 8 GLU CB C 8 29.726 30.853 -1.127 1
1 97 . 13 1 1 A 8 8 GLU N N 8 123.697 124.790 -1.093 1
1 98 . 13 1 1 A 9 9 ILE H H 9 8.279 8.699 -0.420 1
1 99 . 13 1 1 A 9 9 ILE HA H 9 4.276 4.706 -0.430 1
1 109 . 13 1 1 A 9 9 ILE C C 9 177.958 176.119 1.839 1
1 110 . 13 1 1 A 9 9 ILE CA C 9 60.538 60.237 0.301 1
1 111 . 13 1 1 A 9 9 ILE CB C 9 37.725 40.323 -2.598 1
1 115 . 13 1 1 A 9 9 ILE N N 9 122.616 125.452 -2.836 1
1 116 . 13 1 1 A 10 10 THR H H 10 8.255 8.720 -0.465 1
1 117 . 13 1 1 A 10 10 THR HA H 10 4.592 4.436 0.156 1
1 122 . 13 1 1 A 10 10 THR C C 10 174.993 174.600 0.393 1
1 123 . 13 1 1 A 10 10 THR CA C 10 61.010 62.330 -1.320 1
1 124 . 13 1 1 A 10 10 THR CB C 10 68.505 69.464 -0.959 1
1 126 . 13 1 1 A 10 10 THR N N 10 119.401 121.533 -2.132 1
1 127 . 13 1 1 A 11 11 ALA H H 11 8.308 8.270 0.038 1
1 128 . 13 1 1 A 11 11 ALA HA H 11 4.400 4.560 -0.160 1
1 132 . 13 1 1 A 11 11 ALA C C 11 178.822 176.851 1.971 1
1 133 . 13 1 1 A 11 11 ALA CA C 11 51.438 52.475 -1.037 1
1 134 . 13 1 1 A 11 11 ALA CB C 11 18.303 19.338 -1.035 1
1 135 . 13 1 1 A 11 11 ALA N N 11 127.285 126.887 0.398 1
1 136 . 13 1 1 A 12 12 LEU H H 12 8.228 8.716 -0.488 1
1 137 . 13 1 1 A 12 12 LEU HA H 12 4.457 5.155 -0.698 1
1 147 . 13 1 1 A 12 12 LEU C C 12 178.787 176.064 2.723 1
1 148 . 13 1 1 A 12 12 LEU CA C 12 54.261 53.267 0.994 1
1 149 . 13 1 1 A 12 12 LEU CB C 12 41.457 45.783 -4.326 1
1 152 . 13 1 1 A 12 12 LEU N N 12 122.431 122.524 -0.093 1
1 153 . 13 1 1 A 13 13 VAL H H 13 8.171 8.601 -0.430 1
1 154 . 13 1 1 A 13 13 VAL HA H 13 4.164 4.091 0.073 1
1 159 . 13 1 1 A 13 13 VAL C C 13 177.412 175.473 1.939 1
1 160 . 13 1 1 A 13 13 VAL CA C 13 61.489 62.376 -0.887 1
1 161 . 13 1 1 A 13 13 VAL CB C 13 31.791 32.549 -0.758 1
1 163 . 13 1 1 A 13 13 VAL N N 13 122.619 122.516 0.103 1
1 164 . 13 1 1 A 14 14 LYS H H 14 8.459 7.854 0.605 1
1 165 . 13 1 1 A 14 14 LYS HA H 14 4.375 4.366 0.009 1
1 174 . 13 1 1 A 14 14 LYS C C 14 177.509 176.768 0.741 1
1 175 . 13 1 1 A 14 14 LYS CA C 14 55.532 56.342 -0.810 1
1 176 . 13 1 1 A 14 14 LYS CB C 14 32.114 33.180 -1.066 1
1 180 . 13 1 1 A 14 14 LYS N N 14 125.566 125.281 0.285 1
1 181 . 13 1 1 A 15 15 GLU H H 15 8.434 8.718 -0.284 1
1 182 . 13 1 1 A 15 15 GLU HA H 15 4.380 4.634 -0.254 1
1 187 . 13 1 1 A 15 15 GLU C C 15 177.440 176.453 0.987 1
1 188 . 13 1 1 A 15 15 GLU CA C 15 55.302 56.212 -0.910 1
1 189 . 13 1 1 A 15 15 GLU CB C 15 29.616 30.147 -0.531 1
1 190 . 13 1 1 A 15 15 GLU N N 15 123.950 124.454 -0.504 1
1 191 . 13 1 1 A 16 16 VAL H H 16 8.326 8.637 -0.311 1
1 192 . 13 1 1 A 16 16 VAL HA H 16 4.205 4.629 -0.424 1
1 197 . 13 1 1 A 16 16 VAL CA C 16 61.613 60.693 0.920 1
1 198 . 13 1 1 A 16 16 VAL CB C 16 32.231 35.686 -3.455 1
1 199 . 13 1 1 A 16 16 VAL N N 16 123.175 123.747 -0.572 1
1 200 . 13 1 1 A 17 17 THR H H 17 8.171 9.203 -1.032 1
1 201 . 13 1 1 A 17 17 THR HA H 17 4.470 4.120 0.350 1
1 206 . 13 1 1 A 17 17 THR CA C 17 57.893 67.430 -9.537 1
1 207 . 13 1 1 A 17 17 THR CB C 17 70.047 67.606 2.441 1
1 208 . 13 1 1 A 17 17 THR N N 17 119.533 119.416 0.117 1
1 209 . 13 1 1 A 19 19 PRO HA H 19 4.355 4.807 -0.452 1
1 212 . 13 1 1 A 19 19 PRO C C 19 177.057 175.708 1.349 1
1 213 . 13 1 1 A 19 19 PRO CA C 19 61.531 62.345 -0.814 1
1 214 . 13 1 1 A 19 19 PRO CB C 19 31.869 29.428 2.441 1
1 215 . 13 1 1 A 20 20 ARG H H 20 8.435 8.447 -0.012 1
1 216 . 13 1 1 A 20 20 ARG HA H 20 4.391 4.566 -0.175 1
1 223 . 13 1 1 A 20 20 ARG C C 20 177.509 173.899 3.610 1
1 224 . 13 1 1 A 20 20 ARG CA C 20 55.300 55.318 -0.018 1
1 225 . 13 1 1 A 20 20 ARG CB C 20 32.492 33.406 -0.914 1
1 228 . 13 1 1 A 20 20 ARG N N 20 126.489 122.195 4.294 1
1 229 . 13 1 1 A 21 21 LYS H H 21 8.426 9.088 -0.662 1
1 230 . 13 1 1 A 21 21 LYS HA H 21 4.397 4.799 -0.402 1
1 239 . 13 1 1 A 21 21 LYS C C 21 177.412 175.459 1.953 1
1 240 . 13 1 1 A 21 21 LYS CA C 21 55.296 54.969 0.327 1
1 241 . 13 1 1 A 21 21 LYS CB C 21 29.837 34.053 -4.216 1
1 244 . 13 1 1 A 21 21 LYS N N 21 123.626 126.944 -3.318 1
1 245 . 13 1 1 A 22 22 ALA H H 22 8.378 8.838 -0.460 1
1 246 . 13 1 1 A 22 22 ALA HA H 22 4.628 4.645 -0.017 1
1 250 . 13 1 1 A 22 22 ALA CA C 22 49.376 50.598 -1.222 1
1 251 . 13 1 1 A 22 22 ALA CB C 22 17.501 18.162 -0.661 1
1 252 . 13 1 1 A 22 22 ALA N N 22 127.197 128.884 -1.687 1
1 253 . 13 1 1 A 23 23 PRO HA H 23 4.219 4.839 -0.620 1
1 257 . 13 1 1 A 23 23 PRO C C 23 177.440 175.362 2.078 1
1 258 . 13 1 1 A 23 23 PRO CA C 23 61.724 62.186 -0.462 1
1 259 . 13 1 1 A 23 23 PRO CB C 23 32.162 29.259 2.903 1
1 260 . 13 1 1 A 24 24 SER H H 24 8.425 8.599 -0.174 1
1 261 . 13 1 1 A 24 24 SER HA H 24 4.344 4.674 -0.330 1
1 264 . 13 1 1 A 24 24 SER C C 24 175.610 173.973 1.637 1
1 265 . 13 1 1 A 24 24 SER CA C 24 58.845 57.868 0.977 1
1 266 . 13 1 1 A 24 24 SER CB C 24 68.920 63.684 5.236 1
1 267 . 13 1 1 A 24 24 SER N N 24 122.433 118.239 4.194 1
1 268 . 13 1 1 A 25 25 LYS H H 25 8.323 8.588 -0.265 1
1 269 . 13 1 1 A 25 25 LYS HA H 25 4.137 4.523 -0.386 1
1 276 . 13 1 1 A 25 25 LYS C C 25 177.462 175.072 2.390 1
1 277 . 13 1 1 A 25 25 LYS CA C 25 55.504 55.633 -0.129 1
1 278 . 13 1 1 A 25 25 LYS CB C 25 32.155 31.737 0.418 1
1 281 . 13 1 1 A 25 25 LYS N N 25 121.718 126.663 -4.945 1
1 282 . 13 1 1 A 26 26 ALA H H 26 8.333 8.518 -0.185 1
1 283 . 13 1 1 A 26 26 ALA HA H 26 4.334 5.420 -1.086 1
1 287 . 13 1 1 A 26 26 ALA CA C 26 51.512 50.703 0.809 1
1 288 . 13 1 1 A 26 26 ALA CB C 26 18.486 20.552 -2.066 1
1 289 . 13 1 1 A 26 26 ALA N N 26 125.817 128.159 -2.342 1
1 290 . 13 1 1 A 27 27 LYS H H 27 8.347 8.525 -0.178 1
1 291 . 13 1 1 A 27 27 LYS HA H 27 4.354 4.940 -0.586 1
1 300 . 13 1 1 A 27 27 LYS C C 27 177.923 175.529 2.394 1
1 301 . 13 1 1 A 27 27 LYS CA C 27 55.413 54.546 0.867 1
1 302 . 13 1 1 A 27 27 LYS CB C 27 32.162 34.836 -2.674 1
1 306 . 13 1 1 A 27 27 LYS N N 27 121.810 123.757 -1.947 1
1 307 . 13 1 1 A 28 28 ARG H H 28 8.440 8.589 -0.149 1
1 308 . 13 1 1 A 28 28 ARG HA H 28 4.672 4.833 -0.161 1
1 315 . 13 1 1 A 28 28 ARG C C 28 177.474 175.235 2.239 1
1 316 . 13 1 1 A 28 28 ARG CA C 28 55.140 55.158 -0.018 1
1 317 . 13 1 1 A 28 28 ARG CB C 28 28.508 30.705 -2.197 1
1 318 . 13 1 1 A 28 28 ARG N N 28 122.679 123.828 -1.149 1
1 319 . 13 1 1 A 29 29 GLU H H 29 8.470 8.416 0.054 1
1 320 . 13 1 1 A 29 29 GLU HA H 29 4.391 5.179 -0.788 1
1 325 . 13 1 1 A 29 29 GLU C C 29 177.057 175.665 1.392 1
1 326 . 13 1 1 A 29 29 GLU CA C 29 55.634 54.754 0.880 1
1 327 . 13 1 1 A 29 29 GLU CB C 29 32.461 33.556 -1.095 1
1 329 . 13 1 1 A 29 29 GLU N N 29 124.395 123.197 1.198 1
1 330 . 13 1 1 A 30 30 ALA H H 30 8.485 8.492 -0.007 1
1 331 . 13 1 1 A 30 30 ALA HA H 30 4.652 4.539 0.113 1
1 335 . 13 1 1 A 30 30 ALA CA C 30 49.523 50.102 -0.579 1
1 336 . 13 1 1 A 30 30 ALA CB C 30 17.328 19.710 -2.382 1
1 337 . 13 1 1 A 30 30 ALA N N 30 128.118 126.766 1.352 1
1 338 . 13 1 1 A 31 31 PRO HA H 31 4.440 4.698 -0.258 1
1 345 . 13 1 1 A 31 31 PRO C C 31 177.612 176.228 1.384 1
1 346 . 13 1 1 A 31 31 PRO CA C 31 61.605 62.987 -1.382 1
1 347 . 13 1 1 A 31 31 PRO CB C 31 31.616 32.611 -0.995 1
1 348 . 13 1 1 A 32 32 ILE H H 32 8.202 7.971 0.231 1
1 349 . 13 1 1 A 32 32 ILE HA H 32 3.503 4.627 -1.124 1
1 359 . 13 1 1 A 32 32 ILE C C 32 176.061 176.530 -0.469 1
1 360 . 13 1 1 A 32 32 ILE CA C 32 60.929 59.153 1.776 1
1 361 . 13 1 1 A 32 32 ILE CB C 32 37.219 40.836 -3.617 1
1 365 . 13 1 1 A 32 32 ILE N N 32 121.270 115.905 5.365 1
1 366 . 13 1 1 A 33 33 LYS H H 33 7.434 9.343 -1.909 1
1 367 . 13 1 1 A 33 33 LYS HA H 33 4.370 4.301 0.069 1
1 376 . 13 1 1 A 33 33 LYS C C 33 176.960 178.022 -1.062 1
1 377 . 13 1 1 A 33 33 LYS CA C 33 56.553 59.616 -3.063 1
1 378 . 13 1 1 A 33 33 LYS CB C 33 35.043 32.140 2.903 1
1 382 . 13 1 1 A 33 33 LYS N N 33 126.133 123.952 2.181 1
1 383 . 13 1 1 A 34 34 TYR H H 34 7.974 8.392 -0.418 1
1 384 . 13 1 1 A 34 34 TYR HA H 34 4.551 4.227 0.324 1
1 389 . 13 1 1 A 34 34 TYR CA C 34 57.337 61.654 -4.317 1
1 390 . 13 1 1 A 34 34 TYR CB C 34 38.051 38.126 -0.075 1
1 393 . 13 1 1 A 34 34 TYR N N 34 121.936 121.500 0.436 1
1 394 . 13 1 1 A 35 35 TRP H H 35 7.912 7.967 -0.055 1
1 395 . 13 1 1 A 35 35 TRP HA H 35 4.687 4.411 0.276 1
1 403 . 13 1 1 A 35 35 TRP C C 35 171.862 175.864 -4.002 1
1 404 . 13 1 1 A 35 35 TRP CA C 35 56.720 60.064 -3.344 1
1 405 . 13 1 1 A 35 35 TRP CB C 35 28.638 30.914 -2.276 1
1 410 . 13 1 1 A 35 35 TRP N N 35 122.844 121.750 1.094 1
1 412 . 13 1 1 A 36 36 LEU H H 36 7.598 7.764 -0.166 1
1 413 . 13 1 1 A 36 36 LEU HA H 36 4.028 4.849 -0.821 1
1 423 . 13 1 1 A 36 36 LEU CA C 36 47.586 51.172 -3.586 1
1 424 . 13 1 1 A 36 36 LEU CB C 36 39.448 44.431 -4.983 1
1 428 . 13 1 1 A 36 36 LEU N N 36 117.117 116.525 0.592 1
1 429 . 13 1 1 A 37 37 PRO HA H 37 4.340 4.590 -0.250 1
1 436 . 13 1 1 A 37 37 PRO C C 37 175.850 176.125 -0.275 1
1 437 . 13 1 1 A 37 37 PRO CA C 37 62.513 64.278 -1.765 1
1 438 . 13 1 1 A 37 37 PRO CB C 37 31.510 31.786 -0.276 1
1 439 . 13 1 1 A 38 38 HIS H H 38 7.704 7.819 -0.115 1
1 440 . 13 1 1 A 38 38 HIS HA H 38 4.366 5.019 -0.653 1
1 445 . 13 1 1 A 38 38 HIS C C 38 176.772 173.368 3.404 1
1 446 . 13 1 1 A 38 38 HIS CA C 38 56.604 53.850 2.754 1
1 447 . 13 1 1 A 38 38 HIS CB C 38 28.736 31.327 -2.591 1
1 450 . 13 1 1 A 38 38 HIS N N 38 111.845 116.823 -4.978 1
1 451 . 13 1 1 A 39 39 SER H H 39 6.451 8.830 -2.379 1
1 452 . 13 1 1 A 39 39 SER HA H 39 4.620 4.555 0.065 1
1 455 . 13 1 1 A 39 39 SER C C 39 176.576 174.174 2.402 1
1 456 . 13 1 1 A 39 39 SER CA C 39 56.604 59.147 -2.543 1
1 457 . 13 1 1 A 39 39 SER CB C 39 65.579 63.096 2.483 1
1 458 . 13 1 1 A 39 39 SER N N 39 113.386 120.250 -6.864 1
1 459 . 13 1 1 A 40 40 GLY H H 40 8.420 8.525 -0.105 1
1 460 . 13 1 1 A 40 40 GLY HA2 H 40 4.346 4.158 0.188 1
1 461 . 13 1 1 A 40 40 GLY HA3 H 40 3.741 4.194 -0.453 1
1 462 . 13 1 1 A 40 40 GLY C C 40 176.997 173.113 3.884 1
1 463 . 13 1 1 A 40 40 GLY CA C 40 44.153 45.670 -1.517 1
1 464 . 13 1 1 A 40 40 GLY N N 40 113.160 111.487 1.673 1
1 465 . 13 1 1 A 41 41 ALA H H 41 7.187 8.684 -1.497 1
1 466 . 13 1 1 A 41 41 ALA HA H 41 4.397 5.172 -0.775 1
1 470 . 13 1 1 A 41 41 ALA C C 41 177.989 175.735 2.254 1
1 471 . 13 1 1 A 41 41 ALA CA C 41 51.533 50.991 0.542 1
1 472 . 13 1 1 A 41 41 ALA CB C 41 17.990 20.942 -2.952 1
1 473 . 13 1 1 A 41 41 ALA N N 41 123.786 125.929 -2.143 1
1 474 . 13 1 1 A 42 42 THR H H 42 8.358 8.989 -0.631 1
1 475 . 13 1 1 A 42 42 THR HA H 42 5.612 4.819 0.793 1
1 480 . 13 1 1 A 42 42 THR C C 42 175.505 173.268 2.237 1
1 481 . 13 1 1 A 42 42 THR CA C 42 58.816 60.653 -1.837 1
1 482 . 13 1 1 A 42 42 THR CB C 42 71.944 69.359 2.585 1
1 484 . 13 1 1 A 42 42 THR N N 42 108.609 119.057 -10.448 1
1 485 . 13 1 1 A 43 43 TRP H H 43 8.625 8.689 -0.064 1
1 486 . 13 1 1 A 43 43 TRP HA H 43 5.338 5.155 0.183 1
1 494 . 13 1 1 A 43 43 TRP C C 43 177.892 174.807 3.085 1
1 495 . 13 1 1 A 43 43 TRP CA C 43 54.345 55.544 -1.199 1
1 496 . 13 1 1 A 43 43 TRP CB C 43 31.571 30.881 0.690 1
1 501 . 13 1 1 A 43 43 TRP N N 43 117.778 132.494 -14.716 1
1 503 . 13 1 1 A 44 44 SER H H 44 8.451 8.898 -0.447 1
1 504 . 13 1 1 A 44 44 SER HA H 44 4.498 5.233 -0.735 1
1 507 . 13 1 1 A 44 44 SER C C 44 175.850 173.945 1.905 1
1 508 . 13 1 1 A 44 44 SER CA C 44 57.363 57.464 -0.101 1
1 509 . 13 1 1 A 44 44 SER CB C 44 62.550 63.900 -1.350 1
1 510 . 13 1 1 A 44 44 SER N N 44 117.818 121.204 -3.386 1
1 511 . 13 1 1 A 45 45 GLY H H 45 7.513 8.158 -0.645 1
1 512 . 13 1 1 A 45 45 GLY HA2 H 45 4.344 4.220 0.124 1
1 513 . 13 1 1 A 45 45 GLY HA3 H 45 3.775 4.302 -0.527 1
1 514 . 13 1 1 A 45 45 GLY C C 45 172.858 173.828 -0.970 1
1 515 . 13 1 1 A 45 45 GLY CA C 45 44.312 46.178 -1.866 1
1 516 . 13 1 1 A 45 45 GLY N N 45 111.146 111.503 -0.357 1
1 517 . 13 1 1 A 46 46 ARG H H 46 8.534 8.028 0.506 1
1 518 . 13 1 1 A 46 46 ARG HA H 46 4.632 4.237 0.395 1
1 525 . 13 1 1 A 46 46 ARG C C 46 177.983 175.805 2.178 1
1 526 . 13 1 1 A 46 46 ARG CA C 46 53.530 55.773 -2.243 1
1 527 . 13 1 1 A 46 46 ARG CB C 46 31.064 31.073 -0.009 1
1 530 . 13 1 1 A 46 46 ARG N N 46 120.921 123.248 -2.327 1
1 531 . 13 1 1 A 47 47 GLY H H 47 8.864 8.472 0.392 1
1 532 . 13 1 1 A 47 47 GLY HA2 H 47 3.919 3.771 0.148 1
1 533 . 13 1 1 A 47 47 GLY HA3 H 47 4.336 3.775 0.561 1
1 534 . 13 1 1 A 47 47 GLY C C 47 177.440 172.932 4.508 1
1 535 . 13 1 1 A 47 47 GLY CA C 47 44.060 46.928 -2.868 1
1 536 . 13 1 1 A 47 47 GLY N N 47 111.872 111.209 0.663 1
1 537 . 13 1 1 A 48 48 LYS H H 48 7.752 8.537 -0.785 1
1 538 . 13 1 1 A 48 48 LYS HA H 48 4.274 4.565 -0.291 1
1 547 . 13 1 1 A 48 48 LYS C C 48 178.053 175.219 2.834 1
1 548 . 13 1 1 A 48 48 LYS CA C 48 55.302 55.026 0.276 1
1 549 . 13 1 1 A 48 48 LYS CB C 48 32.162 33.337 -1.175 1
1 550 . 13 1 1 A 48 48 LYS N N 48 125.971 125.316 0.655 1
1 551 . 13 1 1 A 49 49 ILE H H 49 8.236 8.375 -0.139 1
1 552 . 13 1 1 A 49 49 ILE HA H 49 2.797 4.701 -1.904 1
1 562 . 13 1 1 A 49 49 ILE CA C 49 58.222 57.868 0.354 1
1 563 . 13 1 1 A 49 49 ILE CB C 49 37.578 39.946 -2.368 1
1 567 . 13 1 1 A 49 49 ILE N N 49 126.182 127.642 -1.460 1
1 568 . 13 1 1 A 50 50 PRO HA H 50 4.344 4.577 -0.233 1
1 571 . 13 1 1 A 50 50 PRO C C 50 178.547 176.492 2.055 1
1 572 . 13 1 1 A 50 50 PRO CA C 50 60.998 62.755 -1.757 1
1 573 . 13 1 1 A 50 50 PRO CB C 50 32.796 29.714 3.082 1
1 575 . 13 1 1 A 51 51 LYS H H 51 9.065 8.040 1.025 1
1 576 . 13 1 1 A 51 51 LYS HA H 51 4.870 4.105 0.765 1
1 581 . 13 1 1 A 51 51 LYS CA C 51 59.788 60.933 -1.145 1
1 582 . 13 1 1 A 51 51 LYS CB C 51 28.838 30.942 -2.104 1
1 583 . 13 1 1 A 51 51 LYS N N 51 125.299 122.784 2.515 1
1 584 . 13 1 1 A 52 52 PRO HA H 52 4.391 4.415 -0.024 1
1 591 . 13 1 1 A 52 52 PRO C C 52 181.184 179.073 2.111 1
1 592 . 13 1 1 A 52 52 PRO CA C 52 64.975 65.594 -0.619 1
1 593 . 13 1 1 A 52 52 PRO CB C 52 30.072 31.306 -1.234 1
1 595 . 13 1 1 A 53 53 PHE H H 53 7.144 7.623 -0.479 1
1 596 . 13 1 1 A 53 53 PHE HA H 53 3.875 4.029 -0.154 1
1 601 . 13 1 1 A 53 53 PHE C C 53 177.838 177.707 0.131 1
1 602 . 13 1 1 A 53 53 PHE CA C 53 60.265 61.569 -1.304 1
1 603 . 13 1 1 A 53 53 PHE CB C 53 37.091 39.349 -2.258 1
1 606 . 13 1 1 A 53 53 PHE N N 53 116.868 118.566 -1.698 1
1 607 . 13 1 1 A 54 54 GLU H H 54 7.788 8.371 -0.583 1
1 608 . 13 1 1 A 54 54 GLU HA H 54 3.997 3.860 0.137 1
1 613 . 13 1 1 A 54 54 GLU C C 54 180.998 178.548 2.450 1
1 614 . 13 1 1 A 54 54 GLU CA C 54 58.691 59.292 -0.601 1
1 615 . 13 1 1 A 54 54 GLU CB C 54 29.328 29.425 -0.097 1
1 617 . 13 1 1 A 54 54 GLU N N 54 120.523 119.201 1.322 1
1 618 . 13 1 1 A 55 55 ALA H H 55 8.379 8.004 0.375 1
1 619 . 13 1 1 A 55 55 ALA HA H 55 4.086 4.115 -0.029 1
1 623 . 13 1 1 A 55 55 ALA C C 55 180.899 179.189 1.710 1
1 624 . 13 1 1 A 55 55 ALA CA C 55 53.119 55.104 -1.985 1
1 625 . 13 1 1 A 55 55 ALA CB C 55 17.854 18.197 -0.343 1
1 626 . 13 1 1 A 55 55 ALA N N 55 119.006 121.531 -2.525 1
1 627 . 13 1 1 A 56 56 TRP H H 56 7.575 7.897 -0.322 1
1 628 . 13 1 1 A 56 56 TRP HA H 56 4.616 4.236 0.380 1
1 634 . 13 1 1 A 56 56 TRP C C 56 179.334 178.059 1.275 1
1 635 . 13 1 1 A 56 56 TRP CA C 56 59.039 61.645 -2.606 1
1 636 . 13 1 1 A 56 56 TRP CB C 56 27.791 29.688 -1.897 1
1 639 . 13 1 1 A 56 56 TRP N N 56 119.770 120.268 -0.498 1
1 641 . 13 1 1 A 57 57 ILE H H 57 7.291 8.339 -1.048 1
1 642 . 13 1 1 A 57 57 ILE HA H 57 2.517 4.017 -1.500 1
1 651 . 13 1 1 A 57 57 ILE C C 57 177.768 177.452 0.316 1
1 652 . 13 1 1 A 57 57 ILE CA C 57 62.722 63.954 -1.232 1
1 653 . 13 1 1 A 57 57 ILE CB C 57 36.507 37.064 -0.557 1
1 657 . 13 1 1 A 57 57 ILE N N 57 117.374 118.624 -1.250 1
1 658 . 13 1 1 A 58 58 GLY H H 58 6.565 7.801 -1.236 1
1 659 . 13 1 1 A 58 58 GLY HA2 H 58 3.985 3.944 0.041 1
1 660 . 13 1 1 A 58 58 GLY HA3 H 58 4.069 4.071 -0.002 1
1 661 . 13 1 1 A 58 58 GLY C C 58 178.787 175.697 3.090 1
1 662 . 13 1 1 A 58 58 GLY CA C 58 43.958 45.287 -1.329 1
1 663 . 13 1 1 A 58 58 GLY N N 58 110.422 108.847 1.575 1
1 664 . 13 1 1 A 59 59 THR H H 59 7.629 7.599 0.030 1
1 665 . 13 1 1 A 59 59 THR HA H 59 4.554 4.002 0.552 1
1 670 . 13 1 1 A 59 59 THR CA C 59 60.466 65.286 -4.820 1
1 671 . 13 1 1 A 59 59 THR CB C 59 71.728 68.265 3.463 1
1 672 . 13 1 1 A 59 59 THR N N 59 111.600 116.505 -4.905 1
1 673 . 13 1 1 A 60 60 ALA H H 60 9.010 7.620 1.390 1
1 674 . 13 1 1 A 60 60 ALA HA H 60 4.917 4.554 0.363 1
1 678 . 13 1 1 A 60 60 ALA C C 60 182.933 178.602 4.331 1
1 679 . 13 1 1 A 60 60 ALA CA C 60 54.222 53.109 1.113 1
1 680 . 13 1 1 A 60 60 ALA CB C 60 18.122 20.998 -2.876 1
1 681 . 13 1 1 A 60 60 ALA N N 60 125.890 120.695 5.195 1
1 682 . 13 1 1 A 61 61 ALA H H 61 8.368 8.131 0.237 1
1 683 . 13 1 1 A 61 61 ALA HA H 61 4.256 4.198 0.058 1
1 687 . 13 1 1 A 61 61 ALA C C 61 182.536 179.320 3.216 1
1 688 . 13 1 1 A 61 61 ALA CA C 61 54.071 55.094 -1.023 1
1 689 . 13 1 1 A 61 61 ALA CB C 61 18.122 18.346 -0.224 1
1 690 . 13 1 1 A 61 61 ALA N N 61 121.272 120.721 0.551 1
1 691 . 13 1 1 A 62 62 TYR H H 62 7.310 8.411 -1.101 1
1 692 . 13 1 1 A 62 62 TYR HA H 62 3.381 4.140 -0.759 1
1 697 . 13 1 1 A 62 62 TYR C C 62 177.889 177.353 0.536 1
1 698 . 13 1 1 A 62 62 TYR CA C 62 60.203 61.823 -1.620 1
1 699 . 13 1 1 A 62 62 TYR CB C 62 36.771 38.670 -1.899 1
1 702 . 13 1 1 A 62 62 TYR N N 62 122.066 120.641 1.425 1
1 703 . 13 1 1 A 63 63 THR H H 63 8.303 8.398 -0.095 1
1 704 . 13 1 1 A 63 63 THR HA H 63 4.405 3.785 0.620 1
1 709 . 13 1 1 A 63 63 THR C C 63 178.200 177.362 0.838 1
1 710 . 13 1 1 A 63 63 THR CA C 63 65.547 65.643 -0.096 1
1 711 . 13 1 1 A 63 63 THR CB C 63 67.470 68.736 -1.266 1
1 712 . 13 1 1 A 63 63 THR N N 63 117.473 114.270 3.203 1
1 713 . 13 1 1 A 64 64 ALA H H 64 7.931 7.576 0.355 1
1 714 . 13 1 1 A 64 64 ALA HA H 64 4.220 4.038 0.182 1
1 718 . 13 1 1 A 64 64 ALA C C 64 181.966 179.429 2.537 1
1 719 . 13 1 1 A 64 64 ALA CA C 64 53.966 54.887 -0.921 1
1 720 . 13 1 1 A 64 64 ALA CB C 64 17.432 18.397 -0.965 1
1 721 . 13 1 1 A 64 64 ALA N N 64 123.649 122.833 0.816 1
1 722 . 13 1 1 A 65 65 TRP H H 65 8.049 8.490 -0.441 1
1 723 . 13 1 1 A 65 65 TRP HA H 65 4.294 4.051 0.243 1
1 729 . 13 1 1 A 65 65 TRP C C 65 181.255 178.546 2.709 1
1 730 . 13 1 1 A 65 65 TRP CA C 65 61.458 61.420 0.038 1
1 731 . 13 1 1 A 65 65 TRP CB C 65 27.748 29.530 -1.782 1
1 734 . 13 1 1 A 65 65 TRP N N 65 121.372 120.399 0.973 1
1 736 . 13 1 1 A 66 66 LYS H H 66 9.624 8.521 1.103 1
1 737 . 13 1 1 A 66 66 LYS HA H 66 4.352 4.126 0.226 1
1 745 . 13 1 1 A 66 66 LYS C C 66 180.615 179.030 1.585 1
1 746 . 13 1 1 A 66 66 LYS CA C 66 56.030 59.646 -3.616 1
1 747 . 13 1 1 A 66 66 LYS CB C 66 30.842 31.688 -0.846 1
1 751 . 13 1 1 A 66 66 LYS N N 66 123.631 118.337 5.294 1
1 752 . 13 1 1 A 67 67 ALA H H 67 8.822 7.708 1.114 1
1 753 . 13 1 1 A 67 67 ALA HA H 67 4.027 3.987 0.040 1
1 757 . 13 1 1 A 67 67 ALA C C 67 180.899 179.314 1.585 1
1 758 . 13 1 1 A 67 67 ALA CA C 67 53.759 54.957 -1.198 1
1 759 . 13 1 1 A 67 67 ALA CB C 67 17.534 18.188 -0.654 1
1 760 . 13 1 1 A 67 67 ALA N N 67 120.803 121.950 -1.147 1
1 761 . 13 1 1 A 68 68 LYS H H 68 6.888 7.698 -0.810 1
1 762 . 13 1 1 A 68 68 LYS HA H 68 4.233 4.231 0.002 1
1 771 . 13 1 1 A 68 68 LYS C C 68 175.989 176.545 -0.556 1
1 772 . 13 1 1 A 68 68 LYS CA C 68 54.355 57.631 -3.276 1
1 773 . 13 1 1 A 68 68 LYS CB C 68 33.056 33.160 -0.104 1
1 777 . 13 1 1 A 68 68 LYS N N 68 113.741 115.060 -1.319 1
1 778 . 13 1 1 A 69 69 HIS H H 69 7.111 7.860 -0.749 1
1 779 . 13 1 1 A 69 69 HIS HA H 69 4.768 4.896 -0.128 1
1 784 . 13 1 1 A 69 69 HIS CA C 69 52.654 53.691 -1.037 1
1 785 . 13 1 1 A 69 69 HIS CB C 69 27.381 32.691 -5.310 1
1 788 . 13 1 1 A 69 69 HIS N N 69 120.596 115.094 5.502 1
1 789 . 13 1 1 A 70 70 PRO HA H 70 4.230 4.327 -0.097 1
1 796 . 13 1 1 A 70 70 PRO C C 70 179.651 176.742 2.909 1
1 797 . 13 1 1 A 70 70 PRO CA C 70 64.184 66.011 -1.827 1
1 798 . 13 1 1 A 70 70 PRO CB C 70 30.854 31.623 -0.769 1
1 800 . 13 1 1 A 71 71 ASP H H 71 8.619 8.062 0.557 1
1 801 . 13 1 1 A 71 71 ASP HA H 71 4.917 4.969 -0.052 1
1 804 . 13 1 1 A 71 71 ASP C C 71 177.057 176.250 0.807 1
1 805 . 13 1 1 A 71 71 ASP CA C 71 52.975 52.788 0.187 1
1 806 . 13 1 1 A 71 71 ASP CB C 71 40.475 40.877 -0.402 1
1 807 . 13 1 1 A 71 71 ASP N N 71 116.294 116.468 -0.174 1
1 808 . 13 1 1 A 72 72 GLU H H 72 7.389 8.687 -1.298 1
1 809 . 13 1 1 A 72 72 GLU HA H 72 4.920 4.325 0.595 1
1 814 . 13 1 1 A 72 72 GLU C C 72 176.986 177.230 -0.244 1
1 815 . 13 1 1 A 72 72 GLU CA C 72 54.236 59.002 -4.766 1
1 816 . 13 1 1 A 72 72 GLU CB C 72 33.622 31.012 2.610 1
1 818 . 13 1 1 A 72 72 GLU N N 72 120.136 125.965 -5.829 1
1 819 . 13 1 1 A 73 73 LYS H H 73 9.155 7.715 1.440 1
1 820 . 13 1 1 A 73 73 LYS HA H 73 4.245 4.066 0.179 1
1 829 . 13 1 1 A 73 73 LYS C C 73 176.680 176.206 0.474 1
1 830 . 13 1 1 A 73 73 LYS CA C 73 57.999 56.244 1.755 1
1 831 . 13 1 1 A 73 73 LYS CB C 73 33.418 32.241 1.177 1
1 835 . 13 1 1 A 73 73 LYS N N 73 121.554 119.915 1.639 1
1 836 . 13 1 1 A 74 74 PHE H H 74 7.171 8.522 -1.351 1
1 837 . 13 1 1 A 74 74 PHE HA H 74 4.600 4.588 0.012 1
1 843 . 13 1 1 A 74 74 PHE CA C 74 55.159 57.045 -1.886 1
1 844 . 13 1 1 A 74 74 PHE CB C 74 40.451 40.364 0.087 1
1 848 . 13 1 1 A 74 74 PHE N N 74 111.944 126.995 -15.051 1
1 849 . 13 1 1 A 75 75 PRO HA H 75 4.640 4.300 0.340 1
1 856 . 13 1 1 A 75 75 PRO C C 75 176.914 174.726 2.188 1
1 857 . 13 1 1 A 75 75 PRO CA C 75 62.713 62.026 0.687 1
1 858 . 13 1 1 A 75 75 PRO CB C 75 30.073 28.798 1.275 1
1 860 . 13 1 1 A 76 76 ALA H H 76 9.039 8.669 0.370 1
1 861 . 13 1 1 A 76 76 ALA HA H 76 4.870 5.076 -0.206 1
1 865 . 13 1 1 A 76 76 ALA C C 76 179.974 177.227 2.747 1
1 866 . 13 1 1 A 76 76 ALA CA C 76 50.923 50.662 0.261 1
1 867 . 13 1 1 A 76 76 ALA CB C 76 18.130 20.756 -2.626 1
1 868 . 13 1 1 A 76 76 ALA N N 76 128.387 124.982 3.405 1
1 869 . 13 1 1 A 77 77 PHE H H 77 8.117 8.914 -0.797 1
1 870 . 13 1 1 A 77 77 PHE HA H 77 4.915 5.158 -0.243 1
1 875 . 13 1 1 A 77 77 PHE CA C 77 53.371 55.045 -1.674 1
1 876 . 13 1 1 A 77 77 PHE CB C 77 36.523 40.711 -4.188 1
1 878 . 13 1 1 A 77 77 PHE N N 77 125.115 119.565 5.550 1
1 879 . 13 1 1 A 78 78 PRO HA H 78 4.245 4.759 -0.514 1
1 886 . 13 1 1 A 78 78 PRO C C 78 176.487 175.939 0.548 1
1 887 . 13 1 1 A 78 78 PRO CA C 78 62.480 62.334 0.146 1
1 888 . 13 1 1 A 78 78 PRO CB C 78 30.324 31.122 -0.798 1
1 13 . 14 1 1 A 2 2 ASN H H 2 9.438 8.772 0.666 1
1 14 . 14 1 1 A 2 2 ASN HA H 2 5.912 4.708 1.204 1
1 19 . 14 1 1 A 2 2 ASN C C 2 175.436 175.427 0.009 1
1 20 . 14 1 1 A 2 2 ASN CA C 2 54.299 55.894 -1.595 1
1 21 . 14 1 1 A 2 2 ASN CB C 2 38.092 38.959 -0.867 1
1 22 . 14 1 1 A 2 2 ASN N N 2 121.344 123.411 -2.067 1
1 24 . 14 1 1 A 3 3 VAL H H 3 8.328 7.972 0.356 1
1 25 . 14 1 1 A 3 3 VAL HA H 3 4.161 4.993 -0.832 1
1 30 . 14 1 1 A 3 3 VAL C C 3 178.200 175.277 2.923 1
1 31 . 14 1 1 A 3 3 VAL CA C 3 61.577 60.681 0.896 1
1 32 . 14 1 1 A 3 3 VAL CB C 3 32.162 33.791 -1.629 1
1 34 . 14 1 1 A 3 3 VAL N N 3 122.195 118.488 3.707 1
1 35 . 14 1 1 A 4 4 LYS H H 4 8.474 8.485 -0.011 1
1 36 . 14 1 1 A 4 4 LYS HA H 4 4.283 4.739 -0.456 1
1 44 . 14 1 1 A 4 4 LYS C C 4 177.509 174.782 2.727 1
1 45 . 14 1 1 A 4 4 LYS CA C 4 55.197 55.277 -0.080 1
1 46 . 14 1 1 A 4 4 LYS CB C 4 30.194 35.978 -5.784 1
1 47 . 14 1 1 A 4 4 LYS N N 4 122.239 129.714 -7.475 1
1 48 . 14 1 1 A 5 5 GLN H H 5 8.507 8.677 -0.170 1
1 49 . 14 1 1 A 5 5 GLN HA H 5 4.383 4.402 -0.019 1
1 56 . 14 1 1 A 5 5 GLN C C 5 177.440 176.135 1.305 1
1 57 . 14 1 1 A 5 5 GLN CA C 5 55.081 56.003 -0.922 1
1 58 . 14 1 1 A 5 5 GLN CB C 5 29.505 29.764 -0.259 1
1 60 . 14 1 1 A 5 5 GLN N N 5 123.847 126.065 -2.218 1
1 62 . 14 1 1 A 6 6 LYS H H 6 8.407 8.599 -0.192 1
1 63 . 14 1 1 A 6 6 LYS HA H 6 4.392 4.670 -0.278 1
1 72 . 14 1 1 A 6 6 LYS C C 6 178.373 175.617 2.756 1
1 73 . 14 1 1 A 6 6 LYS CA C 6 61.491 55.989 5.502 1
1 74 . 14 1 1 A 6 6 LYS CB C 6 31.993 33.872 -1.879 1
1 78 . 14 1 1 A 6 6 LYS N N 6 123.099 121.353 1.746 1
1 79 . 14 1 1 A 7 7 SER H H 7 8.516 8.966 -0.450 1
1 80 . 14 1 1 A 7 7 SER HA H 7 4.483 5.037 -0.554 1
1 83 . 14 1 1 A 7 7 SER C C 7 175.401 173.641 1.760 1
1 84 . 14 1 1 A 7 7 SER CA C 7 57.370 57.709 -0.339 1
1 85 . 14 1 1 A 7 7 SER CB C 7 62.979 64.330 -1.351 1
1 86 . 14 1 1 A 7 7 SER N N 7 117.184 118.816 -1.632 1
1 87 . 14 1 1 A 8 8 GLU H H 8 8.548 9.210 -0.662 1
1 88 . 14 1 1 A 8 8 GLU HA H 8 4.397 5.029 -0.632 1
1 93 . 14 1 1 A 8 8 GLU C C 8 177.785 175.391 2.394 1
1 94 . 14 1 1 A 8 8 GLU CA C 8 55.856 55.247 0.609 1
1 95 . 14 1 1 A 8 8 GLU CB C 8 29.726 30.480 -0.754 1
1 97 . 14 1 1 A 8 8 GLU N N 8 123.697 125.177 -1.480 1
1 98 . 14 1 1 A 9 9 ILE H H 9 8.279 8.844 -0.565 1
1 99 . 14 1 1 A 9 9 ILE HA H 9 4.276 4.759 -0.483 1
1 109 . 14 1 1 A 9 9 ILE C C 9 177.958 175.610 2.348 1
1 110 . 14 1 1 A 9 9 ILE CA C 9 60.538 60.006 0.532 1
1 111 . 14 1 1 A 9 9 ILE CB C 9 37.725 41.481 -3.756 1
1 115 . 14 1 1 A 9 9 ILE N N 9 122.616 124.992 -2.376 1
1 116 . 14 1 1 A 10 10 THR H H 10 8.255 8.620 -0.365 1
1 117 . 14 1 1 A 10 10 THR HA H 10 4.592 4.424 0.168 1
1 122 . 14 1 1 A 10 10 THR C C 10 174.993 174.456 0.537 1
1 123 . 14 1 1 A 10 10 THR CA C 10 61.010 62.421 -1.411 1
1 124 . 14 1 1 A 10 10 THR CB C 10 68.505 69.466 -0.961 1
1 126 . 14 1 1 A 10 10 THR N N 10 119.401 121.678 -2.277 1
1 127 . 14 1 1 A 11 11 ALA H H 11 8.308 8.299 0.009 1
1 128 . 14 1 1 A 11 11 ALA HA H 11 4.400 4.524 -0.124 1
1 132 . 14 1 1 A 11 11 ALA C C 11 178.822 176.950 1.872 1
1 133 . 14 1 1 A 11 11 ALA CA C 11 51.438 52.669 -1.231 1
1 134 . 14 1 1 A 11 11 ALA CB C 11 18.303 19.264 -0.961 1
1 135 . 14 1 1 A 11 11 ALA N N 11 127.285 126.947 0.338 1
1 136 . 14 1 1 A 12 12 LEU H H 12 8.228 8.714 -0.486 1
1 137 . 14 1 1 A 12 12 LEU HA H 12 4.457 5.149 -0.692 1
1 147 . 14 1 1 A 12 12 LEU C C 12 178.787 175.625 3.162 1
1 148 . 14 1 1 A 12 12 LEU CA C 12 54.261 53.303 0.958 1
1 149 . 14 1 1 A 12 12 LEU CB C 12 41.457 46.428 -4.971 1
1 152 . 14 1 1 A 12 12 LEU N N 12 122.431 123.125 -0.694 1
1 153 . 14 1 1 A 13 13 VAL H H 13 8.171 8.550 -0.379 1
1 154 . 14 1 1 A 13 13 VAL HA H 13 4.164 4.055 0.109 1
1 159 . 14 1 1 A 13 13 VAL C C 13 177.412 175.627 1.785 1
1 160 . 14 1 1 A 13 13 VAL CA C 13 61.489 62.470 -0.981 1
1 161 . 14 1 1 A 13 13 VAL CB C 13 31.791 32.540 -0.749 1
1 163 . 14 1 1 A 13 13 VAL N N 13 122.619 122.332 0.287 1
1 164 . 14 1 1 A 14 14 LYS H H 14 8.459 8.157 0.302 1
1 165 . 14 1 1 A 14 14 LYS HA H 14 4.375 4.368 0.007 1
1 174 . 14 1 1 A 14 14 LYS C C 14 177.509 176.213 1.296 1
1 175 . 14 1 1 A 14 14 LYS CA C 14 55.532 56.338 -0.806 1
1 176 . 14 1 1 A 14 14 LYS CB C 14 32.114 33.217 -1.103 1
1 180 . 14 1 1 A 14 14 LYS N N 14 125.566 125.105 0.461 1
1 181 . 14 1 1 A 15 15 GLU H H 15 8.434 8.505 -0.071 1
1 182 . 14 1 1 A 15 15 GLU HA H 15 4.380 4.311 0.069 1
1 187 . 14 1 1 A 15 15 GLU C C 15 177.440 176.660 0.780 1
1 188 . 14 1 1 A 15 15 GLU CA C 15 55.302 56.672 -1.370 1
1 189 . 14 1 1 A 15 15 GLU CB C 15 29.616 29.704 -0.088 1
1 190 . 14 1 1 A 15 15 GLU N N 15 123.950 123.319 0.631 1
1 191 . 14 1 1 A 16 16 VAL H H 16 8.326 8.482 -0.156 1
1 192 . 14 1 1 A 16 16 VAL HA H 16 4.205 4.697 -0.492 1
1 197 . 14 1 1 A 16 16 VAL CA C 16 61.613 60.740 0.873 1
1 198 . 14 1 1 A 16 16 VAL CB C 16 32.231 35.587 -3.356 1
1 199 . 14 1 1 A 16 16 VAL N N 16 123.175 124.096 -0.921 1
1 200 . 14 1 1 A 17 17 THR H H 17 8.171 8.909 -0.738 1
1 201 . 14 1 1 A 17 17 THR HA H 17 4.470 4.223 0.247 1
1 206 . 14 1 1 A 17 17 THR CA C 17 57.893 67.357 -9.464 1
1 207 . 14 1 1 A 17 17 THR CB C 17 70.047 67.293 2.754 1
1 208 . 14 1 1 A 17 17 THR N N 17 119.533 120.500 -0.967 1
1 209 . 14 1 1 A 19 19 PRO HA H 19 4.355 4.790 -0.435 1
1 212 . 14 1 1 A 19 19 PRO C C 19 177.057 175.298 1.759 1
1 213 . 14 1 1 A 19 19 PRO CA C 19 61.531 62.357 -0.826 1
1 214 . 14 1 1 A 19 19 PRO CB C 19 31.869 29.295 2.574 1
1 215 . 14 1 1 A 20 20 ARG H H 20 8.435 8.676 -0.241 1
1 216 . 14 1 1 A 20 20 ARG HA H 20 4.391 4.814 -0.423 1
1 223 . 14 1 1 A 20 20 ARG C C 20 177.509 173.777 3.732 1
1 224 . 14 1 1 A 20 20 ARG CA C 20 55.300 55.612 -0.312 1
1 225 . 14 1 1 A 20 20 ARG CB C 20 32.492 33.169 -0.677 1
1 228 . 14 1 1 A 20 20 ARG N N 20 126.489 123.221 3.268 1
1 229 . 14 1 1 A 21 21 LYS H H 21 8.426 8.862 -0.436 1
1 230 . 14 1 1 A 21 21 LYS HA H 21 4.397 5.002 -0.605 1
1 239 . 14 1 1 A 21 21 LYS C C 21 177.412 175.383 2.029 1
1 240 . 14 1 1 A 21 21 LYS CA C 21 55.296 54.529 0.767 1
1 241 . 14 1 1 A 21 21 LYS CB C 21 29.837 35.271 -5.434 1
1 244 . 14 1 1 A 21 21 LYS N N 21 123.626 126.586 -2.960 1
1 245 . 14 1 1 A 22 22 ALA H H 22 8.378 8.867 -0.489 1
1 246 . 14 1 1 A 22 22 ALA HA H 22 4.628 4.861 -0.233 1
1 250 . 14 1 1 A 22 22 ALA CA C 22 49.376 50.112 -0.736 1
1 251 . 14 1 1 A 22 22 ALA CB C 22 17.501 19.849 -2.348 1
1 252 . 14 1 1 A 22 22 ALA N N 22 127.197 128.271 -1.074 1
1 253 . 14 1 1 A 23 23 PRO HA H 23 4.219 4.842 -0.623 1
1 257 . 14 1 1 A 23 23 PRO C C 23 177.440 175.311 2.129 1
1 258 . 14 1 1 A 23 23 PRO CA C 23 61.724 62.180 -0.456 1
1 259 . 14 1 1 A 23 23 PRO CB C 23 32.162 29.194 2.968 1
1 260 . 14 1 1 A 24 24 SER H H 24 8.425 8.432 -0.007 1
1 261 . 14 1 1 A 24 24 SER HA H 24 4.344 4.631 -0.287 1
1 264 . 14 1 1 A 24 24 SER C C 24 175.610 174.241 1.369 1
1 265 . 14 1 1 A 24 24 SER CA C 24 58.845 58.005 0.840 1
1 266 . 14 1 1 A 24 24 SER CB C 24 68.920 64.032 4.888 1
1 267 . 14 1 1 A 24 24 SER N N 24 122.433 118.411 4.022 1
1 268 . 14 1 1 A 25 25 LYS H H 25 8.323 8.508 -0.185 1
1 269 . 14 1 1 A 25 25 LYS HA H 25 4.137 4.566 -0.429 1
1 276 . 14 1 1 A 25 25 LYS C C 25 177.462 175.239 2.223 1
1 277 . 14 1 1 A 25 25 LYS CA C 25 55.504 55.631 -0.127 1
1 278 . 14 1 1 A 25 25 LYS CB C 25 32.155 31.902 0.253 1
1 281 . 14 1 1 A 25 25 LYS N N 25 121.718 125.912 -4.194 1
1 282 . 14 1 1 A 26 26 ALA H H 26 8.333 8.439 -0.106 1
1 283 . 14 1 1 A 26 26 ALA HA H 26 4.334 5.616 -1.282 1
1 287 . 14 1 1 A 26 26 ALA CA C 26 51.512 50.411 1.101 1
1 288 . 14 1 1 A 26 26 ALA CB C 26 18.486 20.872 -2.386 1
1 289 . 14 1 1 A 26 26 ALA N N 26 125.817 128.415 -2.598 1
1 290 . 14 1 1 A 27 27 LYS H H 27 8.347 8.908 -0.561 1
1 291 . 14 1 1 A 27 27 LYS HA H 27 4.354 4.976 -0.622 1
1 300 . 14 1 1 A 27 27 LYS C C 27 177.923 175.489 2.434 1
1 301 . 14 1 1 A 27 27 LYS CA C 27 55.413 54.557 0.856 1
1 302 . 14 1 1 A 27 27 LYS CB C 27 32.162 34.648 -2.486 1
1 306 . 14 1 1 A 27 27 LYS N N 27 121.810 123.476 -1.666 1
1 307 . 14 1 1 A 28 28 ARG H H 28 8.440 8.582 -0.142 1
1 308 . 14 1 1 A 28 28 ARG HA H 28 4.672 4.924 -0.252 1
1 315 . 14 1 1 A 28 28 ARG C C 28 177.474 175.261 2.213 1
1 316 . 14 1 1 A 28 28 ARG CA C 28 55.140 55.255 -0.115 1
1 317 . 14 1 1 A 28 28 ARG CB C 28 28.508 30.587 -2.079 1
1 318 . 14 1 1 A 28 28 ARG N N 28 122.679 124.406 -1.727 1
1 319 . 14 1 1 A 29 29 GLU H H 29 8.470 8.249 0.221 1
1 320 . 14 1 1 A 29 29 GLU HA H 29 4.391 5.241 -0.850 1
1 325 . 14 1 1 A 29 29 GLU C C 29 177.057 175.548 1.509 1
1 326 . 14 1 1 A 29 29 GLU CA C 29 55.634 54.865 0.769 1
1 327 . 14 1 1 A 29 29 GLU CB C 29 32.461 32.675 -0.214 1
1 329 . 14 1 1 A 29 29 GLU N N 29 124.395 123.310 1.085 1
1 330 . 14 1 1 A 30 30 ALA H H 30 8.485 8.568 -0.083 1
1 331 . 14 1 1 A 30 30 ALA HA H 30 4.652 4.610 0.042 1
1 335 . 14 1 1 A 30 30 ALA CA C 30 49.523 50.364 -0.841 1
1 336 . 14 1 1 A 30 30 ALA CB C 30 17.328 19.691 -2.363 1
1 337 . 14 1 1 A 30 30 ALA N N 30 128.118 128.811 -0.693 1
1 338 . 14 1 1 A 31 31 PRO HA H 31 4.440 4.650 -0.210 1
1 345 . 14 1 1 A 31 31 PRO C C 31 177.612 176.053 1.559 1
1 346 . 14 1 1 A 31 31 PRO CA C 31 61.605 64.914 -3.309 1
1 347 . 14 1 1 A 31 31 PRO CB C 31 31.616 32.169 -0.553 1
1 348 . 14 1 1 A 32 32 ILE H H 32 8.202 7.912 0.290 1
1 349 . 14 1 1 A 32 32 ILE HA H 32 3.503 4.733 -1.230 1
1 359 . 14 1 1 A 32 32 ILE C C 32 176.061 176.357 -0.296 1
1 360 . 14 1 1 A 32 32 ILE CA C 32 60.929 58.703 2.226 1
1 361 . 14 1 1 A 32 32 ILE CB C 32 37.219 41.087 -3.868 1
1 365 . 14 1 1 A 32 32 ILE N N 32 121.270 115.173 6.097 1
1 366 . 14 1 1 A 33 33 LYS H H 33 7.434 9.325 -1.891 1
1 367 . 14 1 1 A 33 33 LYS HA H 33 4.370 4.348 0.022 1
1 376 . 14 1 1 A 33 33 LYS C C 33 176.960 177.391 -0.431 1
1 377 . 14 1 1 A 33 33 LYS CA C 33 56.553 59.156 -2.603 1
1 378 . 14 1 1 A 33 33 LYS CB C 33 35.043 32.267 2.776 1
1 382 . 14 1 1 A 33 33 LYS N N 33 126.133 124.518 1.615 1
1 383 . 14 1 1 A 34 34 TYR H H 34 7.974 8.381 -0.407 1
1 384 . 14 1 1 A 34 34 TYR HA H 34 4.551 4.267 0.284 1
1 389 . 14 1 1 A 34 34 TYR CA C 34 57.337 61.653 -4.316 1
1 390 . 14 1 1 A 34 34 TYR CB C 34 38.051 38.584 -0.533 1
1 393 . 14 1 1 A 34 34 TYR N N 34 121.936 120.432 1.504 1
1 394 . 14 1 1 A 35 35 TRP H H 35 7.912 8.039 -0.127 1
1 395 . 14 1 1 A 35 35 TRP HA H 35 4.687 4.578 0.109 1
1 403 . 14 1 1 A 35 35 TRP C C 35 171.862 175.870 -4.008 1
1 404 . 14 1 1 A 35 35 TRP CA C 35 56.720 59.718 -2.998 1
1 405 . 14 1 1 A 35 35 TRP CB C 35 28.638 30.899 -2.261 1
1 410 . 14 1 1 A 35 35 TRP N N 35 122.844 121.738 1.106 1
1 412 . 14 1 1 A 36 36 LEU H H 36 7.598 7.244 0.354 1
1 413 . 14 1 1 A 36 36 LEU HA H 36 4.028 4.862 -0.834 1
1 423 . 14 1 1 A 36 36 LEU CA C 36 47.586 50.961 -3.375 1
1 424 . 14 1 1 A 36 36 LEU CB C 36 39.448 44.398 -4.950 1
1 428 . 14 1 1 A 36 36 LEU N N 36 117.117 116.459 0.658 1
1 429 . 14 1 1 A 37 37 PRO HA H 37 4.340 4.543 -0.203 1
1 436 . 14 1 1 A 37 37 PRO C C 37 175.850 176.197 -0.347 1
1 437 . 14 1 1 A 37 37 PRO CA C 37 62.513 64.443 -1.930 1
1 438 . 14 1 1 A 37 37 PRO CB C 37 31.510 31.805 -0.295 1
1 439 . 14 1 1 A 38 38 HIS H H 38 7.704 7.816 -0.112 1
1 440 . 14 1 1 A 38 38 HIS HA H 38 4.366 4.987 -0.621 1
1 445 . 14 1 1 A 38 38 HIS C C 38 176.772 173.839 2.933 1
1 446 . 14 1 1 A 38 38 HIS CA C 38 56.604 53.811 2.793 1
1 447 . 14 1 1 A 38 38 HIS CB C 38 28.736 31.388 -2.652 1
1 450 . 14 1 1 A 38 38 HIS N N 38 111.845 116.211 -4.366 1
1 451 . 14 1 1 A 39 39 SER H H 39 6.451 8.695 -2.244 1
1 452 . 14 1 1 A 39 39 SER HA H 39 4.620 4.663 -0.043 1
1 455 . 14 1 1 A 39 39 SER C C 39 176.576 174.860 1.716 1
1 456 . 14 1 1 A 39 39 SER CA C 39 56.604 59.227 -2.623 1
1 457 . 14 1 1 A 39 39 SER CB C 39 65.579 62.855 2.724 1
1 458 . 14 1 1 A 39 39 SER N N 39 113.386 124.193 -10.807 1
1 459 . 14 1 1 A 40 40 GLY H H 40 8.420 8.632 -0.212 1
1 460 . 14 1 1 A 40 40 GLY HA2 H 40 4.346 4.235 0.111 1
1 461 . 14 1 1 A 40 40 GLY HA3 H 40 3.741 4.263 -0.522 1
1 462 . 14 1 1 A 40 40 GLY C C 40 176.997 173.604 3.393 1
1 463 . 14 1 1 A 40 40 GLY CA C 40 44.153 45.410 -1.257 1
1 464 . 14 1 1 A 40 40 GLY N N 40 113.160 113.338 -0.178 1
1 465 . 14 1 1 A 41 41 ALA H H 41 7.187 8.462 -1.275 1
1 466 . 14 1 1 A 41 41 ALA HA H 41 4.397 5.284 -0.887 1
1 470 . 14 1 1 A 41 41 ALA C C 41 177.989 175.276 2.713 1
1 471 . 14 1 1 A 41 41 ALA CA C 41 51.533 50.578 0.955 1
1 472 . 14 1 1 A 41 41 ALA CB C 41 17.990 22.189 -4.199 1
1 473 . 14 1 1 A 41 41 ALA N N 41 123.786 126.506 -2.720 1
1 474 . 14 1 1 A 42 42 THR H H 42 8.358 8.811 -0.453 1
1 475 . 14 1 1 A 42 42 THR HA H 42 5.612 4.722 0.890 1
1 480 . 14 1 1 A 42 42 THR C C 42 175.505 173.321 2.184 1
1 481 . 14 1 1 A 42 42 THR CA C 42 58.816 61.041 -2.225 1
1 482 . 14 1 1 A 42 42 THR CB C 42 71.944 69.422 2.522 1
1 484 . 14 1 1 A 42 42 THR N N 42 108.609 117.749 -9.140 1
1 485 . 14 1 1 A 43 43 TRP H H 43 8.625 8.819 -0.194 1
1 486 . 14 1 1 A 43 43 TRP HA H 43 5.338 5.304 0.034 1
1 494 . 14 1 1 A 43 43 TRP C C 43 177.892 174.878 3.014 1
1 495 . 14 1 1 A 43 43 TRP CA C 43 54.345 55.351 -1.006 1
1 496 . 14 1 1 A 43 43 TRP CB C 43 31.571 31.031 0.540 1
1 501 . 14 1 1 A 43 43 TRP N N 43 117.778 132.627 -14.849 1
1 503 . 14 1 1 A 44 44 SER H H 44 8.451 9.025 -0.574 1
1 504 . 14 1 1 A 44 44 SER HA H 44 4.498 5.316 -0.818 1
1 507 . 14 1 1 A 44 44 SER C C 44 175.850 173.942 1.908 1
1 508 . 14 1 1 A 44 44 SER CA C 44 57.363 57.274 0.089 1
1 509 . 14 1 1 A 44 44 SER CB C 44 62.550 64.278 -1.728 1
1 510 . 14 1 1 A 44 44 SER N N 44 117.818 120.939 -3.121 1
1 511 . 14 1 1 A 45 45 GLY H H 45 7.513 8.440 -0.927 1
1 512 . 14 1 1 A 45 45 GLY HA2 H 45 4.344 4.261 0.083 1
1 513 . 14 1 1 A 45 45 GLY HA3 H 45 3.775 4.351 -0.576 1
1 514 . 14 1 1 A 45 45 GLY C C 45 172.858 173.565 -0.707 1
1 515 . 14 1 1 A 45 45 GLY CA C 45 44.312 46.115 -1.803 1
1 516 . 14 1 1 A 45 45 GLY N N 45 111.146 111.478 -0.332 1
1 517 . 14 1 1 A 46 46 ARG H H 46 8.534 8.127 0.407 1
1 518 . 14 1 1 A 46 46 ARG HA H 46 4.632 4.257 0.375 1
1 525 . 14 1 1 A 46 46 ARG C C 46 177.983 176.137 1.846 1
1 526 . 14 1 1 A 46 46 ARG CA C 46 53.530 55.640 -2.110 1
1 527 . 14 1 1 A 46 46 ARG CB C 46 31.064 30.962 0.102 1
1 530 . 14 1 1 A 46 46 ARG N N 46 120.921 123.732 -2.811 1
1 531 . 14 1 1 A 47 47 GLY H H 47 8.864 8.556 0.308 1
1 532 . 14 1 1 A 47 47 GLY HA2 H 47 3.919 3.789 0.130 1
1 533 . 14 1 1 A 47 47 GLY HA3 H 47 4.336 3.803 0.533 1
1 534 . 14 1 1 A 47 47 GLY C C 47 177.440 172.916 4.524 1
1 535 . 14 1 1 A 47 47 GLY CA C 47 44.060 46.575 -2.515 1
1 536 . 14 1 1 A 47 47 GLY N N 47 111.872 111.963 -0.091 1
1 537 . 14 1 1 A 48 48 LYS H H 48 7.752 8.224 -0.472 1
1 538 . 14 1 1 A 48 48 LYS HA H 48 4.274 4.444 -0.170 1
1 547 . 14 1 1 A 48 48 LYS C C 48 178.053 175.142 2.911 1
1 548 . 14 1 1 A 48 48 LYS CA C 48 55.302 55.323 -0.021 1
1 549 . 14 1 1 A 48 48 LYS CB C 48 32.162 32.954 -0.792 1
1 550 . 14 1 1 A 48 48 LYS N N 48 125.971 125.975 -0.004 1
1 551 . 14 1 1 A 49 49 ILE H H 49 8.236 8.594 -0.358 1
1 552 . 14 1 1 A 49 49 ILE HA H 49 2.797 4.774 -1.977 1
1 562 . 14 1 1 A 49 49 ILE CA C 49 58.222 57.859 0.363 1
1 563 . 14 1 1 A 49 49 ILE CB C 49 37.578 39.529 -1.951 1
1 567 . 14 1 1 A 49 49 ILE N N 49 126.182 128.006 -1.824 1
1 568 . 14 1 1 A 50 50 PRO HA H 50 4.344 4.631 -0.287 1
1 571 . 14 1 1 A 50 50 PRO C C 50 178.547 176.483 2.064 1
1 572 . 14 1 1 A 50 50 PRO CA C 50 60.998 62.902 -1.904 1
1 573 . 14 1 1 A 50 50 PRO CB C 50 32.796 30.005 2.791 1
1 575 . 14 1 1 A 51 51 LYS H H 51 9.065 8.257 0.808 1
1 576 . 14 1 1 A 51 51 LYS HA H 51 4.870 4.071 0.799 1
1 581 . 14 1 1 A 51 51 LYS CA C 51 59.788 60.300 -0.512 1
1 582 . 14 1 1 A 51 51 LYS CB C 51 28.838 31.244 -2.406 1
1 583 . 14 1 1 A 51 51 LYS N N 51 125.299 123.142 2.157 1
1 584 . 14 1 1 A 52 52 PRO HA H 52 4.391 4.393 -0.002 1
1 591 . 14 1 1 A 52 52 PRO C C 52 181.184 178.994 2.190 1
1 592 . 14 1 1 A 52 52 PRO CA C 52 64.975 65.583 -0.608 1
1 593 . 14 1 1 A 52 52 PRO CB C 52 30.072 31.401 -1.329 1
1 595 . 14 1 1 A 53 53 PHE H H 53 7.144 7.768 -0.624 1
1 596 . 14 1 1 A 53 53 PHE HA H 53 3.875 4.059 -0.184 1
1 601 . 14 1 1 A 53 53 PHE C C 53 177.838 177.629 0.209 1
1 602 . 14 1 1 A 53 53 PHE CA C 53 60.265 61.575 -1.310 1
1 603 . 14 1 1 A 53 53 PHE CB C 53 37.091 39.447 -2.356 1
1 606 . 14 1 1 A 53 53 PHE N N 53 116.868 118.657 -1.789 1
1 607 . 14 1 1 A 54 54 GLU H H 54 7.788 8.473 -0.685 1
1 608 . 14 1 1 A 54 54 GLU HA H 54 3.997 3.850 0.147 1
1 613 . 14 1 1 A 54 54 GLU C C 54 180.998 178.804 2.194 1
1 614 . 14 1 1 A 54 54 GLU CA C 54 58.691 58.826 -0.135 1
1 615 . 14 1 1 A 54 54 GLU CB C 54 29.328 29.409 -0.081 1
1 617 . 14 1 1 A 54 54 GLU N N 54 120.523 119.184 1.339 1
1 618 . 14 1 1 A 55 55 ALA H H 55 8.379 7.919 0.460 1
1 619 . 14 1 1 A 55 55 ALA HA H 55 4.086 4.106 -0.020 1
1 623 . 14 1 1 A 55 55 ALA C C 55 180.899 179.184 1.715 1
1 624 . 14 1 1 A 55 55 ALA CA C 55 53.119 55.077 -1.958 1
1 625 . 14 1 1 A 55 55 ALA CB C 55 17.854 18.150 -0.296 1
1 626 . 14 1 1 A 55 55 ALA N N 55 119.006 121.817 -2.811 1
1 627 . 14 1 1 A 56 56 TRP H H 56 7.575 7.538 0.037 1
1 628 . 14 1 1 A 56 56 TRP HA H 56 4.616 4.341 0.275 1
1 634 . 14 1 1 A 56 56 TRP C C 56 179.334 177.926 1.408 1
1 635 . 14 1 1 A 56 56 TRP CA C 56 59.039 61.239 -2.200 1
1 636 . 14 1 1 A 56 56 TRP CB C 56 27.791 29.631 -1.840 1
1 639 . 14 1 1 A 56 56 TRP N N 56 119.770 120.395 -0.625 1
1 641 . 14 1 1 A 57 57 ILE H H 57 7.291 8.200 -0.909 1
1 642 . 14 1 1 A 57 57 ILE HA H 57 2.517 3.757 -1.240 1
1 651 . 14 1 1 A 57 57 ILE C C 57 177.768 177.492 0.276 1
1 652 . 14 1 1 A 57 57 ILE CA C 57 62.722 63.919 -1.197 1
1 653 . 14 1 1 A 57 57 ILE CB C 57 36.507 36.882 -0.375 1
1 657 . 14 1 1 A 57 57 ILE N N 57 117.374 118.504 -1.130 1
1 658 . 14 1 1 A 58 58 GLY H H 58 6.565 7.636 -1.071 1
1 659 . 14 1 1 A 58 58 GLY HA2 H 58 3.985 3.858 0.127 1
1 660 . 14 1 1 A 58 58 GLY HA3 H 58 4.069 3.942 0.127 1
1 661 . 14 1 1 A 58 58 GLY C C 58 178.787 175.551 3.236 1
1 662 . 14 1 1 A 58 58 GLY CA C 58 43.958 45.632 -1.674 1
1 663 . 14 1 1 A 58 58 GLY N N 58 110.422 109.570 0.852 1
1 664 . 14 1 1 A 59 59 THR H H 59 7.629 8.095 -0.466 1
1 665 . 14 1 1 A 59 59 THR HA H 59 4.554 3.889 0.665 1
1 670 . 14 1 1 A 59 59 THR CA C 59 60.466 65.282 -4.816 1
1 671 . 14 1 1 A 59 59 THR CB C 59 71.728 68.417 3.311 1
1 672 . 14 1 1 A 59 59 THR N N 59 111.600 117.483 -5.883 1
1 673 . 14 1 1 A 60 60 ALA H H 60 9.010 7.281 1.729 1
1 674 . 14 1 1 A 60 60 ALA HA H 60 4.917 4.449 0.468 1
1 678 . 14 1 1 A 60 60 ALA C C 60 182.933 178.476 4.457 1
1 679 . 14 1 1 A 60 60 ALA CA C 60 54.222 52.893 1.329 1
1 680 . 14 1 1 A 60 60 ALA CB C 60 18.122 20.708 -2.586 1
1 681 . 14 1 1 A 60 60 ALA N N 60 125.890 121.093 4.797 1
1 682 . 14 1 1 A 61 61 ALA H H 61 8.368 7.896 0.472 1
1 683 . 14 1 1 A 61 61 ALA HA H 61 4.256 4.052 0.204 1
1 687 . 14 1 1 A 61 61 ALA C C 61 182.536 179.266 3.270 1
1 688 . 14 1 1 A 61 61 ALA CA C 61 54.071 54.930 -0.859 1
1 689 . 14 1 1 A 61 61 ALA CB C 61 18.122 18.235 -0.113 1
1 690 . 14 1 1 A 61 61 ALA N N 61 121.272 120.651 0.621 1
1 691 . 14 1 1 A 62 62 TYR H H 62 7.310 8.261 -0.951 1
1 692 . 14 1 1 A 62 62 TYR HA H 62 3.381 4.073 -0.692 1
1 697 . 14 1 1 A 62 62 TYR C C 62 177.889 177.339 0.550 1
1 698 . 14 1 1 A 62 62 TYR CA C 62 60.203 61.694 -1.491 1
1 699 . 14 1 1 A 62 62 TYR CB C 62 36.771 38.608 -1.837 1
1 702 . 14 1 1 A 62 62 TYR N N 62 122.066 120.586 1.480 1
1 703 . 14 1 1 A 63 63 THR H H 63 8.303 8.332 -0.029 1
1 704 . 14 1 1 A 63 63 THR HA H 63 4.405 3.777 0.628 1
1 709 . 14 1 1 A 63 63 THR C C 63 178.200 177.274 0.926 1
1 710 . 14 1 1 A 63 63 THR CA C 63 65.547 65.534 0.013 1
1 711 . 14 1 1 A 63 63 THR CB C 63 67.470 68.668 -1.198 1
1 712 . 14 1 1 A 63 63 THR N N 63 117.473 114.165 3.308 1
1 713 . 14 1 1 A 64 64 ALA H H 64 7.931 7.607 0.324 1
1 714 . 14 1 1 A 64 64 ALA HA H 64 4.220 4.023 0.197 1
1 718 . 14 1 1 A 64 64 ALA C C 64 181.966 179.365 2.601 1
1 719 . 14 1 1 A 64 64 ALA CA C 64 53.966 54.858 -0.892 1
1 720 . 14 1 1 A 64 64 ALA CB C 64 17.432 18.393 -0.961 1
1 721 . 14 1 1 A 64 64 ALA N N 64 123.649 122.924 0.725 1
1 722 . 14 1 1 A 65 65 TRP H H 65 8.049 8.438 -0.389 1
1 723 . 14 1 1 A 65 65 TRP HA H 65 4.294 4.084 0.210 1
1 729 . 14 1 1 A 65 65 TRP C C 65 181.255 178.510 2.745 1
1 730 . 14 1 1 A 65 65 TRP CA C 65 61.458 61.364 0.094 1
1 731 . 14 1 1 A 65 65 TRP CB C 65 27.748 29.624 -1.876 1
1 734 . 14 1 1 A 65 65 TRP N N 65 121.372 120.252 1.120 1
1 736 . 14 1 1 A 66 66 LYS H H 66 9.624 8.515 1.109 1
1 737 . 14 1 1 A 66 66 LYS HA H 66 4.352 4.105 0.247 1
1 745 . 14 1 1 A 66 66 LYS C C 66 180.615 179.073 1.542 1
1 746 . 14 1 1 A 66 66 LYS CA C 66 56.030 59.634 -3.604 1
1 747 . 14 1 1 A 66 66 LYS CB C 66 30.842 31.817 -0.975 1
1 751 . 14 1 1 A 66 66 LYS N N 66 123.631 118.370 5.261 1
1 752 . 14 1 1 A 67 67 ALA H H 67 8.822 8.068 0.754 1
1 753 . 14 1 1 A 67 67 ALA HA H 67 4.027 3.998 0.029 1
1 757 . 14 1 1 A 67 67 ALA C C 67 180.899 179.792 1.107 1
1 758 . 14 1 1 A 67 67 ALA CA C 67 53.759 54.885 -1.126 1
1 759 . 14 1 1 A 67 67 ALA CB C 67 17.534 18.205 -0.671 1
1 760 . 14 1 1 A 67 67 ALA N N 67 120.803 122.224 -1.421 1
1 761 . 14 1 1 A 68 68 LYS H H 68 6.888 7.502 -0.614 1
1 762 . 14 1 1 A 68 68 LYS HA H 68 4.233 4.213 0.020 1
1 771 . 14 1 1 A 68 68 LYS C C 68 175.989 176.733 -0.744 1
1 772 . 14 1 1 A 68 68 LYS CA C 68 54.355 57.560 -3.205 1
1 773 . 14 1 1 A 68 68 LYS CB C 68 33.056 32.911 0.145 1
1 777 . 14 1 1 A 68 68 LYS N N 68 113.741 114.955 -1.214 1
1 778 . 14 1 1 A 69 69 HIS H H 69 7.111 8.007 -0.896 1
1 779 . 14 1 1 A 69 69 HIS HA H 69 4.768 4.922 -0.154 1
1 784 . 14 1 1 A 69 69 HIS CA C 69 52.654 53.702 -1.048 1
1 785 . 14 1 1 A 69 69 HIS CB C 69 27.381 32.686 -5.305 1
1 788 . 14 1 1 A 69 69 HIS N N 69 120.596 115.159 5.437 1
1 789 . 14 1 1 A 70 70 PRO HA H 70 4.230 4.356 -0.126 1
1 796 . 14 1 1 A 70 70 PRO C C 70 179.651 176.519 3.132 1
1 797 . 14 1 1 A 70 70 PRO CA C 70 64.184 66.029 -1.845 1
1 798 . 14 1 1 A 70 70 PRO CB C 70 30.854 31.625 -0.771 1
1 800 . 14 1 1 A 71 71 ASP H H 71 8.619 8.086 0.533 1
1 801 . 14 1 1 A 71 71 ASP HA H 71 4.917 4.944 -0.027 1
1 804 . 14 1 1 A 71 71 ASP C C 71 177.057 176.182 0.875 1
1 805 . 14 1 1 A 71 71 ASP CA C 71 52.975 52.624 0.351 1
1 806 . 14 1 1 A 71 71 ASP CB C 71 40.475 40.785 -0.310 1
1 807 . 14 1 1 A 71 71 ASP N N 71 116.294 116.474 -0.180 1
1 808 . 14 1 1 A 72 72 GLU H H 72 7.389 8.898 -1.509 1
1 809 . 14 1 1 A 72 72 GLU HA H 72 4.920 4.507 0.413 1
1 814 . 14 1 1 A 72 72 GLU C C 72 176.986 177.233 -0.247 1
1 815 . 14 1 1 A 72 72 GLU CA C 72 54.236 58.478 -4.242 1
1 816 . 14 1 1 A 72 72 GLU CB C 72 33.622 31.059 2.563 1
1 818 . 14 1 1 A 72 72 GLU N N 72 120.136 126.341 -6.205 1
1 819 . 14 1 1 A 73 73 LYS H H 73 9.155 7.766 1.389 1
1 820 . 14 1 1 A 73 73 LYS HA H 73 4.245 4.107 0.138 1
1 829 . 14 1 1 A 73 73 LYS C C 73 176.680 176.191 0.489 1
1 830 . 14 1 1 A 73 73 LYS CA C 73 57.999 56.182 1.817 1
1 831 . 14 1 1 A 73 73 LYS CB C 73 33.418 32.165 1.253 1
1 835 . 14 1 1 A 73 73 LYS N N 73 121.554 119.868 1.686 1
1 836 . 14 1 1 A 74 74 PHE H H 74 7.171 8.338 -1.167 1
1 837 . 14 1 1 A 74 74 PHE HA H 74 4.600 4.574 0.026 1
1 843 . 14 1 1 A 74 74 PHE CA C 74 55.159 57.424 -2.265 1
1 844 . 14 1 1 A 74 74 PHE CB C 74 40.451 40.358 0.093 1
1 848 . 14 1 1 A 74 74 PHE N N 74 111.944 127.116 -15.172 1
1 849 . 14 1 1 A 75 75 PRO HA H 75 4.640 4.250 0.390 1
1 856 . 14 1 1 A 75 75 PRO C C 75 176.914 174.682 2.232 1
1 857 . 14 1 1 A 75 75 PRO CA C 75 62.713 61.961 0.752 1
1 858 . 14 1 1 A 75 75 PRO CB C 75 30.073 28.759 1.314 1
1 860 . 14 1 1 A 76 76 ALA H H 76 9.039 8.530 0.509 1
1 861 . 14 1 1 A 76 76 ALA HA H 76 4.870 5.068 -0.198 1
1 865 . 14 1 1 A 76 76 ALA C C 76 179.974 177.250 2.724 1
1 866 . 14 1 1 A 76 76 ALA CA C 76 50.923 50.647 0.276 1
1 867 . 14 1 1 A 76 76 ALA CB C 76 18.130 20.733 -2.603 1
1 868 . 14 1 1 A 76 76 ALA N N 76 128.387 125.067 3.320 1
1 869 . 14 1 1 A 77 77 PHE H H 77 8.117 8.922 -0.805 1
1 870 . 14 1 1 A 77 77 PHE HA H 77 4.915 5.172 -0.257 1
1 875 . 14 1 1 A 77 77 PHE CA C 77 53.371 55.099 -1.728 1
1 876 . 14 1 1 A 77 77 PHE CB C 77 36.523 40.863 -4.340 1
1 878 . 14 1 1 A 77 77 PHE N N 77 125.115 119.542 5.573 1
1 879 . 14 1 1 A 78 78 PRO HA H 78 4.245 4.803 -0.558 1
1 886 . 14 1 1 A 78 78 PRO C C 78 176.487 175.864 0.623 1
1 887 . 14 1 1 A 78 78 PRO CA C 78 62.480 62.285 0.195 1
1 888 . 14 1 1 A 78 78 PRO CB C 78 30.324 31.597 -1.273 1
1 13 . 15 1 1 A 2 2 ASN H H 2 9.438 9.100 0.338 1
1 14 . 15 1 1 A 2 2 ASN HA H 2 5.912 4.652 1.260 1
1 19 . 15 1 1 A 2 2 ASN C C 2 175.436 175.991 -0.555 1
1 20 . 15 1 1 A 2 2 ASN CA C 2 54.299 56.451 -2.152 1
1 21 . 15 1 1 A 2 2 ASN CB C 2 38.092 38.850 -0.758 1
1 22 . 15 1 1 A 2 2 ASN N N 2 121.344 120.003 1.341 1
1 24 . 15 1 1 A 3 3 VAL H H 3 8.328 7.849 0.479 1
1 25 . 15 1 1 A 3 3 VAL HA H 3 4.161 4.867 -0.706 1
1 30 . 15 1 1 A 3 3 VAL C C 3 178.200 175.352 2.848 1
1 31 . 15 1 1 A 3 3 VAL CA C 3 61.577 60.757 0.820 1
1 32 . 15 1 1 A 3 3 VAL CB C 3 32.162 32.791 -0.629 1
1 34 . 15 1 1 A 3 3 VAL N N 3 122.195 119.033 3.162 1
1 35 . 15 1 1 A 4 4 LYS H H 4 8.474 8.431 0.043 1
1 36 . 15 1 1 A 4 4 LYS HA H 4 4.283 4.991 -0.708 1
1 44 . 15 1 1 A 4 4 LYS C C 4 177.509 175.283 2.226 1
1 45 . 15 1 1 A 4 4 LYS CA C 4 55.197 55.171 0.026 1
1 46 . 15 1 1 A 4 4 LYS CB C 4 30.194 36.265 -6.071 1
1 47 . 15 1 1 A 4 4 LYS N N 4 122.239 130.231 -7.992 1
1 48 . 15 1 1 A 5 5 GLN H H 5 8.507 8.594 -0.087 1
1 49 . 15 1 1 A 5 5 GLN HA H 5 4.383 4.372 0.011 1
1 56 . 15 1 1 A 5 5 GLN C C 5 177.440 176.454 0.986 1
1 57 . 15 1 1 A 5 5 GLN CA C 5 55.081 56.273 -1.192 1
1 58 . 15 1 1 A 5 5 GLN CB C 5 29.505 29.571 -0.066 1
1 60 . 15 1 1 A 5 5 GLN N N 5 123.847 126.383 -2.536 1
1 62 . 15 1 1 A 6 6 LYS H H 6 8.407 8.708 -0.301 1
1 63 . 15 1 1 A 6 6 LYS HA H 6 4.392 4.497 -0.105 1
1 72 . 15 1 1 A 6 6 LYS C C 6 178.373 175.735 2.638 1
1 73 . 15 1 1 A 6 6 LYS CA C 6 61.491 56.702 4.789 1
1 74 . 15 1 1 A 6 6 LYS CB C 6 31.993 33.388 -1.395 1
1 78 . 15 1 1 A 6 6 LYS N N 6 123.099 122.063 1.036 1
1 79 . 15 1 1 A 7 7 SER H H 7 8.516 8.638 -0.122 1
1 80 . 15 1 1 A 7 7 SER HA H 7 4.483 5.162 -0.679 1
1 83 . 15 1 1 A 7 7 SER C C 7 175.401 173.039 2.362 1
1 84 . 15 1 1 A 7 7 SER CA C 7 57.370 57.749 -0.379 1
1 85 . 15 1 1 A 7 7 SER CB C 7 62.979 65.286 -2.307 1
1 86 . 15 1 1 A 7 7 SER N N 7 117.184 115.851 1.333 1
1 87 . 15 1 1 A 8 8 GLU H H 8 8.548 9.117 -0.569 1
1 88 . 15 1 1 A 8 8 GLU HA H 8 4.397 5.221 -0.824 1
1 93 . 15 1 1 A 8 8 GLU C C 8 177.785 175.299 2.486 1
1 94 . 15 1 1 A 8 8 GLU CA C 8 55.856 55.335 0.521 1
1 95 . 15 1 1 A 8 8 GLU CB C 8 29.726 30.814 -1.088 1
1 97 . 15 1 1 A 8 8 GLU N N 8 123.697 125.157 -1.460 1
1 98 . 15 1 1 A 9 9 ILE H H 9 8.279 8.957 -0.678 1
1 99 . 15 1 1 A 9 9 ILE HA H 9 4.276 4.804 -0.528 1
1 109 . 15 1 1 A 9 9 ILE C C 9 177.958 175.692 2.266 1
1 110 . 15 1 1 A 9 9 ILE CA C 9 60.538 59.904 0.634 1
1 111 . 15 1 1 A 9 9 ILE CB C 9 37.725 41.469 -3.744 1
1 115 . 15 1 1 A 9 9 ILE N N 9 122.616 125.268 -2.652 1
1 116 . 15 1 1 A 10 10 THR H H 10 8.255 8.694 -0.439 1
1 117 . 15 1 1 A 10 10 THR HA H 10 4.592 4.442 0.150 1
1 122 . 15 1 1 A 10 10 THR C C 10 174.993 174.601 0.392 1
1 123 . 15 1 1 A 10 10 THR CA C 10 61.010 62.320 -1.310 1
1 124 . 15 1 1 A 10 10 THR CB C 10 68.505 69.578 -1.073 1
1 126 . 15 1 1 A 10 10 THR N N 10 119.401 121.538 -2.137 1
1 127 . 15 1 1 A 11 11 ALA H H 11 8.308 8.313 -0.005 1
1 128 . 15 1 1 A 11 11 ALA HA H 11 4.400 4.366 0.034 1
1 132 . 15 1 1 A 11 11 ALA C C 11 178.822 176.927 1.895 1
1 133 . 15 1 1 A 11 11 ALA CA C 11 51.438 52.613 -1.175 1
1 134 . 15 1 1 A 11 11 ALA CB C 11 18.303 19.348 -1.045 1
1 135 . 15 1 1 A 11 11 ALA N N 11 127.285 126.792 0.493 1
1 136 . 15 1 1 A 12 12 LEU H H 12 8.228 8.635 -0.407 1
1 137 . 15 1 1 A 12 12 LEU HA H 12 4.457 5.080 -0.623 1
1 147 . 15 1 1 A 12 12 LEU C C 12 178.787 175.545 3.242 1
1 148 . 15 1 1 A 12 12 LEU CA C 12 54.261 53.392 0.869 1
1 149 . 15 1 1 A 12 12 LEU CB C 12 41.457 46.532 -5.075 1
1 152 . 15 1 1 A 12 12 LEU N N 12 122.431 122.185 0.246 1
1 153 . 15 1 1 A 13 13 VAL H H 13 8.171 8.520 -0.349 1
1 154 . 15 1 1 A 13 13 VAL HA H 13 4.164 4.167 -0.003 1
1 159 . 15 1 1 A 13 13 VAL C C 13 177.412 175.852 1.560 1
1 160 . 15 1 1 A 13 13 VAL CA C 13 61.489 62.263 -0.774 1
1 161 . 15 1 1 A 13 13 VAL CB C 13 31.791 32.764 -0.973 1
1 163 . 15 1 1 A 13 13 VAL N N 13 122.619 122.040 0.579 1
1 164 . 15 1 1 A 14 14 LYS H H 14 8.459 8.388 0.071 1
1 165 . 15 1 1 A 14 14 LYS HA H 14 4.375 4.162 0.213 1
1 174 . 15 1 1 A 14 14 LYS C C 14 177.509 176.006 1.503 1
1 175 . 15 1 1 A 14 14 LYS CA C 14 55.532 56.326 -0.794 1
1 176 . 15 1 1 A 14 14 LYS CB C 14 32.114 32.864 -0.750 1
1 180 . 15 1 1 A 14 14 LYS N N 14 125.566 122.588 2.978 1
1 181 . 15 1 1 A 15 15 GLU H H 15 8.434 8.700 -0.266 1
1 182 . 15 1 1 A 15 15 GLU HA H 15 4.380 4.671 -0.291 1
1 187 . 15 1 1 A 15 15 GLU C C 15 177.440 175.771 1.669 1
1 188 . 15 1 1 A 15 15 GLU CA C 15 55.302 56.316 -1.014 1
1 189 . 15 1 1 A 15 15 GLU CB C 15 29.616 30.435 -0.819 1
1 190 . 15 1 1 A 15 15 GLU N N 15 123.950 122.318 1.632 1
1 191 . 15 1 1 A 16 16 VAL H H 16 8.326 8.642 -0.316 1
1 192 . 15 1 1 A 16 16 VAL HA H 16 4.205 4.714 -0.509 1
1 197 . 15 1 1 A 16 16 VAL CA C 16 61.613 60.354 1.259 1
1 198 . 15 1 1 A 16 16 VAL CB C 16 32.231 35.538 -3.307 1
1 199 . 15 1 1 A 16 16 VAL N N 16 123.175 124.003 -0.828 1
1 200 . 15 1 1 A 17 17 THR H H 17 8.171 8.996 -0.825 1
1 201 . 15 1 1 A 17 17 THR HA H 17 4.470 4.209 0.261 1
1 206 . 15 1 1 A 17 17 THR CA C 17 57.893 67.405 -9.512 1
1 207 . 15 1 1 A 17 17 THR CB C 17 70.047 67.683 2.364 1
1 208 . 15 1 1 A 17 17 THR N N 17 119.533 119.505 0.028 1
1 209 . 15 1 1 A 19 19 PRO HA H 19 4.355 4.796 -0.441 1
1 212 . 15 1 1 A 19 19 PRO C C 19 177.057 175.281 1.776 1
1 213 . 15 1 1 A 19 19 PRO CA C 19 61.531 62.499 -0.968 1
1 214 . 15 1 1 A 19 19 PRO CB C 19 31.869 29.527 2.342 1
1 215 . 15 1 1 A 20 20 ARG H H 20 8.435 8.663 -0.228 1
1 216 . 15 1 1 A 20 20 ARG HA H 20 4.391 4.755 -0.364 1
1 223 . 15 1 1 A 20 20 ARG C C 20 177.509 174.032 3.477 1
1 224 . 15 1 1 A 20 20 ARG CA C 20 55.300 55.274 0.026 1
1 225 . 15 1 1 A 20 20 ARG CB C 20 32.492 33.468 -0.976 1
1 228 . 15 1 1 A 20 20 ARG N N 20 126.489 124.044 2.445 1
1 229 . 15 1 1 A 21 21 LYS H H 21 8.426 8.917 -0.491 1
1 230 . 15 1 1 A 21 21 LYS HA H 21 4.397 5.024 -0.627 1
1 239 . 15 1 1 A 21 21 LYS C C 21 177.412 175.289 2.123 1
1 240 . 15 1 1 A 21 21 LYS CA C 21 55.296 54.704 0.592 1
1 241 . 15 1 1 A 21 21 LYS CB C 21 29.837 35.258 -5.421 1
1 244 . 15 1 1 A 21 21 LYS N N 21 123.626 126.624 -2.998 1
1 245 . 15 1 1 A 22 22 ALA H H 22 8.378 9.031 -0.653 1
1 246 . 15 1 1 A 22 22 ALA HA H 22 4.628 4.931 -0.303 1
1 250 . 15 1 1 A 22 22 ALA CA C 22 49.376 49.636 -0.260 1
1 251 . 15 1 1 A 22 22 ALA CB C 22 17.501 20.987 -3.486 1
1 252 . 15 1 1 A 22 22 ALA N N 22 127.197 127.686 -0.489 1
1 253 . 15 1 1 A 23 23 PRO HA H 23 4.219 4.772 -0.553 1
1 257 . 15 1 1 A 23 23 PRO C C 23 177.440 175.911 1.529 1
1 258 . 15 1 1 A 23 23 PRO CA C 23 61.724 62.211 -0.487 1
1 259 . 15 1 1 A 23 23 PRO CB C 23 32.162 29.041 3.121 1
1 260 . 15 1 1 A 24 24 SER H H 24 8.425 8.423 0.002 1
1 261 . 15 1 1 A 24 24 SER HA H 24 4.344 4.565 -0.221 1
1 264 . 15 1 1 A 24 24 SER C C 24 175.610 174.474 1.136 1
1 265 . 15 1 1 A 24 24 SER CA C 24 58.845 57.395 1.450 1
1 266 . 15 1 1 A 24 24 SER CB C 24 68.920 63.749 5.171 1
1 267 . 15 1 1 A 24 24 SER N N 24 122.433 115.078 7.355 1
1 268 . 15 1 1 A 25 25 LYS H H 25 8.323 8.553 -0.230 1
1 269 . 15 1 1 A 25 25 LYS HA H 25 4.137 4.494 -0.357 1
1 276 . 15 1 1 A 25 25 LYS C C 25 177.462 175.026 2.436 1
1 277 . 15 1 1 A 25 25 LYS CA C 25 55.504 55.705 -0.201 1
1 278 . 15 1 1 A 25 25 LYS CB C 25 32.155 31.386 0.769 1
1 281 . 15 1 1 A 25 25 LYS N N 25 121.718 124.336 -2.618 1
1 282 . 15 1 1 A 26 26 ALA H H 26 8.333 8.500 -0.167 1
1 283 . 15 1 1 A 26 26 ALA HA H 26 4.334 5.673 -1.339 1
1 287 . 15 1 1 A 26 26 ALA CA C 26 51.512 50.386 1.126 1
1 288 . 15 1 1 A 26 26 ALA CB C 26 18.486 21.031 -2.545 1
1 289 . 15 1 1 A 26 26 ALA N N 26 125.817 128.407 -2.590 1
1 290 . 15 1 1 A 27 27 LYS H H 27 8.347 9.009 -0.662 1
1 291 . 15 1 1 A 27 27 LYS HA H 27 4.354 5.083 -0.729 1
1 300 . 15 1 1 A 27 27 LYS C C 27 177.923 175.603 2.320 1
1 301 . 15 1 1 A 27 27 LYS CA C 27 55.413 54.808 0.605 1
1 302 . 15 1 1 A 27 27 LYS CB C 27 32.162 35.729 -3.567 1
1 306 . 15 1 1 A 27 27 LYS N N 27 121.810 122.664 -0.854 1
1 307 . 15 1 1 A 28 28 ARG H H 28 8.440 8.386 0.054 1
1 308 . 15 1 1 A 28 28 ARG HA H 28 4.672 5.234 -0.562 1
1 315 . 15 1 1 A 28 28 ARG C C 28 177.474 175.216 2.258 1
1 316 . 15 1 1 A 28 28 ARG CA C 28 55.140 54.729 0.411 1
1 317 . 15 1 1 A 28 28 ARG CB C 28 28.508 31.862 -3.354 1
1 318 . 15 1 1 A 28 28 ARG N N 28 122.679 123.966 -1.287 1
1 319 . 15 1 1 A 29 29 GLU H H 29 8.470 8.355 0.115 1
1 320 . 15 1 1 A 29 29 GLU HA H 29 4.391 5.164 -0.773 1
1 325 . 15 1 1 A 29 29 GLU C C 29 177.057 175.214 1.843 1
1 326 . 15 1 1 A 29 29 GLU CA C 29 55.634 54.586 1.048 1
1 327 . 15 1 1 A 29 29 GLU CB C 29 32.461 34.092 -1.631 1
1 329 . 15 1 1 A 29 29 GLU N N 29 124.395 122.990 1.405 1
1 330 . 15 1 1 A 30 30 ALA H H 30 8.485 8.648 -0.163 1
1 331 . 15 1 1 A 30 30 ALA HA H 30 4.652 4.668 -0.016 1
1 335 . 15 1 1 A 30 30 ALA CA C 30 49.523 49.978 -0.455 1
1 336 . 15 1 1 A 30 30 ALA CB C 30 17.328 19.706 -2.378 1
1 337 . 15 1 1 A 30 30 ALA N N 30 128.118 125.643 2.475 1
1 338 . 15 1 1 A 31 31 PRO HA H 31 4.440 4.516 -0.076 1
1 345 . 15 1 1 A 31 31 PRO C C 31 177.612 176.102 1.510 1
1 346 . 15 1 1 A 31 31 PRO CA C 31 61.605 65.241 -3.636 1
1 347 . 15 1 1 A 31 31 PRO CB C 31 31.616 32.113 -0.497 1
1 348 . 15 1 1 A 32 32 ILE H H 32 8.202 7.815 0.387 1
1 349 . 15 1 1 A 32 32 ILE HA H 32 3.503 4.810 -1.307 1
1 359 . 15 1 1 A 32 32 ILE C C 32 176.061 176.381 -0.320 1
1 360 . 15 1 1 A 32 32 ILE CA C 32 60.929 58.748 2.181 1
1 361 . 15 1 1 A 32 32 ILE CB C 32 37.219 41.245 -4.026 1
1 365 . 15 1 1 A 32 32 ILE N N 32 121.270 114.799 6.471 1
1 366 . 15 1 1 A 33 33 LYS H H 33 7.434 8.911 -1.477 1
1 367 . 15 1 1 A 33 33 LYS HA H 33 4.370 4.311 0.059 1
1 376 . 15 1 1 A 33 33 LYS C C 33 176.960 177.281 -0.321 1
1 377 . 15 1 1 A 33 33 LYS CA C 33 56.553 59.166 -2.613 1
1 378 . 15 1 1 A 33 33 LYS CB C 33 35.043 32.258 2.785 1
1 382 . 15 1 1 A 33 33 LYS N N 33 126.133 124.248 1.885 1
1 383 . 15 1 1 A 34 34 TYR H H 34 7.974 8.519 -0.545 1
1 384 . 15 1 1 A 34 34 TYR HA H 34 4.551 4.243 0.308 1
1 389 . 15 1 1 A 34 34 TYR CA C 34 57.337 61.611 -4.274 1
1 390 . 15 1 1 A 34 34 TYR CB C 34 38.051 38.495 -0.444 1
1 393 . 15 1 1 A 34 34 TYR N N 34 121.936 120.463 1.473 1
1 394 . 15 1 1 A 35 35 TRP H H 35 7.912 8.023 -0.111 1
1 395 . 15 1 1 A 35 35 TRP HA H 35 4.687 4.463 0.224 1
1 403 . 15 1 1 A 35 35 TRP C C 35 171.862 175.781 -3.919 1
1 404 . 15 1 1 A 35 35 TRP CA C 35 56.720 60.158 -3.438 1
1 405 . 15 1 1 A 35 35 TRP CB C 35 28.638 30.970 -2.332 1
1 410 . 15 1 1 A 35 35 TRP N N 35 122.844 121.800 1.044 1
1 412 . 15 1 1 A 36 36 LEU H H 36 7.598 7.954 -0.356 1
1 413 . 15 1 1 A 36 36 LEU HA H 36 4.028 4.806 -0.778 1
1 423 . 15 1 1 A 36 36 LEU CA C 36 47.586 51.348 -3.762 1
1 424 . 15 1 1 A 36 36 LEU CB C 36 39.448 44.578 -5.130 1
1 428 . 15 1 1 A 36 36 LEU N N 36 117.117 117.894 -0.777 1
1 429 . 15 1 1 A 37 37 PRO HA H 37 4.340 4.490 -0.150 1
1 436 . 15 1 1 A 37 37 PRO C C 37 175.850 176.078 -0.228 1
1 437 . 15 1 1 A 37 37 PRO CA C 37 62.513 64.323 -1.810 1
1 438 . 15 1 1 A 37 37 PRO CB C 37 31.510 31.780 -0.270 1
1 439 . 15 1 1 A 38 38 HIS H H 38 7.704 7.759 -0.055 1
1 440 . 15 1 1 A 38 38 HIS HA H 38 4.366 5.009 -0.643 1
1 445 . 15 1 1 A 38 38 HIS C C 38 176.772 173.409 3.363 1
1 446 . 15 1 1 A 38 38 HIS CA C 38 56.604 54.772 1.832 1
1 447 . 15 1 1 A 38 38 HIS CB C 38 28.736 32.805 -4.069 1
1 450 . 15 1 1 A 38 38 HIS N N 38 111.845 117.010 -5.165 1
1 451 . 15 1 1 A 39 39 SER H H 39 6.451 8.848 -2.397 1
1 452 . 15 1 1 A 39 39 SER HA H 39 4.620 4.885 -0.265 1
1 455 . 15 1 1 A 39 39 SER C C 39 176.576 173.883 2.693 1
1 456 . 15 1 1 A 39 39 SER CA C 39 56.604 57.892 -1.288 1
1 457 . 15 1 1 A 39 39 SER CB C 39 65.579 62.595 2.984 1
1 458 . 15 1 1 A 39 39 SER N N 39 113.386 125.581 -12.195 1
1 459 . 15 1 1 A 40 40 GLY H H 40 8.420 8.435 -0.015 1
1 460 . 15 1 1 A 40 40 GLY HA2 H 40 4.346 4.219 0.127 1
1 461 . 15 1 1 A 40 40 GLY HA3 H 40 3.741 4.249 -0.508 1
1 462 . 15 1 1 A 40 40 GLY C C 40 176.997 173.077 3.920 1
1 463 . 15 1 1 A 40 40 GLY CA C 40 44.153 45.528 -1.375 1
1 464 . 15 1 1 A 40 40 GLY N N 40 113.160 112.886 0.274 1
1 465 . 15 1 1 A 41 41 ALA H H 41 7.187 9.000 -1.813 1
1 466 . 15 1 1 A 41 41 ALA HA H 41 4.397 5.221 -0.824 1
1 470 . 15 1 1 A 41 41 ALA C C 41 177.989 175.778 2.211 1
1 471 . 15 1 1 A 41 41 ALA CA C 41 51.533 50.876 0.657 1
1 472 . 15 1 1 A 41 41 ALA CB C 41 17.990 21.139 -3.149 1
1 473 . 15 1 1 A 41 41 ALA N N 41 123.786 126.838 -3.052 1
1 474 . 15 1 1 A 42 42 THR H H 42 8.358 8.860 -0.502 1
1 475 . 15 1 1 A 42 42 THR HA H 42 5.612 4.924 0.688 1
1 480 . 15 1 1 A 42 42 THR C C 42 175.505 173.280 2.225 1
1 481 . 15 1 1 A 42 42 THR CA C 42 58.816 61.102 -2.286 1
1 482 . 15 1 1 A 42 42 THR CB C 42 71.944 69.439 2.505 1
1 484 . 15 1 1 A 42 42 THR N N 42 108.609 119.015 -10.406 1
1 485 . 15 1 1 A 43 43 TRP H H 43 8.625 9.141 -0.516 1
1 486 . 15 1 1 A 43 43 TRP HA H 43 5.338 5.437 -0.099 1
1 494 . 15 1 1 A 43 43 TRP C C 43 177.892 174.736 3.156 1
1 495 . 15 1 1 A 43 43 TRP CA C 43 54.345 54.978 -0.633 1
1 496 . 15 1 1 A 43 43 TRP CB C 43 31.571 31.458 0.113 1
1 501 . 15 1 1 A 43 43 TRP N N 43 117.778 132.425 -14.647 1
1 503 . 15 1 1 A 44 44 SER H H 44 8.451 9.096 -0.645 1
1 504 . 15 1 1 A 44 44 SER HA H 44 4.498 4.907 -0.409 1
1 507 . 15 1 1 A 44 44 SER C C 44 175.850 174.087 1.763 1
1 508 . 15 1 1 A 44 44 SER CA C 44 57.363 57.231 0.132 1
1 509 . 15 1 1 A 44 44 SER CB C 44 62.550 63.779 -1.229 1
1 510 . 15 1 1 A 44 44 SER N N 44 117.818 124.093 -6.275 1
1 511 . 15 1 1 A 45 45 GLY H H 45 7.513 8.117 -0.604 1
1 512 . 15 1 1 A 45 45 GLY HA2 H 45 4.344 4.243 0.101 1
1 513 . 15 1 1 A 45 45 GLY HA3 H 45 3.775 4.327 -0.552 1
1 514 . 15 1 1 A 45 45 GLY C C 45 172.858 173.690 -0.832 1
1 515 . 15 1 1 A 45 45 GLY CA C 45 44.312 46.142 -1.830 1
1 516 . 15 1 1 A 45 45 GLY N N 45 111.146 113.580 -2.434 1
1 517 . 15 1 1 A 46 46 ARG H H 46 8.534 7.913 0.621 1
1 518 . 15 1 1 A 46 46 ARG HA H 46 4.632 4.256 0.376 1
1 525 . 15 1 1 A 46 46 ARG C C 46 177.983 175.937 2.046 1
1 526 . 15 1 1 A 46 46 ARG CA C 46 53.530 55.223 -1.693 1
1 527 . 15 1 1 A 46 46 ARG CB C 46 31.064 30.914 0.150 1
1 530 . 15 1 1 A 46 46 ARG N N 46 120.921 123.211 -2.290 1
1 531 . 15 1 1 A 47 47 GLY H H 47 8.864 8.566 0.298 1
1 532 . 15 1 1 A 47 47 GLY HA2 H 47 3.919 3.739 0.180 1
1 533 . 15 1 1 A 47 47 GLY HA3 H 47 4.336 3.761 0.575 1
1 534 . 15 1 1 A 47 47 GLY C C 47 177.440 174.033 3.407 1
1 535 . 15 1 1 A 47 47 GLY CA C 47 44.060 47.001 -2.941 1
1 536 . 15 1 1 A 47 47 GLY N N 47 111.872 112.225 -0.353 1
1 537 . 15 1 1 A 48 48 LYS H H 48 7.752 7.693 0.059 1
1 538 . 15 1 1 A 48 48 LYS HA H 48 4.274 4.436 -0.162 1
1 547 . 15 1 1 A 48 48 LYS C C 48 178.053 175.640 2.413 1
1 548 . 15 1 1 A 48 48 LYS CA C 48 55.302 55.688 -0.386 1
1 549 . 15 1 1 A 48 48 LYS CB C 48 32.162 32.531 -0.369 1
1 550 . 15 1 1 A 48 48 LYS N N 48 125.971 120.388 5.583 1
1 551 . 15 1 1 A 49 49 ILE H H 49 8.236 8.583 -0.347 1
1 552 . 15 1 1 A 49 49 ILE HA H 49 2.797 4.578 -1.781 1
1 562 . 15 1 1 A 49 49 ILE CA C 49 58.222 57.741 0.481 1
1 563 . 15 1 1 A 49 49 ILE CB C 49 37.578 40.290 -2.712 1
1 567 . 15 1 1 A 49 49 ILE N N 49 126.182 125.046 1.136 1
1 568 . 15 1 1 A 50 50 PRO HA H 50 4.344 4.590 -0.246 1
1 571 . 15 1 1 A 50 50 PRO C C 50 178.547 176.555 1.992 1
1 572 . 15 1 1 A 50 50 PRO CA C 50 60.998 63.482 -2.484 1
1 573 . 15 1 1 A 50 50 PRO CB C 50 32.796 31.198 1.598 1
1 575 . 15 1 1 A 51 51 LYS H H 51 9.065 8.335 0.730 1
1 576 . 15 1 1 A 51 51 LYS HA H 51 4.870 4.032 0.838 1
1 581 . 15 1 1 A 51 51 LYS CA C 51 59.788 60.059 -0.271 1
1 582 . 15 1 1 A 51 51 LYS CB C 51 28.838 31.125 -2.287 1
1 583 . 15 1 1 A 51 51 LYS N N 51 125.299 120.574 4.725 1
1 584 . 15 1 1 A 52 52 PRO HA H 52 4.391 4.409 -0.018 1
1 591 . 15 1 1 A 52 52 PRO C C 52 181.184 178.999 2.185 1
1 592 . 15 1 1 A 52 52 PRO CA C 52 64.975 65.593 -0.618 1
1 593 . 15 1 1 A 52 52 PRO CB C 52 30.072 31.320 -1.248 1
1 595 . 15 1 1 A 53 53 PHE H H 53 7.144 7.644 -0.500 1
1 596 . 15 1 1 A 53 53 PHE HA H 53 3.875 4.014 -0.139 1
1 601 . 15 1 1 A 53 53 PHE C C 53 177.838 177.756 0.082 1
1 602 . 15 1 1 A 53 53 PHE CA C 53 60.265 61.479 -1.214 1
1 603 . 15 1 1 A 53 53 PHE CB C 53 37.091 39.305 -2.214 1
1 606 . 15 1 1 A 53 53 PHE N N 53 116.868 118.572 -1.704 1
1 607 . 15 1 1 A 54 54 GLU H H 54 7.788 8.635 -0.847 1
1 608 . 15 1 1 A 54 54 GLU HA H 54 3.997 3.804 0.193 1
1 613 . 15 1 1 A 54 54 GLU C C 54 180.998 178.574 2.424 1
1 614 . 15 1 1 A 54 54 GLU CA C 54 58.691 59.415 -0.724 1
1 615 . 15 1 1 A 54 54 GLU CB C 54 29.328 29.319 0.009 1
1 617 . 15 1 1 A 54 54 GLU N N 54 120.523 119.210 1.313 1
1 618 . 15 1 1 A 55 55 ALA H H 55 8.379 7.886 0.493 1
1 619 . 15 1 1 A 55 55 ALA HA H 55 4.086 4.165 -0.079 1
1 623 . 15 1 1 A 55 55 ALA C C 55 180.899 179.214 1.685 1
1 624 . 15 1 1 A 55 55 ALA CA C 55 53.119 55.092 -1.973 1
1 625 . 15 1 1 A 55 55 ALA CB C 55 17.854 18.115 -0.261 1
1 626 . 15 1 1 A 55 55 ALA N N 55 119.006 121.247 -2.241 1
1 627 . 15 1 1 A 56 56 TRP H H 56 7.575 7.879 -0.304 1
1 628 . 15 1 1 A 56 56 TRP HA H 56 4.616 4.262 0.354 1
1 634 . 15 1 1 A 56 56 TRP C C 56 179.334 177.910 1.424 1
1 635 . 15 1 1 A 56 56 TRP CA C 56 59.039 61.370 -2.331 1
1 636 . 15 1 1 A 56 56 TRP CB C 56 27.791 29.649 -1.858 1
1 639 . 15 1 1 A 56 56 TRP N N 56 119.770 120.169 -0.399 1
1 641 . 15 1 1 A 57 57 ILE H H 57 7.291 8.269 -0.978 1
1 642 . 15 1 1 A 57 57 ILE HA H 57 2.517 3.934 -1.417 1
1 651 . 15 1 1 A 57 57 ILE C C 57 177.768 177.389 0.379 1
1 652 . 15 1 1 A 57 57 ILE CA C 57 62.722 63.612 -0.890 1
1 653 . 15 1 1 A 57 57 ILE CB C 57 36.507 36.916 -0.409 1
1 657 . 15 1 1 A 57 57 ILE N N 57 117.374 118.448 -1.074 1
1 658 . 15 1 1 A 58 58 GLY H H 58 6.565 7.722 -1.157 1
1 659 . 15 1 1 A 58 58 GLY HA2 H 58 3.985 3.887 0.098 1
1 660 . 15 1 1 A 58 58 GLY HA3 H 58 4.069 4.001 0.068 1
1 661 . 15 1 1 A 58 58 GLY C C 58 178.787 175.676 3.111 1
1 662 . 15 1 1 A 58 58 GLY CA C 58 43.958 45.620 -1.662 1
1 663 . 15 1 1 A 58 58 GLY N N 58 110.422 110.016 0.406 1
1 664 . 15 1 1 A 59 59 THR H H 59 7.629 8.076 -0.447 1
1 665 . 15 1 1 A 59 59 THR HA H 59 4.554 3.833 0.721 1
1 670 . 15 1 1 A 59 59 THR CA C 59 60.466 65.386 -4.920 1
1 671 . 15 1 1 A 59 59 THR CB C 59 71.728 68.360 3.368 1
1 672 . 15 1 1 A 59 59 THR N N 59 111.600 117.529 -5.929 1
1 673 . 15 1 1 A 60 60 ALA H H 60 9.010 7.431 1.579 1
1 674 . 15 1 1 A 60 60 ALA HA H 60 4.917 4.529 0.388 1
1 678 . 15 1 1 A 60 60 ALA C C 60 182.933 178.595 4.338 1
1 679 . 15 1 1 A 60 60 ALA CA C 60 54.222 53.057 1.165 1
1 680 . 15 1 1 A 60 60 ALA CB C 60 18.122 20.949 -2.827 1
1 681 . 15 1 1 A 60 60 ALA N N 60 125.890 120.526 5.364 1
1 682 . 15 1 1 A 61 61 ALA H H 61 8.368 8.126 0.242 1
1 683 . 15 1 1 A 61 61 ALA HA H 61 4.256 4.112 0.144 1
1 687 . 15 1 1 A 61 61 ALA C C 61 182.536 179.263 3.273 1
1 688 . 15 1 1 A 61 61 ALA CA C 61 54.071 55.169 -1.098 1
1 689 . 15 1 1 A 61 61 ALA CB C 61 18.122 18.233 -0.111 1
1 690 . 15 1 1 A 61 61 ALA N N 61 121.272 120.762 0.510 1
1 691 . 15 1 1 A 62 62 TYR H H 62 7.310 8.388 -1.078 1
1 692 . 15 1 1 A 62 62 TYR HA H 62 3.381 4.117 -0.736 1
1 697 . 15 1 1 A 62 62 TYR C C 62 177.889 177.267 0.622 1
1 698 . 15 1 1 A 62 62 TYR CA C 62 60.203 61.850 -1.647 1
1 699 . 15 1 1 A 62 62 TYR CB C 62 36.771 38.684 -1.913 1
1 702 . 15 1 1 A 62 62 TYR N N 62 122.066 120.592 1.474 1
1 703 . 15 1 1 A 63 63 THR H H 63 8.303 7.905 0.398 1
1 704 . 15 1 1 A 63 63 THR HA H 63 4.405 3.772 0.633 1
1 709 . 15 1 1 A 63 63 THR C C 63 178.200 177.138 1.062 1
1 710 . 15 1 1 A 63 63 THR CA C 63 65.547 65.635 -0.088 1
1 711 . 15 1 1 A 63 63 THR CB C 63 67.470 68.708 -1.238 1
1 712 . 15 1 1 A 63 63 THR N N 63 117.473 114.334 3.139 1
1 713 . 15 1 1 A 64 64 ALA H H 64 7.931 7.602 0.329 1
1 714 . 15 1 1 A 64 64 ALA HA H 64 4.220 4.059 0.161 1
1 718 . 15 1 1 A 64 64 ALA C C 64 181.966 179.458 2.508 1
1 719 . 15 1 1 A 64 64 ALA CA C 64 53.966 54.859 -0.893 1
1 720 . 15 1 1 A 64 64 ALA CB C 64 17.432 18.371 -0.939 1
1 721 . 15 1 1 A 64 64 ALA N N 64 123.649 122.864 0.785 1
1 722 . 15 1 1 A 65 65 TRP H H 65 8.049 8.473 -0.424 1
1 723 . 15 1 1 A 65 65 TRP HA H 65 4.294 4.129 0.165 1
1 729 . 15 1 1 A 65 65 TRP C C 65 181.255 178.666 2.589 1
1 730 . 15 1 1 A 65 65 TRP CA C 65 61.458 61.402 0.056 1
1 731 . 15 1 1 A 65 65 TRP CB C 65 27.748 29.709 -1.961 1
1 734 . 15 1 1 A 65 65 TRP N N 65 121.372 120.283 1.089 1
1 736 . 15 1 1 A 66 66 LYS H H 66 9.624 8.492 1.132 1
1 737 . 15 1 1 A 66 66 LYS HA H 66 4.352 4.080 0.272 1
1 745 . 15 1 1 A 66 66 LYS C C 66 180.615 179.155 1.460 1
1 746 . 15 1 1 A 66 66 LYS CA C 66 56.030 59.602 -3.572 1
1 747 . 15 1 1 A 66 66 LYS CB C 66 30.842 31.829 -0.987 1
1 751 . 15 1 1 A 66 66 LYS N N 66 123.631 118.632 4.999 1
1 752 . 15 1 1 A 67 67 ALA H H 67 8.822 8.116 0.706 1
1 753 . 15 1 1 A 67 67 ALA HA H 67 4.027 3.972 0.055 1
1 757 . 15 1 1 A 67 67 ALA C C 67 180.899 179.958 0.941 1
1 758 . 15 1 1 A 67 67 ALA CA C 67 53.759 54.683 -0.924 1
1 759 . 15 1 1 A 67 67 ALA CB C 67 17.534 18.239 -0.705 1
1 760 . 15 1 1 A 67 67 ALA N N 67 120.803 121.921 -1.118 1
1 761 . 15 1 1 A 68 68 LYS H H 68 6.888 7.448 -0.560 1
1 762 . 15 1 1 A 68 68 LYS HA H 68 4.233 4.241 -0.008 1
1 771 . 15 1 1 A 68 68 LYS C C 68 175.989 176.697 -0.708 1
1 772 . 15 1 1 A 68 68 LYS CA C 68 54.355 57.586 -3.231 1
1 773 . 15 1 1 A 68 68 LYS CB C 68 33.056 33.061 -0.005 1
1 777 . 15 1 1 A 68 68 LYS N N 68 113.741 114.792 -1.051 1
1 778 . 15 1 1 A 69 69 HIS H H 69 7.111 7.940 -0.829 1
1 779 . 15 1 1 A 69 69 HIS HA H 69 4.768 4.953 -0.185 1
1 784 . 15 1 1 A 69 69 HIS CA C 69 52.654 53.753 -1.099 1
1 785 . 15 1 1 A 69 69 HIS CB C 69 27.381 32.814 -5.433 1
1 788 . 15 1 1 A 69 69 HIS N N 69 120.596 115.012 5.584 1
1 789 . 15 1 1 A 70 70 PRO HA H 70 4.230 4.325 -0.095 1
1 796 . 15 1 1 A 70 70 PRO C C 70 179.651 176.804 2.847 1
1 797 . 15 1 1 A 70 70 PRO CA C 70 64.184 65.948 -1.764 1
1 798 . 15 1 1 A 70 70 PRO CB C 70 30.854 31.509 -0.655 1
1 800 . 15 1 1 A 71 71 ASP H H 71 8.619 8.203 0.416 1
1 801 . 15 1 1 A 71 71 ASP HA H 71 4.917 5.110 -0.193 1
1 804 . 15 1 1 A 71 71 ASP C C 71 177.057 176.451 0.606 1
1 805 . 15 1 1 A 71 71 ASP CA C 71 52.975 53.192 -0.217 1
1 806 . 15 1 1 A 71 71 ASP CB C 71 40.475 41.280 -0.805 1
1 807 . 15 1 1 A 71 71 ASP N N 71 116.294 117.523 -1.229 1
1 808 . 15 1 1 A 72 72 GLU H H 72 7.389 8.655 -1.266 1
1 809 . 15 1 1 A 72 72 GLU HA H 72 4.920 4.430 0.490 1
1 814 . 15 1 1 A 72 72 GLU C C 72 176.986 177.128 -0.142 1
1 815 . 15 1 1 A 72 72 GLU CA C 72 54.236 58.988 -4.752 1
1 816 . 15 1 1 A 72 72 GLU CB C 72 33.622 30.954 2.668 1
1 818 . 15 1 1 A 72 72 GLU N N 72 120.136 124.729 -4.593 1
1 819 . 15 1 1 A 73 73 LYS H H 73 9.155 7.902 1.253 1
1 820 . 15 1 1 A 73 73 LYS HA H 73 4.245 4.189 0.056 1
1 829 . 15 1 1 A 73 73 LYS C C 73 176.680 176.230 0.450 1
1 830 . 15 1 1 A 73 73 LYS CA C 73 57.999 56.235 1.764 1
1 831 . 15 1 1 A 73 73 LYS CB C 73 33.418 32.374 1.044 1
1 835 . 15 1 1 A 73 73 LYS N N 73 121.554 120.571 0.983 1
1 836 . 15 1 1 A 74 74 PHE H H 74 7.171 8.614 -1.443 1
1 837 . 15 1 1 A 74 74 PHE HA H 74 4.600 4.568 0.032 1
1 843 . 15 1 1 A 74 74 PHE CA C 74 55.159 57.379 -2.220 1
1 844 . 15 1 1 A 74 74 PHE CB C 74 40.451 40.324 0.127 1
1 848 . 15 1 1 A 74 74 PHE N N 74 111.944 127.152 -15.208 1
1 849 . 15 1 1 A 75 75 PRO HA H 75 4.640 4.186 0.454 1
1 856 . 15 1 1 A 75 75 PRO C C 75 176.914 174.599 2.315 1
1 857 . 15 1 1 A 75 75 PRO CA C 75 62.713 61.894 0.819 1
1 858 . 15 1 1 A 75 75 PRO CB C 75 30.073 28.596 1.477 1
1 860 . 15 1 1 A 76 76 ALA H H 76 9.039 8.503 0.536 1
1 861 . 15 1 1 A 76 76 ALA HA H 76 4.870 4.718 0.152 1
1 865 . 15 1 1 A 76 76 ALA C C 76 179.974 177.375 2.599 1
1 866 . 15 1 1 A 76 76 ALA CA C 76 50.923 51.712 -0.789 1
1 867 . 15 1 1 A 76 76 ALA CB C 76 18.130 20.405 -2.275 1
1 868 . 15 1 1 A 76 76 ALA N N 76 128.387 124.780 3.607 1
1 869 . 15 1 1 A 77 77 PHE H H 77 8.117 8.790 -0.673 1
1 870 . 15 1 1 A 77 77 PHE HA H 77 4.915 5.205 -0.290 1
1 875 . 15 1 1 A 77 77 PHE CA C 77 53.371 54.752 -1.381 1
1 876 . 15 1 1 A 77 77 PHE CB C 77 36.523 41.064 -4.541 1
1 878 . 15 1 1 A 77 77 PHE N N 77 125.115 118.832 6.283 1
1 879 . 15 1 1 A 78 78 PRO HA H 78 4.245 4.832 -0.587 1
1 886 . 15 1 1 A 78 78 PRO C C 78 176.487 175.594 0.893 1
1 887 . 15 1 1 A 78 78 PRO CA C 78 62.480 62.210 0.270 1
1 888 . 15 1 1 A 78 78 PRO CB C 78 30.324 29.743 0.581 1
1 13 . 16 1 1 A 2 2 ASN H H 2 9.438 9.009 0.429 1
1 14 . 16 1 1 A 2 2 ASN HA H 2 5.912 4.665 1.247 1
1 19 . 16 1 1 A 2 2 ASN C C 2 175.436 175.952 -0.516 1
1 20 . 16 1 1 A 2 2 ASN CA C 2 54.299 56.015 -1.716 1
1 21 . 16 1 1 A 2 2 ASN CB C 2 38.092 38.637 -0.545 1
1 22 . 16 1 1 A 2 2 ASN N N 2 121.344 120.994 0.350 1
1 24 . 16 1 1 A 3 3 VAL H H 3 8.328 7.560 0.768 1
1 25 . 16 1 1 A 3 3 VAL HA H 3 4.161 4.983 -0.822 1
1 30 . 16 1 1 A 3 3 VAL C C 3 178.200 175.178 3.022 1
1 31 . 16 1 1 A 3 3 VAL CA C 3 61.577 61.397 0.180 1
1 32 . 16 1 1 A 3 3 VAL CB C 3 32.162 32.798 -0.636 1
1 34 . 16 1 1 A 3 3 VAL N N 3 122.195 118.924 3.271 1
1 35 . 16 1 1 A 4 4 LYS H H 4 8.474 8.874 -0.400 1
1 36 . 16 1 1 A 4 4 LYS HA H 4 4.283 4.826 -0.543 1
1 44 . 16 1 1 A 4 4 LYS C C 4 177.509 175.454 2.055 1
1 45 . 16 1 1 A 4 4 LYS CA C 4 55.197 55.208 -0.011 1
1 46 . 16 1 1 A 4 4 LYS CB C 4 30.194 35.413 -5.219 1
1 47 . 16 1 1 A 4 4 LYS N N 4 122.239 128.962 -6.723 1
1 48 . 16 1 1 A 5 5 GLN H H 5 8.507 8.613 -0.106 1
1 49 . 16 1 1 A 5 5 GLN HA H 5 4.383 4.373 0.010 1
1 56 . 16 1 1 A 5 5 GLN C C 5 177.440 176.303 1.137 1
1 57 . 16 1 1 A 5 5 GLN CA C 5 55.081 56.160 -1.079 1
1 58 . 16 1 1 A 5 5 GLN CB C 5 29.505 29.566 -0.061 1
1 60 . 16 1 1 A 5 5 GLN N N 5 123.847 124.881 -1.034 1
1 62 . 16 1 1 A 6 6 LYS H H 6 8.407 8.738 -0.331 1
1 63 . 16 1 1 A 6 6 LYS HA H 6 4.392 4.459 -0.067 1
1 72 . 16 1 1 A 6 6 LYS C C 6 178.373 176.011 2.362 1
1 73 . 16 1 1 A 6 6 LYS CA C 6 61.491 56.941 4.550 1
1 74 . 16 1 1 A 6 6 LYS CB C 6 31.993 33.493 -1.500 1
1 78 . 16 1 1 A 6 6 LYS N N 6 123.099 122.149 0.950 1
1 79 . 16 1 1 A 7 7 SER H H 7 8.516 8.600 -0.084 1
1 80 . 16 1 1 A 7 7 SER HA H 7 4.483 5.179 -0.696 1
1 83 . 16 1 1 A 7 7 SER C C 7 175.401 173.103 2.298 1
1 84 . 16 1 1 A 7 7 SER CA C 7 57.370 57.690 -0.320 1
1 85 . 16 1 1 A 7 7 SER CB C 7 62.979 65.353 -2.374 1
1 86 . 16 1 1 A 7 7 SER N N 7 117.184 115.720 1.464 1
1 87 . 16 1 1 A 8 8 GLU H H 8 8.548 9.176 -0.628 1
1 88 . 16 1 1 A 8 8 GLU HA H 8 4.397 5.266 -0.869 1
1 93 . 16 1 1 A 8 8 GLU C C 8 177.785 175.444 2.341 1
1 94 . 16 1 1 A 8 8 GLU CA C 8 55.856 55.227 0.629 1
1 95 . 16 1 1 A 8 8 GLU CB C 8 29.726 31.073 -1.347 1
1 97 . 16 1 1 A 8 8 GLU N N 8 123.697 125.317 -1.620 1
1 98 . 16 1 1 A 9 9 ILE H H 9 8.279 9.046 -0.767 1
1 99 . 16 1 1 A 9 9 ILE HA H 9 4.276 4.662 -0.386 1
1 109 . 16 1 1 A 9 9 ILE C C 9 177.958 175.858 2.100 1
1 110 . 16 1 1 A 9 9 ILE CA C 9 60.538 60.001 0.537 1
1 111 . 16 1 1 A 9 9 ILE CB C 9 37.725 40.640 -2.915 1
1 115 . 16 1 1 A 9 9 ILE N N 9 122.616 125.197 -2.581 1
1 116 . 16 1 1 A 10 10 THR H H 10 8.255 8.701 -0.446 1
1 117 . 16 1 1 A 10 10 THR HA H 10 4.592 4.392 0.200 1
1 122 . 16 1 1 A 10 10 THR C C 10 174.993 173.973 1.020 1
1 123 . 16 1 1 A 10 10 THR CA C 10 61.010 62.549 -1.539 1
1 124 . 16 1 1 A 10 10 THR CB C 10 68.505 69.682 -1.177 1
1 126 . 16 1 1 A 10 10 THR N N 10 119.401 121.364 -1.963 1
1 127 . 16 1 1 A 11 11 ALA H H 11 8.308 8.288 0.020 1
1 128 . 16 1 1 A 11 11 ALA HA H 11 4.400 4.591 -0.191 1
1 132 . 16 1 1 A 11 11 ALA C C 11 178.822 176.838 1.984 1
1 133 . 16 1 1 A 11 11 ALA CA C 11 51.438 52.615 -1.177 1
1 134 . 16 1 1 A 11 11 ALA CB C 11 18.303 18.921 -0.618 1
1 135 . 16 1 1 A 11 11 ALA N N 11 127.285 127.182 0.103 1
1 136 . 16 1 1 A 12 12 LEU H H 12 8.228 8.714 -0.486 1
1 137 . 16 1 1 A 12 12 LEU HA H 12 4.457 4.676 -0.219 1
1 147 . 16 1 1 A 12 12 LEU C C 12 178.787 175.886 2.901 1
1 148 . 16 1 1 A 12 12 LEU CA C 12 54.261 53.381 0.880 1
1 149 . 16 1 1 A 12 12 LEU CB C 12 41.457 44.482 -3.025 1
1 152 . 16 1 1 A 12 12 LEU N N 12 122.431 125.814 -3.383 1
1 153 . 16 1 1 A 13 13 VAL H H 13 8.171 8.316 -0.145 1
1 154 . 16 1 1 A 13 13 VAL HA H 13 4.164 4.083 0.081 1
1 159 . 16 1 1 A 13 13 VAL C C 13 177.412 175.692 1.720 1
1 160 . 16 1 1 A 13 13 VAL CA C 13 61.489 62.264 -0.775 1
1 161 . 16 1 1 A 13 13 VAL CB C 13 31.791 32.652 -0.861 1
1 163 . 16 1 1 A 13 13 VAL N N 13 122.619 121.729 0.890 1
1 164 . 16 1 1 A 14 14 LYS H H 14 8.459 7.757 0.702 1
1 165 . 16 1 1 A 14 14 LYS HA H 14 4.375 4.372 0.003 1
1 174 . 16 1 1 A 14 14 LYS C C 14 177.509 176.798 0.711 1
1 175 . 16 1 1 A 14 14 LYS CA C 14 55.532 56.447 -0.915 1
1 176 . 16 1 1 A 14 14 LYS CB C 14 32.114 33.107 -0.993 1
1 180 . 16 1 1 A 14 14 LYS N N 14 125.566 123.773 1.793 1
1 181 . 16 1 1 A 15 15 GLU H H 15 8.434 8.724 -0.290 1
1 182 . 16 1 1 A 15 15 GLU HA H 15 4.380 4.586 -0.206 1
1 187 . 16 1 1 A 15 15 GLU C C 15 177.440 176.452 0.988 1
1 188 . 16 1 1 A 15 15 GLU CA C 15 55.302 56.273 -0.971 1
1 189 . 16 1 1 A 15 15 GLU CB C 15 29.616 30.060 -0.444 1
1 190 . 16 1 1 A 15 15 GLU N N 15 123.950 124.574 -0.624 1
1 191 . 16 1 1 A 16 16 VAL H H 16 8.326 8.577 -0.251 1
1 192 . 16 1 1 A 16 16 VAL HA H 16 4.205 4.688 -0.483 1
1 197 . 16 1 1 A 16 16 VAL CA C 16 61.613 60.788 0.825 1
1 198 . 16 1 1 A 16 16 VAL CB C 16 32.231 35.420 -3.189 1
1 199 . 16 1 1 A 16 16 VAL N N 16 123.175 123.792 -0.617 1
1 200 . 16 1 1 A 17 17 THR H H 17 8.171 8.763 -0.592 1
1 201 . 16 1 1 A 17 17 THR HA H 17 4.470 4.269 0.201 1
1 206 . 16 1 1 A 17 17 THR CA C 17 57.893 67.349 -9.456 1
1 207 . 16 1 1 A 17 17 THR CB C 17 70.047 67.635 2.412 1
1 208 . 16 1 1 A 17 17 THR N N 17 119.533 120.547 -1.014 1
1 209 . 16 1 1 A 19 19 PRO HA H 19 4.355 4.726 -0.371 1
1 212 . 16 1 1 A 19 19 PRO C C 19 177.057 175.717 1.340 1
1 213 . 16 1 1 A 19 19 PRO CA C 19 61.531 62.475 -0.944 1
1 214 . 16 1 1 A 19 19 PRO CB C 19 31.869 29.490 2.379 1
1 215 . 16 1 1 A 20 20 ARG H H 20 8.435 8.611 -0.176 1
1 216 . 16 1 1 A 20 20 ARG HA H 20 4.391 4.642 -0.251 1
1 223 . 16 1 1 A 20 20 ARG C C 20 177.509 173.736 3.773 1
1 224 . 16 1 1 A 20 20 ARG CA C 20 55.300 55.544 -0.244 1
1 225 . 16 1 1 A 20 20 ARG CB C 20 32.492 33.422 -0.930 1
1 228 . 16 1 1 A 20 20 ARG N N 20 126.489 123.132 3.357 1
1 229 . 16 1 1 A 21 21 LYS H H 21 8.426 8.917 -0.491 1
1 230 . 16 1 1 A 21 21 LYS HA H 21 4.397 4.918 -0.521 1
1 239 . 16 1 1 A 21 21 LYS C C 21 177.412 175.219 2.193 1
1 240 . 16 1 1 A 21 21 LYS CA C 21 55.296 54.588 0.708 1
1 241 . 16 1 1 A 21 21 LYS CB C 21 29.837 34.638 -4.801 1
1 244 . 16 1 1 A 21 21 LYS N N 21 123.626 126.369 -2.743 1
1 245 . 16 1 1 A 22 22 ALA H H 22 8.378 8.864 -0.486 1
1 246 . 16 1 1 A 22 22 ALA HA H 22 4.628 4.765 -0.137 1
1 250 . 16 1 1 A 22 22 ALA CA C 22 49.376 49.796 -0.420 1
1 251 . 16 1 1 A 22 22 ALA CB C 22 17.501 19.908 -2.407 1
1 252 . 16 1 1 A 22 22 ALA N N 22 127.197 128.573 -1.376 1
1 253 . 16 1 1 A 23 23 PRO HA H 23 4.219 4.810 -0.591 1
1 257 . 16 1 1 A 23 23 PRO C C 23 177.440 175.505 1.935 1
1 258 . 16 1 1 A 23 23 PRO CA C 23 61.724 62.217 -0.493 1
1 259 . 16 1 1 A 23 23 PRO CB C 23 32.162 29.321 2.841 1
1 260 . 16 1 1 A 24 24 SER H H 24 8.425 8.344 0.081 1
1 261 . 16 1 1 A 24 24 SER HA H 24 4.344 4.840 -0.496 1
1 264 . 16 1 1 A 24 24 SER C C 24 175.610 174.198 1.412 1
1 265 . 16 1 1 A 24 24 SER CA C 24 58.845 57.033 1.812 1
1 266 . 16 1 1 A 24 24 SER CB C 24 68.920 65.263 3.657 1
1 267 . 16 1 1 A 24 24 SER N N 24 122.433 117.836 4.597 1
1 268 . 16 1 1 A 25 25 LYS H H 25 8.323 8.476 -0.153 1
1 269 . 16 1 1 A 25 25 LYS HA H 25 4.137 4.574 -0.437 1
1 276 . 16 1 1 A 25 25 LYS C C 25 177.462 175.182 2.280 1
1 277 . 16 1 1 A 25 25 LYS CA C 25 55.504 55.863 -0.359 1
1 278 . 16 1 1 A 25 25 LYS CB C 25 32.155 33.014 -0.859 1
1 281 . 16 1 1 A 25 25 LYS N N 25 121.718 124.378 -2.660 1
1 282 . 16 1 1 A 26 26 ALA H H 26 8.333 8.914 -0.581 1
1 283 . 16 1 1 A 26 26 ALA HA H 26 4.334 5.783 -1.449 1
1 287 . 16 1 1 A 26 26 ALA CA C 26 51.512 50.122 1.390 1
1 288 . 16 1 1 A 26 26 ALA CB C 26 18.486 22.282 -3.796 1
1 289 . 16 1 1 A 26 26 ALA N N 26 125.817 128.580 -2.763 1
1 290 . 16 1 1 A 27 27 LYS H H 27 8.347 8.517 -0.170 1
1 291 . 16 1 1 A 27 27 LYS HA H 27 4.354 5.041 -0.687 1
1 300 . 16 1 1 A 27 27 LYS C C 27 177.923 175.267 2.656 1
1 301 . 16 1 1 A 27 27 LYS CA C 27 55.413 54.580 0.833 1
1 302 . 16 1 1 A 27 27 LYS CB C 27 32.162 35.626 -3.464 1
1 306 . 16 1 1 A 27 27 LYS N N 27 121.810 122.450 -0.640 1
1 307 . 16 1 1 A 28 28 ARG H H 28 8.440 8.515 -0.075 1
1 308 . 16 1 1 A 28 28 ARG HA H 28 4.672 5.009 -0.337 1
1 315 . 16 1 1 A 28 28 ARG C C 28 177.474 175.758 1.716 1
1 316 . 16 1 1 A 28 28 ARG CA C 28 55.140 55.135 0.005 1
1 317 . 16 1 1 A 28 28 ARG CB C 28 28.508 31.340 -2.832 1
1 318 . 16 1 1 A 28 28 ARG N N 28 122.679 123.596 -0.917 1
1 319 . 16 1 1 A 29 29 GLU H H 29 8.470 8.288 0.182 1
1 320 . 16 1 1 A 29 29 GLU HA H 29 4.391 5.079 -0.688 1
1 325 . 16 1 1 A 29 29 GLU C C 29 177.057 175.233 1.824 1
1 326 . 16 1 1 A 29 29 GLU CA C 29 55.634 54.940 0.694 1
1 327 . 16 1 1 A 29 29 GLU CB C 29 32.461 33.241 -0.780 1
1 329 . 16 1 1 A 29 29 GLU N N 29 124.395 123.325 1.070 1
1 330 . 16 1 1 A 30 30 ALA H H 30 8.485 8.699 -0.214 1
1 331 . 16 1 1 A 30 30 ALA HA H 30 4.652 4.769 -0.117 1
1 335 . 16 1 1 A 30 30 ALA CA C 30 49.523 49.115 0.408 1
1 336 . 16 1 1 A 30 30 ALA CB C 30 17.328 20.398 -3.070 1
1 337 . 16 1 1 A 30 30 ALA N N 30 128.118 128.200 -0.082 1
1 338 . 16 1 1 A 31 31 PRO HA H 31 4.440 4.482 -0.042 1
1 345 . 16 1 1 A 31 31 PRO C C 31 177.612 176.082 1.530 1
1 346 . 16 1 1 A 31 31 PRO CA C 31 61.605 65.284 -3.679 1
1 347 . 16 1 1 A 31 31 PRO CB C 31 31.616 32.156 -0.540 1
1 348 . 16 1 1 A 32 32 ILE H H 32 8.202 7.830 0.372 1
1 349 . 16 1 1 A 32 32 ILE HA H 32 3.503 4.767 -1.264 1
1 359 . 16 1 1 A 32 32 ILE C C 32 176.061 176.370 -0.309 1
1 360 . 16 1 1 A 32 32 ILE CA C 32 60.929 58.759 2.170 1
1 361 . 16 1 1 A 32 32 ILE CB C 32 37.219 41.311 -4.092 1
1 365 . 16 1 1 A 32 32 ILE N N 32 121.270 114.999 6.271 1
1 366 . 16 1 1 A 33 33 LYS H H 33 7.434 9.250 -1.816 1
1 367 . 16 1 1 A 33 33 LYS HA H 33 4.370 4.287 0.083 1
1 376 . 16 1 1 A 33 33 LYS C C 33 176.960 177.274 -0.314 1
1 377 . 16 1 1 A 33 33 LYS CA C 33 56.553 59.190 -2.637 1
1 378 . 16 1 1 A 33 33 LYS CB C 33 35.043 32.181 2.862 1
1 382 . 16 1 1 A 33 33 LYS N N 33 126.133 124.430 1.703 1
1 383 . 16 1 1 A 34 34 TYR H H 34 7.974 8.428 -0.454 1
1 384 . 16 1 1 A 34 34 TYR HA H 34 4.551 4.247 0.304 1
1 389 . 16 1 1 A 34 34 TYR CA C 34 57.337 61.615 -4.278 1
1 390 . 16 1 1 A 34 34 TYR CB C 34 38.051 38.429 -0.378 1
1 393 . 16 1 1 A 34 34 TYR N N 34 121.936 120.367 1.569 1
1 394 . 16 1 1 A 35 35 TRP H H 35 7.912 7.978 -0.066 1
1 395 . 16 1 1 A 35 35 TRP HA H 35 4.687 4.462 0.225 1
1 403 . 16 1 1 A 35 35 TRP C C 35 171.862 175.665 -3.803 1
1 404 . 16 1 1 A 35 35 TRP CA C 35 56.720 60.134 -3.414 1
1 405 . 16 1 1 A 35 35 TRP CB C 35 28.638 31.030 -2.392 1
1 410 . 16 1 1 A 35 35 TRP N N 35 122.844 121.770 1.074 1
1 412 . 16 1 1 A 36 36 LEU H H 36 7.598 8.213 -0.615 1
1 413 . 16 1 1 A 36 36 LEU HA H 36 4.028 4.742 -0.714 1
1 423 . 16 1 1 A 36 36 LEU CA C 36 47.586 51.094 -3.508 1
1 424 . 16 1 1 A 36 36 LEU CB C 36 39.448 44.626 -5.178 1
1 428 . 16 1 1 A 36 36 LEU N N 36 117.117 117.637 -0.520 1
1 429 . 16 1 1 A 37 37 PRO HA H 37 4.340 4.544 -0.204 1
1 436 . 16 1 1 A 37 37 PRO C C 37 175.850 176.354 -0.504 1
1 437 . 16 1 1 A 37 37 PRO CA C 37 62.513 64.563 -2.050 1
1 438 . 16 1 1 A 37 37 PRO CB C 37 31.510 32.124 -0.614 1
1 439 . 16 1 1 A 38 38 HIS H H 38 7.704 7.815 -0.111 1
1 440 . 16 1 1 A 38 38 HIS HA H 38 4.366 5.023 -0.657 1
1 445 . 16 1 1 A 38 38 HIS C C 38 176.772 173.549 3.223 1
1 446 . 16 1 1 A 38 38 HIS CA C 38 56.604 54.177 2.427 1
1 447 . 16 1 1 A 38 38 HIS CB C 38 28.736 31.669 -2.933 1
1 450 . 16 1 1 A 38 38 HIS N N 38 111.845 116.481 -4.636 1
1 451 . 16 1 1 A 39 39 SER H H 39 6.451 8.951 -2.500 1
1 452 . 16 1 1 A 39 39 SER HA H 39 4.620 4.922 -0.302 1
1 455 . 16 1 1 A 39 39 SER C C 39 176.576 174.607 1.969 1
1 456 . 16 1 1 A 39 39 SER CA C 39 56.604 58.766 -2.162 1
1 457 . 16 1 1 A 39 39 SER CB C 39 65.579 63.309 2.270 1
1 458 . 16 1 1 A 39 39 SER N N 39 113.386 124.526 -11.140 1
1 459 . 16 1 1 A 40 40 GLY H H 40 8.420 8.620 -0.200 1
1 460 . 16 1 1 A 40 40 GLY HA2 H 40 4.346 4.286 0.060 1
1 461 . 16 1 1 A 40 40 GLY HA3 H 40 3.741 4.344 -0.603 1
1 462 . 16 1 1 A 40 40 GLY C C 40 176.997 173.318 3.679 1
1 463 . 16 1 1 A 40 40 GLY CA C 40 44.153 45.562 -1.409 1
1 464 . 16 1 1 A 40 40 GLY N N 40 113.160 113.167 -0.007 1
1 465 . 16 1 1 A 41 41 ALA H H 41 7.187 8.745 -1.558 1
1 466 . 16 1 1 A 41 41 ALA HA H 41 4.397 5.222 -0.825 1
1 470 . 16 1 1 A 41 41 ALA C C 41 177.989 175.058 2.931 1
1 471 . 16 1 1 A 41 41 ALA CA C 41 51.533 50.763 0.770 1
1 472 . 16 1 1 A 41 41 ALA CB C 41 17.990 22.309 -4.319 1
1 473 . 16 1 1 A 41 41 ALA N N 41 123.786 126.345 -2.559 1
1 474 . 16 1 1 A 42 42 THR H H 42 8.358 8.769 -0.411 1
1 475 . 16 1 1 A 42 42 THR HA H 42 5.612 4.832 0.780 1
1 480 . 16 1 1 A 42 42 THR C C 42 175.505 173.148 2.357 1
1 481 . 16 1 1 A 42 42 THR CA C 42 58.816 61.657 -2.841 1
1 482 . 16 1 1 A 42 42 THR CB C 42 71.944 69.692 2.252 1
1 484 . 16 1 1 A 42 42 THR N N 42 108.609 117.754 -9.145 1
1 485 . 16 1 1 A 43 43 TRP H H 43 8.625 8.465 0.160 1
1 486 . 16 1 1 A 43 43 TRP HA H 43 5.338 5.296 0.042 1
1 494 . 16 1 1 A 43 43 TRP C C 43 177.892 174.703 3.189 1
1 495 . 16 1 1 A 43 43 TRP CA C 43 54.345 55.131 -0.786 1
1 496 . 16 1 1 A 43 43 TRP CB C 43 31.571 31.562 0.009 1
1 501 . 16 1 1 A 43 43 TRP N N 43 117.778 131.842 -14.064 1
1 503 . 16 1 1 A 44 44 SER H H 44 8.451 9.102 -0.651 1
1 504 . 16 1 1 A 44 44 SER HA H 44 4.498 5.398 -0.900 1
1 507 . 16 1 1 A 44 44 SER C C 44 175.850 173.910 1.940 1
1 508 . 16 1 1 A 44 44 SER CA C 44 57.363 57.256 0.107 1
1 509 . 16 1 1 A 44 44 SER CB C 44 62.550 64.230 -1.680 1
1 510 . 16 1 1 A 44 44 SER N N 44 117.818 120.786 -2.968 1
1 511 . 16 1 1 A 45 45 GLY H H 45 7.513 8.265 -0.752 1
1 512 . 16 1 1 A 45 45 GLY HA2 H 45 4.344 4.252 0.092 1
1 513 . 16 1 1 A 45 45 GLY HA3 H 45 3.775 4.322 -0.547 1
1 514 . 16 1 1 A 45 45 GLY C C 45 172.858 173.535 -0.677 1
1 515 . 16 1 1 A 45 45 GLY CA C 45 44.312 46.079 -1.767 1
1 516 . 16 1 1 A 45 45 GLY N N 45 111.146 111.438 -0.292 1
1 517 . 16 1 1 A 46 46 ARG H H 46 8.534 8.076 0.458 1
1 518 . 16 1 1 A 46 46 ARG HA H 46 4.632 4.217 0.415 1
1 525 . 16 1 1 A 46 46 ARG C C 46 177.983 176.055 1.928 1
1 526 . 16 1 1 A 46 46 ARG CA C 46 53.530 55.731 -2.201 1
1 527 . 16 1 1 A 46 46 ARG CB C 46 31.064 30.689 0.375 1
1 530 . 16 1 1 A 46 46 ARG N N 46 120.921 124.016 -3.095 1
1 531 . 16 1 1 A 47 47 GLY H H 47 8.864 8.577 0.287 1
1 532 . 16 1 1 A 47 47 GLY HA2 H 47 3.919 3.798 0.121 1
1 533 . 16 1 1 A 47 47 GLY HA3 H 47 4.336 3.819 0.517 1
1 534 . 16 1 1 A 47 47 GLY C C 47 177.440 172.639 4.801 1
1 535 . 16 1 1 A 47 47 GLY CA C 47 44.060 46.302 -2.242 1
1 536 . 16 1 1 A 47 47 GLY N N 47 111.872 112.189 -0.317 1
1 537 . 16 1 1 A 48 48 LYS H H 48 7.752 7.962 -0.210 1
1 538 . 16 1 1 A 48 48 LYS HA H 48 4.274 4.505 -0.231 1
1 547 . 16 1 1 A 48 48 LYS C C 48 178.053 175.057 2.996 1
1 548 . 16 1 1 A 48 48 LYS CA C 48 55.302 55.148 0.154 1
1 549 . 16 1 1 A 48 48 LYS CB C 48 32.162 33.181 -1.019 1
1 550 . 16 1 1 A 48 48 LYS N N 48 125.971 125.845 0.126 1
1 551 . 16 1 1 A 49 49 ILE H H 49 8.236 8.621 -0.385 1
1 552 . 16 1 1 A 49 49 ILE HA H 49 2.797 4.842 -2.045 1
1 562 . 16 1 1 A 49 49 ILE CA C 49 58.222 57.924 0.298 1
1 563 . 16 1 1 A 49 49 ILE CB C 49 37.578 39.366 -1.788 1
1 567 . 16 1 1 A 49 49 ILE N N 49 126.182 127.951 -1.769 1
1 568 . 16 1 1 A 50 50 PRO HA H 50 4.344 4.627 -0.283 1
1 571 . 16 1 1 A 50 50 PRO C C 50 178.547 176.509 2.038 1
1 572 . 16 1 1 A 50 50 PRO CA C 50 60.998 62.995 -1.997 1
1 573 . 16 1 1 A 50 50 PRO CB C 50 32.796 30.288 2.508 1
1 575 . 16 1 1 A 51 51 LYS H H 51 9.065 8.062 1.003 1
1 576 . 16 1 1 A 51 51 LYS HA H 51 4.870 4.087 0.783 1
1 581 . 16 1 1 A 51 51 LYS CA C 51 59.788 61.059 -1.271 1
1 582 . 16 1 1 A 51 51 LYS CB C 51 28.838 30.192 -1.354 1
1 583 . 16 1 1 A 51 51 LYS N N 51 125.299 122.578 2.721 1
1 584 . 16 1 1 A 52 52 PRO HA H 52 4.391 4.384 0.007 1
1 591 . 16 1 1 A 52 52 PRO C C 52 181.184 179.067 2.117 1
1 592 . 16 1 1 A 52 52 PRO CA C 52 64.975 65.621 -0.646 1
1 593 . 16 1 1 A 52 52 PRO CB C 52 30.072 31.076 -1.004 1
1 595 . 16 1 1 A 53 53 PHE H H 53 7.144 7.636 -0.492 1
1 596 . 16 1 1 A 53 53 PHE HA H 53 3.875 4.054 -0.179 1
1 601 . 16 1 1 A 53 53 PHE C C 53 177.838 177.814 0.024 1
1 602 . 16 1 1 A 53 53 PHE CA C 53 60.265 61.545 -1.280 1
1 603 . 16 1 1 A 53 53 PHE CB C 53 37.091 39.329 -2.238 1
1 606 . 16 1 1 A 53 53 PHE N N 53 116.868 118.524 -1.656 1
1 607 . 16 1 1 A 54 54 GLU H H 54 7.788 8.543 -0.755 1
1 608 . 16 1 1 A 54 54 GLU HA H 54 3.997 3.866 0.131 1
1 613 . 16 1 1 A 54 54 GLU C C 54 180.998 178.668 2.330 1
1 614 . 16 1 1 A 54 54 GLU CA C 54 58.691 59.017 -0.326 1
1 615 . 16 1 1 A 54 54 GLU CB C 54 29.328 29.591 -0.263 1
1 617 . 16 1 1 A 54 54 GLU N N 54 120.523 119.178 1.345 1
1 618 . 16 1 1 A 55 55 ALA H H 55 8.379 7.772 0.607 1
1 619 . 16 1 1 A 55 55 ALA HA H 55 4.086 4.049 0.037 1
1 623 . 16 1 1 A 55 55 ALA C C 55 180.899 178.977 1.922 1
1 624 . 16 1 1 A 55 55 ALA CA C 55 53.119 55.044 -1.925 1
1 625 . 16 1 1 A 55 55 ALA CB C 55 17.854 18.327 -0.473 1
1 626 . 16 1 1 A 55 55 ALA N N 55 119.006 121.489 -2.483 1
1 627 . 16 1 1 A 56 56 TRP H H 56 7.575 7.814 -0.239 1
1 628 . 16 1 1 A 56 56 TRP HA H 56 4.616 4.255 0.361 1
1 634 . 16 1 1 A 56 56 TRP C C 56 179.334 178.169 1.165 1
1 635 . 16 1 1 A 56 56 TRP CA C 56 59.039 61.427 -2.388 1
1 636 . 16 1 1 A 56 56 TRP CB C 56 27.791 29.638 -1.847 1
1 639 . 16 1 1 A 56 56 TRP N N 56 119.770 120.172 -0.402 1
1 641 . 16 1 1 A 57 57 ILE H H 57 7.291 8.133 -0.842 1
1 642 . 16 1 1 A 57 57 ILE HA H 57 2.517 3.899 -1.382 1
1 651 . 16 1 1 A 57 57 ILE C C 57 177.768 177.378 0.390 1
1 652 . 16 1 1 A 57 57 ILE CA C 57 62.722 63.912 -1.190 1
1 653 . 16 1 1 A 57 57 ILE CB C 57 36.507 36.828 -0.321 1
1 657 . 16 1 1 A 57 57 ILE N N 57 117.374 118.073 -0.699 1
1 658 . 16 1 1 A 58 58 GLY H H 58 6.565 7.733 -1.168 1
1 659 . 16 1 1 A 58 58 GLY HA2 H 58 3.985 3.870 0.115 1
1 660 . 16 1 1 A 58 58 GLY HA3 H 58 4.069 3.963 0.106 1
1 661 . 16 1 1 A 58 58 GLY C C 58 178.787 175.518 3.269 1
1 662 . 16 1 1 A 58 58 GLY CA C 58 43.958 45.572 -1.614 1
1 663 . 16 1 1 A 58 58 GLY N N 58 110.422 109.619 0.803 1
1 664 . 16 1 1 A 59 59 THR H H 59 7.629 8.057 -0.428 1
1 665 . 16 1 1 A 59 59 THR HA H 59 4.554 3.862 0.692 1
1 670 . 16 1 1 A 59 59 THR CA C 59 60.466 65.191 -4.725 1
1 671 . 16 1 1 A 59 59 THR CB C 59 71.728 68.268 3.460 1
1 672 . 16 1 1 A 59 59 THR N N 59 111.600 117.433 -5.833 1
1 673 . 16 1 1 A 60 60 ALA H H 60 9.010 7.228 1.782 1
1 674 . 16 1 1 A 60 60 ALA HA H 60 4.917 4.439 0.478 1
1 678 . 16 1 1 A 60 60 ALA C C 60 182.933 178.569 4.364 1
1 679 . 16 1 1 A 60 60 ALA CA C 60 54.222 52.939 1.283 1
1 680 . 16 1 1 A 60 60 ALA CB C 60 18.122 20.735 -2.613 1
1 681 . 16 1 1 A 60 60 ALA N N 60 125.890 120.349 5.541 1
1 682 . 16 1 1 A 61 61 ALA H H 61 8.368 7.895 0.473 1
1 683 . 16 1 1 A 61 61 ALA HA H 61 4.256 4.111 0.145 1
1 687 . 16 1 1 A 61 61 ALA C C 61 182.536 179.255 3.281 1
1 688 . 16 1 1 A 61 61 ALA CA C 61 54.071 54.859 -0.788 1
1 689 . 16 1 1 A 61 61 ALA CB C 61 18.122 18.191 -0.069 1
1 690 . 16 1 1 A 61 61 ALA N N 61 121.272 120.499 0.773 1
1 691 . 16 1 1 A 62 62 TYR H H 62 7.310 7.888 -0.578 1
1 692 . 16 1 1 A 62 62 TYR HA H 62 3.381 4.064 -0.683 1
1 697 . 16 1 1 A 62 62 TYR C C 62 177.889 177.325 0.564 1
1 698 . 16 1 1 A 62 62 TYR CA C 62 60.203 61.752 -1.549 1
1 699 . 16 1 1 A 62 62 TYR CB C 62 36.771 38.597 -1.826 1
1 702 . 16 1 1 A 62 62 TYR N N 62 122.066 120.605 1.461 1
1 703 . 16 1 1 A 63 63 THR H H 63 8.303 8.268 0.035 1
1 704 . 16 1 1 A 63 63 THR HA H 63 4.405 3.761 0.644 1
1 709 . 16 1 1 A 63 63 THR C C 63 178.200 177.282 0.918 1
1 710 . 16 1 1 A 63 63 THR CA C 63 65.547 65.529 0.018 1
1 711 . 16 1 1 A 63 63 THR CB C 63 67.470 68.674 -1.204 1
1 712 . 16 1 1 A 63 63 THR N N 63 117.473 114.173 3.300 1
1 713 . 16 1 1 A 64 64 ALA H H 64 7.931 7.599 0.332 1
1 714 . 16 1 1 A 64 64 ALA HA H 64 4.220 4.033 0.187 1
1 718 . 16 1 1 A 64 64 ALA C C 64 181.966 179.374 2.592 1
1 719 . 16 1 1 A 64 64 ALA CA C 64 53.966 54.910 -0.944 1
1 720 . 16 1 1 A 64 64 ALA CB C 64 17.432 18.391 -0.959 1
1 721 . 16 1 1 A 64 64 ALA N N 64 123.649 122.816 0.833 1
1 722 . 16 1 1 A 65 65 TRP H H 65 8.049 8.384 -0.335 1
1 723 . 16 1 1 A 65 65 TRP HA H 65 4.294 4.127 0.167 1
1 729 . 16 1 1 A 65 65 TRP C C 65 181.255 178.663 2.592 1
1 730 . 16 1 1 A 65 65 TRP CA C 65 61.458 61.437 0.021 1
1 731 . 16 1 1 A 65 65 TRP CB C 65 27.748 29.596 -1.848 1
1 734 . 16 1 1 A 65 65 TRP N N 65 121.372 120.290 1.082 1
1 736 . 16 1 1 A 66 66 LYS H H 66 9.624 8.393 1.231 1
1 737 . 16 1 1 A 66 66 LYS HA H 66 4.352 4.126 0.226 1
1 745 . 16 1 1 A 66 66 LYS C C 66 180.615 179.145 1.470 1
1 746 . 16 1 1 A 66 66 LYS CA C 66 56.030 59.619 -3.589 1
1 747 . 16 1 1 A 66 66 LYS CB C 66 30.842 31.940 -1.098 1
1 751 . 16 1 1 A 66 66 LYS N N 66 123.631 118.718 4.913 1
1 752 . 16 1 1 A 67 67 ALA H H 67 8.822 8.084 0.738 1
1 753 . 16 1 1 A 67 67 ALA HA H 67 4.027 4.006 0.021 1
1 757 . 16 1 1 A 67 67 ALA C C 67 180.899 179.939 0.960 1
1 758 . 16 1 1 A 67 67 ALA CA C 67 53.759 54.917 -1.158 1
1 759 . 16 1 1 A 67 67 ALA CB C 67 17.534 18.322 -0.788 1
1 760 . 16 1 1 A 67 67 ALA N N 67 120.803 122.230 -1.427 1
1 761 . 16 1 1 A 68 68 LYS H H 68 6.888 7.315 -0.427 1
1 762 . 16 1 1 A 68 68 LYS HA H 68 4.233 4.238 -0.005 1
1 771 . 16 1 1 A 68 68 LYS C C 68 175.989 176.613 -0.624 1
1 772 . 16 1 1 A 68 68 LYS CA C 68 54.355 57.745 -3.390 1
1 773 . 16 1 1 A 68 68 LYS CB C 68 33.056 32.883 0.173 1
1 777 . 16 1 1 A 68 68 LYS N N 68 113.741 115.257 -1.516 1
1 778 . 16 1 1 A 69 69 HIS H H 69 7.111 7.896 -0.785 1
1 779 . 16 1 1 A 69 69 HIS HA H 69 4.768 4.974 -0.206 1
1 784 . 16 1 1 A 69 69 HIS CA C 69 52.654 53.667 -1.013 1
1 785 . 16 1 1 A 69 69 HIS CB C 69 27.381 33.006 -5.625 1
1 788 . 16 1 1 A 69 69 HIS N N 69 120.596 116.033 4.563 1
1 789 . 16 1 1 A 70 70 PRO HA H 70 4.230 4.313 -0.083 1
1 796 . 16 1 1 A 70 70 PRO C C 70 179.651 177.208 2.443 1
1 797 . 16 1 1 A 70 70 PRO CA C 70 64.184 66.111 -1.927 1
1 798 . 16 1 1 A 70 70 PRO CB C 70 30.854 31.505 -0.651 1
1 800 . 16 1 1 A 71 71 ASP H H 71 8.619 8.200 0.419 1
1 801 . 16 1 1 A 71 71 ASP HA H 71 4.917 5.081 -0.164 1
1 804 . 16 1 1 A 71 71 ASP C C 71 177.057 176.686 0.371 1
1 805 . 16 1 1 A 71 71 ASP CA C 71 52.975 53.016 -0.041 1
1 806 . 16 1 1 A 71 71 ASP CB C 71 40.475 41.779 -1.304 1
1 807 . 16 1 1 A 71 71 ASP N N 71 116.294 116.885 -0.591 1
1 808 . 16 1 1 A 72 72 GLU H H 72 7.389 8.286 -0.897 1
1 809 . 16 1 1 A 72 72 GLU HA H 72 4.920 4.238 0.682 1
1 814 . 16 1 1 A 72 72 GLU C C 72 176.986 177.203 -0.217 1
1 815 . 16 1 1 A 72 72 GLU CA C 72 54.236 59.239 -5.003 1
1 816 . 16 1 1 A 72 72 GLU CB C 72 33.622 30.434 3.188 1
1 818 . 16 1 1 A 72 72 GLU N N 72 120.136 123.052 -2.916 1
1 819 . 16 1 1 A 73 73 LYS H H 73 9.155 7.743 1.412 1
1 820 . 16 1 1 A 73 73 LYS HA H 73 4.245 4.231 0.014 1
1 829 . 16 1 1 A 73 73 LYS C C 73 176.680 176.194 0.486 1
1 830 . 16 1 1 A 73 73 LYS CA C 73 57.999 55.804 2.195 1
1 831 . 16 1 1 A 73 73 LYS CB C 73 33.418 32.640 0.778 1
1 835 . 16 1 1 A 73 73 LYS N N 73 121.554 120.012 1.542 1
1 836 . 16 1 1 A 74 74 PHE H H 74 7.171 8.805 -1.634 1
1 837 . 16 1 1 A 74 74 PHE HA H 74 4.600 4.583 0.017 1
1 843 . 16 1 1 A 74 74 PHE CA C 74 55.159 57.121 -1.962 1
1 844 . 16 1 1 A 74 74 PHE CB C 74 40.451 40.372 0.079 1
1 848 . 16 1 1 A 74 74 PHE N N 74 111.944 127.269 -15.325 1
1 849 . 16 1 1 A 75 75 PRO HA H 75 4.640 4.261 0.379 1
1 856 . 16 1 1 A 75 75 PRO C C 75 176.914 174.625 2.289 1
1 857 . 16 1 1 A 75 75 PRO CA C 75 62.713 61.885 0.828 1
1 858 . 16 1 1 A 75 75 PRO CB C 75 30.073 28.720 1.353 1
1 860 . 16 1 1 A 76 76 ALA H H 76 9.039 8.599 0.440 1
1 861 . 16 1 1 A 76 76 ALA HA H 76 4.870 5.114 -0.244 1
1 865 . 16 1 1 A 76 76 ALA C C 76 179.974 177.128 2.846 1
1 866 . 16 1 1 A 76 76 ALA CA C 76 50.923 50.650 0.273 1
1 867 . 16 1 1 A 76 76 ALA CB C 76 18.130 20.959 -2.829 1
1 868 . 16 1 1 A 76 76 ALA N N 76 128.387 124.618 3.769 1
1 869 . 16 1 1 A 77 77 PHE H H 77 8.117 8.730 -0.613 1
1 870 . 16 1 1 A 77 77 PHE HA H 77 4.915 5.158 -0.243 1
1 875 . 16 1 1 A 77 77 PHE CA C 77 53.371 54.783 -1.412 1
1 876 . 16 1 1 A 77 77 PHE CB C 77 36.523 40.967 -4.444 1
1 878 . 16 1 1 A 77 77 PHE N N 77 125.115 118.751 6.364 1
1 879 . 16 1 1 A 78 78 PRO HA H 78 4.245 4.760 -0.515 1
1 886 . 16 1 1 A 78 78 PRO C C 78 176.487 176.102 0.385 1
1 887 . 16 1 1 A 78 78 PRO CA C 78 62.480 62.214 0.266 1
1 888 . 16 1 1 A 78 78 PRO CB C 78 30.324 31.660 -1.336 1
1 13 . 17 1 1 A 2 2 ASN H H 2 9.438 8.874 0.564 1
1 14 . 17 1 1 A 2 2 ASN HA H 2 5.912 4.725 1.187 1
1 19 . 17 1 1 A 2 2 ASN C C 2 175.436 175.701 -0.265 1
1 20 . 17 1 1 A 2 2 ASN CA C 2 54.299 55.848 -1.549 1
1 21 . 17 1 1 A 2 2 ASN CB C 2 38.092 39.269 -1.177 1
1 22 . 17 1 1 A 2 2 ASN N N 2 121.344 125.089 -3.745 1
1 24 . 17 1 1 A 3 3 VAL H H 3 8.328 7.823 0.505 1
1 25 . 17 1 1 A 3 3 VAL HA H 3 4.161 4.373 -0.212 1
1 30 . 17 1 1 A 3 3 VAL C C 3 178.200 175.198 3.002 1
1 31 . 17 1 1 A 3 3 VAL CA C 3 61.577 61.922 -0.345 1
1 32 . 17 1 1 A 3 3 VAL CB C 3 32.162 33.089 -0.927 1
1 34 . 17 1 1 A 3 3 VAL N N 3 122.195 119.080 3.115 1
1 35 . 17 1 1 A 4 4 LYS H H 4 8.474 8.562 -0.088 1
1 36 . 17 1 1 A 4 4 LYS HA H 4 4.283 4.531 -0.248 1
1 44 . 17 1 1 A 4 4 LYS C C 4 177.509 175.046 2.463 1
1 45 . 17 1 1 A 4 4 LYS CA C 4 55.197 55.059 0.138 1
1 46 . 17 1 1 A 4 4 LYS CB C 4 30.194 36.257 -6.063 1
1 47 . 17 1 1 A 4 4 LYS N N 4 122.239 127.208 -4.969 1
1 48 . 17 1 1 A 5 5 GLN H H 5 8.507 8.280 0.227 1
1 49 . 17 1 1 A 5 5 GLN HA H 5 4.383 4.346 0.037 1
1 56 . 17 1 1 A 5 5 GLN C C 5 177.440 176.135 1.305 1
1 57 . 17 1 1 A 5 5 GLN CA C 5 55.081 56.039 -0.958 1
1 58 . 17 1 1 A 5 5 GLN CB C 5 29.505 29.780 -0.275 1
1 60 . 17 1 1 A 5 5 GLN N N 5 123.847 123.262 0.585 1
1 62 . 17 1 1 A 6 6 LYS H H 6 8.407 8.652 -0.245 1
1 63 . 17 1 1 A 6 6 LYS HA H 6 4.392 4.580 -0.188 1
1 72 . 17 1 1 A 6 6 LYS C C 6 178.373 176.064 2.309 1
1 73 . 17 1 1 A 6 6 LYS CA C 6 61.491 56.713 4.778 1
1 74 . 17 1 1 A 6 6 LYS CB C 6 31.993 32.995 -1.002 1
1 78 . 17 1 1 A 6 6 LYS N N 6 123.099 121.416 1.683 1
1 79 . 17 1 1 A 7 7 SER H H 7 8.516 8.982 -0.466 1
1 80 . 17 1 1 A 7 7 SER HA H 7 4.483 5.007 -0.524 1
1 83 . 17 1 1 A 7 7 SER C C 7 175.401 173.457 1.944 1
1 84 . 17 1 1 A 7 7 SER CA C 7 57.370 57.837 -0.467 1
1 85 . 17 1 1 A 7 7 SER CB C 7 62.979 64.020 -1.041 1
1 86 . 17 1 1 A 7 7 SER N N 7 117.184 121.728 -4.544 1
1 87 . 17 1 1 A 8 8 GLU H H 8 8.548 9.083 -0.535 1
1 88 . 17 1 1 A 8 8 GLU HA H 8 4.397 5.046 -0.649 1
1 93 . 17 1 1 A 8 8 GLU C C 8 177.785 175.277 2.508 1
1 94 . 17 1 1 A 8 8 GLU CA C 8 55.856 55.361 0.495 1
1 95 . 17 1 1 A 8 8 GLU CB C 8 29.726 30.051 -0.325 1
1 97 . 17 1 1 A 8 8 GLU N N 8 123.697 125.133 -1.436 1
1 98 . 17 1 1 A 9 9 ILE H H 9 8.279 8.666 -0.387 1
1 99 . 17 1 1 A 9 9 ILE HA H 9 4.276 4.791 -0.515 1
1 109 . 17 1 1 A 9 9 ILE C C 9 177.958 175.104 2.854 1
1 110 . 17 1 1 A 9 9 ILE CA C 9 60.538 59.765 0.773 1
1 111 . 17 1 1 A 9 9 ILE CB C 9 37.725 41.684 -3.959 1
1 115 . 17 1 1 A 9 9 ILE N N 9 122.616 124.926 -2.310 1
1 116 . 17 1 1 A 10 10 THR H H 10 8.255 8.573 -0.318 1
1 117 . 17 1 1 A 10 10 THR HA H 10 4.592 4.417 0.175 1
1 122 . 17 1 1 A 10 10 THR C C 10 174.993 174.017 0.976 1
1 123 . 17 1 1 A 10 10 THR CA C 10 61.010 62.631 -1.621 1
1 124 . 17 1 1 A 10 10 THR CB C 10 68.505 69.315 -0.810 1
1 126 . 17 1 1 A 10 10 THR N N 10 119.401 121.948 -2.547 1
1 127 . 17 1 1 A 11 11 ALA H H 11 8.308 8.330 -0.022 1
1 128 . 17 1 1 A 11 11 ALA HA H 11 4.400 4.663 -0.263 1
1 132 . 17 1 1 A 11 11 ALA C C 11 178.822 177.307 1.515 1
1 133 . 17 1 1 A 11 11 ALA CA C 11 51.438 52.380 -0.942 1
1 134 . 17 1 1 A 11 11 ALA CB C 11 18.303 19.004 -0.701 1
1 135 . 17 1 1 A 11 11 ALA N N 11 127.285 126.483 0.802 1
1 136 . 17 1 1 A 12 12 LEU H H 12 8.228 8.885 -0.657 1
1 137 . 17 1 1 A 12 12 LEU HA H 12 4.457 4.988 -0.531 1
1 147 . 17 1 1 A 12 12 LEU C C 12 178.787 176.221 2.566 1
1 148 . 17 1 1 A 12 12 LEU CA C 12 54.261 53.370 0.891 1
1 149 . 17 1 1 A 12 12 LEU CB C 12 41.457 44.778 -3.321 1
1 152 . 17 1 1 A 12 12 LEU N N 12 122.431 124.182 -1.751 1
1 153 . 17 1 1 A 13 13 VAL H H 13 8.171 8.515 -0.344 1
1 154 . 17 1 1 A 13 13 VAL HA H 13 4.164 4.085 0.079 1
1 159 . 17 1 1 A 13 13 VAL C C 13 177.412 175.604 1.808 1
1 160 . 17 1 1 A 13 13 VAL CA C 13 61.489 62.400 -0.911 1
1 161 . 17 1 1 A 13 13 VAL CB C 13 31.791 32.656 -0.865 1
1 163 . 17 1 1 A 13 13 VAL N N 13 122.619 120.335 2.284 1
1 164 . 17 1 1 A 14 14 LYS H H 14 8.459 7.716 0.743 1
1 165 . 17 1 1 A 14 14 LYS HA H 14 4.375 4.362 0.013 1
1 174 . 17 1 1 A 14 14 LYS C C 14 177.509 176.770 0.739 1
1 175 . 17 1 1 A 14 14 LYS CA C 14 55.532 56.337 -0.805 1
1 176 . 17 1 1 A 14 14 LYS CB C 14 32.114 33.163 -1.049 1
1 180 . 17 1 1 A 14 14 LYS N N 14 125.566 124.748 0.818 1
1 181 . 17 1 1 A 15 15 GLU H H 15 8.434 8.721 -0.287 1
1 182 . 17 1 1 A 15 15 GLU HA H 15 4.380 4.502 -0.122 1
1 187 . 17 1 1 A 15 15 GLU C C 15 177.440 176.544 0.896 1
1 188 . 17 1 1 A 15 15 GLU CA C 15 55.302 56.337 -1.035 1
1 189 . 17 1 1 A 15 15 GLU CB C 15 29.616 30.028 -0.412 1
1 190 . 17 1 1 A 15 15 GLU N N 15 123.950 124.114 -0.164 1
1 191 . 17 1 1 A 16 16 VAL H H 16 8.326 8.508 -0.182 1
1 192 . 17 1 1 A 16 16 VAL HA H 16 4.205 4.671 -0.466 1
1 197 . 17 1 1 A 16 16 VAL CA C 16 61.613 60.939 0.674 1
1 198 . 17 1 1 A 16 16 VAL CB C 16 32.231 35.238 -3.007 1
1 199 . 17 1 1 A 16 16 VAL N N 16 123.175 123.609 -0.434 1
1 200 . 17 1 1 A 17 17 THR H H 17 8.171 8.777 -0.606 1
1 201 . 17 1 1 A 17 17 THR HA H 17 4.470 4.202 0.268 1
1 206 . 17 1 1 A 17 17 THR CA C 17 57.893 67.411 -9.518 1
1 207 . 17 1 1 A 17 17 THR CB C 17 70.047 67.289 2.758 1
1 208 . 17 1 1 A 17 17 THR N N 17 119.533 121.133 -1.600 1
1 209 . 17 1 1 A 19 19 PRO HA H 19 4.355 4.793 -0.438 1
1 212 . 17 1 1 A 19 19 PRO C C 19 177.057 175.339 1.718 1
1 213 . 17 1 1 A 19 19 PRO CA C 19 61.531 62.350 -0.819 1
1 214 . 17 1 1 A 19 19 PRO CB C 19 31.869 29.333 2.536 1
1 215 . 17 1 1 A 20 20 ARG H H 20 8.435 8.628 -0.193 1
1 216 . 17 1 1 A 20 20 ARG HA H 20 4.391 4.739 -0.348 1
1 223 . 17 1 1 A 20 20 ARG C C 20 177.509 173.826 3.683 1
1 224 . 17 1 1 A 20 20 ARG CA C 20 55.300 55.631 -0.331 1
1 225 . 17 1 1 A 20 20 ARG CB C 20 32.492 32.995 -0.503 1
1 228 . 17 1 1 A 20 20 ARG N N 20 126.489 123.431 3.058 1
1 229 . 17 1 1 A 21 21 LYS H H 21 8.426 8.892 -0.466 1
1 230 . 17 1 1 A 21 21 LYS HA H 21 4.397 4.966 -0.569 1
1 239 . 17 1 1 A 21 21 LYS C C 21 177.412 175.249 2.163 1
1 240 . 17 1 1 A 21 21 LYS CA C 21 55.296 54.681 0.615 1
1 241 . 17 1 1 A 21 21 LYS CB C 21 29.837 35.334 -5.497 1
1 244 . 17 1 1 A 21 21 LYS N N 21 123.626 126.638 -3.012 1
1 245 . 17 1 1 A 22 22 ALA H H 22 8.378 8.918 -0.540 1
1 246 . 17 1 1 A 22 22 ALA HA H 22 4.628 4.824 -0.196 1
1 250 . 17 1 1 A 22 22 ALA CA C 22 49.376 49.276 0.100 1
1 251 . 17 1 1 A 22 22 ALA CB C 22 17.501 20.335 -2.834 1
1 252 . 17 1 1 A 22 22 ALA N N 22 127.197 127.289 -0.092 1
1 253 . 17 1 1 A 23 23 PRO HA H 23 4.219 4.848 -0.629 1
1 257 . 17 1 1 A 23 23 PRO C C 23 177.440 175.212 2.228 1
1 258 . 17 1 1 A 23 23 PRO CA C 23 61.724 62.209 -0.485 1
1 259 . 17 1 1 A 23 23 PRO CB C 23 32.162 29.397 2.765 1
1 260 . 17 1 1 A 24 24 SER H H 24 8.425 8.435 -0.010 1
1 261 . 17 1 1 A 24 24 SER HA H 24 4.344 4.786 -0.442 1
1 264 . 17 1 1 A 24 24 SER C C 24 175.610 173.679 1.931 1
1 265 . 17 1 1 A 24 24 SER CA C 24 58.845 57.485 1.360 1
1 266 . 17 1 1 A 24 24 SER CB C 24 68.920 64.325 4.595 1
1 267 . 17 1 1 A 24 24 SER N N 24 122.433 117.952 4.481 1
1 268 . 17 1 1 A 25 25 LYS H H 25 8.323 8.388 -0.065 1
1 269 . 17 1 1 A 25 25 LYS HA H 25 4.137 4.355 -0.218 1
1 276 . 17 1 1 A 25 25 LYS C C 25 177.462 175.549 1.913 1
1 277 . 17 1 1 A 25 25 LYS CA C 25 55.504 55.811 -0.307 1
1 278 . 17 1 1 A 25 25 LYS CB C 25 32.155 32.165 -0.010 1
1 281 . 17 1 1 A 25 25 LYS N N 25 121.718 123.775 -2.057 1
1 282 . 17 1 1 A 26 26 ALA H H 26 8.333 8.775 -0.442 1
1 283 . 17 1 1 A 26 26 ALA HA H 26 4.334 5.677 -1.343 1
1 287 . 17 1 1 A 26 26 ALA CA C 26 51.512 50.356 1.156 1
1 288 . 17 1 1 A 26 26 ALA CB C 26 18.486 21.328 -2.842 1
1 289 . 17 1 1 A 26 26 ALA N N 26 125.817 127.901 -2.084 1
1 290 . 17 1 1 A 27 27 LYS H H 27 8.347 8.400 -0.053 1
1 291 . 17 1 1 A 27 27 LYS HA H 27 4.354 4.952 -0.598 1
1 300 . 17 1 1 A 27 27 LYS C C 27 177.923 175.320 2.603 1
1 301 . 17 1 1 A 27 27 LYS CA C 27 55.413 54.405 1.008 1
1 302 . 17 1 1 A 27 27 LYS CB C 27 32.162 34.724 -2.562 1
1 306 . 17 1 1 A 27 27 LYS N N 27 121.810 122.693 -0.883 1
1 307 . 17 1 1 A 28 28 ARG H H 28 8.440 8.542 -0.102 1
1 308 . 17 1 1 A 28 28 ARG HA H 28 4.672 4.941 -0.269 1
1 315 . 17 1 1 A 28 28 ARG C C 28 177.474 175.684 1.790 1
1 316 . 17 1 1 A 28 28 ARG CA C 28 55.140 55.437 -0.297 1
1 317 . 17 1 1 A 28 28 ARG CB C 28 28.508 30.946 -2.438 1
1 318 . 17 1 1 A 28 28 ARG N N 28 122.679 124.206 -1.527 1
1 319 . 17 1 1 A 29 29 GLU H H 29 8.470 8.240 0.230 1
1 320 . 17 1 1 A 29 29 GLU HA H 29 4.391 5.073 -0.682 1
1 325 . 17 1 1 A 29 29 GLU C C 29 177.057 175.216 1.841 1
1 326 . 17 1 1 A 29 29 GLU CA C 29 55.634 54.688 0.946 1
1 327 . 17 1 1 A 29 29 GLU CB C 29 32.461 33.353 -0.892 1
1 329 . 17 1 1 A 29 29 GLU N N 29 124.395 123.415 0.980 1
1 330 . 17 1 1 A 30 30 ALA H H 30 8.485 8.635 -0.150 1
1 331 . 17 1 1 A 30 30 ALA HA H 30 4.652 4.700 -0.048 1
1 335 . 17 1 1 A 30 30 ALA CA C 30 49.523 49.355 0.168 1
1 336 . 17 1 1 A 30 30 ALA CB C 30 17.328 20.332 -3.004 1
1 337 . 17 1 1 A 30 30 ALA N N 30 128.118 127.014 1.104 1
1 338 . 17 1 1 A 31 31 PRO HA H 31 4.440 4.396 0.044 1
1 345 . 17 1 1 A 31 31 PRO C C 31 177.612 176.184 1.428 1
1 346 . 17 1 1 A 31 31 PRO CA C 31 61.605 65.257 -3.652 1
1 347 . 17 1 1 A 31 31 PRO CB C 31 31.616 32.116 -0.500 1
1 348 . 17 1 1 A 32 32 ILE H H 32 8.202 7.752 0.450 1
1 349 . 17 1 1 A 32 32 ILE HA H 32 3.503 4.710 -1.207 1
1 359 . 17 1 1 A 32 32 ILE C C 32 176.061 176.282 -0.221 1
1 360 . 17 1 1 A 32 32 ILE CA C 32 60.929 58.716 2.213 1
1 361 . 17 1 1 A 32 32 ILE CB C 32 37.219 41.274 -4.055 1
1 365 . 17 1 1 A 32 32 ILE N N 32 121.270 114.830 6.440 1
1 366 . 17 1 1 A 33 33 LYS H H 33 7.434 9.256 -1.822 1
1 367 . 17 1 1 A 33 33 LYS HA H 33 4.370 4.465 -0.095 1
1 376 . 17 1 1 A 33 33 LYS C C 33 176.960 177.517 -0.557 1
1 377 . 17 1 1 A 33 33 LYS CA C 33 56.553 59.094 -2.541 1
1 378 . 17 1 1 A 33 33 LYS CB C 33 35.043 32.501 2.542 1
1 382 . 17 1 1 A 33 33 LYS N N 33 126.133 124.354 1.779 1
1 383 . 17 1 1 A 34 34 TYR H H 34 7.974 8.599 -0.625 1
1 384 . 17 1 1 A 34 34 TYR HA H 34 4.551 4.358 0.193 1
1 389 . 17 1 1 A 34 34 TYR CA C 34 57.337 61.542 -4.205 1
1 390 . 17 1 1 A 34 34 TYR CB C 34 38.051 38.593 -0.542 1
1 393 . 17 1 1 A 34 34 TYR N N 34 121.936 120.619 1.317 1
1 394 . 17 1 1 A 35 35 TRP H H 35 7.912 8.138 -0.226 1
1 395 . 17 1 1 A 35 35 TRP HA H 35 4.687 4.508 0.179 1
1 403 . 17 1 1 A 35 35 TRP C C 35 171.862 176.123 -4.261 1
1 404 . 17 1 1 A 35 35 TRP CA C 35 56.720 60.226 -3.506 1
1 405 . 17 1 1 A 35 35 TRP CB C 35 28.638 30.711 -2.073 1
1 410 . 17 1 1 A 35 35 TRP N N 35 122.844 120.276 2.568 1
1 412 . 17 1 1 A 36 36 LEU H H 36 7.598 7.925 -0.327 1
1 413 . 17 1 1 A 36 36 LEU HA H 36 4.028 4.864 -0.836 1
1 423 . 17 1 1 A 36 36 LEU CA C 36 47.586 51.221 -3.635 1
1 424 . 17 1 1 A 36 36 LEU CB C 36 39.448 44.938 -5.490 1
1 428 . 17 1 1 A 36 36 LEU N N 36 117.117 117.992 -0.875 1
1 429 . 17 1 1 A 37 37 PRO HA H 37 4.340 4.559 -0.219 1
1 436 . 17 1 1 A 37 37 PRO C C 37 175.850 176.197 -0.347 1
1 437 . 17 1 1 A 37 37 PRO CA C 37 62.513 64.399 -1.886 1
1 438 . 17 1 1 A 37 37 PRO CB C 37 31.510 31.796 -0.286 1
1 439 . 17 1 1 A 38 38 HIS H H 38 7.704 7.818 -0.114 1
1 440 . 17 1 1 A 38 38 HIS HA H 38 4.366 4.957 -0.591 1
1 445 . 17 1 1 A 38 38 HIS C C 38 176.772 173.156 3.616 1
1 446 . 17 1 1 A 38 38 HIS CA C 38 56.604 53.922 2.682 1
1 447 . 17 1 1 A 38 38 HIS CB C 38 28.736 31.367 -2.631 1
1 450 . 17 1 1 A 38 38 HIS N N 38 111.845 116.242 -4.397 1
1 451 . 17 1 1 A 39 39 SER H H 39 6.451 8.761 -2.310 1
1 452 . 17 1 1 A 39 39 SER HA H 39 4.620 4.610 0.010 1
1 455 . 17 1 1 A 39 39 SER C C 39 176.576 174.755 1.821 1
1 456 . 17 1 1 A 39 39 SER CA C 39 56.604 59.245 -2.641 1
1 457 . 17 1 1 A 39 39 SER CB C 39 65.579 63.108 2.471 1
1 458 . 17 1 1 A 39 39 SER N N 39 113.386 120.368 -6.982 1
1 459 . 17 1 1 A 40 40 GLY H H 40 8.420 8.724 -0.304 1
1 460 . 17 1 1 A 40 40 GLY HA2 H 40 4.346 4.219 0.127 1
1 461 . 17 1 1 A 40 40 GLY HA3 H 40 3.741 4.227 -0.486 1
1 462 . 17 1 1 A 40 40 GLY C C 40 176.997 173.872 3.125 1
1 463 . 17 1 1 A 40 40 GLY CA C 40 44.153 45.465 -1.312 1
1 464 . 17 1 1 A 40 40 GLY N N 40 113.160 112.113 1.047 1
1 465 . 17 1 1 A 41 41 ALA H H 41 7.187 7.945 -0.758 1
1 466 . 17 1 1 A 41 41 ALA HA H 41 4.397 5.205 -0.808 1
1 470 . 17 1 1 A 41 41 ALA C C 41 177.989 175.389 2.600 1
1 471 . 17 1 1 A 41 41 ALA CA C 41 51.533 50.430 1.103 1
1 472 . 17 1 1 A 41 41 ALA CB C 41 17.990 21.969 -3.979 1
1 473 . 17 1 1 A 41 41 ALA N N 41 123.786 124.414 -0.628 1
1 474 . 17 1 1 A 42 42 THR H H 42 8.358 8.724 -0.366 1
1 475 . 17 1 1 A 42 42 THR HA H 42 5.612 4.833 0.779 1
1 480 . 17 1 1 A 42 42 THR C C 42 175.505 173.320 2.185 1
1 481 . 17 1 1 A 42 42 THR CA C 42 58.816 61.586 -2.770 1
1 482 . 17 1 1 A 42 42 THR CB C 42 71.944 69.623 2.321 1
1 484 . 17 1 1 A 42 42 THR N N 42 108.609 117.533 -8.924 1
1 485 . 17 1 1 A 43 43 TRP H H 43 8.625 8.850 -0.225 1
1 486 . 17 1 1 A 43 43 TRP HA H 43 5.338 5.292 0.046 1
1 494 . 17 1 1 A 43 43 TRP C C 43 177.892 174.698 3.194 1
1 495 . 17 1 1 A 43 43 TRP CA C 43 54.345 55.156 -0.811 1
1 496 . 17 1 1 A 43 43 TRP CB C 43 31.571 31.939 -0.368 1
1 501 . 17 1 1 A 43 43 TRP N N 43 117.778 131.829 -14.051 1
1 503 . 17 1 1 A 44 44 SER H H 44 8.451 9.115 -0.664 1
1 504 . 17 1 1 A 44 44 SER HA H 44 4.498 5.343 -0.845 1
1 507 . 17 1 1 A 44 44 SER C C 44 175.850 173.885 1.965 1
1 508 . 17 1 1 A 44 44 SER CA C 44 57.363 57.095 0.268 1
1 509 . 17 1 1 A 44 44 SER CB C 44 62.550 64.303 -1.753 1
1 510 . 17 1 1 A 44 44 SER N N 44 117.818 120.587 -2.769 1
1 511 . 17 1 1 A 45 45 GLY H H 45 7.513 8.069 -0.556 1
1 512 . 17 1 1 A 45 45 GLY HA2 H 45 4.344 4.091 0.253 1
1 513 . 17 1 1 A 45 45 GLY HA3 H 45 3.775 4.163 -0.388 1
1 514 . 17 1 1 A 45 45 GLY C C 45 172.858 174.043 -1.185 1
1 515 . 17 1 1 A 45 45 GLY CA C 45 44.312 45.735 -1.423 1
1 516 . 17 1 1 A 45 45 GLY N N 45 111.146 111.551 -0.405 1
1 517 . 17 1 1 A 46 46 ARG H H 46 8.534 7.907 0.627 1
1 518 . 17 1 1 A 46 46 ARG HA H 46 4.632 4.307 0.325 1
1 525 . 17 1 1 A 46 46 ARG C C 46 177.983 175.793 2.190 1
1 526 . 17 1 1 A 46 46 ARG CA C 46 53.530 55.096 -1.566 1
1 527 . 17 1 1 A 46 46 ARG CB C 46 31.064 31.134 -0.070 1
1 530 . 17 1 1 A 46 46 ARG N N 46 120.921 122.763 -1.842 1
1 531 . 17 1 1 A 47 47 GLY H H 47 8.864 8.691 0.173 1
1 532 . 17 1 1 A 47 47 GLY HA2 H 47 3.919 3.757 0.162 1
1 533 . 17 1 1 A 47 47 GLY HA3 H 47 4.336 3.792 0.544 1
1 534 . 17 1 1 A 47 47 GLY C C 47 177.440 173.365 4.075 1
1 535 . 17 1 1 A 47 47 GLY CA C 47 44.060 46.350 -2.290 1
1 536 . 17 1 1 A 47 47 GLY N N 47 111.872 113.134 -1.262 1
1 537 . 17 1 1 A 48 48 LYS H H 48 7.752 7.579 0.173 1
1 538 . 17 1 1 A 48 48 LYS HA H 48 4.274 4.325 -0.051 1
1 547 . 17 1 1 A 48 48 LYS C C 48 178.053 175.389 2.664 1
1 548 . 17 1 1 A 48 48 LYS CA C 48 55.302 55.397 -0.095 1
1 549 . 17 1 1 A 48 48 LYS CB C 48 32.162 32.241 -0.079 1
1 550 . 17 1 1 A 48 48 LYS N N 48 125.971 121.304 4.667 1
1 551 . 17 1 1 A 49 49 ILE H H 49 8.236 8.768 -0.532 1
1 552 . 17 1 1 A 49 49 ILE HA H 49 2.797 4.730 -1.933 1
1 562 . 17 1 1 A 49 49 ILE CA C 49 58.222 57.872 0.350 1
1 563 . 17 1 1 A 49 49 ILE CB C 49 37.578 39.252 -1.674 1
1 567 . 17 1 1 A 49 49 ILE N N 49 126.182 126.411 -0.229 1
1 568 . 17 1 1 A 50 50 PRO HA H 50 4.344 4.591 -0.247 1
1 571 . 17 1 1 A 50 50 PRO C C 50 178.547 176.427 2.120 1
1 572 . 17 1 1 A 50 50 PRO CA C 50 60.998 62.894 -1.896 1
1 573 . 17 1 1 A 50 50 PRO CB C 50 32.796 30.082 2.714 1
1 575 . 17 1 1 A 51 51 LYS H H 51 9.065 8.181 0.884 1
1 576 . 17 1 1 A 51 51 LYS HA H 51 4.870 4.067 0.803 1
1 581 . 17 1 1 A 51 51 LYS CA C 51 59.788 60.304 -0.516 1
1 582 . 17 1 1 A 51 51 LYS CB C 51 28.838 30.812 -1.974 1
1 583 . 17 1 1 A 51 51 LYS N N 51 125.299 122.338 2.961 1
1 584 . 17 1 1 A 52 52 PRO HA H 52 4.391 4.348 0.043 1
1 591 . 17 1 1 A 52 52 PRO C C 52 181.184 179.068 2.116 1
1 592 . 17 1 1 A 52 52 PRO CA C 52 64.975 65.533 -0.558 1
1 593 . 17 1 1 A 52 52 PRO CB C 52 30.072 30.995 -0.923 1
1 595 . 17 1 1 A 53 53 PHE H H 53 7.144 7.551 -0.407 1
1 596 . 17 1 1 A 53 53 PHE HA H 53 3.875 4.020 -0.145 1
1 601 . 17 1 1 A 53 53 PHE C C 53 177.838 177.744 0.094 1
1 602 . 17 1 1 A 53 53 PHE CA C 53 60.265 61.568 -1.303 1
1 603 . 17 1 1 A 53 53 PHE CB C 53 37.091 39.488 -2.397 1
1 606 . 17 1 1 A 53 53 PHE N N 53 116.868 118.442 -1.574 1
1 607 . 17 1 1 A 54 54 GLU H H 54 7.788 8.619 -0.831 1
1 608 . 17 1 1 A 54 54 GLU HA H 54 3.997 3.904 0.093 1
1 613 . 17 1 1 A 54 54 GLU C C 54 180.998 178.773 2.225 1
1 614 . 17 1 1 A 54 54 GLU CA C 54 58.691 58.835 -0.144 1
1 615 . 17 1 1 A 54 54 GLU CB C 54 29.328 29.491 -0.163 1
1 617 . 17 1 1 A 54 54 GLU N N 54 120.523 119.259 1.264 1
1 618 . 17 1 1 A 55 55 ALA H H 55 8.379 7.784 0.595 1
1 619 . 17 1 1 A 55 55 ALA HA H 55 4.086 4.008 0.078 1
1 623 . 17 1 1 A 55 55 ALA C C 55 180.899 179.019 1.880 1
1 624 . 17 1 1 A 55 55 ALA CA C 55 53.119 55.095 -1.976 1
1 625 . 17 1 1 A 55 55 ALA CB C 55 17.854 18.307 -0.453 1
1 626 . 17 1 1 A 55 55 ALA N N 55 119.006 121.722 -2.716 1
1 627 . 17 1 1 A 56 56 TRP H H 56 7.575 7.718 -0.143 1
1 628 . 17 1 1 A 56 56 TRP HA H 56 4.616 4.336 0.280 1
1 634 . 17 1 1 A 56 56 TRP C C 56 179.334 178.019 1.315 1
1 635 . 17 1 1 A 56 56 TRP CA C 56 59.039 61.023 -1.984 1
1 636 . 17 1 1 A 56 56 TRP CB C 56 27.791 29.481 -1.690 1
1 639 . 17 1 1 A 56 56 TRP N N 56 119.770 119.952 -0.182 1
1 641 . 17 1 1 A 57 57 ILE H H 57 7.291 8.075 -0.784 1
1 642 . 17 1 1 A 57 57 ILE HA H 57 2.517 3.801 -1.284 1
1 651 . 17 1 1 A 57 57 ILE C C 57 177.768 177.384 0.384 1
1 652 . 17 1 1 A 57 57 ILE CA C 57 62.722 63.876 -1.154 1
1 653 . 17 1 1 A 57 57 ILE CB C 57 36.507 36.801 -0.294 1
1 657 . 17 1 1 A 57 57 ILE N N 57 117.374 118.259 -0.885 1
1 658 . 17 1 1 A 58 58 GLY H H 58 6.565 7.700 -1.135 1
1 659 . 17 1 1 A 58 58 GLY HA2 H 58 3.985 3.881 0.104 1
1 660 . 17 1 1 A 58 58 GLY HA3 H 58 4.069 3.964 0.105 1
1 661 . 17 1 1 A 58 58 GLY C C 58 178.787 175.679 3.108 1
1 662 . 17 1 1 A 58 58 GLY CA C 58 43.958 45.373 -1.415 1
1 663 . 17 1 1 A 58 58 GLY N N 58 110.422 109.460 0.962 1
1 664 . 17 1 1 A 59 59 THR H H 59 7.629 7.898 -0.269 1
1 665 . 17 1 1 A 59 59 THR HA H 59 4.554 3.916 0.638 1
1 670 . 17 1 1 A 59 59 THR CA C 59 60.466 65.245 -4.779 1
1 671 . 17 1 1 A 59 59 THR CB C 59 71.728 68.430 3.298 1
1 672 . 17 1 1 A 59 59 THR N N 59 111.600 117.422 -5.822 1
1 673 . 17 1 1 A 60 60 ALA H H 60 9.010 7.284 1.726 1
1 674 . 17 1 1 A 60 60 ALA HA H 60 4.917 4.459 0.458 1
1 678 . 17 1 1 A 60 60 ALA C C 60 182.933 178.523 4.410 1
1 679 . 17 1 1 A 60 60 ALA CA C 60 54.222 52.902 1.320 1
1 680 . 17 1 1 A 60 60 ALA CB C 60 18.122 20.707 -2.585 1
1 681 . 17 1 1 A 60 60 ALA N N 60 125.890 120.729 5.161 1
1 682 . 17 1 1 A 61 61 ALA H H 61 8.368 7.922 0.446 1
1 683 . 17 1 1 A 61 61 ALA HA H 61 4.256 4.096 0.160 1
1 687 . 17 1 1 A 61 61 ALA C C 61 182.536 179.343 3.193 1
1 688 . 17 1 1 A 61 61 ALA CA C 61 54.071 54.932 -0.861 1
1 689 . 17 1 1 A 61 61 ALA CB C 61 18.122 18.157 -0.035 1
1 690 . 17 1 1 A 61 61 ALA N N 61 121.272 120.584 0.688 1
1 691 . 17 1 1 A 62 62 TYR H H 62 7.310 8.271 -0.961 1
1 692 . 17 1 1 A 62 62 TYR HA H 62 3.381 4.087 -0.706 1
1 697 . 17 1 1 A 62 62 TYR C C 62 177.889 177.317 0.572 1
1 698 . 17 1 1 A 62 62 TYR CA C 62 60.203 61.759 -1.556 1
1 699 . 17 1 1 A 62 62 TYR CB C 62 36.771 38.549 -1.778 1
1 702 . 17 1 1 A 62 62 TYR N N 62 122.066 120.608 1.458 1
1 703 . 17 1 1 A 63 63 THR H H 63 8.303 8.301 0.002 1
1 704 . 17 1 1 A 63 63 THR HA H 63 4.405 3.762 0.643 1
1 709 . 17 1 1 A 63 63 THR C C 63 178.200 177.276 0.924 1
1 710 . 17 1 1 A 63 63 THR CA C 63 65.547 65.581 -0.034 1
1 711 . 17 1 1 A 63 63 THR CB C 63 67.470 68.763 -1.293 1
1 712 . 17 1 1 A 63 63 THR N N 63 117.473 114.309 3.164 1
1 713 . 17 1 1 A 64 64 ALA H H 64 7.931 7.571 0.360 1
1 714 . 17 1 1 A 64 64 ALA HA H 64 4.220 4.021 0.199 1
1 718 . 17 1 1 A 64 64 ALA C C 64 181.966 179.358 2.608 1
1 719 . 17 1 1 A 64 64 ALA CA C 64 53.966 54.877 -0.911 1
1 720 . 17 1 1 A 64 64 ALA CB C 64 17.432 18.351 -0.919 1
1 721 . 17 1 1 A 64 64 ALA N N 64 123.649 122.961 0.688 1
1 722 . 17 1 1 A 65 65 TRP H H 65 8.049 8.413 -0.364 1
1 723 . 17 1 1 A 65 65 TRP HA H 65 4.294 4.136 0.158 1
1 729 . 17 1 1 A 65 65 TRP C C 65 181.255 178.531 2.724 1
1 730 . 17 1 1 A 65 65 TRP CA C 65 61.458 61.376 0.082 1
1 731 . 17 1 1 A 65 65 TRP CB C 65 27.748 29.642 -1.894 1
1 734 . 17 1 1 A 65 65 TRP N N 65 121.372 120.246 1.126 1
1 736 . 17 1 1 A 66 66 LYS H H 66 9.624 8.509 1.115 1
1 737 . 17 1 1 A 66 66 LYS HA H 66 4.352 4.201 0.151 1
1 745 . 17 1 1 A 66 66 LYS C C 66 180.615 179.129 1.486 1
1 746 . 17 1 1 A 66 66 LYS CA C 66 56.030 59.565 -3.535 1
1 747 . 17 1 1 A 66 66 LYS CB C 66 30.842 31.823 -0.981 1
1 751 . 17 1 1 A 66 66 LYS N N 66 123.631 118.335 5.296 1
1 752 . 17 1 1 A 67 67 ALA H H 67 8.822 7.545 1.277 1
1 753 . 17 1 1 A 67 67 ALA HA H 67 4.027 3.998 0.029 1
1 757 . 17 1 1 A 67 67 ALA C C 67 180.899 179.484 1.415 1
1 758 . 17 1 1 A 67 67 ALA CA C 67 53.759 55.065 -1.306 1
1 759 . 17 1 1 A 67 67 ALA CB C 67 17.534 18.141 -0.607 1
1 760 . 17 1 1 A 67 67 ALA N N 67 120.803 122.109 -1.306 1
1 761 . 17 1 1 A 68 68 LYS H H 68 6.888 7.812 -0.924 1
1 762 . 17 1 1 A 68 68 LYS HA H 68 4.233 4.105 0.128 1
1 771 . 17 1 1 A 68 68 LYS C C 68 175.989 176.210 -0.221 1
1 772 . 17 1 1 A 68 68 LYS CA C 68 54.355 57.672 -3.317 1
1 773 . 17 1 1 A 68 68 LYS CB C 68 33.056 33.213 -0.157 1
1 777 . 17 1 1 A 68 68 LYS N N 68 113.741 114.848 -1.107 1
1 778 . 17 1 1 A 69 69 HIS H H 69 7.111 7.640 -0.529 1
1 779 . 17 1 1 A 69 69 HIS HA H 69 4.768 4.929 -0.161 1
1 784 . 17 1 1 A 69 69 HIS CA C 69 52.654 53.714 -1.060 1
1 785 . 17 1 1 A 69 69 HIS CB C 69 27.381 32.653 -5.272 1
1 788 . 17 1 1 A 69 69 HIS N N 69 120.596 115.372 5.224 1
1 789 . 17 1 1 A 70 70 PRO HA H 70 4.230 4.668 -0.438 1
1 796 . 17 1 1 A 70 70 PRO C C 70 179.651 175.801 3.850 1
1 797 . 17 1 1 A 70 70 PRO CA C 70 64.184 62.315 1.869 1
1 798 . 17 1 1 A 70 70 PRO CB C 70 30.854 33.142 -2.288 1
1 800 . 17 1 1 A 71 71 ASP H H 71 8.619 8.542 0.077 1
1 801 . 17 1 1 A 71 71 ASP HA H 71 4.917 4.743 0.174 1
1 804 . 17 1 1 A 71 71 ASP C C 71 177.057 176.393 0.664 1
1 805 . 17 1 1 A 71 71 ASP CA C 71 52.975 53.016 -0.041 1
1 806 . 17 1 1 A 71 71 ASP CB C 71 40.475 39.338 1.137 1
1 807 . 17 1 1 A 71 71 ASP N N 71 116.294 120.559 -4.265 1
1 808 . 17 1 1 A 72 72 GLU H H 72 7.389 8.602 -1.213 1
1 809 . 17 1 1 A 72 72 GLU HA H 72 4.920 4.480 0.440 1
1 814 . 17 1 1 A 72 72 GLU C C 72 176.986 176.995 -0.009 1
1 815 . 17 1 1 A 72 72 GLU CA C 72 54.236 58.179 -3.943 1
1 816 . 17 1 1 A 72 72 GLU CB C 72 33.622 31.148 2.474 1
1 818 . 17 1 1 A 72 72 GLU N N 72 120.136 125.801 -5.665 1
1 819 . 17 1 1 A 73 73 LYS H H 73 9.155 7.622 1.533 1
1 820 . 17 1 1 A 73 73 LYS HA H 73 4.245 3.981 0.264 1
1 829 . 17 1 1 A 73 73 LYS C C 73 176.680 176.141 0.539 1
1 830 . 17 1 1 A 73 73 LYS CA C 73 57.999 56.361 1.638 1
1 831 . 17 1 1 A 73 73 LYS CB C 73 33.418 31.907 1.511 1
1 835 . 17 1 1 A 73 73 LYS N N 73 121.554 119.902 1.652 1
1 836 . 17 1 1 A 74 74 PHE H H 74 7.171 8.703 -1.532 1
1 837 . 17 1 1 A 74 74 PHE HA H 74 4.600 4.553 0.047 1
1 843 . 17 1 1 A 74 74 PHE CA C 74 55.159 57.239 -2.080 1
1 844 . 17 1 1 A 74 74 PHE CB C 74 40.451 40.320 0.131 1
1 848 . 17 1 1 A 74 74 PHE N N 74 111.944 127.365 -15.421 1
1 849 . 17 1 1 A 75 75 PRO HA H 75 4.640 4.388 0.252 1
1 856 . 17 1 1 A 75 75 PRO C C 75 176.914 174.742 2.172 1
1 857 . 17 1 1 A 75 75 PRO CA C 75 62.713 62.073 0.640 1
1 858 . 17 1 1 A 75 75 PRO CB C 75 30.073 28.846 1.227 1
1 860 . 17 1 1 A 76 76 ALA H H 76 9.039 8.618 0.421 1
1 861 . 17 1 1 A 76 76 ALA HA H 76 4.870 5.156 -0.286 1
1 865 . 17 1 1 A 76 76 ALA C C 76 179.974 177.042 2.932 1
1 866 . 17 1 1 A 76 76 ALA CA C 76 50.923 50.618 0.305 1
1 867 . 17 1 1 A 76 76 ALA CB C 76 18.130 20.986 -2.856 1
1 868 . 17 1 1 A 76 76 ALA N N 76 128.387 124.990 3.397 1
1 869 . 17 1 1 A 77 77 PHE H H 77 8.117 8.752 -0.635 1
1 870 . 17 1 1 A 77 77 PHE HA H 77 4.915 5.226 -0.311 1
1 875 . 17 1 1 A 77 77 PHE CA C 77 53.371 54.768 -1.397 1
1 876 . 17 1 1 A 77 77 PHE CB C 77 36.523 41.011 -4.488 1
1 878 . 17 1 1 A 77 77 PHE N N 77 125.115 118.866 6.249 1
1 879 . 17 1 1 A 78 78 PRO HA H 78 4.245 4.785 -0.540 1
1 886 . 17 1 1 A 78 78 PRO C C 78 176.487 176.026 0.461 1
1 887 . 17 1 1 A 78 78 PRO CA C 78 62.480 62.332 0.148 1
1 888 . 17 1 1 A 78 78 PRO CB C 78 30.324 31.756 -1.432 1
1 13 . 18 1 1 A 2 2 ASN H H 2 9.438 9.262 0.176 1
1 14 . 18 1 1 A 2 2 ASN HA H 2 5.912 4.682 1.230 1
1 19 . 18 1 1 A 2 2 ASN C C 2 175.436 175.388 0.048 1
1 20 . 18 1 1 A 2 2 ASN CA C 2 54.299 55.731 -1.432 1
1 21 . 18 1 1 A 2 2 ASN CB C 2 38.092 39.014 -0.922 1
1 22 . 18 1 1 A 2 2 ASN N N 2 121.344 119.520 1.824 1
1 24 . 18 1 1 A 3 3 VAL H H 3 8.328 7.955 0.373 1
1 25 . 18 1 1 A 3 3 VAL HA H 3 4.161 5.074 -0.913 1
1 30 . 18 1 1 A 3 3 VAL C C 3 178.200 174.530 3.670 1
1 31 . 18 1 1 A 3 3 VAL CA C 3 61.577 60.719 0.858 1
1 32 . 18 1 1 A 3 3 VAL CB C 3 32.162 33.482 -1.320 1
1 34 . 18 1 1 A 3 3 VAL N N 3 122.195 117.976 4.219 1
1 35 . 18 1 1 A 4 4 LYS H H 4 8.474 8.738 -0.264 1
1 36 . 18 1 1 A 4 4 LYS HA H 4 4.283 4.959 -0.676 1
1 44 . 18 1 1 A 4 4 LYS C C 4 177.509 175.904 1.605 1
1 45 . 18 1 1 A 4 4 LYS CA C 4 55.197 54.657 0.540 1
1 46 . 18 1 1 A 4 4 LYS CB C 4 30.194 35.192 -4.998 1
1 47 . 18 1 1 A 4 4 LYS N N 4 122.239 128.342 -6.103 1
1 48 . 18 1 1 A 5 5 GLN H H 5 8.507 8.537 -0.030 1
1 49 . 18 1 1 A 5 5 GLN HA H 5 4.383 4.464 -0.081 1
1 56 . 18 1 1 A 5 5 GLN C C 5 177.440 176.417 1.023 1
1 57 . 18 1 1 A 5 5 GLN CA C 5 55.081 56.004 -0.923 1
1 58 . 18 1 1 A 5 5 GLN CB C 5 29.505 29.671 -0.166 1
1 60 . 18 1 1 A 5 5 GLN N N 5 123.847 123.790 0.057 1
1 62 . 18 1 1 A 6 6 LYS H H 6 8.407 8.735 -0.328 1
1 63 . 18 1 1 A 6 6 LYS HA H 6 4.392 4.554 -0.162 1
1 72 . 18 1 1 A 6 6 LYS C C 6 178.373 175.915 2.458 1
1 73 . 18 1 1 A 6 6 LYS CA C 6 61.491 56.979 4.512 1
1 74 . 18 1 1 A 6 6 LYS CB C 6 31.993 33.199 -1.206 1
1 78 . 18 1 1 A 6 6 LYS N N 6 123.099 122.349 0.750 1
1 79 . 18 1 1 A 7 7 SER H H 7 8.516 9.047 -0.531 1
1 80 . 18 1 1 A 7 7 SER HA H 7 4.483 5.222 -0.739 1
1 83 . 18 1 1 A 7 7 SER C C 7 175.401 173.488 1.913 1
1 84 . 18 1 1 A 7 7 SER CA C 7 57.370 57.712 -0.342 1
1 85 . 18 1 1 A 7 7 SER CB C 7 62.979 65.406 -2.427 1
1 86 . 18 1 1 A 7 7 SER N N 7 117.184 120.776 -3.592 1
1 87 . 18 1 1 A 8 8 GLU H H 8 8.548 9.247 -0.699 1
1 88 . 18 1 1 A 8 8 GLU HA H 8 4.397 5.152 -0.755 1
1 93 . 18 1 1 A 8 8 GLU C C 8 177.785 175.577 2.208 1
1 94 . 18 1 1 A 8 8 GLU CA C 8 55.856 55.256 0.600 1
1 95 . 18 1 1 A 8 8 GLU CB C 8 29.726 30.951 -1.225 1
1 97 . 18 1 1 A 8 8 GLU N N 8 123.697 124.868 -1.171 1
1 98 . 18 1 1 A 9 9 ILE H H 9 8.279 8.873 -0.594 1
1 99 . 18 1 1 A 9 9 ILE HA H 9 4.276 4.651 -0.375 1
1 109 . 18 1 1 A 9 9 ILE C C 9 177.958 175.869 2.089 1
1 110 . 18 1 1 A 9 9 ILE CA C 9 60.538 60.064 0.474 1
1 111 . 18 1 1 A 9 9 ILE CB C 9 37.725 40.387 -2.662 1
1 115 . 18 1 1 A 9 9 ILE N N 9 122.616 125.348 -2.732 1
1 116 . 18 1 1 A 10 10 THR H H 10 8.255 8.749 -0.494 1
1 117 . 18 1 1 A 10 10 THR HA H 10 4.592 4.433 0.159 1
1 122 . 18 1 1 A 10 10 THR C C 10 174.993 174.031 0.962 1
1 123 . 18 1 1 A 10 10 THR CA C 10 61.010 62.619 -1.609 1
1 124 . 18 1 1 A 10 10 THR CB C 10 68.505 69.471 -0.966 1
1 126 . 18 1 1 A 10 10 THR N N 10 119.401 121.918 -2.517 1
1 127 . 18 1 1 A 11 11 ALA H H 11 8.308 8.294 0.014 1
1 128 . 18 1 1 A 11 11 ALA HA H 11 4.400 4.526 -0.126 1
1 132 . 18 1 1 A 11 11 ALA C C 11 178.822 177.533 1.289 1
1 133 . 18 1 1 A 11 11 ALA CA C 11 51.438 52.525 -1.087 1
1 134 . 18 1 1 A 11 11 ALA CB C 11 18.303 18.888 -0.585 1
1 135 . 18 1 1 A 11 11 ALA N N 11 127.285 127.270 0.015 1
1 136 . 18 1 1 A 12 12 LEU H H 12 8.228 8.727 -0.499 1
1 137 . 18 1 1 A 12 12 LEU HA H 12 4.457 4.742 -0.285 1
1 147 . 18 1 1 A 12 12 LEU C C 12 178.787 176.203 2.584 1
1 148 . 18 1 1 A 12 12 LEU CA C 12 54.261 53.874 0.387 1
1 149 . 18 1 1 A 12 12 LEU CB C 12 41.457 43.171 -1.714 1
1 152 . 18 1 1 A 12 12 LEU N N 12 122.431 123.870 -1.439 1
1 153 . 18 1 1 A 13 13 VAL H H 13 8.171 8.254 -0.083 1
1 154 . 18 1 1 A 13 13 VAL HA H 13 4.164 4.074 0.090 1
1 159 . 18 1 1 A 13 13 VAL C C 13 177.412 175.511 1.901 1
1 160 . 18 1 1 A 13 13 VAL CA C 13 61.489 62.461 -0.972 1
1 161 . 18 1 1 A 13 13 VAL CB C 13 31.791 32.288 -0.497 1
1 163 . 18 1 1 A 13 13 VAL N N 13 122.619 120.354 2.265 1
1 164 . 18 1 1 A 14 14 LYS H H 14 8.459 8.657 -0.198 1
1 165 . 18 1 1 A 14 14 LYS HA H 14 4.375 4.431 -0.056 1
1 174 . 18 1 1 A 14 14 LYS C C 14 177.509 176.347 1.162 1
1 175 . 18 1 1 A 14 14 LYS CA C 14 55.532 56.282 -0.750 1
1 176 . 18 1 1 A 14 14 LYS CB C 14 32.114 32.859 -0.745 1
1 180 . 18 1 1 A 14 14 LYS N N 14 125.566 125.058 0.508 1
1 181 . 18 1 1 A 15 15 GLU H H 15 8.434 8.722 -0.288 1
1 182 . 18 1 1 A 15 15 GLU HA H 15 4.380 4.701 -0.321 1
1 187 . 18 1 1 A 15 15 GLU C C 15 177.440 176.132 1.308 1
1 188 . 18 1 1 A 15 15 GLU CA C 15 55.302 55.996 -0.694 1
1 189 . 18 1 1 A 15 15 GLU CB C 15 29.616 30.698 -1.082 1
1 190 . 18 1 1 A 15 15 GLU N N 15 123.950 126.059 -2.109 1
1 191 . 18 1 1 A 16 16 VAL H H 16 8.326 8.667 -0.341 1
1 192 . 18 1 1 A 16 16 VAL HA H 16 4.205 4.568 -0.363 1
1 197 . 18 1 1 A 16 16 VAL CA C 16 61.613 60.228 1.385 1
1 198 . 18 1 1 A 16 16 VAL CB C 16 32.231 35.528 -3.297 1
1 199 . 18 1 1 A 16 16 VAL N N 16 123.175 123.744 -0.569 1
1 200 . 18 1 1 A 17 17 THR H H 17 8.171 9.076 -0.905 1
1 201 . 18 1 1 A 17 17 THR HA H 17 4.470 4.055 0.415 1
1 206 . 18 1 1 A 17 17 THR CA C 17 57.893 67.453 -9.560 1
1 207 . 18 1 1 A 17 17 THR CB C 17 70.047 67.133 2.914 1
1 208 . 18 1 1 A 17 17 THR N N 17 119.533 118.416 1.117 1
1 209 . 18 1 1 A 19 19 PRO HA H 19 4.355 4.776 -0.421 1
1 212 . 18 1 1 A 19 19 PRO C C 19 177.057 175.733 1.324 1
1 213 . 18 1 1 A 19 19 PRO CA C 19 61.531 62.471 -0.940 1
1 214 . 18 1 1 A 19 19 PRO CB C 19 31.869 29.457 2.412 1
1 215 . 18 1 1 A 20 20 ARG H H 20 8.435 8.635 -0.200 1
1 216 . 18 1 1 A 20 20 ARG HA H 20 4.391 4.663 -0.272 1
1 223 . 18 1 1 A 20 20 ARG C C 20 177.509 173.752 3.757 1
1 224 . 18 1 1 A 20 20 ARG CA C 20 55.300 55.472 -0.172 1
1 225 . 18 1 1 A 20 20 ARG CB C 20 32.492 33.247 -0.755 1
1 228 . 18 1 1 A 20 20 ARG N N 20 126.489 122.768 3.721 1
1 229 . 18 1 1 A 21 21 LYS H H 21 8.426 8.962 -0.536 1
1 230 . 18 1 1 A 21 21 LYS HA H 21 4.397 5.007 -0.610 1
1 239 . 18 1 1 A 21 21 LYS C C 21 177.412 175.564 1.848 1
1 240 . 18 1 1 A 21 21 LYS CA C 21 55.296 54.432 0.864 1
1 241 . 18 1 1 A 21 21 LYS CB C 21 29.837 34.639 -4.802 1
1 244 . 18 1 1 A 21 21 LYS N N 21 123.626 126.370 -2.744 1
1 245 . 18 1 1 A 22 22 ALA H H 22 8.378 9.022 -0.644 1
1 246 . 18 1 1 A 22 22 ALA HA H 22 4.628 4.903 -0.275 1
1 250 . 18 1 1 A 22 22 ALA CA C 22 49.376 49.719 -0.343 1
1 251 . 18 1 1 A 22 22 ALA CB C 22 17.501 20.818 -3.317 1
1 252 . 18 1 1 A 22 22 ALA N N 22 127.197 127.582 -0.385 1
1 253 . 18 1 1 A 23 23 PRO HA H 23 4.219 4.890 -0.671 1
1 257 . 18 1 1 A 23 23 PRO C C 23 177.440 175.489 1.951 1
1 258 . 18 1 1 A 23 23 PRO CA C 23 61.724 62.301 -0.577 1
1 259 . 18 1 1 A 23 23 PRO CB C 23 32.162 31.626 0.536 1
1 260 . 18 1 1 A 24 24 SER H H 24 8.425 8.871 -0.446 1
1 261 . 18 1 1 A 24 24 SER HA H 24 4.344 5.105 -0.761 1
1 264 . 18 1 1 A 24 24 SER C C 24 175.610 173.008 2.602 1
1 265 . 18 1 1 A 24 24 SER CA C 24 58.845 56.578 2.267 1
1 266 . 18 1 1 A 24 24 SER CB C 24 68.920 65.840 3.080 1
1 267 . 18 1 1 A 24 24 SER N N 24 122.433 117.661 4.772 1
1 268 . 18 1 1 A 25 25 LYS H H 25 8.323 8.365 -0.042 1
1 269 . 18 1 1 A 25 25 LYS HA H 25 4.137 4.512 -0.375 1
1 276 . 18 1 1 A 25 25 LYS C C 25 177.462 175.270 2.192 1
1 277 . 18 1 1 A 25 25 LYS CA C 25 55.504 56.206 -0.702 1
1 278 . 18 1 1 A 25 25 LYS CB C 25 32.155 32.886 -0.731 1
1 281 . 18 1 1 A 25 25 LYS N N 25 121.718 124.648 -2.930 1
1 282 . 18 1 1 A 26 26 ALA H H 26 8.333 8.788 -0.455 1
1 283 . 18 1 1 A 26 26 ALA HA H 26 4.334 5.580 -1.246 1
1 287 . 18 1 1 A 26 26 ALA CA C 26 51.512 50.505 1.007 1
1 288 . 18 1 1 A 26 26 ALA CB C 26 18.486 21.286 -2.800 1
1 289 . 18 1 1 A 26 26 ALA N N 26 125.817 128.858 -3.041 1
1 290 . 18 1 1 A 27 27 LYS H H 27 8.347 8.434 -0.087 1
1 291 . 18 1 1 A 27 27 LYS HA H 27 4.354 5.050 -0.696 1
1 300 . 18 1 1 A 27 27 LYS C C 27 177.923 175.342 2.581 1
1 301 . 18 1 1 A 27 27 LYS CA C 27 55.413 54.388 1.025 1
1 302 . 18 1 1 A 27 27 LYS CB C 27 32.162 35.004 -2.842 1
1 306 . 18 1 1 A 27 27 LYS N N 27 121.810 122.362 -0.552 1
1 307 . 18 1 1 A 28 28 ARG H H 28 8.440 8.582 -0.142 1
1 308 . 18 1 1 A 28 28 ARG HA H 28 4.672 4.938 -0.266 1
1 315 . 18 1 1 A 28 28 ARG C C 28 177.474 175.263 2.211 1
1 316 . 18 1 1 A 28 28 ARG CA C 28 55.140 55.175 -0.035 1
1 317 . 18 1 1 A 28 28 ARG CB C 28 28.508 31.030 -2.522 1
1 318 . 18 1 1 A 28 28 ARG N N 28 122.679 124.050 -1.371 1
1 319 . 18 1 1 A 29 29 GLU H H 29 8.470 8.903 -0.433 1
1 320 . 18 1 1 A 29 29 GLU HA H 29 4.391 5.218 -0.827 1
1 325 . 18 1 1 A 29 29 GLU C C 29 177.057 174.973 2.084 1
1 326 . 18 1 1 A 29 29 GLU CA C 29 55.634 54.700 0.934 1
1 327 . 18 1 1 A 29 29 GLU CB C 29 32.461 33.557 -1.096 1
1 329 . 18 1 1 A 29 29 GLU N N 29 124.395 123.267 1.128 1
1 330 . 18 1 1 A 30 30 ALA H H 30 8.485 8.627 -0.142 1
1 331 . 18 1 1 A 30 30 ALA HA H 30 4.652 4.731 -0.079 1
1 335 . 18 1 1 A 30 30 ALA CA C 30 49.523 48.943 0.580 1
1 336 . 18 1 1 A 30 30 ALA CB C 30 17.328 20.223 -2.895 1
1 337 . 18 1 1 A 30 30 ALA N N 30 128.118 126.023 2.095 1
1 338 . 18 1 1 A 31 31 PRO HA H 31 4.440 4.661 -0.221 1
1 345 . 18 1 1 A 31 31 PRO C C 31 177.612 176.006 1.606 1
1 346 . 18 1 1 A 31 31 PRO CA C 31 61.605 65.086 -3.481 1
1 347 . 18 1 1 A 31 31 PRO CB C 31 31.616 32.084 -0.468 1
1 348 . 18 1 1 A 32 32 ILE H H 32 8.202 7.844 0.358 1
1 349 . 18 1 1 A 32 32 ILE HA H 32 3.503 4.802 -1.299 1
1 359 . 18 1 1 A 32 32 ILE C C 32 176.061 176.316 -0.255 1
1 360 . 18 1 1 A 32 32 ILE CA C 32 60.929 59.148 1.781 1
1 361 . 18 1 1 A 32 32 ILE CB C 32 37.219 40.998 -3.779 1
1 365 . 18 1 1 A 32 32 ILE N N 32 121.270 114.978 6.292 1
1 366 . 18 1 1 A 33 33 LYS H H 33 7.434 9.173 -1.739 1
1 367 . 18 1 1 A 33 33 LYS HA H 33 4.370 4.429 -0.059 1
1 376 . 18 1 1 A 33 33 LYS C C 33 176.960 177.546 -0.586 1
1 377 . 18 1 1 A 33 33 LYS CA C 33 56.553 59.060 -2.507 1
1 378 . 18 1 1 A 33 33 LYS CB C 33 35.043 32.364 2.679 1
1 382 . 18 1 1 A 33 33 LYS N N 33 126.133 126.032 0.101 1
1 383 . 18 1 1 A 34 34 TYR H H 34 7.974 8.506 -0.532 1
1 384 . 18 1 1 A 34 34 TYR HA H 34 4.551 4.170 0.381 1
1 389 . 18 1 1 A 34 34 TYR CA C 34 57.337 61.470 -4.133 1
1 390 . 18 1 1 A 34 34 TYR CB C 34 38.051 38.221 -0.170 1
1 393 . 18 1 1 A 34 34 TYR N N 34 121.936 120.511 1.425 1
1 394 . 18 1 1 A 35 35 TRP H H 35 7.912 8.081 -0.169 1
1 395 . 18 1 1 A 35 35 TRP HA H 35 4.687 4.377 0.310 1
1 403 . 18 1 1 A 35 35 TRP C C 35 171.862 175.664 -3.802 1
1 404 . 18 1 1 A 35 35 TRP CA C 35 56.720 60.180 -3.460 1
1 405 . 18 1 1 A 35 35 TRP CB C 35 28.638 30.925 -2.287 1
1 410 . 18 1 1 A 35 35 TRP N N 35 122.844 121.342 1.502 1
1 412 . 18 1 1 A 36 36 LEU H H 36 7.598 8.163 -0.565 1
1 413 . 18 1 1 A 36 36 LEU HA H 36 4.028 4.930 -0.902 1
1 423 . 18 1 1 A 36 36 LEU CA C 36 47.586 51.222 -3.636 1
1 424 . 18 1 1 A 36 36 LEU CB C 36 39.448 44.654 -5.206 1
1 428 . 18 1 1 A 36 36 LEU N N 36 117.117 118.179 -1.062 1
1 429 . 18 1 1 A 37 37 PRO HA H 37 4.340 4.550 -0.210 1
1 436 . 18 1 1 A 37 37 PRO C C 37 175.850 176.115 -0.265 1
1 437 . 18 1 1 A 37 37 PRO CA C 37 62.513 64.338 -1.825 1
1 438 . 18 1 1 A 37 37 PRO CB C 37 31.510 31.751 -0.241 1
1 439 . 18 1 1 A 38 38 HIS H H 38 7.704 7.799 -0.095 1
1 440 . 18 1 1 A 38 38 HIS HA H 38 4.366 5.000 -0.634 1
1 445 . 18 1 1 A 38 38 HIS C C 38 176.772 173.330 3.442 1
1 446 . 18 1 1 A 38 38 HIS CA C 38 56.604 54.332 2.272 1
1 447 . 18 1 1 A 38 38 HIS CB C 38 28.736 32.558 -3.822 1
1 450 . 18 1 1 A 38 38 HIS N N 38 111.845 116.980 -5.135 1
1 451 . 18 1 1 A 39 39 SER H H 39 6.451 8.966 -2.515 1
1 452 . 18 1 1 A 39 39 SER HA H 39 4.620 5.071 -0.451 1
1 455 . 18 1 1 A 39 39 SER C C 39 176.576 173.864 2.712 1
1 456 . 18 1 1 A 39 39 SER CA C 39 56.604 57.474 -0.870 1
1 457 . 18 1 1 A 39 39 SER CB C 39 65.579 64.227 1.352 1
1 458 . 18 1 1 A 39 39 SER N N 39 113.386 120.335 -6.949 1
1 459 . 18 1 1 A 40 40 GLY H H 40 8.420 8.484 -0.064 1
1 460 . 18 1 1 A 40 40 GLY HA2 H 40 4.346 4.208 0.138 1
1 461 . 18 1 1 A 40 40 GLY HA3 H 40 3.741 4.232 -0.491 1
1 462 . 18 1 1 A 40 40 GLY C C 40 176.997 172.928 4.069 1
1 463 . 18 1 1 A 40 40 GLY CA C 40 44.153 45.632 -1.479 1
1 464 . 18 1 1 A 40 40 GLY N N 40 113.160 111.440 1.720 1
1 465 . 18 1 1 A 41 41 ALA H H 41 7.187 8.648 -1.461 1
1 466 . 18 1 1 A 41 41 ALA HA H 41 4.397 4.977 -0.580 1
1 470 . 18 1 1 A 41 41 ALA C C 41 177.989 175.878 2.111 1
1 471 . 18 1 1 A 41 41 ALA CA C 41 51.533 51.059 0.474 1
1 472 . 18 1 1 A 41 41 ALA CB C 41 17.990 20.539 -2.549 1
1 473 . 18 1 1 A 41 41 ALA N N 41 123.786 126.917 -3.131 1
1 474 . 18 1 1 A 42 42 THR H H 42 8.358 8.986 -0.628 1
1 475 . 18 1 1 A 42 42 THR HA H 42 5.612 4.750 0.862 1
1 480 . 18 1 1 A 42 42 THR C C 42 175.505 173.107 2.398 1
1 481 . 18 1 1 A 42 42 THR CA C 42 58.816 60.616 -1.800 1
1 482 . 18 1 1 A 42 42 THR CB C 42 71.944 68.176 3.768 1
1 484 . 18 1 1 A 42 42 THR N N 42 108.609 119.583 -10.974 1
1 485 . 18 1 1 A 43 43 TRP H H 43 8.625 9.010 -0.385 1
1 486 . 18 1 1 A 43 43 TRP HA H 43 5.338 5.059 0.279 1
1 494 . 18 1 1 A 43 43 TRP C C 43 177.892 174.911 2.981 1
1 495 . 18 1 1 A 43 43 TRP CA C 43 54.345 55.532 -1.187 1
1 496 . 18 1 1 A 43 43 TRP CB C 43 31.571 29.922 1.649 1
1 501 . 18 1 1 A 43 43 TRP N N 43 117.778 131.793 -14.015 1
1 503 . 18 1 1 A 44 44 SER H H 44 8.451 8.972 -0.521 1
1 504 . 18 1 1 A 44 44 SER HA H 44 4.498 5.141 -0.643 1
1 507 . 18 1 1 A 44 44 SER C C 44 175.850 174.110 1.740 1
1 508 . 18 1 1 A 44 44 SER CA C 44 57.363 57.375 -0.012 1
1 509 . 18 1 1 A 44 44 SER CB C 44 62.550 63.792 -1.242 1
1 510 . 18 1 1 A 44 44 SER N N 44 117.818 121.532 -3.714 1
1 511 . 18 1 1 A 45 45 GLY H H 45 7.513 8.479 -0.966 1
1 512 . 18 1 1 A 45 45 GLY HA2 H 45 4.344 4.271 0.073 1
1 513 . 18 1 1 A 45 45 GLY HA3 H 45 3.775 4.396 -0.621 1
1 514 . 18 1 1 A 45 45 GLY C C 45 172.858 172.778 0.080 1
1 515 . 18 1 1 A 45 45 GLY CA C 45 44.312 46.249 -1.937 1
1 516 . 18 1 1 A 45 45 GLY N N 45 111.146 111.193 -0.047 1
1 517 . 18 1 1 A 46 46 ARG H H 46 8.534 8.241 0.293 1
1 518 . 18 1 1 A 46 46 ARG HA H 46 4.632 4.264 0.368 1
1 525 . 18 1 1 A 46 46 ARG C C 46 177.983 175.935 2.048 1
1 526 . 18 1 1 A 46 46 ARG CA C 46 53.530 55.154 -1.624 1
1 527 . 18 1 1 A 46 46 ARG CB C 46 31.064 30.744 0.320 1
1 530 . 18 1 1 A 46 46 ARG N N 46 120.921 124.563 -3.642 1
1 531 . 18 1 1 A 47 47 GLY H H 47 8.864 8.644 0.220 1
1 532 . 18 1 1 A 47 47 GLY HA2 H 47 3.919 3.734 0.185 1
1 533 . 18 1 1 A 47 47 GLY HA3 H 47 4.336 3.766 0.570 1
1 534 . 18 1 1 A 47 47 GLY C C 47 177.440 173.559 3.881 1
1 535 . 18 1 1 A 47 47 GLY CA C 47 44.060 46.465 -2.405 1
1 536 . 18 1 1 A 47 47 GLY N N 47 111.872 112.537 -0.665 1
1 537 . 18 1 1 A 48 48 LYS H H 48 7.752 7.669 0.083 1
1 538 . 18 1 1 A 48 48 LYS HA H 48 4.274 4.347 -0.073 1
1 547 . 18 1 1 A 48 48 LYS C C 48 178.053 175.130 2.923 1
1 548 . 18 1 1 A 48 48 LYS CA C 48 55.302 55.369 -0.067 1
1 549 . 18 1 1 A 48 48 LYS CB C 48 32.162 32.372 -0.210 1
1 550 . 18 1 1 A 48 48 LYS N N 48 125.971 121.371 4.600 1
1 551 . 18 1 1 A 49 49 ILE H H 49 8.236 8.869 -0.633 1
1 552 . 18 1 1 A 49 49 ILE HA H 49 2.797 4.623 -1.826 1
1 562 . 18 1 1 A 49 49 ILE CA C 49 58.222 58.022 0.200 1
1 563 . 18 1 1 A 49 49 ILE CB C 49 37.578 38.584 -1.006 1
1 567 . 18 1 1 A 49 49 ILE N N 49 126.182 126.570 -0.388 1
1 568 . 18 1 1 A 50 50 PRO HA H 50 4.344 4.593 -0.249 1
1 571 . 18 1 1 A 50 50 PRO C C 50 178.547 176.543 2.004 1
1 572 . 18 1 1 A 50 50 PRO CA C 50 60.998 62.909 -1.911 1
1 573 . 18 1 1 A 50 50 PRO CB C 50 32.796 30.079 2.717 1
1 575 . 18 1 1 A 51 51 LYS H H 51 9.065 8.132 0.933 1
1 576 . 18 1 1 A 51 51 LYS HA H 51 4.870 4.038 0.832 1
1 581 . 18 1 1 A 51 51 LYS CA C 51 59.788 60.674 -0.886 1
1 582 . 18 1 1 A 51 51 LYS CB C 51 28.838 30.236 -1.398 1
1 583 . 18 1 1 A 51 51 LYS N N 51 125.299 122.053 3.246 1
1 584 . 18 1 1 A 52 52 PRO HA H 52 4.391 4.400 -0.009 1
1 591 . 18 1 1 A 52 52 PRO C C 52 181.184 178.935 2.249 1
1 592 . 18 1 1 A 52 52 PRO CA C 52 64.975 65.655 -0.680 1
1 593 . 18 1 1 A 52 52 PRO CB C 52 30.072 31.441 -1.369 1
1 595 . 18 1 1 A 53 53 PHE H H 53 7.144 7.701 -0.557 1
1 596 . 18 1 1 A 53 53 PHE HA H 53 3.875 4.060 -0.185 1
1 601 . 18 1 1 A 53 53 PHE C C 53 177.838 177.683 0.155 1
1 602 . 18 1 1 A 53 53 PHE CA C 53 60.265 61.532 -1.267 1
1 603 . 18 1 1 A 53 53 PHE CB C 53 37.091 39.307 -2.216 1
1 606 . 18 1 1 A 53 53 PHE N N 53 116.868 118.649 -1.781 1
1 607 . 18 1 1 A 54 54 GLU H H 54 7.788 8.420 -0.632 1
1 608 . 18 1 1 A 54 54 GLU HA H 54 3.997 3.805 0.192 1
1 613 . 18 1 1 A 54 54 GLU C C 54 180.998 178.527 2.471 1
1 614 . 18 1 1 A 54 54 GLU CA C 54 58.691 59.470 -0.779 1
1 615 . 18 1 1 A 54 54 GLU CB C 54 29.328 29.215 0.113 1
1 617 . 18 1 1 A 54 54 GLU N N 54 120.523 119.182 1.341 1
1 618 . 18 1 1 A 55 55 ALA H H 55 8.379 7.722 0.657 1
1 619 . 18 1 1 A 55 55 ALA HA H 55 4.086 4.023 0.063 1
1 623 . 18 1 1 A 55 55 ALA C C 55 180.899 179.269 1.630 1
1 624 . 18 1 1 A 55 55 ALA CA C 55 53.119 55.096 -1.977 1
1 625 . 18 1 1 A 55 55 ALA CB C 55 17.854 18.216 -0.362 1
1 626 . 18 1 1 A 55 55 ALA N N 55 119.006 121.123 -2.117 1
1 627 . 18 1 1 A 56 56 TRP H H 56 7.575 7.724 -0.149 1
1 628 . 18 1 1 A 56 56 TRP HA H 56 4.616 4.285 0.331 1
1 634 . 18 1 1 A 56 56 TRP C C 56 179.334 177.981 1.353 1
1 635 . 18 1 1 A 56 56 TRP CA C 56 59.039 61.249 -2.210 1
1 636 . 18 1 1 A 56 56 TRP CB C 56 27.791 29.496 -1.705 1
1 639 . 18 1 1 A 56 56 TRP N N 56 119.770 120.108 -0.338 1
1 641 . 18 1 1 A 57 57 ILE H H 57 7.291 8.183 -0.892 1
1 642 . 18 1 1 A 57 57 ILE HA H 57 2.517 3.960 -1.443 1
1 651 . 18 1 1 A 57 57 ILE C C 57 177.768 177.458 0.310 1
1 652 . 18 1 1 A 57 57 ILE CA C 57 62.722 63.631 -0.909 1
1 653 . 18 1 1 A 57 57 ILE CB C 57 36.507 37.039 -0.532 1
1 657 . 18 1 1 A 57 57 ILE N N 57 117.374 118.376 -1.002 1
1 658 . 18 1 1 A 58 58 GLY H H 58 6.565 7.691 -1.126 1
1 659 . 18 1 1 A 58 58 GLY HA2 H 58 3.985 3.908 0.077 1
1 660 . 18 1 1 A 58 58 GLY HA3 H 58 4.069 3.997 0.072 1
1 661 . 18 1 1 A 58 58 GLY C C 58 178.787 175.572 3.215 1
1 662 . 18 1 1 A 58 58 GLY CA C 58 43.958 45.661 -1.703 1
1 663 . 18 1 1 A 58 58 GLY N N 58 110.422 110.028 0.394 1
1 664 . 18 1 1 A 59 59 THR H H 59 7.629 7.989 -0.360 1
1 665 . 18 1 1 A 59 59 THR HA H 59 4.554 3.850 0.704 1
1 670 . 18 1 1 A 59 59 THR CA C 59 60.466 65.246 -4.780 1
1 671 . 18 1 1 A 59 59 THR CB C 59 71.728 68.326 3.402 1
1 672 . 18 1 1 A 59 59 THR N N 59 111.600 117.487 -5.887 1
1 673 . 18 1 1 A 60 60 ALA H H 60 9.010 7.375 1.635 1
1 674 . 18 1 1 A 60 60 ALA HA H 60 4.917 4.497 0.420 1
1 678 . 18 1 1 A 60 60 ALA C C 60 182.933 178.546 4.387 1
1 679 . 18 1 1 A 60 60 ALA CA C 60 54.222 53.033 1.189 1
1 680 . 18 1 1 A 60 60 ALA CB C 60 18.122 20.839 -2.717 1
1 681 . 18 1 1 A 60 60 ALA N N 60 125.890 120.667 5.223 1
1 682 . 18 1 1 A 61 61 ALA H H 61 8.368 8.046 0.322 1
1 683 . 18 1 1 A 61 61 ALA HA H 61 4.256 4.171 0.085 1
1 687 . 18 1 1 A 61 61 ALA C C 61 182.536 179.224 3.312 1
1 688 . 18 1 1 A 61 61 ALA CA C 61 54.071 55.056 -0.985 1
1 689 . 18 1 1 A 61 61 ALA CB C 61 18.122 18.206 -0.084 1
1 690 . 18 1 1 A 61 61 ALA N N 61 121.272 120.648 0.624 1
1 691 . 18 1 1 A 62 62 TYR H H 62 7.310 8.378 -1.068 1
1 692 . 18 1 1 A 62 62 TYR HA H 62 3.381 4.095 -0.714 1
1 697 . 18 1 1 A 62 62 TYR C C 62 177.889 177.279 0.610 1
1 698 . 18 1 1 A 62 62 TYR CA C 62 60.203 61.754 -1.551 1
1 699 . 18 1 1 A 62 62 TYR CB C 62 36.771 38.713 -1.942 1
1 702 . 18 1 1 A 62 62 TYR N N 62 122.066 120.706 1.360 1
1 703 . 18 1 1 A 63 63 THR H H 63 8.303 8.366 -0.063 1
1 704 . 18 1 1 A 63 63 THR HA H 63 4.405 3.802 0.603 1
1 709 . 18 1 1 A 63 63 THR C C 63 178.200 177.303 0.897 1
1 710 . 18 1 1 A 63 63 THR CA C 63 65.547 65.574 -0.027 1
1 711 . 18 1 1 A 63 63 THR CB C 63 67.470 68.689 -1.219 1
1 712 . 18 1 1 A 63 63 THR N N 63 117.473 114.207 3.266 1
1 713 . 18 1 1 A 64 64 ALA H H 64 7.931 7.640 0.291 1
1 714 . 18 1 1 A 64 64 ALA HA H 64 4.220 4.055 0.165 1
1 718 . 18 1 1 A 64 64 ALA C C 64 181.966 179.646 2.320 1
1 719 . 18 1 1 A 64 64 ALA CA C 64 53.966 54.953 -0.987 1
1 720 . 18 1 1 A 64 64 ALA CB C 64 17.432 18.444 -1.012 1
1 721 . 18 1 1 A 64 64 ALA N N 64 123.649 123.004 0.645 1
1 722 . 18 1 1 A 65 65 TRP H H 65 8.049 8.600 -0.551 1
1 723 . 18 1 1 A 65 65 TRP HA H 65 4.294 4.109 0.185 1
1 729 . 18 1 1 A 65 65 TRP C C 65 181.255 178.700 2.555 1
1 730 . 18 1 1 A 65 65 TRP CA C 65 61.458 61.173 0.285 1
1 731 . 18 1 1 A 65 65 TRP CB C 65 27.748 29.651 -1.903 1
1 734 . 18 1 1 A 65 65 TRP N N 65 121.372 120.132 1.240 1
1 736 . 18 1 1 A 66 66 LYS H H 66 9.624 8.429 1.195 1
1 737 . 18 1 1 A 66 66 LYS HA H 66 4.352 4.080 0.272 1
1 745 . 18 1 1 A 66 66 LYS C C 66 180.615 178.964 1.651 1
1 746 . 18 1 1 A 66 66 LYS CA C 66 56.030 59.666 -3.636 1
1 747 . 18 1 1 A 66 66 LYS CB C 66 30.842 31.848 -1.006 1
1 751 . 18 1 1 A 66 66 LYS N N 66 123.631 118.673 4.958 1
1 752 . 18 1 1 A 67 67 ALA H H 67 8.822 8.120 0.702 1
1 753 . 18 1 1 A 67 67 ALA HA H 67 4.027 3.949 0.078 1
1 757 . 18 1 1 A 67 67 ALA C C 67 180.899 179.966 0.933 1
1 758 . 18 1 1 A 67 67 ALA CA C 67 53.759 54.710 -0.951 1
1 759 . 18 1 1 A 67 67 ALA CB C 67 17.534 18.174 -0.640 1
1 760 . 18 1 1 A 67 67 ALA N N 67 120.803 121.929 -1.126 1
1 761 . 18 1 1 A 68 68 LYS H H 68 6.888 7.189 -0.301 1
1 762 . 18 1 1 A 68 68 LYS HA H 68 4.233 4.174 0.059 1
1 771 . 18 1 1 A 68 68 LYS C C 68 175.989 176.688 -0.699 1
1 772 . 18 1 1 A 68 68 LYS CA C 68 54.355 57.487 -3.132 1
1 773 . 18 1 1 A 68 68 LYS CB C 68 33.056 32.746 0.310 1
1 777 . 18 1 1 A 68 68 LYS N N 68 113.741 114.688 -0.947 1
1 778 . 18 1 1 A 69 69 HIS H H 69 7.111 7.784 -0.673 1
1 779 . 18 1 1 A 69 69 HIS HA H 69 4.768 4.930 -0.162 1
1 784 . 18 1 1 A 69 69 HIS CA C 69 52.654 53.707 -1.053 1
1 785 . 18 1 1 A 69 69 HIS CB C 69 27.381 32.669 -5.288 1
1 788 . 18 1 1 A 69 69 HIS N N 69 120.596 115.205 5.391 1
1 789 . 18 1 1 A 70 70 PRO HA H 70 4.230 4.333 -0.103 1
1 796 . 18 1 1 A 70 70 PRO C C 70 179.651 176.752 2.899 1
1 797 . 18 1 1 A 70 70 PRO CA C 70 64.184 66.064 -1.880 1
1 798 . 18 1 1 A 70 70 PRO CB C 70 30.854 31.619 -0.765 1
1 800 . 18 1 1 A 71 71 ASP H H 71 8.619 8.089 0.530 1
1 801 . 18 1 1 A 71 71 ASP HA H 71 4.917 4.966 -0.049 1
1 804 . 18 1 1 A 71 71 ASP C C 71 177.057 176.249 0.808 1
1 805 . 18 1 1 A 71 71 ASP CA C 71 52.975 52.670 0.305 1
1 806 . 18 1 1 A 71 71 ASP CB C 71 40.475 40.812 -0.337 1
1 807 . 18 1 1 A 71 71 ASP N N 71 116.294 116.451 -0.157 1
1 808 . 18 1 1 A 72 72 GLU H H 72 7.389 8.864 -1.475 1
1 809 . 18 1 1 A 72 72 GLU HA H 72 4.920 4.476 0.444 1
1 814 . 18 1 1 A 72 72 GLU C C 72 176.986 176.889 0.097 1
1 815 . 18 1 1 A 72 72 GLU CA C 72 54.236 58.599 -4.363 1
1 816 . 18 1 1 A 72 72 GLU CB C 72 33.622 31.026 2.596 1
1 818 . 18 1 1 A 72 72 GLU N N 72 120.136 126.224 -6.088 1
1 819 . 18 1 1 A 73 73 LYS H H 73 9.155 7.754 1.401 1
1 820 . 18 1 1 A 73 73 LYS HA H 73 4.245 4.224 0.021 1
1 829 . 18 1 1 A 73 73 LYS C C 73 176.680 176.488 0.192 1
1 830 . 18 1 1 A 73 73 LYS CA C 73 57.999 55.762 2.237 1
1 831 . 18 1 1 A 73 73 LYS CB C 73 33.418 32.751 0.667 1
1 835 . 18 1 1 A 73 73 LYS N N 73 121.554 119.861 1.693 1
1 836 . 18 1 1 A 74 74 PHE H H 74 7.171 8.497 -1.326 1
1 837 . 18 1 1 A 74 74 PHE HA H 74 4.600 4.563 0.037 1
1 843 . 18 1 1 A 74 74 PHE CA C 74 55.159 57.374 -2.215 1
1 844 . 18 1 1 A 74 74 PHE CB C 74 40.451 40.356 0.095 1
1 848 . 18 1 1 A 74 74 PHE N N 74 111.944 126.839 -14.895 1
1 849 . 18 1 1 A 75 75 PRO HA H 75 4.640 4.154 0.486 1
1 856 . 18 1 1 A 75 75 PRO C C 75 176.914 174.848 2.066 1
1 857 . 18 1 1 A 75 75 PRO CA C 75 62.713 61.971 0.742 1
1 858 . 18 1 1 A 75 75 PRO CB C 75 30.073 28.888 1.185 1
1 860 . 18 1 1 A 76 76 ALA H H 76 9.039 8.403 0.636 1
1 861 . 18 1 1 A 76 76 ALA HA H 76 4.870 5.171 -0.301 1
1 865 . 18 1 1 A 76 76 ALA C C 76 179.974 177.021 2.953 1
1 866 . 18 1 1 A 76 76 ALA CA C 76 50.923 50.613 0.310 1
1 867 . 18 1 1 A 76 76 ALA CB C 76 18.130 20.846 -2.716 1
1 868 . 18 1 1 A 76 76 ALA N N 76 128.387 125.330 3.057 1
1 869 . 18 1 1 A 77 77 PHE H H 77 8.117 8.977 -0.860 1
1 870 . 18 1 1 A 77 77 PHE HA H 77 4.915 5.072 -0.157 1
1 875 . 18 1 1 A 77 77 PHE CA C 77 53.371 55.479 -2.108 1
1 876 . 18 1 1 A 77 77 PHE CB C 77 36.523 40.056 -3.533 1
1 878 . 18 1 1 A 77 77 PHE N N 77 125.115 120.894 4.221 1
1 879 . 18 1 1 A 78 78 PRO HA H 78 4.245 4.777 -0.532 1
1 886 . 18 1 1 A 78 78 PRO C C 78 176.487 176.016 0.471 1
1 887 . 18 1 1 A 78 78 PRO CA C 78 62.480 62.390 0.090 1
1 888 . 18 1 1 A 78 78 PRO CB C 78 30.324 31.647 -1.323 1
1 13 . 19 1 1 A 2 2 ASN H H 2 9.438 9.165 0.273 1
1 14 . 19 1 1 A 2 2 ASN HA H 2 5.912 4.585 1.327 1
1 19 . 19 1 1 A 2 2 ASN C C 2 175.436 176.035 -0.599 1
1 20 . 19 1 1 A 2 2 ASN CA C 2 54.299 56.550 -2.251 1
1 21 . 19 1 1 A 2 2 ASN CB C 2 38.092 38.455 -0.363 1
1 22 . 19 1 1 A 2 2 ASN N N 2 121.344 119.740 1.604 1
1 24 . 19 1 1 A 3 3 VAL H H 3 8.328 7.489 0.839 1
1 25 . 19 1 1 A 3 3 VAL HA H 3 4.161 4.418 -0.257 1
1 30 . 19 1 1 A 3 3 VAL C C 3 178.200 175.021 3.179 1
1 31 . 19 1 1 A 3 3 VAL CA C 3 61.577 62.798 -1.221 1
1 32 . 19 1 1 A 3 3 VAL CB C 3 32.162 31.792 0.370 1
1 34 . 19 1 1 A 3 3 VAL N N 3 122.195 119.073 3.122 1
1 35 . 19 1 1 A 4 4 LYS H H 4 8.474 8.753 -0.279 1
1 36 . 19 1 1 A 4 4 LYS HA H 4 4.283 4.895 -0.612 1
1 44 . 19 1 1 A 4 4 LYS C C 4 177.509 176.176 1.333 1
1 45 . 19 1 1 A 4 4 LYS CA C 4 55.197 54.755 0.442 1
1 46 . 19 1 1 A 4 4 LYS CB C 4 30.194 35.551 -5.357 1
1 47 . 19 1 1 A 4 4 LYS N N 4 122.239 129.243 -7.004 1
1 48 . 19 1 1 A 5 5 GLN H H 5 8.507 8.616 -0.109 1
1 49 . 19 1 1 A 5 5 GLN HA H 5 4.383 4.402 -0.019 1
1 56 . 19 1 1 A 5 5 GLN C C 5 177.440 176.481 0.959 1
1 57 . 19 1 1 A 5 5 GLN CA C 5 55.081 56.046 -0.965 1
1 58 . 19 1 1 A 5 5 GLN CB C 5 29.505 29.710 -0.205 1
1 60 . 19 1 1 A 5 5 GLN N N 5 123.847 123.834 0.013 1
1 62 . 19 1 1 A 6 6 LYS H H 6 8.407 8.623 -0.216 1
1 63 . 19 1 1 A 6 6 LYS HA H 6 4.392 4.421 -0.029 1
1 72 . 19 1 1 A 6 6 LYS C C 6 178.373 176.209 2.164 1
1 73 . 19 1 1 A 6 6 LYS CA C 6 61.491 57.089 4.402 1
1 74 . 19 1 1 A 6 6 LYS CB C 6 31.993 32.857 -0.864 1
1 78 . 19 1 1 A 6 6 LYS N N 6 123.099 121.945 1.154 1
1 79 . 19 1 1 A 7 7 SER H H 7 8.516 9.012 -0.496 1
1 80 . 19 1 1 A 7 7 SER HA H 7 4.483 5.089 -0.606 1
1 83 . 19 1 1 A 7 7 SER C C 7 175.401 173.520 1.881 1
1 84 . 19 1 1 A 7 7 SER CA C 7 57.370 57.918 -0.548 1
1 85 . 19 1 1 A 7 7 SER CB C 7 62.979 64.605 -1.626 1
1 86 . 19 1 1 A 7 7 SER N N 7 117.184 122.320 -5.136 1
1 87 . 19 1 1 A 8 8 GLU H H 8 8.548 9.113 -0.565 1
1 88 . 19 1 1 A 8 8 GLU HA H 8 4.397 5.054 -0.657 1
1 93 . 19 1 1 A 8 8 GLU C C 8 177.785 175.308 2.477 1
1 94 . 19 1 1 A 8 8 GLU CA C 8 55.856 55.408 0.448 1
1 95 . 19 1 1 A 8 8 GLU CB C 8 29.726 30.283 -0.557 1
1 97 . 19 1 1 A 8 8 GLU N N 8 123.697 124.914 -1.217 1
1 98 . 19 1 1 A 9 9 ILE H H 9 8.279 8.835 -0.556 1
1 99 . 19 1 1 A 9 9 ILE HA H 9 4.276 4.666 -0.390 1
1 109 . 19 1 1 A 9 9 ILE C C 9 177.958 175.938 2.020 1
1 110 . 19 1 1 A 9 9 ILE CA C 9 60.538 60.008 0.530 1
1 111 . 19 1 1 A 9 9 ILE CB C 9 37.725 40.580 -2.855 1
1 115 . 19 1 1 A 9 9 ILE N N 9 122.616 125.025 -2.409 1
1 116 . 19 1 1 A 10 10 THR H H 10 8.255 8.717 -0.462 1
1 117 . 19 1 1 A 10 10 THR HA H 10 4.592 4.414 0.178 1
1 122 . 19 1 1 A 10 10 THR C C 10 174.993 174.325 0.668 1
1 123 . 19 1 1 A 10 10 THR CA C 10 61.010 62.558 -1.548 1
1 124 . 19 1 1 A 10 10 THR CB C 10 68.505 69.507 -1.002 1
1 126 . 19 1 1 A 10 10 THR N N 10 119.401 121.583 -2.182 1
1 127 . 19 1 1 A 11 11 ALA H H 11 8.308 8.284 0.024 1
1 128 . 19 1 1 A 11 11 ALA HA H 11 4.400 4.570 -0.170 1
1 132 . 19 1 1 A 11 11 ALA C C 11 178.822 177.002 1.820 1
1 133 . 19 1 1 A 11 11 ALA CA C 11 51.438 52.776 -1.338 1
1 134 . 19 1 1 A 11 11 ALA CB C 11 18.303 19.127 -0.824 1
1 135 . 19 1 1 A 11 11 ALA N N 11 127.285 126.993 0.292 1
1 136 . 19 1 1 A 12 12 LEU H H 12 8.228 8.827 -0.599 1
1 137 . 19 1 1 A 12 12 LEU HA H 12 4.457 5.189 -0.732 1
1 147 . 19 1 1 A 12 12 LEU C C 12 178.787 175.593 3.194 1
1 148 . 19 1 1 A 12 12 LEU CA C 12 54.261 53.378 0.883 1
1 149 . 19 1 1 A 12 12 LEU CB C 12 41.457 46.283 -4.826 1
1 152 . 19 1 1 A 12 12 LEU N N 12 122.431 123.886 -1.455 1
1 153 . 19 1 1 A 13 13 VAL H H 13 8.171 8.473 -0.302 1
1 154 . 19 1 1 A 13 13 VAL HA H 13 4.164 4.046 0.118 1
1 159 . 19 1 1 A 13 13 VAL C C 13 177.412 175.531 1.881 1
1 160 . 19 1 1 A 13 13 VAL CA C 13 61.489 62.459 -0.970 1
1 161 . 19 1 1 A 13 13 VAL CB C 13 31.791 32.524 -0.733 1
1 163 . 19 1 1 A 13 13 VAL N N 13 122.619 122.171 0.448 1
1 164 . 19 1 1 A 14 14 LYS H H 14 8.459 8.313 0.146 1
1 165 . 19 1 1 A 14 14 LYS HA H 14 4.375 4.416 -0.041 1
1 174 . 19 1 1 A 14 14 LYS C C 14 177.509 176.737 0.772 1
1 175 . 19 1 1 A 14 14 LYS CA C 14 55.532 56.072 -0.540 1
1 176 . 19 1 1 A 14 14 LYS CB C 14 32.114 33.251 -1.137 1
1 180 . 19 1 1 A 14 14 LYS N N 14 125.566 125.060 0.506 1
1 181 . 19 1 1 A 15 15 GLU H H 15 8.434 8.709 -0.275 1
1 182 . 19 1 1 A 15 15 GLU HA H 15 4.380 4.679 -0.299 1
1 187 . 19 1 1 A 15 15 GLU C C 15 177.440 175.633 1.807 1
1 188 . 19 1 1 A 15 15 GLU CA C 15 55.302 56.314 -1.012 1
1 189 . 19 1 1 A 15 15 GLU CB C 15 29.616 30.239 -0.623 1
1 190 . 19 1 1 A 15 15 GLU N N 15 123.950 123.942 0.008 1
1 191 . 19 1 1 A 16 16 VAL H H 16 8.326 8.478 -0.152 1
1 192 . 19 1 1 A 16 16 VAL HA H 16 4.205 4.705 -0.500 1
1 197 . 19 1 1 A 16 16 VAL CA C 16 61.613 60.699 0.914 1
1 198 . 19 1 1 A 16 16 VAL CB C 16 32.231 35.418 -3.187 1
1 199 . 19 1 1 A 16 16 VAL N N 16 123.175 124.048 -0.873 1
1 200 . 19 1 1 A 17 17 THR H H 17 8.171 8.757 -0.586 1
1 201 . 19 1 1 A 17 17 THR HA H 17 4.470 4.220 0.250 1
1 206 . 19 1 1 A 17 17 THR CA C 17 57.893 67.363 -9.470 1
1 207 . 19 1 1 A 17 17 THR CB C 17 70.047 67.667 2.380 1
1 208 . 19 1 1 A 17 17 THR N N 17 119.533 120.534 -1.001 1
1 209 . 19 1 1 A 19 19 PRO HA H 19 4.355 4.776 -0.421 1
1 212 . 19 1 1 A 19 19 PRO C C 19 177.057 175.342 1.715 1
1 213 . 19 1 1 A 19 19 PRO CA C 19 61.531 62.470 -0.939 1
1 214 . 19 1 1 A 19 19 PRO CB C 19 31.869 29.445 2.424 1
1 215 . 19 1 1 A 20 20 ARG H H 20 8.435 8.652 -0.217 1
1 216 . 19 1 1 A 20 20 ARG HA H 20 4.391 4.775 -0.384 1
1 223 . 19 1 1 A 20 20 ARG C C 20 177.509 173.701 3.808 1
1 224 . 19 1 1 A 20 20 ARG CA C 20 55.300 55.515 -0.215 1
1 225 . 19 1 1 A 20 20 ARG CB C 20 32.492 33.133 -0.641 1
1 228 . 19 1 1 A 20 20 ARG N N 20 126.489 123.869 2.620 1
1 229 . 19 1 1 A 21 21 LYS H H 21 8.426 8.877 -0.451 1
1 230 . 19 1 1 A 21 21 LYS HA H 21 4.397 4.900 -0.503 1
1 239 . 19 1 1 A 21 21 LYS C C 21 177.412 175.201 2.211 1
1 240 . 19 1 1 A 21 21 LYS CA C 21 55.296 54.901 0.395 1
1 241 . 19 1 1 A 21 21 LYS CB C 21 29.837 33.984 -4.147 1
1 244 . 19 1 1 A 21 21 LYS N N 21 123.626 126.902 -3.276 1
1 245 . 19 1 1 A 22 22 ALA H H 22 8.378 8.883 -0.505 1
1 246 . 19 1 1 A 22 22 ALA HA H 22 4.628 4.611 0.017 1
1 250 . 19 1 1 A 22 22 ALA CA C 22 49.376 50.350 -0.974 1
1 251 . 19 1 1 A 22 22 ALA CB C 22 17.501 19.742 -2.241 1
1 252 . 19 1 1 A 22 22 ALA N N 22 127.197 128.730 -1.533 1
1 253 . 19 1 1 A 23 23 PRO HA H 23 4.219 4.814 -0.595 1
1 257 . 19 1 1 A 23 23 PRO C C 23 177.440 175.497 1.943 1
1 258 . 19 1 1 A 23 23 PRO CA C 23 61.724 62.210 -0.486 1
1 259 . 19 1 1 A 23 23 PRO CB C 23 32.162 29.369 2.793 1
1 260 . 19 1 1 A 24 24 SER H H 24 8.425 8.356 0.069 1
1 261 . 19 1 1 A 24 24 SER HA H 24 4.344 4.640 -0.296 1
1 264 . 19 1 1 A 24 24 SER C C 24 175.610 174.481 1.129 1
1 265 . 19 1 1 A 24 24 SER CA C 24 58.845 57.667 1.178 1
1 266 . 19 1 1 A 24 24 SER CB C 24 68.920 64.124 4.796 1
1 267 . 19 1 1 A 24 24 SER N N 24 122.433 117.880 4.553 1
1 268 . 19 1 1 A 25 25 LYS H H 25 8.323 8.561 -0.238 1
1 269 . 19 1 1 A 25 25 LYS HA H 25 4.137 4.522 -0.385 1
1 276 . 19 1 1 A 25 25 LYS C C 25 177.462 175.187 2.275 1
1 277 . 19 1 1 A 25 25 LYS CA C 25 55.504 55.821 -0.317 1
1 278 . 19 1 1 A 25 25 LYS CB C 25 32.155 31.983 0.172 1
1 281 . 19 1 1 A 25 25 LYS N N 25 121.718 124.981 -3.263 1
1 282 . 19 1 1 A 26 26 ALA H H 26 8.333 8.375 -0.042 1
1 283 . 19 1 1 A 26 26 ALA HA H 26 4.334 5.637 -1.303 1
1 287 . 19 1 1 A 26 26 ALA CA C 26 51.512 50.349 1.163 1
1 288 . 19 1 1 A 26 26 ALA CB C 26 18.486 21.040 -2.554 1
1 289 . 19 1 1 A 26 26 ALA N N 26 125.817 128.422 -2.605 1
1 290 . 19 1 1 A 27 27 LYS H H 27 8.347 8.573 -0.226 1
1 291 . 19 1 1 A 27 27 LYS HA H 27 4.354 5.037 -0.683 1
1 300 . 19 1 1 A 27 27 LYS C C 27 177.923 175.414 2.509 1
1 301 . 19 1 1 A 27 27 LYS CA C 27 55.413 54.546 0.867 1
1 302 . 19 1 1 A 27 27 LYS CB C 27 32.162 34.976 -2.814 1
1 306 . 19 1 1 A 27 27 LYS N N 27 121.810 123.251 -1.441 1
1 307 . 19 1 1 A 28 28 ARG H H 28 8.440 8.534 -0.094 1
1 308 . 19 1 1 A 28 28 ARG HA H 28 4.672 5.073 -0.401 1
1 315 . 19 1 1 A 28 28 ARG C C 28 177.474 175.649 1.825 1
1 316 . 19 1 1 A 28 28 ARG CA C 28 55.140 54.935 0.205 1
1 317 . 19 1 1 A 28 28 ARG CB C 28 28.508 31.383 -2.875 1
1 318 . 19 1 1 A 28 28 ARG N N 28 122.679 124.138 -1.459 1
1 319 . 19 1 1 A 29 29 GLU H H 29 8.470 8.432 0.038 1
1 320 . 19 1 1 A 29 29 GLU HA H 29 4.391 5.211 -0.820 1
1 325 . 19 1 1 A 29 29 GLU C C 29 177.057 174.811 2.246 1
1 326 . 19 1 1 A 29 29 GLU CA C 29 55.634 54.689 0.945 1
1 327 . 19 1 1 A 29 29 GLU CB C 29 32.461 33.792 -1.331 1
1 329 . 19 1 1 A 29 29 GLU N N 29 124.395 123.070 1.325 1
1 330 . 19 1 1 A 30 30 ALA H H 30 8.485 8.607 -0.122 1
1 331 . 19 1 1 A 30 30 ALA HA H 30 4.652 4.817 -0.165 1
1 335 . 19 1 1 A 30 30 ALA CA C 30 49.523 48.828 0.695 1
1 336 . 19 1 1 A 30 30 ALA CB C 30 17.328 20.545 -3.217 1
1 337 . 19 1 1 A 30 30 ALA N N 30 128.118 126.359 1.759 1
1 338 . 19 1 1 A 31 31 PRO HA H 31 4.440 4.452 -0.012 1
1 345 . 19 1 1 A 31 31 PRO C C 31 177.612 176.317 1.295 1
1 346 . 19 1 1 A 31 31 PRO CA C 31 61.605 65.325 -3.720 1
1 347 . 19 1 1 A 31 31 PRO CB C 31 31.616 32.167 -0.551 1
1 348 . 19 1 1 A 32 32 ILE H H 32 8.202 7.774 0.428 1
1 349 . 19 1 1 A 32 32 ILE HA H 32 3.503 4.780 -1.277 1
1 359 . 19 1 1 A 32 32 ILE C C 32 176.061 176.116 -0.055 1
1 360 . 19 1 1 A 32 32 ILE CA C 32 60.929 58.721 2.208 1
1 361 . 19 1 1 A 32 32 ILE CB C 32 37.219 41.329 -4.110 1
1 365 . 19 1 1 A 32 32 ILE N N 32 121.270 114.720 6.550 1
1 366 . 19 1 1 A 33 33 LYS H H 33 7.434 9.232 -1.798 1
1 367 . 19 1 1 A 33 33 LYS HA H 33 4.370 4.459 -0.089 1
1 376 . 19 1 1 A 33 33 LYS C C 33 176.960 177.463 -0.503 1
1 377 . 19 1 1 A 33 33 LYS CA C 33 56.553 59.147 -2.594 1
1 378 . 19 1 1 A 33 33 LYS CB C 33 35.043 32.461 2.582 1
1 382 . 19 1 1 A 33 33 LYS N N 33 126.133 124.079 2.054 1
1 383 . 19 1 1 A 34 34 TYR H H 34 7.974 8.504 -0.530 1
1 384 . 19 1 1 A 34 34 TYR HA H 34 4.551 4.192 0.359 1
1 389 . 19 1 1 A 34 34 TYR CA C 34 57.337 61.425 -4.088 1
1 390 . 19 1 1 A 34 34 TYR CB C 34 38.051 38.518 -0.467 1
1 393 . 19 1 1 A 34 34 TYR N N 34 121.936 120.737 1.199 1
1 394 . 19 1 1 A 35 35 TRP H H 35 7.912 8.069 -0.157 1
1 395 . 19 1 1 A 35 35 TRP HA H 35 4.687 4.375 0.312 1
1 403 . 19 1 1 A 35 35 TRP C C 35 171.862 175.800 -3.938 1
1 404 . 19 1 1 A 35 35 TRP CA C 35 56.720 60.419 -3.699 1
1 405 . 19 1 1 A 35 35 TRP CB C 35 28.638 30.748 -2.110 1
1 410 . 19 1 1 A 35 35 TRP N N 35 122.844 121.864 0.980 1
1 412 . 19 1 1 A 36 36 LEU H H 36 7.598 8.009 -0.411 1
1 413 . 19 1 1 A 36 36 LEU HA H 36 4.028 4.645 -0.617 1
1 423 . 19 1 1 A 36 36 LEU CA C 36 47.586 51.153 -3.567 1
1 424 . 19 1 1 A 36 36 LEU CB C 36 39.448 44.218 -4.770 1
1 428 . 19 1 1 A 36 36 LEU N N 36 117.117 117.964 -0.847 1
1 429 . 19 1 1 A 37 37 PRO HA H 37 4.340 4.541 -0.201 1
1 436 . 19 1 1 A 37 37 PRO C C 37 175.850 176.385 -0.535 1
1 437 . 19 1 1 A 37 37 PRO CA C 37 62.513 64.428 -1.915 1
1 438 . 19 1 1 A 37 37 PRO CB C 37 31.510 31.886 -0.376 1
1 439 . 19 1 1 A 38 38 HIS H H 38 7.704 7.779 -0.075 1
1 440 . 19 1 1 A 38 38 HIS HA H 38 4.366 4.989 -0.623 1
1 445 . 19 1 1 A 38 38 HIS C C 38 176.772 173.324 3.448 1
1 446 . 19 1 1 A 38 38 HIS CA C 38 56.604 53.964 2.640 1
1 447 . 19 1 1 A 38 38 HIS CB C 38 28.736 31.284 -2.548 1
1 450 . 19 1 1 A 38 38 HIS N N 38 111.845 116.090 -4.245 1
1 451 . 19 1 1 A 39 39 SER H H 39 6.451 8.857 -2.406 1
1 452 . 19 1 1 A 39 39 SER HA H 39 4.620 4.690 -0.070 1
1 455 . 19 1 1 A 39 39 SER C C 39 176.576 174.463 2.113 1
1 456 . 19 1 1 A 39 39 SER CA C 39 56.604 59.166 -2.562 1
1 457 . 19 1 1 A 39 39 SER CB C 39 65.579 63.538 2.041 1
1 458 . 19 1 1 A 39 39 SER N N 39 113.386 120.150 -6.764 1
1 459 . 19 1 1 A 40 40 GLY H H 40 8.420 8.651 -0.231 1
1 460 . 19 1 1 A 40 40 GLY HA2 H 40 4.346 4.296 0.050 1
1 461 . 19 1 1 A 40 40 GLY HA3 H 40 3.741 4.313 -0.572 1
1 462 . 19 1 1 A 40 40 GLY C C 40 176.997 173.293 3.704 1
1 463 . 19 1 1 A 40 40 GLY CA C 40 44.153 45.699 -1.546 1
1 464 . 19 1 1 A 40 40 GLY N N 40 113.160 111.910 1.250 1
1 465 . 19 1 1 A 41 41 ALA H H 41 7.187 8.732 -1.545 1
1 466 . 19 1 1 A 41 41 ALA HA H 41 4.397 5.038 -0.641 1
1 470 . 19 1 1 A 41 41 ALA C C 41 177.989 175.671 2.318 1
1 471 . 19 1 1 A 41 41 ALA CA C 41 51.533 50.867 0.666 1
1 472 . 19 1 1 A 41 41 ALA CB C 41 17.990 21.366 -3.376 1
1 473 . 19 1 1 A 41 41 ALA N N 41 123.786 125.278 -1.492 1
1 474 . 19 1 1 A 42 42 THR H H 42 8.358 8.969 -0.611 1
1 475 . 19 1 1 A 42 42 THR HA H 42 5.612 4.818 0.794 1
1 480 . 19 1 1 A 42 42 THR C C 42 175.505 173.211 2.294 1
1 481 . 19 1 1 A 42 42 THR CA C 42 58.816 61.327 -2.511 1
1 482 . 19 1 1 A 42 42 THR CB C 42 71.944 69.306 2.638 1
1 484 . 19 1 1 A 42 42 THR N N 42 108.609 119.083 -10.474 1
1 485 . 19 1 1 A 43 43 TRP H H 43 8.625 8.660 -0.035 1
1 486 . 19 1 1 A 43 43 TRP HA H 43 5.338 5.439 -0.101 1
1 494 . 19 1 1 A 43 43 TRP C C 43 177.892 174.737 3.155 1
1 495 . 19 1 1 A 43 43 TRP CA C 43 54.345 55.058 -0.713 1
1 496 . 19 1 1 A 43 43 TRP CB C 43 31.571 31.260 0.311 1
1 501 . 19 1 1 A 43 43 TRP N N 43 117.778 132.459 -14.681 1
1 503 . 19 1 1 A 44 44 SER H H 44 8.451 9.052 -0.601 1
1 504 . 19 1 1 A 44 44 SER HA H 44 4.498 4.923 -0.425 1
1 507 . 19 1 1 A 44 44 SER C C 44 175.850 174.033 1.817 1
1 508 . 19 1 1 A 44 44 SER CA C 44 57.363 57.008 0.355 1
1 509 . 19 1 1 A 44 44 SER CB C 44 62.550 63.600 -1.050 1
1 510 . 19 1 1 A 44 44 SER N N 44 117.818 124.091 -6.273 1
1 511 . 19 1 1 A 45 45 GLY H H 45 7.513 8.265 -0.752 1
1 512 . 19 1 1 A 45 45 GLY HA2 H 45 4.344 4.230 0.114 1
1 513 . 19 1 1 A 45 45 GLY HA3 H 45 3.775 4.320 -0.545 1
1 514 . 19 1 1 A 45 45 GLY C C 45 172.858 173.578 -0.720 1
1 515 . 19 1 1 A 45 45 GLY CA C 45 44.312 46.128 -1.816 1
1 516 . 19 1 1 A 45 45 GLY N N 45 111.146 113.578 -2.432 1
1 517 . 19 1 1 A 46 46 ARG H H 46 8.534 8.050 0.484 1
1 518 . 19 1 1 A 46 46 ARG HA H 46 4.632 4.203 0.429 1
1 525 . 19 1 1 A 46 46 ARG C C 46 177.983 175.894 2.089 1
1 526 . 19 1 1 A 46 46 ARG CA C 46 53.530 55.489 -1.959 1
1 527 . 19 1 1 A 46 46 ARG CB C 46 31.064 30.429 0.635 1
1 530 . 19 1 1 A 46 46 ARG N N 46 120.921 123.851 -2.930 1
1 531 . 19 1 1 A 47 47 GLY H H 47 8.864 8.729 0.135 1
1 532 . 19 1 1 A 47 47 GLY HA2 H 47 3.919 3.750 0.169 1
1 533 . 19 1 1 A 47 47 GLY HA3 H 47 4.336 3.771 0.565 1
1 534 . 19 1 1 A 47 47 GLY C C 47 177.440 173.573 3.867 1
1 535 . 19 1 1 A 47 47 GLY CA C 47 44.060 46.459 -2.399 1
1 536 . 19 1 1 A 47 47 GLY N N 47 111.872 112.578 -0.706 1
1 537 . 19 1 1 A 48 48 LYS H H 48 7.752 7.657 0.095 1
1 538 . 19 1 1 A 48 48 LYS HA H 48 4.274 4.389 -0.115 1
1 547 . 19 1 1 A 48 48 LYS C C 48 178.053 175.490 2.563 1
1 548 . 19 1 1 A 48 48 LYS CA C 48 55.302 55.494 -0.192 1
1 549 . 19 1 1 A 48 48 LYS CB C 48 32.162 32.435 -0.273 1
1 550 . 19 1 1 A 48 48 LYS N N 48 125.971 121.096 4.875 1
1 551 . 19 1 1 A 49 49 ILE H H 49 8.236 8.793 -0.557 1
1 552 . 19 1 1 A 49 49 ILE HA H 49 2.797 4.563 -1.766 1
1 562 . 19 1 1 A 49 49 ILE CA C 49 58.222 57.749 0.473 1
1 563 . 19 1 1 A 49 49 ILE CB C 49 37.578 39.516 -1.938 1
1 567 . 19 1 1 A 49 49 ILE N N 49 126.182 126.489 -0.307 1
1 568 . 19 1 1 A 50 50 PRO HA H 50 4.344 4.627 -0.283 1
1 571 . 19 1 1 A 50 50 PRO C C 50 178.547 176.465 2.082 1
1 572 . 19 1 1 A 50 50 PRO CA C 50 60.998 62.908 -1.910 1
1 573 . 19 1 1 A 50 50 PRO CB C 50 32.796 30.024 2.772 1
1 575 . 19 1 1 A 51 51 LYS H H 51 9.065 8.352 0.713 1
1 576 . 19 1 1 A 51 51 LYS HA H 51 4.870 4.033 0.837 1
1 581 . 19 1 1 A 51 51 LYS CA C 51 59.788 60.305 -0.517 1
1 582 . 19 1 1 A 51 51 LYS CB C 51 28.838 31.082 -2.244 1
1 583 . 19 1 1 A 51 51 LYS N N 51 125.299 122.582 2.717 1
1 584 . 19 1 1 A 52 52 PRO HA H 52 4.391 4.431 -0.040 1
1 591 . 19 1 1 A 52 52 PRO C C 52 181.184 178.191 2.993 1
1 592 . 19 1 1 A 52 52 PRO CA C 52 64.975 65.285 -0.310 1
1 593 . 19 1 1 A 52 52 PRO CB C 52 30.072 31.116 -1.044 1
1 595 . 19 1 1 A 53 53 PHE H H 53 7.144 7.776 -0.632 1
1 596 . 19 1 1 A 53 53 PHE HA H 53 3.875 4.077 -0.202 1
1 601 . 19 1 1 A 53 53 PHE C C 53 177.838 177.790 0.048 1
1 602 . 19 1 1 A 53 53 PHE CA C 53 60.265 61.566 -1.301 1
1 603 . 19 1 1 A 53 53 PHE CB C 53 37.091 39.465 -2.374 1
1 606 . 19 1 1 A 53 53 PHE N N 53 116.868 119.019 -2.151 1
1 607 . 19 1 1 A 54 54 GLU H H 54 7.788 8.488 -0.700 1
1 608 . 19 1 1 A 54 54 GLU HA H 54 3.997 3.888 0.109 1
1 613 . 19 1 1 A 54 54 GLU C C 54 180.998 178.568 2.430 1
1 614 . 19 1 1 A 54 54 GLU CA C 54 58.691 59.308 -0.617 1
1 615 . 19 1 1 A 54 54 GLU CB C 54 29.328 29.521 -0.193 1
1 617 . 19 1 1 A 54 54 GLU N N 54 120.523 119.243 1.280 1
1 618 . 19 1 1 A 55 55 ALA H H 55 8.379 7.680 0.699 1
1 619 . 19 1 1 A 55 55 ALA HA H 55 4.086 4.129 -0.043 1
1 623 . 19 1 1 A 55 55 ALA C C 55 180.899 179.195 1.704 1
1 624 . 19 1 1 A 55 55 ALA CA C 55 53.119 55.099 -1.980 1
1 625 . 19 1 1 A 55 55 ALA CB C 55 17.854 18.149 -0.295 1
1 626 . 19 1 1 A 55 55 ALA N N 55 119.006 121.313 -2.307 1
1 627 . 19 1 1 A 56 56 TRP H H 56 7.575 7.764 -0.189 1
1 628 . 19 1 1 A 56 56 TRP HA H 56 4.616 4.273 0.343 1
1 634 . 19 1 1 A 56 56 TRP C C 56 179.334 178.051 1.283 1
1 635 . 19 1 1 A 56 56 TRP CA C 56 59.039 61.447 -2.408 1
1 636 . 19 1 1 A 56 56 TRP CB C 56 27.791 29.719 -1.928 1
1 639 . 19 1 1 A 56 56 TRP N N 56 119.770 120.174 -0.404 1
1 641 . 19 1 1 A 57 57 ILE H H 57 7.291 8.233 -0.942 1
1 642 . 19 1 1 A 57 57 ILE HA H 57 2.517 3.887 -1.370 1
1 651 . 19 1 1 A 57 57 ILE C C 57 177.768 177.787 -0.019 1
1 652 . 19 1 1 A 57 57 ILE CA C 57 62.722 63.997 -1.275 1
1 653 . 19 1 1 A 57 57 ILE CB C 57 36.507 36.830 -0.323 1
1 657 . 19 1 1 A 57 57 ILE N N 57 117.374 118.481 -1.107 1
1 658 . 19 1 1 A 58 58 GLY H H 58 6.565 7.752 -1.187 1
1 659 . 19 1 1 A 58 58 GLY HA2 H 58 3.985 3.780 0.205 1
1 660 . 19 1 1 A 58 58 GLY HA3 H 58 4.069 3.887 0.182 1
1 661 . 19 1 1 A 58 58 GLY C C 58 178.787 175.635 3.152 1
1 662 . 19 1 1 A 58 58 GLY CA C 58 43.958 46.543 -2.585 1
1 663 . 19 1 1 A 58 58 GLY N N 58 110.422 109.750 0.672 1
1 664 . 19 1 1 A 59 59 THR H H 59 7.629 8.268 -0.639 1
1 665 . 19 1 1 A 59 59 THR HA H 59 4.554 3.872 0.682 1
1 670 . 19 1 1 A 59 59 THR CA C 59 60.466 65.492 -5.026 1
1 671 . 19 1 1 A 59 59 THR CB C 59 71.728 68.321 3.407 1
1 672 . 19 1 1 A 59 59 THR N N 59 111.600 117.253 -5.653 1
1 673 . 19 1 1 A 60 60 ALA H H 60 9.010 7.545 1.465 1
1 674 . 19 1 1 A 60 60 ALA HA H 60 4.917 4.582 0.335 1
1 678 . 19 1 1 A 60 60 ALA C C 60 182.933 178.715 4.218 1
1 679 . 19 1 1 A 60 60 ALA CA C 60 54.222 53.116 1.106 1
1 680 . 19 1 1 A 60 60 ALA CB C 60 18.122 20.981 -2.859 1
1 681 . 19 1 1 A 60 60 ALA N N 60 125.890 120.381 5.509 1
1 682 . 19 1 1 A 61 61 ALA H H 61 8.368 8.146 0.222 1
1 683 . 19 1 1 A 61 61 ALA HA H 61 4.256 4.204 0.052 1
1 687 . 19 1 1 A 61 61 ALA C C 61 182.536 179.353 3.183 1
1 688 . 19 1 1 A 61 61 ALA CA C 61 54.071 54.955 -0.884 1
1 689 . 19 1 1 A 61 61 ALA CB C 61 18.122 18.285 -0.163 1
1 690 . 19 1 1 A 61 61 ALA N N 61 121.272 120.788 0.484 1
1 691 . 19 1 1 A 62 62 TYR H H 62 7.310 8.193 -0.883 1
1 692 . 19 1 1 A 62 62 TYR HA H 62 3.381 4.115 -0.734 1
1 697 . 19 1 1 A 62 62 TYR C C 62 177.889 177.380 0.509 1
1 698 . 19 1 1 A 62 62 TYR CA C 62 60.203 61.864 -1.661 1
1 699 . 19 1 1 A 62 62 TYR CB C 62 36.771 38.555 -1.784 1
1 702 . 19 1 1 A 62 62 TYR N N 62 122.066 120.785 1.281 1
1 703 . 19 1 1 A 63 63 THR H H 63 8.303 8.375 -0.072 1
1 704 . 19 1 1 A 63 63 THR HA H 63 4.405 3.741 0.664 1
1 709 . 19 1 1 A 63 63 THR C C 63 178.200 177.349 0.851 1
1 710 . 19 1 1 A 63 63 THR CA C 63 65.547 65.582 -0.035 1
1 711 . 19 1 1 A 63 63 THR CB C 63 67.470 68.849 -1.379 1
1 712 . 19 1 1 A 63 63 THR N N 63 117.473 114.029 3.444 1
1 713 . 19 1 1 A 64 64 ALA H H 64 7.931 7.542 0.389 1
1 714 . 19 1 1 A 64 64 ALA HA H 64 4.220 4.046 0.174 1
1 718 . 19 1 1 A 64 64 ALA C C 64 181.966 179.493 2.473 1
1 719 . 19 1 1 A 64 64 ALA CA C 64 53.966 54.990 -1.024 1
1 720 . 19 1 1 A 64 64 ALA CB C 64 17.432 18.439 -1.007 1
1 721 . 19 1 1 A 64 64 ALA N N 64 123.649 122.998 0.651 1
1 722 . 19 1 1 A 65 65 TRP H H 65 8.049 8.501 -0.452 1
1 723 . 19 1 1 A 65 65 TRP HA H 65 4.294 4.122 0.172 1
1 729 . 19 1 1 A 65 65 TRP C C 65 181.255 178.712 2.543 1
1 730 . 19 1 1 A 65 65 TRP CA C 65 61.458 60.794 0.664 1
1 731 . 19 1 1 A 65 65 TRP CB C 65 27.748 29.491 -1.743 1
1 734 . 19 1 1 A 65 65 TRP N N 65 121.372 119.929 1.443 1
1 736 . 19 1 1 A 66 66 LYS H H 66 9.624 8.629 0.995 1
1 737 . 19 1 1 A 66 66 LYS HA H 66 4.352 4.094 0.258 1
1 745 . 19 1 1 A 66 66 LYS C C 66 180.615 179.237 1.378 1
1 746 . 19 1 1 A 66 66 LYS CA C 66 56.030 59.422 -3.392 1
1 747 . 19 1 1 A 66 66 LYS CB C 66 30.842 31.786 -0.944 1
1 751 . 19 1 1 A 66 66 LYS N N 66 123.631 118.579 5.052 1
1 752 . 19 1 1 A 67 67 ALA H H 67 8.822 8.213 0.609 1
1 753 . 19 1 1 A 67 67 ALA HA H 67 4.027 4.027 0.000 1
1 757 . 19 1 1 A 67 67 ALA C C 67 180.899 180.020 0.879 1
1 758 . 19 1 1 A 67 67 ALA CA C 67 53.759 54.922 -1.163 1
1 759 . 19 1 1 A 67 67 ALA CB C 67 17.534 18.182 -0.648 1
1 760 . 19 1 1 A 67 67 ALA N N 67 120.803 122.029 -1.226 1
1 761 . 19 1 1 A 68 68 LYS H H 68 6.888 7.254 -0.366 1
1 762 . 19 1 1 A 68 68 LYS HA H 68 4.233 4.177 0.056 1
1 771 . 19 1 1 A 68 68 LYS C C 68 175.989 176.553 -0.564 1
1 772 . 19 1 1 A 68 68 LYS CA C 68 54.355 57.278 -2.923 1
1 773 . 19 1 1 A 68 68 LYS CB C 68 33.056 33.001 0.055 1
1 777 . 19 1 1 A 68 68 LYS N N 68 113.741 114.855 -1.114 1
1 778 . 19 1 1 A 69 69 HIS H H 69 7.111 7.760 -0.649 1
1 779 . 19 1 1 A 69 69 HIS HA H 69 4.768 4.876 -0.108 1
1 784 . 19 1 1 A 69 69 HIS CA C 69 52.654 53.710 -1.056 1
1 785 . 19 1 1 A 69 69 HIS CB C 69 27.381 32.518 -5.137 1
1 788 . 19 1 1 A 69 69 HIS N N 69 120.596 115.107 5.489 1
1 789 . 19 1 1 A 70 70 PRO HA H 70 4.230 4.309 -0.079 1
1 796 . 19 1 1 A 70 70 PRO C C 70 179.651 177.279 2.372 1
1 797 . 19 1 1 A 70 70 PRO CA C 70 64.184 66.246 -2.062 1
1 798 . 19 1 1 A 70 70 PRO CB C 70 30.854 31.428 -0.574 1
1 800 . 19 1 1 A 71 71 ASP H H 71 8.619 8.187 0.432 1
1 801 . 19 1 1 A 71 71 ASP HA H 71 4.917 5.089 -0.172 1
1 804 . 19 1 1 A 71 71 ASP C C 71 177.057 176.627 0.430 1
1 805 . 19 1 1 A 71 71 ASP CA C 71 52.975 52.620 0.355 1
1 806 . 19 1 1 A 71 71 ASP CB C 71 40.475 41.638 -1.163 1
1 807 . 19 1 1 A 71 71 ASP N N 71 116.294 116.576 -0.282 1
1 808 . 19 1 1 A 72 72 GLU H H 72 7.389 8.272 -0.883 1
1 809 . 19 1 1 A 72 72 GLU HA H 72 4.920 4.229 0.691 1
1 814 . 19 1 1 A 72 72 GLU C C 72 176.986 177.109 -0.123 1
1 815 . 19 1 1 A 72 72 GLU CA C 72 54.236 59.170 -4.934 1
1 816 . 19 1 1 A 72 72 GLU CB C 72 33.622 30.384 3.238 1
1 818 . 19 1 1 A 72 72 GLU N N 72 120.136 123.919 -3.783 1
1 819 . 19 1 1 A 73 73 LYS H H 73 9.155 7.784 1.371 1
1 820 . 19 1 1 A 73 73 LYS HA H 73 4.245 4.275 -0.030 1
1 829 . 19 1 1 A 73 73 LYS C C 73 176.680 176.636 0.044 1
1 830 . 19 1 1 A 73 73 LYS CA C 73 57.999 55.759 2.240 1
1 831 . 19 1 1 A 73 73 LYS CB C 73 33.418 32.785 0.633 1
1 835 . 19 1 1 A 73 73 LYS N N 73 121.554 120.062 1.492 1
1 836 . 19 1 1 A 74 74 PHE H H 74 7.171 8.649 -1.478 1
1 837 . 19 1 1 A 74 74 PHE HA H 74 4.600 4.554 0.046 1
1 843 . 19 1 1 A 74 74 PHE CA C 74 55.159 57.408 -2.249 1
1 844 . 19 1 1 A 74 74 PHE CB C 74 40.451 40.282 0.169 1
1 848 . 19 1 1 A 74 74 PHE N N 74 111.944 127.303 -15.359 1
1 849 . 19 1 1 A 75 75 PRO HA H 75 4.640 4.238 0.402 1
1 856 . 19 1 1 A 75 75 PRO C C 75 176.914 174.722 2.192 1
1 857 . 19 1 1 A 75 75 PRO CA C 75 62.713 62.041 0.672 1
1 858 . 19 1 1 A 75 75 PRO CB C 75 30.073 28.813 1.260 1
1 860 . 19 1 1 A 76 76 ALA H H 76 9.039 8.674 0.365 1
1 861 . 19 1 1 A 76 76 ALA HA H 76 4.870 5.027 -0.157 1
1 865 . 19 1 1 A 76 76 ALA C C 76 179.974 177.179 2.795 1
1 866 . 19 1 1 A 76 76 ALA CA C 76 50.923 50.636 0.287 1
1 867 . 19 1 1 A 76 76 ALA CB C 76 18.130 20.601 -2.471 1
1 868 . 19 1 1 A 76 76 ALA N N 76 128.387 125.072 3.315 1
1 869 . 19 1 1 A 77 77 PHE H H 77 8.117 8.909 -0.792 1
1 870 . 19 1 1 A 77 77 PHE HA H 77 4.915 5.092 -0.177 1
1 875 . 19 1 1 A 77 77 PHE CA C 77 53.371 55.321 -1.950 1
1 876 . 19 1 1 A 77 77 PHE CB C 77 36.523 40.384 -3.861 1
1 878 . 19 1 1 A 77 77 PHE N N 77 125.115 120.393 4.722 1
1 879 . 19 1 1 A 78 78 PRO HA H 78 4.245 4.767 -0.522 1
1 886 . 19 1 1 A 78 78 PRO C C 78 176.487 175.925 0.562 1
1 887 . 19 1 1 A 78 78 PRO CA C 78 62.480 62.171 0.309 1
1 888 . 19 1 1 A 78 78 PRO CB C 78 30.324 31.560 -1.236 1
1 13 . 20 1 1 A 2 2 ASN H H 2 9.438 9.065 0.373 1
1 14 . 20 1 1 A 2 2 ASN HA H 2 5.912 4.700 1.212 1
1 19 . 20 1 1 A 2 2 ASN C C 2 175.436 176.034 -0.598 1
1 20 . 20 1 1 A 2 2 ASN CA C 2 54.299 56.255 -1.956 1
1 21 . 20 1 1 A 2 2 ASN CB C 2 38.092 39.046 -0.954 1
1 22 . 20 1 1 A 2 2 ASN N N 2 121.344 119.791 1.553 1
1 24 . 20 1 1 A 3 3 VAL H H 3 8.328 7.877 0.451 1
1 25 . 20 1 1 A 3 3 VAL HA H 3 4.161 4.960 -0.799 1
1 30 . 20 1 1 A 3 3 VAL C C 3 178.200 175.313 2.887 1
1 31 . 20 1 1 A 3 3 VAL CA C 3 61.577 60.831 0.746 1
1 32 . 20 1 1 A 3 3 VAL CB C 3 32.162 32.917 -0.755 1
1 34 . 20 1 1 A 3 3 VAL N N 3 122.195 118.610 3.585 1
1 35 . 20 1 1 A 4 4 LYS H H 4 8.474 8.487 -0.013 1
1 36 . 20 1 1 A 4 4 LYS HA H 4 4.283 4.725 -0.442 1
1 44 . 20 1 1 A 4 4 LYS C C 4 177.509 175.154 2.355 1
1 45 . 20 1 1 A 4 4 LYS CA C 4 55.197 55.304 -0.107 1
1 46 . 20 1 1 A 4 4 LYS CB C 4 30.194 35.895 -5.701 1
1 47 . 20 1 1 A 4 4 LYS N N 4 122.239 129.656 -7.417 1
1 48 . 20 1 1 A 5 5 GLN H H 5 8.507 8.609 -0.102 1
1 49 . 20 1 1 A 5 5 GLN HA H 5 4.383 4.387 -0.004 1
1 56 . 20 1 1 A 5 5 GLN C C 5 177.440 176.154 1.286 1
1 57 . 20 1 1 A 5 5 GLN CA C 5 55.081 56.125 -1.044 1
1 58 . 20 1 1 A 5 5 GLN CB C 5 29.505 29.539 -0.034 1
1 60 . 20 1 1 A 5 5 GLN N N 5 123.847 126.339 -2.492 1
1 62 . 20 1 1 A 6 6 LYS H H 6 8.407 8.724 -0.317 1
1 63 . 20 1 1 A 6 6 LYS HA H 6 4.392 4.609 -0.217 1
1 72 . 20 1 1 A 6 6 LYS C C 6 178.373 176.075 2.298 1
1 73 . 20 1 1 A 6 6 LYS CA C 6 61.491 56.081 5.410 1
1 74 . 20 1 1 A 6 6 LYS CB C 6 31.993 34.273 -2.280 1
1 78 . 20 1 1 A 6 6 LYS N N 6 123.099 121.411 1.688 1
1 79 . 20 1 1 A 7 7 SER H H 7 8.516 8.617 -0.101 1
1 80 . 20 1 1 A 7 7 SER HA H 7 4.483 5.092 -0.609 1
1 83 . 20 1 1 A 7 7 SER C C 7 175.401 173.050 2.351 1
1 84 . 20 1 1 A 7 7 SER CA C 7 57.370 57.639 -0.269 1
1 85 . 20 1 1 A 7 7 SER CB C 7 62.979 65.460 -2.481 1
1 86 . 20 1 1 A 7 7 SER N N 7 117.184 116.219 0.965 1
1 87 . 20 1 1 A 8 8 GLU H H 8 8.548 9.159 -0.611 1
1 88 . 20 1 1 A 8 8 GLU HA H 8 4.397 5.285 -0.888 1
1 93 . 20 1 1 A 8 8 GLU C C 8 177.785 175.525 2.260 1
1 94 . 20 1 1 A 8 8 GLU CA C 8 55.856 55.394 0.462 1
1 95 . 20 1 1 A 8 8 GLU CB C 8 29.726 30.889 -1.163 1
1 97 . 20 1 1 A 8 8 GLU N N 8 123.697 125.338 -1.641 1
1 98 . 20 1 1 A 9 9 ILE H H 9 8.279 9.146 -0.867 1
1 99 . 20 1 1 A 9 9 ILE HA H 9 4.276 4.632 -0.356 1
1 109 . 20 1 1 A 9 9 ILE C C 9 177.958 175.776 2.182 1
1 110 . 20 1 1 A 9 9 ILE CA C 9 60.538 59.998 0.540 1
1 111 . 20 1 1 A 9 9 ILE CB C 9 37.725 40.364 -2.639 1
1 115 . 20 1 1 A 9 9 ILE N N 9 122.616 125.462 -2.846 1
1 116 . 20 1 1 A 10 10 THR H H 10 8.255 8.676 -0.421 1
1 117 . 20 1 1 A 10 10 THR HA H 10 4.592 4.463 0.129 1
1 122 . 20 1 1 A 10 10 THR C C 10 174.993 173.951 1.042 1
1 123 . 20 1 1 A 10 10 THR CA C 10 61.010 62.103 -1.093 1
1 124 . 20 1 1 A 10 10 THR CB C 10 68.505 69.468 -0.963 1
1 126 . 20 1 1 A 10 10 THR N N 10 119.401 121.851 -2.450 1
1 127 . 20 1 1 A 11 11 ALA H H 11 8.308 8.302 0.006 1
1 128 . 20 1 1 A 11 11 ALA HA H 11 4.400 4.566 -0.166 1
1 132 . 20 1 1 A 11 11 ALA C C 11 178.822 176.578 2.244 1
1 133 . 20 1 1 A 11 11 ALA CA C 11 51.438 52.525 -1.087 1
1 134 . 20 1 1 A 11 11 ALA CB C 11 18.303 18.878 -0.575 1
1 135 . 20 1 1 A 11 11 ALA N N 11 127.285 127.404 -0.119 1
1 136 . 20 1 1 A 12 12 LEU H H 12 8.228 8.874 -0.646 1
1 137 . 20 1 1 A 12 12 LEU HA H 12 4.457 4.997 -0.540 1
1 147 . 20 1 1 A 12 12 LEU C C 12 178.787 176.392 2.395 1
1 148 . 20 1 1 A 12 12 LEU CA C 12 54.261 53.525 0.736 1
1 149 . 20 1 1 A 12 12 LEU CB C 12 41.457 44.648 -3.191 1
1 152 . 20 1 1 A 12 12 LEU N N 12 122.431 126.051 -3.620 1
1 153 . 20 1 1 A 13 13 VAL H H 13 8.171 8.516 -0.345 1
1 154 . 20 1 1 A 13 13 VAL HA H 13 4.164 4.163 0.001 1
1 159 . 20 1 1 A 13 13 VAL C C 13 177.412 175.811 1.601 1
1 160 . 20 1 1 A 13 13 VAL CA C 13 61.489 62.081 -0.592 1
1 161 . 20 1 1 A 13 13 VAL CB C 13 31.791 32.637 -0.846 1
1 163 . 20 1 1 A 13 13 VAL N N 13 122.619 122.790 -0.171 1
1 164 . 20 1 1 A 14 14 LYS H H 14 8.459 7.743 0.716 1
1 165 . 20 1 1 A 14 14 LYS HA H 14 4.375 4.170 0.205 1
1 174 . 20 1 1 A 14 14 LYS C C 14 177.509 176.489 1.020 1
1 175 . 20 1 1 A 14 14 LYS CA C 14 55.532 56.912 -1.380 1
1 176 . 20 1 1 A 14 14 LYS CB C 14 32.114 33.726 -1.612 1
1 180 . 20 1 1 A 14 14 LYS N N 14 125.566 124.824 0.742 1
1 181 . 20 1 1 A 15 15 GLU H H 15 8.434 8.787 -0.353 1
1 182 . 20 1 1 A 15 15 GLU HA H 15 4.380 4.664 -0.284 1
1 187 . 20 1 1 A 15 15 GLU C C 15 177.440 176.261 1.179 1
1 188 . 20 1 1 A 15 15 GLU CA C 15 55.302 56.168 -0.866 1
1 189 . 20 1 1 A 15 15 GLU CB C 15 29.616 30.184 -0.568 1
1 190 . 20 1 1 A 15 15 GLU N N 15 123.950 124.908 -0.958 1
1 191 . 20 1 1 A 16 16 VAL H H 16 8.326 8.719 -0.393 1
1 192 . 20 1 1 A 16 16 VAL HA H 16 4.205 4.554 -0.349 1
1 197 . 20 1 1 A 16 16 VAL CA C 16 61.613 60.692 0.921 1
1 198 . 20 1 1 A 16 16 VAL CB C 16 32.231 35.694 -3.463 1
1 199 . 20 1 1 A 16 16 VAL N N 16 123.175 123.882 -0.707 1
1 200 . 20 1 1 A 17 17 THR H H 17 8.171 9.170 -0.999 1
1 201 . 20 1 1 A 17 17 THR HA H 17 4.470 4.091 0.379 1
1 206 . 20 1 1 A 17 17 THR CA C 17 57.893 67.448 -9.555 1
1 207 . 20 1 1 A 17 17 THR CB C 17 70.047 67.329 2.718 1
1 208 . 20 1 1 A 17 17 THR N N 17 119.533 119.639 -0.106 1
1 209 . 20 1 1 A 19 19 PRO HA H 19 4.355 4.770 -0.415 1
1 212 . 20 1 1 A 19 19 PRO C C 19 177.057 176.009 1.048 1
1 213 . 20 1 1 A 19 19 PRO CA C 19 61.531 62.396 -0.865 1
1 214 . 20 1 1 A 19 19 PRO CB C 19 31.869 29.285 2.584 1
1 215 . 20 1 1 A 20 20 ARG H H 20 8.435 8.585 -0.150 1
1 216 . 20 1 1 A 20 20 ARG HA H 20 4.391 4.809 -0.418 1
1 223 . 20 1 1 A 20 20 ARG C C 20 177.509 174.670 2.839 1
1 224 . 20 1 1 A 20 20 ARG CA C 20 55.300 54.753 0.547 1
1 225 . 20 1 1 A 20 20 ARG CB C 20 32.492 34.535 -2.043 1
1 228 . 20 1 1 A 20 20 ARG N N 20 126.489 122.987 3.502 1
1 229 . 20 1 1 A 21 21 LYS H H 21 8.426 8.745 -0.319 1
1 230 . 20 1 1 A 21 21 LYS HA H 21 4.397 5.169 -0.772 1
1 239 . 20 1 1 A 21 21 LYS C C 21 177.412 175.235 2.177 1
1 240 . 20 1 1 A 21 21 LYS CA C 21 55.296 54.634 0.662 1
1 241 . 20 1 1 A 21 21 LYS CB C 21 29.837 35.573 -5.736 1
1 244 . 20 1 1 A 21 21 LYS N N 21 123.626 122.914 0.712 1
1 245 . 20 1 1 A 22 22 ALA H H 22 8.378 8.771 -0.393 1
1 246 . 20 1 1 A 22 22 ALA HA H 22 4.628 4.827 -0.199 1
1 250 . 20 1 1 A 22 22 ALA CA C 22 49.376 49.802 -0.426 1
1 251 . 20 1 1 A 22 22 ALA CB C 22 17.501 20.604 -3.103 1
1 252 . 20 1 1 A 22 22 ALA N N 22 127.197 127.485 -0.288 1
1 253 . 20 1 1 A 23 23 PRO HA H 23 4.219 4.711 -0.492 1
1 257 . 20 1 1 A 23 23 PRO C C 23 177.440 175.646 1.794 1
1 258 . 20 1 1 A 23 23 PRO CA C 23 61.724 62.340 -0.616 1
1 259 . 20 1 1 A 23 23 PRO CB C 23 32.162 28.898 3.264 1
1 260 . 20 1 1 A 24 24 SER H H 24 8.425 8.297 0.128 1
1 261 . 20 1 1 A 24 24 SER HA H 24 4.344 4.828 -0.484 1
1 264 . 20 1 1 A 24 24 SER C C 24 175.610 174.121 1.489 1
1 265 . 20 1 1 A 24 24 SER CA C 24 58.845 56.985 1.860 1
1 266 . 20 1 1 A 24 24 SER CB C 24 68.920 64.588 4.332 1
1 267 . 20 1 1 A 24 24 SER N N 24 122.433 115.331 7.102 1
1 268 . 20 1 1 A 25 25 LYS H H 25 8.323 8.640 -0.317 1
1 269 . 20 1 1 A 25 25 LYS HA H 25 4.137 4.590 -0.453 1
1 276 . 20 1 1 A 25 25 LYS C C 25 177.462 175.152 2.310 1
1 277 . 20 1 1 A 25 25 LYS CA C 25 55.504 55.500 0.004 1
1 278 . 20 1 1 A 25 25 LYS CB C 25 32.155 31.976 0.179 1
1 281 . 20 1 1 A 25 25 LYS N N 25 121.718 125.303 -3.585 1
1 282 . 20 1 1 A 26 26 ALA H H 26 8.333 8.257 0.076 1
1 283 . 20 1 1 A 26 26 ALA HA H 26 4.334 5.004 -0.670 1
1 287 . 20 1 1 A 26 26 ALA CA C 26 51.512 51.611 -0.099 1
1 288 . 20 1 1 A 26 26 ALA CB C 26 18.486 20.061 -1.575 1
1 289 . 20 1 1 A 26 26 ALA N N 26 125.817 128.289 -2.472 1
1 290 . 20 1 1 A 27 27 LYS H H 27 8.347 9.172 -0.825 1
1 291 . 20 1 1 A 27 27 LYS HA H 27 4.354 4.828 -0.474 1
1 300 . 20 1 1 A 27 27 LYS C C 27 177.923 175.527 2.396 1
1 301 . 20 1 1 A 27 27 LYS CA C 27 55.413 54.866 0.547 1
1 302 . 20 1 1 A 27 27 LYS CB C 27 32.162 33.679 -1.517 1
1 306 . 20 1 1 A 27 27 LYS N N 27 121.810 124.244 -2.434 1
1 307 . 20 1 1 A 28 28 ARG H H 28 8.440 8.574 -0.134 1
1 308 . 20 1 1 A 28 28 ARG HA H 28 4.672 5.169 -0.497 1
1 315 . 20 1 1 A 28 28 ARG C C 28 177.474 175.372 2.102 1
1 316 . 20 1 1 A 28 28 ARG CA C 28 55.140 54.952 0.188 1
1 317 . 20 1 1 A 28 28 ARG CB C 28 28.508 31.171 -2.663 1
1 318 . 20 1 1 A 28 28 ARG N N 28 122.679 124.311 -1.632 1
1 319 . 20 1 1 A 29 29 GLU H H 29 8.470 8.629 -0.159 1
1 320 . 20 1 1 A 29 29 GLU HA H 29 4.391 5.179 -0.788 1
1 325 . 20 1 1 A 29 29 GLU C C 29 177.057 175.450 1.607 1
1 326 . 20 1 1 A 29 29 GLU CA C 29 55.634 54.586 1.048 1
1 327 . 20 1 1 A 29 29 GLU CB C 29 32.461 33.809 -1.348 1
1 329 . 20 1 1 A 29 29 GLU N N 29 124.395 123.075 1.320 1
1 330 . 20 1 1 A 30 30 ALA H H 30 8.485 8.345 0.140 1
1 331 . 20 1 1 A 30 30 ALA HA H 30 4.652 4.628 0.024 1
1 335 . 20 1 1 A 30 30 ALA CA C 30 49.523 50.172 -0.649 1
1 336 . 20 1 1 A 30 30 ALA CB C 30 17.328 19.763 -2.435 1
1 337 . 20 1 1 A 30 30 ALA N N 30 128.118 126.910 1.208 1
1 338 . 20 1 1 A 31 31 PRO HA H 31 4.440 4.810 -0.370 1
1 345 . 20 1 1 A 31 31 PRO C C 31 177.612 176.297 1.315 1
1 346 . 20 1 1 A 31 31 PRO CA C 31 61.605 62.948 -1.343 1
1 347 . 20 1 1 A 31 31 PRO CB C 31 31.616 32.776 -1.160 1
1 348 . 20 1 1 A 32 32 ILE H H 32 8.202 8.185 0.017 1
1 349 . 20 1 1 A 32 32 ILE HA H 32 3.503 4.920 -1.417 1
1 359 . 20 1 1 A 32 32 ILE C C 32 176.061 176.621 -0.560 1
1 360 . 20 1 1 A 32 32 ILE CA C 32 60.929 58.844 2.085 1
1 361 . 20 1 1 A 32 32 ILE CB C 32 37.219 41.281 -4.062 1
1 365 . 20 1 1 A 32 32 ILE N N 32 121.270 115.951 5.319 1
1 366 . 20 1 1 A 33 33 LYS H H 33 7.434 8.891 -1.457 1
1 367 . 20 1 1 A 33 33 LYS HA H 33 4.370 4.287 0.083 1
1 376 . 20 1 1 A 33 33 LYS C C 33 176.960 177.334 -0.374 1
1 377 . 20 1 1 A 33 33 LYS CA C 33 56.553 59.224 -2.671 1
1 378 . 20 1 1 A 33 33 LYS CB C 33 35.043 32.110 2.933 1
1 382 . 20 1 1 A 33 33 LYS N N 33 126.133 124.383 1.750 1
1 383 . 20 1 1 A 34 34 TYR H H 34 7.974 8.517 -0.543 1
1 384 . 20 1 1 A 34 34 TYR HA H 34 4.551 4.244 0.307 1
1 389 . 20 1 1 A 34 34 TYR CA C 34 57.337 61.540 -4.203 1
1 390 . 20 1 1 A 34 34 TYR CB C 34 38.051 38.675 -0.624 1
1 393 . 20 1 1 A 34 34 TYR N N 34 121.936 120.372 1.564 1
1 394 . 20 1 1 A 35 35 TRP H H 35 7.912 8.066 -0.154 1
1 395 . 20 1 1 A 35 35 TRP HA H 35 4.687 4.564 0.123 1
1 403 . 20 1 1 A 35 35 TRP C C 35 171.862 175.723 -3.861 1
1 404 . 20 1 1 A 35 35 TRP CA C 35 56.720 59.687 -2.967 1
1 405 . 20 1 1 A 35 35 TRP CB C 35 28.638 31.159 -2.521 1
1 410 . 20 1 1 A 35 35 TRP N N 35 122.844 121.250 1.594 1
1 412 . 20 1 1 A 36 36 LEU H H 36 7.598 8.187 -0.589 1
1 413 . 20 1 1 A 36 36 LEU HA H 36 4.028 4.663 -0.635 1
1 423 . 20 1 1 A 36 36 LEU CA C 36 47.586 50.961 -3.375 1
1 424 . 20 1 1 A 36 36 LEU CB C 36 39.448 44.648 -5.200 1
1 428 . 20 1 1 A 36 36 LEU N N 36 117.117 117.826 -0.709 1
1 429 . 20 1 1 A 37 37 PRO HA H 37 4.340 4.528 -0.188 1
1 436 . 20 1 1 A 37 37 PRO C C 37 175.850 176.159 -0.309 1
1 437 . 20 1 1 A 37 37 PRO CA C 37 62.513 64.372 -1.859 1
1 438 . 20 1 1 A 37 37 PRO CB C 37 31.510 31.762 -0.252 1
1 439 . 20 1 1 A 38 38 HIS H H 38 7.704 7.730 -0.026 1
1 440 . 20 1 1 A 38 38 HIS HA H 38 4.366 5.002 -0.636 1
1 445 . 20 1 1 A 38 38 HIS C C 38 176.772 172.919 3.853 1
1 446 . 20 1 1 A 38 38 HIS CA C 38 56.604 54.316 2.288 1
1 447 . 20 1 1 A 38 38 HIS CB C 38 28.736 32.321 -3.585 1
1 450 . 20 1 1 A 38 38 HIS N N 38 111.845 116.293 -4.448 1
1 451 . 20 1 1 A 39 39 SER H H 39 6.451 9.028 -2.577 1
1 452 . 20 1 1 A 39 39 SER HA H 39 4.620 5.058 -0.438 1
1 455 . 20 1 1 A 39 39 SER C C 39 176.576 174.190 2.386 1
1 456 . 20 1 1 A 39 39 SER CA C 39 56.604 58.225 -1.621 1
1 457 . 20 1 1 A 39 39 SER CB C 39 65.579 64.179 1.400 1
1 458 . 20 1 1 A 39 39 SER N N 39 113.386 120.285 -6.899 1
1 459 . 20 1 1 A 40 40 GLY H H 40 8.420 8.602 -0.182 1
1 460 . 20 1 1 A 40 40 GLY HA2 H 40 4.346 4.210 0.136 1
1 461 . 20 1 1 A 40 40 GLY HA3 H 40 3.741 4.224 -0.483 1
1 462 . 20 1 1 A 40 40 GLY C C 40 176.997 172.862 4.135 1
1 463 . 20 1 1 A 40 40 GLY CA C 40 44.153 45.638 -1.485 1
1 464 . 20 1 1 A 40 40 GLY N N 40 113.160 111.046 2.114 1
1 465 . 20 1 1 A 41 41 ALA H H 41 7.187 9.240 -2.053 1
1 466 . 20 1 1 A 41 41 ALA HA H 41 4.397 5.182 -0.785 1
1 470 . 20 1 1 A 41 41 ALA C C 41 177.989 175.737 2.252 1
1 471 . 20 1 1 A 41 41 ALA CA C 41 51.533 50.919 0.614 1
1 472 . 20 1 1 A 41 41 ALA CB C 41 17.990 20.989 -2.999 1
1 473 . 20 1 1 A 41 41 ALA N N 41 123.786 127.070 -3.284 1
1 474 . 20 1 1 A 42 42 THR H H 42 8.358 8.986 -0.628 1
1 475 . 20 1 1 A 42 42 THR HA H 42 5.612 4.883 0.729 1
1 480 . 20 1 1 A 42 42 THR C C 42 175.505 173.229 2.276 1
1 481 . 20 1 1 A 42 42 THR CA C 42 58.816 60.720 -1.904 1
1 482 . 20 1 1 A 42 42 THR CB C 42 71.944 69.728 2.216 1
1 484 . 20 1 1 A 42 42 THR N N 42 108.609 119.181 -10.572 1
1 485 . 20 1 1 A 43 43 TRP H H 43 8.625 9.126 -0.501 1
1 486 . 20 1 1 A 43 43 TRP HA H 43 5.338 5.001 0.337 1
1 494 . 20 1 1 A 43 43 TRP C C 43 177.892 174.981 2.911 1
1 495 . 20 1 1 A 43 43 TRP CA C 43 54.345 55.511 -1.166 1
1 496 . 20 1 1 A 43 43 TRP CB C 43 31.571 30.209 1.362 1
1 501 . 20 1 1 A 43 43 TRP N N 43 117.778 132.401 -14.623 1
1 503 . 20 1 1 A 44 44 SER H H 44 8.451 8.868 -0.417 1
1 504 . 20 1 1 A 44 44 SER HA H 44 4.498 5.102 -0.604 1
1 507 . 20 1 1 A 44 44 SER C C 44 175.850 174.195 1.655 1
1 508 . 20 1 1 A 44 44 SER CA C 44 57.363 57.716 -0.353 1
1 509 . 20 1 1 A 44 44 SER CB C 44 62.550 63.501 -0.951 1
1 510 . 20 1 1 A 44 44 SER N N 44 117.818 121.775 -3.957 1
1 511 . 20 1 1 A 45 45 GLY H H 45 7.513 8.342 -0.829 1
1 512 . 20 1 1 A 45 45 GLY HA2 H 45 4.344 4.235 0.109 1
1 513 . 20 1 1 A 45 45 GLY HA3 H 45 3.775 4.344 -0.569 1
1 514 . 20 1 1 A 45 45 GLY C C 45 172.858 173.451 -0.593 1
1 515 . 20 1 1 A 45 45 GLY CA C 45 44.312 46.152 -1.840 1
1 516 . 20 1 1 A 45 45 GLY N N 45 111.146 111.546 -0.400 1
1 517 . 20 1 1 A 46 46 ARG H H 46 8.534 7.935 0.599 1
1 518 . 20 1 1 A 46 46 ARG HA H 46 4.632 4.519 0.113 1
1 525 . 20 1 1 A 46 46 ARG C C 46 177.983 175.662 2.321 1
1 526 . 20 1 1 A 46 46 ARG CA C 46 53.530 54.396 -0.866 1
1 527 . 20 1 1 A 46 46 ARG CB C 46 31.064 31.914 -0.850 1
1 530 . 20 1 1 A 46 46 ARG N N 46 120.921 122.841 -1.920 1
1 531 . 20 1 1 A 47 47 GLY H H 47 8.864 8.605 0.259 1
1 532 . 20 1 1 A 47 47 GLY HA2 H 47 3.919 3.724 0.195 1
1 533 . 20 1 1 A 47 47 GLY HA3 H 47 4.336 3.744 0.592 1
1 534 . 20 1 1 A 47 47 GLY C C 47 177.440 173.110 4.330 1
1 535 . 20 1 1 A 47 47 GLY CA C 47 44.060 47.124 -3.064 1
1 536 . 20 1 1 A 47 47 GLY N N 47 111.872 112.005 -0.133 1
1 537 . 20 1 1 A 48 48 LYS H H 48 7.752 8.525 -0.773 1
1 538 . 20 1 1 A 48 48 LYS HA H 48 4.274 4.454 -0.180 1
1 547 . 20 1 1 A 48 48 LYS C C 48 178.053 175.033 3.020 1
1 548 . 20 1 1 A 48 48 LYS CA C 48 55.302 56.287 -0.985 1
1 549 . 20 1 1 A 48 48 LYS CB C 48 32.162 32.376 -0.214 1
1 550 . 20 1 1 A 48 48 LYS N N 48 125.971 125.377 0.594 1
1 551 . 20 1 1 A 49 49 ILE H H 49 8.236 8.518 -0.282 1
1 552 . 20 1 1 A 49 49 ILE HA H 49 2.797 4.611 -1.814 1
1 562 . 20 1 1 A 49 49 ILE CA C 49 58.222 57.858 0.364 1
1 563 . 20 1 1 A 49 49 ILE CB C 49 37.578 40.424 -2.846 1
1 567 . 20 1 1 A 49 49 ILE N N 49 126.182 128.019 -1.837 1
1 568 . 20 1 1 A 50 50 PRO HA H 50 4.344 4.652 -0.308 1
1 571 . 20 1 1 A 50 50 PRO C C 50 178.547 176.655 1.892 1
1 572 . 20 1 1 A 50 50 PRO CA C 50 60.998 63.315 -2.317 1
1 573 . 20 1 1 A 50 50 PRO CB C 50 32.796 30.767 2.029 1
1 575 . 20 1 1 A 51 51 LYS H H 51 9.065 8.252 0.813 1
1 576 . 20 1 1 A 51 51 LYS HA H 51 4.870 4.095 0.775 1
1 581 . 20 1 1 A 51 51 LYS CA C 51 59.788 60.779 -0.991 1
1 582 . 20 1 1 A 51 51 LYS CB C 51 28.838 30.316 -1.478 1
1 583 . 20 1 1 A 51 51 LYS N N 51 125.299 121.035 4.264 1
1 584 . 20 1 1 A 52 52 PRO HA H 52 4.391 4.460 -0.069 1
1 591 . 20 1 1 A 52 52 PRO C C 52 181.184 178.941 2.243 1
1 592 . 20 1 1 A 52 52 PRO CA C 52 64.975 65.657 -0.682 1
1 593 . 20 1 1 A 52 52 PRO CB C 52 30.072 31.520 -1.448 1
1 595 . 20 1 1 A 53 53 PHE H H 53 7.144 7.831 -0.687 1
1 596 . 20 1 1 A 53 53 PHE HA H 53 3.875 4.074 -0.199 1
1 601 . 20 1 1 A 53 53 PHE C C 53 177.838 177.690 0.148 1
1 602 . 20 1 1 A 53 53 PHE CA C 53 60.265 61.636 -1.371 1
1 603 . 20 1 1 A 53 53 PHE CB C 53 37.091 39.445 -2.354 1
1 606 . 20 1 1 A 53 53 PHE N N 53 116.868 118.687 -1.819 1
1 607 . 20 1 1 A 54 54 GLU H H 54 7.788 8.336 -0.548 1
1 608 . 20 1 1 A 54 54 GLU HA H 54 3.997 3.871 0.126 1
1 613 . 20 1 1 A 54 54 GLU C C 54 180.998 178.564 2.434 1
1 614 . 20 1 1 A 54 54 GLU CA C 54 58.691 59.301 -0.610 1
1 615 . 20 1 1 A 54 54 GLU CB C 54 29.328 29.524 -0.196 1
1 617 . 20 1 1 A 54 54 GLU N N 54 120.523 119.201 1.322 1
1 618 . 20 1 1 A 55 55 ALA H H 55 8.379 7.892 0.487 1
1 619 . 20 1 1 A 55 55 ALA HA H 55 4.086 4.141 -0.055 1
1 623 . 20 1 1 A 55 55 ALA C C 55 180.899 179.243 1.656 1
1 624 . 20 1 1 A 55 55 ALA CA C 55 53.119 55.110 -1.991 1
1 625 . 20 1 1 A 55 55 ALA CB C 55 17.854 18.019 -0.165 1
1 626 . 20 1 1 A 55 55 ALA N N 55 119.006 121.336 -2.330 1
1 627 . 20 1 1 A 56 56 TRP H H 56 7.575 7.654 -0.079 1
1 628 . 20 1 1 A 56 56 TRP HA H 56 4.616 4.246 0.370 1
1 634 . 20 1 1 A 56 56 TRP C C 56 179.334 177.963 1.371 1
1 635 . 20 1 1 A 56 56 TRP CA C 56 59.039 61.327 -2.288 1
1 636 . 20 1 1 A 56 56 TRP CB C 56 27.791 29.476 -1.685 1
1 639 . 20 1 1 A 56 56 TRP N N 56 119.770 120.277 -0.507 1
1 641 . 20 1 1 A 57 57 ILE H H 57 7.291 8.133 -0.842 1
1 642 . 20 1 1 A 57 57 ILE HA H 57 2.517 3.984 -1.467 1
1 651 . 20 1 1 A 57 57 ILE C C 57 177.768 177.418 0.350 1
1 652 . 20 1 1 A 57 57 ILE CA C 57 62.722 63.642 -0.920 1
1 653 . 20 1 1 A 57 57 ILE CB C 57 36.507 37.108 -0.601 1
1 657 . 20 1 1 A 57 57 ILE N N 57 117.374 118.487 -1.113 1
1 658 . 20 1 1 A 58 58 GLY H H 58 6.565 7.821 -1.256 1
1 659 . 20 1 1 A 58 58 GLY HA2 H 58 3.985 3.933 0.052 1
1 660 . 20 1 1 A 58 58 GLY HA3 H 58 4.069 4.043 0.026 1
1 661 . 20 1 1 A 58 58 GLY C C 58 178.787 175.617 3.170 1
1 662 . 20 1 1 A 58 58 GLY CA C 58 43.958 45.705 -1.747 1
1 663 . 20 1 1 A 58 58 GLY N N 58 110.422 110.026 0.396 1
1 664 . 20 1 1 A 59 59 THR H H 59 7.629 8.157 -0.528 1
1 665 . 20 1 1 A 59 59 THR HA H 59 4.554 3.872 0.682 1
1 670 . 20 1 1 A 59 59 THR CA C 59 60.466 65.308 -4.842 1
1 671 . 20 1 1 A 59 59 THR CB C 59 71.728 68.407 3.321 1
1 672 . 20 1 1 A 59 59 THR N N 59 111.600 117.548 -5.948 1
1 673 . 20 1 1 A 60 60 ALA H H 60 9.010 7.484 1.526 1
1 674 . 20 1 1 A 60 60 ALA HA H 60 4.917 4.552 0.365 1
1 678 . 20 1 1 A 60 60 ALA C C 60 182.933 178.553 4.380 1
1 679 . 20 1 1 A 60 60 ALA CA C 60 54.222 53.073 1.149 1
1 680 . 20 1 1 A 60 60 ALA CB C 60 18.122 20.925 -2.803 1
1 681 . 20 1 1 A 60 60 ALA N N 60 125.890 119.483 6.407 1
1 682 . 20 1 1 A 61 61 ALA H H 61 8.368 8.108 0.260 1
1 683 . 20 1 1 A 61 61 ALA HA H 61 4.256 4.155 0.101 1
1 687 . 20 1 1 A 61 61 ALA C C 61 182.536 179.221 3.315 1
1 688 . 20 1 1 A 61 61 ALA CA C 61 54.071 54.953 -0.882 1
1 689 . 20 1 1 A 61 61 ALA CB C 61 18.122 18.286 -0.164 1
1 690 . 20 1 1 A 61 61 ALA N N 61 121.272 120.731 0.541 1
1 691 . 20 1 1 A 62 62 TYR H H 62 7.310 8.029 -0.719 1
1 692 . 20 1 1 A 62 62 TYR HA H 62 3.381 4.113 -0.732 1
1 697 . 20 1 1 A 62 62 TYR C C 62 177.889 177.378 0.511 1
1 698 . 20 1 1 A 62 62 TYR CA C 62 60.203 61.792 -1.589 1
1 699 . 20 1 1 A 62 62 TYR CB C 62 36.771 38.744 -1.973 1
1 702 . 20 1 1 A 62 62 TYR N N 62 122.066 120.757 1.309 1
1 703 . 20 1 1 A 63 63 THR H H 63 8.303 8.374 -0.071 1
1 704 . 20 1 1 A 63 63 THR HA H 63 4.405 3.780 0.625 1
1 709 . 20 1 1 A 63 63 THR C C 63 178.200 177.290 0.910 1
1 710 . 20 1 1 A 63 63 THR CA C 63 65.547 65.567 -0.020 1
1 711 . 20 1 1 A 63 63 THR CB C 63 67.470 68.726 -1.256 1
1 712 . 20 1 1 A 63 63 THR N N 63 117.473 114.220 3.253 1
1 713 . 20 1 1 A 64 64 ALA H H 64 7.931 7.567 0.364 1
1 714 . 20 1 1 A 64 64 ALA HA H 64 4.220 4.034 0.186 1
1 718 . 20 1 1 A 64 64 ALA C C 64 181.966 179.300 2.666 1
1 719 . 20 1 1 A 64 64 ALA CA C 64 53.966 54.867 -0.901 1
1 720 . 20 1 1 A 64 64 ALA CB C 64 17.432 18.362 -0.930 1
1 721 . 20 1 1 A 64 64 ALA N N 64 123.649 122.988 0.661 1
1 722 . 20 1 1 A 65 65 TRP H H 65 8.049 8.388 -0.339 1
1 723 . 20 1 1 A 65 65 TRP HA H 65 4.294 4.041 0.253 1
1 729 . 20 1 1 A 65 65 TRP C C 65 181.255 178.380 2.875 1
1 730 . 20 1 1 A 65 65 TRP CA C 65 61.458 61.583 -0.125 1
1 731 . 20 1 1 A 65 65 TRP CB C 65 27.748 29.622 -1.874 1
1 734 . 20 1 1 A 65 65 TRP N N 65 121.372 120.647 0.725 1
1 736 . 20 1 1 A 66 66 LYS H H 66 9.624 8.551 1.073 1
1 737 . 20 1 1 A 66 66 LYS HA H 66 4.352 4.117 0.235 1
1 745 . 20 1 1 A 66 66 LYS C C 66 180.615 179.105 1.510 1
1 746 . 20 1 1 A 66 66 LYS CA C 66 56.030 59.651 -3.621 1
1 747 . 20 1 1 A 66 66 LYS CB C 66 30.842 31.977 -1.135 1
1 751 . 20 1 1 A 66 66 LYS N N 66 123.631 118.071 5.560 1
1 752 . 20 1 1 A 67 67 ALA H H 67 8.822 7.986 0.836 1
1 753 . 20 1 1 A 67 67 ALA HA H 67 4.027 4.063 -0.036 1
1 757 . 20 1 1 A 67 67 ALA C C 67 180.899 179.814 1.085 1
1 758 . 20 1 1 A 67 67 ALA CA C 67 53.759 54.992 -1.233 1
1 759 . 20 1 1 A 67 67 ALA CB C 67 17.534 18.219 -0.685 1
1 760 . 20 1 1 A 67 67 ALA N N 67 120.803 122.699 -1.896 1
1 761 . 20 1 1 A 68 68 LYS H H 68 6.888 7.445 -0.557 1
1 762 . 20 1 1 A 68 68 LYS HA H 68 4.233 4.257 -0.024 1
1 771 . 20 1 1 A 68 68 LYS C C 68 175.989 176.653 -0.664 1
1 772 . 20 1 1 A 68 68 LYS CA C 68 54.355 57.736 -3.381 1
1 773 . 20 1 1 A 68 68 LYS CB C 68 33.056 32.810 0.246 1
1 777 . 20 1 1 A 68 68 LYS N N 68 113.741 115.324 -1.583 1
1 778 . 20 1 1 A 69 69 HIS H H 69 7.111 7.902 -0.791 1
1 779 . 20 1 1 A 69 69 HIS HA H 69 4.768 4.987 -0.219 1
1 784 . 20 1 1 A 69 69 HIS CA C 69 52.654 53.775 -1.121 1
1 785 . 20 1 1 A 69 69 HIS CB C 69 27.381 33.021 -5.640 1
1 788 . 20 1 1 A 69 69 HIS N N 69 120.596 115.602 4.994 1
1 789 . 20 1 1 A 70 70 PRO HA H 70 4.230 4.335 -0.105 1
1 796 . 20 1 1 A 70 70 PRO C C 70 179.651 176.800 2.851 1
1 797 . 20 1 1 A 70 70 PRO CA C 70 64.184 65.935 -1.751 1
1 798 . 20 1 1 A 70 70 PRO CB C 70 30.854 31.562 -0.708 1
1 800 . 20 1 1 A 71 71 ASP H H 71 8.619 8.087 0.532 1
1 801 . 20 1 1 A 71 71 ASP HA H 71 4.917 4.952 -0.035 1
1 804 . 20 1 1 A 71 71 ASP C C 71 177.057 176.079 0.978 1
1 805 . 20 1 1 A 71 71 ASP CA C 71 52.975 52.529 0.446 1
1 806 . 20 1 1 A 71 71 ASP CB C 71 40.475 40.766 -0.291 1
1 807 . 20 1 1 A 71 71 ASP N N 71 116.294 116.391 -0.097 1
1 808 . 20 1 1 A 72 72 GLU H H 72 7.389 8.780 -1.391 1
1 809 . 20 1 1 A 72 72 GLU HA H 72 4.920 4.464 0.456 1
1 814 . 20 1 1 A 72 72 GLU C C 72 176.986 177.134 -0.148 1
1 815 . 20 1 1 A 72 72 GLU CA C 72 54.236 58.246 -4.010 1
1 816 . 20 1 1 A 72 72 GLU CB C 72 33.622 31.187 2.435 1
1 818 . 20 1 1 A 72 72 GLU N N 72 120.136 126.260 -6.124 1
1 819 . 20 1 1 A 73 73 LYS H H 73 9.155 7.668 1.487 1
1 820 . 20 1 1 A 73 73 LYS HA H 73 4.245 4.082 0.163 1
1 829 . 20 1 1 A 73 73 LYS C C 73 176.680 176.172 0.508 1
1 830 . 20 1 1 A 73 73 LYS CA C 73 57.999 56.312 1.687 1
1 831 . 20 1 1 A 73 73 LYS CB C 73 33.418 32.082 1.336 1
1 835 . 20 1 1 A 73 73 LYS N N 73 121.554 120.022 1.532 1
1 836 . 20 1 1 A 74 74 PHE H H 74 7.171 9.062 -1.891 1
1 837 . 20 1 1 A 74 74 PHE HA H 74 4.600 4.575 0.025 1
1 843 . 20 1 1 A 74 74 PHE CA C 74 55.159 57.078 -1.919 1
1 844 . 20 1 1 A 74 74 PHE CB C 74 40.451 40.212 0.239 1
1 848 . 20 1 1 A 74 74 PHE N N 74 111.944 127.273 -15.329 1
1 849 . 20 1 1 A 75 75 PRO HA H 75 4.640 4.344 0.296 1
1 856 . 20 1 1 A 75 75 PRO C C 75 176.914 174.805 2.109 1
1 857 . 20 1 1 A 75 75 PRO CA C 75 62.713 61.994 0.719 1
1 858 . 20 1 1 A 75 75 PRO CB C 75 30.073 28.914 1.159 1
1 860 . 20 1 1 A 76 76 ALA H H 76 9.039 8.627 0.412 1
1 861 . 20 1 1 A 76 76 ALA HA H 76 4.870 5.137 -0.267 1
1 865 . 20 1 1 A 76 76 ALA C C 76 179.974 176.935 3.039 1
1 866 . 20 1 1 A 76 76 ALA CA C 76 50.923 50.557 0.366 1
1 867 . 20 1 1 A 76 76 ALA CB C 76 18.130 20.893 -2.763 1
1 868 . 20 1 1 A 76 76 ALA N N 76 128.387 125.304 3.083 1
1 869 . 20 1 1 A 77 77 PHE H H 77 8.117 8.704 -0.587 1
1 870 . 20 1 1 A 77 77 PHE HA H 77 4.915 5.205 -0.290 1
1 875 . 20 1 1 A 77 77 PHE CA C 77 53.371 54.768 -1.397 1
1 876 . 20 1 1 A 77 77 PHE CB C 77 36.523 40.887 -4.364 1
1 878 . 20 1 1 A 77 77 PHE N N 77 125.115 118.898 6.217 1
1 879 . 20 1 1 A 78 78 PRO HA H 78 4.245 4.832 -0.587 1
1 886 . 20 1 1 A 78 78 PRO C C 78 176.487 176.050 0.437 1
1 887 . 20 1 1 A 78 78 PRO CA C 78 62.480 62.293 0.187 1
1 888 . 20 1 1 A 78 78 PRO CB C 78 30.324 31.147 -0.823 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 63 2.180 1
2 1 1 1 "RMS(OBS, PRED)" CA 76 2.135 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 2.344 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.748 1
5 1 1 1 "RMS(OBS, PRED)" HA 80 0.536 1
6 1 1 1 "RMS(OBS, PRED)" N 67 4.159 1
7 1 2 1 "RMS(OBS, PRED)" C 63 2.186 1
8 1 2 1 "RMS(OBS, PRED)" CA 76 2.137 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 2.286 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.720 1
11 1 2 1 "RMS(OBS, PRED)" HA 80 0.522 1
12 1 2 1 "RMS(OBS, PRED)" N 67 4.050 1
13 1 3 1 "RMS(OBS, PRED)" C 63 2.223 1
14 1 3 1 "RMS(OBS, PRED)" CA 76 2.112 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 2.350 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.745 1
17 1 3 1 "RMS(OBS, PRED)" HA 80 0.523 1
18 1 3 1 "RMS(OBS, PRED)" N 67 4.194 1
19 1 4 1 "RMS(OBS, PRED)" C 63 2.181 1
20 1 4 1 "RMS(OBS, PRED)" CA 76 2.161 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 2.314 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.708 1
23 1 4 1 "RMS(OBS, PRED)" HA 80 0.533 1
24 1 4 1 "RMS(OBS, PRED)" N 67 4.091 1
25 1 5 1 "RMS(OBS, PRED)" C 63 2.181 1
26 1 5 1 "RMS(OBS, PRED)" CA 76 2.148 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 2.332 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.748 1
29 1 5 1 "RMS(OBS, PRED)" HA 80 0.540 1
30 1 5 1 "RMS(OBS, PRED)" N 67 4.122 1
31 1 6 1 "RMS(OBS, PRED)" C 63 2.241 1
32 1 6 1 "RMS(OBS, PRED)" CA 76 2.117 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 2.358 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.742 1
35 1 6 1 "RMS(OBS, PRED)" HA 80 0.546 1
36 1 6 1 "RMS(OBS, PRED)" N 67 4.181 1
37 1 7 1 "RMS(OBS, PRED)" C 63 2.212 1
38 1 7 1 "RMS(OBS, PRED)" CA 76 2.145 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 2.224 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.732 1
41 1 7 1 "RMS(OBS, PRED)" HA 80 0.530 1
42 1 7 1 "RMS(OBS, PRED)" N 67 4.136 1
43 1 8 1 "RMS(OBS, PRED)" C 63 2.164 1
44 1 8 1 "RMS(OBS, PRED)" CA 76 2.190 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 2.422 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.752 1
47 1 8 1 "RMS(OBS, PRED)" HA 80 0.541 1
48 1 8 1 "RMS(OBS, PRED)" N 67 4.119 1
49 1 9 1 "RMS(OBS, PRED)" C 63 2.219 1
50 1 9 1 "RMS(OBS, PRED)" CA 76 2.158 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 2.305 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.714 1
53 1 9 1 "RMS(OBS, PRED)" HA 80 0.529 1
54 1 9 1 "RMS(OBS, PRED)" N 67 4.154 1
55 1 10 1 "RMS(OBS, PRED)" C 63 2.215 1
56 1 10 1 "RMS(OBS, PRED)" CA 76 2.163 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 2.295 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.741 1
59 1 10 1 "RMS(OBS, PRED)" HA 80 0.526 1
60 1 10 1 "RMS(OBS, PRED)" N 67 4.208 1
61 1 11 1 "RMS(OBS, PRED)" C 63 2.207 1
62 1 11 1 "RMS(OBS, PRED)" CA 76 2.160 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 2.387 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.730 1
65 1 11 1 "RMS(OBS, PRED)" HA 80 0.555 1
66 1 11 1 "RMS(OBS, PRED)" N 67 4.158 1
67 1 12 1 "RMS(OBS, PRED)" C 63 2.262 1
68 1 12 1 "RMS(OBS, PRED)" CA 76 2.150 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 2.279 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.728 1
71 1 12 1 "RMS(OBS, PRED)" HA 80 0.526 1
72 1 12 1 "RMS(OBS, PRED)" N 67 4.263 1
73 1 13 1 "RMS(OBS, PRED)" C 63 2.219 1
74 1 13 1 "RMS(OBS, PRED)" CA 76 2.153 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 2.336 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.746 1
77 1 13 1 "RMS(OBS, PRED)" HA 80 0.527 1
78 1 13 1 "RMS(OBS, PRED)" N 67 4.054 1
79 1 14 1 "RMS(OBS, PRED)" C 63 2.226 1
80 1 14 1 "RMS(OBS, PRED)" CA 76 2.158 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 2.429 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.723 1
83 1 14 1 "RMS(OBS, PRED)" HA 80 0.543 1
84 1 14 1 "RMS(OBS, PRED)" N 67 4.171 1
85 1 15 1 "RMS(OBS, PRED)" C 63 2.195 1
86 1 15 1 "RMS(OBS, PRED)" CA 76 2.161 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 2.527 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.728 1
89 1 15 1 "RMS(OBS, PRED)" HA 80 0.547 1
90 1 15 1 "RMS(OBS, PRED)" N 67 4.476 1
91 1 16 1 "RMS(OBS, PRED)" C 63 2.220 1
92 1 16 1 "RMS(OBS, PRED)" CA 76 2.172 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 2.384 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.743 1
95 1 16 1 "RMS(OBS, PRED)" HA 80 0.557 1
96 1 16 1 "RMS(OBS, PRED)" N 67 4.084 1
97 1 17 1 "RMS(OBS, PRED)" C 63 2.241 1
98 1 17 1 "RMS(OBS, PRED)" CA 76 2.127 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 2.415 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.725 1
101 1 17 1 "RMS(OBS, PRED)" HA 80 0.523 1
102 1 17 1 "RMS(OBS, PRED)" N 67 4.050 1
103 1 18 1 "RMS(OBS, PRED)" C 63 2.220 1
104 1 18 1 "RMS(OBS, PRED)" CA 76 2.125 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 2.242 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.752 1
107 1 18 1 "RMS(OBS, PRED)" HA 80 0.554 1
108 1 18 1 "RMS(OBS, PRED)" N 67 4.104 1
109 1 19 1 "RMS(OBS, PRED)" C 63 2.182 1
110 1 19 1 "RMS(OBS, PRED)" CA 76 2.200 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 2.316 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.710 1
113 1 19 1 "RMS(OBS, PRED)" HA 80 0.529 1
114 1 19 1 "RMS(OBS, PRED)" N 67 4.152 1
115 1 20 1 "RMS(OBS, PRED)" C 63 2.214 1
116 1 20 1 "RMS(OBS, PRED)" CA 76 2.105 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 2.397 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.781 1
119 1 20 1 "RMS(OBS, PRED)" HA 80 0.531 1
120 1 20 1 "RMS(OBS, PRED)" N 67 4.228 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 13 . 1 1 A 2 2 ASN H H 2 9.438 8.967 0.471 2
1 14 . 1 1 A 2 2 ASN HA H 2 5.912 4.601 1.310 2
1 19 . 1 1 A 2 2 ASN C C 2 175.436 175.924 -0.488 2
1 20 . 1 1 A 2 2 ASN CA C 2 54.299 56.290 -1.991 2
1 21 . 1 1 A 2 2 ASN CB C 2 38.092 38.655 -0.563 2
1 22 . 1 1 A 2 2 ASN N N 2 121.344 121.069 0.275 2
1 24 . 1 1 A 3 3 VAL H H 3 8.328 7.691 0.637 2
1 25 . 1 1 A 3 3 VAL HA H 3 4.161 4.630 -0.469 2
1 30 . 1 1 A 3 3 VAL C C 3 178.200 175.255 2.945 2
1 31 . 1 1 A 3 3 VAL CA C 3 61.577 61.946 -0.369 2
1 32 . 1 1 A 3 3 VAL CB C 3 32.162 32.603 -0.441 2
1 34 . 1 1 A 3 3 VAL N N 3 122.195 118.871 3.324 2
1 35 . 1 1 A 4 4 LYS H H 4 8.474 8.633 -0.159 2
1 36 . 1 1 A 4 4 LYS HA H 4 4.283 4.818 -0.535 2
1 44 . 1 1 A 4 4 LYS C C 4 177.509 175.392 2.117 2
1 45 . 1 1 A 4 4 LYS CA C 4 55.197 55.024 0.173 2
1 46 . 1 1 A 4 4 LYS CB C 4 30.194 35.921 -5.727 2
1 47 . 1 1 A 4 4 LYS N N 4 122.239 128.905 -6.666 2
1 48 . 1 1 A 5 5 GLN H H 5 8.507 8.549 -0.042 2
1 49 . 1 1 A 5 5 GLN HA H 5 4.383 4.402 -0.019 2
1 56 . 1 1 A 5 5 GLN C C 5 177.440 176.285 1.155 2
1 57 . 1 1 A 5 5 GLN CA C 5 55.081 56.074 -0.993 2
1 58 . 1 1 A 5 5 GLN CB C 5 29.505 29.744 -0.239 2
1 60 . 1 1 A 5 5 GLN N N 5 123.847 124.893 -1.046 2
1 62 . 1 1 A 6 6 LYS H H 6 8.407 8.671 -0.264 2
1 63 . 1 1 A 6 6 LYS HA H 6 4.392 4.546 -0.154 2
1 72 . 1 1 A 6 6 LYS C C 6 178.373 175.940 2.433 2
1 73 . 1 1 A 6 6 LYS CA C 6 61.491 56.560 4.931 2
1 74 . 1 1 A 6 6 LYS CB C 6 31.993 33.559 -1.566 2
1 78 . 1 1 A 6 6 LYS N N 6 123.099 121.689 1.410 2
1 79 . 1 1 A 7 7 SER H H 7 8.516 8.822 -0.306 2
1 80 . 1 1 A 7 7 SER HA H 7 4.483 5.122 -0.639 2
1 83 . 1 1 A 7 7 SER C C 7 175.401 173.356 2.045 2
1 84 . 1 1 A 7 7 SER CA C 7 57.370 57.605 -0.235 2
1 85 . 1 1 A 7 7 SER CB C 7 62.979 64.825 -1.846 2
1 86 . 1 1 A 7 7 SER N N 7 117.184 118.482 -1.298 2
1 87 . 1 1 A 8 8 GLU H H 8 8.548 9.138 -0.590 2
1 88 . 1 1 A 8 8 GLU HA H 8 4.397 5.110 -0.713 2
1 93 . 1 1 A 8 8 GLU C C 8 177.785 175.337 2.448 2
1 94 . 1 1 A 8 8 GLU CA C 8 55.856 55.352 0.504 2
1 95 . 1 1 A 8 8 GLU CB C 8 29.726 30.474 -0.748 2
1 97 . 1 1 A 8 8 GLU N N 8 123.697 125.196 -1.499 2
1 98 . 1 1 A 9 9 ILE H H 9 8.279 8.877 -0.598 2
1 99 . 1 1 A 9 9 ILE HA H 9 4.276 4.722 -0.446 2
1 109 . 1 1 A 9 9 ILE C C 9 177.958 175.725 2.233 2
1 110 . 1 1 A 9 9 ILE CA C 9 60.538 59.960 0.578 2
1 111 . 1 1 A 9 9 ILE CB C 9 37.725 40.924 -3.199 2
1 115 . 1 1 A 9 9 ILE N N 9 122.616 125.205 -2.589 2
1 116 . 1 1 A 10 10 THR H H 10 8.255 8.670 -0.415 2
1 117 . 1 1 A 10 10 THR HA H 10 4.592 4.431 0.161 2
1 122 . 1 1 A 10 10 THR C C 10 174.993 174.168 0.825 2
1 123 . 1 1 A 10 10 THR CA C 10 61.010 62.403 -1.393 2
1 124 . 1 1 A 10 10 THR CB C 10 68.505 69.485 -0.980 2
1 126 . 1 1 A 10 10 THR N N 10 119.401 121.593 -2.192 2
1 127 . 1 1 A 11 11 ALA H H 11 8.308 8.304 0.004 2
1 128 . 1 1 A 11 11 ALA HA H 11 4.400 4.538 -0.138 2
1 132 . 1 1 A 11 11 ALA C C 11 178.822 177.074 1.748 2
1 133 . 1 1 A 11 11 ALA CA C 11 51.438 52.536 -1.098 2
1 134 . 1 1 A 11 11 ALA CB C 11 18.303 19.078 -0.775 2
1 135 . 1 1 A 11 11 ALA N N 11 127.285 127.008 0.277 2
1 136 . 1 1 A 12 12 LEU H H 12 8.228 8.737 -0.509 2
1 137 . 1 1 A 12 12 LEU HA H 12 4.457 4.926 -0.469 2
1 147 . 1 1 A 12 12 LEU C C 12 178.787 176.107 2.680 2
1 148 . 1 1 A 12 12 LEU CA C 12 54.261 53.517 0.744 2
1 149 . 1 1 A 12 12 LEU CB C 12 41.457 44.642 -3.185 2
1 152 . 1 1 A 12 12 LEU N N 12 122.431 124.051 -1.620 2
1 153 . 1 1 A 13 13 VAL H H 13 8.171 8.461 -0.290 2
1 154 . 1 1 A 13 13 VAL HA H 13 4.164 4.087 0.077 2
1 159 . 1 1 A 13 13 VAL C C 13 177.412 175.593 1.819 2
1 160 . 1 1 A 13 13 VAL CA C 13 61.489 62.327 -0.838 2
1 161 . 1 1 A 13 13 VAL CB C 13 31.791 32.562 -0.771 2
1 163 . 1 1 A 13 13 VAL N N 13 122.619 121.559 1.060 2
1 164 . 1 1 A 14 14 LYS H H 14 8.459 8.130 0.329 2
1 165 . 1 1 A 14 14 LYS HA H 14 4.375 4.366 0.009 2
1 174 . 1 1 A 14 14 LYS C C 14 177.509 176.534 0.975 2
1 175 . 1 1 A 14 14 LYS CA C 14 55.532 56.320 -0.788 2
1 176 . 1 1 A 14 14 LYS CB C 14 32.114 33.212 -1.098 2
1 180 . 1 1 A 14 14 LYS N N 14 125.566 124.731 0.835 2
1 181 . 1 1 A 15 15 GLU H H 15 8.434 8.669 -0.235 2
1 182 . 1 1 A 15 15 GLU HA H 15 4.380 4.611 -0.230 2
1 187 . 1 1 A 15 15 GLU C C 15 177.440 176.086 1.354 2
1 188 . 1 1 A 15 15 GLU CA C 15 55.302 56.292 -0.990 2
1 189 . 1 1 A 15 15 GLU CB C 15 29.616 30.190 -0.574 2
1 190 . 1 1 A 15 15 GLU N N 15 123.950 124.514 -0.564 2
1 191 . 1 1 A 16 16 VAL H H 16 8.326 8.565 -0.239 2
1 192 . 1 1 A 16 16 VAL HA H 16 4.205 4.660 -0.455 2
1 197 . 1 1 A 16 16 VAL CA C 16 61.613 60.624 0.989 2
1 198 . 1 1 A 16 16 VAL CB C 16 32.231 35.441 -3.211 2
1 199 . 1 1 A 16 16 VAL N N 16 123.175 123.966 -0.791 2
1 200 . 1 1 A 17 17 THR H H 17 8.171 8.928 -0.757 2
1 201 . 1 1 A 17 17 THR HA H 17 4.470 4.162 0.308 2
1 206 . 1 1 A 17 17 THR CA C 17 57.893 67.410 -9.518 2
1 207 . 1 1 A 17 17 THR CB C 17 70.047 67.437 2.610 2
1 208 . 1 1 A 17 17 THR N N 17 119.533 120.089 -0.556 2
1 209 . 1 1 A 19 19 PRO HA H 19 4.355 4.759 -0.404 2
1 212 . 1 1 A 19 19 PRO C C 19 177.057 175.530 1.527 2
1 213 . 1 1 A 19 19 PRO CA C 19 61.531 62.433 -0.902 2
1 214 . 1 1 A 19 19 PRO CB C 19 31.869 29.391 2.478 2
1 215 . 1 1 A 20 20 ARG H H 20 8.435 8.655 -0.220 2
1 216 . 1 1 A 20 20 ARG HA H 20 4.391 4.739 -0.348 2
1 223 . 1 1 A 20 20 ARG C C 20 177.509 174.096 3.413 2
1 224 . 1 1 A 20 20 ARG CA C 20 55.300 55.239 0.061 2
1 225 . 1 1 A 20 20 ARG CB C 20 32.492 33.513 -1.021 2
1 228 . 1 1 A 20 20 ARG N N 20 126.489 123.185 3.304 2
1 229 . 1 1 A 21 21 LYS H H 21 8.426 8.873 -0.448 2
1 230 . 1 1 A 21 21 LYS HA H 21 4.397 4.944 -0.547 2
1 239 . 1 1 A 21 21 LYS C C 21 177.412 175.385 2.027 2
1 240 . 1 1 A 21 21 LYS CA C 21 55.296 54.786 0.510 2
1 241 . 1 1 A 21 21 LYS CB C 21 29.837 34.438 -4.601 2
1 244 . 1 1 A 21 21 LYS N N 21 123.626 125.602 -1.976 2
1 245 . 1 1 A 22 22 ALA H H 22 8.378 8.807 -0.429 2
1 246 . 1 1 A 22 22 ALA HA H 22 4.628 4.710 -0.082 2
1 250 . 1 1 A 22 22 ALA CA C 22 49.376 50.155 -0.779 2
1 251 . 1 1 A 22 22 ALA CB C 22 17.501 19.484 -1.983 2
1 252 . 1 1 A 22 22 ALA N N 22 127.197 128.325 -1.128 2
1 253 . 1 1 A 23 23 PRO HA H 23 4.219 4.802 -0.583 2
1 257 . 1 1 A 23 23 PRO C C 23 177.440 175.548 1.892 2
1 258 . 1 1 A 23 23 PRO CA C 23 61.724 62.230 -0.506 2
1 259 . 1 1 A 23 23 PRO CB C 23 32.162 29.309 2.853 2
1 260 . 1 1 A 24 24 SER H H 24 8.425 8.445 -0.020 2
1 261 . 1 1 A 24 24 SER HA H 24 4.344 4.700 -0.356 2
1 264 . 1 1 A 24 24 SER C C 24 175.610 174.145 1.465 2
1 265 . 1 1 A 24 24 SER CA C 24 58.845 57.416 1.429 2
1 266 . 1 1 A 24 24 SER CB C 24 68.920 64.266 4.654 2
1 267 . 1 1 A 24 24 SER N N 24 122.433 117.008 5.425 2
1 268 . 1 1 A 25 25 LYS H H 25 8.323 8.509 -0.186 2
1 269 . 1 1 A 25 25 LYS HA H 25 4.137 4.518 -0.381 2
1 276 . 1 1 A 25 25 LYS C C 25 177.462 175.149 2.312 2
1 277 . 1 1 A 25 25 LYS CA C 25 55.504 55.757 -0.253 2
1 278 . 1 1 A 25 25 LYS CB C 25 32.155 32.008 0.147 2
1 281 . 1 1 A 25 25 LYS N N 25 121.718 124.973 -3.255 2
1 282 . 1 1 A 26 26 ALA H H 26 8.333 8.535 -0.202 2
1 283 . 1 1 A 26 26 ALA HA H 26 4.334 5.579 -1.245 2
1 287 . 1 1 A 26 26 ALA CA C 26 51.512 50.530 0.982 2
1 288 . 1 1 A 26 26 ALA CB C 26 18.486 21.143 -2.657 2
1 289 . 1 1 A 26 26 ALA N N 26 125.817 128.385 -2.568 2
1 290 . 1 1 A 27 27 LYS H H 27 8.347 8.728 -0.381 2
1 291 . 1 1 A 27 27 LYS HA H 27 4.354 5.019 -0.664 2
1 300 . 1 1 A 27 27 LYS C C 27 177.923 175.415 2.508 2
1 301 . 1 1 A 27 27 LYS CA C 27 55.413 54.588 0.825 2
1 302 . 1 1 A 27 27 LYS CB C 27 32.162 35.124 -2.962 2
1 306 . 1 1 A 27 27 LYS N N 27 121.810 122.850 -1.040 2
1 307 . 1 1 A 28 28 ARG H H 28 8.440 8.523 -0.083 2
1 308 . 1 1 A 28 28 ARG HA H 28 4.672 5.052 -0.380 2
1 315 . 1 1 A 28 28 ARG C C 28 177.474 175.413 2.061 2
1 316 . 1 1 A 28 28 ARG CA C 28 55.140 54.997 0.143 2
1 317 . 1 1 A 28 28 ARG CB C 28 28.508 31.286 -2.778 2
1 318 . 1 1 A 28 28 ARG N N 28 122.679 124.097 -1.418 2
1 319 . 1 1 A 29 29 GLU H H 29 8.470 8.498 -0.028 2
1 320 . 1 1 A 29 29 GLU HA H 29 4.391 5.175 -0.784 2
1 325 . 1 1 A 29 29 GLU C C 29 177.057 175.255 1.802 2
1 326 . 1 1 A 29 29 GLU CA C 29 55.634 54.691 0.943 2
1 327 . 1 1 A 29 29 GLU CB C 29 32.461 33.592 -1.131 2
1 329 . 1 1 A 29 29 GLU N N 29 124.395 123.250 1.145 2
1 330 . 1 1 A 30 30 ALA H H 30 8.485 8.644 -0.159 2
1 331 . 1 1 A 30 30 ALA HA H 30 4.652 4.681 -0.029 2
1 335 . 1 1 A 30 30 ALA CA C 30 49.523 49.650 -0.127 2
1 336 . 1 1 A 30 30 ALA CB C 30 17.328 20.032 -2.704 2
1 337 . 1 1 A 30 30 ALA N N 30 128.118 126.628 1.490 2
1 338 . 1 1 A 31 31 PRO HA H 31 4.440 4.601 -0.161 2
1 345 . 1 1 A 31 31 PRO C C 31 177.612 176.186 1.426 2
1 346 . 1 1 A 31 31 PRO CA C 31 61.605 64.198 -2.593 2
1 347 . 1 1 A 31 31 PRO CB C 31 31.616 32.407 -0.791 2
1 348 . 1 1 A 32 32 ILE H H 32 8.202 7.946 0.256 2
1 349 . 1 1 A 32 32 ILE HA H 32 3.503 4.726 -1.223 2
1 359 . 1 1 A 32 32 ILE C C 32 176.061 176.400 -0.340 2
1 360 . 1 1 A 32 32 ILE CA C 32 60.929 58.923 2.006 2
1 361 . 1 1 A 32 32 ILE CB C 32 37.219 40.945 -3.726 2
1 365 . 1 1 A 32 32 ILE N N 32 121.270 115.794 5.476 2
1 366 . 1 1 A 33 33 LYS H H 33 7.434 9.234 -1.800 2
1 367 . 1 1 A 33 33 LYS HA H 33 4.370 4.370 0.000 2
1 376 . 1 1 A 33 33 LYS C C 33 176.960 177.485 -0.525 2
1 377 . 1 1 A 33 33 LYS CA C 33 56.553 59.211 -2.658 2
1 378 . 1 1 A 33 33 LYS CB C 33 35.043 32.286 2.757 2
1 382 . 1 1 A 33 33 LYS N N 33 126.133 124.489 1.644 2
1 383 . 1 1 A 34 34 TYR H H 34 7.974 8.475 -0.501 2
1 384 . 1 1 A 34 34 TYR HA H 34 4.551 4.260 0.291 2
1 389 . 1 1 A 34 34 TYR CA C 34 57.337 61.599 -4.262 2
1 390 . 1 1 A 34 34 TYR CB C 34 38.051 38.493 -0.442 2
1 393 . 1 1 A 34 34 TYR N N 34 121.936 120.588 1.348 2
1 394 . 1 1 A 35 35 TRP H H 35 7.912 8.062 -0.150 2
1 395 . 1 1 A 35 35 TRP HA H 35 4.687 4.481 0.206 2
1 403 . 1 1 A 35 35 TRP C C 35 171.862 175.864 -4.002 2
1 404 . 1 1 A 35 35 TRP CA C 35 56.720 60.034 -3.314 2
1 405 . 1 1 A 35 35 TRP CB C 35 28.638 30.943 -2.305 2
1 410 . 1 1 A 35 35 TRP N N 35 122.844 121.096 1.749 2
1 412 . 1 1 A 36 36 LEU H H 36 7.598 8.001 -0.403 2
1 413 . 1 1 A 36 36 LEU HA H 36 4.028 4.791 -0.763 2
1 423 . 1 1 A 36 36 LEU CA C 36 47.586 51.184 -3.598 2
1 424 . 1 1 A 36 36 LEU CB C 36 39.448 44.244 -4.796 2
1 428 . 1 1 A 36 36 LEU N N 36 117.117 117.887 -0.770 2
1 429 . 1 1 A 37 37 PRO HA H 37 4.340 4.538 -0.198 2
1 436 . 1 1 A 37 37 PRO C C 37 175.850 176.276 -0.426 2
1 437 . 1 1 A 37 37 PRO CA C 37 62.513 64.455 -1.942 2
1 438 . 1 1 A 37 37 PRO CB C 37 31.510 31.885 -0.375 2
1 439 . 1 1 A 38 38 HIS H H 38 7.704 7.832 -0.128 2
1 440 . 1 1 A 38 38 HIS HA H 38 4.366 5.003 -0.637 2
1 445 . 1 1 A 38 38 HIS C C 38 176.772 173.389 3.383 2
1 446 . 1 1 A 38 38 HIS CA C 38 56.604 54.291 2.313 2
1 447 . 1 1 A 38 38 HIS CB C 38 28.736 31.701 -2.965 2
1 450 . 1 1 A 38 38 HIS N N 38 111.845 116.405 -4.560 2
1 451 . 1 1 A 39 39 SER H H 39 6.451 8.844 -2.393 2
1 452 . 1 1 A 39 39 SER HA H 39 4.620 4.791 -0.171 2
1 455 . 1 1 A 39 39 SER C C 39 176.576 174.336 2.240 2
1 456 . 1 1 A 39 39 SER CA C 39 56.604 58.681 -2.077 2
1 457 . 1 1 A 39 39 SER CB C 39 65.579 63.447 2.132 2
1 458 . 1 1 A 39 39 SER N N 39 113.386 121.471 -8.085 2
1 459 . 1 1 A 40 40 GLY H H 40 8.420 8.548 -0.128 2
1 460 . 1 1 A 40 40 GLY HA2 H 40 4.346 4.218 0.128 2
1 461 . 1 1 A 40 40 GLY HA3 H 40 3.741 4.253 -0.512 2
1 462 . 1 1 A 40 40 GLY C C 40 176.997 173.300 3.697 2
1 463 . 1 1 A 40 40 GLY CA C 40 44.153 45.562 -1.409 2
1 464 . 1 1 A 40 40 GLY N N 40 113.160 112.037 1.123 2
1 465 . 1 1 A 41 41 ALA H H 41 7.187 8.623 -1.436 2
1 466 . 1 1 A 41 41 ALA HA H 41 4.397 5.171 -0.774 2
1 470 . 1 1 A 41 41 ALA C C 41 177.989 175.699 2.290 2
1 471 . 1 1 A 41 41 ALA CA C 41 51.533 50.792 0.741 2
1 472 . 1 1 A 41 41 ALA CB C 41 17.990 21.396 -3.406 2
1 473 . 1 1 A 41 41 ALA N N 41 123.786 125.979 -2.193 2
1 474 . 1 1 A 42 42 THR H H 42 8.358 8.887 -0.529 2
1 475 . 1 1 A 42 42 THR HA H 42 5.612 4.827 0.785 2
1 480 . 1 1 A 42 42 THR C C 42 175.505 173.236 2.269 2
1 481 . 1 1 A 42 42 THR CA C 42 58.816 61.082 -2.266 2
1 482 . 1 1 A 42 42 THR CB C 42 71.944 69.400 2.544 2
1 484 . 1 1 A 42 42 THR N N 42 108.609 118.683 -10.074 2
1 485 . 1 1 A 43 43 TRP H H 43 8.625 8.797 -0.172 2
1 486 . 1 1 A 43 43 TRP HA H 43 5.338 5.270 0.068 2
1 494 . 1 1 A 43 43 TRP C C 43 177.892 174.750 3.141 2
1 495 . 1 1 A 43 43 TRP CA C 43 54.345 55.170 -0.825 2
1 496 . 1 1 A 43 43 TRP CB C 43 31.571 31.188 0.383 2
1 501 . 1 1 A 43 43 TRP N N 43 117.778 132.237 -14.459 2
1 503 . 1 1 A 44 44 SER H H 44 8.451 8.988 -0.537 2
1 504 . 1 1 A 44 44 SER HA H 44 4.498 5.112 -0.614 2
1 507 . 1 1 A 44 44 SER C C 44 175.850 174.155 1.695 2
1 508 . 1 1 A 44 44 SER CA C 44 57.363 57.406 -0.043 2
1 509 . 1 1 A 44 44 SER CB C 44 62.550 63.678 -1.128 2
1 510 . 1 1 A 44 44 SER N N 44 117.818 122.420 -4.602 2
1 511 . 1 1 A 45 45 GLY H H 45 7.513 8.236 -0.723 2
1 512 . 1 1 A 45 45 GLY HA2 H 45 4.344 4.222 0.122 2
1 513 . 1 1 A 45 45 GLY HA3 H 45 3.775 4.314 -0.539 2
1 514 . 1 1 A 45 45 GLY C C 45 172.858 173.522 -0.664 2
1 515 . 1 1 A 45 45 GLY CA C 45 44.312 46.098 -1.786 2
1 516 . 1 1 A 45 45 GLY N N 45 111.146 112.131 -0.985 2
1 517 . 1 1 A 46 46 ARG H H 46 8.534 8.063 0.471 2
1 518 . 1 1 A 46 46 ARG HA H 46 4.632 4.244 0.388 2
1 525 . 1 1 A 46 46 ARG C C 46 177.983 175.933 2.050 2
1 526 . 1 1 A 46 46 ARG CA C 46 53.530 55.456 -1.926 2
1 527 . 1 1 A 46 46 ARG CB C 46 31.064 30.825 0.239 2
1 530 . 1 1 A 46 46 ARG N N 46 120.921 123.883 -2.962 2
1 531 . 1 1 A 47 47 GLY H H 47 8.864 8.610 0.254 2
1 532 . 1 1 A 47 47 GLY HA2 H 47 3.919 3.763 0.156 2
1 533 . 1 1 A 47 47 GLY HA3 H 47 4.336 3.783 0.553 2
1 534 . 1 1 A 47 47 GLY C C 47 177.440 173.345 4.095 2
1 535 . 1 1 A 47 47 GLY CA C 47 44.060 46.621 -2.561 2
1 536 . 1 1 A 47 47 GLY N N 47 111.872 112.300 -0.428 2
1 537 . 1 1 A 48 48 LYS H H 48 7.752 7.987 -0.235 2
1 538 . 1 1 A 48 48 LYS HA H 48 4.274 4.436 -0.162 2
1 547 . 1 1 A 48 48 LYS C C 48 178.053 175.303 2.750 2
1 548 . 1 1 A 48 48 LYS CA C 48 55.302 55.482 -0.180 2
1 549 . 1 1 A 48 48 LYS CB C 48 32.162 32.709 -0.547 2
1 550 . 1 1 A 48 48 LYS N N 48 125.971 123.421 2.550 2
1 551 . 1 1 A 49 49 ILE H H 49 8.236 8.629 -0.393 2
1 552 . 1 1 A 49 49 ILE HA H 49 2.797 4.667 -1.870 2
1 562 . 1 1 A 49 49 ILE CA C 49 58.222 57.788 0.434 2
1 563 . 1 1 A 49 49 ILE CB C 49 37.578 39.900 -2.322 2
1 567 . 1 1 A 49 49 ILE N N 49 126.182 126.752 -0.570 2
1 568 . 1 1 A 50 50 PRO HA H 50 4.344 4.598 -0.254 2
1 571 . 1 1 A 50 50 PRO C C 50 178.547 176.652 1.895 2
1 572 . 1 1 A 50 50 PRO CA C 50 60.998 63.087 -2.089 2
1 573 . 1 1 A 50 50 PRO CB C 50 32.796 30.434 2.361 2
1 575 . 1 1 A 51 51 LYS H H 51 9.065 8.178 0.887 2
1 576 . 1 1 A 51 51 LYS HA H 51 4.870 4.062 0.808 2
1 581 . 1 1 A 51 51 LYS CA C 51 59.788 60.598 -0.810 2
1 582 . 1 1 A 51 51 LYS CB C 51 28.838 30.664 -1.826 2
1 583 . 1 1 A 51 51 LYS N N 51 125.299 121.799 3.500 2
1 584 . 1 1 A 52 52 PRO HA H 52 4.391 4.397 -0.006 2
1 591 . 1 1 A 52 52 PRO C C 52 181.184 178.914 2.270 2
1 592 . 1 1 A 52 52 PRO CA C 52 64.975 65.543 -0.568 2
1 593 . 1 1 A 52 52 PRO CB C 52 30.072 31.211 -1.139 2
1 595 . 1 1 A 53 53 PHE H H 53 7.144 7.663 -0.519 2
1 596 . 1 1 A 53 53 PHE HA H 53 3.875 4.048 -0.173 2
1 601 . 1 1 A 53 53 PHE C C 53 177.838 177.738 0.100 2
1 602 . 1 1 A 53 53 PHE CA C 53 60.265 61.564 -1.299 2
1 603 . 1 1 A 53 53 PHE CB C 53 37.091 39.382 -2.291 2
1 606 . 1 1 A 53 53 PHE N N 53 116.868 118.604 -1.736 2
1 607 . 1 1 A 54 54 GLU H H 54 7.788 8.483 -0.695 2
1 608 . 1 1 A 54 54 GLU HA H 54 3.997 3.850 0.147 2
1 613 . 1 1 A 54 54 GLU C C 54 180.998 178.625 2.373 2
1 614 . 1 1 A 54 54 GLU CA C 54 58.691 59.205 -0.514 2
1 615 . 1 1 A 54 54 GLU CB C 54 29.328 29.472 -0.144 2
1 617 . 1 1 A 54 54 GLU N N 54 120.523 119.217 1.306 2
1 618 . 1 1 A 55 55 ALA H H 55 8.379 7.865 0.514 2
1 619 . 1 1 A 55 55 ALA HA H 55 4.086 4.079 0.007 2
1 623 . 1 1 A 55 55 ALA C C 55 180.899 179.162 1.737 2
1 624 . 1 1 A 55 55 ALA CA C 55 53.119 55.089 -1.970 2
1 625 . 1 1 A 55 55 ALA CB C 55 17.854 18.214 -0.360 2
1 626 . 1 1 A 55 55 ALA N N 55 119.006 121.392 -2.386 2
1 627 . 1 1 A 56 56 TRP H H 56 7.575 7.736 -0.161 2
1 628 . 1 1 A 56 56 TRP HA H 56 4.616 4.299 0.317 2
1 634 . 1 1 A 56 56 TRP C C 56 179.334 177.998 1.336 2
1 635 . 1 1 A 56 56 TRP CA C 56 59.039 61.282 -2.243 2
1 636 . 1 1 A 56 56 TRP CB C 56 27.791 29.549 -1.758 2
1 639 . 1 1 A 56 56 TRP N N 56 119.770 120.086 -0.316 2
1 641 . 1 1 A 57 57 ILE H H 57 7.291 8.133 -0.842 2
1 642 . 1 1 A 57 57 ILE HA H 57 2.517 3.892 -1.375 2
1 651 . 1 1 A 57 57 ILE C C 57 177.768 177.377 0.391 2
1 652 . 1 1 A 57 57 ILE CA C 57 62.722 63.776 -1.054 2
1 653 . 1 1 A 57 57 ILE CB C 57 36.507 36.925 -0.418 2
1 657 . 1 1 A 57 57 ILE N N 57 117.374 118.354 -0.980 2
1 658 . 1 1 A 58 58 GLY H H 58 6.565 7.683 -1.118 2
1 659 . 1 1 A 58 58 GLY HA2 H 58 3.985 3.878 0.107 2
1 660 . 1 1 A 58 58 GLY HA3 H 58 4.069 3.977 0.092 2
1 661 . 1 1 A 58 58 GLY C C 58 178.787 175.626 3.161 2
1 662 . 1 1 A 58 58 GLY CA C 58 43.958 45.598 -1.640 2
1 663 . 1 1 A 58 58 GLY N N 58 110.422 109.605 0.817 2
1 664 . 1 1 A 59 59 THR H H 59 7.629 7.869 -0.240 2
1 665 . 1 1 A 59 59 THR HA H 59 4.554 3.879 0.675 2
1 670 . 1 1 A 59 59 THR CA C 59 60.466 65.258 -4.792 2
1 671 . 1 1 A 59 59 THR CB C 59 71.728 68.295 3.433 2
1 672 . 1 1 A 59 59 THR N N 59 111.600 117.106 -5.506 2
1 673 . 1 1 A 60 60 ALA H H 60 9.010 7.363 1.647 2
1 674 . 1 1 A 60 60 ALA HA H 60 4.917 4.490 0.426 2
1 678 . 1 1 A 60 60 ALA C C 60 182.933 178.490 4.443 2
1 679 . 1 1 A 60 60 ALA CA C 60 54.222 53.010 1.212 2
1 680 . 1 1 A 60 60 ALA CB C 60 18.122 20.837 -2.715 2
1 681 . 1 1 A 60 60 ALA N N 60 125.890 120.304 5.586 2
1 682 . 1 1 A 61 61 ALA H H 61 8.368 8.001 0.367 2
1 683 . 1 1 A 61 61 ALA HA H 61 4.256 4.120 0.136 2
1 687 . 1 1 A 61 61 ALA C C 61 182.536 179.257 3.279 2
1 688 . 1 1 A 61 61 ALA CA C 61 54.071 54.971 -0.900 2
1 689 . 1 1 A 61 61 ALA CB C 61 18.122 18.227 -0.105 2
1 690 . 1 1 A 61 61 ALA N N 61 121.272 120.612 0.660 2
1 691 . 1 1 A 62 62 TYR H H 62 7.310 8.236 -0.926 2
1 692 . 1 1 A 62 62 TYR HA H 62 3.381 4.090 -0.709 2
1 697 . 1 1 A 62 62 TYR C C 62 177.889 177.369 0.520 2
1 698 . 1 1 A 62 62 TYR CA C 62 60.203 61.774 -1.571 2
1 699 . 1 1 A 62 62 TYR CB C 62 36.771 38.632 -1.861 2
1 702 . 1 1 A 62 62 TYR N N 62 122.066 120.635 1.431 2
1 703 . 1 1 A 63 63 THR H H 63 8.303 8.273 0.030 2
1 704 . 1 1 A 63 63 THR HA H 63 4.405 3.767 0.638 2
1 709 . 1 1 A 63 63 THR C C 63 178.200 177.204 0.996 2
1 710 . 1 1 A 63 63 THR CA C 63 65.547 65.541 0.006 2
1 711 . 1 1 A 63 63 THR CB C 63 67.470 68.729 -1.259 2
1 712 . 1 1 A 63 63 THR N N 63 117.473 114.175 3.298 2
1 713 . 1 1 A 64 64 ALA H H 64 7.931 7.613 0.318 2
1 714 . 1 1 A 64 64 ALA HA H 64 4.220 4.052 0.168 2
1 718 . 1 1 A 64 64 ALA C C 64 181.966 179.413 2.553 2
1 719 . 1 1 A 64 64 ALA CA C 64 53.966 54.867 -0.901 2
1 720 . 1 1 A 64 64 ALA CB C 64 17.432 18.382 -0.950 2
1 721 . 1 1 A 64 64 ALA N N 64 123.649 122.901 0.748 2
1 722 . 1 1 A 65 65 TRP H H 65 8.049 8.433 -0.384 2
1 723 . 1 1 A 65 65 TRP HA H 65 4.294 4.088 0.206 2
1 729 . 1 1 A 65 65 TRP C C 65 181.255 178.526 2.729 2
1 730 . 1 1 A 65 65 TRP CA C 65 61.458 61.390 0.068 2
1 731 . 1 1 A 65 65 TRP CB C 65 27.748 29.610 -1.862 2
1 734 . 1 1 A 65 65 TRP N N 65 121.372 120.272 1.100 2
1 736 . 1 1 A 66 66 LYS H H 66 9.624 8.482 1.143 2
1 737 . 1 1 A 66 66 LYS HA H 66 4.352 4.132 0.220 2
1 745 . 1 1 A 66 66 LYS C C 66 180.615 179.038 1.577 2
1 746 . 1 1 A 66 66 LYS CA C 66 56.030 59.577 -3.547 2
1 747 . 1 1 A 66 66 LYS CB C 66 30.842 31.874 -1.032 2
1 751 . 1 1 A 66 66 LYS N N 66 123.631 118.372 5.259 2
1 752 . 1 1 A 67 67 ALA H H 67 8.822 7.945 0.877 2
1 753 . 1 1 A 67 67 ALA HA H 67 4.027 4.005 0.022 2
1 757 . 1 1 A 67 67 ALA C C 67 180.899 179.741 1.158 2
1 758 . 1 1 A 67 67 ALA CA C 67 53.759 54.860 -1.101 2
1 759 . 1 1 A 67 67 ALA CB C 67 17.534 18.192 -0.658 2
1 760 . 1 1 A 67 67 ALA N N 67 120.803 122.176 -1.373 2
1 761 . 1 1 A 68 68 LYS H H 68 6.888 7.456 -0.568 2
1 762 . 1 1 A 68 68 LYS HA H 68 4.233 4.192 0.041 2
1 771 . 1 1 A 68 68 LYS C C 68 175.989 176.556 -0.567 2
1 772 . 1 1 A 68 68 LYS CA C 68 54.355 57.642 -3.287 2
1 773 . 1 1 A 68 68 LYS CB C 68 33.056 32.976 0.080 2
1 777 . 1 1 A 68 68 LYS N N 68 113.741 114.997 -1.256 2
1 778 . 1 1 A 69 69 HIS H H 69 7.111 7.856 -0.745 2
1 779 . 1 1 A 69 69 HIS HA H 69 4.768 4.913 -0.145 2
1 784 . 1 1 A 69 69 HIS CA C 69 52.654 53.669 -1.016 2
1 785 . 1 1 A 69 69 HIS CB C 69 27.381 32.600 -5.219 2
1 788 . 1 1 A 69 69 HIS N N 69 120.596 115.443 5.153 2
1 789 . 1 1 A 70 70 PRO HA H 70 4.230 4.379 -0.149 2
1 796 . 1 1 A 70 70 PRO C C 70 179.651 176.683 2.968 2
1 797 . 1 1 A 70 70 PRO CA C 70 64.184 65.438 -1.254 2
1 798 . 1 1 A 70 70 PRO CB C 70 30.854 31.775 -0.921 2
1 800 . 1 1 A 71 71 ASP H H 71 8.619 8.167 0.452 2
1 801 . 1 1 A 71 71 ASP HA H 71 4.917 4.973 -0.056 2
1 804 . 1 1 A 71 71 ASP C C 71 177.057 176.336 0.721 2
1 805 . 1 1 A 71 71 ASP CA C 71 52.975 52.867 0.108 2
1 806 . 1 1 A 71 71 ASP CB C 71 40.475 40.840 -0.365 2
1 807 . 1 1 A 71 71 ASP N N 71 116.294 117.106 -0.812 2
1 808 . 1 1 A 72 72 GLU H H 72 7.389 8.560 -1.171 2
1 809 . 1 1 A 72 72 GLU HA H 72 4.920 4.362 0.558 2
1 814 . 1 1 A 72 72 GLU C C 72 176.986 177.166 -0.180 2
1 815 . 1 1 A 72 72 GLU CA C 72 54.236 58.826 -4.590 2
1 816 . 1 1 A 72 72 GLU CB C 72 33.622 30.754 2.868 2
1 818 . 1 1 A 72 72 GLU N N 72 120.136 125.012 -4.876 2
1 819 . 1 1 A 73 73 LYS H H 73 9.155 7.741 1.414 2
1 820 . 1 1 A 73 73 LYS HA H 73 4.245 4.167 0.078 2
1 829 . 1 1 A 73 73 LYS C C 73 176.680 176.318 0.362 2
1 830 . 1 1 A 73 73 LYS CA C 73 57.999 56.001 1.998 2
1 831 . 1 1 A 73 73 LYS CB C 73 33.418 32.450 0.968 2
1 835 . 1 1 A 73 73 LYS N N 73 121.554 120.145 1.409 2
1 836 . 1 1 A 74 74 PHE H H 74 7.171 8.668 -1.497 2
1 837 . 1 1 A 74 74 PHE HA H 74 4.600 4.554 0.046 2
1 843 . 1 1 A 74 74 PHE CA C 74 55.159 57.218 -2.059 2
1 844 . 1 1 A 74 74 PHE CB C 74 40.451 40.282 0.170 2
1 848 . 1 1 A 74 74 PHE N N 74 111.944 127.132 -15.188 2
1 849 . 1 1 A 75 75 PRO HA H 75 4.640 4.297 0.343 2
1 856 . 1 1 A 75 75 PRO C C 75 176.914 174.772 2.142 2
1 857 . 1 1 A 75 75 PRO CA C 75 62.713 61.977 0.736 2
1 858 . 1 1 A 75 75 PRO CB C 75 30.073 28.858 1.216 2
1 860 . 1 1 A 76 76 ALA H H 76 9.039 8.549 0.490 2
1 861 . 1 1 A 76 76 ALA HA H 76 4.870 5.081 -0.211 2
1 865 . 1 1 A 76 76 ALA C C 76 179.974 177.078 2.896 2
1 866 . 1 1 A 76 76 ALA CA C 76 50.923 50.731 0.192 2
1 867 . 1 1 A 76 76 ALA CB C 76 18.130 20.833 -2.703 2
1 868 . 1 1 A 76 76 ALA N N 76 128.387 125.110 3.277 2
1 869 . 1 1 A 77 77 PHE H H 77 8.117 8.848 -0.731 2
1 870 . 1 1 A 77 77 PHE HA H 77 4.915 5.169 -0.254 2
1 875 . 1 1 A 77 77 PHE CA C 77 53.371 55.008 -1.637 2
1 876 . 1 1 A 77 77 PHE CB C 77 36.523 40.825 -4.302 2
1 878 . 1 1 A 77 77 PHE N N 77 125.115 119.329 5.786 2
1 879 . 1 1 A 78 78 PRO HA H 78 4.245 4.804 -0.559 2
1 886 . 1 1 A 78 78 PRO C C 78 176.487 176.005 0.482 2
1 887 . 1 1 A 78 78 PRO CA C 78 62.480 62.328 0.152 2
1 888 . 1 1 A 78 78 PRO CB C 78 30.324 31.157 -0.833 2
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