data_15038_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15038
_Entry.PDB_ID 2OFN
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 THR HA H 2 4.479 4.262 0.217 1
1 6 . 1 1 1 A 2 2 THR C C 2 174.348 174.407 -0.059 1
1 7 . 1 1 1 A 2 2 THR CA C 2 61.838 63.727 -1.889 1
1 8 . 1 1 1 A 2 2 THR CB C 2 69.919 68.565 1.354 1
1 10 . 1 1 1 A 3 3 THR H H 3 8.289 8.694 -0.405 1
1 11 . 1 1 1 A 3 3 THR HA H 3 4.282 4.344 -0.062 1
1 16 . 1 1 1 A 3 3 THR C C 3 174.404 174.167 0.237 1
1 17 . 1 1 1 A 3 3 THR CA C 3 62.140 63.703 -1.563 1
1 18 . 1 1 1 A 3 3 THR CB C 3 69.658 70.133 -0.475 1
1 20 . 1 1 1 A 3 3 THR N N 3 116.640 121.301 -4.661 1
1 21 . 1 1 1 A 4 4 GLU H H 4 8.567 7.849 0.718 1
1 22 . 1 1 1 A 4 4 GLU HA H 4 4.156 4.486 -0.330 1
1 27 . 1 1 1 A 4 4 GLU C C 4 176.216 174.926 1.290 1
1 28 . 1 1 1 A 4 4 GLU CA C 4 56.929 55.120 1.809 1
1 29 . 1 1 1 A 4 4 GLU CB C 4 29.821 29.516 0.305 1
1 31 . 1 1 1 A 4 4 GLU N N 4 123.469 119.170 4.299 1
1 32 . 1 1 1 A 5 5 GLN H H 5 8.222 8.372 -0.150 1
1 33 . 1 1 1 A 5 5 GLN HA H 5 4.167 4.246 -0.079 1
1 40 . 1 1 1 A 5 5 GLN C C 5 175.216 175.174 0.042 1
1 41 . 1 1 1 A 5 5 GLN CA C 5 55.674 56.040 -0.366 1
1 42 . 1 1 1 A 5 5 GLN CB C 5 29.553 29.043 0.510 1
1 45 . 1 1 1 A 5 5 GLN N N 5 120.797 123.709 -2.912 1
1 47 . 1 1 1 A 6 6 GLU H H 6 8.171 8.502 -0.331 1
1 48 . 1 1 1 A 6 6 GLU HA H 6 4.080 4.214 -0.134 1
1 53 . 1 1 1 A 6 6 GLU C C 6 175.870 175.821 0.049 1
1 54 . 1 1 1 A 6 6 GLU CA C 6 56.400 55.538 0.862 1
1 55 . 1 1 1 A 6 6 GLU CB C 6 30.335 28.026 2.309 1
1 57 . 1 1 1 A 6 6 GLU N N 6 122.100 123.385 -1.285 1
1 58 . 1 1 1 A 7 7 PHE H H 7 8.051 7.649 0.402 1
1 59 . 1 1 1 A 7 7 PHE HA H 7 4.710 5.381 -0.671 1
1 67 . 1 1 1 A 7 7 PHE C C 7 175.461 173.744 1.717 1
1 68 . 1 1 1 A 7 7 PHE CA C 7 56.825 55.326 1.499 1
1 69 . 1 1 1 A 7 7 PHE CB C 7 39.812 41.584 -1.772 1
1 70 . 1 1 1 A 7 7 PHE N N 7 120.500 119.877 0.623 1
1 71 . 1 1 1 A 8 8 GLU H H 8 8.626 9.051 -0.425 1
1 72 . 1 1 1 A 8 8 GLU HA H 8 4.193 4.900 -0.707 1
1 77 . 1 1 1 A 8 8 GLU C C 8 176.141 175.783 0.358 1
1 78 . 1 1 1 A 8 8 GLU CA C 8 56.932 54.939 1.993 1
1 79 . 1 1 1 A 8 8 GLU CB C 8 30.794 31.538 -0.744 1
1 81 . 1 1 1 A 8 8 GLU N N 8 123.469 120.911 2.558 1
1 82 . 1 1 1 A 9 9 LYS H H 9 8.396 8.635 -0.239 1
1 83 . 1 1 1 A 9 9 LYS HA H 9 5.100 4.811 0.289 1
1 92 . 1 1 1 A 9 9 LYS C C 9 176.168 175.790 0.378 1
1 93 . 1 1 1 A 9 9 LYS CA C 9 55.428 54.833 0.595 1
1 94 . 1 1 1 A 9 9 LYS CB C 9 34.214 34.449 -0.235 1
1 98 . 1 1 1 A 9 9 LYS N N 9 124.954 124.770 0.184 1
1 99 . 1 1 1 A 10 10 VAL H H 10 9.445 9.170 0.275 1
1 100 . 1 1 1 A 10 10 VAL HA H 10 4.278 4.501 -0.223 1
1 108 . 1 1 1 A 10 10 VAL C C 10 174.967 174.851 0.116 1
1 109 . 1 1 1 A 10 10 VAL CA C 10 60.951 61.390 -0.439 1
1 110 . 1 1 1 A 10 10 VAL CB C 10 34.681 31.907 2.774 1
1 113 . 1 1 1 A 10 10 VAL N N 10 124.360 122.424 1.936 1
1 114 . 1 1 1 A 11 11 GLU H H 11 9.021 8.855 0.166 1
1 115 . 1 1 1 A 11 11 GLU HA H 11 4.369 4.671 -0.302 1
1 120 . 1 1 1 A 11 11 GLU C C 11 174.797 176.464 -1.667 1
1 121 . 1 1 1 A 11 11 GLU CA C 11 56.728 55.542 1.186 1
1 122 . 1 1 1 A 11 11 GLU CB C 11 28.655 29.470 -0.815 1
1 124 . 1 1 1 A 11 11 GLU N N 11 127.924 126.584 1.340 1
1 125 . 1 1 1 A 12 12 LEU H H 12 8.396 8.598 -0.202 1
1 126 . 1 1 1 A 12 12 LEU HA H 12 4.311 3.860 0.451 1
1 136 . 1 1 1 A 12 12 LEU C C 12 176.600 175.483 1.117 1
1 137 . 1 1 1 A 12 12 LEU CA C 12 55.292 55.720 -0.428 1
1 138 . 1 1 1 A 12 12 LEU CB C 12 42.624 40.511 2.113 1
1 142 . 1 1 1 A 12 12 LEU N N 12 124.954 122.626 2.328 1
1 143 . 1 1 1 A 13 13 THR H H 13 7.328 7.449 -0.121 1
1 144 . 1 1 1 A 13 13 THR HA H 13 4.530 4.372 0.158 1
1 149 . 1 1 1 A 13 13 THR C C 13 175.180 175.990 -0.810 1
1 150 . 1 1 1 A 13 13 THR CA C 13 59.603 62.334 -2.731 1
1 151 . 1 1 1 A 13 13 THR CB C 13 70.742 69.289 1.453 1
1 153 . 1 1 1 A 13 13 THR N N 13 106.841 112.676 -5.835 1
1 154 . 1 1 1 A 14 14 ALA H H 14 8.689 8.838 -0.149 1
1 155 . 1 1 1 A 14 14 ALA HA H 14 4.247 4.112 0.135 1
1 159 . 1 1 1 A 14 14 ALA C C 14 177.522 177.630 -0.108 1
1 160 . 1 1 1 A 14 14 ALA CA C 14 53.875 53.578 0.297 1
1 161 . 1 1 1 A 14 14 ALA CB C 14 17.920 18.796 -0.876 1
1 162 . 1 1 1 A 14 14 ALA N N 14 123.733 128.799 -5.066 1
1 163 . 1 1 1 A 15 15 ASP H H 15 7.516 7.821 -0.305 1
1 164 . 1 1 1 A 15 15 ASP HA H 15 4.518 4.777 -0.259 1
1 167 . 1 1 1 A 15 15 ASP C C 15 177.402 176.279 1.123 1
1 168 . 1 1 1 A 15 15 ASP CA C 15 52.635 53.644 -1.009 1
1 169 . 1 1 1 A 15 15 ASP CB C 15 40.912 41.223 -0.311 1
1 170 . 1 1 1 A 15 15 ASP N N 15 113.967 117.505 -3.538 1
1 171 . 1 1 1 A 16 16 GLY H H 16 7.986 7.408 0.578 1
1 172 . 1 1 1 A 16 16 GLY HA2 H 16 4.080 4.004 0.076 1
1 173 . 1 1 1 A 16 16 GLY HA3 H 16 3.529 4.015 -0.486 1
1 174 . 1 1 1 A 16 16 GLY C C 16 175.233 175.294 -0.061 1
1 175 . 1 1 1 A 16 16 GLY CA C 16 45.798 44.958 0.840 1
1 176 . 1 1 1 A 16 16 GLY N N 16 108.919 106.926 1.993 1
1 177 . 1 1 1 A 17 17 GLY H H 17 8.681 8.656 0.025 1
1 178 . 1 1 1 A 17 17 GLY HA2 H 17 4.513 3.880 0.633 1
1 179 . 1 1 1 A 17 17 GLY HA3 H 17 4.513 3.907 0.606 1
1 180 . 1 1 1 A 17 17 GLY C C 17 172.684 174.002 -1.318 1
1 181 . 1 1 1 A 17 17 GLY CA C 17 46.672 46.975 -0.303 1
1 182 . 1 1 1 A 17 17 GLY N N 17 108.663 106.992 1.671 1
1 183 . 1 1 1 A 18 18 VAL H H 18 6.903 7.458 -0.555 1
1 184 . 1 1 1 A 18 18 VAL HA H 18 4.855 3.997 0.858 1
1 192 . 1 1 1 A 18 18 VAL C C 18 174.737 174.365 0.372 1
1 193 . 1 1 1 A 18 18 VAL CA C 18 62.035 60.158 1.877 1
1 194 . 1 1 1 A 18 18 VAL CB C 18 33.315 35.193 -1.878 1
1 197 . 1 1 1 A 18 18 VAL N N 18 117.234 118.409 -1.175 1
1 198 . 1 1 1 A 19 19 ILE H H 19 8.243 8.066 0.177 1
1 199 . 1 1 1 A 19 19 ILE HA H 19 4.665 5.010 -0.345 1
1 209 . 1 1 1 A 19 19 ILE C C 19 174.360 175.319 -0.959 1
1 210 . 1 1 1 A 19 19 ILE CA C 19 60.736 60.334 0.402 1
1 211 . 1 1 1 A 19 19 ILE CB C 19 41.856 37.985 3.871 1
1 215 . 1 1 1 A 19 19 ILE N N 19 126.439 126.995 -0.556 1
1 216 . 1 1 1 A 20 20 LYS H H 20 9.345 8.645 0.700 1
1 217 . 1 1 1 A 20 20 LYS HA H 20 5.296 5.036 0.260 1
1 226 . 1 1 1 A 20 20 LYS C C 20 173.618 174.548 -0.930 1
1 227 . 1 1 1 A 20 20 LYS CA C 20 54.842 54.467 0.375 1
1 228 . 1 1 1 A 20 20 LYS CB C 20 36.261 36.050 0.211 1
1 232 . 1 1 1 A 20 20 LYS N N 20 129.408 124.832 4.576 1
1 233 . 1 1 1 A 21 21 THR H H 21 9.597 9.399 0.198 1
1 234 . 1 1 1 A 21 21 THR HA H 21 4.923 4.698 0.225 1
1 239 . 1 1 1 A 21 21 THR C C 21 174.648 173.396 1.252 1
1 240 . 1 1 1 A 21 21 THR CA C 21 61.703 61.825 -0.122 1
1 241 . 1 1 1 A 21 21 THR CB C 21 70.230 70.191 0.039 1
1 243 . 1 1 1 A 21 21 THR N N 21 123.469 116.731 6.738 1
1 244 . 1 1 1 A 22 22 ILE H H 22 9.248 8.249 0.999 1
1 245 . 1 1 1 A 22 22 ILE HA H 22 3.637 4.297 -0.660 1
1 255 . 1 1 1 A 22 22 ILE C C 22 174.348 175.029 -0.681 1
1 256 . 1 1 1 A 22 22 ILE CA C 22 64.258 61.477 2.781 1
1 257 . 1 1 1 A 22 22 ILE CB C 22 37.551 38.138 -0.587 1
1 261 . 1 1 1 A 22 22 ILE N N 22 128.517 127.143 1.374 1
1 262 . 1 1 1 A 23 23 LEU H H 23 8.498 8.676 -0.178 1
1 263 . 1 1 1 A 23 23 LEU HA H 23 4.180 4.487 -0.307 1
1 273 . 1 1 1 A 23 23 LEU C C 23 177.521 177.005 0.516 1
1 274 . 1 1 1 A 23 23 LEU CA C 23 55.460 55.989 -0.529 1
1 275 . 1 1 1 A 23 23 LEU CB C 23 42.239 42.804 -0.565 1
1 279 . 1 1 1 A 23 23 LEU N N 23 128.517 130.950 -2.433 1
1 280 . 1 1 1 A 24 24 LYS H H 24 8.020 8.109 -0.089 1
1 281 . 1 1 1 A 24 24 LYS HA H 24 4.392 4.916 -0.524 1
1 290 . 1 1 1 A 24 24 LYS C C 24 174.465 174.569 -0.104 1
1 291 . 1 1 1 A 24 24 LYS CA C 24 55.848 54.815 1.033 1
1 292 . 1 1 1 A 24 24 LYS CB C 24 35.692 36.094 -0.402 1
1 296 . 1 1 1 A 24 24 LYS N N 24 120.797 117.302 3.495 1
1 297 . 1 1 1 A 25 25 LYS H H 25 8.657 8.870 -0.213 1
1 298 . 1 1 1 A 25 25 LYS HA H 25 4.178 4.952 -0.774 1
1 307 . 1 1 1 A 25 25 LYS C C 25 177.616 176.931 0.685 1
1 308 . 1 1 1 A 25 25 LYS CA C 25 57.218 54.460 2.758 1
1 309 . 1 1 1 A 25 25 LYS CB C 25 32.846 35.004 -2.158 1
1 313 . 1 1 1 A 25 25 LYS N N 25 126.439 124.980 1.459 1
1 314 . 1 1 1 A 26 26 GLY H H 26 9.728 9.249 0.479 1
1 315 . 1 1 1 A 26 26 GLY HA2 H 26 3.408 4.016 -0.608 1
1 316 . 1 1 1 A 26 26 GLY HA3 H 26 4.120 4.023 0.097 1
1 317 . 1 1 1 A 26 26 GLY C C 26 173.278 175.162 -1.884 1
1 318 . 1 1 1 A 26 26 GLY CA C 26 43.709 45.834 -2.125 1
1 319 . 1 1 1 A 26 26 GLY N N 26 110.404 110.870 -0.466 1
1 320 . 1 1 1 A 27 27 ASP H H 27 8.550 8.899 -0.349 1
1 321 . 1 1 1 A 27 27 ASP HA H 27 4.401 4.484 -0.083 1
1 324 . 1 1 1 A 27 27 ASP C C 27 175.993 175.629 0.364 1
1 325 . 1 1 1 A 27 27 ASP CA C 27 55.105 56.874 -1.769 1
1 326 . 1 1 1 A 27 27 ASP CB C 27 41.688 41.435 0.253 1
1 327 . 1 1 1 A 27 27 ASP N N 27 121.391 124.865 -3.474 1
1 328 . 1 1 1 A 28 28 GLU H H 28 8.419 7.853 0.566 1
1 329 . 1 1 1 A 28 28 GLU HA H 28 4.063 4.691 -0.628 1
1 334 . 1 1 1 A 28 28 GLU C C 28 176.146 174.602 1.544 1
1 335 . 1 1 1 A 28 28 GLU CA C 28 57.076 55.865 1.211 1
1 336 . 1 1 1 A 28 28 GLU CB C 28 30.774 33.218 -2.444 1
1 338 . 1 1 1 A 28 28 GLU N N 28 120.203 117.878 2.325 1
1 339 . 1 1 1 A 29 29 GLY H H 29 8.364 8.460 -0.096 1
1 340 . 1 1 1 A 29 29 GLY HA2 H 29 4.758 4.183 0.575 1
1 341 . 1 1 1 A 29 29 GLY HA3 H 29 4.584 4.183 0.401 1
1 342 . 1 1 1 A 29 29 GLY C C 29 175.976 174.486 1.490 1
1 343 . 1 1 1 A 29 29 GLY CA C 29 44.686 45.735 -1.049 1
1 344 . 1 1 1 A 29 29 GLY N N 29 110.404 112.063 -1.659 1
1 345 . 1 1 1 A 30 30 GLU H H 30 8.867 8.953 -0.086 1
1 346 . 1 1 1 A 30 30 GLU HA H 30 3.749 3.980 -0.231 1
1 351 . 1 1 1 A 30 30 GLU C C 30 177.872 178.137 -0.265 1
1 352 . 1 1 1 A 30 30 GLU CA C 30 59.045 58.867 0.178 1
1 353 . 1 1 1 A 30 30 GLU CB C 30 29.030 29.662 -0.632 1
1 355 . 1 1 1 A 30 30 GLU N N 30 125.251 124.198 1.053 1
1 356 . 1 1 1 A 31 31 GLU H H 31 9.842 8.300 1.542 1
1 357 . 1 1 1 A 31 31 GLU HA H 31 4.312 4.328 -0.016 1
1 362 . 1 1 1 A 31 31 GLU C C 31 176.330 176.460 -0.130 1
1 363 . 1 1 1 A 31 31 GLU CA C 31 57.437 57.702 -0.265 1
1 364 . 1 1 1 A 31 31 GLU CB C 31 28.040 29.436 -1.396 1
1 366 . 1 1 1 A 31 31 GLU N N 31 118.421 116.017 2.404 1
1 367 . 1 1 1 A 32 32 ASN H H 32 7.731 7.827 -0.096 1
1 368 . 1 1 1 A 32 32 ASN HA H 32 5.127 5.303 -0.176 1
1 373 . 1 1 1 A 32 32 ASN C C 32 172.750 173.662 -0.912 1
1 374 . 1 1 1 A 32 32 ASN CA C 32 54.111 52.713 1.398 1
1 375 . 1 1 1 A 32 32 ASN CB C 32 40.161 36.897 3.264 1
1 376 . 1 1 1 A 32 32 ASN N N 32 116.937 118.267 -1.330 1
1 378 . 1 1 1 A 33 33 ILE H H 33 7.105 7.956 -0.851 1
1 379 . 1 1 1 A 33 33 ILE HA H 33 4.793 4.580 0.213 1
1 389 . 1 1 1 A 33 33 ILE CA C 33 57.895 58.082 -0.187 1
1 390 . 1 1 1 A 33 33 ILE CB C 33 40.609 40.587 0.022 1
1 394 . 1 1 1 A 33 33 ILE N N 33 121.985 125.135 -3.150 1
1 395 . 1 1 1 A 34 34 PRO HA H 34 4.065 4.963 -0.898 1
1 402 . 1 1 1 A 34 34 PRO C C 34 173.754 176.043 -2.289 1
1 403 . 1 1 1 A 34 34 PRO CA C 34 61.962 62.634 -0.672 1
1 404 . 1 1 1 A 34 34 PRO CB C 34 31.877 31.652 0.225 1
1 407 . 1 1 1 A 35 35 LYS H H 35 7.101 8.888 -1.787 1
1 408 . 1 1 1 A 35 35 LYS HA H 35 4.377 4.907 -0.530 1
1 417 . 1 1 1 A 35 35 LYS C C 35 175.712 176.121 -0.409 1
1 418 . 1 1 1 A 35 35 LYS CA C 35 53.404 54.761 -1.357 1
1 419 . 1 1 1 A 35 35 LYS CB C 35 35.229 35.444 -0.215 1
1 423 . 1 1 1 A 35 35 LYS N N 35 116.046 123.343 -7.297 1
1 424 . 1 1 1 A 36 36 LYS H H 36 8.144 8.063 0.081 1
1 425 . 1 1 1 A 36 36 LYS HA H 36 3.515 4.307 -0.792 1
1 434 . 1 1 1 A 36 36 LYS C C 36 176.774 176.919 -0.145 1
1 435 . 1 1 1 A 36 36 LYS CA C 36 58.608 56.317 2.291 1
1 436 . 1 1 1 A 36 36 LYS CB C 36 32.089 33.229 -1.140 1
1 440 . 1 1 1 A 36 36 LYS N N 36 120.797 121.151 -0.354 1
1 441 . 1 1 1 A 37 37 GLY H H 37 9.113 8.946 0.167 1
1 442 . 1 1 1 A 37 37 GLY HA2 H 37 3.494 4.062 -0.568 1
1 443 . 1 1 1 A 37 37 GLY HA3 H 37 4.330 4.181 0.149 1
1 444 . 1 1 1 A 37 37 GLY C C 37 175.329 173.584 1.745 1
1 445 . 1 1 1 A 37 37 GLY CA C 37 44.853 45.349 -0.496 1
1 446 . 1 1 1 A 37 37 GLY N N 37 113.967 111.401 2.566 1
1 447 . 1 1 1 A 38 38 ASN H H 38 8.447 8.133 0.314 1
1 448 . 1 1 1 A 38 38 ASN HA H 38 4.663 5.358 -0.695 1
1 453 . 1 1 1 A 38 38 ASN C C 38 174.878 173.819 1.059 1
1 454 . 1 1 1 A 38 38 ASN CA C 38 53.557 51.775 1.782 1
1 455 . 1 1 1 A 38 38 ASN CB C 38 39.155 41.981 -2.826 1
1 457 . 1 1 1 A 38 38 ASN N N 38 117.828 118.272 -0.444 1
1 459 . 1 1 1 A 39 39 GLU H H 39 8.331 8.623 -0.292 1
1 460 . 1 1 1 A 39 39 GLU HA H 39 4.254 4.940 -0.686 1
1 465 . 1 1 1 A 39 39 GLU C C 39 175.656 176.474 -0.818 1
1 466 . 1 1 1 A 39 39 GLU CA C 39 55.804 55.936 -0.132 1
1 467 . 1 1 1 A 39 39 GLU CB C 39 31.464 30.848 0.616 1
1 469 . 1 1 1 A 39 39 GLU N N 39 121.094 120.764 0.330 1
1 470 . 1 1 1 A 40 40 VAL H H 40 9.138 9.024 0.114 1
1 471 . 1 1 1 A 40 40 VAL HA H 40 4.699 5.132 -0.433 1
1 479 . 1 1 1 A 40 40 VAL C C 40 173.240 174.668 -1.428 1
1 480 . 1 1 1 A 40 40 VAL CA C 40 59.559 59.641 -0.082 1
1 481 . 1 1 1 A 40 40 VAL CB C 40 32.896 35.879 -2.983 1
1 484 . 1 1 1 A 40 40 VAL N N 40 125.845 120.716 5.129 1
1 485 . 1 1 1 A 41 41 THR H H 41 8.328 8.931 -0.603 1
1 486 . 1 1 1 A 41 41 THR HA H 41 4.982 5.012 -0.030 1
1 491 . 1 1 1 A 41 41 THR C C 41 174.455 173.917 0.538 1
1 492 . 1 1 1 A 41 41 THR CA C 41 61.964 61.740 0.224 1
1 493 . 1 1 1 A 41 41 THR CB C 41 69.623 70.870 -1.247 1
1 495 . 1 1 1 A 41 41 THR N N 41 117.531 117.132 0.399 1
1 496 . 1 1 1 A 42 42 VAL H H 42 9.581 8.806 0.775 1
1 497 . 1 1 1 A 42 42 VAL HA H 42 5.669 5.211 0.458 1
1 505 . 1 1 1 A 42 42 VAL C C 42 174.919 173.380 1.539 1
1 506 . 1 1 1 A 42 42 VAL CA C 42 57.930 58.671 -0.741 1
1 507 . 1 1 1 A 42 42 VAL CB C 42 35.321 35.618 -0.297 1
1 510 . 1 1 1 A 42 42 VAL N N 42 117.828 119.136 -1.308 1
1 511 . 1 1 1 A 43 43 HIS H H 43 8.333 8.858 -0.525 1
1 512 . 1 1 1 A 43 43 HIS HA H 43 5.407 5.223 0.184 1
1 515 . 1 1 1 A 43 43 HIS C C 43 176.136 173.451 2.685 1
1 516 . 1 1 1 A 43 43 HIS CA C 43 54.147 54.441 -0.294 1
1 517 . 1 1 1 A 43 43 HIS CB C 43 35.339 33.398 1.941 1
1 518 . 1 1 1 A 43 43 HIS N N 43 119.906 123.001 -3.095 1
1 519 . 1 1 1 A 44 44 TYR H H 44 9.622 8.090 1.532 1
1 520 . 1 1 1 A 44 44 TYR HA H 44 6.247 6.069 0.178 1
1 527 . 1 1 1 A 44 44 TYR C C 44 172.857 173.587 -0.730 1
1 528 . 1 1 1 A 44 44 TYR CA C 44 56.304 55.138 1.166 1
1 529 . 1 1 1 A 44 44 TYR CB C 44 43.537 42.244 1.293 1
1 530 . 1 1 1 A 44 44 TYR N N 44 117.234 120.851 -3.617 1
1 531 . 1 1 1 A 45 45 VAL H H 45 8.735 8.901 -0.166 1
1 532 . 1 1 1 A 45 45 VAL HA H 45 4.520 4.771 -0.251 1
1 540 . 1 1 1 A 45 45 VAL C C 45 175.200 174.788 0.412 1
1 541 . 1 1 1 A 45 45 VAL CA C 45 62.212 60.521 1.691 1
1 542 . 1 1 1 A 45 45 VAL CB C 45 35.550 35.226 0.324 1
1 545 . 1 1 1 A 45 45 VAL N N 45 118.125 119.408 -1.283 1
1 546 . 1 1 1 A 46 46 GLY H H 46 9.126 8.281 0.845 1
1 547 . 1 1 1 A 46 46 GLY HA2 H 46 4.539 4.174 0.365 1
1 548 . 1 1 1 A 46 46 GLY HA3 H 46 4.506 4.196 0.310 1
1 549 . 1 1 1 A 46 46 GLY C C 46 170.771 171.467 -0.696 1
1 550 . 1 1 1 A 46 46 GLY CA C 46 45.601 45.776 -0.175 1
1 551 . 1 1 1 A 46 46 GLY N N 46 114.858 111.479 3.379 1
1 552 . 1 1 1 A 47 47 LYS H H 47 9.121 7.964 1.157 1
1 553 . 1 1 1 A 47 47 LYS HA H 47 5.176 4.263 0.913 1
1 562 . 1 1 1 A 47 47 LYS C C 47 175.830 173.690 2.140 1
1 563 . 1 1 1 A 47 47 LYS CA C 47 53.937 54.240 -0.303 1
1 564 . 1 1 1 A 47 47 LYS CB C 47 37.021 35.659 1.362 1
1 568 . 1 1 1 A 47 47 LYS N N 47 123.469 118.786 4.683 1
1 569 . 1 1 1 A 48 48 LEU H H 48 8.016 9.295 -1.279 1
1 570 . 1 1 1 A 48 48 LEU HA H 48 4.692 4.581 0.111 1
1 580 . 1 1 1 A 48 48 LEU C C 48 178.031 176.968 1.063 1
1 581 . 1 1 1 A 48 48 LEU CA C 48 54.231 54.182 0.049 1
1 582 . 1 1 1 A 48 48 LEU CB C 48 41.678 42.012 -0.334 1
1 586 . 1 1 1 A 48 48 LEU N N 48 121.391 122.392 -1.001 1
1 587 . 1 1 1 A 49 49 GLU H H 49 8.085 8.634 -0.549 1
1 588 . 1 1 1 A 49 49 GLU HA H 49 3.835 3.945 -0.110 1
1 593 . 1 1 1 A 49 49 GLU C C 49 178.118 178.006 0.112 1
1 594 . 1 1 1 A 49 49 GLU CA C 49 59.974 58.879 1.095 1
1 595 . 1 1 1 A 49 49 GLU CB C 49 30.322 29.434 0.888 1
1 597 . 1 1 1 A 49 49 GLU N N 49 124.954 127.178 -2.224 1
1 598 . 1 1 1 A 50 50 SER H H 50 9.220 8.030 1.190 1
1 599 . 1 1 1 A 50 50 SER HA H 50 4.154 4.261 -0.107 1
1 602 . 1 1 1 A 50 50 SER C C 50 176.751 175.588 1.163 1
1 603 . 1 1 1 A 50 50 SER CA C 50 60.230 61.017 -0.787 1
1 604 . 1 1 1 A 50 50 SER CB C 50 62.229 63.308 -1.079 1
1 605 . 1 1 1 A 50 50 SER N N 50 112.186 115.510 -3.324 1
1 606 . 1 1 1 A 51 51 THR H H 51 6.784 7.737 -0.953 1
1 607 . 1 1 1 A 51 51 THR HA H 51 4.520 4.633 -0.113 1
1 612 . 1 1 1 A 51 51 THR C C 51 176.342 175.008 1.334 1
1 613 . 1 1 1 A 51 51 THR CA C 51 60.760 61.797 -1.037 1
1 614 . 1 1 1 A 51 51 THR CB C 51 71.046 70.258 0.788 1
1 616 . 1 1 1 A 51 51 THR N N 51 105.653 113.070 -7.417 1
1 617 . 1 1 1 A 52 52 GLY H H 52 8.296 8.164 0.132 1
1 618 . 1 1 1 A 52 52 GLY HA2 H 52 3.680 3.931 -0.251 1
1 619 . 1 1 1 A 52 52 GLY HA3 H 52 4.096 3.936 0.160 1
1 620 . 1 1 1 A 52 52 GLY C C 52 173.336 174.661 -1.325 1
1 621 . 1 1 1 A 52 52 GLY CA C 52 45.711 45.841 -0.130 1
1 622 . 1 1 1 A 52 52 GLY N N 52 112.483 110.997 1.486 1
1 623 . 1 1 1 A 53 53 LYS H H 53 7.479 7.792 -0.313 1
1 624 . 1 1 1 A 53 53 LYS HA H 53 4.218 4.395 -0.177 1
1 633 . 1 1 1 A 53 53 LYS C C 53 176.513 175.840 0.673 1
1 634 . 1 1 1 A 53 53 LYS CA C 53 56.217 55.761 0.456 1
1 635 . 1 1 1 A 53 53 LYS CB C 53 33.430 32.401 1.029 1
1 639 . 1 1 1 A 53 53 LYS N N 53 119.609 120.359 -0.750 1
1 640 . 1 1 1 A 54 54 VAL H H 54 8.511 8.318 0.193 1
1 641 . 1 1 1 A 54 54 VAL HA H 54 4.244 4.187 0.057 1
1 649 . 1 1 1 A 54 54 VAL C C 54 176.879 176.466 0.413 1
1 650 . 1 1 1 A 54 54 VAL CA C 54 62.409 62.596 -0.187 1
1 651 . 1 1 1 A 54 54 VAL CB C 54 32.697 33.026 -0.329 1
1 654 . 1 1 1 A 54 54 VAL N N 54 126.109 126.769 -0.660 1
1 655 . 1 1 1 A 55 55 PHE H H 55 8.325 8.401 -0.076 1
1 656 . 1 1 1 A 55 55 PHE HA H 55 5.036 4.822 0.214 1
1 664 . 1 1 1 A 55 55 PHE C C 55 174.856 175.285 -0.429 1
1 665 . 1 1 1 A 55 55 PHE CA C 55 55.758 58.688 -2.930 1
1 666 . 1 1 1 A 55 55 PHE CB C 55 40.399 39.860 0.539 1
1 667 . 1 1 1 A 55 55 PHE N N 55 124.063 127.175 -3.112 1
1 668 . 1 1 1 A 56 56 ASP H H 56 6.884 9.112 -2.228 1
1 669 . 1 1 1 A 56 56 ASP HA H 56 4.801 5.474 -0.673 1
1 672 . 1 1 1 A 56 56 ASP C C 56 173.688 173.852 -0.164 1
1 673 . 1 1 1 A 56 56 ASP CA C 56 54.956 53.398 1.558 1
1 674 . 1 1 1 A 56 56 ASP CB C 56 43.616 41.815 1.801 1
1 675 . 1 1 1 A 56 56 ASP N N 56 120.500 122.993 -2.493 1
1 676 . 1 1 1 A 57 57 SER H H 57 8.038 8.702 -0.664 1
1 677 . 1 1 1 A 57 57 SER HA H 57 4.796 4.853 -0.057 1
1 680 . 1 1 1 A 57 57 SER C C 57 174.997 174.268 0.729 1
1 681 . 1 1 1 A 57 57 SER CA C 57 55.792 55.943 -0.151 1
1 682 . 1 1 1 A 57 57 SER CB C 57 64.961 65.951 -0.990 1
1 683 . 1 1 1 A 57 57 SER N N 57 118.421 121.026 -2.605 1
1 684 . 1 1 1 A 58 58 SER H H 58 8.429 8.834 -0.405 1
1 685 . 1 1 1 A 58 58 SER HA H 58 4.080 4.121 -0.041 1
1 688 . 1 1 1 A 58 58 SER C C 58 177.399 175.266 2.133 1
1 689 . 1 1 1 A 58 58 SER CA C 58 61.499 61.185 0.314 1
1 690 . 1 1 1 A 58 58 SER CB C 58 65.069 62.852 2.217 1
1 691 . 1 1 1 A 58 58 SER N N 58 123.766 119.242 4.524 1
1 692 . 1 1 1 A 59 59 PHE H H 59 7.276 7.399 -0.123 1
1 693 . 1 1 1 A 59 59 PHE HA H 59 3.851 4.422 -0.571 1
1 701 . 1 1 1 A 59 59 PHE C C 59 178.929 178.169 0.760 1
1 702 . 1 1 1 A 59 59 PHE CA C 59 61.010 59.810 1.200 1
1 703 . 1 1 1 A 59 59 PHE CB C 59 38.129 39.837 -1.708 1
1 704 . 1 1 1 A 59 59 PHE N N 59 121.845 118.913 2.932 1
1 705 . 1 1 1 A 60 60 ASP H H 60 7.534 8.783 -1.249 1
1 706 . 1 1 1 A 60 60 ASP HA H 60 4.343 4.349 -0.006 1
1 709 . 1 1 1 A 60 60 ASP C C 60 177.295 178.071 -0.776 1
1 710 . 1 1 1 A 60 60 ASP CA C 60 56.921 56.904 0.017 1
1 711 . 1 1 1 A 60 60 ASP CB C 60 40.298 40.087 0.211 1
1 712 . 1 1 1 A 60 60 ASP N N 60 119.015 119.983 -0.968 1
1 713 . 1 1 1 A 61 61 ARG H H 61 7.224 8.383 -1.159 1
1 714 . 1 1 1 A 61 61 ARG HA H 61 4.378 4.195 0.183 1
1 721 . 1 1 1 A 61 61 ARG C C 61 175.798 177.127 -1.329 1
1 722 . 1 1 1 A 61 61 ARG CA C 61 55.209 57.812 -2.603 1
1 723 . 1 1 1 A 61 61 ARG CB C 61 32.610 30.173 2.437 1
1 726 . 1 1 1 A 61 61 ARG N N 61 115.452 118.557 -3.105 1
1 727 . 1 1 1 A 62 62 ASN H H 62 7.946 8.667 -0.721 1
1 728 . 1 1 1 A 62 62 ASN HA H 62 4.392 5.062 -0.670 1
1 733 . 1 1 1 A 62 62 ASN C C 62 173.776 174.566 -0.790 1
1 734 . 1 1 1 A 62 62 ASN CA C 62 54.269 54.746 -0.477 1
1 735 . 1 1 1 A 62 62 ASN CB C 62 38.597 40.758 -2.161 1
1 737 . 1 1 1 A 62 62 ASN N N 62 115.196 117.703 -2.507 1
1 739 . 1 1 1 A 63 63 VAL H H 63 7.278 8.291 -1.013 1
1 740 . 1 1 1 A 63 63 VAL HA H 63 4.628 4.508 0.120 1
1 748 . 1 1 1 A 63 63 VAL CA C 63 62.601 60.050 2.551 1
1 749 . 1 1 1 A 63 63 VAL CB C 63 35.186 33.188 1.998 1
1 752 . 1 1 1 A 63 63 VAL N N 63 115.155 118.928 -3.773 1
1 753 . 1 1 1 A 64 64 PRO HA H 64 4.516 4.994 -0.478 1
1 760 . 1 1 1 A 64 64 PRO C C 64 174.254 175.446 -1.192 1
1 761 . 1 1 1 A 64 64 PRO CA C 64 62.601 62.353 0.248 1
1 762 . 1 1 1 A 64 64 PRO CB C 64 31.977 29.840 2.137 1
1 765 . 1 1 1 A 65 65 PHE H H 65 9.109 8.341 0.768 1
1 766 . 1 1 1 A 65 65 PHE HA H 65 4.821 4.933 -0.112 1
1 774 . 1 1 1 A 65 65 PHE C C 65 173.320 174.342 -1.022 1
1 775 . 1 1 1 A 65 65 PHE CA C 65 57.292 57.556 -0.264 1
1 776 . 1 1 1 A 65 65 PHE CB C 65 42.894 40.970 1.924 1
1 777 . 1 1 1 A 65 65 PHE N N 65 123.469 123.361 0.108 1
1 778 . 1 1 1 A 66 66 LYS H H 66 7.474 8.728 -1.254 1
1 779 . 1 1 1 A 66 66 LYS HA H 66 5.378 5.007 0.371 1
1 788 . 1 1 1 A 66 66 LYS C C 66 175.026 174.868 0.158 1
1 789 . 1 1 1 A 66 66 LYS CA C 66 53.876 54.356 -0.480 1
1 790 . 1 1 1 A 66 66 LYS CB C 66 35.471 36.195 -0.724 1
1 794 . 1 1 1 A 66 66 LYS N N 66 125.548 123.689 1.859 1
1 795 . 1 1 1 A 67 67 PHE H H 67 8.114 8.072 0.042 1
1 796 . 1 1 1 A 67 67 PHE HA H 67 4.469 5.216 -0.747 1
1 804 . 1 1 1 A 67 67 PHE C C 67 172.049 173.470 -1.421 1
1 805 . 1 1 1 A 67 67 PHE CA C 67 55.662 54.786 0.876 1
1 806 . 1 1 1 A 67 67 PHE CB C 67 40.087 42.060 -1.973 1
1 807 . 1 1 1 A 67 67 PHE N N 67 115.419 117.063 -1.644 1
1 808 . 1 1 1 A 68 68 HIS H H 68 8.983 8.922 0.061 1
1 809 . 1 1 1 A 68 68 HIS HA H 68 5.482 5.343 0.139 1
1 812 . 1 1 1 A 68 68 HIS C C 68 174.742 174.760 -0.018 1
1 813 . 1 1 1 A 68 68 HIS CA C 68 55.348 54.169 1.179 1
1 814 . 1 1 1 A 68 68 HIS CB C 68 28.470 32.827 -4.357 1
1 815 . 1 1 1 A 68 68 HIS N N 68 118.421 116.379 2.042 1
1 816 . 1 1 1 A 69 69 LEU H H 69 8.317 8.775 -0.458 1
1 817 . 1 1 1 A 69 69 LEU HA H 69 4.016 4.404 -0.388 1
1 827 . 1 1 1 A 69 69 LEU CA C 69 56.060 56.085 -0.025 1
1 828 . 1 1 1 A 69 69 LEU CB C 69 42.903 42.175 0.728 1
1 832 . 1 1 1 A 69 69 LEU N N 69 126.736 124.208 2.528 1
1 833 . 1 1 1 A 70 70 GLU H H 70 9.618 9.235 0.383 1
1 834 . 1 1 1 A 70 70 GLU HA H 70 3.847 3.848 -0.001 1
1 839 . 1 1 1 A 70 70 GLU C C 70 174.818 176.242 -1.424 1
1 840 . 1 1 1 A 70 70 GLU CA C 70 58.625 57.594 1.031 1
1 841 . 1 1 1 A 70 70 GLU CB C 70 27.456 27.725 -0.269 1
1 843 . 1 1 1 A 70 70 GLU N N 70 124.954 122.332 2.622 1
1 844 . 1 1 1 A 71 71 GLN H H 71 8.248 8.216 0.032 1
1 845 . 1 1 1 A 71 71 GLN HA H 71 4.678 4.460 0.218 1
1 852 . 1 1 1 A 71 71 GLN CA C 71 54.218 54.728 -0.510 1
1 853 . 1 1 1 A 71 71 GLN CB C 71 30.422 28.715 1.707 1
1 856 . 1 1 1 A 71 71 GLN N N 71 114.858 117.878 -3.020 1
1 858 . 1 1 1 A 72 72 GLY H H 72 8.362 8.038 0.324 1
1 859 . 1 1 1 A 72 72 GLY HA2 H 72 4.145 4.021 0.124 1
1 860 . 1 1 1 A 72 72 GLY HA3 H 72 4.059 4.021 0.038 1
1 861 . 1 1 1 A 72 72 GLY C C 72 175.783 175.774 0.009 1
1 862 . 1 1 1 A 72 72 GLY CA C 72 46.838 45.475 1.363 1
1 863 . 1 1 1 A 72 72 GLY N N 72 110.404 109.612 0.792 1
1 864 . 1 1 1 A 73 73 GLU H H 73 9.085 8.399 0.686 1
1 865 . 1 1 1 A 73 73 GLU HA H 73 4.187 4.396 -0.209 1
1 870 . 1 1 1 A 73 73 GLU C C 73 175.522 176.608 -1.086 1
1 871 . 1 1 1 A 73 73 GLU CA C 73 57.443 58.201 -0.758 1
1 872 . 1 1 1 A 73 73 GLU CB C 73 31.378 30.372 1.006 1
1 874 . 1 1 1 A 73 73 GLU N N 73 118.421 118.314 0.107 1
1 875 . 1 1 1 A 74 74 VAL H H 74 6.862 7.576 -0.714 1
1 876 . 1 1 1 A 74 74 VAL HA H 74 4.281 4.392 -0.111 1
1 884 . 1 1 1 A 74 74 VAL C C 74 175.773 175.500 0.273 1
1 885 . 1 1 1 A 74 74 VAL CA C 74 57.468 61.175 -3.707 1
1 886 . 1 1 1 A 74 74 VAL CB C 74 36.344 33.150 3.194 1
1 889 . 1 1 1 A 74 74 VAL N N 74 108.919 116.389 -7.470 1
1 890 . 1 1 1 A 75 75 ILE H H 75 7.462 9.039 -1.577 1
1 891 . 1 1 1 A 75 75 ILE HA H 75 3.844 4.168 -0.324 1
1 901 . 1 1 1 A 75 75 ILE C C 75 177.618 177.140 0.478 1
1 902 . 1 1 1 A 75 75 ILE CA C 75 62.213 62.306 -0.093 1
1 903 . 1 1 1 A 75 75 ILE CB C 75 37.337 37.960 -0.623 1
1 907 . 1 1 1 A 75 75 ILE N N 75 113.373 123.886 -10.513 1
1 908 . 1 1 1 A 76 76 LYS H H 76 9.047 7.975 1.072 1
1 909 . 1 1 1 A 76 76 LYS HA H 76 4.282 4.457 -0.175 1
1 918 . 1 1 1 A 76 76 LYS C C 76 180.009 178.200 1.809 1
1 919 . 1 1 1 A 76 76 LYS CA C 76 59.482 56.904 2.578 1
1 920 . 1 1 1 A 76 76 LYS CB C 76 32.740 34.711 -1.971 1
1 924 . 1 1 1 A 76 76 LYS N N 76 124.954 120.797 4.157 1
1 925 . 1 1 1 A 77 77 GLY H H 77 9.775 8.419 1.356 1
1 926 . 1 1 1 A 77 77 GLY HA2 H 77 3.786 3.299 0.487 1
1 927 . 1 1 1 A 77 77 GLY HA3 H 77 3.618 3.392 0.226 1
1 928 . 1 1 1 A 77 77 GLY C C 77 175.261 176.526 -1.265 1
1 929 . 1 1 1 A 77 77 GLY CA C 77 47.402 47.102 0.300 1
1 930 . 1 1 1 A 77 77 GLY N N 77 101.199 108.083 -6.884 1
1 931 . 1 1 1 A 78 78 TRP H H 78 7.817 7.755 0.062 1
1 932 . 1 1 1 A 78 78 TRP HA H 78 4.017 4.808 -0.791 1
1 940 . 1 1 1 A 78 78 TRP C C 78 177.610 178.069 -0.459 1
1 941 . 1 1 1 A 78 78 TRP CA C 78 61.524 60.215 1.309 1
1 942 . 1 1 1 A 78 78 TRP CB C 78 28.655 30.110 -1.455 1
1 943 . 1 1 1 A 78 78 TRP N N 78 120.203 122.383 -2.180 1
1 944 . 1 1 1 A 79 79 ASP H H 79 6.967 8.211 -1.244 1
1 945 . 1 1 1 A 79 79 ASP HA H 79 4.738 4.424 0.314 1
1 948 . 1 1 1 A 79 79 ASP C C 79 179.125 178.954 0.171 1
1 949 . 1 1 1 A 79 79 ASP CA C 79 58.492 57.625 0.867 1
1 950 . 1 1 1 A 79 79 ASP CB C 79 41.181 41.810 -0.629 1
1 951 . 1 1 1 A 79 79 ASP N N 79 121.688 120.011 1.677 1
1 952 . 1 1 1 A 80 80 ILE H H 80 8.173 7.901 0.272 1
1 953 . 1 1 1 A 80 80 ILE HA H 80 3.617 3.720 -0.103 1
1 963 . 1 1 1 A 80 80 ILE C C 80 177.849 177.790 0.059 1
1 964 . 1 1 1 A 80 80 ILE CA C 80 64.758 64.822 -0.064 1
1 965 . 1 1 1 A 80 80 ILE CB C 80 39.198 37.450 1.748 1
1 969 . 1 1 1 A 80 80 ILE N N 80 118.125 118.901 -0.776 1
1 970 . 1 1 1 A 81 81 CYS H H 81 7.961 8.287 -0.326 1
1 971 . 1 1 1 A 81 81 CYS HA H 81 4.456 4.120 0.336 1
1 974 . 1 1 1 A 81 81 CYS C C 81 178.812 176.811 2.001 1
1 975 . 1 1 1 A 81 81 CYS CA C 81 63.059 62.712 0.347 1
1 976 . 1 1 1 A 81 81 CYS CB C 81 27.732 26.794 0.938 1
1 977 . 1 1 1 A 81 81 CYS N N 81 116.937 121.130 -4.193 1
1 978 . 1 1 1 A 82 82 VAL H H 82 9.434 8.393 1.041 1
1 979 . 1 1 1 A 82 82 VAL HA H 82 3.476 3.905 -0.429 1
1 987 . 1 1 1 A 82 82 VAL C C 82 176.456 177.903 -1.447 1
1 988 . 1 1 1 A 82 82 VAL CA C 82 66.977 64.989 1.988 1
1 989 . 1 1 1 A 82 82 VAL CB C 82 30.171 31.734 -1.563 1
1 992 . 1 1 1 A 82 82 VAL N N 82 121.688 118.583 3.105 1
1 993 . 1 1 1 A 83 83 SER H H 83 7.541 7.992 -0.451 1
1 994 . 1 1 1 A 83 83 SER HA H 83 3.964 4.782 -0.818 1
1 997 . 1 1 1 A 83 83 SER C C 83 173.661 175.334 -1.673 1
1 998 . 1 1 1 A 83 83 SER CA C 83 61.551 59.589 1.962 1
1 999 . 1 1 1 A 83 83 SER CB C 83 63.239 63.011 0.228 1
1 1000 . 1 1 1 A 83 83 SER N N 83 111.889 117.316 -5.427 1
1 1001 . 1 1 1 A 84 84 SER H H 84 7.471 7.883 -0.412 1
1 1002 . 1 1 1 A 84 84 SER HA H 84 4.530 4.737 -0.207 1
1 1005 . 1 1 1 A 84 84 SER C C 84 174.314 173.910 0.404 1
1 1006 . 1 1 1 A 84 84 SER CA C 84 58.440 57.066 1.374 1
1 1007 . 1 1 1 A 84 84 SER CB C 84 65.929 64.042 1.887 1
1 1008 . 1 1 1 A 84 84 SER N N 84 114.264 115.544 -1.280 1
1 1009 . 1 1 1 A 85 85 MET H H 85 7.441 7.277 0.164 1
1 1010 . 1 1 1 A 85 85 MET HA H 85 4.262 4.798 -0.536 1
1 1015 . 1 1 1 A 85 85 MET C C 85 172.768 174.694 -1.926 1
1 1016 . 1 1 1 A 85 85 MET CA C 85 56.502 54.421 2.081 1
1 1017 . 1 1 1 A 85 85 MET CB C 85 36.378 34.707 1.671 1
1 1019 . 1 1 1 A 85 85 MET N N 85 124.657 120.550 4.107 1
1 1020 . 1 1 1 A 86 86 ARG H H 86 7.045 8.437 -1.392 1
1 1021 . 1 1 1 A 86 86 ARG HA H 86 4.879 4.676 0.203 1
1 1028 . 1 1 1 A 86 86 ARG C C 86 177.468 176.227 1.241 1
1 1029 . 1 1 1 A 86 86 ARG CA C 86 53.395 53.783 -0.388 1
1 1030 . 1 1 1 A 86 86 ARG CB C 86 33.244 34.265 -1.021 1
1 1033 . 1 1 1 A 86 86 ARG N N 86 114.264 118.457 -4.193 1
1 1034 . 1 1 1 A 87 87 LYS H H 87 8.818 8.606 0.212 1
1 1035 . 1 1 1 A 87 87 LYS HA H 87 3.554 4.378 -0.824 1
1 1044 . 1 1 1 A 87 87 LYS C C 87 175.382 177.448 -2.066 1
1 1045 . 1 1 1 A 87 87 LYS CA C 87 60.175 58.380 1.795 1
1 1046 . 1 1 1 A 87 87 LYS CB C 87 33.195 32.573 0.622 1
1 1050 . 1 1 1 A 87 87 LYS N N 87 121.391 122.912 -1.521 1
1 1051 . 1 1 1 A 88 88 ASN H H 88 8.943 7.779 1.164 1
1 1052 . 1 1 1 A 88 88 ASN HA H 88 4.291 4.992 -0.701 1
1 1057 . 1 1 1 A 88 88 ASN C C 88 174.124 173.987 0.137 1
1 1058 . 1 1 1 A 88 88 ASN CA C 88 56.703 52.988 3.715 1
1 1059 . 1 1 1 A 88 88 ASN CB C 88 36.677 39.821 -3.144 1
1 1060 . 1 1 1 A 88 88 ASN N N 88 116.640 115.502 1.138 1
1 1062 . 1 1 1 A 89 89 GLU H H 89 8.677 7.523 1.154 1
1 1063 . 1 1 1 A 89 89 GLU HA H 89 4.358 4.927 -0.569 1
1 1068 . 1 1 1 A 89 89 GLU C C 89 174.903 174.523 0.380 1
1 1069 . 1 1 1 A 89 89 GLU CA C 89 56.190 54.834 1.356 1
1 1070 . 1 1 1 A 89 89 GLU CB C 89 33.096 33.265 -0.169 1
1 1072 . 1 1 1 A 89 89 GLU N N 89 122.876 120.797 2.079 1
1 1073 . 1 1 1 A 90 90 LYS H H 90 8.580 8.407 0.173 1
1 1074 . 1 1 1 A 90 90 LYS HA H 90 5.542 4.893 0.649 1
1 1083 . 1 1 1 A 90 90 LYS C C 90 175.593 174.451 1.142 1
1 1084 . 1 1 1 A 90 90 LYS CA C 90 54.210 55.965 -1.755 1
1 1085 . 1 1 1 A 90 90 LYS CB C 90 36.189 36.230 -0.041 1
1 1089 . 1 1 1 A 90 90 LYS N N 90 123.469 123.374 0.095 1
1 1090 . 1 1 1 A 91 91 CYS H H 91 9.673 8.064 1.609 1
1 1091 . 1 1 1 A 91 91 CYS HA H 91 5.524 5.150 0.374 1
1 1094 . 1 1 1 A 91 91 CYS C C 91 170.527 172.829 -2.302 1
1 1095 . 1 1 1 A 91 91 CYS CA C 91 54.690 57.795 -3.105 1
1 1096 . 1 1 1 A 91 91 CYS CB C 91 32.542 32.492 0.050 1
1 1097 . 1 1 1 A 91 91 CYS N N 91 122.579 123.852 -1.273 1
1 1098 . 1 1 1 A 92 92 LEU H H 92 8.984 8.696 0.288 1
1 1099 . 1 1 1 A 92 92 LEU HA H 92 5.458 4.969 0.489 1
1 1109 . 1 1 1 A 92 92 LEU C C 92 175.596 175.414 0.182 1
1 1110 . 1 1 1 A 92 92 LEU CA C 92 53.413 53.482 -0.069 1
1 1111 . 1 1 1 A 92 92 LEU CB C 92 44.972 42.916 2.056 1
1 1115 . 1 1 1 A 92 92 LEU N N 92 122.282 123.397 -1.115 1
1 1116 . 1 1 1 A 93 93 VAL H H 93 10.107 8.816 1.291 1
1 1117 . 1 1 1 A 93 93 VAL HA H 93 5.506 4.879 0.627 1
1 1125 . 1 1 1 A 93 93 VAL C C 93 171.051 173.996 -2.945 1
1 1126 . 1 1 1 A 93 93 VAL CA C 93 58.200 59.798 -1.598 1
1 1127 . 1 1 1 A 93 93 VAL CB C 93 35.276 34.279 0.997 1
1 1130 . 1 1 1 A 93 93 VAL N N 93 126.224 125.867 0.357 1
1 1131 . 1 1 1 A 94 94 ARG H H 94 8.949 8.900 0.049 1
1 1132 . 1 1 1 A 94 94 ARG HA H 94 5.133 4.739 0.394 1
1 1139 . 1 1 1 A 94 94 ARG C C 94 175.823 175.165 0.658 1
1 1140 . 1 1 1 A 94 94 ARG CA C 94 56.219 55.640 0.579 1
1 1141 . 1 1 1 A 94 94 ARG CB C 94 32.039 30.970 1.069 1
1 1144 . 1 1 1 A 94 94 ARG N N 94 130.596 126.826 3.770 1
1 1145 . 1 1 1 A 95 95 ILE H H 95 9.655 9.099 0.556 1
1 1146 . 1 1 1 A 95 95 ILE HA H 95 4.899 4.531 0.368 1
1 1156 . 1 1 1 A 95 95 ILE C C 95 175.215 174.902 0.313 1
1 1157 . 1 1 1 A 95 95 ILE CA C 95 60.582 60.367 0.215 1
1 1158 . 1 1 1 A 95 95 ILE CB C 95 37.359 37.418 -0.059 1
1 1162 . 1 1 1 A 95 95 ILE N N 95 129.905 126.130 3.775 1
1 1163 . 1 1 1 A 96 96 GLU H H 96 9.213 8.579 0.634 1
1 1164 . 1 1 1 A 96 96 GLU HA H 96 4.320 4.420 -0.100 1
1 1169 . 1 1 1 A 96 96 GLU C C 96 177.897 177.379 0.518 1
1 1170 . 1 1 1 A 96 96 GLU CA C 96 57.568 55.069 2.499 1
1 1171 . 1 1 1 A 96 96 GLU CB C 96 29.676 31.081 -1.405 1
1 1173 . 1 1 1 A 96 96 GLU N N 96 126.439 128.847 -2.408 1
1 1174 . 1 1 1 A 97 97 SER H H 97 8.693 8.797 -0.104 1
1 1175 . 1 1 1 A 97 97 SER HA H 97 4.370 4.097 0.273 1
1 1178 . 1 1 1 A 97 97 SER C C 97 178.668 176.031 2.637 1
1 1179 . 1 1 1 A 97 97 SER CA C 97 62.800 61.563 1.237 1
1 1180 . 1 1 1 A 97 97 SER CB C 97 64.591 62.422 2.169 1
1 1181 . 1 1 1 A 97 97 SER N N 97 115.749 119.483 -3.734 1
1 1182 . 1 1 1 A 98 98 MET H H 98 8.937 8.416 0.521 1
1 1183 . 1 1 1 A 98 98 MET HA H 98 4.170 4.220 -0.050 1
1 1188 . 1 1 1 A 98 98 MET C C 98 179.250 176.656 2.594 1
1 1189 . 1 1 1 A 98 98 MET CA C 98 58.702 57.251 1.451 1
1 1190 . 1 1 1 A 98 98 MET CB C 98 31.047 32.393 -1.346 1
1 1192 . 1 1 1 A 98 98 MET N N 98 121.985 119.004 2.981 1
1 1193 . 1 1 1 A 99 99 TYR H H 99 7.927 7.366 0.561 1
1 1194 . 1 1 1 A 99 99 TYR HA H 99 4.435 4.412 0.023 1
1 1201 . 1 1 1 A 99 99 TYR C C 99 173.125 175.841 -2.716 1
1 1202 . 1 1 1 A 99 99 TYR CA C 99 58.064 59.489 -1.425 1
1 1203 . 1 1 1 A 99 99 TYR CB C 99 39.570 38.752 0.818 1
1 1204 . 1 1 1 A 99 99 TYR N N 99 116.640 118.461 -1.821 1
1 1205 . 1 1 1 A 100 100 GLY H H 100 7.802 7.653 0.149 1
1 1206 . 1 1 1 A 100 100 GLY HA2 H 100 3.223 3.898 -0.675 1
1 1207 . 1 1 1 A 100 100 GLY HA3 H 100 4.309 3.992 0.317 1
1 1208 . 1 1 1 A 100 100 GLY C C 100 173.213 174.135 -0.922 1
1 1209 . 1 1 1 A 100 100 GLY CA C 100 45.062 44.016 1.046 1
1 1210 . 1 1 1 A 100 100 GLY N N 100 110.998 107.470 3.528 1
1 1211 . 1 1 1 A 101 101 TYR H H 101 9.407 8.360 1.047 1
1 1212 . 1 1 1 A 101 101 TYR HA H 101 4.443 4.899 -0.456 1
1 1219 . 1 1 1 A 101 101 TYR C C 101 176.014 177.070 -1.056 1
1 1220 . 1 1 1 A 101 101 TYR CA C 101 58.944 56.754 2.190 1
1 1221 . 1 1 1 A 101 101 TYR CB C 101 37.732 36.730 1.002 1
1 1222 . 1 1 1 A 101 101 TYR N N 101 126.439 118.718 7.721 1
1 1223 . 1 1 1 A 102 102 GLY H H 102 8.231 8.172 0.059 1
1 1224 . 1 1 1 A 102 102 GLY HA2 H 102 4.001 3.903 0.098 1
1 1225 . 1 1 1 A 102 102 GLY HA3 H 102 3.715 3.942 -0.227 1
1 1226 . 1 1 1 A 102 102 GLY C C 102 175.685 175.061 0.624 1
1 1227 . 1 1 1 A 102 102 GLY CA C 102 46.447 46.356 0.091 1
1 1228 . 1 1 1 A 102 102 GLY N N 102 107.138 109.355 -2.217 1
1 1229 . 1 1 1 A 103 103 ASP H H 103 8.983 7.959 1.024 1
1 1230 . 1 1 1 A 103 103 ASP HA H 103 4.277 4.428 -0.151 1
1 1233 . 1 1 1 A 103 103 ASP C C 103 176.677 178.458 -1.781 1
1 1234 . 1 1 1 A 103 103 ASP CA C 103 56.352 56.875 -0.523 1
1 1235 . 1 1 1 A 103 103 ASP CB C 103 40.640 41.418 -0.778 1
1 1236 . 1 1 1 A 103 103 ASP N N 103 124.954 120.686 4.268 1
1 1237 . 1 1 1 A 104 104 GLU H H 104 8.552 8.037 0.515 1
1 1238 . 1 1 1 A 104 104 GLU HA H 104 4.139 4.406 -0.267 1
1 1243 . 1 1 1 A 104 104 GLU C C 104 179.142 176.637 2.505 1
1 1244 . 1 1 1 A 104 104 GLU CA C 104 58.100 57.858 0.242 1
1 1245 . 1 1 1 A 104 104 GLU CB C 104 30.076 30.403 -0.327 1
1 1247 . 1 1 1 A 104 104 GLU N N 104 117.531 118.942 -1.411 1
1 1248 . 1 1 1 A 105 105 GLY H H 105 7.188 8.349 -1.161 1
1 1249 . 1 1 1 A 105 105 GLY HA2 H 105 3.137 3.939 -0.802 1
1 1250 . 1 1 1 A 105 105 GLY HA3 H 105 4.012 3.960 0.052 1
1 1251 . 1 1 1 A 105 105 GLY C C 105 171.730 174.288 -2.558 1
1 1252 . 1 1 1 A 105 105 GLY CA C 105 44.214 45.066 -0.852 1
1 1253 . 1 1 1 A 105 105 GLY N N 105 104.168 107.764 -3.596 1
1 1254 . 1 1 1 A 106 106 CYS H H 106 9.026 7.900 1.126 1
1 1255 . 1 1 1 A 106 106 CYS HA H 106 4.253 4.598 -0.345 1
1 1258 . 1 1 1 A 106 106 CYS C C 106 173.438 173.645 -0.207 1
1 1259 . 1 1 1 A 106 106 CYS CA C 106 57.814 58.249 -0.435 1
1 1260 . 1 1 1 A 106 106 CYS CB C 106 26.162 26.564 -0.402 1
1 1261 . 1 1 1 A 106 106 CYS N N 106 121.949 120.420 1.529 1
1 1262 . 1 1 1 A 107 107 GLY H H 107 8.584 8.065 0.519 1
1 1263 . 1 1 1 A 107 107 GLY HA2 H 107 3.706 4.369 -0.663 1
1 1264 . 1 1 1 A 107 107 GLY HA3 H 107 3.954 4.373 -0.419 1
1 1265 . 1 1 1 A 107 107 GLY C C 107 173.461 174.364 -0.903 1
1 1266 . 1 1 1 A 107 107 GLY CA C 107 45.258 44.494 0.764 1
1 1267 . 1 1 1 A 107 107 GLY N N 107 114.561 113.907 0.654 1
1 1268 . 1 1 1 A 108 108 GLU H H 108 8.503 8.566 -0.063 1
1 1269 . 1 1 1 A 108 108 GLU HA H 108 4.051 4.497 -0.446 1
1 1274 . 1 1 1 A 108 108 GLU C C 108 178.118 178.393 -0.275 1
1 1275 . 1 1 1 A 108 108 GLU CA C 108 57.478 57.385 0.093 1
1 1276 . 1 1 1 A 108 108 GLU CB C 108 29.835 31.411 -1.576 1
1 1278 . 1 1 1 A 108 108 GLU N N 108 119.609 118.700 0.909 1
1 1279 . 1 1 1 A 109 109 SER H H 109 8.082 8.289 -0.207 1
1 1280 . 1 1 1 A 109 109 SER HA H 109 4.127 4.304 -0.177 1
1 1283 . 1 1 1 A 109 109 SER C C 109 173.569 174.717 -1.148 1
1 1284 . 1 1 1 A 109 109 SER CA C 109 60.141 60.304 -0.163 1
1 1285 . 1 1 1 A 109 109 SER CB C 109 63.935 62.914 1.021 1
1 1286 . 1 1 1 A 109 109 SER N N 109 112.186 114.678 -2.492 1
1 1287 . 1 1 1 A 110 110 ILE H H 110 6.570 7.837 -1.267 1
1 1288 . 1 1 1 A 110 110 ILE HA H 110 4.235 4.567 -0.332 1
1 1298 . 1 1 1 A 110 110 ILE CA C 110 58.031 58.100 -0.069 1
1 1299 . 1 1 1 A 110 110 ILE CB C 110 39.086 38.136 0.950 1
1 1303 . 1 1 1 A 110 110 ILE N N 110 116.937 118.086 -1.149 1
1 1304 . 1 1 1 A 111 111 PRO HA H 111 4.510 4.902 -0.392 1
1 1311 . 1 1 1 A 111 111 PRO C C 111 179.076 176.351 2.725 1
1 1312 . 1 1 1 A 111 111 PRO CA C 111 61.703 62.271 -0.568 1
1 1313 . 1 1 1 A 111 111 PRO CB C 111 32.729 29.968 2.761 1
1 1316 . 1 1 1 A 112 112 GLY H H 112 9.018 8.603 0.415 1
1 1317 . 1 1 1 A 112 112 GLY HA2 H 112 3.461 4.146 -0.685 1
1 1318 . 1 1 1 A 112 112 GLY HA3 H 112 3.714 4.147 -0.433 1
1 1319 . 1 1 1 A 112 112 GLY C C 112 172.723 173.535 -0.812 1
1 1320 . 1 1 1 A 112 112 GLY CA C 112 46.262 45.673 0.589 1
1 1321 . 1 1 1 A 112 112 GLY N N 112 111.592 110.544 1.048 1
1 1322 . 1 1 1 A 113 113 ASN H H 113 8.381 8.085 0.296 1
1 1323 . 1 1 1 A 113 113 ASN HA H 113 4.278 4.274 0.004 1
1 1328 . 1 1 1 A 113 113 ASN C C 113 174.643 174.121 0.522 1
1 1329 . 1 1 1 A 113 113 ASN CA C 113 54.388 54.584 -0.196 1
1 1330 . 1 1 1 A 113 113 ASN CB C 113 37.204 36.967 0.237 1
1 1331 . 1 1 1 A 113 113 ASN N N 113 116.937 112.943 3.994 1
1 1333 . 1 1 1 A 114 114 SER H H 114 7.617 7.922 -0.305 1
1 1334 . 1 1 1 A 114 114 SER HA H 114 4.517 4.781 -0.264 1
1 1337 . 1 1 1 A 114 114 SER C C 114 172.904 173.260 -0.356 1
1 1338 . 1 1 1 A 114 114 SER CA C 114 59.864 57.829 2.035 1
1 1339 . 1 1 1 A 114 114 SER CB C 114 64.678 65.205 -0.527 1
1 1340 . 1 1 1 A 114 114 SER N N 114 113.077 113.514 -0.437 1
1 1341 . 1 1 1 A 115 115 VAL H H 115 8.500 8.366 0.134 1
1 1342 . 1 1 1 A 115 115 VAL HA H 115 4.341 4.622 -0.281 1
1 1350 . 1 1 1 A 115 115 VAL C C 115 176.075 174.177 1.898 1
1 1351 . 1 1 1 A 115 115 VAL CA C 115 62.705 61.374 1.331 1
1 1352 . 1 1 1 A 115 115 VAL CB C 115 31.546 32.667 -1.121 1
1 1355 . 1 1 1 A 115 115 VAL N N 115 124.360 123.852 0.508 1
1 1356 . 1 1 1 A 116 116 LEU H H 116 9.104 9.037 0.067 1
1 1357 . 1 1 1 A 116 116 LEU HA H 116 5.002 4.942 0.060 1
1 1367 . 1 1 1 A 116 116 LEU C C 116 174.923 175.888 -0.965 1
1 1368 . 1 1 1 A 116 116 LEU CA C 116 53.123 53.533 -0.410 1
1 1369 . 1 1 1 A 116 116 LEU CB C 116 45.379 45.153 0.226 1
1 1373 . 1 1 1 A 116 116 LEU N N 116 128.814 129.980 -1.166 1
1 1374 . 1 1 1 A 117 117 LEU H H 117 9.009 8.485 0.524 1
1 1375 . 1 1 1 A 117 117 LEU HA H 117 5.601 5.149 0.452 1
1 1385 . 1 1 1 A 117 117 LEU C C 117 176.574 175.415 1.159 1
1 1386 . 1 1 1 A 117 117 LEU CA C 117 52.750 53.485 -0.735 1
1 1387 . 1 1 1 A 117 117 LEU CB C 117 44.693 44.023 0.670 1
1 1391 . 1 1 1 A 117 117 LEU N N 117 121.391 121.778 -0.387 1
1 1392 . 1 1 1 A 118 118 PHE H H 118 9.375 8.928 0.447 1
1 1393 . 1 1 1 A 118 118 PHE HA H 118 6.155 5.216 0.939 1
1 1401 . 1 1 1 A 118 118 PHE C C 118 176.518 175.440 1.078 1
1 1402 . 1 1 1 A 118 118 PHE CA C 118 55.411 56.418 -1.007 1
1 1403 . 1 1 1 A 118 118 PHE CB C 118 42.385 41.858 0.527 1
1 1404 . 1 1 1 A 118 118 PHE N N 118 117.531 122.450 -4.919 1
1 1405 . 1 1 1 A 119 119 GLU H H 119 8.905 9.913 -1.008 1
1 1406 . 1 1 1 A 119 119 GLU HA H 119 5.604 4.721 0.883 1
1 1411 . 1 1 1 A 119 119 GLU C C 119 175.947 175.818 0.129 1
1 1412 . 1 1 1 A 119 119 GLU CA C 119 60.489 56.822 3.667 1
1 1413 . 1 1 1 A 119 119 GLU CB C 119 31.189 30.178 1.011 1
1 1415 . 1 1 1 A 119 119 GLU N N 119 122.876 124.438 -1.562 1
1 1416 . 1 1 1 A 120 120 ILE H H 120 8.912 8.720 0.192 1
1 1417 . 1 1 1 A 120 120 ILE HA H 120 4.965 4.925 0.040 1
1 1427 . 1 1 1 A 120 120 ILE C C 120 173.341 174.186 -0.845 1
1 1428 . 1 1 1 A 120 120 ILE CA C 120 60.568 60.227 0.341 1
1 1429 . 1 1 1 A 120 120 ILE CB C 120 41.927 38.767 3.160 1
1 1433 . 1 1 1 A 120 120 ILE N N 120 123.000 126.721 -3.721 1
1 1434 . 1 1 1 A 121 121 GLU H H 121 9.074 8.748 0.326 1
1 1435 . 1 1 1 A 121 121 GLU HA H 121 5.445 5.101 0.344 1
1 1440 . 1 1 1 A 121 121 GLU C C 121 175.254 174.794 0.460 1
1 1441 . 1 1 1 A 121 121 GLU CA C 121 53.941 54.572 -0.631 1
1 1442 . 1 1 1 A 121 121 GLU CB C 121 33.897 32.520 1.377 1
1 1444 . 1 1 1 A 121 121 GLU N N 121 128.221 128.922 -0.701 1
1 1445 . 1 1 1 A 122 122 LEU H H 122 8.112 8.723 -0.611 1
1 1446 . 1 1 1 A 122 122 LEU HA H 122 4.680 4.527 0.153 1
1 1456 . 1 1 1 A 122 122 LEU C C 122 174.472 176.966 -2.494 1
1 1457 . 1 1 1 A 122 122 LEU CA C 122 54.403 54.410 -0.007 1
1 1458 . 1 1 1 A 122 122 LEU CB C 122 40.796 41.368 -0.572 1
1 1462 . 1 1 1 A 122 122 LEU N N 122 127.033 128.377 -1.344 1
1 1463 . 1 1 1 A 123 123 LEU H H 123 8.704 8.244 0.460 1
1 1464 . 1 1 1 A 123 123 LEU HA H 123 4.385 4.447 -0.062 1
1 1474 . 1 1 1 A 123 123 LEU C C 123 177.614 176.792 0.822 1
1 1475 . 1 1 1 A 123 123 LEU CA C 123 57.095 55.487 1.608 1
1 1476 . 1 1 1 A 123 123 LEU CB C 123 42.226 42.547 -0.321 1
1 1480 . 1 1 1 A 123 123 LEU N N 123 128.814 123.474 5.340 1
1 1481 . 1 1 1 A 124 124 SER H H 124 7.602 7.450 0.152 1
1 1482 . 1 1 1 A 124 124 SER HA H 124 4.161 4.928 -0.767 1
1 1485 . 1 1 1 A 124 124 SER C C 124 171.375 172.497 -1.122 1
1 1486 . 1 1 1 A 124 124 SER CA C 124 57.545 57.087 0.458 1
1 1487 . 1 1 1 A 124 124 SER CB C 124 63.359 65.620 -2.261 1
1 1488 . 1 1 1 A 124 124 SER N N 124 105.653 113.790 -8.137 1
1 1489 . 1 1 1 A 125 125 PHE H H 125 7.818 8.968 -1.150 1
1 1490 . 1 1 1 A 125 125 PHE HA H 125 5.451 5.499 -0.048 1
1 1498 . 1 1 1 A 125 125 PHE C C 125 173.154 173.313 -0.159 1
1 1499 . 1 1 1 A 125 125 PHE CA C 125 56.463 56.222 0.241 1
1 1500 . 1 1 1 A 125 125 PHE CB C 125 42.301 41.729 0.572 1
1 1501 . 1 1 1 A 125 125 PHE N N 125 113.373 120.014 -6.641 1
1 1502 . 1 1 1 A 126 126 ARG H H 126 8.934 8.477 0.457 1
1 1503 . 1 1 1 A 126 126 ARG HA H 126 4.693 4.689 0.004 1
1 1510 . 1 1 1 A 126 126 ARG C C 126 174.013 174.442 -0.429 1
1 1511 . 1 1 1 A 126 126 ARG CA C 126 54.654 54.755 -0.101 1
1 1512 . 1 1 1 A 126 126 ARG CB C 126 33.064 33.132 -0.068 1
1 1515 . 1 1 1 A 126 126 ARG N N 126 116.046 118.356 -2.310 1
1 1516 . 1 1 1 A 127 127 GLU H H 127 8.665 8.598 0.067 1
1 1517 . 1 1 1 A 127 127 GLU HA H 127 4.436 4.716 -0.280 1
1 1522 . 1 1 1 A 127 127 GLU C C 127 176.050 175.595 0.455 1
1 1523 . 1 1 1 A 127 127 GLU CA C 127 55.552 56.772 -1.220 1
1 1524 . 1 1 1 A 127 127 GLU CB C 127 30.600 30.196 0.404 1
1 1 . 2 1 1 A 2 2 THR HA H 2 4.479 4.495 -0.016 1
1 6 . 2 1 1 A 2 2 THR C C 2 174.348 173.788 0.560 1
1 7 . 2 1 1 A 2 2 THR CA C 2 61.838 62.866 -1.028 1
1 8 . 2 1 1 A 2 2 THR CB C 2 69.919 69.154 0.765 1
1 10 . 2 1 1 A 3 3 THR H H 3 8.289 8.705 -0.416 1
1 11 . 2 1 1 A 3 3 THR HA H 3 4.282 4.562 -0.280 1
1 16 . 2 1 1 A 3 3 THR C C 3 174.404 174.048 0.356 1
1 17 . 2 1 1 A 3 3 THR CA C 3 62.140 63.525 -1.385 1
1 18 . 2 1 1 A 3 3 THR CB C 3 69.658 71.089 -1.431 1
1 20 . 2 1 1 A 3 3 THR N N 3 116.640 120.061 -3.421 1
1 21 . 2 1 1 A 4 4 GLU H H 4 8.567 7.933 0.634 1
1 22 . 2 1 1 A 4 4 GLU HA H 4 4.156 4.713 -0.557 1
1 27 . 2 1 1 A 4 4 GLU C C 4 176.216 175.971 0.245 1
1 28 . 2 1 1 A 4 4 GLU CA C 4 56.929 55.010 1.919 1
1 29 . 2 1 1 A 4 4 GLU CB C 4 29.821 32.614 -2.793 1
1 31 . 2 1 1 A 4 4 GLU N N 4 123.469 117.285 6.184 1
1 32 . 2 1 1 A 5 5 GLN H H 5 8.222 8.470 -0.248 1
1 33 . 2 1 1 A 5 5 GLN HA H 5 4.167 4.355 -0.188 1
1 40 . 2 1 1 A 5 5 GLN C C 5 175.216 175.445 -0.229 1
1 41 . 2 1 1 A 5 5 GLN CA C 5 55.674 55.725 -0.051 1
1 42 . 2 1 1 A 5 5 GLN CB C 5 29.553 28.919 0.634 1
1 45 . 2 1 1 A 5 5 GLN N N 5 120.797 120.317 0.480 1
1 47 . 2 1 1 A 6 6 GLU H H 6 8.171 8.632 -0.461 1
1 48 . 2 1 1 A 6 6 GLU HA H 6 4.080 4.389 -0.309 1
1 53 . 2 1 1 A 6 6 GLU C C 6 175.870 176.085 -0.215 1
1 54 . 2 1 1 A 6 6 GLU CA C 6 56.400 55.067 1.333 1
1 55 . 2 1 1 A 6 6 GLU CB C 6 30.335 29.482 0.853 1
1 57 . 2 1 1 A 6 6 GLU N N 6 122.100 126.433 -4.333 1
1 58 . 2 1 1 A 7 7 PHE H H 7 8.051 7.558 0.493 1
1 59 . 2 1 1 A 7 7 PHE HA H 7 4.710 4.865 -0.155 1
1 67 . 2 1 1 A 7 7 PHE C C 7 175.461 174.206 1.255 1
1 68 . 2 1 1 A 7 7 PHE CA C 7 56.825 57.434 -0.609 1
1 69 . 2 1 1 A 7 7 PHE CB C 7 39.812 41.514 -1.702 1
1 70 . 2 1 1 A 7 7 PHE N N 7 120.500 119.894 0.606 1
1 71 . 2 1 1 A 8 8 GLU H H 8 8.626 9.020 -0.394 1
1 72 . 2 1 1 A 8 8 GLU HA H 8 4.193 5.122 -0.929 1
1 77 . 2 1 1 A 8 8 GLU C C 8 176.141 175.172 0.969 1
1 78 . 2 1 1 A 8 8 GLU CA C 8 56.932 54.277 2.655 1
1 79 . 2 1 1 A 8 8 GLU CB C 8 30.794 33.493 -2.699 1
1 81 . 2 1 1 A 8 8 GLU N N 8 123.469 120.485 2.984 1
1 82 . 2 1 1 A 9 9 LYS H H 9 8.396 8.644 -0.248 1
1 83 . 2 1 1 A 9 9 LYS HA H 9 5.100 4.756 0.344 1
1 92 . 2 1 1 A 9 9 LYS C C 9 176.168 176.077 0.091 1
1 93 . 2 1 1 A 9 9 LYS CA C 9 55.428 55.682 -0.254 1
1 94 . 2 1 1 A 9 9 LYS CB C 9 34.214 34.053 0.161 1
1 98 . 2 1 1 A 9 9 LYS N N 9 124.954 125.404 -0.450 1
1 99 . 2 1 1 A 10 10 VAL H H 10 9.445 9.232 0.213 1
1 100 . 2 1 1 A 10 10 VAL HA H 10 4.278 4.542 -0.264 1
1 108 . 2 1 1 A 10 10 VAL C C 10 174.967 175.085 -0.118 1
1 109 . 2 1 1 A 10 10 VAL CA C 10 60.951 61.454 -0.503 1
1 110 . 2 1 1 A 10 10 VAL CB C 10 34.681 31.843 2.838 1
1 113 . 2 1 1 A 10 10 VAL N N 10 124.360 122.929 1.431 1
1 114 . 2 1 1 A 11 11 GLU H H 11 9.021 8.855 0.166 1
1 115 . 2 1 1 A 11 11 GLU HA H 11 4.369 4.806 -0.437 1
1 120 . 2 1 1 A 11 11 GLU C C 11 174.797 176.306 -1.509 1
1 121 . 2 1 1 A 11 11 GLU CA C 11 56.728 55.144 1.584 1
1 122 . 2 1 1 A 11 11 GLU CB C 11 28.655 30.280 -1.625 1
1 124 . 2 1 1 A 11 11 GLU N N 11 127.924 126.761 1.163 1
1 125 . 2 1 1 A 12 12 LEU H H 12 8.396 8.718 -0.322 1
1 126 . 2 1 1 A 12 12 LEU HA H 12 4.311 3.850 0.461 1
1 136 . 2 1 1 A 12 12 LEU C C 12 176.600 175.638 0.962 1
1 137 . 2 1 1 A 12 12 LEU CA C 12 55.292 55.867 -0.575 1
1 138 . 2 1 1 A 12 12 LEU CB C 12 42.624 40.687 1.937 1
1 142 . 2 1 1 A 12 12 LEU N N 12 124.954 123.191 1.763 1
1 143 . 2 1 1 A 13 13 THR H H 13 7.328 7.800 -0.472 1
1 144 . 2 1 1 A 13 13 THR HA H 13 4.530 4.292 0.238 1
1 149 . 2 1 1 A 13 13 THR C C 13 175.180 176.149 -0.969 1
1 150 . 2 1 1 A 13 13 THR CA C 13 59.603 62.452 -2.849 1
1 151 . 2 1 1 A 13 13 THR CB C 13 70.742 69.331 1.411 1
1 153 . 2 1 1 A 13 13 THR N N 13 106.841 112.634 -5.793 1
1 154 . 2 1 1 A 14 14 ALA H H 14 8.689 8.957 -0.268 1
1 155 . 2 1 1 A 14 14 ALA HA H 14 4.247 4.135 0.112 1
1 159 . 2 1 1 A 14 14 ALA C C 14 177.522 177.626 -0.104 1
1 160 . 2 1 1 A 14 14 ALA CA C 14 53.875 53.522 0.353 1
1 161 . 2 1 1 A 14 14 ALA CB C 14 17.920 18.743 -0.823 1
1 162 . 2 1 1 A 14 14 ALA N N 14 123.733 129.849 -6.116 1
1 163 . 2 1 1 A 15 15 ASP H H 15 7.516 7.616 -0.100 1
1 164 . 2 1 1 A 15 15 ASP HA H 15 4.518 4.772 -0.254 1
1 167 . 2 1 1 A 15 15 ASP C C 15 177.402 176.252 1.150 1
1 168 . 2 1 1 A 15 15 ASP CA C 15 52.635 53.685 -1.050 1
1 169 . 2 1 1 A 15 15 ASP CB C 15 40.912 41.204 -0.292 1
1 170 . 2 1 1 A 15 15 ASP N N 15 113.967 117.700 -3.733 1
1 171 . 2 1 1 A 16 16 GLY H H 16 7.986 7.385 0.601 1
1 172 . 2 1 1 A 16 16 GLY HA2 H 16 4.080 3.996 0.084 1
1 173 . 2 1 1 A 16 16 GLY HA3 H 16 3.529 4.008 -0.479 1
1 174 . 2 1 1 A 16 16 GLY C C 16 175.233 175.272 -0.039 1
1 175 . 2 1 1 A 16 16 GLY CA C 16 45.798 44.954 0.844 1
1 176 . 2 1 1 A 16 16 GLY N N 16 108.919 106.701 2.218 1
1 177 . 2 1 1 A 17 17 GLY H H 17 8.681 8.530 0.151 1
1 178 . 2 1 1 A 17 17 GLY HA2 H 17 4.513 3.907 0.606 1
1 179 . 2 1 1 A 17 17 GLY HA3 H 17 4.513 3.909 0.604 1
1 180 . 2 1 1 A 17 17 GLY C C 17 172.684 174.156 -1.472 1
1 181 . 2 1 1 A 17 17 GLY CA C 17 46.672 46.931 -0.259 1
1 182 . 2 1 1 A 17 17 GLY N N 17 108.663 108.529 0.134 1
1 183 . 2 1 1 A 18 18 VAL H H 18 6.903 7.481 -0.578 1
1 184 . 2 1 1 A 18 18 VAL HA H 18 4.855 4.235 0.620 1
1 192 . 2 1 1 A 18 18 VAL C C 18 174.737 174.542 0.195 1
1 193 . 2 1 1 A 18 18 VAL CA C 18 62.035 60.540 1.495 1
1 194 . 2 1 1 A 18 18 VAL CB C 18 33.315 35.329 -2.014 1
1 197 . 2 1 1 A 18 18 VAL N N 18 117.234 118.521 -1.287 1
1 198 . 2 1 1 A 19 19 ILE H H 19 8.243 8.481 -0.238 1
1 199 . 2 1 1 A 19 19 ILE HA H 19 4.665 4.820 -0.155 1
1 209 . 2 1 1 A 19 19 ILE C C 19 174.360 175.417 -1.057 1
1 210 . 2 1 1 A 19 19 ILE CA C 19 60.736 60.733 0.003 1
1 211 . 2 1 1 A 19 19 ILE CB C 19 41.856 37.458 4.398 1
1 215 . 2 1 1 A 19 19 ILE N N 19 126.439 127.573 -1.134 1
1 216 . 2 1 1 A 20 20 LYS H H 20 9.345 8.770 0.575 1
1 217 . 2 1 1 A 20 20 LYS HA H 20 5.296 5.146 0.150 1
1 226 . 2 1 1 A 20 20 LYS C C 20 173.618 174.537 -0.919 1
1 227 . 2 1 1 A 20 20 LYS CA C 20 54.842 54.653 0.189 1
1 228 . 2 1 1 A 20 20 LYS CB C 20 36.261 35.973 0.288 1
1 232 . 2 1 1 A 20 20 LYS N N 20 129.408 124.689 4.719 1
1 233 . 2 1 1 A 21 21 THR H H 21 9.597 9.338 0.259 1
1 234 . 2 1 1 A 21 21 THR HA H 21 4.923 4.919 0.004 1
1 239 . 2 1 1 A 21 21 THR C C 21 174.648 174.150 0.498 1
1 240 . 2 1 1 A 21 21 THR CA C 21 61.703 61.986 -0.283 1
1 241 . 2 1 1 A 21 21 THR CB C 21 70.230 69.715 0.515 1
1 243 . 2 1 1 A 21 21 THR N N 21 123.469 117.940 5.529 1
1 244 . 2 1 1 A 22 22 ILE H H 22 9.248 8.350 0.898 1
1 245 . 2 1 1 A 22 22 ILE HA H 22 3.637 4.162 -0.525 1
1 255 . 2 1 1 A 22 22 ILE C C 22 174.348 174.959 -0.611 1
1 256 . 2 1 1 A 22 22 ILE CA C 22 64.258 61.740 2.518 1
1 257 . 2 1 1 A 22 22 ILE CB C 22 37.551 38.619 -1.068 1
1 261 . 2 1 1 A 22 22 ILE N N 22 128.517 127.873 0.644 1
1 262 . 2 1 1 A 23 23 LEU H H 23 8.498 8.473 0.025 1
1 263 . 2 1 1 A 23 23 LEU HA H 23 4.180 3.961 0.219 1
1 273 . 2 1 1 A 23 23 LEU C C 23 177.521 176.680 0.841 1
1 274 . 2 1 1 A 23 23 LEU CA C 23 55.460 55.571 -0.111 1
1 275 . 2 1 1 A 23 23 LEU CB C 23 42.239 42.722 -0.483 1
1 279 . 2 1 1 A 23 23 LEU N N 23 128.517 129.942 -1.425 1
1 280 . 2 1 1 A 24 24 LYS H H 24 8.020 7.618 0.402 1
1 281 . 2 1 1 A 24 24 LYS HA H 24 4.392 4.742 -0.350 1
1 290 . 2 1 1 A 24 24 LYS C C 24 174.465 174.984 -0.519 1
1 291 . 2 1 1 A 24 24 LYS CA C 24 55.848 54.919 0.929 1
1 292 . 2 1 1 A 24 24 LYS CB C 24 35.692 35.143 0.549 1
1 296 . 2 1 1 A 24 24 LYS N N 24 120.797 117.421 3.376 1
1 297 . 2 1 1 A 25 25 LYS H H 25 8.657 8.741 -0.084 1
1 298 . 2 1 1 A 25 25 LYS HA H 25 4.178 4.901 -0.723 1
1 307 . 2 1 1 A 25 25 LYS C C 25 177.616 176.337 1.279 1
1 308 . 2 1 1 A 25 25 LYS CA C 25 57.218 54.490 2.728 1
1 309 . 2 1 1 A 25 25 LYS CB C 25 32.846 34.668 -1.822 1
1 313 . 2 1 1 A 25 25 LYS N N 25 126.439 127.256 -0.817 1
1 314 . 2 1 1 A 26 26 GLY H H 26 9.728 8.319 1.409 1
1 315 . 2 1 1 A 26 26 GLY HA2 H 26 3.408 4.113 -0.705 1
1 316 . 2 1 1 A 26 26 GLY HA3 H 26 4.120 4.114 0.006 1
1 317 . 2 1 1 A 26 26 GLY C C 26 173.278 173.830 -0.552 1
1 318 . 2 1 1 A 26 26 GLY CA C 26 43.709 44.441 -0.732 1
1 319 . 2 1 1 A 26 26 GLY N N 26 110.404 107.873 2.531 1
1 320 . 2 1 1 A 27 27 ASP H H 27 8.550 8.200 0.350 1
1 321 . 2 1 1 A 27 27 ASP HA H 27 4.401 4.835 -0.434 1
1 324 . 2 1 1 A 27 27 ASP C C 27 175.993 176.201 -0.208 1
1 325 . 2 1 1 A 27 27 ASP CA C 27 55.105 54.908 0.197 1
1 326 . 2 1 1 A 27 27 ASP CB C 27 41.688 42.424 -0.736 1
1 327 . 2 1 1 A 27 27 ASP N N 27 121.391 120.514 0.877 1
1 328 . 2 1 1 A 28 28 GLU H H 28 8.419 8.231 0.188 1
1 329 . 2 1 1 A 28 28 GLU HA H 28 4.063 4.858 -0.795 1
1 334 . 2 1 1 A 28 28 GLU C C 28 176.146 175.700 0.446 1
1 335 . 2 1 1 A 28 28 GLU CA C 28 57.076 54.361 2.715 1
1 336 . 2 1 1 A 28 28 GLU CB C 28 30.774 32.442 -1.668 1
1 338 . 2 1 1 A 28 28 GLU N N 28 120.203 114.117 6.086 1
1 339 . 2 1 1 A 29 29 GLY H H 29 8.364 8.416 -0.052 1
1 340 . 2 1 1 A 29 29 GLY HA2 H 29 4.758 4.165 0.593 1
1 341 . 2 1 1 A 29 29 GLY HA3 H 29 4.584 4.167 0.417 1
1 342 . 2 1 1 A 29 29 GLY C C 29 175.976 174.907 1.069 1
1 343 . 2 1 1 A 29 29 GLY CA C 29 44.686 45.516 -0.830 1
1 344 . 2 1 1 A 29 29 GLY N N 29 110.404 107.269 3.135 1
1 345 . 2 1 1 A 30 30 GLU H H 30 8.867 8.359 0.508 1
1 346 . 2 1 1 A 30 30 GLU HA H 30 3.749 3.903 -0.154 1
1 351 . 2 1 1 A 30 30 GLU C C 30 177.872 177.732 0.140 1
1 352 . 2 1 1 A 30 30 GLU CA C 30 59.045 59.176 -0.131 1
1 353 . 2 1 1 A 30 30 GLU CB C 30 29.030 29.580 -0.550 1
1 355 . 2 1 1 A 30 30 GLU N N 30 125.251 120.876 4.375 1
1 356 . 2 1 1 A 31 31 GLU H H 31 9.842 8.141 1.701 1
1 357 . 2 1 1 A 31 31 GLU HA H 31 4.312 4.335 -0.023 1
1 362 . 2 1 1 A 31 31 GLU C C 31 176.330 175.879 0.451 1
1 363 . 2 1 1 A 31 31 GLU CA C 31 57.437 56.135 1.302 1
1 364 . 2 1 1 A 31 31 GLU CB C 31 28.040 29.428 -1.388 1
1 366 . 2 1 1 A 31 31 GLU N N 31 118.421 115.483 2.938 1
1 367 . 2 1 1 A 32 32 ASN H H 32 7.731 7.849 -0.118 1
1 368 . 2 1 1 A 32 32 ASN HA H 32 5.127 5.011 0.116 1
1 373 . 2 1 1 A 32 32 ASN C C 32 172.750 174.031 -1.281 1
1 374 . 2 1 1 A 32 32 ASN CA C 32 54.111 52.530 1.581 1
1 375 . 2 1 1 A 32 32 ASN CB C 32 40.161 38.600 1.561 1
1 376 . 2 1 1 A 32 32 ASN N N 32 116.937 118.918 -1.981 1
1 378 . 2 1 1 A 33 33 ILE H H 33 7.105 8.170 -1.065 1
1 379 . 2 1 1 A 33 33 ILE HA H 33 4.793 4.788 0.005 1
1 389 . 2 1 1 A 33 33 ILE CA C 33 57.895 57.785 0.110 1
1 390 . 2 1 1 A 33 33 ILE CB C 33 40.609 41.448 -0.839 1
1 394 . 2 1 1 A 33 33 ILE N N 33 121.985 125.822 -3.837 1
1 395 . 2 1 1 A 34 34 PRO HA H 34 4.065 5.250 -1.185 1
1 402 . 2 1 1 A 34 34 PRO C C 34 173.754 176.036 -2.282 1
1 403 . 2 1 1 A 34 34 PRO CA C 34 61.962 62.185 -0.223 1
1 404 . 2 1 1 A 34 34 PRO CB C 34 31.877 31.629 0.248 1
1 407 . 2 1 1 A 35 35 LYS H H 35 7.101 8.727 -1.626 1
1 408 . 2 1 1 A 35 35 LYS HA H 35 4.377 4.886 -0.509 1
1 417 . 2 1 1 A 35 35 LYS C C 35 175.712 175.268 0.444 1
1 418 . 2 1 1 A 35 35 LYS CA C 35 53.404 54.556 -1.152 1
1 419 . 2 1 1 A 35 35 LYS CB C 35 35.229 36.736 -1.507 1
1 423 . 2 1 1 A 35 35 LYS N N 35 116.046 123.190 -7.144 1
1 424 . 2 1 1 A 36 36 LYS H H 36 8.144 8.623 -0.479 1
1 425 . 2 1 1 A 36 36 LYS HA H 36 3.515 3.988 -0.473 1
1 434 . 2 1 1 A 36 36 LYS C C 36 176.774 177.459 -0.685 1
1 435 . 2 1 1 A 36 36 LYS CA C 36 58.608 58.080 0.528 1
1 436 . 2 1 1 A 36 36 LYS CB C 36 32.089 32.267 -0.178 1
1 440 . 2 1 1 A 36 36 LYS N N 36 120.797 122.837 -2.040 1
1 441 . 2 1 1 A 37 37 GLY H H 37 9.113 8.949 0.164 1
1 442 . 2 1 1 A 37 37 GLY HA2 H 37 3.494 4.029 -0.535 1
1 443 . 2 1 1 A 37 37 GLY HA3 H 37 4.330 4.037 0.293 1
1 444 . 2 1 1 A 37 37 GLY C C 37 175.329 173.977 1.352 1
1 445 . 2 1 1 A 37 37 GLY CA C 37 44.853 44.938 -0.085 1
1 446 . 2 1 1 A 37 37 GLY N N 37 113.967 114.773 -0.806 1
1 447 . 2 1 1 A 38 38 ASN H H 38 8.447 7.546 0.901 1
1 448 . 2 1 1 A 38 38 ASN HA H 38 4.663 5.079 -0.416 1
1 453 . 2 1 1 A 38 38 ASN C C 38 174.878 174.903 -0.025 1
1 454 . 2 1 1 A 38 38 ASN CA C 38 53.557 52.411 1.146 1
1 455 . 2 1 1 A 38 38 ASN CB C 38 39.155 40.161 -1.006 1
1 457 . 2 1 1 A 38 38 ASN N N 38 117.828 118.675 -0.847 1
1 459 . 2 1 1 A 39 39 GLU H H 39 8.331 8.716 -0.385 1
1 460 . 2 1 1 A 39 39 GLU HA H 39 4.254 4.764 -0.510 1
1 465 . 2 1 1 A 39 39 GLU C C 39 175.656 176.417 -0.761 1
1 466 . 2 1 1 A 39 39 GLU CA C 39 55.804 56.257 -0.453 1
1 467 . 2 1 1 A 39 39 GLU CB C 39 31.464 30.384 1.080 1
1 469 . 2 1 1 A 39 39 GLU N N 39 121.094 121.532 -0.438 1
1 470 . 2 1 1 A 40 40 VAL H H 40 9.138 9.030 0.108 1
1 471 . 2 1 1 A 40 40 VAL HA H 40 4.699 5.102 -0.403 1
1 479 . 2 1 1 A 40 40 VAL C C 40 173.240 174.226 -0.986 1
1 480 . 2 1 1 A 40 40 VAL CA C 40 59.559 60.209 -0.650 1
1 481 . 2 1 1 A 40 40 VAL CB C 40 32.896 35.053 -2.157 1
1 484 . 2 1 1 A 40 40 VAL N N 40 125.845 118.204 7.641 1
1 485 . 2 1 1 A 41 41 THR H H 41 8.328 9.106 -0.778 1
1 486 . 2 1 1 A 41 41 THR HA H 41 4.982 4.782 0.200 1
1 491 . 2 1 1 A 41 41 THR C C 41 174.455 173.904 0.551 1
1 492 . 2 1 1 A 41 41 THR CA C 41 61.964 61.418 0.546 1
1 493 . 2 1 1 A 41 41 THR CB C 41 69.623 70.984 -1.361 1
1 495 . 2 1 1 A 41 41 THR N N 41 117.531 116.424 1.107 1
1 496 . 2 1 1 A 42 42 VAL H H 42 9.581 8.620 0.961 1
1 497 . 2 1 1 A 42 42 VAL HA H 42 5.669 5.054 0.615 1
1 505 . 2 1 1 A 42 42 VAL C C 42 174.919 173.730 1.189 1
1 506 . 2 1 1 A 42 42 VAL CA C 42 57.930 58.400 -0.470 1
1 507 . 2 1 1 A 42 42 VAL CB C 42 35.321 35.270 0.051 1
1 510 . 2 1 1 A 42 42 VAL N N 42 117.828 119.481 -1.653 1
1 511 . 2 1 1 A 43 43 HIS H H 43 8.333 8.421 -0.088 1
1 512 . 2 1 1 A 43 43 HIS HA H 43 5.407 5.274 0.133 1
1 515 . 2 1 1 A 43 43 HIS C C 43 176.136 174.446 1.690 1
1 516 . 2 1 1 A 43 43 HIS CA C 43 54.147 54.407 -0.260 1
1 517 . 2 1 1 A 43 43 HIS CB C 43 35.339 32.300 3.039 1
1 518 . 2 1 1 A 43 43 HIS N N 43 119.906 121.356 -1.450 1
1 519 . 2 1 1 A 44 44 TYR H H 44 9.622 8.811 0.811 1
1 520 . 2 1 1 A 44 44 TYR HA H 44 6.247 6.520 -0.273 1
1 527 . 2 1 1 A 44 44 TYR C C 44 172.857 173.992 -1.135 1
1 528 . 2 1 1 A 44 44 TYR CA C 44 56.304 55.832 0.472 1
1 529 . 2 1 1 A 44 44 TYR CB C 44 43.537 42.627 0.910 1
1 530 . 2 1 1 A 44 44 TYR N N 44 117.234 118.937 -1.703 1
1 531 . 2 1 1 A 45 45 VAL H H 45 8.735 8.971 -0.236 1
1 532 . 2 1 1 A 45 45 VAL HA H 45 4.520 4.941 -0.421 1
1 540 . 2 1 1 A 45 45 VAL C C 45 175.200 174.899 0.301 1
1 541 . 2 1 1 A 45 45 VAL CA C 45 62.212 60.618 1.594 1
1 542 . 2 1 1 A 45 45 VAL CB C 45 35.550 35.127 0.423 1
1 545 . 2 1 1 A 45 45 VAL N N 45 118.125 119.096 -0.971 1
1 546 . 2 1 1 A 46 46 GLY H H 46 9.126 8.580 0.546 1
1 547 . 2 1 1 A 46 46 GLY HA2 H 46 4.539 4.204 0.335 1
1 548 . 2 1 1 A 46 46 GLY HA3 H 46 4.506 4.211 0.295 1
1 549 . 2 1 1 A 46 46 GLY C C 46 170.771 171.625 -0.854 1
1 550 . 2 1 1 A 46 46 GLY CA C 46 45.601 46.089 -0.488 1
1 551 . 2 1 1 A 46 46 GLY N N 46 114.858 111.718 3.140 1
1 552 . 2 1 1 A 47 47 LYS H H 47 9.121 7.893 1.228 1
1 553 . 2 1 1 A 47 47 LYS HA H 47 5.176 4.256 0.920 1
1 562 . 2 1 1 A 47 47 LYS C C 47 175.830 174.000 1.830 1
1 563 . 2 1 1 A 47 47 LYS CA C 47 53.937 53.923 0.014 1
1 564 . 2 1 1 A 47 47 LYS CB C 47 37.021 36.057 0.964 1
1 568 . 2 1 1 A 47 47 LYS N N 47 123.469 119.151 4.318 1
1 569 . 2 1 1 A 48 48 LEU H H 48 8.016 9.089 -1.073 1
1 570 . 2 1 1 A 48 48 LEU HA H 48 4.692 4.542 0.150 1
1 580 . 2 1 1 A 48 48 LEU C C 48 178.031 176.512 1.519 1
1 581 . 2 1 1 A 48 48 LEU CA C 48 54.231 54.303 -0.072 1
1 582 . 2 1 1 A 48 48 LEU CB C 48 41.678 41.610 0.068 1
1 586 . 2 1 1 A 48 48 LEU N N 48 121.391 122.969 -1.578 1
1 587 . 2 1 1 A 49 49 GLU H H 49 8.085 8.530 -0.445 1
1 588 . 2 1 1 A 49 49 GLU HA H 49 3.835 3.826 0.009 1
1 593 . 2 1 1 A 49 49 GLU C C 49 178.118 178.178 -0.060 1
1 594 . 2 1 1 A 49 49 GLU CA C 49 59.974 59.810 0.164 1
1 595 . 2 1 1 A 49 49 GLU CB C 49 30.322 29.293 1.029 1
1 597 . 2 1 1 A 49 49 GLU N N 49 124.954 127.295 -2.341 1
1 598 . 2 1 1 A 50 50 SER H H 50 9.220 7.975 1.245 1
1 599 . 2 1 1 A 50 50 SER HA H 50 4.154 4.274 -0.120 1
1 602 . 2 1 1 A 50 50 SER C C 50 176.751 175.832 0.919 1
1 603 . 2 1 1 A 50 50 SER CA C 50 60.230 60.847 -0.617 1
1 604 . 2 1 1 A 50 50 SER CB C 50 62.229 63.018 -0.789 1
1 605 . 2 1 1 A 50 50 SER N N 50 112.186 114.362 -2.176 1
1 606 . 2 1 1 A 51 51 THR H H 51 6.784 7.871 -1.087 1
1 607 . 2 1 1 A 51 51 THR HA H 51 4.520 4.599 -0.079 1
1 612 . 2 1 1 A 51 51 THR C C 51 176.342 175.073 1.269 1
1 613 . 2 1 1 A 51 51 THR CA C 51 60.760 62.899 -2.139 1
1 614 . 2 1 1 A 51 51 THR CB C 51 71.046 71.500 -0.454 1
1 616 . 2 1 1 A 51 51 THR N N 51 105.653 113.040 -7.387 1
1 617 . 2 1 1 A 52 52 GLY H H 52 8.296 9.070 -0.774 1
1 618 . 2 1 1 A 52 52 GLY HA2 H 52 3.680 3.955 -0.275 1
1 619 . 2 1 1 A 52 52 GLY HA3 H 52 4.096 3.970 0.126 1
1 620 . 2 1 1 A 52 52 GLY C C 52 173.336 174.361 -1.025 1
1 621 . 2 1 1 A 52 52 GLY CA C 52 45.711 45.207 0.504 1
1 622 . 2 1 1 A 52 52 GLY N N 52 112.483 109.720 2.763 1
1 623 . 2 1 1 A 53 53 LYS H H 53 7.479 7.635 -0.156 1
1 624 . 2 1 1 A 53 53 LYS HA H 53 4.218 4.283 -0.065 1
1 633 . 2 1 1 A 53 53 LYS C C 53 176.513 175.725 0.788 1
1 634 . 2 1 1 A 53 53 LYS CA C 53 56.217 56.082 0.135 1
1 635 . 2 1 1 A 53 53 LYS CB C 53 33.430 32.365 1.065 1
1 639 . 2 1 1 A 53 53 LYS N N 53 119.609 119.981 -0.372 1
1 640 . 2 1 1 A 54 54 VAL H H 54 8.511 8.224 0.287 1
1 641 . 2 1 1 A 54 54 VAL HA H 54 4.244 4.040 0.204 1
1 649 . 2 1 1 A 54 54 VAL C C 54 176.879 176.067 0.812 1
1 650 . 2 1 1 A 54 54 VAL CA C 54 62.409 62.499 -0.090 1
1 651 . 2 1 1 A 54 54 VAL CB C 54 32.697 32.906 -0.209 1
1 654 . 2 1 1 A 54 54 VAL N N 54 126.109 125.573 0.536 1
1 655 . 2 1 1 A 55 55 PHE H H 55 8.325 8.357 -0.032 1
1 656 . 2 1 1 A 55 55 PHE HA H 55 5.036 4.772 0.264 1
1 664 . 2 1 1 A 55 55 PHE C C 55 174.856 174.273 0.583 1
1 665 . 2 1 1 A 55 55 PHE CA C 55 55.758 57.936 -2.178 1
1 666 . 2 1 1 A 55 55 PHE CB C 55 40.399 38.769 1.630 1
1 667 . 2 1 1 A 55 55 PHE N N 55 124.063 126.598 -2.535 1
1 668 . 2 1 1 A 56 56 ASP H H 56 6.884 8.684 -1.800 1
1 669 . 2 1 1 A 56 56 ASP HA H 56 4.801 5.294 -0.493 1
1 672 . 2 1 1 A 56 56 ASP C C 56 173.688 174.711 -1.023 1
1 673 . 2 1 1 A 56 56 ASP CA C 56 54.956 52.845 2.111 1
1 674 . 2 1 1 A 56 56 ASP CB C 56 43.616 41.677 1.939 1
1 675 . 2 1 1 A 56 56 ASP N N 56 120.500 126.873 -6.373 1
1 676 . 2 1 1 A 57 57 SER H H 57 8.038 8.675 -0.637 1
1 677 . 2 1 1 A 57 57 SER HA H 57 4.796 5.094 -0.298 1
1 680 . 2 1 1 A 57 57 SER C C 57 174.997 174.218 0.779 1
1 681 . 2 1 1 A 57 57 SER CA C 57 55.792 55.958 -0.166 1
1 682 . 2 1 1 A 57 57 SER CB C 57 64.961 65.597 -0.636 1
1 683 . 2 1 1 A 57 57 SER N N 57 118.421 120.995 -2.574 1
1 684 . 2 1 1 A 58 58 SER H H 58 8.429 9.007 -0.578 1
1 685 . 2 1 1 A 58 58 SER HA H 58 4.080 3.920 0.160 1
1 688 . 2 1 1 A 58 58 SER C C 58 177.399 175.951 1.448 1
1 689 . 2 1 1 A 58 58 SER CA C 58 61.499 62.347 -0.848 1
1 690 . 2 1 1 A 58 58 SER CB C 58 65.069 62.425 2.644 1
1 691 . 2 1 1 A 58 58 SER N N 58 123.766 120.236 3.530 1
1 692 . 2 1 1 A 59 59 PHE H H 59 7.276 7.395 -0.119 1
1 693 . 2 1 1 A 59 59 PHE HA H 59 3.851 4.431 -0.580 1
1 701 . 2 1 1 A 59 59 PHE C C 59 178.929 178.134 0.795 1
1 702 . 2 1 1 A 59 59 PHE CA C 59 61.010 59.867 1.143 1
1 703 . 2 1 1 A 59 59 PHE CB C 59 38.129 39.870 -1.741 1
1 704 . 2 1 1 A 59 59 PHE N N 59 121.845 119.128 2.717 1
1 705 . 2 1 1 A 60 60 ASP H H 60 7.534 8.713 -1.179 1
1 706 . 2 1 1 A 60 60 ASP HA H 60 4.343 4.230 0.113 1
1 709 . 2 1 1 A 60 60 ASP C C 60 177.295 178.101 -0.806 1
1 710 . 2 1 1 A 60 60 ASP CA C 60 56.921 57.245 -0.324 1
1 711 . 2 1 1 A 60 60 ASP CB C 60 40.298 40.387 -0.089 1
1 712 . 2 1 1 A 60 60 ASP N N 60 119.015 118.696 0.319 1
1 713 . 2 1 1 A 61 61 ARG H H 61 7.224 8.558 -1.334 1
1 714 . 2 1 1 A 61 61 ARG HA H 61 4.378 4.155 0.223 1
1 721 . 2 1 1 A 61 61 ARG C C 61 175.798 177.308 -1.510 1
1 722 . 2 1 1 A 61 61 ARG CA C 61 55.209 57.785 -2.576 1
1 723 . 2 1 1 A 61 61 ARG CB C 61 32.610 30.263 2.347 1
1 726 . 2 1 1 A 61 61 ARG N N 61 115.452 118.296 -2.844 1
1 727 . 2 1 1 A 62 62 ASN H H 62 7.946 8.681 -0.735 1
1 728 . 2 1 1 A 62 62 ASN HA H 62 4.392 5.036 -0.644 1
1 733 . 2 1 1 A 62 62 ASN C C 62 173.776 174.065 -0.289 1
1 734 . 2 1 1 A 62 62 ASN CA C 62 54.269 54.811 -0.542 1
1 735 . 2 1 1 A 62 62 ASN CB C 62 38.597 40.902 -2.305 1
1 737 . 2 1 1 A 62 62 ASN N N 62 115.196 117.754 -2.558 1
1 739 . 2 1 1 A 63 63 VAL H H 63 7.278 8.020 -0.742 1
1 740 . 2 1 1 A 63 63 VAL HA H 63 4.628 4.497 0.131 1
1 748 . 2 1 1 A 63 63 VAL CA C 63 62.601 59.156 3.445 1
1 749 . 2 1 1 A 63 63 VAL CB C 63 35.186 34.999 0.187 1
1 752 . 2 1 1 A 63 63 VAL N N 63 115.155 115.953 -0.798 1
1 753 . 2 1 1 A 64 64 PRO HA H 64 4.516 4.572 -0.056 1
1 760 . 2 1 1 A 64 64 PRO C C 64 174.254 175.955 -1.701 1
1 761 . 2 1 1 A 64 64 PRO CA C 64 62.601 62.288 0.313 1
1 762 . 2 1 1 A 64 64 PRO CB C 64 31.977 32.190 -0.213 1
1 765 . 2 1 1 A 65 65 PHE H H 65 9.109 8.407 0.702 1
1 766 . 2 1 1 A 65 65 PHE HA H 65 4.821 4.873 -0.052 1
1 774 . 2 1 1 A 65 65 PHE C C 65 173.320 174.656 -1.336 1
1 775 . 2 1 1 A 65 65 PHE CA C 65 57.292 57.811 -0.519 1
1 776 . 2 1 1 A 65 65 PHE CB C 65 42.894 41.059 1.835 1
1 777 . 2 1 1 A 65 65 PHE N N 65 123.469 122.505 0.964 1
1 778 . 2 1 1 A 66 66 LYS H H 66 7.474 8.177 -0.703 1
1 779 . 2 1 1 A 66 66 LYS HA H 66 5.378 4.949 0.429 1
1 788 . 2 1 1 A 66 66 LYS C C 66 175.026 174.392 0.634 1
1 789 . 2 1 1 A 66 66 LYS CA C 66 53.876 54.043 -0.167 1
1 790 . 2 1 1 A 66 66 LYS CB C 66 35.471 36.084 -0.613 1
1 794 . 2 1 1 A 66 66 LYS N N 66 125.548 122.033 3.515 1
1 795 . 2 1 1 A 67 67 PHE H H 67 8.114 8.121 -0.007 1
1 796 . 2 1 1 A 67 67 PHE HA H 67 4.469 5.183 -0.714 1
1 804 . 2 1 1 A 67 67 PHE C C 67 172.049 172.798 -0.749 1
1 805 . 2 1 1 A 67 67 PHE CA C 67 55.662 55.077 0.585 1
1 806 . 2 1 1 A 67 67 PHE CB C 67 40.087 41.674 -1.587 1
1 807 . 2 1 1 A 67 67 PHE N N 67 115.419 116.872 -1.453 1
1 808 . 2 1 1 A 68 68 HIS H H 68 8.983 8.923 0.060 1
1 809 . 2 1 1 A 68 68 HIS HA H 68 5.482 5.203 0.279 1
1 812 . 2 1 1 A 68 68 HIS C C 68 174.742 174.710 0.032 1
1 813 . 2 1 1 A 68 68 HIS CA C 68 55.348 54.154 1.194 1
1 814 . 2 1 1 A 68 68 HIS CB C 68 28.470 32.750 -4.280 1
1 815 . 2 1 1 A 68 68 HIS N N 68 118.421 115.659 2.762 1
1 816 . 2 1 1 A 69 69 LEU H H 69 8.317 8.731 -0.414 1
1 817 . 2 1 1 A 69 69 LEU HA H 69 4.016 4.411 -0.395 1
1 827 . 2 1 1 A 69 69 LEU CA C 69 56.060 55.767 0.293 1
1 828 . 2 1 1 A 69 69 LEU CB C 69 42.903 42.413 0.490 1
1 832 . 2 1 1 A 69 69 LEU N N 69 126.736 124.534 2.202 1
1 833 . 2 1 1 A 70 70 GLU H H 70 9.618 9.087 0.531 1
1 834 . 2 1 1 A 70 70 GLU HA H 70 3.847 4.028 -0.181 1
1 839 . 2 1 1 A 70 70 GLU C C 70 174.818 177.293 -2.475 1
1 840 . 2 1 1 A 70 70 GLU CA C 70 58.625 57.302 1.323 1
1 841 . 2 1 1 A 70 70 GLU CB C 70 27.456 28.189 -0.733 1
1 843 . 2 1 1 A 70 70 GLU N N 70 124.954 126.285 -1.331 1
1 844 . 2 1 1 A 71 71 GLN H H 71 8.248 8.191 0.057 1
1 845 . 2 1 1 A 71 71 GLN HA H 71 4.678 4.444 0.234 1
1 852 . 2 1 1 A 71 71 GLN CA C 71 54.218 54.697 -0.479 1
1 853 . 2 1 1 A 71 71 GLN CB C 71 30.422 28.476 1.946 1
1 856 . 2 1 1 A 71 71 GLN N N 71 114.858 119.283 -4.425 1
1 858 . 2 1 1 A 72 72 GLY H H 72 8.362 7.664 0.698 1
1 859 . 2 1 1 A 72 72 GLY HA2 H 72 4.145 4.049 0.096 1
1 860 . 2 1 1 A 72 72 GLY HA3 H 72 4.059 4.051 0.008 1
1 861 . 2 1 1 A 72 72 GLY C C 72 175.783 175.685 0.098 1
1 862 . 2 1 1 A 72 72 GLY CA C 72 46.838 45.422 1.416 1
1 863 . 2 1 1 A 72 72 GLY N N 72 110.404 109.579 0.825 1
1 864 . 2 1 1 A 73 73 GLU H H 73 9.085 7.936 1.149 1
1 865 . 2 1 1 A 73 73 GLU HA H 73 4.187 4.544 -0.357 1
1 870 . 2 1 1 A 73 73 GLU C C 73 175.522 176.226 -0.704 1
1 871 . 2 1 1 A 73 73 GLU CA C 73 57.443 56.748 0.695 1
1 872 . 2 1 1 A 73 73 GLU CB C 73 31.378 30.207 1.171 1
1 874 . 2 1 1 A 73 73 GLU N N 73 118.421 117.982 0.439 1
1 875 . 2 1 1 A 74 74 VAL H H 74 6.862 7.376 -0.514 1
1 876 . 2 1 1 A 74 74 VAL HA H 74 4.281 4.486 -0.205 1
1 884 . 2 1 1 A 74 74 VAL C C 74 175.773 175.391 0.382 1
1 885 . 2 1 1 A 74 74 VAL CA C 74 57.468 60.447 -2.979 1
1 886 . 2 1 1 A 74 74 VAL CB C 74 36.344 34.008 2.336 1
1 889 . 2 1 1 A 74 74 VAL N N 74 108.919 113.903 -4.984 1
1 890 . 2 1 1 A 75 75 ILE H H 75 7.462 9.296 -1.834 1
1 891 . 2 1 1 A 75 75 ILE HA H 75 3.844 4.323 -0.479 1
1 901 . 2 1 1 A 75 75 ILE C C 75 177.618 177.362 0.256 1
1 902 . 2 1 1 A 75 75 ILE CA C 75 62.213 62.437 -0.224 1
1 903 . 2 1 1 A 75 75 ILE CB C 75 37.337 38.508 -1.171 1
1 907 . 2 1 1 A 75 75 ILE N N 75 113.373 123.705 -10.332 1
1 908 . 2 1 1 A 76 76 LYS H H 76 9.047 8.131 0.916 1
1 909 . 2 1 1 A 76 76 LYS HA H 76 4.282 4.398 -0.116 1
1 918 . 2 1 1 A 76 76 LYS C C 76 180.009 178.394 1.615 1
1 919 . 2 1 1 A 76 76 LYS CA C 76 59.482 57.458 2.024 1
1 920 . 2 1 1 A 76 76 LYS CB C 76 32.740 34.246 -1.506 1
1 924 . 2 1 1 A 76 76 LYS N N 76 124.954 121.289 3.665 1
1 925 . 2 1 1 A 77 77 GLY H H 77 9.775 8.091 1.684 1
1 926 . 2 1 1 A 77 77 GLY HA2 H 77 3.786 3.302 0.484 1
1 927 . 2 1 1 A 77 77 GLY HA3 H 77 3.618 3.416 0.202 1
1 928 . 2 1 1 A 77 77 GLY C C 77 175.261 176.484 -1.223 1
1 929 . 2 1 1 A 77 77 GLY CA C 77 47.402 47.135 0.267 1
1 930 . 2 1 1 A 77 77 GLY N N 77 101.199 106.260 -5.061 1
1 931 . 2 1 1 A 78 78 TRP H H 78 7.817 7.676 0.141 1
1 932 . 2 1 1 A 78 78 TRP HA H 78 4.017 4.844 -0.827 1
1 940 . 2 1 1 A 78 78 TRP C C 78 177.610 178.096 -0.486 1
1 941 . 2 1 1 A 78 78 TRP CA C 78 61.524 60.101 1.423 1
1 942 . 2 1 1 A 78 78 TRP CB C 78 28.655 28.999 -0.344 1
1 943 . 2 1 1 A 78 78 TRP N N 78 120.203 122.338 -2.135 1
1 944 . 2 1 1 A 79 79 ASP H H 79 6.967 8.304 -1.337 1
1 945 . 2 1 1 A 79 79 ASP HA H 79 4.738 4.428 0.310 1
1 948 . 2 1 1 A 79 79 ASP C C 79 179.125 179.041 0.084 1
1 949 . 2 1 1 A 79 79 ASP CA C 79 58.492 57.604 0.888 1
1 950 . 2 1 1 A 79 79 ASP CB C 79 41.181 41.630 -0.449 1
1 951 . 2 1 1 A 79 79 ASP N N 79 121.688 119.779 1.909 1
1 952 . 2 1 1 A 80 80 ILE H H 80 8.173 7.728 0.445 1
1 953 . 2 1 1 A 80 80 ILE HA H 80 3.617 3.704 -0.087 1
1 963 . 2 1 1 A 80 80 ILE C C 80 177.849 177.715 0.134 1
1 964 . 2 1 1 A 80 80 ILE CA C 80 64.758 65.205 -0.447 1
1 965 . 2 1 1 A 80 80 ILE CB C 80 39.198 37.707 1.491 1
1 969 . 2 1 1 A 80 80 ILE N N 80 118.125 119.030 -0.905 1
1 970 . 2 1 1 A 81 81 CYS H H 81 7.961 7.825 0.136 1
1 971 . 2 1 1 A 81 81 CYS HA H 81 4.456 4.220 0.236 1
1 974 . 2 1 1 A 81 81 CYS C C 81 178.812 177.072 1.740 1
1 975 . 2 1 1 A 81 81 CYS CA C 81 63.059 62.612 0.447 1
1 976 . 2 1 1 A 81 81 CYS CB C 81 27.732 26.733 0.999 1
1 977 . 2 1 1 A 81 81 CYS N N 81 116.937 121.090 -4.153 1
1 978 . 2 1 1 A 82 82 VAL H H 82 9.434 8.335 1.099 1
1 979 . 2 1 1 A 82 82 VAL HA H 82 3.476 3.878 -0.402 1
1 987 . 2 1 1 A 82 82 VAL C C 82 176.456 177.672 -1.216 1
1 988 . 2 1 1 A 82 82 VAL CA C 82 66.977 65.041 1.936 1
1 989 . 2 1 1 A 82 82 VAL CB C 82 30.171 31.726 -1.555 1
1 992 . 2 1 1 A 82 82 VAL N N 82 121.688 119.196 2.492 1
1 993 . 2 1 1 A 83 83 SER H H 83 7.541 7.670 -0.129 1
1 994 . 2 1 1 A 83 83 SER HA H 83 3.964 4.839 -0.875 1
1 997 . 2 1 1 A 83 83 SER C C 83 173.661 174.840 -1.179 1
1 998 . 2 1 1 A 83 83 SER CA C 83 61.551 59.823 1.728 1
1 999 . 2 1 1 A 83 83 SER CB C 83 63.239 63.523 -0.284 1
1 1000 . 2 1 1 A 83 83 SER N N 83 111.889 117.139 -5.250 1
1 1001 . 2 1 1 A 84 84 SER H H 84 7.471 7.799 -0.328 1
1 1002 . 2 1 1 A 84 84 SER HA H 84 4.530 4.651 -0.121 1
1 1005 . 2 1 1 A 84 84 SER C C 84 174.314 173.503 0.811 1
1 1006 . 2 1 1 A 84 84 SER CA C 84 58.440 57.291 1.149 1
1 1007 . 2 1 1 A 84 84 SER CB C 84 65.929 63.417 2.512 1
1 1008 . 2 1 1 A 84 84 SER N N 84 114.264 111.653 2.611 1
1 1009 . 2 1 1 A 85 85 MET H H 85 7.441 7.578 -0.137 1
1 1010 . 2 1 1 A 85 85 MET HA H 85 4.262 5.025 -0.763 1
1 1015 . 2 1 1 A 85 85 MET C C 85 172.768 174.751 -1.983 1
1 1016 . 2 1 1 A 85 85 MET CA C 85 56.502 53.922 2.580 1
1 1017 . 2 1 1 A 85 85 MET CB C 85 36.378 36.847 -0.469 1
1 1019 . 2 1 1 A 85 85 MET N N 85 124.657 120.701 3.956 1
1 1020 . 2 1 1 A 86 86 ARG H H 86 7.045 8.631 -1.586 1
1 1021 . 2 1 1 A 86 86 ARG HA H 86 4.879 4.912 -0.033 1
1 1028 . 2 1 1 A 86 86 ARG C C 86 177.468 176.042 1.426 1
1 1029 . 2 1 1 A 86 86 ARG CA C 86 53.395 53.820 -0.425 1
1 1030 . 2 1 1 A 86 86 ARG CB C 86 33.244 33.361 -0.117 1
1 1033 . 2 1 1 A 86 86 ARG N N 86 114.264 121.282 -7.018 1
1 1034 . 2 1 1 A 87 87 LYS H H 87 8.818 8.822 -0.004 1
1 1035 . 2 1 1 A 87 87 LYS HA H 87 3.554 3.727 -0.173 1
1 1044 . 2 1 1 A 87 87 LYS C C 87 175.382 177.288 -1.906 1
1 1045 . 2 1 1 A 87 87 LYS CA C 87 60.175 58.352 1.823 1
1 1046 . 2 1 1 A 87 87 LYS CB C 87 33.195 32.492 0.703 1
1 1050 . 2 1 1 A 87 87 LYS N N 87 121.391 125.873 -4.482 1
1 1051 . 2 1 1 A 88 88 ASN H H 88 8.943 7.775 1.168 1
1 1052 . 2 1 1 A 88 88 ASN HA H 88 4.291 4.984 -0.693 1
1 1057 . 2 1 1 A 88 88 ASN C C 88 174.124 173.863 0.261 1
1 1058 . 2 1 1 A 88 88 ASN CA C 88 56.703 52.938 3.765 1
1 1059 . 2 1 1 A 88 88 ASN CB C 88 36.677 40.081 -3.404 1
1 1060 . 2 1 1 A 88 88 ASN N N 88 116.640 114.838 1.802 1
1 1062 . 2 1 1 A 89 89 GLU H H 89 8.677 7.455 1.222 1
1 1063 . 2 1 1 A 89 89 GLU HA H 89 4.358 5.225 -0.867 1
1 1068 . 2 1 1 A 89 89 GLU C C 89 174.903 174.416 0.487 1
1 1069 . 2 1 1 A 89 89 GLU CA C 89 56.190 54.800 1.390 1
1 1070 . 2 1 1 A 89 89 GLU CB C 89 33.096 33.044 0.052 1
1 1072 . 2 1 1 A 89 89 GLU N N 89 122.876 120.720 2.156 1
1 1073 . 2 1 1 A 90 90 LYS H H 90 8.580 9.039 -0.459 1
1 1074 . 2 1 1 A 90 90 LYS HA H 90 5.542 5.335 0.207 1
1 1083 . 2 1 1 A 90 90 LYS C C 90 175.593 174.844 0.749 1
1 1084 . 2 1 1 A 90 90 LYS CA C 90 54.210 55.085 -0.875 1
1 1085 . 2 1 1 A 90 90 LYS CB C 90 36.189 36.266 -0.077 1
1 1089 . 2 1 1 A 90 90 LYS N N 90 123.469 126.791 -3.322 1
1 1090 . 2 1 1 A 91 91 CYS H H 91 9.673 8.703 0.970 1
1 1091 . 2 1 1 A 91 91 CYS HA H 91 5.524 4.979 0.545 1
1 1094 . 2 1 1 A 91 91 CYS C C 91 170.527 173.097 -2.570 1
1 1095 . 2 1 1 A 91 91 CYS CA C 91 54.690 56.469 -1.779 1
1 1096 . 2 1 1 A 91 91 CYS CB C 91 32.542 31.153 1.389 1
1 1097 . 2 1 1 A 91 91 CYS N N 91 122.579 122.692 -0.113 1
1 1098 . 2 1 1 A 92 92 LEU H H 92 8.984 8.929 0.055 1
1 1099 . 2 1 1 A 92 92 LEU HA H 92 5.458 5.043 0.415 1
1 1109 . 2 1 1 A 92 92 LEU C C 92 175.596 175.764 -0.168 1
1 1110 . 2 1 1 A 92 92 LEU CA C 92 53.413 53.603 -0.190 1
1 1111 . 2 1 1 A 92 92 LEU CB C 92 44.972 42.341 2.631 1
1 1115 . 2 1 1 A 92 92 LEU N N 92 122.282 121.894 0.388 1
1 1116 . 2 1 1 A 93 93 VAL H H 93 10.107 9.237 0.870 1
1 1117 . 2 1 1 A 93 93 VAL HA H 93 5.506 4.772 0.734 1
1 1125 . 2 1 1 A 93 93 VAL C C 93 171.051 174.229 -3.178 1
1 1126 . 2 1 1 A 93 93 VAL CA C 93 58.200 60.050 -1.850 1
1 1127 . 2 1 1 A 93 93 VAL CB C 93 35.276 33.840 1.436 1
1 1130 . 2 1 1 A 93 93 VAL N N 93 126.224 125.976 0.248 1
1 1131 . 2 1 1 A 94 94 ARG H H 94 8.949 9.107 -0.158 1
1 1132 . 2 1 1 A 94 94 ARG HA H 94 5.133 4.756 0.377 1
1 1139 . 2 1 1 A 94 94 ARG C C 94 175.823 175.152 0.671 1
1 1140 . 2 1 1 A 94 94 ARG CA C 94 56.219 55.599 0.620 1
1 1141 . 2 1 1 A 94 94 ARG CB C 94 32.039 30.832 1.207 1
1 1144 . 2 1 1 A 94 94 ARG N N 94 130.596 127.422 3.174 1
1 1145 . 2 1 1 A 95 95 ILE H H 95 9.655 8.851 0.804 1
1 1146 . 2 1 1 A 95 95 ILE HA H 95 4.899 4.556 0.343 1
1 1156 . 2 1 1 A 95 95 ILE C C 95 175.215 175.342 -0.127 1
1 1157 . 2 1 1 A 95 95 ILE CA C 95 60.582 60.744 -0.162 1
1 1158 . 2 1 1 A 95 95 ILE CB C 95 37.359 37.568 -0.209 1
1 1162 . 2 1 1 A 95 95 ILE N N 95 129.905 126.580 3.325 1
1 1163 . 2 1 1 A 96 96 GLU H H 96 9.213 8.740 0.473 1
1 1164 . 2 1 1 A 96 96 GLU HA H 96 4.320 4.348 -0.028 1
1 1169 . 2 1 1 A 96 96 GLU C C 96 177.897 177.386 0.511 1
1 1170 . 2 1 1 A 96 96 GLU CA C 96 57.568 55.724 1.844 1
1 1171 . 2 1 1 A 96 96 GLU CB C 96 29.676 30.596 -0.920 1
1 1173 . 2 1 1 A 96 96 GLU N N 96 126.439 128.566 -2.127 1
1 1174 . 2 1 1 A 97 97 SER H H 97 8.693 8.722 -0.029 1
1 1175 . 2 1 1 A 97 97 SER HA H 97 4.370 4.096 0.274 1
1 1178 . 2 1 1 A 97 97 SER C C 97 178.668 175.946 2.722 1
1 1179 . 2 1 1 A 97 97 SER CA C 97 62.800 61.823 0.977 1
1 1180 . 2 1 1 A 97 97 SER CB C 97 64.591 62.849 1.742 1
1 1181 . 2 1 1 A 97 97 SER N N 97 115.749 119.881 -4.132 1
1 1182 . 2 1 1 A 98 98 MET H H 98 8.937 8.382 0.555 1
1 1183 . 2 1 1 A 98 98 MET HA H 98 4.170 4.296 -0.126 1
1 1188 . 2 1 1 A 98 98 MET C C 98 179.250 176.422 2.828 1
1 1189 . 2 1 1 A 98 98 MET CA C 98 58.702 57.174 1.528 1
1 1190 . 2 1 1 A 98 98 MET CB C 98 31.047 32.009 -0.962 1
1 1192 . 2 1 1 A 98 98 MET N N 98 121.985 119.241 2.744 1
1 1193 . 2 1 1 A 99 99 TYR H H 99 7.927 7.844 0.083 1
1 1194 . 2 1 1 A 99 99 TYR HA H 99 4.435 4.567 -0.132 1
1 1201 . 2 1 1 A 99 99 TYR C C 99 173.125 175.648 -2.523 1
1 1202 . 2 1 1 A 99 99 TYR CA C 99 58.064 58.623 -0.559 1
1 1203 . 2 1 1 A 99 99 TYR CB C 99 39.570 38.676 0.894 1
1 1204 . 2 1 1 A 99 99 TYR N N 99 116.640 117.961 -1.321 1
1 1205 . 2 1 1 A 100 100 GLY H H 100 7.802 7.669 0.133 1
1 1206 . 2 1 1 A 100 100 GLY HA2 H 100 3.223 4.109 -0.886 1
1 1207 . 2 1 1 A 100 100 GLY HA3 H 100 4.309 4.188 0.121 1
1 1208 . 2 1 1 A 100 100 GLY C C 100 173.213 174.663 -1.450 1
1 1209 . 2 1 1 A 100 100 GLY CA C 100 45.062 43.884 1.178 1
1 1210 . 2 1 1 A 100 100 GLY N N 100 110.998 107.931 3.067 1
1 1211 . 2 1 1 A 101 101 TYR H H 101 9.407 8.952 0.455 1
1 1212 . 2 1 1 A 101 101 TYR HA H 101 4.443 4.318 0.125 1
1 1219 . 2 1 1 A 101 101 TYR C C 101 176.014 176.239 -0.225 1
1 1220 . 2 1 1 A 101 101 TYR CA C 101 58.944 61.145 -2.201 1
1 1221 . 2 1 1 A 101 101 TYR CB C 101 37.732 39.325 -1.593 1
1 1222 . 2 1 1 A 101 101 TYR N N 101 126.439 119.179 7.260 1
1 1223 . 2 1 1 A 102 102 GLY H H 102 8.231 7.933 0.298 1
1 1224 . 2 1 1 A 102 102 GLY HA2 H 102 4.001 4.135 -0.134 1
1 1225 . 2 1 1 A 102 102 GLY HA3 H 102 3.715 4.142 -0.427 1
1 1226 . 2 1 1 A 102 102 GLY C C 102 175.685 174.416 1.269 1
1 1227 . 2 1 1 A 102 102 GLY CA C 102 46.447 44.236 2.211 1
1 1228 . 2 1 1 A 102 102 GLY N N 102 107.138 105.896 1.242 1
1 1229 . 2 1 1 A 103 103 ASP H H 103 8.983 9.491 -0.508 1
1 1230 . 2 1 1 A 103 103 ASP HA H 103 4.277 4.527 -0.250 1
1 1233 . 2 1 1 A 103 103 ASP C C 103 176.677 177.352 -0.675 1
1 1234 . 2 1 1 A 103 103 ASP CA C 103 56.352 56.175 0.177 1
1 1235 . 2 1 1 A 103 103 ASP CB C 103 40.640 40.823 -0.183 1
1 1236 . 2 1 1 A 103 103 ASP N N 103 124.954 121.250 3.704 1
1 1237 . 2 1 1 A 104 104 GLU H H 104 8.552 7.908 0.644 1
1 1238 . 2 1 1 A 104 104 GLU HA H 104 4.139 4.429 -0.290 1
1 1243 . 2 1 1 A 104 104 GLU C C 104 179.142 176.452 2.690 1
1 1244 . 2 1 1 A 104 104 GLU CA C 104 58.100 55.998 2.102 1
1 1245 . 2 1 1 A 104 104 GLU CB C 104 30.076 30.225 -0.149 1
1 1247 . 2 1 1 A 104 104 GLU N N 104 117.531 118.315 -0.784 1
1 1248 . 2 1 1 A 105 105 GLY H H 105 7.188 7.653 -0.465 1
1 1249 . 2 1 1 A 105 105 GLY HA2 H 105 3.137 4.232 -1.095 1
1 1250 . 2 1 1 A 105 105 GLY HA3 H 105 4.012 4.349 -0.337 1
1 1251 . 2 1 1 A 105 105 GLY C C 105 171.730 173.045 -1.315 1
1 1252 . 2 1 1 A 105 105 GLY CA C 105 44.214 44.963 -0.749 1
1 1253 . 2 1 1 A 105 105 GLY N N 105 104.168 108.817 -4.649 1
1 1254 . 2 1 1 A 106 106 CYS H H 106 9.026 8.462 0.564 1
1 1255 . 2 1 1 A 106 106 CYS HA H 106 4.253 4.590 -0.337 1
1 1258 . 2 1 1 A 106 106 CYS C C 106 173.438 174.931 -1.493 1
1 1259 . 2 1 1 A 106 106 CYS CA C 106 57.814 59.661 -1.847 1
1 1260 . 2 1 1 A 106 106 CYS CB C 106 26.162 27.305 -1.143 1
1 1261 . 2 1 1 A 106 106 CYS N N 106 121.949 119.788 2.161 1
1 1262 . 2 1 1 A 107 107 GLY H H 107 8.584 8.691 -0.107 1
1 1263 . 2 1 1 A 107 107 GLY HA2 H 107 3.706 4.242 -0.536 1
1 1264 . 2 1 1 A 107 107 GLY HA3 H 107 3.954 4.255 -0.301 1
1 1265 . 2 1 1 A 107 107 GLY C C 107 173.461 174.785 -1.324 1
1 1266 . 2 1 1 A 107 107 GLY CA C 107 45.258 44.570 0.688 1
1 1267 . 2 1 1 A 107 107 GLY N N 107 114.561 113.186 1.375 1
1 1268 . 2 1 1 A 108 108 GLU H H 108 8.503 9.000 -0.497 1
1 1269 . 2 1 1 A 108 108 GLU HA H 108 4.051 4.071 -0.020 1
1 1274 . 2 1 1 A 108 108 GLU C C 108 178.118 178.101 0.017 1
1 1275 . 2 1 1 A 108 108 GLU CA C 108 57.478 59.306 -1.828 1
1 1276 . 2 1 1 A 108 108 GLU CB C 108 29.835 30.409 -0.574 1
1 1278 . 2 1 1 A 108 108 GLU N N 108 119.609 122.106 -2.497 1
1 1279 . 2 1 1 A 109 109 SER H H 109 8.082 7.935 0.147 1
1 1280 . 2 1 1 A 109 109 SER HA H 109 4.127 4.405 -0.278 1
1 1283 . 2 1 1 A 109 109 SER C C 109 173.569 174.617 -1.048 1
1 1284 . 2 1 1 A 109 109 SER CA C 109 60.141 60.210 -0.069 1
1 1285 . 2 1 1 A 109 109 SER CB C 109 63.935 63.731 0.204 1
1 1286 . 2 1 1 A 109 109 SER N N 109 112.186 112.509 -0.323 1
1 1287 . 2 1 1 A 110 110 ILE H H 110 6.570 8.034 -1.464 1
1 1288 . 2 1 1 A 110 110 ILE HA H 110 4.235 4.539 -0.304 1
1 1298 . 2 1 1 A 110 110 ILE CA C 110 58.031 57.443 0.588 1
1 1299 . 2 1 1 A 110 110 ILE CB C 110 39.086 40.443 -1.357 1
1 1303 . 2 1 1 A 110 110 ILE N N 110 116.937 116.532 0.405 1
1 1304 . 2 1 1 A 111 111 PRO HA H 111 4.510 4.473 0.037 1
1 1311 . 2 1 1 A 111 111 PRO C C 111 179.076 177.949 1.127 1
1 1312 . 2 1 1 A 111 111 PRO CA C 111 61.703 65.781 -4.078 1
1 1313 . 2 1 1 A 111 111 PRO CB C 111 32.729 31.577 1.152 1
1 1316 . 2 1 1 A 112 112 GLY H H 112 9.018 7.962 1.056 1
1 1317 . 2 1 1 A 112 112 GLY HA2 H 112 3.461 3.934 -0.473 1
1 1318 . 2 1 1 A 112 112 GLY HA3 H 112 3.714 3.938 -0.224 1
1 1319 . 2 1 1 A 112 112 GLY C C 112 172.723 174.397 -1.674 1
1 1320 . 2 1 1 A 112 112 GLY CA C 112 46.262 45.904 0.358 1
1 1321 . 2 1 1 A 112 112 GLY N N 112 111.592 108.491 3.101 1
1 1322 . 2 1 1 A 113 113 ASN H H 113 8.381 8.548 -0.167 1
1 1323 . 2 1 1 A 113 113 ASN HA H 113 4.278 4.383 -0.105 1
1 1328 . 2 1 1 A 113 113 ASN C C 113 174.643 173.969 0.674 1
1 1329 . 2 1 1 A 113 113 ASN CA C 113 54.388 54.399 -0.011 1
1 1330 . 2 1 1 A 113 113 ASN CB C 113 37.204 37.160 0.044 1
1 1331 . 2 1 1 A 113 113 ASN N N 113 116.937 112.373 4.564 1
1 1333 . 2 1 1 A 114 114 SER H H 114 7.617 7.678 -0.061 1
1 1334 . 2 1 1 A 114 114 SER HA H 114 4.517 4.892 -0.375 1
1 1337 . 2 1 1 A 114 114 SER C C 114 172.904 172.701 0.203 1
1 1338 . 2 1 1 A 114 114 SER CA C 114 59.864 57.211 2.653 1
1 1339 . 2 1 1 A 114 114 SER CB C 114 64.678 66.266 -1.588 1
1 1340 . 2 1 1 A 114 114 SER N N 114 113.077 112.836 0.241 1
1 1341 . 2 1 1 A 115 115 VAL H H 115 8.500 8.315 0.185 1
1 1342 . 2 1 1 A 115 115 VAL HA H 115 4.341 4.916 -0.575 1
1 1350 . 2 1 1 A 115 115 VAL C C 115 176.075 174.436 1.639 1
1 1351 . 2 1 1 A 115 115 VAL CA C 115 62.705 60.547 2.158 1
1 1352 . 2 1 1 A 115 115 VAL CB C 115 31.546 33.605 -2.059 1
1 1355 . 2 1 1 A 115 115 VAL N N 115 124.360 122.276 2.084 1
1 1356 . 2 1 1 A 116 116 LEU H H 116 9.104 9.371 -0.267 1
1 1357 . 2 1 1 A 116 116 LEU HA H 116 5.002 4.931 0.071 1
1 1367 . 2 1 1 A 116 116 LEU C C 116 174.923 175.318 -0.395 1
1 1368 . 2 1 1 A 116 116 LEU CA C 116 53.123 53.258 -0.135 1
1 1369 . 2 1 1 A 116 116 LEU CB C 116 45.379 45.918 -0.539 1
1 1373 . 2 1 1 A 116 116 LEU N N 116 128.814 129.465 -0.651 1
1 1374 . 2 1 1 A 117 117 LEU H H 117 9.009 7.942 1.067 1
1 1375 . 2 1 1 A 117 117 LEU HA H 117 5.601 5.309 0.292 1
1 1385 . 2 1 1 A 117 117 LEU C C 117 176.574 175.030 1.544 1
1 1386 . 2 1 1 A 117 117 LEU CA C 117 52.750 53.097 -0.347 1
1 1387 . 2 1 1 A 117 117 LEU CB C 117 44.693 45.475 -0.782 1
1 1391 . 2 1 1 A 117 117 LEU N N 117 121.391 117.015 4.376 1
1 1392 . 2 1 1 A 118 118 PHE H H 118 9.375 9.258 0.117 1
1 1393 . 2 1 1 A 118 118 PHE HA H 118 6.155 5.407 0.748 1
1 1401 . 2 1 1 A 118 118 PHE C C 118 176.518 175.793 0.725 1
1 1402 . 2 1 1 A 118 118 PHE CA C 118 55.411 56.201 -0.790 1
1 1403 . 2 1 1 A 118 118 PHE CB C 118 42.385 43.030 -0.645 1
1 1404 . 2 1 1 A 118 118 PHE N N 118 117.531 120.200 -2.669 1
1 1405 . 2 1 1 A 119 119 GLU H H 119 8.905 9.535 -0.630 1
1 1406 . 2 1 1 A 119 119 GLU HA H 119 5.604 4.782 0.822 1
1 1411 . 2 1 1 A 119 119 GLU C C 119 175.947 176.000 -0.053 1
1 1412 . 2 1 1 A 119 119 GLU CA C 119 60.489 56.925 3.564 1
1 1413 . 2 1 1 A 119 119 GLU CB C 119 31.189 30.451 0.738 1
1 1415 . 2 1 1 A 119 119 GLU N N 119 122.876 122.591 0.285 1
1 1416 . 2 1 1 A 120 120 ILE H H 120 8.912 8.932 -0.020 1
1 1417 . 2 1 1 A 120 120 ILE HA H 120 4.965 4.970 -0.005 1
1 1427 . 2 1 1 A 120 120 ILE C C 120 173.341 174.280 -0.939 1
1 1428 . 2 1 1 A 120 120 ILE CA C 120 60.568 60.292 0.276 1
1 1429 . 2 1 1 A 120 120 ILE CB C 120 41.927 38.599 3.328 1
1 1433 . 2 1 1 A 120 120 ILE N N 120 123.000 125.928 -2.928 1
1 1434 . 2 1 1 A 121 121 GLU H H 121 9.074 9.198 -0.124 1
1 1435 . 2 1 1 A 121 121 GLU HA H 121 5.445 5.033 0.412 1
1 1440 . 2 1 1 A 121 121 GLU C C 121 175.254 174.888 0.366 1
1 1441 . 2 1 1 A 121 121 GLU CA C 121 53.941 54.778 -0.837 1
1 1442 . 2 1 1 A 121 121 GLU CB C 121 33.897 31.976 1.921 1
1 1444 . 2 1 1 A 121 121 GLU N N 121 128.221 129.133 -0.912 1
1 1445 . 2 1 1 A 122 122 LEU H H 122 8.112 8.678 -0.566 1
1 1446 . 2 1 1 A 122 122 LEU HA H 122 4.680 4.331 0.349 1
1 1456 . 2 1 1 A 122 122 LEU C C 122 174.472 176.713 -2.241 1
1 1457 . 2 1 1 A 122 122 LEU CA C 122 54.403 53.898 0.505 1
1 1458 . 2 1 1 A 122 122 LEU CB C 122 40.796 40.799 -0.003 1
1 1462 . 2 1 1 A 122 122 LEU N N 122 127.033 128.374 -1.341 1
1 1463 . 2 1 1 A 123 123 LEU H H 123 8.704 8.599 0.105 1
1 1464 . 2 1 1 A 123 123 LEU HA H 123 4.385 4.483 -0.098 1
1 1474 . 2 1 1 A 123 123 LEU C C 123 177.614 177.217 0.397 1
1 1475 . 2 1 1 A 123 123 LEU CA C 123 57.095 55.211 1.884 1
1 1476 . 2 1 1 A 123 123 LEU CB C 123 42.226 42.696 -0.470 1
1 1480 . 2 1 1 A 123 123 LEU N N 123 128.814 122.982 5.832 1
1 1481 . 2 1 1 A 124 124 SER H H 124 7.602 7.488 0.114 1
1 1482 . 2 1 1 A 124 124 SER HA H 124 4.161 5.294 -1.133 1
1 1485 . 2 1 1 A 124 124 SER C C 124 171.375 173.285 -1.910 1
1 1486 . 2 1 1 A 124 124 SER CA C 124 57.545 57.667 -0.122 1
1 1487 . 2 1 1 A 124 124 SER CB C 124 63.359 65.954 -2.595 1
1 1488 . 2 1 1 A 124 124 SER N N 124 105.653 115.150 -9.497 1
1 1489 . 2 1 1 A 125 125 PHE H H 125 7.818 9.046 -1.228 1
1 1490 . 2 1 1 A 125 125 PHE HA H 125 5.451 5.207 0.244 1
1 1498 . 2 1 1 A 125 125 PHE C C 125 173.154 173.149 0.005 1
1 1499 . 2 1 1 A 125 125 PHE CA C 125 56.463 56.355 0.108 1
1 1500 . 2 1 1 A 125 125 PHE CB C 125 42.301 41.080 1.221 1
1 1501 . 2 1 1 A 125 125 PHE N N 125 113.373 121.154 -7.781 1
1 1502 . 2 1 1 A 126 126 ARG H H 126 8.934 8.856 0.078 1
1 1503 . 2 1 1 A 126 126 ARG HA H 126 4.693 4.727 -0.034 1
1 1510 . 2 1 1 A 126 126 ARG C C 126 174.013 173.841 0.172 1
1 1511 . 2 1 1 A 126 126 ARG CA C 126 54.654 54.654 0.000 1
1 1512 . 2 1 1 A 126 126 ARG CB C 126 33.064 34.354 -1.290 1
1 1515 . 2 1 1 A 126 126 ARG N N 126 116.046 117.866 -1.820 1
1 1516 . 2 1 1 A 127 127 GLU H H 127 8.665 8.504 0.161 1
1 1517 . 2 1 1 A 127 127 GLU HA H 127 4.436 4.999 -0.563 1
1 1522 . 2 1 1 A 127 127 GLU C C 127 176.050 175.062 0.988 1
1 1523 . 2 1 1 A 127 127 GLU CA C 127 55.552 55.290 0.262 1
1 1524 . 2 1 1 A 127 127 GLU CB C 127 30.600 33.736 -3.136 1
1 1 . 3 1 1 A 2 2 THR HA H 2 4.479 4.007 0.472 1
1 6 . 3 1 1 A 2 2 THR C C 2 174.348 173.347 1.001 1
1 7 . 3 1 1 A 2 2 THR CA C 2 61.838 63.534 -1.696 1
1 8 . 3 1 1 A 2 2 THR CB C 2 69.919 66.802 3.117 1
1 10 . 3 1 1 A 3 3 THR H H 3 8.289 7.853 0.436 1
1 11 . 3 1 1 A 3 3 THR HA H 3 4.282 4.448 -0.166 1
1 16 . 3 1 1 A 3 3 THR C C 3 174.404 174.239 0.165 1
1 17 . 3 1 1 A 3 3 THR CA C 3 62.140 61.859 0.281 1
1 18 . 3 1 1 A 3 3 THR CB C 3 69.658 68.797 0.861 1
1 20 . 3 1 1 A 3 3 THR N N 3 116.640 114.821 1.819 1
1 21 . 3 1 1 A 4 4 GLU H H 4 8.567 8.710 -0.143 1
1 22 . 3 1 1 A 4 4 GLU HA H 4 4.156 4.198 -0.042 1
1 27 . 3 1 1 A 4 4 GLU C C 4 176.216 175.070 1.146 1
1 28 . 3 1 1 A 4 4 GLU CA C 4 56.929 58.257 -1.328 1
1 29 . 3 1 1 A 4 4 GLU CB C 4 29.821 28.944 0.877 1
1 31 . 3 1 1 A 4 4 GLU N N 4 123.469 120.774 2.695 1
1 32 . 3 1 1 A 5 5 GLN H H 5 8.222 9.094 -0.872 1
1 33 . 3 1 1 A 5 5 GLN HA H 5 4.167 4.798 -0.631 1
1 40 . 3 1 1 A 5 5 GLN C C 5 175.216 175.150 0.066 1
1 41 . 3 1 1 A 5 5 GLN CA C 5 55.674 54.601 1.073 1
1 42 . 3 1 1 A 5 5 GLN CB C 5 29.553 33.052 -3.499 1
1 45 . 3 1 1 A 5 5 GLN N N 5 120.797 123.954 -3.157 1
1 47 . 3 1 1 A 6 6 GLU H H 6 8.171 8.553 -0.382 1
1 48 . 3 1 1 A 6 6 GLU HA H 6 4.080 4.470 -0.390 1
1 53 . 3 1 1 A 6 6 GLU C C 6 175.870 176.017 -0.147 1
1 54 . 3 1 1 A 6 6 GLU CA C 6 56.400 56.271 0.129 1
1 55 . 3 1 1 A 6 6 GLU CB C 6 30.335 29.140 1.195 1
1 57 . 3 1 1 A 6 6 GLU N N 6 122.100 121.485 0.615 1
1 58 . 3 1 1 A 7 7 PHE H H 7 8.051 7.784 0.267 1
1 59 . 3 1 1 A 7 7 PHE HA H 7 4.710 4.711 -0.001 1
1 67 . 3 1 1 A 7 7 PHE C C 7 175.461 175.627 -0.166 1
1 68 . 3 1 1 A 7 7 PHE CA C 7 56.825 58.209 -1.384 1
1 69 . 3 1 1 A 7 7 PHE CB C 7 39.812 40.405 -0.593 1
1 70 . 3 1 1 A 7 7 PHE N N 7 120.500 120.672 -0.172 1
1 71 . 3 1 1 A 8 8 GLU H H 8 8.626 8.971 -0.345 1
1 72 . 3 1 1 A 8 8 GLU HA H 8 4.193 4.737 -0.544 1
1 77 . 3 1 1 A 8 8 GLU C C 8 176.141 175.552 0.589 1
1 78 . 3 1 1 A 8 8 GLU CA C 8 56.932 55.947 0.985 1
1 79 . 3 1 1 A 8 8 GLU CB C 8 30.794 31.048 -0.254 1
1 81 . 3 1 1 A 8 8 GLU N N 8 123.469 122.627 0.842 1
1 82 . 3 1 1 A 9 9 LYS H H 9 8.396 8.402 -0.006 1
1 83 . 3 1 1 A 9 9 LYS HA H 9 5.100 5.007 0.093 1
1 92 . 3 1 1 A 9 9 LYS C C 9 176.168 175.238 0.930 1
1 93 . 3 1 1 A 9 9 LYS CA C 9 55.428 54.726 0.702 1
1 94 . 3 1 1 A 9 9 LYS CB C 9 34.214 35.607 -1.393 1
1 98 . 3 1 1 A 9 9 LYS N N 9 124.954 125.033 -0.079 1
1 99 . 3 1 1 A 10 10 VAL H H 10 9.445 8.708 0.737 1
1 100 . 3 1 1 A 10 10 VAL HA H 10 4.278 4.490 -0.212 1
1 108 . 3 1 1 A 10 10 VAL C C 10 174.967 175.118 -0.151 1
1 109 . 3 1 1 A 10 10 VAL CA C 10 60.951 61.453 -0.502 1
1 110 . 3 1 1 A 10 10 VAL CB C 10 34.681 32.391 2.290 1
1 113 . 3 1 1 A 10 10 VAL N N 10 124.360 122.998 1.362 1
1 114 . 3 1 1 A 11 11 GLU H H 11 9.021 8.794 0.227 1
1 115 . 3 1 1 A 11 11 GLU HA H 11 4.369 4.513 -0.144 1
1 120 . 3 1 1 A 11 11 GLU C C 11 174.797 176.392 -1.595 1
1 121 . 3 1 1 A 11 11 GLU CA C 11 56.728 56.118 0.610 1
1 122 . 3 1 1 A 11 11 GLU CB C 11 28.655 30.167 -1.512 1
1 124 . 3 1 1 A 11 11 GLU N N 11 127.924 128.011 -0.087 1
1 125 . 3 1 1 A 12 12 LEU H H 12 8.396 8.998 -0.602 1
1 126 . 3 1 1 A 12 12 LEU HA H 12 4.311 3.951 0.360 1
1 136 . 3 1 1 A 12 12 LEU C C 12 176.600 176.589 0.011 1
1 137 . 3 1 1 A 12 12 LEU CA C 12 55.292 55.673 -0.381 1
1 138 . 3 1 1 A 12 12 LEU CB C 12 42.624 40.664 1.960 1
1 142 . 3 1 1 A 12 12 LEU N N 12 124.954 121.237 3.717 1
1 143 . 3 1 1 A 13 13 THR H H 13 7.328 7.398 -0.070 1
1 144 . 3 1 1 A 13 13 THR HA H 13 4.530 4.349 0.181 1
1 149 . 3 1 1 A 13 13 THR C C 13 175.180 175.874 -0.694 1
1 150 . 3 1 1 A 13 13 THR CA C 13 59.603 62.441 -2.838 1
1 151 . 3 1 1 A 13 13 THR CB C 13 70.742 69.267 1.475 1
1 153 . 3 1 1 A 13 13 THR N N 13 106.841 114.348 -7.507 1
1 154 . 3 1 1 A 14 14 ALA H H 14 8.689 8.855 -0.166 1
1 155 . 3 1 1 A 14 14 ALA HA H 14 4.247 4.044 0.203 1
1 159 . 3 1 1 A 14 14 ALA C C 14 177.522 177.622 -0.100 1
1 160 . 3 1 1 A 14 14 ALA CA C 14 53.875 54.441 -0.566 1
1 161 . 3 1 1 A 14 14 ALA CB C 14 17.920 18.404 -0.484 1
1 162 . 3 1 1 A 14 14 ALA N N 14 123.733 129.194 -5.461 1
1 163 . 3 1 1 A 15 15 ASP H H 15 7.516 7.848 -0.332 1
1 164 . 3 1 1 A 15 15 ASP HA H 15 4.518 4.687 -0.169 1
1 167 . 3 1 1 A 15 15 ASP C C 15 177.402 176.237 1.165 1
1 168 . 3 1 1 A 15 15 ASP CA C 15 52.635 54.146 -1.511 1
1 169 . 3 1 1 A 15 15 ASP CB C 15 40.912 41.081 -0.169 1
1 170 . 3 1 1 A 15 15 ASP N N 15 113.967 116.747 -2.780 1
1 171 . 3 1 1 A 16 16 GLY H H 16 7.986 7.443 0.543 1
1 172 . 3 1 1 A 16 16 GLY HA2 H 16 4.080 3.989 0.091 1
1 173 . 3 1 1 A 16 16 GLY HA3 H 16 3.529 4.006 -0.477 1
1 174 . 3 1 1 A 16 16 GLY C C 16 175.233 175.270 -0.037 1
1 175 . 3 1 1 A 16 16 GLY CA C 16 45.798 45.235 0.563 1
1 176 . 3 1 1 A 16 16 GLY N N 16 108.919 106.446 2.473 1
1 177 . 3 1 1 A 17 17 GLY H H 17 8.681 8.794 -0.113 1
1 178 . 3 1 1 A 17 17 GLY HA2 H 17 4.513 3.882 0.631 1
1 179 . 3 1 1 A 17 17 GLY HA3 H 17 4.513 3.891 0.622 1
1 180 . 3 1 1 A 17 17 GLY C C 17 172.684 174.066 -1.382 1
1 181 . 3 1 1 A 17 17 GLY CA C 17 46.672 46.993 -0.321 1
1 182 . 3 1 1 A 17 17 GLY N N 17 108.663 106.304 2.359 1
1 183 . 3 1 1 A 18 18 VAL H H 18 6.903 7.601 -0.698 1
1 184 . 3 1 1 A 18 18 VAL HA H 18 4.855 4.099 0.756 1
1 192 . 3 1 1 A 18 18 VAL C C 18 174.737 174.606 0.131 1
1 193 . 3 1 1 A 18 18 VAL CA C 18 62.035 60.497 1.538 1
1 194 . 3 1 1 A 18 18 VAL CB C 18 33.315 35.379 -2.064 1
1 197 . 3 1 1 A 18 18 VAL N N 18 117.234 119.212 -1.978 1
1 198 . 3 1 1 A 19 19 ILE H H 19 8.243 8.608 -0.365 1
1 199 . 3 1 1 A 19 19 ILE HA H 19 4.665 4.802 -0.137 1
1 209 . 3 1 1 A 19 19 ILE C C 19 174.360 175.251 -0.891 1
1 210 . 3 1 1 A 19 19 ILE CA C 19 60.736 60.375 0.361 1
1 211 . 3 1 1 A 19 19 ILE CB C 19 41.856 38.081 3.775 1
1 215 . 3 1 1 A 19 19 ILE N N 19 126.439 127.254 -0.815 1
1 216 . 3 1 1 A 20 20 LYS H H 20 9.345 8.422 0.923 1
1 217 . 3 1 1 A 20 20 LYS HA H 20 5.296 5.174 0.122 1
1 226 . 3 1 1 A 20 20 LYS C C 20 173.618 174.437 -0.819 1
1 227 . 3 1 1 A 20 20 LYS CA C 20 54.842 54.560 0.282 1
1 228 . 3 1 1 A 20 20 LYS CB C 20 36.261 36.017 0.244 1
1 232 . 3 1 1 A 20 20 LYS N N 20 129.408 124.704 4.704 1
1 233 . 3 1 1 A 21 21 THR H H 21 9.597 9.242 0.355 1
1 234 . 3 1 1 A 21 21 THR HA H 21 4.923 4.820 0.103 1
1 239 . 3 1 1 A 21 21 THR C C 21 174.648 173.237 1.411 1
1 240 . 3 1 1 A 21 21 THR CA C 21 61.703 61.852 -0.149 1
1 241 . 3 1 1 A 21 21 THR CB C 21 70.230 70.656 -0.426 1
1 243 . 3 1 1 A 21 21 THR N N 21 123.469 116.918 6.551 1
1 244 . 3 1 1 A 22 22 ILE H H 22 9.248 8.735 0.513 1
1 245 . 3 1 1 A 22 22 ILE HA H 22 3.637 4.317 -0.680 1
1 255 . 3 1 1 A 22 22 ILE C C 22 174.348 174.648 -0.300 1
1 256 . 3 1 1 A 22 22 ILE CA C 22 64.258 60.558 3.700 1
1 257 . 3 1 1 A 22 22 ILE CB C 22 37.551 39.516 -1.965 1
1 261 . 3 1 1 A 22 22 ILE N N 22 128.517 127.207 1.310 1
1 262 . 3 1 1 A 23 23 LEU H H 23 8.498 8.643 -0.145 1
1 263 . 3 1 1 A 23 23 LEU HA H 23 4.180 3.698 0.482 1
1 273 . 3 1 1 A 23 23 LEU C C 23 177.521 176.758 0.763 1
1 274 . 3 1 1 A 23 23 LEU CA C 23 55.460 55.517 -0.057 1
1 275 . 3 1 1 A 23 23 LEU CB C 23 42.239 42.795 -0.556 1
1 279 . 3 1 1 A 23 23 LEU N N 23 128.517 129.911 -1.394 1
1 280 . 3 1 1 A 24 24 LYS H H 24 8.020 7.501 0.519 1
1 281 . 3 1 1 A 24 24 LYS HA H 24 4.392 4.852 -0.460 1
1 290 . 3 1 1 A 24 24 LYS C C 24 174.465 173.823 0.642 1
1 291 . 3 1 1 A 24 24 LYS CA C 24 55.848 54.527 1.321 1
1 292 . 3 1 1 A 24 24 LYS CB C 24 35.692 35.923 -0.231 1
1 296 . 3 1 1 A 24 24 LYS N N 24 120.797 117.548 3.249 1
1 297 . 3 1 1 A 25 25 LYS H H 25 8.657 8.630 0.027 1
1 298 . 3 1 1 A 25 25 LYS HA H 25 4.178 5.052 -0.874 1
1 307 . 3 1 1 A 25 25 LYS C C 25 177.616 177.150 0.466 1
1 308 . 3 1 1 A 25 25 LYS CA C 25 57.218 54.653 2.565 1
1 309 . 3 1 1 A 25 25 LYS CB C 25 32.846 34.815 -1.969 1
1 313 . 3 1 1 A 25 25 LYS N N 25 126.439 128.284 -1.845 1
1 314 . 3 1 1 A 26 26 GLY H H 26 9.728 8.884 0.844 1
1 315 . 3 1 1 A 26 26 GLY HA2 H 26 3.408 4.081 -0.673 1
1 316 . 3 1 1 A 26 26 GLY HA3 H 26 4.120 4.085 0.035 1
1 317 . 3 1 1 A 26 26 GLY C C 26 173.278 174.209 -0.931 1
1 318 . 3 1 1 A 26 26 GLY CA C 26 43.709 44.613 -0.904 1
1 319 . 3 1 1 A 26 26 GLY N N 26 110.404 112.856 -2.452 1
1 320 . 3 1 1 A 27 27 ASP H H 27 8.550 8.804 -0.254 1
1 321 . 3 1 1 A 27 27 ASP HA H 27 4.401 4.714 -0.313 1
1 324 . 3 1 1 A 27 27 ASP C C 27 175.993 175.928 0.065 1
1 325 . 3 1 1 A 27 27 ASP CA C 27 55.105 56.111 -1.006 1
1 326 . 3 1 1 A 27 27 ASP CB C 27 41.688 41.387 0.301 1
1 327 . 3 1 1 A 27 27 ASP N N 27 121.391 119.060 2.331 1
1 328 . 3 1 1 A 28 28 GLU H H 28 8.419 8.010 0.409 1
1 329 . 3 1 1 A 28 28 GLU HA H 28 4.063 4.722 -0.659 1
1 334 . 3 1 1 A 28 28 GLU C C 28 176.146 174.939 1.207 1
1 335 . 3 1 1 A 28 28 GLU CA C 28 57.076 55.772 1.304 1
1 336 . 3 1 1 A 28 28 GLU CB C 28 30.774 33.371 -2.597 1
1 338 . 3 1 1 A 28 28 GLU N N 28 120.203 115.368 4.835 1
1 339 . 3 1 1 A 29 29 GLY H H 29 8.364 8.576 -0.212 1
1 340 . 3 1 1 A 29 29 GLY HA2 H 29 4.758 4.217 0.541 1
1 341 . 3 1 1 A 29 29 GLY HA3 H 29 4.584 4.223 0.361 1
1 342 . 3 1 1 A 29 29 GLY C C 29 175.976 174.583 1.393 1
1 343 . 3 1 1 A 29 29 GLY CA C 29 44.686 45.220 -0.534 1
1 344 . 3 1 1 A 29 29 GLY N N 29 110.404 111.866 -1.462 1
1 345 . 3 1 1 A 30 30 GLU H H 30 8.867 8.842 0.025 1
1 346 . 3 1 1 A 30 30 GLU HA H 30 3.749 3.971 -0.222 1
1 351 . 3 1 1 A 30 30 GLU C C 30 177.872 177.488 0.384 1
1 352 . 3 1 1 A 30 30 GLU CA C 30 59.045 58.873 0.172 1
1 353 . 3 1 1 A 30 30 GLU CB C 30 29.030 29.652 -0.622 1
1 355 . 3 1 1 A 30 30 GLU N N 30 125.251 123.732 1.519 1
1 356 . 3 1 1 A 31 31 GLU H H 31 9.842 7.908 1.934 1
1 357 . 3 1 1 A 31 31 GLU HA H 31 4.312 4.166 0.146 1
1 362 . 3 1 1 A 31 31 GLU C C 31 176.330 177.312 -0.982 1
1 363 . 3 1 1 A 31 31 GLU CA C 31 57.437 58.941 -1.504 1
1 364 . 3 1 1 A 31 31 GLU CB C 31 28.040 29.430 -1.390 1
1 366 . 3 1 1 A 31 31 GLU N N 31 118.421 119.640 -1.219 1
1 367 . 3 1 1 A 32 32 ASN H H 32 7.731 7.901 -0.170 1
1 368 . 3 1 1 A 32 32 ASN HA H 32 5.127 5.270 -0.143 1
1 373 . 3 1 1 A 32 32 ASN C C 32 172.750 173.963 -1.213 1
1 374 . 3 1 1 A 32 32 ASN CA C 32 54.111 52.961 1.150 1
1 375 . 3 1 1 A 32 32 ASN CB C 32 40.161 36.762 3.399 1
1 376 . 3 1 1 A 32 32 ASN N N 32 116.937 116.225 0.712 1
1 378 . 3 1 1 A 33 33 ILE H H 33 7.105 8.233 -1.128 1
1 379 . 3 1 1 A 33 33 ILE HA H 33 4.793 4.555 0.238 1
1 389 . 3 1 1 A 33 33 ILE CA C 33 57.895 58.002 -0.107 1
1 390 . 3 1 1 A 33 33 ILE CB C 33 40.609 41.589 -0.980 1
1 394 . 3 1 1 A 33 33 ILE N N 33 121.985 124.979 -2.994 1
1 395 . 3 1 1 A 34 34 PRO HA H 34 4.065 4.661 -0.596 1
1 402 . 3 1 1 A 34 34 PRO C C 34 173.754 175.975 -2.221 1
1 403 . 3 1 1 A 34 34 PRO CA C 34 61.962 63.127 -1.165 1
1 404 . 3 1 1 A 34 34 PRO CB C 34 31.877 31.812 0.065 1
1 407 . 3 1 1 A 35 35 LYS H H 35 7.101 8.584 -1.483 1
1 408 . 3 1 1 A 35 35 LYS HA H 35 4.377 4.853 -0.476 1
1 417 . 3 1 1 A 35 35 LYS C C 35 175.712 176.265 -0.553 1
1 418 . 3 1 1 A 35 35 LYS CA C 35 53.404 54.652 -1.248 1
1 419 . 3 1 1 A 35 35 LYS CB C 35 35.229 35.443 -0.214 1
1 423 . 3 1 1 A 35 35 LYS N N 35 116.046 121.757 -5.711 1
1 424 . 3 1 1 A 36 36 LYS H H 36 8.144 8.524 -0.380 1
1 425 . 3 1 1 A 36 36 LYS HA H 36 3.515 4.246 -0.731 1
1 434 . 3 1 1 A 36 36 LYS C C 36 176.774 176.841 -0.067 1
1 435 . 3 1 1 A 36 36 LYS CA C 36 58.608 56.136 2.472 1
1 436 . 3 1 1 A 36 36 LYS CB C 36 32.089 32.929 -0.840 1
1 440 . 3 1 1 A 36 36 LYS N N 36 120.797 121.961 -1.164 1
1 441 . 3 1 1 A 37 37 GLY H H 37 9.113 8.513 0.600 1
1 442 . 3 1 1 A 37 37 GLY HA2 H 37 3.494 3.929 -0.435 1
1 443 . 3 1 1 A 37 37 GLY HA3 H 37 4.330 3.975 0.355 1
1 444 . 3 1 1 A 37 37 GLY C C 37 175.329 174.473 0.856 1
1 445 . 3 1 1 A 37 37 GLY CA C 37 44.853 44.978 -0.125 1
1 446 . 3 1 1 A 37 37 GLY N N 37 113.967 112.093 1.874 1
1 447 . 3 1 1 A 38 38 ASN H H 38 8.447 7.501 0.946 1
1 448 . 3 1 1 A 38 38 ASN HA H 38 4.663 5.029 -0.366 1
1 453 . 3 1 1 A 38 38 ASN C C 38 174.878 174.038 0.840 1
1 454 . 3 1 1 A 38 38 ASN CA C 38 53.557 52.382 1.175 1
1 455 . 3 1 1 A 38 38 ASN CB C 38 39.155 40.236 -1.081 1
1 457 . 3 1 1 A 38 38 ASN N N 38 117.828 118.845 -1.017 1
1 459 . 3 1 1 A 39 39 GLU H H 39 8.331 8.489 -0.158 1
1 460 . 3 1 1 A 39 39 GLU HA H 39 4.254 4.826 -0.572 1
1 465 . 3 1 1 A 39 39 GLU C C 39 175.656 176.350 -0.694 1
1 466 . 3 1 1 A 39 39 GLU CA C 39 55.804 56.046 -0.242 1
1 467 . 3 1 1 A 39 39 GLU CB C 39 31.464 30.846 0.618 1
1 469 . 3 1 1 A 39 39 GLU N N 39 121.094 121.111 -0.017 1
1 470 . 3 1 1 A 40 40 VAL H H 40 9.138 8.715 0.423 1
1 471 . 3 1 1 A 40 40 VAL HA H 40 4.699 4.991 -0.292 1
1 479 . 3 1 1 A 40 40 VAL C C 40 173.240 174.586 -1.346 1
1 480 . 3 1 1 A 40 40 VAL CA C 40 59.559 59.311 0.248 1
1 481 . 3 1 1 A 40 40 VAL CB C 40 32.896 35.853 -2.957 1
1 484 . 3 1 1 A 40 40 VAL N N 40 125.845 120.192 5.653 1
1 485 . 3 1 1 A 41 41 THR H H 41 8.328 8.930 -0.602 1
1 486 . 3 1 1 A 41 41 THR HA H 41 4.982 4.921 0.061 1
1 491 . 3 1 1 A 41 41 THR C C 41 174.455 173.912 0.543 1
1 492 . 3 1 1 A 41 41 THR CA C 41 61.964 61.440 0.524 1
1 493 . 3 1 1 A 41 41 THR CB C 41 69.623 70.683 -1.060 1
1 495 . 3 1 1 A 41 41 THR N N 41 117.531 117.117 0.414 1
1 496 . 3 1 1 A 42 42 VAL H H 42 9.581 8.825 0.756 1
1 497 . 3 1 1 A 42 42 VAL HA H 42 5.669 4.995 0.674 1
1 505 . 3 1 1 A 42 42 VAL C C 42 174.919 173.497 1.422 1
1 506 . 3 1 1 A 42 42 VAL CA C 42 57.930 58.578 -0.648 1
1 507 . 3 1 1 A 42 42 VAL CB C 42 35.321 35.175 0.146 1
1 510 . 3 1 1 A 42 42 VAL N N 42 117.828 119.918 -2.090 1
1 511 . 3 1 1 A 43 43 HIS H H 43 8.333 8.570 -0.237 1
1 512 . 3 1 1 A 43 43 HIS HA H 43 5.407 5.366 0.041 1
1 515 . 3 1 1 A 43 43 HIS C C 43 176.136 173.451 2.685 1
1 516 . 3 1 1 A 43 43 HIS CA C 43 54.147 54.169 -0.022 1
1 517 . 3 1 1 A 43 43 HIS CB C 43 35.339 32.578 2.761 1
1 518 . 3 1 1 A 43 43 HIS N N 43 119.906 123.430 -3.524 1
1 519 . 3 1 1 A 44 44 TYR H H 44 9.622 8.618 1.004 1
1 520 . 3 1 1 A 44 44 TYR HA H 44 6.247 6.234 0.013 1
1 527 . 3 1 1 A 44 44 TYR C C 44 172.857 173.650 -0.793 1
1 528 . 3 1 1 A 44 44 TYR CA C 44 56.304 55.256 1.048 1
1 529 . 3 1 1 A 44 44 TYR CB C 44 43.537 42.591 0.946 1
1 530 . 3 1 1 A 44 44 TYR N N 44 117.234 121.779 -4.545 1
1 531 . 3 1 1 A 45 45 VAL H H 45 8.735 8.338 0.397 1
1 532 . 3 1 1 A 45 45 VAL HA H 45 4.520 4.435 0.085 1
1 540 . 3 1 1 A 45 45 VAL C C 45 175.200 174.611 0.589 1
1 541 . 3 1 1 A 45 45 VAL CA C 45 62.212 60.235 1.977 1
1 542 . 3 1 1 A 45 45 VAL CB C 45 35.550 34.936 0.614 1
1 545 . 3 1 1 A 45 45 VAL N N 45 118.125 119.213 -1.088 1
1 546 . 3 1 1 A 46 46 GLY H H 46 9.126 8.006 1.120 1
1 547 . 3 1 1 A 46 46 GLY HA2 H 46 4.539 4.110 0.429 1
1 548 . 3 1 1 A 46 46 GLY HA3 H 46 4.506 4.162 0.344 1
1 549 . 3 1 1 A 46 46 GLY C C 46 170.771 171.724 -0.953 1
1 550 . 3 1 1 A 46 46 GLY CA C 46 45.601 45.917 -0.316 1
1 551 . 3 1 1 A 46 46 GLY N N 46 114.858 111.060 3.798 1
1 552 . 3 1 1 A 47 47 LYS H H 47 9.121 8.323 0.798 1
1 553 . 3 1 1 A 47 47 LYS HA H 47 5.176 5.299 -0.123 1
1 562 . 3 1 1 A 47 47 LYS C C 47 175.830 173.986 1.844 1
1 563 . 3 1 1 A 47 47 LYS CA C 47 53.937 54.758 -0.821 1
1 564 . 3 1 1 A 47 47 LYS CB C 47 37.021 35.870 1.151 1
1 568 . 3 1 1 A 47 47 LYS N N 47 123.469 119.229 4.240 1
1 569 . 3 1 1 A 48 48 LEU H H 48 8.016 8.987 -0.971 1
1 570 . 3 1 1 A 48 48 LEU HA H 48 4.692 4.611 0.081 1
1 580 . 3 1 1 A 48 48 LEU C C 48 178.031 177.023 1.008 1
1 581 . 3 1 1 A 48 48 LEU CA C 48 54.231 54.124 0.107 1
1 582 . 3 1 1 A 48 48 LEU CB C 48 41.678 42.591 -0.913 1
1 586 . 3 1 1 A 48 48 LEU N N 48 121.391 122.472 -1.081 1
1 587 . 3 1 1 A 49 49 GLU H H 49 8.085 8.391 -0.306 1
1 588 . 3 1 1 A 49 49 GLU HA H 49 3.835 3.951 -0.116 1
1 593 . 3 1 1 A 49 49 GLU C C 49 178.118 177.826 0.292 1
1 594 . 3 1 1 A 49 49 GLU CA C 49 59.974 58.901 1.073 1
1 595 . 3 1 1 A 49 49 GLU CB C 49 30.322 29.503 0.819 1
1 597 . 3 1 1 A 49 49 GLU N N 49 124.954 127.480 -2.526 1
1 598 . 3 1 1 A 50 50 SER H H 50 9.220 7.766 1.454 1
1 599 . 3 1 1 A 50 50 SER HA H 50 4.154 4.140 0.014 1
1 602 . 3 1 1 A 50 50 SER C C 50 176.751 175.963 0.788 1
1 603 . 3 1 1 A 50 50 SER CA C 50 60.230 61.396 -1.166 1
1 604 . 3 1 1 A 50 50 SER CB C 50 62.229 63.211 -0.982 1
1 605 . 3 1 1 A 50 50 SER N N 50 112.186 115.439 -3.253 1
1 606 . 3 1 1 A 51 51 THR H H 51 6.784 7.580 -0.796 1
1 607 . 3 1 1 A 51 51 THR HA H 51 4.520 4.552 -0.032 1
1 612 . 3 1 1 A 51 51 THR C C 51 176.342 174.894 1.448 1
1 613 . 3 1 1 A 51 51 THR CA C 51 60.760 62.030 -1.270 1
1 614 . 3 1 1 A 51 51 THR CB C 51 71.046 69.692 1.354 1
1 616 . 3 1 1 A 51 51 THR N N 51 105.653 112.993 -7.340 1
1 617 . 3 1 1 A 52 52 GLY H H 52 8.296 7.878 0.418 1
1 618 . 3 1 1 A 52 52 GLY HA2 H 52 3.680 3.931 -0.251 1
1 619 . 3 1 1 A 52 52 GLY HA3 H 52 4.096 3.932 0.164 1
1 620 . 3 1 1 A 52 52 GLY C C 52 173.336 174.681 -1.345 1
1 621 . 3 1 1 A 52 52 GLY CA C 52 45.711 45.716 -0.005 1
1 622 . 3 1 1 A 52 52 GLY N N 52 112.483 111.041 1.442 1
1 623 . 3 1 1 A 53 53 LYS H H 53 7.479 7.338 0.141 1
1 624 . 3 1 1 A 53 53 LYS HA H 53 4.218 4.445 -0.227 1
1 633 . 3 1 1 A 53 53 LYS C C 53 176.513 175.682 0.831 1
1 634 . 3 1 1 A 53 53 LYS CA C 53 56.217 55.455 0.762 1
1 635 . 3 1 1 A 53 53 LYS CB C 53 33.430 33.153 0.277 1
1 639 . 3 1 1 A 53 53 LYS N N 53 119.609 119.910 -0.301 1
1 640 . 3 1 1 A 54 54 VAL H H 54 8.511 8.301 0.210 1
1 641 . 3 1 1 A 54 54 VAL HA H 54 4.244 4.250 -0.006 1
1 649 . 3 1 1 A 54 54 VAL C C 54 176.879 175.911 0.968 1
1 650 . 3 1 1 A 54 54 VAL CA C 54 62.409 62.538 -0.129 1
1 651 . 3 1 1 A 54 54 VAL CB C 54 32.697 32.458 0.239 1
1 654 . 3 1 1 A 54 54 VAL N N 54 126.109 125.401 0.708 1
1 655 . 3 1 1 A 55 55 PHE H H 55 8.325 8.506 -0.181 1
1 656 . 3 1 1 A 55 55 PHE HA H 55 5.036 4.753 0.283 1
1 664 . 3 1 1 A 55 55 PHE C C 55 174.856 174.765 0.091 1
1 665 . 3 1 1 A 55 55 PHE CA C 55 55.758 58.700 -2.942 1
1 666 . 3 1 1 A 55 55 PHE CB C 55 40.399 39.354 1.045 1
1 667 . 3 1 1 A 55 55 PHE N N 55 124.063 124.744 -0.681 1
1 668 . 3 1 1 A 56 56 ASP H H 56 6.884 8.832 -1.948 1
1 669 . 3 1 1 A 56 56 ASP HA H 56 4.801 5.177 -0.376 1
1 672 . 3 1 1 A 56 56 ASP C C 56 173.688 174.442 -0.754 1
1 673 . 3 1 1 A 56 56 ASP CA C 56 54.956 53.339 1.617 1
1 674 . 3 1 1 A 56 56 ASP CB C 56 43.616 42.411 1.205 1
1 675 . 3 1 1 A 56 56 ASP N N 56 120.500 125.173 -4.673 1
1 676 . 3 1 1 A 57 57 SER H H 57 8.038 9.601 -1.563 1
1 677 . 3 1 1 A 57 57 SER HA H 57 4.796 5.037 -0.241 1
1 680 . 3 1 1 A 57 57 SER C C 57 174.997 174.820 0.177 1
1 681 . 3 1 1 A 57 57 SER CA C 57 55.792 57.523 -1.731 1
1 682 . 3 1 1 A 57 57 SER CB C 57 64.961 67.333 -2.372 1
1 683 . 3 1 1 A 57 57 SER N N 57 118.421 121.627 -3.206 1
1 684 . 3 1 1 A 58 58 SER H H 58 8.429 8.797 -0.368 1
1 685 . 3 1 1 A 58 58 SER HA H 58 4.080 4.027 0.053 1
1 688 . 3 1 1 A 58 58 SER C C 58 177.399 176.091 1.308 1
1 689 . 3 1 1 A 58 58 SER CA C 58 61.499 61.215 0.284 1
1 690 . 3 1 1 A 58 58 SER CB C 58 65.069 62.624 2.445 1
1 691 . 3 1 1 A 58 58 SER N N 58 123.766 118.381 5.385 1
1 692 . 3 1 1 A 59 59 PHE H H 59 7.276 7.771 -0.495 1
1 693 . 3 1 1 A 59 59 PHE HA H 59 3.851 4.481 -0.630 1
1 701 . 3 1 1 A 59 59 PHE C C 59 178.929 178.311 0.618 1
1 702 . 3 1 1 A 59 59 PHE CA C 59 61.010 60.020 0.990 1
1 703 . 3 1 1 A 59 59 PHE CB C 59 38.129 39.926 -1.797 1
1 704 . 3 1 1 A 59 59 PHE N N 59 121.845 119.017 2.828 1
1 705 . 3 1 1 A 60 60 ASP H H 60 7.534 8.650 -1.116 1
1 706 . 3 1 1 A 60 60 ASP HA H 60 4.343 4.435 -0.092 1
1 709 . 3 1 1 A 60 60 ASP C C 60 177.295 177.863 -0.568 1
1 710 . 3 1 1 A 60 60 ASP CA C 60 56.921 56.860 0.061 1
1 711 . 3 1 1 A 60 60 ASP CB C 60 40.298 40.181 0.117 1
1 712 . 3 1 1 A 60 60 ASP N N 60 119.015 119.387 -0.372 1
1 713 . 3 1 1 A 61 61 ARG H H 61 7.224 8.354 -1.130 1
1 714 . 3 1 1 A 61 61 ARG HA H 61 4.378 4.191 0.187 1
1 721 . 3 1 1 A 61 61 ARG C C 61 175.798 177.449 -1.651 1
1 722 . 3 1 1 A 61 61 ARG CA C 61 55.209 57.953 -2.744 1
1 723 . 3 1 1 A 61 61 ARG CB C 61 32.610 30.195 2.415 1
1 726 . 3 1 1 A 61 61 ARG N N 61 115.452 118.797 -3.345 1
1 727 . 3 1 1 A 62 62 ASN H H 62 7.946 8.648 -0.702 1
1 728 . 3 1 1 A 62 62 ASN HA H 62 4.392 5.016 -0.624 1
1 733 . 3 1 1 A 62 62 ASN C C 62 173.776 174.024 -0.248 1
1 734 . 3 1 1 A 62 62 ASN CA C 62 54.269 54.765 -0.496 1
1 735 . 3 1 1 A 62 62 ASN CB C 62 38.597 40.562 -1.965 1
1 737 . 3 1 1 A 62 62 ASN N N 62 115.196 117.926 -2.730 1
1 739 . 3 1 1 A 63 63 VAL H H 63 7.278 8.616 -1.338 1
1 740 . 3 1 1 A 63 63 VAL HA H 63 4.628 4.533 0.095 1
1 748 . 3 1 1 A 63 63 VAL CA C 63 62.601 59.216 3.385 1
1 749 . 3 1 1 A 63 63 VAL CB C 63 35.186 33.453 1.733 1
1 752 . 3 1 1 A 63 63 VAL N N 63 115.155 117.281 -2.126 1
1 753 . 3 1 1 A 64 64 PRO HA H 64 4.516 4.795 -0.279 1
1 760 . 3 1 1 A 64 64 PRO C C 64 174.254 176.014 -1.760 1
1 761 . 3 1 1 A 64 64 PRO CA C 64 62.601 62.434 0.167 1
1 762 . 3 1 1 A 64 64 PRO CB C 64 31.977 32.597 -0.620 1
1 765 . 3 1 1 A 65 65 PHE H H 65 9.109 8.620 0.489 1
1 766 . 3 1 1 A 65 65 PHE HA H 65 4.821 5.119 -0.298 1
1 774 . 3 1 1 A 65 65 PHE C C 65 173.320 174.399 -1.079 1
1 775 . 3 1 1 A 65 65 PHE CA C 65 57.292 57.355 -0.063 1
1 776 . 3 1 1 A 65 65 PHE CB C 65 42.894 42.102 0.792 1
1 777 . 3 1 1 A 65 65 PHE N N 65 123.469 123.475 -0.006 1
1 778 . 3 1 1 A 66 66 LYS H H 66 7.474 8.556 -1.082 1
1 779 . 3 1 1 A 66 66 LYS HA H 66 5.378 5.326 0.052 1
1 788 . 3 1 1 A 66 66 LYS C C 66 175.026 174.620 0.406 1
1 789 . 3 1 1 A 66 66 LYS CA C 66 53.876 54.639 -0.763 1
1 790 . 3 1 1 A 66 66 LYS CB C 66 35.471 36.229 -0.758 1
1 794 . 3 1 1 A 66 66 LYS N N 66 125.548 122.564 2.984 1
1 795 . 3 1 1 A 67 67 PHE H H 67 8.114 8.277 -0.163 1
1 796 . 3 1 1 A 67 67 PHE HA H 67 4.469 5.510 -1.041 1
1 804 . 3 1 1 A 67 67 PHE C C 67 172.049 173.185 -1.136 1
1 805 . 3 1 1 A 67 67 PHE CA C 67 55.662 55.280 0.382 1
1 806 . 3 1 1 A 67 67 PHE CB C 67 40.087 41.793 -1.706 1
1 807 . 3 1 1 A 67 67 PHE N N 67 115.419 117.130 -1.711 1
1 808 . 3 1 1 A 68 68 HIS H H 68 8.983 8.937 0.046 1
1 809 . 3 1 1 A 68 68 HIS HA H 68 5.482 5.177 0.305 1
1 812 . 3 1 1 A 68 68 HIS C C 68 174.742 174.452 0.290 1
1 813 . 3 1 1 A 68 68 HIS CA C 68 55.348 54.144 1.204 1
1 814 . 3 1 1 A 68 68 HIS CB C 68 28.470 32.768 -4.298 1
1 815 . 3 1 1 A 68 68 HIS N N 68 118.421 116.187 2.234 1
1 816 . 3 1 1 A 69 69 LEU H H 69 8.317 8.632 -0.315 1
1 817 . 3 1 1 A 69 69 LEU HA H 69 4.016 4.427 -0.411 1
1 827 . 3 1 1 A 69 69 LEU CA C 69 56.060 55.612 0.448 1
1 828 . 3 1 1 A 69 69 LEU CB C 69 42.903 42.481 0.422 1
1 832 . 3 1 1 A 69 69 LEU N N 69 126.736 124.807 1.929 1
1 833 . 3 1 1 A 70 70 GLU H H 70 9.618 9.221 0.397 1
1 834 . 3 1 1 A 70 70 GLU HA H 70 3.847 3.965 -0.118 1
1 839 . 3 1 1 A 70 70 GLU C C 70 174.818 176.475 -1.657 1
1 840 . 3 1 1 A 70 70 GLU CA C 70 58.625 57.416 1.209 1
1 841 . 3 1 1 A 70 70 GLU CB C 70 27.456 27.318 0.138 1
1 843 . 3 1 1 A 70 70 GLU N N 70 124.954 123.138 1.816 1
1 844 . 3 1 1 A 71 71 GLN H H 71 8.248 8.312 -0.064 1
1 845 . 3 1 1 A 71 71 GLN HA H 71 4.678 4.314 0.364 1
1 852 . 3 1 1 A 71 71 GLN CA C 71 54.218 55.123 -0.905 1
1 853 . 3 1 1 A 71 71 GLN CB C 71 30.422 28.389 2.033 1
1 856 . 3 1 1 A 71 71 GLN N N 71 114.858 117.945 -3.087 1
1 858 . 3 1 1 A 72 72 GLY H H 72 8.362 7.887 0.475 1
1 859 . 3 1 1 A 72 72 GLY HA2 H 72 4.145 4.032 0.113 1
1 860 . 3 1 1 A 72 72 GLY HA3 H 72 4.059 4.047 0.012 1
1 861 . 3 1 1 A 72 72 GLY C C 72 175.783 175.204 0.579 1
1 862 . 3 1 1 A 72 72 GLY CA C 72 46.838 45.460 1.378 1
1 863 . 3 1 1 A 72 72 GLY N N 72 110.404 108.911 1.493 1
1 864 . 3 1 1 A 73 73 GLU H H 73 9.085 8.299 0.786 1
1 865 . 3 1 1 A 73 73 GLU HA H 73 4.187 4.428 -0.241 1
1 870 . 3 1 1 A 73 73 GLU C C 73 175.522 176.326 -0.804 1
1 871 . 3 1 1 A 73 73 GLU CA C 73 57.443 56.713 0.730 1
1 872 . 3 1 1 A 73 73 GLU CB C 73 31.378 30.683 0.695 1
1 874 . 3 1 1 A 73 73 GLU N N 73 118.421 117.815 0.606 1
1 875 . 3 1 1 A 74 74 VAL H H 74 6.862 6.938 -0.076 1
1 876 . 3 1 1 A 74 74 VAL HA H 74 4.281 4.237 0.044 1
1 884 . 3 1 1 A 74 74 VAL C C 74 175.773 175.305 0.468 1
1 885 . 3 1 1 A 74 74 VAL CA C 74 57.468 60.816 -3.348 1
1 886 . 3 1 1 A 74 74 VAL CB C 74 36.344 33.327 3.017 1
1 889 . 3 1 1 A 74 74 VAL N N 74 108.919 115.176 -6.257 1
1 890 . 3 1 1 A 75 75 ILE H H 75 7.462 9.000 -1.538 1
1 891 . 3 1 1 A 75 75 ILE HA H 75 3.844 4.214 -0.370 1
1 901 . 3 1 1 A 75 75 ILE C C 75 177.618 177.282 0.336 1
1 902 . 3 1 1 A 75 75 ILE CA C 75 62.213 62.432 -0.219 1
1 903 . 3 1 1 A 75 75 ILE CB C 75 37.337 38.137 -0.800 1
1 907 . 3 1 1 A 75 75 ILE N N 75 113.373 123.497 -10.124 1
1 908 . 3 1 1 A 76 76 LYS H H 76 9.047 7.655 1.392 1
1 909 . 3 1 1 A 76 76 LYS HA H 76 4.282 4.362 -0.080 1
1 918 . 3 1 1 A 76 76 LYS C C 76 180.009 178.436 1.573 1
1 919 . 3 1 1 A 76 76 LYS CA C 76 59.482 57.231 2.251 1
1 920 . 3 1 1 A 76 76 LYS CB C 76 32.740 34.230 -1.490 1
1 924 . 3 1 1 A 76 76 LYS N N 76 124.954 120.852 4.102 1
1 925 . 3 1 1 A 77 77 GLY H H 77 9.775 8.347 1.428 1
1 926 . 3 1 1 A 77 77 GLY HA2 H 77 3.786 3.287 0.499 1
1 927 . 3 1 1 A 77 77 GLY HA3 H 77 3.618 3.426 0.192 1
1 928 . 3 1 1 A 77 77 GLY C C 77 175.261 176.469 -1.208 1
1 929 . 3 1 1 A 77 77 GLY CA C 77 47.402 47.133 0.269 1
1 930 . 3 1 1 A 77 77 GLY N N 77 101.199 106.532 -5.333 1
1 931 . 3 1 1 A 78 78 TRP H H 78 7.817 7.783 0.034 1
1 932 . 3 1 1 A 78 78 TRP HA H 78 4.017 4.796 -0.779 1
1 940 . 3 1 1 A 78 78 TRP C C 78 177.610 178.015 -0.405 1
1 941 . 3 1 1 A 78 78 TRP CA C 78 61.524 60.193 1.331 1
1 942 . 3 1 1 A 78 78 TRP CB C 78 28.655 30.015 -1.360 1
1 943 . 3 1 1 A 78 78 TRP N N 78 120.203 122.354 -2.151 1
1 944 . 3 1 1 A 79 79 ASP H H 79 6.967 8.212 -1.245 1
1 945 . 3 1 1 A 79 79 ASP HA H 79 4.738 4.398 0.340 1
1 948 . 3 1 1 A 79 79 ASP C C 79 179.125 179.146 -0.021 1
1 949 . 3 1 1 A 79 79 ASP CA C 79 58.492 57.644 0.848 1
1 950 . 3 1 1 A 79 79 ASP CB C 79 41.181 41.755 -0.574 1
1 951 . 3 1 1 A 79 79 ASP N N 79 121.688 119.989 1.699 1
1 952 . 3 1 1 A 80 80 ILE H H 80 8.173 7.708 0.465 1
1 953 . 3 1 1 A 80 80 ILE HA H 80 3.617 3.745 -0.128 1
1 963 . 3 1 1 A 80 80 ILE C C 80 177.849 177.880 -0.031 1
1 964 . 3 1 1 A 80 80 ILE CA C 80 64.758 64.763 -0.005 1
1 965 . 3 1 1 A 80 80 ILE CB C 80 39.198 37.436 1.762 1
1 969 . 3 1 1 A 80 80 ILE N N 80 118.125 118.956 -0.831 1
1 970 . 3 1 1 A 81 81 CYS H H 81 7.961 7.819 0.142 1
1 971 . 3 1 1 A 81 81 CYS HA H 81 4.456 4.028 0.428 1
1 974 . 3 1 1 A 81 81 CYS C C 81 178.812 176.937 1.875 1
1 975 . 3 1 1 A 81 81 CYS CA C 81 63.059 62.755 0.304 1
1 976 . 3 1 1 A 81 81 CYS CB C 81 27.732 26.491 1.241 1
1 977 . 3 1 1 A 81 81 CYS N N 81 116.937 121.094 -4.157 1
1 978 . 3 1 1 A 82 82 VAL H H 82 9.434 8.342 1.092 1
1 979 . 3 1 1 A 82 82 VAL HA H 82 3.476 3.833 -0.357 1
1 987 . 3 1 1 A 82 82 VAL C C 82 176.456 178.227 -1.771 1
1 988 . 3 1 1 A 82 82 VAL CA C 82 66.977 65.193 1.784 1
1 989 . 3 1 1 A 82 82 VAL CB C 82 30.171 31.726 -1.555 1
1 992 . 3 1 1 A 82 82 VAL N N 82 121.688 119.089 2.599 1
1 993 . 3 1 1 A 83 83 SER H H 83 7.541 7.760 -0.219 1
1 994 . 3 1 1 A 83 83 SER HA H 83 3.964 4.483 -0.519 1
1 997 . 3 1 1 A 83 83 SER C C 83 173.661 174.966 -1.305 1
1 998 . 3 1 1 A 83 83 SER CA C 83 61.551 61.277 0.274 1
1 999 . 3 1 1 A 83 83 SER CB C 83 63.239 63.331 -0.092 1
1 1000 . 3 1 1 A 83 83 SER N N 83 111.889 117.517 -5.628 1
1 1001 . 3 1 1 A 84 84 SER H H 84 7.471 7.501 -0.030 1
1 1002 . 3 1 1 A 84 84 SER HA H 84 4.530 4.587 -0.057 1
1 1005 . 3 1 1 A 84 84 SER C C 84 174.314 173.790 0.524 1
1 1006 . 3 1 1 A 84 84 SER CA C 84 58.440 57.472 0.968 1
1 1007 . 3 1 1 A 84 84 SER CB C 84 65.929 63.566 2.363 1
1 1008 . 3 1 1 A 84 84 SER N N 84 114.264 114.674 -0.410 1
1 1009 . 3 1 1 A 85 85 MET H H 85 7.441 7.215 0.226 1
1 1010 . 3 1 1 A 85 85 MET HA H 85 4.262 4.941 -0.679 1
1 1015 . 3 1 1 A 85 85 MET C C 85 172.768 174.324 -1.556 1
1 1016 . 3 1 1 A 85 85 MET CA C 85 56.502 53.796 2.706 1
1 1017 . 3 1 1 A 85 85 MET CB C 85 36.378 37.124 -0.746 1
1 1019 . 3 1 1 A 85 85 MET N N 85 124.657 119.986 4.671 1
1 1020 . 3 1 1 A 86 86 ARG H H 86 7.045 8.337 -1.292 1
1 1021 . 3 1 1 A 86 86 ARG HA H 86 4.879 4.618 0.261 1
1 1028 . 3 1 1 A 86 86 ARG C C 86 177.468 176.456 1.012 1
1 1029 . 3 1 1 A 86 86 ARG CA C 86 53.395 53.689 -0.294 1
1 1030 . 3 1 1 A 86 86 ARG CB C 86 33.244 33.598 -0.354 1
1 1033 . 3 1 1 A 86 86 ARG N N 86 114.264 118.429 -4.165 1
1 1034 . 3 1 1 A 87 87 LYS H H 87 8.818 8.522 0.296 1
1 1035 . 3 1 1 A 87 87 LYS HA H 87 3.554 3.855 -0.301 1
1 1044 . 3 1 1 A 87 87 LYS C C 87 175.382 177.005 -1.623 1
1 1045 . 3 1 1 A 87 87 LYS CA C 87 60.175 58.307 1.868 1
1 1046 . 3 1 1 A 87 87 LYS CB C 87 33.195 32.492 0.703 1
1 1050 . 3 1 1 A 87 87 LYS N N 87 121.391 122.766 -1.375 1
1 1051 . 3 1 1 A 88 88 ASN H H 88 8.943 7.931 1.012 1
1 1052 . 3 1 1 A 88 88 ASN HA H 88 4.291 4.906 -0.615 1
1 1057 . 3 1 1 A 88 88 ASN C C 88 174.124 173.780 0.344 1
1 1058 . 3 1 1 A 88 88 ASN CA C 88 56.703 52.747 3.956 1
1 1059 . 3 1 1 A 88 88 ASN CB C 88 36.677 39.777 -3.100 1
1 1060 . 3 1 1 A 88 88 ASN N N 88 116.640 115.044 1.596 1
1 1062 . 3 1 1 A 89 89 GLU H H 89 8.677 7.444 1.233 1
1 1063 . 3 1 1 A 89 89 GLU HA H 89 4.358 5.071 -0.713 1
1 1068 . 3 1 1 A 89 89 GLU C C 89 174.903 174.426 0.477 1
1 1069 . 3 1 1 A 89 89 GLU CA C 89 56.190 54.949 1.241 1
1 1070 . 3 1 1 A 89 89 GLU CB C 89 33.096 33.313 -0.217 1
1 1072 . 3 1 1 A 89 89 GLU N N 89 122.876 120.863 2.013 1
1 1073 . 3 1 1 A 90 90 LYS H H 90 8.580 8.595 -0.015 1
1 1074 . 3 1 1 A 90 90 LYS HA H 90 5.542 5.041 0.501 1
1 1083 . 3 1 1 A 90 90 LYS C C 90 175.593 174.480 1.113 1
1 1084 . 3 1 1 A 90 90 LYS CA C 90 54.210 55.431 -1.221 1
1 1085 . 3 1 1 A 90 90 LYS CB C 90 36.189 35.517 0.672 1
1 1089 . 3 1 1 A 90 90 LYS N N 90 123.469 124.501 -1.032 1
1 1090 . 3 1 1 A 91 91 CYS H H 91 9.673 8.480 1.193 1
1 1091 . 3 1 1 A 91 91 CYS HA H 91 5.524 5.388 0.136 1
1 1094 . 3 1 1 A 91 91 CYS C C 91 170.527 172.868 -2.341 1
1 1095 . 3 1 1 A 91 91 CYS CA C 91 54.690 57.500 -2.810 1
1 1096 . 3 1 1 A 91 91 CYS CB C 91 32.542 31.872 0.670 1
1 1097 . 3 1 1 A 91 91 CYS N N 91 122.579 124.279 -1.700 1
1 1098 . 3 1 1 A 92 92 LEU H H 92 8.984 9.121 -0.137 1
1 1099 . 3 1 1 A 92 92 LEU HA H 92 5.458 5.041 0.417 1
1 1109 . 3 1 1 A 92 92 LEU C C 92 175.596 175.076 0.520 1
1 1110 . 3 1 1 A 92 92 LEU CA C 92 53.413 53.694 -0.281 1
1 1111 . 3 1 1 A 92 92 LEU CB C 92 44.972 42.958 2.014 1
1 1115 . 3 1 1 A 92 92 LEU N N 92 122.282 123.842 -1.560 1
1 1116 . 3 1 1 A 93 93 VAL H H 93 10.107 9.111 0.996 1
1 1117 . 3 1 1 A 93 93 VAL HA H 93 5.506 4.935 0.571 1
1 1125 . 3 1 1 A 93 93 VAL C C 93 171.051 173.906 -2.855 1
1 1126 . 3 1 1 A 93 93 VAL CA C 93 58.200 59.830 -1.630 1
1 1127 . 3 1 1 A 93 93 VAL CB C 93 35.276 34.302 0.974 1
1 1130 . 3 1 1 A 93 93 VAL N N 93 126.224 126.063 0.161 1
1 1131 . 3 1 1 A 94 94 ARG H H 94 8.949 8.996 -0.047 1
1 1132 . 3 1 1 A 94 94 ARG HA H 94 5.133 4.953 0.180 1
1 1139 . 3 1 1 A 94 94 ARG C C 94 175.823 175.221 0.602 1
1 1140 . 3 1 1 A 94 94 ARG CA C 94 56.219 55.562 0.657 1
1 1141 . 3 1 1 A 94 94 ARG CB C 94 32.039 31.006 1.033 1
1 1144 . 3 1 1 A 94 94 ARG N N 94 130.596 127.196 3.400 1
1 1145 . 3 1 1 A 95 95 ILE H H 95 9.655 8.966 0.689 1
1 1146 . 3 1 1 A 95 95 ILE HA H 95 4.899 4.620 0.279 1
1 1156 . 3 1 1 A 95 95 ILE C C 95 175.215 175.174 0.041 1
1 1157 . 3 1 1 A 95 95 ILE CA C 95 60.582 60.339 0.243 1
1 1158 . 3 1 1 A 95 95 ILE CB C 95 37.359 37.912 -0.553 1
1 1162 . 3 1 1 A 95 95 ILE N N 95 129.905 126.166 3.739 1
1 1163 . 3 1 1 A 96 96 GLU H H 96 9.213 8.511 0.702 1
1 1164 . 3 1 1 A 96 96 GLU HA H 96 4.320 4.253 0.067 1
1 1169 . 3 1 1 A 96 96 GLU C C 96 177.897 177.481 0.416 1
1 1170 . 3 1 1 A 96 96 GLU CA C 96 57.568 55.349 2.219 1
1 1171 . 3 1 1 A 96 96 GLU CB C 96 29.676 30.754 -1.078 1
1 1173 . 3 1 1 A 96 96 GLU N N 96 126.439 128.703 -2.264 1
1 1174 . 3 1 1 A 97 97 SER H H 97 8.693 8.802 -0.109 1
1 1175 . 3 1 1 A 97 97 SER HA H 97 4.370 4.135 0.235 1
1 1178 . 3 1 1 A 97 97 SER C C 97 178.668 176.061 2.607 1
1 1179 . 3 1 1 A 97 97 SER CA C 97 62.800 61.580 1.220 1
1 1180 . 3 1 1 A 97 97 SER CB C 97 64.591 62.557 2.034 1
1 1181 . 3 1 1 A 97 97 SER N N 97 115.749 119.197 -3.448 1
1 1182 . 3 1 1 A 98 98 MET H H 98 8.937 8.457 0.480 1
1 1183 . 3 1 1 A 98 98 MET HA H 98 4.170 4.384 -0.214 1
1 1188 . 3 1 1 A 98 98 MET C C 98 179.250 176.699 2.551 1
1 1189 . 3 1 1 A 98 98 MET CA C 98 58.702 57.199 1.503 1
1 1190 . 3 1 1 A 98 98 MET CB C 98 31.047 32.340 -1.293 1
1 1192 . 3 1 1 A 98 98 MET N N 98 121.985 119.076 2.909 1
1 1193 . 3 1 1 A 99 99 TYR H H 99 7.927 7.532 0.395 1
1 1194 . 3 1 1 A 99 99 TYR HA H 99 4.435 4.470 -0.035 1
1 1201 . 3 1 1 A 99 99 TYR C C 99 173.125 176.092 -2.967 1
1 1202 . 3 1 1 A 99 99 TYR CA C 99 58.064 59.036 -0.972 1
1 1203 . 3 1 1 A 99 99 TYR CB C 99 39.570 38.627 0.943 1
1 1204 . 3 1 1 A 99 99 TYR N N 99 116.640 118.263 -1.623 1
1 1205 . 3 1 1 A 100 100 GLY H H 100 7.802 7.516 0.286 1
1 1206 . 3 1 1 A 100 100 GLY HA2 H 100 3.223 4.082 -0.859 1
1 1207 . 3 1 1 A 100 100 GLY HA3 H 100 4.309 4.135 0.174 1
1 1208 . 3 1 1 A 100 100 GLY C C 100 173.213 173.827 -0.614 1
1 1209 . 3 1 1 A 100 100 GLY CA C 100 45.062 44.958 0.104 1
1 1210 . 3 1 1 A 100 100 GLY N N 100 110.998 106.589 4.409 1
1 1211 . 3 1 1 A 101 101 TYR H H 101 9.407 8.637 0.770 1
1 1212 . 3 1 1 A 101 101 TYR HA H 101 4.443 4.895 -0.452 1
1 1219 . 3 1 1 A 101 101 TYR C C 101 176.014 176.931 -0.917 1
1 1220 . 3 1 1 A 101 101 TYR CA C 101 58.944 58.343 0.601 1
1 1221 . 3 1 1 A 101 101 TYR CB C 101 37.732 37.915 -0.183 1
1 1222 . 3 1 1 A 101 101 TYR N N 101 126.439 118.518 7.921 1
1 1223 . 3 1 1 A 102 102 GLY H H 102 8.231 7.947 0.284 1
1 1224 . 3 1 1 A 102 102 GLY HA2 H 102 4.001 3.831 0.170 1
1 1225 . 3 1 1 A 102 102 GLY HA3 H 102 3.715 3.861 -0.146 1
1 1226 . 3 1 1 A 102 102 GLY C C 102 175.685 175.415 0.270 1
1 1227 . 3 1 1 A 102 102 GLY CA C 102 46.447 47.253 -0.806 1
1 1228 . 3 1 1 A 102 102 GLY N N 102 107.138 109.483 -2.345 1
1 1229 . 3 1 1 A 103 103 ASP H H 103 8.983 7.933 1.050 1
1 1230 . 3 1 1 A 103 103 ASP HA H 103 4.277 4.342 -0.065 1
1 1233 . 3 1 1 A 103 103 ASP C C 103 176.677 178.245 -1.568 1
1 1234 . 3 1 1 A 103 103 ASP CA C 103 56.352 56.780 -0.428 1
1 1235 . 3 1 1 A 103 103 ASP CB C 103 40.640 40.546 0.094 1
1 1236 . 3 1 1 A 103 103 ASP N N 103 124.954 121.780 3.174 1
1 1237 . 3 1 1 A 104 104 GLU H H 104 8.552 7.755 0.797 1
1 1238 . 3 1 1 A 104 104 GLU HA H 104 4.139 4.397 -0.258 1
1 1243 . 3 1 1 A 104 104 GLU C C 104 179.142 176.581 2.561 1
1 1244 . 3 1 1 A 104 104 GLU CA C 104 58.100 57.403 0.697 1
1 1245 . 3 1 1 A 104 104 GLU CB C 104 30.076 30.952 -0.876 1
1 1247 . 3 1 1 A 104 104 GLU N N 104 117.531 117.814 -0.283 1
1 1248 . 3 1 1 A 105 105 GLY H H 105 7.188 8.425 -1.237 1
1 1249 . 3 1 1 A 105 105 GLY HA2 H 105 3.137 4.047 -0.910 1
1 1250 . 3 1 1 A 105 105 GLY HA3 H 105 4.012 4.062 -0.050 1
1 1251 . 3 1 1 A 105 105 GLY C C 105 171.730 174.676 -2.946 1
1 1252 . 3 1 1 A 105 105 GLY CA C 105 44.214 45.080 -0.866 1
1 1253 . 3 1 1 A 105 105 GLY N N 105 104.168 107.714 -3.546 1
1 1254 . 3 1 1 A 106 106 CYS H H 106 9.026 7.938 1.088 1
1 1255 . 3 1 1 A 106 106 CYS HA H 106 4.253 4.417 -0.164 1
1 1258 . 3 1 1 A 106 106 CYS C C 106 173.438 174.455 -1.017 1
1 1259 . 3 1 1 A 106 106 CYS CA C 106 57.814 59.228 -1.414 1
1 1260 . 3 1 1 A 106 106 CYS CB C 106 26.162 27.885 -1.723 1
1 1261 . 3 1 1 A 106 106 CYS N N 106 121.949 120.501 1.448 1
1 1262 . 3 1 1 A 107 107 GLY H H 107 8.584 8.542 0.042 1
1 1263 . 3 1 1 A 107 107 GLY HA2 H 107 3.706 4.494 -0.788 1
1 1264 . 3 1 1 A 107 107 GLY HA3 H 107 3.954 4.517 -0.563 1
1 1265 . 3 1 1 A 107 107 GLY C C 107 173.461 174.952 -1.491 1
1 1266 . 3 1 1 A 107 107 GLY CA C 107 45.258 44.713 0.545 1
1 1267 . 3 1 1 A 107 107 GLY N N 107 114.561 112.958 1.603 1
1 1268 . 3 1 1 A 108 108 GLU H H 108 8.503 9.159 -0.656 1
1 1269 . 3 1 1 A 108 108 GLU HA H 108 4.051 3.869 0.182 1
1 1274 . 3 1 1 A 108 108 GLU C C 108 178.118 177.830 0.288 1
1 1275 . 3 1 1 A 108 108 GLU CA C 108 57.478 59.212 -1.734 1
1 1276 . 3 1 1 A 108 108 GLU CB C 108 29.835 29.803 0.032 1
1 1278 . 3 1 1 A 108 108 GLU N N 108 119.609 123.293 -3.684 1
1 1279 . 3 1 1 A 109 109 SER H H 109 8.082 8.208 -0.126 1
1 1280 . 3 1 1 A 109 109 SER HA H 109 4.127 4.669 -0.542 1
1 1283 . 3 1 1 A 109 109 SER C C 109 173.569 173.882 -0.313 1
1 1284 . 3 1 1 A 109 109 SER CA C 109 60.141 59.666 0.475 1
1 1285 . 3 1 1 A 109 109 SER CB C 109 63.935 64.351 -0.416 1
1 1286 . 3 1 1 A 109 109 SER N N 109 112.186 114.244 -2.058 1
1 1287 . 3 1 1 A 110 110 ILE H H 110 6.570 7.978 -1.408 1
1 1288 . 3 1 1 A 110 110 ILE HA H 110 4.235 4.672 -0.437 1
1 1298 . 3 1 1 A 110 110 ILE CA C 110 58.031 57.406 0.625 1
1 1299 . 3 1 1 A 110 110 ILE CB C 110 39.086 40.621 -1.535 1
1 1303 . 3 1 1 A 110 110 ILE N N 110 116.937 115.815 1.122 1
1 1304 . 3 1 1 A 111 111 PRO HA H 111 4.510 4.371 0.139 1
1 1311 . 3 1 1 A 111 111 PRO C C 111 179.076 177.903 1.173 1
1 1312 . 3 1 1 A 111 111 PRO CA C 111 61.703 65.704 -4.001 1
1 1313 . 3 1 1 A 111 111 PRO CB C 111 32.729 31.799 0.930 1
1 1316 . 3 1 1 A 112 112 GLY H H 112 9.018 7.967 1.051 1
1 1317 . 3 1 1 A 112 112 GLY HA2 H 112 3.461 3.945 -0.484 1
1 1318 . 3 1 1 A 112 112 GLY HA3 H 112 3.714 3.946 -0.232 1
1 1319 . 3 1 1 A 112 112 GLY C C 112 172.723 174.511 -1.788 1
1 1320 . 3 1 1 A 112 112 GLY CA C 112 46.262 45.529 0.733 1
1 1321 . 3 1 1 A 112 112 GLY N N 112 111.592 108.456 3.136 1
1 1322 . 3 1 1 A 113 113 ASN H H 113 8.381 8.532 -0.151 1
1 1323 . 3 1 1 A 113 113 ASN HA H 113 4.278 4.345 -0.067 1
1 1328 . 3 1 1 A 113 113 ASN C C 113 174.643 173.888 0.755 1
1 1329 . 3 1 1 A 113 113 ASN CA C 113 54.388 54.754 -0.366 1
1 1330 . 3 1 1 A 113 113 ASN CB C 113 37.204 37.178 0.026 1
1 1331 . 3 1 1 A 113 113 ASN N N 113 116.937 112.707 4.230 1
1 1333 . 3 1 1 A 114 114 SER H H 114 7.617 7.412 0.205 1
1 1334 . 3 1 1 A 114 114 SER HA H 114 4.517 4.818 -0.301 1
1 1337 . 3 1 1 A 114 114 SER C C 114 172.904 173.047 -0.143 1
1 1338 . 3 1 1 A 114 114 SER CA C 114 59.864 56.674 3.190 1
1 1339 . 3 1 1 A 114 114 SER CB C 114 64.678 65.513 -0.835 1
1 1340 . 3 1 1 A 114 114 SER N N 114 113.077 110.713 2.364 1
1 1341 . 3 1 1 A 115 115 VAL H H 115 8.500 8.546 -0.046 1
1 1342 . 3 1 1 A 115 115 VAL HA H 115 4.341 5.437 -1.096 1
1 1350 . 3 1 1 A 115 115 VAL C C 115 176.075 173.978 2.097 1
1 1351 . 3 1 1 A 115 115 VAL CA C 115 62.705 59.723 2.982 1
1 1352 . 3 1 1 A 115 115 VAL CB C 115 31.546 34.063 -2.517 1
1 1355 . 3 1 1 A 115 115 VAL N N 115 124.360 120.788 3.572 1
1 1356 . 3 1 1 A 116 116 LEU H H 116 9.104 9.160 -0.056 1
1 1357 . 3 1 1 A 116 116 LEU HA H 116 5.002 4.874 0.128 1
1 1367 . 3 1 1 A 116 116 LEU C C 116 174.923 175.709 -0.786 1
1 1368 . 3 1 1 A 116 116 LEU CA C 116 53.123 53.286 -0.163 1
1 1369 . 3 1 1 A 116 116 LEU CB C 116 45.379 44.986 0.393 1
1 1373 . 3 1 1 A 116 116 LEU N N 116 128.814 129.809 -0.995 1
1 1374 . 3 1 1 A 117 117 LEU H H 117 9.009 8.584 0.425 1
1 1375 . 3 1 1 A 117 117 LEU HA H 117 5.601 4.943 0.658 1
1 1385 . 3 1 1 A 117 117 LEU C C 117 176.574 174.972 1.602 1
1 1386 . 3 1 1 A 117 117 LEU CA C 117 52.750 52.566 0.184 1
1 1387 . 3 1 1 A 117 117 LEU CB C 117 44.693 43.212 1.481 1
1 1391 . 3 1 1 A 117 117 LEU N N 117 121.391 121.456 -0.065 1
1 1392 . 3 1 1 A 118 118 PHE H H 118 9.375 8.918 0.457 1
1 1393 . 3 1 1 A 118 118 PHE HA H 118 6.155 4.995 1.160 1
1 1401 . 3 1 1 A 118 118 PHE C C 118 176.518 175.339 1.179 1
1 1402 . 3 1 1 A 118 118 PHE CA C 118 55.411 56.372 -0.961 1
1 1403 . 3 1 1 A 118 118 PHE CB C 118 42.385 41.625 0.760 1
1 1404 . 3 1 1 A 118 118 PHE N N 118 117.531 123.002 -5.471 1
1 1405 . 3 1 1 A 119 119 GLU H H 119 8.905 9.821 -0.916 1
1 1406 . 3 1 1 A 119 119 GLU HA H 119 5.604 4.744 0.860 1
1 1411 . 3 1 1 A 119 119 GLU C C 119 175.947 175.625 0.322 1
1 1412 . 3 1 1 A 119 119 GLU CA C 119 60.489 56.620 3.869 1
1 1413 . 3 1 1 A 119 119 GLU CB C 119 31.189 30.262 0.927 1
1 1415 . 3 1 1 A 119 119 GLU N N 119 122.876 123.845 -0.969 1
1 1416 . 3 1 1 A 120 120 ILE H H 120 8.912 9.002 -0.090 1
1 1417 . 3 1 1 A 120 120 ILE HA H 120 4.965 4.881 0.084 1
1 1427 . 3 1 1 A 120 120 ILE C C 120 173.341 175.303 -1.962 1
1 1428 . 3 1 1 A 120 120 ILE CA C 120 60.568 60.243 0.325 1
1 1429 . 3 1 1 A 120 120 ILE CB C 120 41.927 38.941 2.986 1
1 1433 . 3 1 1 A 120 120 ILE N N 120 123.000 126.970 -3.970 1
1 1434 . 3 1 1 A 121 121 GLU H H 121 9.074 8.610 0.464 1
1 1435 . 3 1 1 A 121 121 GLU HA H 121 5.445 4.991 0.454 1
1 1440 . 3 1 1 A 121 121 GLU C C 121 175.254 174.626 0.628 1
1 1441 . 3 1 1 A 121 121 GLU CA C 121 53.941 54.577 -0.636 1
1 1442 . 3 1 1 A 121 121 GLU CB C 121 33.897 33.394 0.503 1
1 1444 . 3 1 1 A 121 121 GLU N N 121 128.221 126.873 1.348 1
1 1445 . 3 1 1 A 122 122 LEU H H 122 8.112 8.698 -0.586 1
1 1446 . 3 1 1 A 122 122 LEU HA H 122 4.680 4.537 0.143 1
1 1456 . 3 1 1 A 122 122 LEU C C 122 174.472 177.065 -2.593 1
1 1457 . 3 1 1 A 122 122 LEU CA C 122 54.403 54.230 0.173 1
1 1458 . 3 1 1 A 122 122 LEU CB C 122 40.796 41.960 -1.164 1
1 1462 . 3 1 1 A 122 122 LEU N N 122 127.033 126.743 0.290 1
1 1463 . 3 1 1 A 123 123 LEU H H 123 8.704 8.383 0.321 1
1 1464 . 3 1 1 A 123 123 LEU HA H 123 4.385 4.472 -0.087 1
1 1474 . 3 1 1 A 123 123 LEU C C 123 177.614 177.174 0.440 1
1 1475 . 3 1 1 A 123 123 LEU CA C 123 57.095 55.388 1.707 1
1 1476 . 3 1 1 A 123 123 LEU CB C 123 42.226 42.558 -0.332 1
1 1480 . 3 1 1 A 123 123 LEU N N 123 128.814 123.102 5.712 1
1 1481 . 3 1 1 A 124 124 SER H H 124 7.602 7.531 0.071 1
1 1482 . 3 1 1 A 124 124 SER HA H 124 4.161 5.159 -0.998 1
1 1485 . 3 1 1 A 124 124 SER C C 124 171.375 172.900 -1.525 1
1 1486 . 3 1 1 A 124 124 SER CA C 124 57.545 57.711 -0.166 1
1 1487 . 3 1 1 A 124 124 SER CB C 124 63.359 67.018 -3.659 1
1 1488 . 3 1 1 A 124 124 SER N N 124 105.653 114.907 -9.254 1
1 1489 . 3 1 1 A 125 125 PHE H H 125 7.818 8.937 -1.119 1
1 1490 . 3 1 1 A 125 125 PHE HA H 125 5.451 5.302 0.149 1
1 1498 . 3 1 1 A 125 125 PHE C C 125 173.154 173.158 -0.004 1
1 1499 . 3 1 1 A 125 125 PHE CA C 125 56.463 56.170 0.293 1
1 1500 . 3 1 1 A 125 125 PHE CB C 125 42.301 41.648 0.653 1
1 1501 . 3 1 1 A 125 125 PHE N N 125 113.373 120.083 -6.710 1
1 1502 . 3 1 1 A 126 126 ARG H H 126 8.934 8.691 0.243 1
1 1503 . 3 1 1 A 126 126 ARG HA H 126 4.693 4.787 -0.094 1
1 1510 . 3 1 1 A 126 126 ARG C C 126 174.013 174.136 -0.123 1
1 1511 . 3 1 1 A 126 126 ARG CA C 126 54.654 54.588 0.066 1
1 1512 . 3 1 1 A 126 126 ARG CB C 126 33.064 33.410 -0.346 1
1 1515 . 3 1 1 A 126 126 ARG N N 126 116.046 118.324 -2.278 1
1 1516 . 3 1 1 A 127 127 GLU H H 127 8.665 8.583 0.082 1
1 1517 . 3 1 1 A 127 127 GLU HA H 127 4.436 4.750 -0.314 1
1 1522 . 3 1 1 A 127 127 GLU C C 127 176.050 175.700 0.350 1
1 1523 . 3 1 1 A 127 127 GLU CA C 127 55.552 56.034 -0.482 1
1 1524 . 3 1 1 A 127 127 GLU CB C 127 30.600 30.749 -0.149 1
1 1 . 4 1 1 A 2 2 THR HA H 2 4.479 4.460 0.019 1
1 6 . 4 1 1 A 2 2 THR C C 2 174.348 174.170 0.178 1
1 7 . 4 1 1 A 2 2 THR CA C 2 61.838 61.598 0.240 1
1 8 . 4 1 1 A 2 2 THR CB C 2 69.919 68.764 1.155 1
1 10 . 4 1 1 A 3 3 THR H H 3 8.289 9.028 -0.739 1
1 11 . 4 1 1 A 3 3 THR HA H 3 4.282 4.853 -0.571 1
1 16 . 4 1 1 A 3 3 THR C C 3 174.404 173.736 0.668 1
1 17 . 4 1 1 A 3 3 THR CA C 3 62.140 61.751 0.389 1
1 18 . 4 1 1 A 3 3 THR CB C 3 69.658 69.548 0.110 1
1 20 . 4 1 1 A 3 3 THR N N 3 116.640 121.958 -5.318 1
1 21 . 4 1 1 A 4 4 GLU H H 4 8.567 8.903 -0.336 1
1 22 . 4 1 1 A 4 4 GLU HA H 4 4.156 4.783 -0.627 1
1 27 . 4 1 1 A 4 4 GLU C C 4 176.216 176.457 -0.241 1
1 28 . 4 1 1 A 4 4 GLU CA C 4 56.929 54.372 2.557 1
1 29 . 4 1 1 A 4 4 GLU CB C 4 29.821 31.880 -2.059 1
1 31 . 4 1 1 A 4 4 GLU N N 4 123.469 126.811 -3.342 1
1 32 . 4 1 1 A 5 5 GLN H H 5 8.222 8.381 -0.159 1
1 33 . 4 1 1 A 5 5 GLN HA H 5 4.167 4.386 -0.219 1
1 40 . 4 1 1 A 5 5 GLN C C 5 175.216 175.296 -0.080 1
1 41 . 4 1 1 A 5 5 GLN CA C 5 55.674 55.748 -0.074 1
1 42 . 4 1 1 A 5 5 GLN CB C 5 29.553 29.141 0.412 1
1 45 . 4 1 1 A 5 5 GLN N N 5 120.797 121.794 -0.997 1
1 47 . 4 1 1 A 6 6 GLU H H 6 8.171 8.523 -0.352 1
1 48 . 4 1 1 A 6 6 GLU HA H 6 4.080 4.554 -0.474 1
1 53 . 4 1 1 A 6 6 GLU C C 6 175.870 175.636 0.234 1
1 54 . 4 1 1 A 6 6 GLU CA C 6 56.400 55.800 0.600 1
1 55 . 4 1 1 A 6 6 GLU CB C 6 30.335 30.295 0.040 1
1 57 . 4 1 1 A 6 6 GLU N N 6 122.100 123.549 -1.449 1
1 58 . 4 1 1 A 7 7 PHE H H 7 8.051 8.914 -0.863 1
1 59 . 4 1 1 A 7 7 PHE HA H 7 4.710 4.924 -0.214 1
1 67 . 4 1 1 A 7 7 PHE C C 7 175.461 174.800 0.661 1
1 68 . 4 1 1 A 7 7 PHE CA C 7 56.825 56.564 0.261 1
1 69 . 4 1 1 A 7 7 PHE CB C 7 39.812 42.476 -2.664 1
1 70 . 4 1 1 A 7 7 PHE N N 7 120.500 122.916 -2.416 1
1 71 . 4 1 1 A 8 8 GLU H H 8 8.626 8.699 -0.073 1
1 72 . 4 1 1 A 8 8 GLU HA H 8 4.193 4.527 -0.334 1
1 77 . 4 1 1 A 8 8 GLU C C 8 176.141 175.979 0.162 1
1 78 . 4 1 1 A 8 8 GLU CA C 8 56.932 56.539 0.393 1
1 79 . 4 1 1 A 8 8 GLU CB C 8 30.794 30.529 0.265 1
1 81 . 4 1 1 A 8 8 GLU N N 8 123.469 123.550 -0.081 1
1 82 . 4 1 1 A 9 9 LYS H H 9 8.396 8.602 -0.206 1
1 83 . 4 1 1 A 9 9 LYS HA H 9 5.100 5.029 0.071 1
1 92 . 4 1 1 A 9 9 LYS C C 9 176.168 175.148 1.020 1
1 93 . 4 1 1 A 9 9 LYS CA C 9 55.428 55.006 0.422 1
1 94 . 4 1 1 A 9 9 LYS CB C 9 34.214 35.337 -1.123 1
1 98 . 4 1 1 A 9 9 LYS N N 9 124.954 124.862 0.092 1
1 99 . 4 1 1 A 10 10 VAL H H 10 9.445 9.357 0.088 1
1 100 . 4 1 1 A 10 10 VAL HA H 10 4.278 4.571 -0.293 1
1 108 . 4 1 1 A 10 10 VAL C C 10 174.967 174.948 0.019 1
1 109 . 4 1 1 A 10 10 VAL CA C 10 60.951 61.641 -0.690 1
1 110 . 4 1 1 A 10 10 VAL CB C 10 34.681 32.586 2.095 1
1 113 . 4 1 1 A 10 10 VAL N N 10 124.360 124.013 0.347 1
1 114 . 4 1 1 A 11 11 GLU H H 11 9.021 8.689 0.332 1
1 115 . 4 1 1 A 11 11 GLU HA H 11 4.369 4.790 -0.421 1
1 120 . 4 1 1 A 11 11 GLU C C 11 174.797 175.996 -1.199 1
1 121 . 4 1 1 A 11 11 GLU CA C 11 56.728 55.314 1.414 1
1 122 . 4 1 1 A 11 11 GLU CB C 11 28.655 31.221 -2.566 1
1 124 . 4 1 1 A 11 11 GLU N N 11 127.924 127.292 0.632 1
1 125 . 4 1 1 A 12 12 LEU H H 12 8.396 8.731 -0.335 1
1 126 . 4 1 1 A 12 12 LEU HA H 12 4.311 3.847 0.464 1
1 136 . 4 1 1 A 12 12 LEU C C 12 176.600 175.528 1.072 1
1 137 . 4 1 1 A 12 12 LEU CA C 12 55.292 55.903 -0.611 1
1 138 . 4 1 1 A 12 12 LEU CB C 12 42.624 40.690 1.934 1
1 142 . 4 1 1 A 12 12 LEU N N 12 124.954 119.315 5.639 1
1 143 . 4 1 1 A 13 13 THR H H 13 7.328 7.789 -0.461 1
1 144 . 4 1 1 A 13 13 THR HA H 13 4.530 4.288 0.242 1
1 149 . 4 1 1 A 13 13 THR C C 13 175.180 176.101 -0.921 1
1 150 . 4 1 1 A 13 13 THR CA C 13 59.603 62.397 -2.794 1
1 151 . 4 1 1 A 13 13 THR CB C 13 70.742 69.234 1.508 1
1 153 . 4 1 1 A 13 13 THR N N 13 106.841 112.632 -5.791 1
1 154 . 4 1 1 A 14 14 ALA H H 14 8.689 8.818 -0.129 1
1 155 . 4 1 1 A 14 14 ALA HA H 14 4.247 4.142 0.105 1
1 159 . 4 1 1 A 14 14 ALA C C 14 177.522 177.740 -0.218 1
1 160 . 4 1 1 A 14 14 ALA CA C 14 53.875 53.526 0.349 1
1 161 . 4 1 1 A 14 14 ALA CB C 14 17.920 18.656 -0.736 1
1 162 . 4 1 1 A 14 14 ALA N N 14 123.733 129.317 -5.584 1
1 163 . 4 1 1 A 15 15 ASP H H 15 7.516 8.011 -0.495 1
1 164 . 4 1 1 A 15 15 ASP HA H 15 4.518 4.836 -0.318 1
1 167 . 4 1 1 A 15 15 ASP C C 15 177.402 176.334 1.068 1
1 168 . 4 1 1 A 15 15 ASP CA C 15 52.635 53.465 -0.830 1
1 169 . 4 1 1 A 15 15 ASP CB C 15 40.912 41.581 -0.669 1
1 170 . 4 1 1 A 15 15 ASP N N 15 113.967 118.126 -4.159 1
1 171 . 4 1 1 A 16 16 GLY H H 16 7.986 7.791 0.195 1
1 172 . 4 1 1 A 16 16 GLY HA2 H 16 4.080 4.008 0.072 1
1 173 . 4 1 1 A 16 16 GLY HA3 H 16 3.529 4.024 -0.495 1
1 174 . 4 1 1 A 16 16 GLY C C 16 175.233 175.358 -0.125 1
1 175 . 4 1 1 A 16 16 GLY CA C 16 45.798 44.977 0.821 1
1 176 . 4 1 1 A 16 16 GLY N N 16 108.919 106.579 2.340 1
1 177 . 4 1 1 A 17 17 GLY H H 17 8.681 8.652 0.029 1
1 178 . 4 1 1 A 17 17 GLY HA2 H 17 4.513 3.880 0.633 1
1 179 . 4 1 1 A 17 17 GLY HA3 H 17 4.513 3.907 0.606 1
1 180 . 4 1 1 A 17 17 GLY C C 17 172.684 174.270 -1.586 1
1 181 . 4 1 1 A 17 17 GLY CA C 17 46.672 46.973 -0.301 1
1 182 . 4 1 1 A 17 17 GLY N N 17 108.663 107.899 0.764 1
1 183 . 4 1 1 A 18 18 VAL H H 18 6.903 7.588 -0.685 1
1 184 . 4 1 1 A 18 18 VAL HA H 18 4.855 4.142 0.713 1
1 192 . 4 1 1 A 18 18 VAL C C 18 174.737 174.606 0.131 1
1 193 . 4 1 1 A 18 18 VAL CA C 18 62.035 60.597 1.438 1
1 194 . 4 1 1 A 18 18 VAL CB C 18 33.315 34.224 -0.909 1
1 197 . 4 1 1 A 18 18 VAL N N 18 117.234 118.822 -1.588 1
1 198 . 4 1 1 A 19 19 ILE H H 19 8.243 8.572 -0.329 1
1 199 . 4 1 1 A 19 19 ILE HA H 19 4.665 4.673 -0.008 1
1 209 . 4 1 1 A 19 19 ILE C C 19 174.360 175.559 -1.199 1
1 210 . 4 1 1 A 19 19 ILE CA C 19 60.736 60.523 0.213 1
1 211 . 4 1 1 A 19 19 ILE CB C 19 41.856 37.249 4.607 1
1 215 . 4 1 1 A 19 19 ILE N N 19 126.439 128.308 -1.869 1
1 216 . 4 1 1 A 20 20 LYS H H 20 9.345 8.847 0.498 1
1 217 . 4 1 1 A 20 20 LYS HA H 20 5.296 5.322 -0.026 1
1 226 . 4 1 1 A 20 20 LYS C C 20 173.618 174.879 -1.261 1
1 227 . 4 1 1 A 20 20 LYS CA C 20 54.842 54.396 0.446 1
1 228 . 4 1 1 A 20 20 LYS CB C 20 36.261 36.183 0.078 1
1 232 . 4 1 1 A 20 20 LYS N N 20 129.408 124.621 4.787 1
1 233 . 4 1 1 A 21 21 THR H H 21 9.597 8.997 0.600 1
1 234 . 4 1 1 A 21 21 THR HA H 21 4.923 4.782 0.141 1
1 239 . 4 1 1 A 21 21 THR C C 21 174.648 174.144 0.504 1
1 240 . 4 1 1 A 21 21 THR CA C 21 61.703 62.313 -0.610 1
1 241 . 4 1 1 A 21 21 THR CB C 21 70.230 70.258 -0.028 1
1 243 . 4 1 1 A 21 21 THR N N 21 123.469 116.944 6.525 1
1 244 . 4 1 1 A 22 22 ILE H H 22 9.248 8.270 0.978 1
1 245 . 4 1 1 A 22 22 ILE HA H 22 3.637 4.241 -0.604 1
1 255 . 4 1 1 A 22 22 ILE C C 22 174.348 174.855 -0.507 1
1 256 . 4 1 1 A 22 22 ILE CA C 22 64.258 62.030 2.228 1
1 257 . 4 1 1 A 22 22 ILE CB C 22 37.551 38.342 -0.791 1
1 261 . 4 1 1 A 22 22 ILE N N 22 128.517 127.990 0.527 1
1 262 . 4 1 1 A 23 23 LEU H H 23 8.498 9.016 -0.518 1
1 263 . 4 1 1 A 23 23 LEU HA H 23 4.180 3.430 0.750 1
1 273 . 4 1 1 A 23 23 LEU C C 23 177.521 176.304 1.217 1
1 274 . 4 1 1 A 23 23 LEU CA C 23 55.460 55.837 -0.377 1
1 275 . 4 1 1 A 23 23 LEU CB C 23 42.239 42.176 0.063 1
1 279 . 4 1 1 A 23 23 LEU N N 23 128.517 130.388 -1.871 1
1 280 . 4 1 1 A 24 24 LYS H H 24 8.020 7.635 0.385 1
1 281 . 4 1 1 A 24 24 LYS HA H 24 4.392 4.727 -0.335 1
1 290 . 4 1 1 A 24 24 LYS C C 24 174.465 174.619 -0.154 1
1 291 . 4 1 1 A 24 24 LYS CA C 24 55.848 54.682 1.166 1
1 292 . 4 1 1 A 24 24 LYS CB C 24 35.692 35.349 0.343 1
1 296 . 4 1 1 A 24 24 LYS N N 24 120.797 116.550 4.247 1
1 297 . 4 1 1 A 25 25 LYS H H 25 8.657 8.748 -0.091 1
1 298 . 4 1 1 A 25 25 LYS HA H 25 4.178 4.939 -0.761 1
1 307 . 4 1 1 A 25 25 LYS C C 25 177.616 176.844 0.772 1
1 308 . 4 1 1 A 25 25 LYS CA C 25 57.218 54.556 2.662 1
1 309 . 4 1 1 A 25 25 LYS CB C 25 32.846 35.285 -2.439 1
1 313 . 4 1 1 A 25 25 LYS N N 25 126.439 124.315 2.124 1
1 314 . 4 1 1 A 26 26 GLY H H 26 9.728 9.244 0.484 1
1 315 . 4 1 1 A 26 26 GLY HA2 H 26 3.408 4.025 -0.617 1
1 316 . 4 1 1 A 26 26 GLY HA3 H 26 4.120 4.033 0.087 1
1 317 . 4 1 1 A 26 26 GLY C C 26 173.278 174.037 -0.759 1
1 318 . 4 1 1 A 26 26 GLY CA C 26 43.709 45.216 -1.507 1
1 319 . 4 1 1 A 26 26 GLY N N 26 110.404 113.740 -3.336 1
1 320 . 4 1 1 A 27 27 ASP H H 27 8.550 9.037 -0.487 1
1 321 . 4 1 1 A 27 27 ASP HA H 27 4.401 4.716 -0.315 1
1 324 . 4 1 1 A 27 27 ASP C C 27 175.993 176.165 -0.172 1
1 325 . 4 1 1 A 27 27 ASP CA C 27 55.105 56.060 -0.955 1
1 326 . 4 1 1 A 27 27 ASP CB C 27 41.688 41.312 0.376 1
1 327 . 4 1 1 A 27 27 ASP N N 27 121.391 123.757 -2.366 1
1 328 . 4 1 1 A 28 28 GLU H H 28 8.419 7.870 0.549 1
1 329 . 4 1 1 A 28 28 GLU HA H 28 4.063 4.656 -0.593 1
1 334 . 4 1 1 A 28 28 GLU C C 28 176.146 176.882 -0.736 1
1 335 . 4 1 1 A 28 28 GLU CA C 28 57.076 55.655 1.421 1
1 336 . 4 1 1 A 28 28 GLU CB C 28 30.774 31.582 -0.808 1
1 338 . 4 1 1 A 28 28 GLU N N 28 120.203 116.123 4.080 1
1 339 . 4 1 1 A 29 29 GLY H H 29 8.364 8.631 -0.267 1
1 340 . 4 1 1 A 29 29 GLY HA2 H 29 4.758 4.227 0.531 1
1 341 . 4 1 1 A 29 29 GLY HA3 H 29 4.584 4.240 0.344 1
1 342 . 4 1 1 A 29 29 GLY C C 29 175.976 175.142 0.834 1
1 343 . 4 1 1 A 29 29 GLY CA C 29 44.686 45.654 -0.968 1
1 344 . 4 1 1 A 29 29 GLY N N 29 110.404 108.527 1.877 1
1 345 . 4 1 1 A 30 30 GLU H H 30 8.867 7.935 0.932 1
1 346 . 4 1 1 A 30 30 GLU HA H 30 3.749 4.179 -0.430 1
1 351 . 4 1 1 A 30 30 GLU C C 30 177.872 177.637 0.235 1
1 352 . 4 1 1 A 30 30 GLU CA C 30 59.045 58.752 0.293 1
1 353 . 4 1 1 A 30 30 GLU CB C 30 29.030 29.569 -0.539 1
1 355 . 4 1 1 A 30 30 GLU N N 30 125.251 120.444 4.807 1
1 356 . 4 1 1 A 31 31 GLU H H 31 9.842 7.813 2.029 1
1 357 . 4 1 1 A 31 31 GLU HA H 31 4.312 4.602 -0.290 1
1 362 . 4 1 1 A 31 31 GLU C C 31 176.330 175.397 0.933 1
1 363 . 4 1 1 A 31 31 GLU CA C 31 57.437 55.935 1.502 1
1 364 . 4 1 1 A 31 31 GLU CB C 31 28.040 30.593 -2.553 1
1 366 . 4 1 1 A 31 31 GLU N N 31 118.421 116.388 2.033 1
1 367 . 4 1 1 A 32 32 ASN H H 32 7.731 7.822 -0.091 1
1 368 . 4 1 1 A 32 32 ASN HA H 32 5.127 5.412 -0.285 1
1 373 . 4 1 1 A 32 32 ASN C C 32 172.750 173.876 -1.126 1
1 374 . 4 1 1 A 32 32 ASN CA C 32 54.111 52.412 1.699 1
1 375 . 4 1 1 A 32 32 ASN CB C 32 40.161 39.706 0.455 1
1 376 . 4 1 1 A 32 32 ASN N N 32 116.937 117.463 -0.526 1
1 378 . 4 1 1 A 33 33 ILE H H 33 7.105 8.833 -1.728 1
1 379 . 4 1 1 A 33 33 ILE HA H 33 4.793 4.555 0.238 1
1 389 . 4 1 1 A 33 33 ILE CA C 33 57.895 57.570 0.325 1
1 390 . 4 1 1 A 33 33 ILE CB C 33 40.609 40.575 0.034 1
1 394 . 4 1 1 A 33 33 ILE N N 33 121.985 125.933 -3.948 1
1 395 . 4 1 1 A 34 34 PRO HA H 34 4.065 4.938 -0.873 1
1 402 . 4 1 1 A 34 34 PRO C C 34 173.754 175.802 -2.048 1
1 403 . 4 1 1 A 34 34 PRO CA C 34 61.962 62.108 -0.146 1
1 404 . 4 1 1 A 34 34 PRO CB C 34 31.877 31.580 0.297 1
1 407 . 4 1 1 A 35 35 LYS H H 35 7.101 8.688 -1.587 1
1 408 . 4 1 1 A 35 35 LYS HA H 35 4.377 4.826 -0.449 1
1 417 . 4 1 1 A 35 35 LYS C C 35 175.712 175.612 0.100 1
1 418 . 4 1 1 A 35 35 LYS CA C 35 53.404 54.495 -1.091 1
1 419 . 4 1 1 A 35 35 LYS CB C 35 35.229 36.480 -1.251 1
1 423 . 4 1 1 A 35 35 LYS N N 35 116.046 123.398 -7.352 1
1 424 . 4 1 1 A 36 36 LYS H H 36 8.144 8.415 -0.271 1
1 425 . 4 1 1 A 36 36 LYS HA H 36 3.515 4.484 -0.969 1
1 434 . 4 1 1 A 36 36 LYS C C 36 176.774 176.909 -0.135 1
1 435 . 4 1 1 A 36 36 LYS CA C 36 58.608 55.638 2.970 1
1 436 . 4 1 1 A 36 36 LYS CB C 36 32.089 33.725 -1.636 1
1 440 . 4 1 1 A 36 36 LYS N N 36 120.797 119.315 1.482 1
1 441 . 4 1 1 A 37 37 GLY H H 37 9.113 8.721 0.392 1
1 442 . 4 1 1 A 37 37 GLY HA2 H 37 3.494 3.997 -0.503 1
1 443 . 4 1 1 A 37 37 GLY HA3 H 37 4.330 3.997 0.333 1
1 444 . 4 1 1 A 37 37 GLY C C 37 175.329 173.519 1.810 1
1 445 . 4 1 1 A 37 37 GLY CA C 37 44.853 45.002 -0.149 1
1 446 . 4 1 1 A 37 37 GLY N N 37 113.967 111.612 2.355 1
1 447 . 4 1 1 A 38 38 ASN H H 38 8.447 7.739 0.708 1
1 448 . 4 1 1 A 38 38 ASN HA H 38 4.663 5.292 -0.629 1
1 453 . 4 1 1 A 38 38 ASN C C 38 174.878 174.014 0.864 1
1 454 . 4 1 1 A 38 38 ASN CA C 38 53.557 51.661 1.896 1
1 455 . 4 1 1 A 38 38 ASN CB C 38 39.155 41.453 -2.298 1
1 457 . 4 1 1 A 38 38 ASN N N 38 117.828 114.081 3.747 1
1 459 . 4 1 1 A 39 39 GLU H H 39 8.331 8.415 -0.084 1
1 460 . 4 1 1 A 39 39 GLU HA H 39 4.254 4.207 0.047 1
1 465 . 4 1 1 A 39 39 GLU C C 39 175.656 175.695 -0.039 1
1 466 . 4 1 1 A 39 39 GLU CA C 39 55.804 55.240 0.564 1
1 467 . 4 1 1 A 39 39 GLU CB C 39 31.464 29.497 1.967 1
1 469 . 4 1 1 A 39 39 GLU N N 39 121.094 118.194 2.900 1
1 470 . 4 1 1 A 40 40 VAL H H 40 9.138 8.539 0.599 1
1 471 . 4 1 1 A 40 40 VAL HA H 40 4.699 5.050 -0.351 1
1 479 . 4 1 1 A 40 40 VAL C C 40 173.240 175.198 -1.958 1
1 480 . 4 1 1 A 40 40 VAL CA C 40 59.559 61.230 -1.671 1
1 481 . 4 1 1 A 40 40 VAL CB C 40 32.896 33.317 -0.421 1
1 484 . 4 1 1 A 40 40 VAL N N 40 125.845 119.868 5.977 1
1 485 . 4 1 1 A 41 41 THR H H 41 8.328 9.707 -1.379 1
1 486 . 4 1 1 A 41 41 THR HA H 41 4.982 4.886 0.096 1
1 491 . 4 1 1 A 41 41 THR C C 41 174.455 173.967 0.488 1
1 492 . 4 1 1 A 41 41 THR CA C 41 61.964 62.263 -0.299 1
1 493 . 4 1 1 A 41 41 THR CB C 41 69.623 69.376 0.247 1
1 495 . 4 1 1 A 41 41 THR N N 41 117.531 122.930 -5.399 1
1 496 . 4 1 1 A 42 42 VAL H H 42 9.581 8.518 1.063 1
1 497 . 4 1 1 A 42 42 VAL HA H 42 5.669 4.752 0.917 1
1 505 . 4 1 1 A 42 42 VAL C C 42 174.919 173.856 1.063 1
1 506 . 4 1 1 A 42 42 VAL CA C 42 57.930 60.622 -2.692 1
1 507 . 4 1 1 A 42 42 VAL CB C 42 35.321 33.828 1.493 1
1 510 . 4 1 1 A 42 42 VAL N N 42 117.828 127.657 -9.829 1
1 511 . 4 1 1 A 43 43 HIS H H 43 8.333 9.277 -0.944 1
1 512 . 4 1 1 A 43 43 HIS HA H 43 5.407 5.382 0.025 1
1 515 . 4 1 1 A 43 43 HIS C C 43 176.136 173.803 2.333 1
1 516 . 4 1 1 A 43 43 HIS CA C 43 54.147 54.906 -0.759 1
1 517 . 4 1 1 A 43 43 HIS CB C 43 35.339 32.899 2.440 1
1 518 . 4 1 1 A 43 43 HIS N N 43 119.906 126.832 -6.926 1
1 519 . 4 1 1 A 44 44 TYR H H 44 9.622 8.861 0.761 1
1 520 . 4 1 1 A 44 44 TYR HA H 44 6.247 6.372 -0.125 1
1 527 . 4 1 1 A 44 44 TYR C C 44 172.857 173.529 -0.672 1
1 528 . 4 1 1 A 44 44 TYR CA C 44 56.304 55.337 0.967 1
1 529 . 4 1 1 A 44 44 TYR CB C 44 43.537 42.554 0.983 1
1 530 . 4 1 1 A 44 44 TYR N N 44 117.234 122.606 -5.372 1
1 531 . 4 1 1 A 45 45 VAL H H 45 8.735 8.372 0.363 1
1 532 . 4 1 1 A 45 45 VAL HA H 45 4.520 4.711 -0.191 1
1 540 . 4 1 1 A 45 45 VAL C C 45 175.200 174.628 0.572 1
1 541 . 4 1 1 A 45 45 VAL CA C 45 62.212 60.307 1.905 1
1 542 . 4 1 1 A 45 45 VAL CB C 45 35.550 34.675 0.875 1
1 545 . 4 1 1 A 45 45 VAL N N 45 118.125 119.371 -1.246 1
1 546 . 4 1 1 A 46 46 GLY H H 46 9.126 8.271 0.855 1
1 547 . 4 1 1 A 46 46 GLY HA2 H 46 4.539 4.209 0.330 1
1 548 . 4 1 1 A 46 46 GLY HA3 H 46 4.506 4.291 0.215 1
1 549 . 4 1 1 A 46 46 GLY C C 46 170.771 171.684 -0.913 1
1 550 . 4 1 1 A 46 46 GLY CA C 46 45.601 46.169 -0.568 1
1 551 . 4 1 1 A 46 46 GLY N N 46 114.858 112.571 2.287 1
1 552 . 4 1 1 A 47 47 LYS H H 47 9.121 8.394 0.727 1
1 553 . 4 1 1 A 47 47 LYS HA H 47 5.176 4.162 1.014 1
1 562 . 4 1 1 A 47 47 LYS C C 47 175.830 173.920 1.910 1
1 563 . 4 1 1 A 47 47 LYS CA C 47 53.937 54.288 -0.351 1
1 564 . 4 1 1 A 47 47 LYS CB C 47 37.021 35.563 1.458 1
1 568 . 4 1 1 A 47 47 LYS N N 47 123.469 118.698 4.771 1
1 569 . 4 1 1 A 48 48 LEU H H 48 8.016 8.813 -0.797 1
1 570 . 4 1 1 A 48 48 LEU HA H 48 4.692 4.475 0.217 1
1 580 . 4 1 1 A 48 48 LEU C C 48 178.031 176.797 1.234 1
1 581 . 4 1 1 A 48 48 LEU CA C 48 54.231 54.312 -0.081 1
1 582 . 4 1 1 A 48 48 LEU CB C 48 41.678 41.977 -0.299 1
1 586 . 4 1 1 A 48 48 LEU N N 48 121.391 122.846 -1.455 1
1 587 . 4 1 1 A 49 49 GLU H H 49 8.085 8.639 -0.554 1
1 588 . 4 1 1 A 49 49 GLU HA H 49 3.835 3.920 -0.085 1
1 593 . 4 1 1 A 49 49 GLU C C 49 178.118 178.184 -0.066 1
1 594 . 4 1 1 A 49 49 GLU CA C 49 59.974 59.381 0.593 1
1 595 . 4 1 1 A 49 49 GLU CB C 49 30.322 29.276 1.046 1
1 597 . 4 1 1 A 49 49 GLU N N 49 124.954 127.328 -2.374 1
1 598 . 4 1 1 A 50 50 SER H H 50 9.220 8.126 1.094 1
1 599 . 4 1 1 A 50 50 SER HA H 50 4.154 4.246 -0.092 1
1 602 . 4 1 1 A 50 50 SER C C 50 176.751 175.543 1.208 1
1 603 . 4 1 1 A 50 50 SER CA C 50 60.230 60.841 -0.611 1
1 604 . 4 1 1 A 50 50 SER CB C 50 62.229 63.196 -0.967 1
1 605 . 4 1 1 A 50 50 SER N N 50 112.186 115.170 -2.984 1
1 606 . 4 1 1 A 51 51 THR H H 51 6.784 7.588 -0.804 1
1 607 . 4 1 1 A 51 51 THR HA H 51 4.520 4.598 -0.078 1
1 612 . 4 1 1 A 51 51 THR C C 51 176.342 174.918 1.424 1
1 613 . 4 1 1 A 51 51 THR CA C 51 60.760 61.446 -0.686 1
1 614 . 4 1 1 A 51 51 THR CB C 51 71.046 70.170 0.876 1
1 616 . 4 1 1 A 51 51 THR N N 51 105.653 113.349 -7.696 1
1 617 . 4 1 1 A 52 52 GLY H H 52 8.296 7.681 0.615 1
1 618 . 4 1 1 A 52 52 GLY HA2 H 52 3.680 3.907 -0.227 1
1 619 . 4 1 1 A 52 52 GLY HA3 H 52 4.096 3.916 0.180 1
1 620 . 4 1 1 A 52 52 GLY C C 52 173.336 174.514 -1.178 1
1 621 . 4 1 1 A 52 52 GLY CA C 52 45.711 46.728 -1.017 1
1 622 . 4 1 1 A 52 52 GLY N N 52 112.483 110.890 1.593 1
1 623 . 4 1 1 A 53 53 LYS H H 53 7.479 7.742 -0.263 1
1 624 . 4 1 1 A 53 53 LYS HA H 53 4.218 4.630 -0.412 1
1 633 . 4 1 1 A 53 53 LYS C C 53 176.513 175.958 0.555 1
1 634 . 4 1 1 A 53 53 LYS CA C 53 56.217 55.153 1.064 1
1 635 . 4 1 1 A 53 53 LYS CB C 53 33.430 34.401 -0.971 1
1 639 . 4 1 1 A 53 53 LYS N N 53 119.609 120.255 -0.646 1
1 640 . 4 1 1 A 54 54 VAL H H 54 8.511 8.528 -0.017 1
1 641 . 4 1 1 A 54 54 VAL HA H 54 4.244 4.151 0.093 1
1 649 . 4 1 1 A 54 54 VAL C C 54 176.879 176.463 0.416 1
1 650 . 4 1 1 A 54 54 VAL CA C 54 62.409 62.638 -0.229 1
1 651 . 4 1 1 A 54 54 VAL CB C 54 32.697 32.776 -0.079 1
1 654 . 4 1 1 A 54 54 VAL N N 54 126.109 126.402 -0.293 1
1 655 . 4 1 1 A 55 55 PHE H H 55 8.325 8.806 -0.481 1
1 656 . 4 1 1 A 55 55 PHE HA H 55 5.036 4.864 0.172 1
1 664 . 4 1 1 A 55 55 PHE C C 55 174.856 175.107 -0.251 1
1 665 . 4 1 1 A 55 55 PHE CA C 55 55.758 58.200 -2.442 1
1 666 . 4 1 1 A 55 55 PHE CB C 55 40.399 39.934 0.465 1
1 667 . 4 1 1 A 55 55 PHE N N 55 124.063 125.901 -1.838 1
1 668 . 4 1 1 A 56 56 ASP H H 56 6.884 9.115 -2.231 1
1 669 . 4 1 1 A 56 56 ASP HA H 56 4.801 5.492 -0.691 1
1 672 . 4 1 1 A 56 56 ASP C C 56 173.688 174.304 -0.616 1
1 673 . 4 1 1 A 56 56 ASP CA C 56 54.956 53.153 1.803 1
1 674 . 4 1 1 A 56 56 ASP CB C 56 43.616 41.782 1.834 1
1 675 . 4 1 1 A 56 56 ASP N N 56 120.500 122.966 -2.466 1
1 676 . 4 1 1 A 57 57 SER H H 57 8.038 9.373 -1.335 1
1 677 . 4 1 1 A 57 57 SER HA H 57 4.796 5.021 -0.225 1
1 680 . 4 1 1 A 57 57 SER C C 57 174.997 174.435 0.562 1
1 681 . 4 1 1 A 57 57 SER CA C 57 55.792 57.510 -1.718 1
1 682 . 4 1 1 A 57 57 SER CB C 57 64.961 67.227 -2.266 1
1 683 . 4 1 1 A 57 57 SER N N 57 118.421 119.989 -1.568 1
1 684 . 4 1 1 A 58 58 SER H H 58 8.429 9.004 -0.575 1
1 685 . 4 1 1 A 58 58 SER HA H 58 4.080 4.185 -0.105 1
1 688 . 4 1 1 A 58 58 SER C C 58 177.399 175.825 1.574 1
1 689 . 4 1 1 A 58 58 SER CA C 58 61.499 60.701 0.798 1
1 690 . 4 1 1 A 58 58 SER CB C 58 65.069 62.750 2.319 1
1 691 . 4 1 1 A 58 58 SER N N 58 123.766 118.543 5.223 1
1 692 . 4 1 1 A 59 59 PHE H H 59 7.276 7.665 -0.389 1
1 693 . 4 1 1 A 59 59 PHE HA H 59 3.851 4.447 -0.596 1
1 701 . 4 1 1 A 59 59 PHE C C 59 178.929 178.244 0.685 1
1 702 . 4 1 1 A 59 59 PHE CA C 59 61.010 60.005 1.005 1
1 703 . 4 1 1 A 59 59 PHE CB C 59 38.129 39.822 -1.693 1
1 704 . 4 1 1 A 59 59 PHE N N 59 121.845 119.052 2.793 1
1 705 . 4 1 1 A 60 60 ASP H H 60 7.534 8.778 -1.244 1
1 706 . 4 1 1 A 60 60 ASP HA H 60 4.343 4.427 -0.084 1
1 709 . 4 1 1 A 60 60 ASP C C 60 177.295 177.651 -0.356 1
1 710 . 4 1 1 A 60 60 ASP CA C 60 56.921 56.970 -0.049 1
1 711 . 4 1 1 A 60 60 ASP CB C 60 40.298 40.246 0.052 1
1 712 . 4 1 1 A 60 60 ASP N N 60 119.015 119.727 -0.712 1
1 713 . 4 1 1 A 61 61 ARG H H 61 7.224 8.114 -0.890 1
1 714 . 4 1 1 A 61 61 ARG HA H 61 4.378 4.259 0.119 1
1 721 . 4 1 1 A 61 61 ARG C C 61 175.798 177.166 -1.368 1
1 722 . 4 1 1 A 61 61 ARG CA C 61 55.209 57.307 -2.098 1
1 723 . 4 1 1 A 61 61 ARG CB C 61 32.610 30.246 2.364 1
1 726 . 4 1 1 A 61 61 ARG N N 61 115.452 118.163 -2.711 1
1 727 . 4 1 1 A 62 62 ASN H H 62 7.946 8.722 -0.776 1
1 728 . 4 1 1 A 62 62 ASN HA H 62 4.392 4.991 -0.599 1
1 733 . 4 1 1 A 62 62 ASN C C 62 173.776 174.614 -0.838 1
1 734 . 4 1 1 A 62 62 ASN CA C 62 54.269 54.779 -0.510 1
1 735 . 4 1 1 A 62 62 ASN CB C 62 38.597 40.622 -2.025 1
1 737 . 4 1 1 A 62 62 ASN N N 62 115.196 117.651 -2.455 1
1 739 . 4 1 1 A 63 63 VAL H H 63 7.278 7.980 -0.702 1
1 740 . 4 1 1 A 63 63 VAL HA H 63 4.628 4.605 0.023 1
1 748 . 4 1 1 A 63 63 VAL CA C 63 62.601 59.068 3.533 1
1 749 . 4 1 1 A 63 63 VAL CB C 63 35.186 33.499 1.687 1
1 752 . 4 1 1 A 63 63 VAL N N 63 115.155 115.143 0.012 1
1 753 . 4 1 1 A 64 64 PRO HA H 64 4.516 5.105 -0.589 1
1 760 . 4 1 1 A 64 64 PRO C C 64 174.254 176.318 -2.064 1
1 761 . 4 1 1 A 64 64 PRO CA C 64 62.601 62.578 0.023 1
1 762 . 4 1 1 A 64 64 PRO CB C 64 31.977 31.949 0.028 1
1 765 . 4 1 1 A 65 65 PHE H H 65 9.109 8.895 0.214 1
1 766 . 4 1 1 A 65 65 PHE HA H 65 4.821 4.967 -0.146 1
1 774 . 4 1 1 A 65 65 PHE C C 65 173.320 174.715 -1.395 1
1 775 . 4 1 1 A 65 65 PHE CA C 65 57.292 57.950 -0.658 1
1 776 . 4 1 1 A 65 65 PHE CB C 65 42.894 41.106 1.788 1
1 777 . 4 1 1 A 65 65 PHE N N 65 123.469 123.104 0.365 1
1 778 . 4 1 1 A 66 66 LYS H H 66 7.474 8.737 -1.263 1
1 779 . 4 1 1 A 66 66 LYS HA H 66 5.378 5.525 -0.147 1
1 788 . 4 1 1 A 66 66 LYS C C 66 175.026 174.664 0.362 1
1 789 . 4 1 1 A 66 66 LYS CA C 66 53.876 54.683 -0.807 1
1 790 . 4 1 1 A 66 66 LYS CB C 66 35.471 36.939 -1.468 1
1 794 . 4 1 1 A 66 66 LYS N N 66 125.548 122.489 3.059 1
1 795 . 4 1 1 A 67 67 PHE H H 67 8.114 8.403 -0.289 1
1 796 . 4 1 1 A 67 67 PHE HA H 67 4.469 5.291 -0.822 1
1 804 . 4 1 1 A 67 67 PHE C C 67 172.049 172.276 -0.227 1
1 805 . 4 1 1 A 67 67 PHE CA C 67 55.662 55.425 0.237 1
1 806 . 4 1 1 A 67 67 PHE CB C 67 40.087 42.178 -2.091 1
1 807 . 4 1 1 A 67 67 PHE N N 67 115.419 116.920 -1.501 1
1 808 . 4 1 1 A 68 68 HIS H H 68 8.983 9.117 -0.134 1
1 809 . 4 1 1 A 68 68 HIS HA H 68 5.482 5.347 0.135 1
1 812 . 4 1 1 A 68 68 HIS C C 68 174.742 174.485 0.257 1
1 813 . 4 1 1 A 68 68 HIS CA C 68 55.348 54.028 1.320 1
1 814 . 4 1 1 A 68 68 HIS CB C 68 28.470 32.831 -4.361 1
1 815 . 4 1 1 A 68 68 HIS N N 68 118.421 116.863 1.558 1
1 816 . 4 1 1 A 69 69 LEU H H 69 8.317 8.664 -0.347 1
1 817 . 4 1 1 A 69 69 LEU HA H 69 4.016 4.229 -0.213 1
1 827 . 4 1 1 A 69 69 LEU CA C 69 56.060 55.987 0.073 1
1 828 . 4 1 1 A 69 69 LEU CB C 69 42.903 42.186 0.717 1
1 832 . 4 1 1 A 69 69 LEU N N 69 126.736 124.439 2.297 1
1 833 . 4 1 1 A 70 70 GLU H H 70 9.618 9.145 0.473 1
1 834 . 4 1 1 A 70 70 GLU HA H 70 3.847 3.912 -0.065 1
1 839 . 4 1 1 A 70 70 GLU C C 70 174.818 177.192 -2.374 1
1 840 . 4 1 1 A 70 70 GLU CA C 70 58.625 57.437 1.188 1
1 841 . 4 1 1 A 70 70 GLU CB C 70 27.456 27.157 0.299 1
1 843 . 4 1 1 A 70 70 GLU N N 70 124.954 122.646 2.308 1
1 844 . 4 1 1 A 71 71 GLN H H 71 8.248 7.930 0.318 1
1 845 . 4 1 1 A 71 71 GLN HA H 71 4.678 4.273 0.405 1
1 852 . 4 1 1 A 71 71 GLN CA C 71 54.218 55.435 -1.217 1
1 853 . 4 1 1 A 71 71 GLN CB C 71 30.422 28.136 2.286 1
1 856 . 4 1 1 A 71 71 GLN N N 71 114.858 118.708 -3.850 1
1 858 . 4 1 1 A 72 72 GLY H H 72 8.362 7.883 0.479 1
1 859 . 4 1 1 A 72 72 GLY HA2 H 72 4.145 4.045 0.100 1
1 860 . 4 1 1 A 72 72 GLY HA3 H 72 4.059 4.053 0.006 1
1 861 . 4 1 1 A 72 72 GLY C C 72 175.783 175.836 -0.053 1
1 862 . 4 1 1 A 72 72 GLY CA C 72 46.838 45.346 1.492 1
1 863 . 4 1 1 A 72 72 GLY N N 72 110.404 108.572 1.832 1
1 864 . 4 1 1 A 73 73 GLU H H 73 9.085 8.289 0.796 1
1 865 . 4 1 1 A 73 73 GLU HA H 73 4.187 4.307 -0.120 1
1 870 . 4 1 1 A 73 73 GLU C C 73 175.522 176.322 -0.800 1
1 871 . 4 1 1 A 73 73 GLU CA C 73 57.443 57.002 0.441 1
1 872 . 4 1 1 A 73 73 GLU CB C 73 31.378 30.182 1.196 1
1 874 . 4 1 1 A 73 73 GLU N N 73 118.421 118.069 0.352 1
1 875 . 4 1 1 A 74 74 VAL H H 74 6.862 7.384 -0.522 1
1 876 . 4 1 1 A 74 74 VAL HA H 74 4.281 4.256 0.025 1
1 884 . 4 1 1 A 74 74 VAL C C 74 175.773 175.405 0.368 1
1 885 . 4 1 1 A 74 74 VAL CA C 74 57.468 60.053 -2.585 1
1 886 . 4 1 1 A 74 74 VAL CB C 74 36.344 34.009 2.335 1
1 889 . 4 1 1 A 74 74 VAL N N 74 108.919 114.786 -5.867 1
1 890 . 4 1 1 A 75 75 ILE H H 75 7.462 8.977 -1.515 1
1 891 . 4 1 1 A 75 75 ILE HA H 75 3.844 4.226 -0.382 1
1 901 . 4 1 1 A 75 75 ILE C C 75 177.618 177.057 0.561 1
1 902 . 4 1 1 A 75 75 ILE CA C 75 62.213 62.432 -0.219 1
1 903 . 4 1 1 A 75 75 ILE CB C 75 37.337 38.270 -0.933 1
1 907 . 4 1 1 A 75 75 ILE N N 75 113.373 122.674 -9.301 1
1 908 . 4 1 1 A 76 76 LYS H H 76 9.047 8.170 0.877 1
1 909 . 4 1 1 A 76 76 LYS HA H 76 4.282 4.501 -0.219 1
1 918 . 4 1 1 A 76 76 LYS C C 76 180.009 178.161 1.848 1
1 919 . 4 1 1 A 76 76 LYS CA C 76 59.482 57.055 2.427 1
1 920 . 4 1 1 A 76 76 LYS CB C 76 32.740 34.996 -2.256 1
1 924 . 4 1 1 A 76 76 LYS N N 76 124.954 121.000 3.954 1
1 925 . 4 1 1 A 77 77 GLY H H 77 9.775 8.517 1.258 1
1 926 . 4 1 1 A 77 77 GLY HA2 H 77 3.786 3.250 0.536 1
1 927 . 4 1 1 A 77 77 GLY HA3 H 77 3.618 3.353 0.265 1
1 928 . 4 1 1 A 77 77 GLY C C 77 175.261 176.441 -1.180 1
1 929 . 4 1 1 A 77 77 GLY CA C 77 47.402 47.047 0.355 1
1 930 . 4 1 1 A 77 77 GLY N N 77 101.199 108.120 -6.921 1
1 931 . 4 1 1 A 78 78 TRP H H 78 7.817 8.035 -0.218 1
1 932 . 4 1 1 A 78 78 TRP HA H 78 4.017 4.785 -0.768 1
1 940 . 4 1 1 A 78 78 TRP C C 78 177.610 178.008 -0.398 1
1 941 . 4 1 1 A 78 78 TRP CA C 78 61.524 60.315 1.209 1
1 942 . 4 1 1 A 78 78 TRP CB C 78 28.655 29.187 -0.532 1
1 943 . 4 1 1 A 78 78 TRP N N 78 120.203 122.424 -2.221 1
1 944 . 4 1 1 A 79 79 ASP H H 79 6.967 8.374 -1.407 1
1 945 . 4 1 1 A 79 79 ASP HA H 79 4.738 4.457 0.281 1
1 948 . 4 1 1 A 79 79 ASP C C 79 179.125 179.200 -0.075 1
1 949 . 4 1 1 A 79 79 ASP CA C 79 58.492 57.673 0.819 1
1 950 . 4 1 1 A 79 79 ASP CB C 79 41.181 41.851 -0.670 1
1 951 . 4 1 1 A 79 79 ASP N N 79 121.688 120.036 1.652 1
1 952 . 4 1 1 A 80 80 ILE H H 80 8.173 7.609 0.564 1
1 953 . 4 1 1 A 80 80 ILE HA H 80 3.617 3.778 -0.161 1
1 963 . 4 1 1 A 80 80 ILE C C 80 177.849 177.791 0.058 1
1 964 . 4 1 1 A 80 80 ILE CA C 80 64.758 64.475 0.283 1
1 965 . 4 1 1 A 80 80 ILE CB C 80 39.198 37.474 1.724 1
1 969 . 4 1 1 A 80 80 ILE N N 80 118.125 118.956 -0.831 1
1 970 . 4 1 1 A 81 81 CYS H H 81 7.961 8.216 -0.255 1
1 971 . 4 1 1 A 81 81 CYS HA H 81 4.456 3.990 0.466 1
1 974 . 4 1 1 A 81 81 CYS C C 81 178.812 176.960 1.852 1
1 975 . 4 1 1 A 81 81 CYS CA C 81 63.059 62.795 0.264 1
1 976 . 4 1 1 A 81 81 CYS CB C 81 27.732 26.459 1.273 1
1 977 . 4 1 1 A 81 81 CYS N N 81 116.937 121.113 -4.176 1
1 978 . 4 1 1 A 82 82 VAL H H 82 9.434 8.155 1.279 1
1 979 . 4 1 1 A 82 82 VAL HA H 82 3.476 3.868 -0.392 1
1 987 . 4 1 1 A 82 82 VAL C C 82 176.456 178.151 -1.695 1
1 988 . 4 1 1 A 82 82 VAL CA C 82 66.977 65.057 1.920 1
1 989 . 4 1 1 A 82 82 VAL CB C 82 30.171 31.806 -1.635 1
1 992 . 4 1 1 A 82 82 VAL N N 82 121.688 118.447 3.241 1
1 993 . 4 1 1 A 83 83 SER H H 83 7.541 7.886 -0.345 1
1 994 . 4 1 1 A 83 83 SER HA H 83 3.964 4.815 -0.851 1
1 997 . 4 1 1 A 83 83 SER C C 83 173.661 174.979 -1.318 1
1 998 . 4 1 1 A 83 83 SER CA C 83 61.551 61.489 0.062 1
1 999 . 4 1 1 A 83 83 SER CB C 83 63.239 63.166 0.073 1
1 1000 . 4 1 1 A 83 83 SER N N 83 111.889 117.231 -5.342 1
1 1001 . 4 1 1 A 84 84 SER H H 84 7.471 7.676 -0.205 1
1 1002 . 4 1 1 A 84 84 SER HA H 84 4.530 4.660 -0.130 1
1 1005 . 4 1 1 A 84 84 SER C C 84 174.314 172.719 1.595 1
1 1006 . 4 1 1 A 84 84 SER CA C 84 58.440 57.001 1.439 1
1 1007 . 4 1 1 A 84 84 SER CB C 84 65.929 63.661 2.268 1
1 1008 . 4 1 1 A 84 84 SER N N 84 114.264 114.823 -0.559 1
1 1009 . 4 1 1 A 85 85 MET H H 85 7.441 7.671 -0.230 1
1 1010 . 4 1 1 A 85 85 MET HA H 85 4.262 5.325 -1.063 1
1 1015 . 4 1 1 A 85 85 MET C C 85 172.768 174.336 -1.568 1
1 1016 . 4 1 1 A 85 85 MET CA C 85 56.502 53.832 2.670 1
1 1017 . 4 1 1 A 85 85 MET CB C 85 36.378 37.785 -1.407 1
1 1019 . 4 1 1 A 85 85 MET N N 85 124.657 122.571 2.086 1
1 1020 . 4 1 1 A 86 86 ARG H H 86 7.045 8.538 -1.493 1
1 1021 . 4 1 1 A 86 86 ARG HA H 86 4.879 4.600 0.279 1
1 1028 . 4 1 1 A 86 86 ARG C C 86 177.468 175.866 1.602 1
1 1029 . 4 1 1 A 86 86 ARG CA C 86 53.395 54.734 -1.339 1
1 1030 . 4 1 1 A 86 86 ARG CB C 86 33.244 33.897 -0.653 1
1 1033 . 4 1 1 A 86 86 ARG N N 86 114.264 120.343 -6.079 1
1 1034 . 4 1 1 A 87 87 LYS H H 87 8.818 8.678 0.140 1
1 1035 . 4 1 1 A 87 87 LYS HA H 87 3.554 3.850 -0.296 1
1 1044 . 4 1 1 A 87 87 LYS C C 87 175.382 177.235 -1.853 1
1 1045 . 4 1 1 A 87 87 LYS CA C 87 60.175 59.286 0.889 1
1 1046 . 4 1 1 A 87 87 LYS CB C 87 33.195 32.316 0.879 1
1 1050 . 4 1 1 A 87 87 LYS N N 87 121.391 125.726 -4.335 1
1 1051 . 4 1 1 A 88 88 ASN H H 88 8.943 7.604 1.339 1
1 1052 . 4 1 1 A 88 88 ASN HA H 88 4.291 4.838 -0.547 1
1 1057 . 4 1 1 A 88 88 ASN C C 88 174.124 174.399 -0.275 1
1 1058 . 4 1 1 A 88 88 ASN CA C 88 56.703 52.988 3.715 1
1 1059 . 4 1 1 A 88 88 ASN CB C 88 36.677 39.514 -2.837 1
1 1060 . 4 1 1 A 88 88 ASN N N 88 116.640 114.242 2.398 1
1 1062 . 4 1 1 A 89 89 GLU H H 89 8.677 7.832 0.845 1
1 1063 . 4 1 1 A 89 89 GLU HA H 89 4.358 4.919 -0.561 1
1 1068 . 4 1 1 A 89 89 GLU C C 89 174.903 175.027 -0.124 1
1 1069 . 4 1 1 A 89 89 GLU CA C 89 56.190 55.332 0.858 1
1 1070 . 4 1 1 A 89 89 GLU CB C 89 33.096 32.356 0.740 1
1 1072 . 4 1 1 A 89 89 GLU N N 89 122.876 121.034 1.842 1
1 1073 . 4 1 1 A 90 90 LYS H H 90 8.580 8.859 -0.279 1
1 1074 . 4 1 1 A 90 90 LYS HA H 90 5.542 4.992 0.550 1
1 1083 . 4 1 1 A 90 90 LYS C C 90 175.593 174.627 0.966 1
1 1084 . 4 1 1 A 90 90 LYS CA C 90 54.210 55.575 -1.365 1
1 1085 . 4 1 1 A 90 90 LYS CB C 90 36.189 35.631 0.558 1
1 1089 . 4 1 1 A 90 90 LYS N N 90 123.469 126.013 -2.544 1
1 1090 . 4 1 1 A 91 91 CYS H H 91 9.673 8.205 1.468 1
1 1091 . 4 1 1 A 91 91 CYS HA H 91 5.524 5.233 0.291 1
1 1094 . 4 1 1 A 91 91 CYS C C 91 170.527 172.389 -1.862 1
1 1095 . 4 1 1 A 91 91 CYS CA C 91 54.690 57.704 -3.014 1
1 1096 . 4 1 1 A 91 91 CYS CB C 91 32.542 32.660 -0.118 1
1 1097 . 4 1 1 A 91 91 CYS N N 91 122.579 123.674 -1.095 1
1 1098 . 4 1 1 A 92 92 LEU H H 92 8.984 8.720 0.264 1
1 1099 . 4 1 1 A 92 92 LEU HA H 92 5.458 5.001 0.457 1
1 1109 . 4 1 1 A 92 92 LEU C C 92 175.596 175.075 0.521 1
1 1110 . 4 1 1 A 92 92 LEU CA C 92 53.413 54.151 -0.738 1
1 1111 . 4 1 1 A 92 92 LEU CB C 92 44.972 44.494 0.478 1
1 1115 . 4 1 1 A 92 92 LEU N N 92 122.282 125.581 -3.299 1
1 1116 . 4 1 1 A 93 93 VAL H H 93 10.107 9.318 0.789 1
1 1117 . 4 1 1 A 93 93 VAL HA H 93 5.506 4.997 0.509 1
1 1125 . 4 1 1 A 93 93 VAL C C 93 171.051 173.546 -2.495 1
1 1126 . 4 1 1 A 93 93 VAL CA C 93 58.200 59.643 -1.443 1
1 1127 . 4 1 1 A 93 93 VAL CB C 93 35.276 34.039 1.237 1
1 1130 . 4 1 1 A 93 93 VAL N N 93 126.224 125.004 1.220 1
1 1131 . 4 1 1 A 94 94 ARG H H 94 8.949 8.793 0.156 1
1 1132 . 4 1 1 A 94 94 ARG HA H 94 5.133 4.784 0.349 1
1 1139 . 4 1 1 A 94 94 ARG C C 94 175.823 174.610 1.213 1
1 1140 . 4 1 1 A 94 94 ARG CA C 94 56.219 54.794 1.425 1
1 1141 . 4 1 1 A 94 94 ARG CB C 94 32.039 31.944 0.095 1
1 1144 . 4 1 1 A 94 94 ARG N N 94 130.596 129.331 1.265 1
1 1145 . 4 1 1 A 95 95 ILE H H 95 9.655 8.957 0.698 1
1 1146 . 4 1 1 A 95 95 ILE HA H 95 4.899 4.648 0.251 1
1 1156 . 4 1 1 A 95 95 ILE C C 95 175.215 175.289 -0.074 1
1 1157 . 4 1 1 A 95 95 ILE CA C 95 60.582 60.312 0.270 1
1 1158 . 4 1 1 A 95 95 ILE CB C 95 37.359 38.285 -0.926 1
1 1162 . 4 1 1 A 95 95 ILE N N 95 129.905 128.611 1.294 1
1 1163 . 4 1 1 A 96 96 GLU H H 96 9.213 9.048 0.165 1
1 1164 . 4 1 1 A 96 96 GLU HA H 96 4.320 4.459 -0.139 1
1 1169 . 4 1 1 A 96 96 GLU C C 96 177.897 177.614 0.283 1
1 1170 . 4 1 1 A 96 96 GLU CA C 96 57.568 55.181 2.387 1
1 1171 . 4 1 1 A 96 96 GLU CB C 96 29.676 31.644 -1.968 1
1 1173 . 4 1 1 A 96 96 GLU N N 96 126.439 128.730 -2.291 1
1 1174 . 4 1 1 A 97 97 SER H H 97 8.693 8.706 -0.013 1
1 1175 . 4 1 1 A 97 97 SER HA H 97 4.370 4.069 0.301 1
1 1178 . 4 1 1 A 97 97 SER C C 97 178.668 175.383 3.285 1
1 1179 . 4 1 1 A 97 97 SER CA C 97 62.800 61.901 0.899 1
1 1180 . 4 1 1 A 97 97 SER CB C 97 64.591 62.411 2.180 1
1 1181 . 4 1 1 A 97 97 SER N N 97 115.749 118.970 -3.221 1
1 1182 . 4 1 1 A 98 98 MET H H 98 8.937 8.090 0.847 1
1 1183 . 4 1 1 A 98 98 MET HA H 98 4.170 4.217 -0.047 1
1 1188 . 4 1 1 A 98 98 MET C C 98 179.250 176.150 3.100 1
1 1189 . 4 1 1 A 98 98 MET CA C 98 58.702 56.936 1.766 1
1 1190 . 4 1 1 A 98 98 MET CB C 98 31.047 31.960 -0.913 1
1 1192 . 4 1 1 A 98 98 MET N N 98 121.985 118.377 3.608 1
1 1193 . 4 1 1 A 99 99 TYR H H 99 7.927 7.704 0.223 1
1 1194 . 4 1 1 A 99 99 TYR HA H 99 4.435 4.675 -0.240 1
1 1201 . 4 1 1 A 99 99 TYR C C 99 173.125 175.427 -2.302 1
1 1202 . 4 1 1 A 99 99 TYR CA C 99 58.064 58.173 -0.109 1
1 1203 . 4 1 1 A 99 99 TYR CB C 99 39.570 38.712 0.858 1
1 1204 . 4 1 1 A 99 99 TYR N N 99 116.640 118.106 -1.466 1
1 1205 . 4 1 1 A 100 100 GLY H H 100 7.802 7.630 0.172 1
1 1206 . 4 1 1 A 100 100 GLY HA2 H 100 3.223 4.269 -1.046 1
1 1207 . 4 1 1 A 100 100 GLY HA3 H 100 4.309 4.298 0.011 1
1 1208 . 4 1 1 A 100 100 GLY C C 100 173.213 174.631 -1.418 1
1 1209 . 4 1 1 A 100 100 GLY CA C 100 45.062 43.981 1.081 1
1 1210 . 4 1 1 A 100 100 GLY N N 100 110.998 108.289 2.709 1
1 1211 . 4 1 1 A 101 101 TYR H H 101 9.407 8.938 0.469 1
1 1212 . 4 1 1 A 101 101 TYR HA H 101 4.443 4.404 0.039 1
1 1219 . 4 1 1 A 101 101 TYR C C 101 176.014 176.315 -0.301 1
1 1220 . 4 1 1 A 101 101 TYR CA C 101 58.944 58.676 0.268 1
1 1221 . 4 1 1 A 101 101 TYR CB C 101 37.732 38.603 -0.871 1
1 1222 . 4 1 1 A 101 101 TYR N N 101 126.439 117.685 8.754 1
1 1223 . 4 1 1 A 102 102 GLY H H 102 8.231 8.216 0.015 1
1 1224 . 4 1 1 A 102 102 GLY HA2 H 102 4.001 3.939 0.062 1
1 1225 . 4 1 1 A 102 102 GLY HA3 H 102 3.715 3.939 -0.224 1
1 1226 . 4 1 1 A 102 102 GLY C C 102 175.685 174.932 0.753 1
1 1227 . 4 1 1 A 102 102 GLY CA C 102 46.447 46.153 0.294 1
1 1228 . 4 1 1 A 102 102 GLY N N 102 107.138 108.669 -1.531 1
1 1229 . 4 1 1 A 103 103 ASP H H 103 8.983 8.769 0.214 1
1 1230 . 4 1 1 A 103 103 ASP HA H 103 4.277 4.676 -0.399 1
1 1233 . 4 1 1 A 103 103 ASP C C 103 176.677 177.651 -0.974 1
1 1234 . 4 1 1 A 103 103 ASP CA C 103 56.352 54.508 1.844 1
1 1235 . 4 1 1 A 103 103 ASP CB C 103 40.640 41.197 -0.557 1
1 1236 . 4 1 1 A 103 103 ASP N N 103 124.954 125.300 -0.346 1
1 1237 . 4 1 1 A 104 104 GLU H H 104 8.552 8.078 0.474 1
1 1238 . 4 1 1 A 104 104 GLU HA H 104 4.139 4.171 -0.032 1
1 1243 . 4 1 1 A 104 104 GLU C C 104 179.142 177.168 1.974 1
1 1244 . 4 1 1 A 104 104 GLU CA C 104 58.100 59.230 -1.130 1
1 1245 . 4 1 1 A 104 104 GLU CB C 104 30.076 29.962 0.114 1
1 1247 . 4 1 1 A 104 104 GLU N N 104 117.531 118.925 -1.394 1
1 1248 . 4 1 1 A 105 105 GLY H H 105 7.188 7.488 -0.300 1
1 1249 . 4 1 1 A 105 105 GLY HA2 H 105 3.137 3.987 -0.850 1
1 1250 . 4 1 1 A 105 105 GLY HA3 H 105 4.012 3.993 0.019 1
1 1251 . 4 1 1 A 105 105 GLY C C 105 171.730 172.812 -1.082 1
1 1252 . 4 1 1 A 105 105 GLY CA C 105 44.214 44.702 -0.488 1
1 1253 . 4 1 1 A 105 105 GLY N N 105 104.168 108.385 -4.217 1
1 1254 . 4 1 1 A 106 106 CYS H H 106 9.026 8.188 0.838 1
1 1255 . 4 1 1 A 106 106 CYS HA H 106 4.253 4.576 -0.323 1
1 1258 . 4 1 1 A 106 106 CYS C C 106 173.438 174.782 -1.344 1
1 1259 . 4 1 1 A 106 106 CYS CA C 106 57.814 57.552 0.262 1
1 1260 . 4 1 1 A 106 106 CYS CB C 106 26.162 26.768 -0.606 1
1 1261 . 4 1 1 A 106 106 CYS N N 106 121.949 118.139 3.810 1
1 1262 . 4 1 1 A 107 107 GLY H H 107 8.584 8.126 0.458 1
1 1263 . 4 1 1 A 107 107 GLY HA2 H 107 3.706 4.096 -0.390 1
1 1264 . 4 1 1 A 107 107 GLY HA3 H 107 3.954 4.099 -0.145 1
1 1265 . 4 1 1 A 107 107 GLY C C 107 173.461 174.696 -1.235 1
1 1266 . 4 1 1 A 107 107 GLY CA C 107 45.258 45.338 -0.080 1
1 1267 . 4 1 1 A 107 107 GLY N N 107 114.561 112.817 1.744 1
1 1268 . 4 1 1 A 108 108 GLU H H 108 8.503 8.794 -0.291 1
1 1269 . 4 1 1 A 108 108 GLU HA H 108 4.051 3.785 0.266 1
1 1274 . 4 1 1 A 108 108 GLU C C 108 178.118 177.642 0.476 1
1 1275 . 4 1 1 A 108 108 GLU CA C 108 57.478 59.289 -1.811 1
1 1276 . 4 1 1 A 108 108 GLU CB C 108 29.835 30.031 -0.196 1
1 1278 . 4 1 1 A 108 108 GLU N N 108 119.609 121.181 -1.572 1
1 1279 . 4 1 1 A 109 109 SER H H 109 8.082 7.983 0.099 1
1 1280 . 4 1 1 A 109 109 SER HA H 109 4.127 4.370 -0.243 1
1 1283 . 4 1 1 A 109 109 SER C C 109 173.569 174.520 -0.951 1
1 1284 . 4 1 1 A 109 109 SER CA C 109 60.141 59.998 0.143 1
1 1285 . 4 1 1 A 109 109 SER CB C 109 63.935 63.988 -0.053 1
1 1286 . 4 1 1 A 109 109 SER N N 109 112.186 112.109 0.077 1
1 1287 . 4 1 1 A 110 110 ILE H H 110 6.570 7.835 -1.265 1
1 1288 . 4 1 1 A 110 110 ILE HA H 110 4.235 4.592 -0.357 1
1 1298 . 4 1 1 A 110 110 ILE CA C 110 58.031 57.999 0.032 1
1 1299 . 4 1 1 A 110 110 ILE CB C 110 39.086 39.763 -0.677 1
1 1303 . 4 1 1 A 110 110 ILE N N 110 116.937 116.091 0.846 1
1 1304 . 4 1 1 A 111 111 PRO HA H 111 4.510 4.819 -0.309 1
1 1311 . 4 1 1 A 111 111 PRO C C 111 179.076 177.431 1.645 1
1 1312 . 4 1 1 A 111 111 PRO CA C 111 61.703 62.567 -0.864 1
1 1313 . 4 1 1 A 111 111 PRO CB C 111 32.729 33.280 -0.551 1
1 1316 . 4 1 1 A 112 112 GLY H H 112 9.018 8.808 0.210 1
1 1317 . 4 1 1 A 112 112 GLY HA2 H 112 3.461 4.084 -0.623 1
1 1318 . 4 1 1 A 112 112 GLY HA3 H 112 3.714 4.086 -0.372 1
1 1319 . 4 1 1 A 112 112 GLY C C 112 172.723 174.767 -2.044 1
1 1320 . 4 1 1 A 112 112 GLY CA C 112 46.262 45.681 0.581 1
1 1321 . 4 1 1 A 112 112 GLY N N 112 111.592 109.277 2.315 1
1 1322 . 4 1 1 A 113 113 ASN H H 113 8.381 8.567 -0.186 1
1 1323 . 4 1 1 A 113 113 ASN HA H 113 4.278 4.321 -0.043 1
1 1328 . 4 1 1 A 113 113 ASN C C 113 174.643 173.683 0.960 1
1 1329 . 4 1 1 A 113 113 ASN CA C 113 54.388 54.641 -0.253 1
1 1330 . 4 1 1 A 113 113 ASN CB C 113 37.204 37.234 -0.030 1
1 1331 . 4 1 1 A 113 113 ASN N N 113 116.937 110.220 6.717 1
1 1333 . 4 1 1 A 114 114 SER H H 114 7.617 7.810 -0.193 1
1 1334 . 4 1 1 A 114 114 SER HA H 114 4.517 4.855 -0.338 1
1 1337 . 4 1 1 A 114 114 SER C C 114 172.904 172.449 0.455 1
1 1338 . 4 1 1 A 114 114 SER CA C 114 59.864 57.620 2.244 1
1 1339 . 4 1 1 A 114 114 SER CB C 114 64.678 65.498 -0.820 1
1 1340 . 4 1 1 A 114 114 SER N N 114 113.077 113.242 -0.165 1
1 1341 . 4 1 1 A 115 115 VAL H H 115 8.500 8.762 -0.262 1
1 1342 . 4 1 1 A 115 115 VAL HA H 115 4.341 4.855 -0.514 1
1 1350 . 4 1 1 A 115 115 VAL C C 115 176.075 174.283 1.792 1
1 1351 . 4 1 1 A 115 115 VAL CA C 115 62.705 60.545 2.160 1
1 1352 . 4 1 1 A 115 115 VAL CB C 115 31.546 33.629 -2.083 1
1 1355 . 4 1 1 A 115 115 VAL N N 115 124.360 124.445 -0.085 1
1 1356 . 4 1 1 A 116 116 LEU H H 116 9.104 8.741 0.363 1
1 1357 . 4 1 1 A 116 116 LEU HA H 116 5.002 4.932 0.070 1
1 1367 . 4 1 1 A 116 116 LEU C C 116 174.923 175.790 -0.867 1
1 1368 . 4 1 1 A 116 116 LEU CA C 116 53.123 53.876 -0.753 1
1 1369 . 4 1 1 A 116 116 LEU CB C 116 45.379 45.067 0.312 1
1 1373 . 4 1 1 A 116 116 LEU N N 116 128.814 129.583 -0.769 1
1 1374 . 4 1 1 A 117 117 LEU H H 117 9.009 8.377 0.632 1
1 1375 . 4 1 1 A 117 117 LEU HA H 117 5.601 5.329 0.272 1
1 1385 . 4 1 1 A 117 117 LEU C C 117 176.574 175.352 1.222 1
1 1386 . 4 1 1 A 117 117 LEU CA C 117 52.750 52.927 -0.177 1
1 1387 . 4 1 1 A 117 117 LEU CB C 117 44.693 44.491 0.202 1
1 1391 . 4 1 1 A 117 117 LEU N N 117 121.391 119.249 2.142 1
1 1392 . 4 1 1 A 118 118 PHE H H 118 9.375 8.867 0.508 1
1 1393 . 4 1 1 A 118 118 PHE HA H 118 6.155 5.033 1.122 1
1 1401 . 4 1 1 A 118 118 PHE C C 118 176.518 175.464 1.054 1
1 1402 . 4 1 1 A 118 118 PHE CA C 118 55.411 56.067 -0.656 1
1 1403 . 4 1 1 A 118 118 PHE CB C 118 42.385 43.205 -0.820 1
1 1404 . 4 1 1 A 118 118 PHE N N 118 117.531 120.270 -2.739 1
1 1405 . 4 1 1 A 119 119 GLU H H 119 8.905 9.528 -0.623 1
1 1406 . 4 1 1 A 119 119 GLU HA H 119 5.604 4.761 0.843 1
1 1411 . 4 1 1 A 119 119 GLU C C 119 175.947 175.845 0.102 1
1 1412 . 4 1 1 A 119 119 GLU CA C 119 60.489 56.835 3.654 1
1 1413 . 4 1 1 A 119 119 GLU CB C 119 31.189 30.437 0.752 1
1 1415 . 4 1 1 A 119 119 GLU N N 119 122.876 121.237 1.639 1
1 1416 . 4 1 1 A 120 120 ILE H H 120 8.912 9.129 -0.217 1
1 1417 . 4 1 1 A 120 120 ILE HA H 120 4.965 4.921 0.044 1
1 1427 . 4 1 1 A 120 120 ILE C C 120 173.341 174.556 -1.215 1
1 1428 . 4 1 1 A 120 120 ILE CA C 120 60.568 60.353 0.215 1
1 1429 . 4 1 1 A 120 120 ILE CB C 120 41.927 38.717 3.210 1
1 1433 . 4 1 1 A 120 120 ILE N N 120 123.000 125.657 -2.657 1
1 1434 . 4 1 1 A 121 121 GLU H H 121 9.074 9.039 0.035 1
1 1435 . 4 1 1 A 121 121 GLU HA H 121 5.445 5.174 0.271 1
1 1440 . 4 1 1 A 121 121 GLU C C 121 175.254 174.362 0.892 1
1 1441 . 4 1 1 A 121 121 GLU CA C 121 53.941 54.644 -0.703 1
1 1442 . 4 1 1 A 121 121 GLU CB C 121 33.897 33.510 0.387 1
1 1444 . 4 1 1 A 121 121 GLU N N 121 128.221 129.187 -0.966 1
1 1445 . 4 1 1 A 122 122 LEU H H 122 8.112 8.800 -0.688 1
1 1446 . 4 1 1 A 122 122 LEU HA H 122 4.680 4.615 0.065 1
1 1456 . 4 1 1 A 122 122 LEU C C 122 174.472 176.724 -2.252 1
1 1457 . 4 1 1 A 122 122 LEU CA C 122 54.403 54.369 0.034 1
1 1458 . 4 1 1 A 122 122 LEU CB C 122 40.796 42.288 -1.492 1
1 1462 . 4 1 1 A 122 122 LEU N N 122 127.033 127.662 -0.629 1
1 1463 . 4 1 1 A 123 123 LEU H H 123 8.704 8.905 -0.201 1
1 1464 . 4 1 1 A 123 123 LEU HA H 123 4.385 4.632 -0.247 1
1 1474 . 4 1 1 A 123 123 LEU C C 123 177.614 176.749 0.865 1
1 1475 . 4 1 1 A 123 123 LEU CA C 123 57.095 54.908 2.187 1
1 1476 . 4 1 1 A 123 123 LEU CB C 123 42.226 43.075 -0.849 1
1 1480 . 4 1 1 A 123 123 LEU N N 123 128.814 123.654 5.160 1
1 1481 . 4 1 1 A 124 124 SER H H 124 7.602 7.317 0.285 1
1 1482 . 4 1 1 A 124 124 SER HA H 124 4.161 4.967 -0.806 1
1 1485 . 4 1 1 A 124 124 SER C C 124 171.375 172.541 -1.166 1
1 1486 . 4 1 1 A 124 124 SER CA C 124 57.545 57.473 0.072 1
1 1487 . 4 1 1 A 124 124 SER CB C 124 63.359 65.359 -2.000 1
1 1488 . 4 1 1 A 124 124 SER N N 124 105.653 112.859 -7.206 1
1 1489 . 4 1 1 A 125 125 PHE H H 125 7.818 8.861 -1.043 1
1 1490 . 4 1 1 A 125 125 PHE HA H 125 5.451 5.589 -0.138 1
1 1498 . 4 1 1 A 125 125 PHE C C 125 173.154 173.325 -0.171 1
1 1499 . 4 1 1 A 125 125 PHE CA C 125 56.463 56.406 0.057 1
1 1500 . 4 1 1 A 125 125 PHE CB C 125 42.301 41.015 1.286 1
1 1501 . 4 1 1 A 125 125 PHE N N 125 113.373 119.490 -6.117 1
1 1502 . 4 1 1 A 126 126 ARG H H 126 8.934 8.824 0.110 1
1 1503 . 4 1 1 A 126 126 ARG HA H 126 4.693 4.824 -0.131 1
1 1510 . 4 1 1 A 126 126 ARG C C 126 174.013 174.268 -0.255 1
1 1511 . 4 1 1 A 126 126 ARG CA C 126 54.654 54.657 -0.003 1
1 1512 . 4 1 1 A 126 126 ARG CB C 126 33.064 33.998 -0.934 1
1 1515 . 4 1 1 A 126 126 ARG N N 126 116.046 118.327 -2.281 1
1 1516 . 4 1 1 A 127 127 GLU H H 127 8.665 8.785 -0.120 1
1 1517 . 4 1 1 A 127 127 GLU HA H 127 4.436 4.642 -0.206 1
1 1522 . 4 1 1 A 127 127 GLU C C 127 176.050 176.651 -0.601 1
1 1523 . 4 1 1 A 127 127 GLU CA C 127 55.552 55.821 -0.269 1
1 1524 . 4 1 1 A 127 127 GLU CB C 127 30.600 30.845 -0.245 1
1 1 . 5 1 1 A 2 2 THR HA H 2 4.479 4.522 -0.043 1
1 6 . 5 1 1 A 2 2 THR C C 2 174.348 175.359 -1.011 1
1 7 . 5 1 1 A 2 2 THR CA C 2 61.838 62.534 -0.696 1
1 8 . 5 1 1 A 2 2 THR CB C 2 69.919 70.685 -0.766 1
1 10 . 5 1 1 A 3 3 THR H H 3 8.289 8.021 0.268 1
1 11 . 5 1 1 A 3 3 THR HA H 3 4.282 3.928 0.354 1
1 16 . 5 1 1 A 3 3 THR C C 3 174.404 173.438 0.966 1
1 17 . 5 1 1 A 3 3 THR CA C 3 62.140 62.213 -0.073 1
1 18 . 5 1 1 A 3 3 THR CB C 3 69.658 67.256 2.402 1
1 20 . 5 1 1 A 3 3 THR N N 3 116.640 111.944 4.696 1
1 21 . 5 1 1 A 4 4 GLU H H 4 8.567 7.981 0.586 1
1 22 . 5 1 1 A 4 4 GLU HA H 4 4.156 4.850 -0.694 1
1 27 . 5 1 1 A 4 4 GLU C C 4 176.216 176.178 0.038 1
1 28 . 5 1 1 A 4 4 GLU CA C 4 56.929 54.638 2.291 1
1 29 . 5 1 1 A 4 4 GLU CB C 4 29.821 32.183 -2.362 1
1 31 . 5 1 1 A 4 4 GLU N N 4 123.469 120.040 3.429 1
1 32 . 5 1 1 A 5 5 GLN H H 5 8.222 8.505 -0.283 1
1 33 . 5 1 1 A 5 5 GLN HA H 5 4.167 4.274 -0.107 1
1 40 . 5 1 1 A 5 5 GLN C C 5 175.216 175.218 -0.002 1
1 41 . 5 1 1 A 5 5 GLN CA C 5 55.674 55.890 -0.216 1
1 42 . 5 1 1 A 5 5 GLN CB C 5 29.553 29.052 0.501 1
1 45 . 5 1 1 A 5 5 GLN N N 5 120.797 120.606 0.191 1
1 47 . 5 1 1 A 6 6 GLU H H 6 8.171 8.666 -0.495 1
1 48 . 5 1 1 A 6 6 GLU HA H 6 4.080 4.334 -0.254 1
1 53 . 5 1 1 A 6 6 GLU C C 6 175.870 174.729 1.141 1
1 54 . 5 1 1 A 6 6 GLU CA C 6 56.400 55.301 1.099 1
1 55 . 5 1 1 A 6 6 GLU CB C 6 30.335 27.849 2.486 1
1 57 . 5 1 1 A 6 6 GLU N N 6 122.100 126.358 -4.258 1
1 58 . 5 1 1 A 7 7 PHE H H 7 8.051 7.568 0.483 1
1 59 . 5 1 1 A 7 7 PHE HA H 7 4.710 5.056 -0.346 1
1 67 . 5 1 1 A 7 7 PHE C C 7 175.461 174.703 0.758 1
1 68 . 5 1 1 A 7 7 PHE CA C 7 56.825 56.710 0.115 1
1 69 . 5 1 1 A 7 7 PHE CB C 7 39.812 41.714 -1.902 1
1 70 . 5 1 1 A 7 7 PHE N N 7 120.500 122.511 -2.011 1
1 71 . 5 1 1 A 8 8 GLU H H 8 8.626 9.103 -0.477 1
1 72 . 5 1 1 A 8 8 GLU HA H 8 4.193 4.957 -0.764 1
1 77 . 5 1 1 A 8 8 GLU C C 8 176.141 175.589 0.552 1
1 78 . 5 1 1 A 8 8 GLU CA C 8 56.932 54.841 2.091 1
1 79 . 5 1 1 A 8 8 GLU CB C 8 30.794 32.035 -1.241 1
1 81 . 5 1 1 A 8 8 GLU N N 8 123.469 123.437 0.032 1
1 82 . 5 1 1 A 9 9 LYS H H 9 8.396 8.666 -0.270 1
1 83 . 5 1 1 A 9 9 LYS HA H 9 5.100 5.002 0.098 1
1 92 . 5 1 1 A 9 9 LYS C C 9 176.168 175.428 0.740 1
1 93 . 5 1 1 A 9 9 LYS CA C 9 55.428 54.729 0.699 1
1 94 . 5 1 1 A 9 9 LYS CB C 9 34.214 34.923 -0.709 1
1 98 . 5 1 1 A 9 9 LYS N N 9 124.954 124.409 0.545 1
1 99 . 5 1 1 A 10 10 VAL H H 10 9.445 9.199 0.246 1
1 100 . 5 1 1 A 10 10 VAL HA H 10 4.278 4.485 -0.207 1
1 108 . 5 1 1 A 10 10 VAL C C 10 174.967 175.038 -0.071 1
1 109 . 5 1 1 A 10 10 VAL CA C 10 60.951 61.389 -0.438 1
1 110 . 5 1 1 A 10 10 VAL CB C 10 34.681 32.340 2.341 1
1 113 . 5 1 1 A 10 10 VAL N N 10 124.360 122.801 1.559 1
1 114 . 5 1 1 A 11 11 GLU H H 11 9.021 8.608 0.413 1
1 115 . 5 1 1 A 11 11 GLU HA H 11 4.369 4.304 0.065 1
1 120 . 5 1 1 A 11 11 GLU C C 11 174.797 176.503 -1.706 1
1 121 . 5 1 1 A 11 11 GLU CA C 11 56.728 56.516 0.212 1
1 122 . 5 1 1 A 11 11 GLU CB C 11 28.655 29.505 -0.850 1
1 124 . 5 1 1 A 11 11 GLU N N 11 127.924 128.311 -0.387 1
1 125 . 5 1 1 A 12 12 LEU H H 12 8.396 8.949 -0.553 1
1 126 . 5 1 1 A 12 12 LEU HA H 12 4.311 3.936 0.375 1
1 136 . 5 1 1 A 12 12 LEU C C 12 176.600 176.545 0.055 1
1 137 . 5 1 1 A 12 12 LEU CA C 12 55.292 55.676 -0.384 1
1 138 . 5 1 1 A 12 12 LEU CB C 12 42.624 40.656 1.968 1
1 142 . 5 1 1 A 12 12 LEU N N 12 124.954 121.569 3.385 1
1 143 . 5 1 1 A 13 13 THR H H 13 7.328 7.442 -0.114 1
1 144 . 5 1 1 A 13 13 THR HA H 13 4.530 4.328 0.202 1
1 149 . 5 1 1 A 13 13 THR C C 13 175.180 176.210 -1.030 1
1 150 . 5 1 1 A 13 13 THR CA C 13 59.603 62.527 -2.924 1
1 151 . 5 1 1 A 13 13 THR CB C 13 70.742 69.408 1.334 1
1 153 . 5 1 1 A 13 13 THR N N 13 106.841 114.574 -7.733 1
1 154 . 5 1 1 A 14 14 ALA H H 14 8.689 8.958 -0.269 1
1 155 . 5 1 1 A 14 14 ALA HA H 14 4.247 4.147 0.100 1
1 159 . 5 1 1 A 14 14 ALA C C 14 177.522 177.616 -0.094 1
1 160 . 5 1 1 A 14 14 ALA CA C 14 53.875 53.446 0.429 1
1 161 . 5 1 1 A 14 14 ALA CB C 14 17.920 18.763 -0.843 1
1 162 . 5 1 1 A 14 14 ALA N N 14 123.733 129.812 -6.079 1
1 163 . 5 1 1 A 15 15 ASP H H 15 7.516 7.811 -0.295 1
1 164 . 5 1 1 A 15 15 ASP HA H 15 4.518 4.783 -0.265 1
1 167 . 5 1 1 A 15 15 ASP C C 15 177.402 176.209 1.193 1
1 168 . 5 1 1 A 15 15 ASP CA C 15 52.635 53.594 -0.959 1
1 169 . 5 1 1 A 15 15 ASP CB C 15 40.912 41.183 -0.271 1
1 170 . 5 1 1 A 15 15 ASP N N 15 113.967 117.769 -3.802 1
1 171 . 5 1 1 A 16 16 GLY H H 16 7.986 7.834 0.152 1
1 172 . 5 1 1 A 16 16 GLY HA2 H 16 4.080 4.003 0.077 1
1 173 . 5 1 1 A 16 16 GLY HA3 H 16 3.529 4.013 -0.484 1
1 174 . 5 1 1 A 16 16 GLY C C 16 175.233 175.287 -0.054 1
1 175 . 5 1 1 A 16 16 GLY CA C 16 45.798 44.884 0.914 1
1 176 . 5 1 1 A 16 16 GLY N N 16 108.919 106.740 2.179 1
1 177 . 5 1 1 A 17 17 GLY H H 17 8.681 8.665 0.016 1
1 178 . 5 1 1 A 17 17 GLY HA2 H 17 4.513 3.904 0.609 1
1 179 . 5 1 1 A 17 17 GLY HA3 H 17 4.513 3.917 0.596 1
1 180 . 5 1 1 A 17 17 GLY C C 17 172.684 174.101 -1.417 1
1 181 . 5 1 1 A 17 17 GLY CA C 17 46.672 46.929 -0.257 1
1 182 . 5 1 1 A 17 17 GLY N N 17 108.663 108.759 -0.096 1
1 183 . 5 1 1 A 18 18 VAL H H 18 6.903 7.479 -0.576 1
1 184 . 5 1 1 A 18 18 VAL HA H 18 4.855 4.125 0.730 1
1 192 . 5 1 1 A 18 18 VAL C C 18 174.737 174.487 0.250 1
1 193 . 5 1 1 A 18 18 VAL CA C 18 62.035 60.444 1.591 1
1 194 . 5 1 1 A 18 18 VAL CB C 18 33.315 35.449 -2.134 1
1 197 . 5 1 1 A 18 18 VAL N N 18 117.234 118.457 -1.223 1
1 198 . 5 1 1 A 19 19 ILE H H 19 8.243 8.307 -0.064 1
1 199 . 5 1 1 A 19 19 ILE HA H 19 4.665 4.525 0.140 1
1 209 . 5 1 1 A 19 19 ILE C C 19 174.360 175.386 -1.026 1
1 210 . 5 1 1 A 19 19 ILE CA C 19 60.736 60.749 -0.013 1
1 211 . 5 1 1 A 19 19 ILE CB C 19 41.856 37.428 4.428 1
1 215 . 5 1 1 A 19 19 ILE N N 19 126.439 127.160 -0.721 1
1 216 . 5 1 1 A 20 20 LYS H H 20 9.345 8.593 0.752 1
1 217 . 5 1 1 A 20 20 LYS HA H 20 5.296 4.981 0.315 1
1 226 . 5 1 1 A 20 20 LYS C C 20 173.618 174.545 -0.927 1
1 227 . 5 1 1 A 20 20 LYS CA C 20 54.842 54.576 0.266 1
1 228 . 5 1 1 A 20 20 LYS CB C 20 36.261 36.006 0.255 1
1 232 . 5 1 1 A 20 20 LYS N N 20 129.408 124.829 4.579 1
1 233 . 5 1 1 A 21 21 THR H H 21 9.597 9.441 0.156 1
1 234 . 5 1 1 A 21 21 THR HA H 21 4.923 4.897 0.026 1
1 239 . 5 1 1 A 21 21 THR C C 21 174.648 173.547 1.101 1
1 240 . 5 1 1 A 21 21 THR CA C 21 61.703 61.997 -0.294 1
1 241 . 5 1 1 A 21 21 THR CB C 21 70.230 70.021 0.209 1
1 243 . 5 1 1 A 21 21 THR N N 21 123.469 117.293 6.176 1
1 244 . 5 1 1 A 22 22 ILE H H 22 9.248 8.313 0.935 1
1 245 . 5 1 1 A 22 22 ILE HA H 22 3.637 4.302 -0.665 1
1 255 . 5 1 1 A 22 22 ILE C C 22 174.348 174.784 -0.436 1
1 256 . 5 1 1 A 22 22 ILE CA C 22 64.258 61.053 3.205 1
1 257 . 5 1 1 A 22 22 ILE CB C 22 37.551 38.289 -0.738 1
1 261 . 5 1 1 A 22 22 ILE N N 22 128.517 127.623 0.894 1
1 262 . 5 1 1 A 23 23 LEU H H 23 8.498 8.817 -0.319 1
1 263 . 5 1 1 A 23 23 LEU HA H 23 4.180 3.377 0.803 1
1 273 . 5 1 1 A 23 23 LEU C C 23 177.521 176.342 1.179 1
1 274 . 5 1 1 A 23 23 LEU CA C 23 55.460 56.049 -0.589 1
1 275 . 5 1 1 A 23 23 LEU CB C 23 42.239 42.066 0.173 1
1 279 . 5 1 1 A 23 23 LEU N N 23 128.517 130.540 -2.023 1
1 280 . 5 1 1 A 24 24 LYS H H 24 8.020 7.730 0.290 1
1 281 . 5 1 1 A 24 24 LYS HA H 24 4.392 4.656 -0.264 1
1 290 . 5 1 1 A 24 24 LYS C C 24 174.465 175.256 -0.791 1
1 291 . 5 1 1 A 24 24 LYS CA C 24 55.848 54.537 1.311 1
1 292 . 5 1 1 A 24 24 LYS CB C 24 35.692 34.346 1.346 1
1 296 . 5 1 1 A 24 24 LYS N N 24 120.797 117.113 3.684 1
1 297 . 5 1 1 A 25 25 LYS H H 25 8.657 8.444 0.213 1
1 298 . 5 1 1 A 25 25 LYS HA H 25 4.178 4.331 -0.153 1
1 307 . 5 1 1 A 25 25 LYS C C 25 177.616 177.489 0.127 1
1 308 . 5 1 1 A 25 25 LYS CA C 25 57.218 55.953 1.265 1
1 309 . 5 1 1 A 25 25 LYS CB C 25 32.846 33.012 -0.166 1
1 313 . 5 1 1 A 25 25 LYS N N 25 126.439 127.340 -0.901 1
1 314 . 5 1 1 A 26 26 GLY H H 26 9.728 8.677 1.051 1
1 315 . 5 1 1 A 26 26 GLY HA2 H 26 3.408 4.074 -0.666 1
1 316 . 5 1 1 A 26 26 GLY HA3 H 26 4.120 4.075 0.045 1
1 317 . 5 1 1 A 26 26 GLY C C 26 173.278 174.396 -1.118 1
1 318 . 5 1 1 A 26 26 GLY CA C 26 43.709 44.857 -1.148 1
1 319 . 5 1 1 A 26 26 GLY N N 26 110.404 110.336 0.068 1
1 320 . 5 1 1 A 27 27 ASP H H 27 8.550 8.888 -0.338 1
1 321 . 5 1 1 A 27 27 ASP HA H 27 4.401 4.622 -0.221 1
1 324 . 5 1 1 A 27 27 ASP C C 27 175.993 175.814 0.179 1
1 325 . 5 1 1 A 27 27 ASP CA C 27 55.105 56.183 -1.078 1
1 326 . 5 1 1 A 27 27 ASP CB C 27 41.688 40.800 0.888 1
1 327 . 5 1 1 A 27 27 ASP N N 27 121.391 119.046 2.345 1
1 328 . 5 1 1 A 28 28 GLU H H 28 8.419 7.945 0.474 1
1 329 . 5 1 1 A 28 28 GLU HA H 28 4.063 4.845 -0.782 1
1 334 . 5 1 1 A 28 28 GLU C C 28 176.146 175.097 1.049 1
1 335 . 5 1 1 A 28 28 GLU CA C 28 57.076 55.629 1.447 1
1 336 . 5 1 1 A 28 28 GLU CB C 28 30.774 33.109 -2.335 1
1 338 . 5 1 1 A 28 28 GLU N N 28 120.203 118.188 2.015 1
1 339 . 5 1 1 A 29 29 GLY H H 29 8.364 8.646 -0.282 1
1 340 . 5 1 1 A 29 29 GLY HA2 H 29 4.758 4.313 0.445 1
1 341 . 5 1 1 A 29 29 GLY HA3 H 29 4.584 4.318 0.266 1
1 342 . 5 1 1 A 29 29 GLY C C 29 175.976 175.436 0.540 1
1 343 . 5 1 1 A 29 29 GLY CA C 29 44.686 45.702 -1.016 1
1 344 . 5 1 1 A 29 29 GLY N N 29 110.404 113.609 -3.205 1
1 345 . 5 1 1 A 30 30 GLU H H 30 8.867 8.082 0.785 1
1 346 . 5 1 1 A 30 30 GLU HA H 30 3.749 4.004 -0.255 1
1 351 . 5 1 1 A 30 30 GLU C C 30 177.872 178.150 -0.278 1
1 352 . 5 1 1 A 30 30 GLU CA C 30 59.045 59.122 -0.077 1
1 353 . 5 1 1 A 30 30 GLU CB C 30 29.030 29.492 -0.462 1
1 355 . 5 1 1 A 30 30 GLU N N 30 125.251 121.391 3.860 1
1 356 . 5 1 1 A 31 31 GLU H H 31 9.842 7.851 1.991 1
1 357 . 5 1 1 A 31 31 GLU HA H 31 4.312 4.317 -0.005 1
1 362 . 5 1 1 A 31 31 GLU C C 31 176.330 176.348 -0.018 1
1 363 . 5 1 1 A 31 31 GLU CA C 31 57.437 57.288 0.149 1
1 364 . 5 1 1 A 31 31 GLU CB C 31 28.040 30.201 -2.161 1
1 366 . 5 1 1 A 31 31 GLU N N 31 118.421 118.350 0.071 1
1 367 . 5 1 1 A 32 32 ASN H H 32 7.731 7.779 -0.048 1
1 368 . 5 1 1 A 32 32 ASN HA H 32 5.127 5.187 -0.060 1
1 373 . 5 1 1 A 32 32 ASN C C 32 172.750 173.754 -1.004 1
1 374 . 5 1 1 A 32 32 ASN CA C 32 54.111 52.344 1.767 1
1 375 . 5 1 1 A 32 32 ASN CB C 32 40.161 40.080 0.081 1
1 376 . 5 1 1 A 32 32 ASN N N 32 116.937 116.031 0.906 1
1 378 . 5 1 1 A 33 33 ILE H H 33 7.105 9.328 -2.223 1
1 379 . 5 1 1 A 33 33 ILE HA H 33 4.793 4.714 0.079 1
1 389 . 5 1 1 A 33 33 ILE CA C 33 57.895 57.401 0.494 1
1 390 . 5 1 1 A 33 33 ILE CB C 33 40.609 40.981 -0.372 1
1 394 . 5 1 1 A 33 33 ILE N N 33 121.985 125.466 -3.481 1
1 395 . 5 1 1 A 34 34 PRO HA H 34 4.065 4.934 -0.869 1
1 402 . 5 1 1 A 34 34 PRO C C 34 173.754 175.964 -2.210 1
1 403 . 5 1 1 A 34 34 PRO CA C 34 61.962 62.471 -0.509 1
1 404 . 5 1 1 A 34 34 PRO CB C 34 31.877 30.139 1.738 1
1 407 . 5 1 1 A 35 35 LYS H H 35 7.101 8.287 -1.186 1
1 408 . 5 1 1 A 35 35 LYS HA H 35 4.377 4.757 -0.380 1
1 417 . 5 1 1 A 35 35 LYS C C 35 175.712 176.012 -0.300 1
1 418 . 5 1 1 A 35 35 LYS CA C 35 53.404 55.164 -1.760 1
1 419 . 5 1 1 A 35 35 LYS CB C 35 35.229 34.187 1.042 1
1 423 . 5 1 1 A 35 35 LYS N N 35 116.046 123.190 -7.144 1
1 424 . 5 1 1 A 36 36 LYS H H 36 8.144 8.687 -0.543 1
1 425 . 5 1 1 A 36 36 LYS HA H 36 3.515 4.052 -0.537 1
1 434 . 5 1 1 A 36 36 LYS C C 36 176.774 177.391 -0.617 1
1 435 . 5 1 1 A 36 36 LYS CA C 36 58.608 58.120 0.488 1
1 436 . 5 1 1 A 36 36 LYS CB C 36 32.089 32.116 -0.027 1
1 440 . 5 1 1 A 36 36 LYS N N 36 120.797 123.507 -2.710 1
1 441 . 5 1 1 A 37 37 GLY H H 37 9.113 9.016 0.097 1
1 442 . 5 1 1 A 37 37 GLY HA2 H 37 3.494 4.012 -0.518 1
1 443 . 5 1 1 A 37 37 GLY HA3 H 37 4.330 4.028 0.302 1
1 444 . 5 1 1 A 37 37 GLY C C 37 175.329 174.416 0.913 1
1 445 . 5 1 1 A 37 37 GLY CA C 37 44.853 44.991 -0.138 1
1 446 . 5 1 1 A 37 37 GLY N N 37 113.967 114.844 -0.877 1
1 447 . 5 1 1 A 38 38 ASN H H 38 8.447 7.788 0.659 1
1 448 . 5 1 1 A 38 38 ASN HA H 38 4.663 5.078 -0.415 1
1 453 . 5 1 1 A 38 38 ASN C C 38 174.878 174.313 0.565 1
1 454 . 5 1 1 A 38 38 ASN CA C 38 53.557 52.484 1.073 1
1 455 . 5 1 1 A 38 38 ASN CB C 38 39.155 39.995 -0.840 1
1 457 . 5 1 1 A 38 38 ASN N N 38 117.828 118.643 -0.815 1
1 459 . 5 1 1 A 39 39 GLU H H 39 8.331 8.654 -0.323 1
1 460 . 5 1 1 A 39 39 GLU HA H 39 4.254 4.574 -0.320 1
1 465 . 5 1 1 A 39 39 GLU C C 39 175.656 176.517 -0.861 1
1 466 . 5 1 1 A 39 39 GLU CA C 39 55.804 56.065 -0.261 1
1 467 . 5 1 1 A 39 39 GLU CB C 39 31.464 30.155 1.309 1
1 469 . 5 1 1 A 39 39 GLU N N 39 121.094 122.214 -1.120 1
1 470 . 5 1 1 A 40 40 VAL H H 40 9.138 8.986 0.152 1
1 471 . 5 1 1 A 40 40 VAL HA H 40 4.699 5.083 -0.384 1
1 479 . 5 1 1 A 40 40 VAL C C 40 173.240 174.332 -1.092 1
1 480 . 5 1 1 A 40 40 VAL CA C 40 59.559 59.930 -0.371 1
1 481 . 5 1 1 A 40 40 VAL CB C 40 32.896 34.987 -2.091 1
1 484 . 5 1 1 A 40 40 VAL N N 40 125.845 121.513 4.332 1
1 485 . 5 1 1 A 41 41 THR H H 41 8.328 9.088 -0.760 1
1 486 . 5 1 1 A 41 41 THR HA H 41 4.982 4.888 0.094 1
1 491 . 5 1 1 A 41 41 THR C C 41 174.455 173.273 1.182 1
1 492 . 5 1 1 A 41 41 THR CA C 41 61.964 61.659 0.305 1
1 493 . 5 1 1 A 41 41 THR CB C 41 69.623 70.384 -0.761 1
1 495 . 5 1 1 A 41 41 THR N N 41 117.531 117.623 -0.092 1
1 496 . 5 1 1 A 42 42 VAL H H 42 9.581 8.545 1.036 1
1 497 . 5 1 1 A 42 42 VAL HA H 42 5.669 4.518 1.151 1
1 505 . 5 1 1 A 42 42 VAL C C 42 174.919 174.303 0.616 1
1 506 . 5 1 1 A 42 42 VAL CA C 42 57.930 60.232 -2.302 1
1 507 . 5 1 1 A 42 42 VAL CB C 42 35.321 35.648 -0.327 1
1 510 . 5 1 1 A 42 42 VAL N N 42 117.828 125.591 -7.763 1
1 511 . 5 1 1 A 43 43 HIS H H 43 8.333 8.758 -0.425 1
1 512 . 5 1 1 A 43 43 HIS HA H 43 5.407 5.366 0.041 1
1 515 . 5 1 1 A 43 43 HIS C C 43 176.136 174.606 1.530 1
1 516 . 5 1 1 A 43 43 HIS CA C 43 54.147 54.748 -0.601 1
1 517 . 5 1 1 A 43 43 HIS CB C 43 35.339 32.245 3.094 1
1 518 . 5 1 1 A 43 43 HIS N N 43 119.906 125.221 -5.315 1
1 519 . 5 1 1 A 44 44 TYR H H 44 9.622 8.704 0.918 1
1 520 . 5 1 1 A 44 44 TYR HA H 44 6.247 6.306 -0.059 1
1 527 . 5 1 1 A 44 44 TYR C C 44 172.857 174.021 -1.164 1
1 528 . 5 1 1 A 44 44 TYR CA C 44 56.304 55.896 0.408 1
1 529 . 5 1 1 A 44 44 TYR CB C 44 43.537 42.230 1.307 1
1 530 . 5 1 1 A 44 44 TYR N N 44 117.234 118.811 -1.577 1
1 531 . 5 1 1 A 45 45 VAL H H 45 8.735 8.931 -0.196 1
1 532 . 5 1 1 A 45 45 VAL HA H 45 4.520 4.870 -0.350 1
1 540 . 5 1 1 A 45 45 VAL C C 45 175.200 174.902 0.298 1
1 541 . 5 1 1 A 45 45 VAL CA C 45 62.212 60.549 1.663 1
1 542 . 5 1 1 A 45 45 VAL CB C 45 35.550 35.138 0.412 1
1 545 . 5 1 1 A 45 45 VAL N N 45 118.125 119.403 -1.278 1
1 546 . 5 1 1 A 46 46 GLY H H 46 9.126 8.763 0.363 1
1 547 . 5 1 1 A 46 46 GLY HA2 H 46 4.539 4.259 0.280 1
1 548 . 5 1 1 A 46 46 GLY HA3 H 46 4.506 4.304 0.202 1
1 549 . 5 1 1 A 46 46 GLY C C 46 170.771 171.729 -0.958 1
1 550 . 5 1 1 A 46 46 GLY CA C 46 45.601 46.237 -0.636 1
1 551 . 5 1 1 A 46 46 GLY N N 46 114.858 111.668 3.190 1
1 552 . 5 1 1 A 47 47 LYS H H 47 9.121 8.075 1.046 1
1 553 . 5 1 1 A 47 47 LYS HA H 47 5.176 4.168 1.008 1
1 562 . 5 1 1 A 47 47 LYS C C 47 175.830 174.024 1.806 1
1 563 . 5 1 1 A 47 47 LYS CA C 47 53.937 53.977 -0.040 1
1 564 . 5 1 1 A 47 47 LYS CB C 47 37.021 36.019 1.002 1
1 568 . 5 1 1 A 47 47 LYS N N 47 123.469 118.978 4.491 1
1 569 . 5 1 1 A 48 48 LEU H H 48 8.016 8.741 -0.725 1
1 570 . 5 1 1 A 48 48 LEU HA H 48 4.692 4.490 0.202 1
1 580 . 5 1 1 A 48 48 LEU C C 48 178.031 176.535 1.496 1
1 581 . 5 1 1 A 48 48 LEU CA C 48 54.231 54.292 -0.061 1
1 582 . 5 1 1 A 48 48 LEU CB C 48 41.678 41.632 0.046 1
1 586 . 5 1 1 A 48 48 LEU N N 48 121.391 122.819 -1.428 1
1 587 . 5 1 1 A 49 49 GLU H H 49 8.085 8.636 -0.551 1
1 588 . 5 1 1 A 49 49 GLU HA H 49 3.835 3.857 -0.022 1
1 593 . 5 1 1 A 49 49 GLU C C 49 178.118 178.010 0.108 1
1 594 . 5 1 1 A 49 49 GLU CA C 49 59.974 59.436 0.538 1
1 595 . 5 1 1 A 49 49 GLU CB C 49 30.322 29.267 1.055 1
1 597 . 5 1 1 A 49 49 GLU N N 49 124.954 127.320 -2.366 1
1 598 . 5 1 1 A 50 50 SER H H 50 9.220 8.002 1.218 1
1 599 . 5 1 1 A 50 50 SER HA H 50 4.154 4.257 -0.103 1
1 602 . 5 1 1 A 50 50 SER C C 50 176.751 175.853 0.898 1
1 603 . 5 1 1 A 50 50 SER CA C 50 60.230 60.748 -0.518 1
1 604 . 5 1 1 A 50 50 SER CB C 50 62.229 62.867 -0.638 1
1 605 . 5 1 1 A 50 50 SER N N 50 112.186 114.516 -2.330 1
1 606 . 5 1 1 A 51 51 THR H H 51 6.784 7.847 -1.063 1
1 607 . 5 1 1 A 51 51 THR HA H 51 4.520 4.617 -0.097 1
1 612 . 5 1 1 A 51 51 THR C C 51 176.342 175.061 1.281 1
1 613 . 5 1 1 A 51 51 THR CA C 51 60.760 62.729 -1.969 1
1 614 . 5 1 1 A 51 51 THR CB C 51 71.046 71.037 0.009 1
1 616 . 5 1 1 A 51 51 THR N N 51 105.653 113.058 -7.405 1
1 617 . 5 1 1 A 52 52 GLY H H 52 8.296 8.834 -0.538 1
1 618 . 5 1 1 A 52 52 GLY HA2 H 52 3.680 3.906 -0.226 1
1 619 . 5 1 1 A 52 52 GLY HA3 H 52 4.096 3.921 0.175 1
1 620 . 5 1 1 A 52 52 GLY C C 52 173.336 174.241 -0.905 1
1 621 . 5 1 1 A 52 52 GLY CA C 52 45.711 46.117 -0.406 1
1 622 . 5 1 1 A 52 52 GLY N N 52 112.483 110.253 2.230 1
1 623 . 5 1 1 A 53 53 LYS H H 53 7.479 7.423 0.056 1
1 624 . 5 1 1 A 53 53 LYS HA H 53 4.218 4.579 -0.361 1
1 633 . 5 1 1 A 53 53 LYS C C 53 176.513 175.262 1.251 1
1 634 . 5 1 1 A 53 53 LYS CA C 53 56.217 54.604 1.613 1
1 635 . 5 1 1 A 53 53 LYS CB C 53 33.430 34.902 -1.472 1
1 639 . 5 1 1 A 53 53 LYS N N 53 119.609 119.175 0.434 1
1 640 . 5 1 1 A 54 54 VAL H H 54 8.511 8.582 -0.071 1
1 641 . 5 1 1 A 54 54 VAL HA H 54 4.244 3.978 0.266 1
1 649 . 5 1 1 A 54 54 VAL C C 54 176.879 176.006 0.873 1
1 650 . 5 1 1 A 54 54 VAL CA C 54 62.409 62.442 -0.033 1
1 651 . 5 1 1 A 54 54 VAL CB C 54 32.697 32.847 -0.150 1
1 654 . 5 1 1 A 54 54 VAL N N 54 126.109 126.043 0.066 1
1 655 . 5 1 1 A 55 55 PHE H H 55 8.325 8.014 0.311 1
1 656 . 5 1 1 A 55 55 PHE HA H 55 5.036 4.738 0.298 1
1 664 . 5 1 1 A 55 55 PHE C C 55 174.856 174.379 0.477 1
1 665 . 5 1 1 A 55 55 PHE CA C 55 55.758 57.888 -2.130 1
1 666 . 5 1 1 A 55 55 PHE CB C 55 40.399 38.514 1.885 1
1 667 . 5 1 1 A 55 55 PHE N N 55 124.063 126.283 -2.220 1
1 668 . 5 1 1 A 56 56 ASP H H 56 6.884 8.703 -1.819 1
1 669 . 5 1 1 A 56 56 ASP HA H 56 4.801 5.017 -0.216 1
1 672 . 5 1 1 A 56 56 ASP C C 56 173.688 174.841 -1.153 1
1 673 . 5 1 1 A 56 56 ASP CA C 56 54.956 53.057 1.899 1
1 674 . 5 1 1 A 56 56 ASP CB C 56 43.616 40.933 2.683 1
1 675 . 5 1 1 A 56 56 ASP N N 56 120.500 126.887 -6.387 1
1 676 . 5 1 1 A 57 57 SER H H 57 8.038 8.645 -0.607 1
1 677 . 5 1 1 A 57 57 SER HA H 57 4.796 5.102 -0.306 1
1 680 . 5 1 1 A 57 57 SER C C 57 174.997 174.043 0.954 1
1 681 . 5 1 1 A 57 57 SER CA C 57 55.792 55.936 -0.144 1
1 682 . 5 1 1 A 57 57 SER CB C 57 64.961 65.586 -0.625 1
1 683 . 5 1 1 A 57 57 SER N N 57 118.421 120.720 -2.299 1
1 684 . 5 1 1 A 58 58 SER H H 58 8.429 8.901 -0.472 1
1 685 . 5 1 1 A 58 58 SER HA H 58 4.080 3.959 0.121 1
1 688 . 5 1 1 A 58 58 SER C C 58 177.399 175.668 1.731 1
1 689 . 5 1 1 A 58 58 SER CA C 58 61.499 62.382 -0.883 1
1 690 . 5 1 1 A 58 58 SER CB C 58 65.069 62.489 2.580 1
1 691 . 5 1 1 A 58 58 SER N N 58 123.766 119.814 3.952 1
1 692 . 5 1 1 A 59 59 PHE H H 59 7.276 7.341 -0.065 1
1 693 . 5 1 1 A 59 59 PHE HA H 59 3.851 4.424 -0.573 1
1 701 . 5 1 1 A 59 59 PHE C C 59 178.929 177.975 0.954 1
1 702 . 5 1 1 A 59 59 PHE CA C 59 61.010 59.820 1.190 1
1 703 . 5 1 1 A 59 59 PHE CB C 59 38.129 39.982 -1.853 1
1 704 . 5 1 1 A 59 59 PHE N N 59 121.845 119.236 2.609 1
1 705 . 5 1 1 A 60 60 ASP H H 60 7.534 8.569 -1.035 1
1 706 . 5 1 1 A 60 60 ASP HA H 60 4.343 4.259 0.084 1
1 709 . 5 1 1 A 60 60 ASP C C 60 177.295 178.555 -1.260 1
1 710 . 5 1 1 A 60 60 ASP CA C 60 56.921 57.130 -0.209 1
1 711 . 5 1 1 A 60 60 ASP CB C 60 40.298 40.623 -0.325 1
1 712 . 5 1 1 A 60 60 ASP N N 60 119.015 118.819 0.196 1
1 713 . 5 1 1 A 61 61 ARG H H 61 7.224 8.223 -0.999 1
1 714 . 5 1 1 A 61 61 ARG HA H 61 4.378 4.163 0.215 1
1 721 . 5 1 1 A 61 61 ARG C C 61 175.798 178.219 -2.421 1
1 722 . 5 1 1 A 61 61 ARG CA C 61 55.209 58.173 -2.964 1
1 723 . 5 1 1 A 61 61 ARG CB C 61 32.610 29.437 3.173 1
1 726 . 5 1 1 A 61 61 ARG N N 61 115.452 118.700 -3.248 1
1 727 . 5 1 1 A 62 62 ASN H H 62 7.946 8.117 -0.171 1
1 728 . 5 1 1 A 62 62 ASN HA H 62 4.392 4.826 -0.434 1
1 733 . 5 1 1 A 62 62 ASN C C 62 173.776 175.043 -1.267 1
1 734 . 5 1 1 A 62 62 ASN CA C 62 54.269 54.855 -0.586 1
1 735 . 5 1 1 A 62 62 ASN CB C 62 38.597 40.121 -1.524 1
1 737 . 5 1 1 A 62 62 ASN N N 62 115.196 117.780 -2.584 1
1 739 . 5 1 1 A 63 63 VAL H H 63 7.278 7.723 -0.445 1
1 740 . 5 1 1 A 63 63 VAL HA H 63 4.628 4.534 0.094 1
1 748 . 5 1 1 A 63 63 VAL CA C 63 62.601 58.906 3.695 1
1 749 . 5 1 1 A 63 63 VAL CB C 63 35.186 33.973 1.213 1
1 752 . 5 1 1 A 63 63 VAL N N 63 115.155 114.647 0.508 1
1 753 . 5 1 1 A 64 64 PRO HA H 64 4.516 4.612 -0.096 1
1 760 . 5 1 1 A 64 64 PRO C C 64 174.254 176.102 -1.848 1
1 761 . 5 1 1 A 64 64 PRO CA C 64 62.601 62.663 -0.062 1
1 762 . 5 1 1 A 64 64 PRO CB C 64 31.977 32.204 -0.227 1
1 765 . 5 1 1 A 65 65 PHE H H 65 9.109 8.381 0.728 1
1 766 . 5 1 1 A 65 65 PHE HA H 65 4.821 4.886 -0.065 1
1 774 . 5 1 1 A 65 65 PHE C C 65 173.320 174.751 -1.431 1
1 775 . 5 1 1 A 65 65 PHE CA C 65 57.292 57.775 -0.483 1
1 776 . 5 1 1 A 65 65 PHE CB C 65 42.894 40.981 1.913 1
1 777 . 5 1 1 A 65 65 PHE N N 65 123.469 122.946 0.523 1
1 778 . 5 1 1 A 66 66 LYS H H 66 7.474 8.230 -0.756 1
1 779 . 5 1 1 A 66 66 LYS HA H 66 5.378 5.356 0.022 1
1 788 . 5 1 1 A 66 66 LYS C C 66 175.026 174.868 0.158 1
1 789 . 5 1 1 A 66 66 LYS CA C 66 53.876 54.233 -0.357 1
1 790 . 5 1 1 A 66 66 LYS CB C 66 35.471 35.716 -0.245 1
1 794 . 5 1 1 A 66 66 LYS N N 66 125.548 121.878 3.670 1
1 795 . 5 1 1 A 67 67 PHE H H 67 8.114 8.648 -0.534 1
1 796 . 5 1 1 A 67 67 PHE HA H 67 4.469 5.248 -0.779 1
1 804 . 5 1 1 A 67 67 PHE C C 67 172.049 172.724 -0.675 1
1 805 . 5 1 1 A 67 67 PHE CA C 67 55.662 55.035 0.627 1
1 806 . 5 1 1 A 67 67 PHE CB C 67 40.087 41.684 -1.597 1
1 807 . 5 1 1 A 67 67 PHE N N 67 115.419 116.998 -1.579 1
1 808 . 5 1 1 A 68 68 HIS H H 68 8.983 9.078 -0.095 1
1 809 . 5 1 1 A 68 68 HIS HA H 68 5.482 5.715 -0.233 1
1 812 . 5 1 1 A 68 68 HIS C C 68 174.742 174.740 0.002 1
1 813 . 5 1 1 A 68 68 HIS CA C 68 55.348 54.184 1.164 1
1 814 . 5 1 1 A 68 68 HIS CB C 68 28.470 32.762 -4.292 1
1 815 . 5 1 1 A 68 68 HIS N N 68 118.421 116.707 1.714 1
1 816 . 5 1 1 A 69 69 LEU H H 69 8.317 8.653 -0.336 1
1 817 . 5 1 1 A 69 69 LEU HA H 69 4.016 4.435 -0.419 1
1 827 . 5 1 1 A 69 69 LEU CA C 69 56.060 55.966 0.094 1
1 828 . 5 1 1 A 69 69 LEU CB C 69 42.903 42.210 0.693 1
1 832 . 5 1 1 A 69 69 LEU N N 69 126.736 125.123 1.613 1
1 833 . 5 1 1 A 70 70 GLU H H 70 9.618 9.041 0.577 1
1 834 . 5 1 1 A 70 70 GLU HA H 70 3.847 3.975 -0.128 1
1 839 . 5 1 1 A 70 70 GLU C C 70 174.818 176.979 -2.161 1
1 840 . 5 1 1 A 70 70 GLU CA C 70 58.625 57.333 1.292 1
1 841 . 5 1 1 A 70 70 GLU CB C 70 27.456 27.947 -0.491 1
1 843 . 5 1 1 A 70 70 GLU N N 70 124.954 125.888 -0.934 1
1 844 . 5 1 1 A 71 71 GLN H H 71 8.248 8.320 -0.072 1
1 845 . 5 1 1 A 71 71 GLN HA H 71 4.678 4.358 0.320 1
1 852 . 5 1 1 A 71 71 GLN CA C 71 54.218 54.935 -0.717 1
1 853 . 5 1 1 A 71 71 GLN CB C 71 30.422 28.265 2.157 1
1 856 . 5 1 1 A 71 71 GLN N N 71 114.858 118.333 -3.475 1
1 858 . 5 1 1 A 72 72 GLY H H 72 8.362 7.629 0.733 1
1 859 . 5 1 1 A 72 72 GLY HA2 H 72 4.145 3.991 0.154 1
1 860 . 5 1 1 A 72 72 GLY HA3 H 72 4.059 4.001 0.058 1
1 861 . 5 1 1 A 72 72 GLY C C 72 175.783 175.326 0.457 1
1 862 . 5 1 1 A 72 72 GLY CA C 72 46.838 45.570 1.268 1
1 863 . 5 1 1 A 72 72 GLY N N 72 110.404 109.498 0.906 1
1 864 . 5 1 1 A 73 73 GLU H H 73 9.085 8.220 0.865 1
1 865 . 5 1 1 A 73 73 GLU HA H 73 4.187 4.345 -0.158 1
1 870 . 5 1 1 A 73 73 GLU C C 73 175.522 176.176 -0.654 1
1 871 . 5 1 1 A 73 73 GLU CA C 73 57.443 56.435 1.008 1
1 872 . 5 1 1 A 73 73 GLU CB C 73 31.378 30.196 1.182 1
1 874 . 5 1 1 A 73 73 GLU N N 73 118.421 117.548 0.873 1
1 875 . 5 1 1 A 74 74 VAL H H 74 6.862 7.411 -0.549 1
1 876 . 5 1 1 A 74 74 VAL HA H 74 4.281 4.499 -0.218 1
1 884 . 5 1 1 A 74 74 VAL C C 74 175.773 175.509 0.264 1
1 885 . 5 1 1 A 74 74 VAL CA C 74 57.468 60.732 -3.264 1
1 886 . 5 1 1 A 74 74 VAL CB C 74 36.344 33.776 2.568 1
1 889 . 5 1 1 A 74 74 VAL N N 74 108.919 114.191 -5.272 1
1 890 . 5 1 1 A 75 75 ILE H H 75 7.462 9.282 -1.820 1
1 891 . 5 1 1 A 75 75 ILE HA H 75 3.844 4.337 -0.493 1
1 901 . 5 1 1 A 75 75 ILE C C 75 177.618 177.261 0.357 1
1 902 . 5 1 1 A 75 75 ILE CA C 75 62.213 62.506 -0.293 1
1 903 . 5 1 1 A 75 75 ILE CB C 75 37.337 38.452 -1.115 1
1 907 . 5 1 1 A 75 75 ILE N N 75 113.373 123.179 -9.806 1
1 908 . 5 1 1 A 76 76 LYS H H 76 9.047 8.240 0.807 1
1 909 . 5 1 1 A 76 76 LYS HA H 76 4.282 4.476 -0.194 1
1 918 . 5 1 1 A 76 76 LYS C C 76 180.009 178.175 1.834 1
1 919 . 5 1 1 A 76 76 LYS CA C 76 59.482 57.178 2.304 1
1 920 . 5 1 1 A 76 76 LYS CB C 76 32.740 34.953 -2.213 1
1 924 . 5 1 1 A 76 76 LYS N N 76 124.954 121.062 3.892 1
1 925 . 5 1 1 A 77 77 GLY H H 77 9.775 8.064 1.711 1
1 926 . 5 1 1 A 77 77 GLY HA2 H 77 3.786 3.346 0.440 1
1 927 . 5 1 1 A 77 77 GLY HA3 H 77 3.618 3.443 0.175 1
1 928 . 5 1 1 A 77 77 GLY C C 77 175.261 176.485 -1.224 1
1 929 . 5 1 1 A 77 77 GLY CA C 77 47.402 47.178 0.224 1
1 930 . 5 1 1 A 77 77 GLY N N 77 101.199 106.687 -5.488 1
1 931 . 5 1 1 A 78 78 TRP H H 78 7.817 7.731 0.086 1
1 932 . 5 1 1 A 78 78 TRP HA H 78 4.017 4.784 -0.767 1
1 940 . 5 1 1 A 78 78 TRP C C 78 177.610 178.054 -0.444 1
1 941 . 5 1 1 A 78 78 TRP CA C 78 61.524 60.050 1.474 1
1 942 . 5 1 1 A 78 78 TRP CB C 78 28.655 28.994 -0.339 1
1 943 . 5 1 1 A 78 78 TRP N N 78 120.203 122.313 -2.110 1
1 944 . 5 1 1 A 79 79 ASP H H 79 6.967 8.265 -1.298 1
1 945 . 5 1 1 A 79 79 ASP HA H 79 4.738 4.454 0.284 1
1 948 . 5 1 1 A 79 79 ASP C C 79 179.125 179.156 -0.031 1
1 949 . 5 1 1 A 79 79 ASP CA C 79 58.492 57.686 0.806 1
1 950 . 5 1 1 A 79 79 ASP CB C 79 41.181 41.774 -0.593 1
1 951 . 5 1 1 A 79 79 ASP N N 79 121.688 119.823 1.865 1
1 952 . 5 1 1 A 80 80 ILE H H 80 8.173 7.772 0.401 1
1 953 . 5 1 1 A 80 80 ILE HA H 80 3.617 3.791 -0.174 1
1 963 . 5 1 1 A 80 80 ILE C C 80 177.849 177.813 0.036 1
1 964 . 5 1 1 A 80 80 ILE CA C 80 64.758 64.134 0.624 1
1 965 . 5 1 1 A 80 80 ILE CB C 80 39.198 36.935 2.263 1
1 969 . 5 1 1 A 80 80 ILE N N 80 118.125 119.112 -0.987 1
1 970 . 5 1 1 A 81 81 CYS H H 81 7.961 7.790 0.171 1
1 971 . 5 1 1 A 81 81 CYS HA H 81 4.456 4.081 0.375 1
1 974 . 5 1 1 A 81 81 CYS C C 81 178.812 176.856 1.956 1
1 975 . 5 1 1 A 81 81 CYS CA C 81 63.059 62.697 0.362 1
1 976 . 5 1 1 A 81 81 CYS CB C 81 27.732 26.622 1.110 1
1 977 . 5 1 1 A 81 81 CYS N N 81 116.937 121.213 -4.276 1
1 978 . 5 1 1 A 82 82 VAL H H 82 9.434 8.657 0.777 1
1 979 . 5 1 1 A 82 82 VAL HA H 82 3.476 3.862 -0.386 1
1 987 . 5 1 1 A 82 82 VAL C C 82 176.456 178.121 -1.665 1
1 988 . 5 1 1 A 82 82 VAL CA C 82 66.977 65.082 1.895 1
1 989 . 5 1 1 A 82 82 VAL CB C 82 30.171 31.762 -1.591 1
1 992 . 5 1 1 A 82 82 VAL N N 82 121.688 119.058 2.630 1
1 993 . 5 1 1 A 83 83 SER H H 83 7.541 7.882 -0.341 1
1 994 . 5 1 1 A 83 83 SER HA H 83 3.964 4.390 -0.426 1
1 997 . 5 1 1 A 83 83 SER C C 83 173.661 175.893 -2.232 1
1 998 . 5 1 1 A 83 83 SER CA C 83 61.551 61.433 0.118 1
1 999 . 5 1 1 A 83 83 SER CB C 83 63.239 63.251 -0.012 1
1 1000 . 5 1 1 A 83 83 SER N N 83 111.889 117.563 -5.674 1
1 1001 . 5 1 1 A 84 84 SER H H 84 7.471 7.594 -0.123 1
1 1002 . 5 1 1 A 84 84 SER HA H 84 4.530 4.619 -0.089 1
1 1005 . 5 1 1 A 84 84 SER C C 84 174.314 173.750 0.564 1
1 1006 . 5 1 1 A 84 84 SER CA C 84 58.440 57.558 0.882 1
1 1007 . 5 1 1 A 84 84 SER CB C 84 65.929 63.634 2.295 1
1 1008 . 5 1 1 A 84 84 SER N N 84 114.264 114.285 -0.021 1
1 1009 . 5 1 1 A 85 85 MET H H 85 7.441 7.162 0.279 1
1 1010 . 5 1 1 A 85 85 MET HA H 85 4.262 4.949 -0.687 1
1 1015 . 5 1 1 A 85 85 MET C C 85 172.768 174.690 -1.922 1
1 1016 . 5 1 1 A 85 85 MET CA C 85 56.502 54.044 2.458 1
1 1017 . 5 1 1 A 85 85 MET CB C 85 36.378 36.039 0.339 1
1 1019 . 5 1 1 A 85 85 MET N N 85 124.657 120.335 4.322 1
1 1020 . 5 1 1 A 86 86 ARG H H 86 7.045 8.711 -1.666 1
1 1021 . 5 1 1 A 86 86 ARG HA H 86 4.879 4.802 0.077 1
1 1028 . 5 1 1 A 86 86 ARG C C 86 177.468 176.042 1.426 1
1 1029 . 5 1 1 A 86 86 ARG CA C 86 53.395 54.057 -0.662 1
1 1030 . 5 1 1 A 86 86 ARG CB C 86 33.244 33.438 -0.194 1
1 1033 . 5 1 1 A 86 86 ARG N N 86 114.264 120.936 -6.672 1
1 1034 . 5 1 1 A 87 87 LYS H H 87 8.818 8.748 0.070 1
1 1035 . 5 1 1 A 87 87 LYS HA H 87 3.554 3.783 -0.229 1
1 1044 . 5 1 1 A 87 87 LYS C C 87 175.382 176.922 -1.540 1
1 1045 . 5 1 1 A 87 87 LYS CA C 87 60.175 58.607 1.568 1
1 1046 . 5 1 1 A 87 87 LYS CB C 87 33.195 32.467 0.728 1
1 1050 . 5 1 1 A 87 87 LYS N N 87 121.391 125.805 -4.414 1
1 1051 . 5 1 1 A 88 88 ASN H H 88 8.943 7.937 1.006 1
1 1052 . 5 1 1 A 88 88 ASN HA H 88 4.291 4.916 -0.625 1
1 1057 . 5 1 1 A 88 88 ASN C C 88 174.124 173.644 0.480 1
1 1058 . 5 1 1 A 88 88 ASN CA C 88 56.703 52.915 3.788 1
1 1059 . 5 1 1 A 88 88 ASN CB C 88 36.677 39.365 -2.688 1
1 1060 . 5 1 1 A 88 88 ASN N N 88 116.640 114.410 2.230 1
1 1062 . 5 1 1 A 89 89 GLU H H 89 8.677 7.139 1.538 1
1 1063 . 5 1 1 A 89 89 GLU HA H 89 4.358 5.140 -0.782 1
1 1068 . 5 1 1 A 89 89 GLU C C 89 174.903 174.202 0.701 1
1 1069 . 5 1 1 A 89 89 GLU CA C 89 56.190 54.738 1.452 1
1 1070 . 5 1 1 A 89 89 GLU CB C 89 33.096 33.476 -0.380 1
1 1072 . 5 1 1 A 89 89 GLU N N 89 122.876 120.605 2.271 1
1 1073 . 5 1 1 A 90 90 LYS H H 90 8.580 8.523 0.057 1
1 1074 . 5 1 1 A 90 90 LYS HA H 90 5.542 5.304 0.238 1
1 1083 . 5 1 1 A 90 90 LYS C C 90 175.593 174.941 0.652 1
1 1084 . 5 1 1 A 90 90 LYS CA C 90 54.210 55.199 -0.989 1
1 1085 . 5 1 1 A 90 90 LYS CB C 90 36.189 35.971 0.218 1
1 1089 . 5 1 1 A 90 90 LYS N N 90 123.469 125.569 -2.100 1
1 1090 . 5 1 1 A 91 91 CYS H H 91 9.673 8.582 1.091 1
1 1091 . 5 1 1 A 91 91 CYS HA H 91 5.524 5.138 0.386 1
1 1094 . 5 1 1 A 91 91 CYS C C 91 170.527 172.371 -1.844 1
1 1095 . 5 1 1 A 91 91 CYS CA C 91 54.690 56.237 -1.547 1
1 1096 . 5 1 1 A 91 91 CYS CB C 91 32.542 32.322 0.220 1
1 1097 . 5 1 1 A 91 91 CYS N N 91 122.579 123.690 -1.111 1
1 1098 . 5 1 1 A 92 92 LEU H H 92 8.984 8.995 -0.011 1
1 1099 . 5 1 1 A 92 92 LEU HA H 92 5.458 5.153 0.305 1
1 1109 . 5 1 1 A 92 92 LEU C C 92 175.596 175.106 0.490 1
1 1110 . 5 1 1 A 92 92 LEU CA C 92 53.413 53.553 -0.140 1
1 1111 . 5 1 1 A 92 92 LEU CB C 92 44.972 43.178 1.794 1
1 1115 . 5 1 1 A 92 92 LEU N N 92 122.282 120.268 2.014 1
1 1116 . 5 1 1 A 93 93 VAL H H 93 10.107 8.783 1.324 1
1 1117 . 5 1 1 A 93 93 VAL HA H 93 5.506 4.715 0.791 1
1 1125 . 5 1 1 A 93 93 VAL C C 93 171.051 174.207 -3.156 1
1 1126 . 5 1 1 A 93 93 VAL CA C 93 58.200 59.960 -1.760 1
1 1127 . 5 1 1 A 93 93 VAL CB C 93 35.276 34.051 1.225 1
1 1130 . 5 1 1 A 93 93 VAL N N 93 126.224 125.916 0.308 1
1 1131 . 5 1 1 A 94 94 ARG H H 94 8.949 8.811 0.138 1
1 1132 . 5 1 1 A 94 94 ARG HA H 94 5.133 4.601 0.532 1
1 1139 . 5 1 1 A 94 94 ARG C C 94 175.823 175.212 0.611 1
1 1140 . 5 1 1 A 94 94 ARG CA C 94 56.219 55.842 0.377 1
1 1141 . 5 1 1 A 94 94 ARG CB C 94 32.039 30.869 1.170 1
1 1144 . 5 1 1 A 94 94 ARG N N 94 130.596 126.892 3.704 1
1 1145 . 5 1 1 A 95 95 ILE H H 95 9.655 9.148 0.507 1
1 1146 . 5 1 1 A 95 95 ILE HA H 95 4.899 4.582 0.317 1
1 1156 . 5 1 1 A 95 95 ILE C C 95 175.215 175.294 -0.079 1
1 1157 . 5 1 1 A 95 95 ILE CA C 95 60.582 60.617 -0.035 1
1 1158 . 5 1 1 A 95 95 ILE CB C 95 37.359 37.514 -0.155 1
1 1162 . 5 1 1 A 95 95 ILE N N 95 129.905 126.525 3.380 1
1 1163 . 5 1 1 A 96 96 GLU H H 96 9.213 8.828 0.385 1
1 1164 . 5 1 1 A 96 96 GLU HA H 96 4.320 4.355 -0.035 1
1 1169 . 5 1 1 A 96 96 GLU C C 96 177.897 177.588 0.309 1
1 1170 . 5 1 1 A 96 96 GLU CA C 96 57.568 55.513 2.055 1
1 1171 . 5 1 1 A 96 96 GLU CB C 96 29.676 30.913 -1.237 1
1 1173 . 5 1 1 A 96 96 GLU N N 96 126.439 128.615 -2.176 1
1 1174 . 5 1 1 A 97 97 SER H H 97 8.693 8.799 -0.106 1
1 1175 . 5 1 1 A 97 97 SER HA H 97 4.370 4.088 0.282 1
1 1178 . 5 1 1 A 97 97 SER C C 97 178.668 175.440 3.228 1
1 1179 . 5 1 1 A 97 97 SER CA C 97 62.800 61.933 0.867 1
1 1180 . 5 1 1 A 97 97 SER CB C 97 64.591 62.637 1.954 1
1 1181 . 5 1 1 A 97 97 SER N N 97 115.749 119.247 -3.498 1
1 1182 . 5 1 1 A 98 98 MET H H 98 8.937 8.319 0.618 1
1 1183 . 5 1 1 A 98 98 MET HA H 98 4.170 4.240 -0.070 1
1 1188 . 5 1 1 A 98 98 MET C C 98 179.250 176.246 3.004 1
1 1189 . 5 1 1 A 98 98 MET CA C 98 58.702 56.970 1.732 1
1 1190 . 5 1 1 A 98 98 MET CB C 98 31.047 31.906 -0.859 1
1 1192 . 5 1 1 A 98 98 MET N N 98 121.985 118.516 3.469 1
1 1193 . 5 1 1 A 99 99 TYR H H 99 7.927 7.793 0.134 1
1 1194 . 5 1 1 A 99 99 TYR HA H 99 4.435 4.554 -0.119 1
1 1201 . 5 1 1 A 99 99 TYR C C 99 173.125 175.640 -2.515 1
1 1202 . 5 1 1 A 99 99 TYR CA C 99 58.064 58.477 -0.413 1
1 1203 . 5 1 1 A 99 99 TYR CB C 99 39.570 39.043 0.527 1
1 1204 . 5 1 1 A 99 99 TYR N N 99 116.640 117.850 -1.210 1
1 1205 . 5 1 1 A 100 100 GLY H H 100 7.802 7.446 0.356 1
1 1206 . 5 1 1 A 100 100 GLY HA2 H 100 3.223 3.951 -0.728 1
1 1207 . 5 1 1 A 100 100 GLY HA3 H 100 4.309 4.060 0.249 1
1 1208 . 5 1 1 A 100 100 GLY C C 100 173.213 171.757 1.456 1
1 1209 . 5 1 1 A 100 100 GLY CA C 100 45.062 44.205 0.857 1
1 1210 . 5 1 1 A 100 100 GLY N N 100 110.998 107.821 3.177 1
1 1211 . 5 1 1 A 101 101 TYR H H 101 9.407 8.824 0.583 1
1 1212 . 5 1 1 A 101 101 TYR HA H 101 4.443 4.850 -0.407 1
1 1219 . 5 1 1 A 101 101 TYR C C 101 176.014 176.177 -0.163 1
1 1220 . 5 1 1 A 101 101 TYR CA C 101 58.944 57.632 1.312 1
1 1221 . 5 1 1 A 101 101 TYR CB C 101 37.732 39.409 -1.677 1
1 1222 . 5 1 1 A 101 101 TYR N N 101 126.439 122.937 3.502 1
1 1223 . 5 1 1 A 102 102 GLY H H 102 8.231 8.600 -0.369 1
1 1224 . 5 1 1 A 102 102 GLY HA2 H 102 4.001 4.137 -0.136 1
1 1225 . 5 1 1 A 102 102 GLY HA3 H 102 3.715 4.188 -0.473 1
1 1226 . 5 1 1 A 102 102 GLY C C 102 175.685 174.952 0.733 1
1 1227 . 5 1 1 A 102 102 GLY CA C 102 46.447 46.069 0.378 1
1 1228 . 5 1 1 A 102 102 GLY N N 102 107.138 114.699 -7.561 1
1 1229 . 5 1 1 A 103 103 ASP H H 103 8.983 8.124 0.859 1
1 1230 . 5 1 1 A 103 103 ASP HA H 103 4.277 4.273 0.004 1
1 1233 . 5 1 1 A 103 103 ASP C C 103 176.677 177.440 -0.763 1
1 1234 . 5 1 1 A 103 103 ASP CA C 103 56.352 56.592 -0.240 1
1 1235 . 5 1 1 A 103 103 ASP CB C 103 40.640 40.647 -0.007 1
1 1236 . 5 1 1 A 103 103 ASP N N 103 124.954 120.613 4.341 1
1 1237 . 5 1 1 A 104 104 GLU H H 104 8.552 7.793 0.759 1
1 1238 . 5 1 1 A 104 104 GLU HA H 104 4.139 4.044 0.095 1
1 1243 . 5 1 1 A 104 104 GLU C C 104 179.142 176.416 2.726 1
1 1244 . 5 1 1 A 104 104 GLU CA C 104 58.100 58.877 -0.777 1
1 1245 . 5 1 1 A 104 104 GLU CB C 104 30.076 29.920 0.156 1
1 1247 . 5 1 1 A 104 104 GLU N N 104 117.531 118.729 -1.198 1
1 1248 . 5 1 1 A 105 105 GLY H H 105 7.188 7.468 -0.280 1
1 1249 . 5 1 1 A 105 105 GLY HA2 H 105 3.137 4.104 -0.967 1
1 1250 . 5 1 1 A 105 105 GLY HA3 H 105 4.012 4.105 -0.093 1
1 1251 . 5 1 1 A 105 105 GLY C C 105 171.730 172.124 -0.394 1
1 1252 . 5 1 1 A 105 105 GLY CA C 105 44.214 46.051 -1.837 1
1 1253 . 5 1 1 A 105 105 GLY N N 105 104.168 105.968 -1.800 1
1 1254 . 5 1 1 A 106 106 CYS H H 106 9.026 8.297 0.729 1
1 1255 . 5 1 1 A 106 106 CYS HA H 106 4.253 4.886 -0.633 1
1 1258 . 5 1 1 A 106 106 CYS C C 106 173.438 174.984 -1.546 1
1 1259 . 5 1 1 A 106 106 CYS CA C 106 57.814 59.094 -1.280 1
1 1260 . 5 1 1 A 106 106 CYS CB C 106 26.162 28.778 -2.616 1
1 1261 . 5 1 1 A 106 106 CYS N N 106 121.949 122.155 -0.206 1
1 1262 . 5 1 1 A 107 107 GLY H H 107 8.584 8.271 0.313 1
1 1263 . 5 1 1 A 107 107 GLY HA2 H 107 3.706 4.147 -0.441 1
1 1264 . 5 1 1 A 107 107 GLY HA3 H 107 3.954 4.184 -0.230 1
1 1265 . 5 1 1 A 107 107 GLY C C 107 173.461 175.145 -1.684 1
1 1266 . 5 1 1 A 107 107 GLY CA C 107 45.258 45.874 -0.616 1
1 1267 . 5 1 1 A 107 107 GLY N N 107 114.561 111.088 3.473 1
1 1268 . 5 1 1 A 108 108 GLU H H 108 8.503 8.864 -0.361 1
1 1269 . 5 1 1 A 108 108 GLU HA H 108 4.051 4.025 0.026 1
1 1274 . 5 1 1 A 108 108 GLU C C 108 178.118 178.174 -0.056 1
1 1275 . 5 1 1 A 108 108 GLU CA C 108 57.478 59.444 -1.966 1
1 1276 . 5 1 1 A 108 108 GLU CB C 108 29.835 29.635 0.200 1
1 1278 . 5 1 1 A 108 108 GLU N N 108 119.609 123.363 -3.754 1
1 1279 . 5 1 1 A 109 109 SER H H 109 8.082 7.968 0.114 1
1 1280 . 5 1 1 A 109 109 SER HA H 109 4.127 4.446 -0.319 1
1 1283 . 5 1 1 A 109 109 SER C C 109 173.569 174.721 -1.152 1
1 1284 . 5 1 1 A 109 109 SER CA C 109 60.141 59.983 0.158 1
1 1285 . 5 1 1 A 109 109 SER CB C 109 63.935 63.852 0.083 1
1 1286 . 5 1 1 A 109 109 SER N N 109 112.186 112.218 -0.032 1
1 1287 . 5 1 1 A 110 110 ILE H H 110 6.570 7.764 -1.194 1
1 1288 . 5 1 1 A 110 110 ILE HA H 110 4.235 4.624 -0.389 1
1 1298 . 5 1 1 A 110 110 ILE CA C 110 58.031 58.327 -0.296 1
1 1299 . 5 1 1 A 110 110 ILE CB C 110 39.086 38.068 1.018 1
1 1303 . 5 1 1 A 110 110 ILE N N 110 116.937 115.665 1.272 1
1 1304 . 5 1 1 A 111 111 PRO HA H 111 4.510 4.787 -0.277 1
1 1311 . 5 1 1 A 111 111 PRO C C 111 179.076 177.266 1.810 1
1 1312 . 5 1 1 A 111 111 PRO CA C 111 61.703 62.900 -1.197 1
1 1313 . 5 1 1 A 111 111 PRO CB C 111 32.729 32.969 -0.240 1
1 1316 . 5 1 1 A 112 112 GLY H H 112 9.018 8.619 0.399 1
1 1317 . 5 1 1 A 112 112 GLY HA2 H 112 3.461 4.103 -0.642 1
1 1318 . 5 1 1 A 112 112 GLY HA3 H 112 3.714 4.108 -0.394 1
1 1319 . 5 1 1 A 112 112 GLY C C 112 172.723 174.436 -1.713 1
1 1320 . 5 1 1 A 112 112 GLY CA C 112 46.262 45.276 0.986 1
1 1321 . 5 1 1 A 112 112 GLY N N 112 111.592 109.162 2.430 1
1 1322 . 5 1 1 A 113 113 ASN H H 113 8.381 8.108 0.273 1
1 1323 . 5 1 1 A 113 113 ASN HA H 113 4.278 4.386 -0.108 1
1 1328 . 5 1 1 A 113 113 ASN C C 113 174.643 173.790 0.853 1
1 1329 . 5 1 1 A 113 113 ASN CA C 113 54.388 54.557 -0.169 1
1 1330 . 5 1 1 A 113 113 ASN CB C 113 37.204 37.062 0.142 1
1 1331 . 5 1 1 A 113 113 ASN N N 113 116.937 111.852 5.085 1
1 1333 . 5 1 1 A 114 114 SER H H 114 7.617 7.518 0.099 1
1 1334 . 5 1 1 A 114 114 SER HA H 114 4.517 4.991 -0.474 1
1 1337 . 5 1 1 A 114 114 SER C C 114 172.904 172.710 0.194 1
1 1338 . 5 1 1 A 114 114 SER CA C 114 59.864 56.602 3.262 1
1 1339 . 5 1 1 A 114 114 SER CB C 114 64.678 66.844 -2.166 1
1 1340 . 5 1 1 A 114 114 SER N N 114 113.077 110.281 2.796 1
1 1341 . 5 1 1 A 115 115 VAL H H 115 8.500 8.843 -0.343 1
1 1342 . 5 1 1 A 115 115 VAL HA H 115 4.341 5.115 -0.774 1
1 1350 . 5 1 1 A 115 115 VAL C C 115 176.075 173.949 2.126 1
1 1351 . 5 1 1 A 115 115 VAL CA C 115 62.705 59.804 2.901 1
1 1352 . 5 1 1 A 115 115 VAL CB C 115 31.546 34.159 -2.613 1
1 1355 . 5 1 1 A 115 115 VAL N N 115 124.360 121.240 3.120 1
1 1356 . 5 1 1 A 116 116 LEU H H 116 9.104 9.532 -0.428 1
1 1357 . 5 1 1 A 116 116 LEU HA H 116 5.002 4.960 0.042 1
1 1367 . 5 1 1 A 116 116 LEU C C 116 174.923 175.388 -0.465 1
1 1368 . 5 1 1 A 116 116 LEU CA C 116 53.123 53.474 -0.351 1
1 1369 . 5 1 1 A 116 116 LEU CB C 116 45.379 45.891 -0.512 1
1 1373 . 5 1 1 A 116 116 LEU N N 116 128.814 129.175 -0.361 1
1 1374 . 5 1 1 A 117 117 LEU H H 117 9.009 8.013 0.996 1
1 1375 . 5 1 1 A 117 117 LEU HA H 117 5.601 5.179 0.422 1
1 1385 . 5 1 1 A 117 117 LEU C C 117 176.574 174.981 1.593 1
1 1386 . 5 1 1 A 117 117 LEU CA C 117 52.750 53.047 -0.297 1
1 1387 . 5 1 1 A 117 117 LEU CB C 117 44.693 45.623 -0.930 1
1 1391 . 5 1 1 A 117 117 LEU N N 117 121.391 117.591 3.800 1
1 1392 . 5 1 1 A 118 118 PHE H H 118 9.375 8.839 0.536 1
1 1393 . 5 1 1 A 118 118 PHE HA H 118 6.155 5.249 0.906 1
1 1401 . 5 1 1 A 118 118 PHE C C 118 176.518 175.926 0.592 1
1 1402 . 5 1 1 A 118 118 PHE CA C 118 55.411 56.200 -0.789 1
1 1403 . 5 1 1 A 118 118 PHE CB C 118 42.385 42.653 -0.268 1
1 1404 . 5 1 1 A 118 118 PHE N N 118 117.531 119.133 -1.602 1
1 1405 . 5 1 1 A 119 119 GLU H H 119 8.905 9.701 -0.796 1
1 1406 . 5 1 1 A 119 119 GLU HA H 119 5.604 4.713 0.891 1
1 1411 . 5 1 1 A 119 119 GLU C C 119 175.947 176.071 -0.124 1
1 1412 . 5 1 1 A 119 119 GLU CA C 119 60.489 56.997 3.492 1
1 1413 . 5 1 1 A 119 119 GLU CB C 119 31.189 30.308 0.881 1
1 1415 . 5 1 1 A 119 119 GLU N N 119 122.876 122.680 0.196 1
1 1416 . 5 1 1 A 120 120 ILE H H 120 8.912 8.824 0.088 1
1 1417 . 5 1 1 A 120 120 ILE HA H 120 4.965 5.035 -0.070 1
1 1427 . 5 1 1 A 120 120 ILE C C 120 173.341 174.514 -1.173 1
1 1428 . 5 1 1 A 120 120 ILE CA C 120 60.568 60.155 0.413 1
1 1429 . 5 1 1 A 120 120 ILE CB C 120 41.927 38.596 3.331 1
1 1433 . 5 1 1 A 120 120 ILE N N 120 123.000 126.720 -3.720 1
1 1434 . 5 1 1 A 121 121 GLU H H 121 9.074 9.022 0.052 1
1 1435 . 5 1 1 A 121 121 GLU HA H 121 5.445 5.145 0.300 1
1 1440 . 5 1 1 A 121 121 GLU C C 121 175.254 174.716 0.538 1
1 1441 . 5 1 1 A 121 121 GLU CA C 121 53.941 54.745 -0.804 1
1 1442 . 5 1 1 A 121 121 GLU CB C 121 33.897 32.905 0.992 1
1 1444 . 5 1 1 A 121 121 GLU N N 121 128.221 129.528 -1.307 1
1 1445 . 5 1 1 A 122 122 LEU H H 122 8.112 8.739 -0.627 1
1 1446 . 5 1 1 A 122 122 LEU HA H 122 4.680 4.412 0.268 1
1 1456 . 5 1 1 A 122 122 LEU C C 122 174.472 176.455 -1.983 1
1 1457 . 5 1 1 A 122 122 LEU CA C 122 54.403 55.003 -0.600 1
1 1458 . 5 1 1 A 122 122 LEU CB C 122 40.796 43.245 -2.449 1
1 1462 . 5 1 1 A 122 122 LEU N N 122 127.033 128.080 -1.047 1
1 1463 . 5 1 1 A 123 123 LEU H H 123 8.704 8.595 0.109 1
1 1464 . 5 1 1 A 123 123 LEU HA H 123 4.385 4.628 -0.243 1
1 1474 . 5 1 1 A 123 123 LEU C C 123 177.614 176.870 0.744 1
1 1475 . 5 1 1 A 123 123 LEU CA C 123 57.095 55.183 1.912 1
1 1476 . 5 1 1 A 123 123 LEU CB C 123 42.226 43.386 -1.160 1
1 1480 . 5 1 1 A 123 123 LEU N N 123 128.814 123.316 5.498 1
1 1481 . 5 1 1 A 124 124 SER H H 124 7.602 7.279 0.323 1
1 1482 . 5 1 1 A 124 124 SER HA H 124 4.161 4.932 -0.771 1
1 1485 . 5 1 1 A 124 124 SER C C 124 171.375 172.430 -1.055 1
1 1486 . 5 1 1 A 124 124 SER CA C 124 57.545 57.046 0.499 1
1 1487 . 5 1 1 A 124 124 SER CB C 124 63.359 65.447 -2.088 1
1 1488 . 5 1 1 A 124 124 SER N N 124 105.653 113.170 -7.517 1
1 1489 . 5 1 1 A 125 125 PHE H H 125 7.818 9.028 -1.210 1
1 1490 . 5 1 1 A 125 125 PHE HA H 125 5.451 5.208 0.243 1
1 1498 . 5 1 1 A 125 125 PHE C C 125 173.154 173.184 -0.030 1
1 1499 . 5 1 1 A 125 125 PHE CA C 125 56.463 56.280 0.183 1
1 1500 . 5 1 1 A 125 125 PHE CB C 125 42.301 41.027 1.274 1
1 1501 . 5 1 1 A 125 125 PHE N N 125 113.373 120.142 -6.769 1
1 1502 . 5 1 1 A 126 126 ARG H H 126 8.934 8.523 0.411 1
1 1503 . 5 1 1 A 126 126 ARG HA H 126 4.693 4.786 -0.093 1
1 1510 . 5 1 1 A 126 126 ARG C C 126 174.013 173.732 0.281 1
1 1511 . 5 1 1 A 126 126 ARG CA C 126 54.654 54.653 0.001 1
1 1512 . 5 1 1 A 126 126 ARG CB C 126 33.064 34.319 -1.255 1
1 1515 . 5 1 1 A 126 126 ARG N N 126 116.046 118.171 -2.125 1
1 1516 . 5 1 1 A 127 127 GLU H H 127 8.665 8.511 0.154 1
1 1517 . 5 1 1 A 127 127 GLU HA H 127 4.436 5.105 -0.669 1
1 1522 . 5 1 1 A 127 127 GLU C C 127 176.050 175.430 0.620 1
1 1523 . 5 1 1 A 127 127 GLU CA C 127 55.552 55.159 0.393 1
1 1524 . 5 1 1 A 127 127 GLU CB C 127 30.600 30.797 -0.197 1
1 1 . 6 1 1 A 2 2 THR HA H 2 4.479 4.532 -0.053 1
1 6 . 6 1 1 A 2 2 THR C C 2 174.348 174.523 -0.175 1
1 7 . 6 1 1 A 2 2 THR CA C 2 61.838 61.072 0.766 1
1 8 . 6 1 1 A 2 2 THR CB C 2 69.919 68.507 1.412 1
1 10 . 6 1 1 A 3 3 THR H H 3 8.289 8.760 -0.471 1
1 11 . 6 1 1 A 3 3 THR HA H 3 4.282 4.779 -0.497 1
1 16 . 6 1 1 A 3 3 THR C C 3 174.404 173.824 0.580 1
1 17 . 6 1 1 A 3 3 THR CA C 3 62.140 61.335 0.805 1
1 18 . 6 1 1 A 3 3 THR CB C 3 69.658 69.314 0.344 1
1 20 . 6 1 1 A 3 3 THR N N 3 116.640 123.739 -7.099 1
1 21 . 6 1 1 A 4 4 GLU H H 4 8.567 7.864 0.703 1
1 22 . 6 1 1 A 4 4 GLU HA H 4 4.156 4.748 -0.592 1
1 27 . 6 1 1 A 4 4 GLU C C 4 176.216 175.681 0.535 1
1 28 . 6 1 1 A 4 4 GLU CA C 4 56.929 54.513 2.416 1
1 29 . 6 1 1 A 4 4 GLU CB C 4 29.821 31.911 -2.090 1
1 31 . 6 1 1 A 4 4 GLU N N 4 123.469 121.959 1.510 1
1 32 . 6 1 1 A 5 5 GLN H H 5 8.222 8.588 -0.366 1
1 33 . 6 1 1 A 5 5 GLN HA H 5 4.167 4.321 -0.154 1
1 40 . 6 1 1 A 5 5 GLN C C 5 175.216 175.366 -0.150 1
1 41 . 6 1 1 A 5 5 GLN CA C 5 55.674 56.465 -0.791 1
1 42 . 6 1 1 A 5 5 GLN CB C 5 29.553 28.982 0.571 1
1 45 . 6 1 1 A 5 5 GLN N N 5 120.797 125.309 -4.512 1
1 47 . 6 1 1 A 6 6 GLU H H 6 8.171 8.753 -0.582 1
1 48 . 6 1 1 A 6 6 GLU HA H 6 4.080 4.463 -0.383 1
1 53 . 6 1 1 A 6 6 GLU C C 6 175.870 174.862 1.008 1
1 54 . 6 1 1 A 6 6 GLU CA C 6 56.400 55.743 0.657 1
1 55 . 6 1 1 A 6 6 GLU CB C 6 30.335 28.185 2.150 1
1 57 . 6 1 1 A 6 6 GLU N N 6 122.100 127.573 -5.473 1
1 58 . 6 1 1 A 7 7 PHE H H 7 8.051 8.594 -0.543 1
1 59 . 6 1 1 A 7 7 PHE HA H 7 4.710 5.057 -0.347 1
1 67 . 6 1 1 A 7 7 PHE C C 7 175.461 174.352 1.109 1
1 68 . 6 1 1 A 7 7 PHE CA C 7 56.825 56.693 0.132 1
1 69 . 6 1 1 A 7 7 PHE CB C 7 39.812 43.918 -4.106 1
1 70 . 6 1 1 A 7 7 PHE N N 7 120.500 126.458 -5.958 1
1 71 . 6 1 1 A 8 8 GLU H H 8 8.626 9.086 -0.460 1
1 72 . 6 1 1 A 8 8 GLU HA H 8 4.193 5.141 -0.948 1
1 77 . 6 1 1 A 8 8 GLU C C 8 176.141 175.704 0.437 1
1 78 . 6 1 1 A 8 8 GLU CA C 8 56.932 54.787 2.145 1
1 79 . 6 1 1 A 8 8 GLU CB C 8 30.794 33.085 -2.291 1
1 81 . 6 1 1 A 8 8 GLU N N 8 123.469 121.757 1.712 1
1 82 . 6 1 1 A 9 9 LYS H H 9 8.396 8.671 -0.275 1
1 83 . 6 1 1 A 9 9 LYS HA H 9 5.100 4.747 0.353 1
1 92 . 6 1 1 A 9 9 LYS C C 9 176.168 176.072 0.096 1
1 93 . 6 1 1 A 9 9 LYS CA C 9 55.428 55.714 -0.286 1
1 94 . 6 1 1 A 9 9 LYS CB C 9 34.214 34.019 0.195 1
1 98 . 6 1 1 A 9 9 LYS N N 9 124.954 125.355 -0.401 1
1 99 . 6 1 1 A 10 10 VAL H H 10 9.445 8.912 0.533 1
1 100 . 6 1 1 A 10 10 VAL HA H 10 4.278 4.529 -0.251 1
1 108 . 6 1 1 A 10 10 VAL C C 10 174.967 174.905 0.062 1
1 109 . 6 1 1 A 10 10 VAL CA C 10 60.951 61.662 -0.711 1
1 110 . 6 1 1 A 10 10 VAL CB C 10 34.681 32.651 2.030 1
1 113 . 6 1 1 A 10 10 VAL N N 10 124.360 122.796 1.564 1
1 114 . 6 1 1 A 11 11 GLU H H 11 9.021 8.776 0.245 1
1 115 . 6 1 1 A 11 11 GLU HA H 11 4.369 4.680 -0.311 1
1 120 . 6 1 1 A 11 11 GLU C C 11 174.797 176.315 -1.518 1
1 121 . 6 1 1 A 11 11 GLU CA C 11 56.728 55.702 1.026 1
1 122 . 6 1 1 A 11 11 GLU CB C 11 28.655 30.802 -2.147 1
1 124 . 6 1 1 A 11 11 GLU N N 11 127.924 127.980 -0.056 1
1 125 . 6 1 1 A 12 12 LEU H H 12 8.396 8.999 -0.603 1
1 126 . 6 1 1 A 12 12 LEU HA H 12 4.311 3.967 0.344 1
1 136 . 6 1 1 A 12 12 LEU C C 12 176.600 176.407 0.193 1
1 137 . 6 1 1 A 12 12 LEU CA C 12 55.292 55.674 -0.382 1
1 138 . 6 1 1 A 12 12 LEU CB C 12 42.624 40.859 1.765 1
1 142 . 6 1 1 A 12 12 LEU N N 12 124.954 121.244 3.710 1
1 143 . 6 1 1 A 13 13 THR H H 13 7.328 7.434 -0.106 1
1 144 . 6 1 1 A 13 13 THR HA H 13 4.530 4.335 0.195 1
1 149 . 6 1 1 A 13 13 THR C C 13 175.180 176.031 -0.851 1
1 150 . 6 1 1 A 13 13 THR CA C 13 59.603 62.392 -2.789 1
1 151 . 6 1 1 A 13 13 THR CB C 13 70.742 69.507 1.235 1
1 153 . 6 1 1 A 13 13 THR N N 13 106.841 113.701 -6.860 1
1 154 . 6 1 1 A 14 14 ALA H H 14 8.689 8.874 -0.185 1
1 155 . 6 1 1 A 14 14 ALA HA H 14 4.247 4.156 0.091 1
1 159 . 6 1 1 A 14 14 ALA C C 14 177.522 177.747 -0.225 1
1 160 . 6 1 1 A 14 14 ALA CA C 14 53.875 53.459 0.416 1
1 161 . 6 1 1 A 14 14 ALA CB C 14 17.920 18.753 -0.833 1
1 162 . 6 1 1 A 14 14 ALA N N 14 123.733 128.827 -5.094 1
1 163 . 6 1 1 A 15 15 ASP H H 15 7.516 7.796 -0.280 1
1 164 . 6 1 1 A 15 15 ASP HA H 15 4.518 4.687 -0.169 1
1 167 . 6 1 1 A 15 15 ASP C C 15 177.402 176.445 0.957 1
1 168 . 6 1 1 A 15 15 ASP CA C 15 52.635 54.168 -1.533 1
1 169 . 6 1 1 A 15 15 ASP CB C 15 40.912 41.103 -0.191 1
1 170 . 6 1 1 A 15 15 ASP N N 15 113.967 116.916 -2.949 1
1 171 . 6 1 1 A 16 16 GLY H H 16 7.986 8.062 -0.076 1
1 172 . 6 1 1 A 16 16 GLY HA2 H 16 4.080 3.967 0.113 1
1 173 . 6 1 1 A 16 16 GLY HA3 H 16 3.529 3.980 -0.451 1
1 174 . 6 1 1 A 16 16 GLY C C 16 175.233 175.296 -0.063 1
1 175 . 6 1 1 A 16 16 GLY CA C 16 45.798 45.036 0.762 1
1 176 . 6 1 1 A 16 16 GLY N N 16 108.919 106.136 2.783 1
1 177 . 6 1 1 A 17 17 GLY H H 17 8.681 8.548 0.133 1
1 178 . 6 1 1 A 17 17 GLY HA2 H 17 4.513 3.947 0.566 1
1 179 . 6 1 1 A 17 17 GLY HA3 H 17 4.513 3.957 0.556 1
1 180 . 6 1 1 A 17 17 GLY C C 17 172.684 173.897 -1.213 1
1 181 . 6 1 1 A 17 17 GLY CA C 17 46.672 46.746 -0.074 1
1 182 . 6 1 1 A 17 17 GLY N N 17 108.663 108.349 0.314 1
1 183 . 6 1 1 A 18 18 VAL H H 18 6.903 7.569 -0.666 1
1 184 . 6 1 1 A 18 18 VAL HA H 18 4.855 4.307 0.548 1
1 192 . 6 1 1 A 18 18 VAL C C 18 174.737 174.622 0.115 1
1 193 . 6 1 1 A 18 18 VAL CA C 18 62.035 60.112 1.923 1
1 194 . 6 1 1 A 18 18 VAL CB C 18 33.315 35.370 -2.055 1
1 197 . 6 1 1 A 18 18 VAL N N 18 117.234 118.415 -1.181 1
1 198 . 6 1 1 A 19 19 ILE H H 19 8.243 8.383 -0.140 1
1 199 . 6 1 1 A 19 19 ILE HA H 19 4.665 4.610 0.055 1
1 209 . 6 1 1 A 19 19 ILE C C 19 174.360 175.412 -1.052 1
1 210 . 6 1 1 A 19 19 ILE CA C 19 60.736 60.756 -0.020 1
1 211 . 6 1 1 A 19 19 ILE CB C 19 41.856 36.989 4.867 1
1 215 . 6 1 1 A 19 19 ILE N N 19 126.439 126.287 0.152 1
1 216 . 6 1 1 A 20 20 LYS H H 20 9.345 8.872 0.473 1
1 217 . 6 1 1 A 20 20 LYS HA H 20 5.296 5.094 0.202 1
1 226 . 6 1 1 A 20 20 LYS C C 20 173.618 174.718 -1.100 1
1 227 . 6 1 1 A 20 20 LYS CA C 20 54.842 54.468 0.374 1
1 228 . 6 1 1 A 20 20 LYS CB C 20 36.261 36.057 0.204 1
1 232 . 6 1 1 A 20 20 LYS N N 20 129.408 124.850 4.558 1
1 233 . 6 1 1 A 21 21 THR H H 21 9.597 9.350 0.247 1
1 234 . 6 1 1 A 21 21 THR HA H 21 4.923 4.783 0.140 1
1 239 . 6 1 1 A 21 21 THR C C 21 174.648 173.325 1.323 1
1 240 . 6 1 1 A 21 21 THR CA C 21 61.703 61.746 -0.043 1
1 241 . 6 1 1 A 21 21 THR CB C 21 70.230 70.783 -0.553 1
1 243 . 6 1 1 A 21 21 THR N N 21 123.469 117.051 6.418 1
1 244 . 6 1 1 A 22 22 ILE H H 22 9.248 8.785 0.463 1
1 245 . 6 1 1 A 22 22 ILE HA H 22 3.637 4.251 -0.614 1
1 255 . 6 1 1 A 22 22 ILE C C 22 174.348 174.880 -0.532 1
1 256 . 6 1 1 A 22 22 ILE CA C 22 64.258 61.032 3.226 1
1 257 . 6 1 1 A 22 22 ILE CB C 22 37.551 39.031 -1.480 1
1 261 . 6 1 1 A 22 22 ILE N N 22 128.517 127.349 1.168 1
1 262 . 6 1 1 A 23 23 LEU H H 23 8.498 8.502 -0.004 1
1 263 . 6 1 1 A 23 23 LEU HA H 23 4.180 3.799 0.381 1
1 273 . 6 1 1 A 23 23 LEU C C 23 177.521 176.155 1.366 1
1 274 . 6 1 1 A 23 23 LEU CA C 23 55.460 55.585 -0.125 1
1 275 . 6 1 1 A 23 23 LEU CB C 23 42.239 43.452 -1.213 1
1 279 . 6 1 1 A 23 23 LEU N N 23 128.517 129.368 -0.851 1
1 280 . 6 1 1 A 24 24 LYS H H 24 8.020 7.739 0.281 1
1 281 . 6 1 1 A 24 24 LYS HA H 24 4.392 4.495 -0.103 1
1 290 . 6 1 1 A 24 24 LYS C C 24 174.465 175.510 -1.045 1
1 291 . 6 1 1 A 24 24 LYS CA C 24 55.848 55.366 0.482 1
1 292 . 6 1 1 A 24 24 LYS CB C 24 35.692 33.164 2.528 1
1 296 . 6 1 1 A 24 24 LYS N N 24 120.797 118.438 2.359 1
1 297 . 6 1 1 A 25 25 LYS H H 25 8.657 8.676 -0.019 1
1 298 . 6 1 1 A 25 25 LYS HA H 25 4.178 4.561 -0.383 1
1 307 . 6 1 1 A 25 25 LYS C C 25 177.616 176.521 1.095 1
1 308 . 6 1 1 A 25 25 LYS CA C 25 57.218 56.300 0.918 1
1 309 . 6 1 1 A 25 25 LYS CB C 25 32.846 33.147 -0.301 1
1 313 . 6 1 1 A 25 25 LYS N N 25 126.439 128.707 -2.268 1
1 314 . 6 1 1 A 26 26 GLY H H 26 9.728 9.120 0.608 1
1 315 . 6 1 1 A 26 26 GLY HA2 H 26 3.408 4.032 -0.624 1
1 316 . 6 1 1 A 26 26 GLY HA3 H 26 4.120 4.039 0.081 1
1 317 . 6 1 1 A 26 26 GLY C C 26 173.278 173.426 -0.148 1
1 318 . 6 1 1 A 26 26 GLY CA C 26 43.709 44.466 -0.757 1
1 319 . 6 1 1 A 26 26 GLY N N 26 110.404 112.985 -2.581 1
1 320 . 6 1 1 A 27 27 ASP H H 27 8.550 8.566 -0.016 1
1 321 . 6 1 1 A 27 27 ASP HA H 27 4.401 5.262 -0.861 1
1 324 . 6 1 1 A 27 27 ASP C C 27 175.993 173.884 2.109 1
1 325 . 6 1 1 A 27 27 ASP CA C 27 55.105 52.383 2.722 1
1 326 . 6 1 1 A 27 27 ASP CB C 27 41.688 45.042 -3.354 1
1 327 . 6 1 1 A 27 27 ASP N N 27 121.391 120.754 0.637 1
1 328 . 6 1 1 A 28 28 GLU H H 28 8.419 8.617 -0.198 1
1 329 . 6 1 1 A 28 28 GLU HA H 28 4.063 4.680 -0.617 1
1 334 . 6 1 1 A 28 28 GLU C C 28 176.146 175.949 0.197 1
1 335 . 6 1 1 A 28 28 GLU CA C 28 57.076 56.284 0.792 1
1 336 . 6 1 1 A 28 28 GLU CB C 28 30.774 30.594 0.180 1
1 338 . 6 1 1 A 28 28 GLU N N 28 120.203 120.657 -0.454 1
1 339 . 6 1 1 A 29 29 GLY H H 29 8.364 8.464 -0.100 1
1 340 . 6 1 1 A 29 29 GLY HA2 H 29 4.758 4.139 0.619 1
1 341 . 6 1 1 A 29 29 GLY HA3 H 29 4.584 4.148 0.436 1
1 342 . 6 1 1 A 29 29 GLY C C 29 175.976 174.553 1.423 1
1 343 . 6 1 1 A 29 29 GLY CA C 29 44.686 45.743 -1.057 1
1 344 . 6 1 1 A 29 29 GLY N N 29 110.404 113.085 -2.681 1
1 345 . 6 1 1 A 30 30 GLU H H 30 8.867 8.368 0.499 1
1 346 . 6 1 1 A 30 30 GLU HA H 30 3.749 3.930 -0.181 1
1 351 . 6 1 1 A 30 30 GLU C C 30 177.872 177.890 -0.018 1
1 352 . 6 1 1 A 30 30 GLU CA C 30 59.045 59.291 -0.246 1
1 353 . 6 1 1 A 30 30 GLU CB C 30 29.030 29.604 -0.574 1
1 355 . 6 1 1 A 30 30 GLU N N 30 125.251 123.979 1.272 1
1 356 . 6 1 1 A 31 31 GLU H H 31 9.842 7.832 2.010 1
1 357 . 6 1 1 A 31 31 GLU HA H 31 4.312 4.400 -0.088 1
1 362 . 6 1 1 A 31 31 GLU C C 31 176.330 176.930 -0.600 1
1 363 . 6 1 1 A 31 31 GLU CA C 31 57.437 56.638 0.799 1
1 364 . 6 1 1 A 31 31 GLU CB C 31 28.040 30.079 -2.039 1
1 366 . 6 1 1 A 31 31 GLU N N 31 118.421 118.491 -0.070 1
1 367 . 6 1 1 A 32 32 ASN H H 32 7.731 8.028 -0.297 1
1 368 . 6 1 1 A 32 32 ASN HA H 32 5.127 5.240 -0.113 1
1 373 . 6 1 1 A 32 32 ASN C C 32 172.750 173.615 -0.865 1
1 374 . 6 1 1 A 32 32 ASN CA C 32 54.111 52.303 1.808 1
1 375 . 6 1 1 A 32 32 ASN CB C 32 40.161 37.943 2.218 1
1 376 . 6 1 1 A 32 32 ASN N N 32 116.937 118.438 -1.501 1
1 378 . 6 1 1 A 33 33 ILE H H 33 7.105 8.308 -1.203 1
1 379 . 6 1 1 A 33 33 ILE HA H 33 4.793 4.548 0.245 1
1 389 . 6 1 1 A 33 33 ILE CA C 33 57.895 57.443 0.452 1
1 390 . 6 1 1 A 33 33 ILE CB C 33 40.609 41.556 -0.947 1
1 394 . 6 1 1 A 33 33 ILE N N 33 121.985 125.761 -3.776 1
1 395 . 6 1 1 A 34 34 PRO HA H 34 4.065 4.974 -0.909 1
1 402 . 6 1 1 A 34 34 PRO C C 34 173.754 176.234 -2.480 1
1 403 . 6 1 1 A 34 34 PRO CA C 34 61.962 62.444 -0.482 1
1 404 . 6 1 1 A 34 34 PRO CB C 34 31.877 31.701 0.176 1
1 407 . 6 1 1 A 35 35 LYS H H 35 7.101 8.666 -1.565 1
1 408 . 6 1 1 A 35 35 LYS HA H 35 4.377 4.817 -0.440 1
1 417 . 6 1 1 A 35 35 LYS C C 35 175.712 176.054 -0.342 1
1 418 . 6 1 1 A 35 35 LYS CA C 35 53.404 54.577 -1.173 1
1 419 . 6 1 1 A 35 35 LYS CB C 35 35.229 36.414 -1.185 1
1 423 . 6 1 1 A 35 35 LYS N N 35 116.046 122.169 -6.123 1
1 424 . 6 1 1 A 36 36 LYS H H 36 8.144 8.447 -0.303 1
1 425 . 6 1 1 A 36 36 LYS HA H 36 3.515 4.261 -0.746 1
1 434 . 6 1 1 A 36 36 LYS C C 36 176.774 176.868 -0.094 1
1 435 . 6 1 1 A 36 36 LYS CA C 36 58.608 56.224 2.384 1
1 436 . 6 1 1 A 36 36 LYS CB C 36 32.089 33.102 -1.013 1
1 440 . 6 1 1 A 36 36 LYS N N 36 120.797 121.096 -0.299 1
1 441 . 6 1 1 A 37 37 GLY H H 37 9.113 8.811 0.302 1
1 442 . 6 1 1 A 37 37 GLY HA2 H 37 3.494 3.990 -0.496 1
1 443 . 6 1 1 A 37 37 GLY HA3 H 37 4.330 4.002 0.328 1
1 444 . 6 1 1 A 37 37 GLY C C 37 175.329 174.330 0.999 1
1 445 . 6 1 1 A 37 37 GLY CA C 37 44.853 45.024 -0.171 1
1 446 . 6 1 1 A 37 37 GLY N N 37 113.967 112.206 1.761 1
1 447 . 6 1 1 A 38 38 ASN H H 38 8.447 7.439 1.008 1
1 448 . 6 1 1 A 38 38 ASN HA H 38 4.663 4.896 -0.233 1
1 453 . 6 1 1 A 38 38 ASN C C 38 174.878 175.056 -0.178 1
1 454 . 6 1 1 A 38 38 ASN CA C 38 53.557 52.597 0.960 1
1 455 . 6 1 1 A 38 38 ASN CB C 38 39.155 39.873 -0.718 1
1 457 . 6 1 1 A 38 38 ASN N N 38 117.828 119.511 -1.683 1
1 459 . 6 1 1 A 39 39 GLU H H 39 8.331 8.476 -0.145 1
1 460 . 6 1 1 A 39 39 GLU HA H 39 4.254 4.216 0.038 1
1 465 . 6 1 1 A 39 39 GLU C C 39 175.656 176.094 -0.438 1
1 466 . 6 1 1 A 39 39 GLU CA C 39 55.804 55.982 -0.178 1
1 467 . 6 1 1 A 39 39 GLU CB C 39 31.464 29.188 2.276 1
1 469 . 6 1 1 A 39 39 GLU N N 39 121.094 121.600 -0.506 1
1 470 . 6 1 1 A 40 40 VAL H H 40 9.138 8.384 0.754 1
1 471 . 6 1 1 A 40 40 VAL HA H 40 4.699 4.966 -0.267 1
1 479 . 6 1 1 A 40 40 VAL C C 40 173.240 174.625 -1.385 1
1 480 . 6 1 1 A 40 40 VAL CA C 40 59.559 60.324 -0.765 1
1 481 . 6 1 1 A 40 40 VAL CB C 40 32.896 33.763 -0.867 1
1 484 . 6 1 1 A 40 40 VAL N N 40 125.845 118.647 7.198 1
1 485 . 6 1 1 A 41 41 THR H H 41 8.328 9.130 -0.802 1
1 486 . 6 1 1 A 41 41 THR HA H 41 4.982 4.851 0.131 1
1 491 . 6 1 1 A 41 41 THR C C 41 174.455 173.542 0.913 1
1 492 . 6 1 1 A 41 41 THR CA C 41 61.964 62.083 -0.119 1
1 493 . 6 1 1 A 41 41 THR CB C 41 69.623 69.520 0.103 1
1 495 . 6 1 1 A 41 41 THR N N 41 117.531 118.795 -1.264 1
1 496 . 6 1 1 A 42 42 VAL H H 42 9.581 8.735 0.846 1
1 497 . 6 1 1 A 42 42 VAL HA H 42 5.669 5.255 0.414 1
1 505 . 6 1 1 A 42 42 VAL C C 42 174.919 173.916 1.003 1
1 506 . 6 1 1 A 42 42 VAL CA C 42 57.930 59.164 -1.234 1
1 507 . 6 1 1 A 42 42 VAL CB C 42 35.321 34.769 0.552 1
1 510 . 6 1 1 A 42 42 VAL N N 42 117.828 120.035 -2.207 1
1 511 . 6 1 1 A 43 43 HIS H H 43 8.333 8.517 -0.184 1
1 512 . 6 1 1 A 43 43 HIS HA H 43 5.407 5.367 0.040 1
1 515 . 6 1 1 A 43 43 HIS C C 43 176.136 174.448 1.688 1
1 516 . 6 1 1 A 43 43 HIS CA C 43 54.147 53.913 0.234 1
1 517 . 6 1 1 A 43 43 HIS CB C 43 35.339 32.232 3.107 1
1 518 . 6 1 1 A 43 43 HIS N N 43 119.906 122.171 -2.265 1
1 519 . 6 1 1 A 44 44 TYR H H 44 9.622 9.006 0.616 1
1 520 . 6 1 1 A 44 44 TYR HA H 44 6.247 6.463 -0.216 1
1 527 . 6 1 1 A 44 44 TYR C C 44 172.857 173.878 -1.021 1
1 528 . 6 1 1 A 44 44 TYR CA C 44 56.304 55.607 0.697 1
1 529 . 6 1 1 A 44 44 TYR CB C 44 43.537 42.802 0.735 1
1 530 . 6 1 1 A 44 44 TYR N N 44 117.234 118.828 -1.594 1
1 531 . 6 1 1 A 45 45 VAL H H 45 8.735 8.489 0.246 1
1 532 . 6 1 1 A 45 45 VAL HA H 45 4.520 4.751 -0.231 1
1 540 . 6 1 1 A 45 45 VAL C C 45 175.200 174.677 0.523 1
1 541 . 6 1 1 A 45 45 VAL CA C 45 62.212 60.219 1.993 1
1 542 . 6 1 1 A 45 45 VAL CB C 45 35.550 34.878 0.672 1
1 545 . 6 1 1 A 45 45 VAL N N 45 118.125 119.563 -1.438 1
1 546 . 6 1 1 A 46 46 GLY H H 46 9.126 8.140 0.986 1
1 547 . 6 1 1 A 46 46 GLY HA2 H 46 4.539 4.137 0.402 1
1 548 . 6 1 1 A 46 46 GLY HA3 H 46 4.506 4.160 0.346 1
1 549 . 6 1 1 A 46 46 GLY C C 46 170.771 171.605 -0.834 1
1 550 . 6 1 1 A 46 46 GLY CA C 46 45.601 46.058 -0.457 1
1 551 . 6 1 1 A 46 46 GLY N N 46 114.858 111.237 3.621 1
1 552 . 6 1 1 A 47 47 LYS H H 47 9.121 8.057 1.064 1
1 553 . 6 1 1 A 47 47 LYS HA H 47 5.176 4.643 0.533 1
1 562 . 6 1 1 A 47 47 LYS C C 47 175.830 174.214 1.616 1
1 563 . 6 1 1 A 47 47 LYS CA C 47 53.937 54.309 -0.372 1
1 564 . 6 1 1 A 47 47 LYS CB C 47 37.021 36.089 0.932 1
1 568 . 6 1 1 A 47 47 LYS N N 47 123.469 118.962 4.507 1
1 569 . 6 1 1 A 48 48 LEU H H 48 8.016 9.245 -1.229 1
1 570 . 6 1 1 A 48 48 LEU HA H 48 4.692 4.616 0.076 1
1 580 . 6 1 1 A 48 48 LEU C C 48 178.031 176.580 1.451 1
1 581 . 6 1 1 A 48 48 LEU CA C 48 54.231 54.532 -0.301 1
1 582 . 6 1 1 A 48 48 LEU CB C 48 41.678 42.097 -0.419 1
1 586 . 6 1 1 A 48 48 LEU N N 48 121.391 122.941 -1.550 1
1 587 . 6 1 1 A 49 49 GLU H H 49 8.085 8.530 -0.445 1
1 588 . 6 1 1 A 49 49 GLU HA H 49 3.835 3.883 -0.048 1
1 593 . 6 1 1 A 49 49 GLU C C 49 178.118 177.849 0.269 1
1 594 . 6 1 1 A 49 49 GLU CA C 49 59.974 59.606 0.368 1
1 595 . 6 1 1 A 49 49 GLU CB C 49 30.322 29.211 1.111 1
1 597 . 6 1 1 A 49 49 GLU N N 49 124.954 127.529 -2.575 1
1 598 . 6 1 1 A 50 50 SER H H 50 9.220 7.922 1.298 1
1 599 . 6 1 1 A 50 50 SER HA H 50 4.154 4.136 0.018 1
1 602 . 6 1 1 A 50 50 SER C C 50 176.751 176.124 0.627 1
1 603 . 6 1 1 A 50 50 SER CA C 50 60.230 61.473 -1.243 1
1 604 . 6 1 1 A 50 50 SER CB C 50 62.229 63.226 -0.997 1
1 605 . 6 1 1 A 50 50 SER N N 50 112.186 114.941 -2.755 1
1 606 . 6 1 1 A 51 51 THR H H 51 6.784 8.040 -1.256 1
1 607 . 6 1 1 A 51 51 THR HA H 51 4.520 4.504 0.016 1
1 612 . 6 1 1 A 51 51 THR C C 51 176.342 174.924 1.418 1
1 613 . 6 1 1 A 51 51 THR CA C 51 60.760 62.660 -1.900 1
1 614 . 6 1 1 A 51 51 THR CB C 51 71.046 70.880 0.166 1
1 616 . 6 1 1 A 51 51 THR N N 51 105.653 112.604 -6.951 1
1 617 . 6 1 1 A 52 52 GLY H H 52 8.296 8.184 0.112 1
1 618 . 6 1 1 A 52 52 GLY HA2 H 52 3.680 3.961 -0.281 1
1 619 . 6 1 1 A 52 52 GLY HA3 H 52 4.096 3.963 0.133 1
1 620 . 6 1 1 A 52 52 GLY C C 52 173.336 174.231 -0.895 1
1 621 . 6 1 1 A 52 52 GLY CA C 52 45.711 46.613 -0.902 1
1 622 . 6 1 1 A 52 52 GLY N N 52 112.483 110.503 1.980 1
1 623 . 6 1 1 A 53 53 LYS H H 53 7.479 7.622 -0.143 1
1 624 . 6 1 1 A 53 53 LYS HA H 53 4.218 4.817 -0.599 1
1 633 . 6 1 1 A 53 53 LYS C C 53 176.513 175.374 1.139 1
1 634 . 6 1 1 A 53 53 LYS CA C 53 56.217 54.813 1.404 1
1 635 . 6 1 1 A 53 53 LYS CB C 53 33.430 35.178 -1.748 1
1 639 . 6 1 1 A 53 53 LYS N N 53 119.609 119.737 -0.128 1
1 640 . 6 1 1 A 54 54 VAL H H 54 8.511 8.635 -0.124 1
1 641 . 6 1 1 A 54 54 VAL HA H 54 4.244 4.300 -0.056 1
1 649 . 6 1 1 A 54 54 VAL C C 54 176.879 176.069 0.810 1
1 650 . 6 1 1 A 54 54 VAL CA C 54 62.409 61.961 0.448 1
1 651 . 6 1 1 A 54 54 VAL CB C 54 32.697 33.010 -0.313 1
1 654 . 6 1 1 A 54 54 VAL N N 54 126.109 126.044 0.065 1
1 655 . 6 1 1 A 55 55 PHE H H 55 8.325 8.827 -0.502 1
1 656 . 6 1 1 A 55 55 PHE HA H 55 5.036 4.739 0.297 1
1 664 . 6 1 1 A 55 55 PHE C C 55 174.856 174.417 0.439 1
1 665 . 6 1 1 A 55 55 PHE CA C 55 55.758 58.086 -2.328 1
1 666 . 6 1 1 A 55 55 PHE CB C 55 40.399 38.644 1.755 1
1 667 . 6 1 1 A 55 55 PHE N N 55 124.063 126.458 -2.395 1
1 668 . 6 1 1 A 56 56 ASP H H 56 6.884 8.575 -1.691 1
1 669 . 6 1 1 A 56 56 ASP HA H 56 4.801 5.202 -0.401 1
1 672 . 6 1 1 A 56 56 ASP C C 56 173.688 174.799 -1.111 1
1 673 . 6 1 1 A 56 56 ASP CA C 56 54.956 52.947 2.009 1
1 674 . 6 1 1 A 56 56 ASP CB C 56 43.616 41.458 2.158 1
1 675 . 6 1 1 A 56 56 ASP N N 56 120.500 126.923 -6.423 1
1 676 . 6 1 1 A 57 57 SER H H 57 8.038 8.775 -0.737 1
1 677 . 6 1 1 A 57 57 SER HA H 57 4.796 5.185 -0.389 1
1 680 . 6 1 1 A 57 57 SER C C 57 174.997 174.577 0.420 1
1 681 . 6 1 1 A 57 57 SER CA C 57 55.792 56.172 -0.380 1
1 682 . 6 1 1 A 57 57 SER CB C 57 64.961 65.561 -0.600 1
1 683 . 6 1 1 A 57 57 SER N N 57 118.421 121.097 -2.676 1
1 684 . 6 1 1 A 58 58 SER H H 58 8.429 9.092 -0.663 1
1 685 . 6 1 1 A 58 58 SER HA H 58 4.080 3.959 0.121 1
1 688 . 6 1 1 A 58 58 SER C C 58 177.399 176.402 0.997 1
1 689 . 6 1 1 A 58 58 SER CA C 58 61.499 62.514 -1.015 1
1 690 . 6 1 1 A 58 58 SER CB C 58 65.069 62.468 2.601 1
1 691 . 6 1 1 A 58 58 SER N N 58 123.766 121.369 2.397 1
1 692 . 6 1 1 A 59 59 PHE H H 59 7.276 7.668 -0.392 1
1 693 . 6 1 1 A 59 59 PHE HA H 59 3.851 4.411 -0.560 1
1 701 . 6 1 1 A 59 59 PHE C C 59 178.929 178.221 0.708 1
1 702 . 6 1 1 A 59 59 PHE CA C 59 61.010 60.616 0.394 1
1 703 . 6 1 1 A 59 59 PHE CB C 59 38.129 39.715 -1.586 1
1 704 . 6 1 1 A 59 59 PHE N N 59 121.845 119.404 2.441 1
1 705 . 6 1 1 A 60 60 ASP H H 60 7.534 8.751 -1.217 1
1 706 . 6 1 1 A 60 60 ASP HA H 60 4.343 4.254 0.089 1
1 709 . 6 1 1 A 60 60 ASP C C 60 177.295 178.045 -0.750 1
1 710 . 6 1 1 A 60 60 ASP CA C 60 56.921 57.114 -0.193 1
1 711 . 6 1 1 A 60 60 ASP CB C 60 40.298 40.466 -0.168 1
1 712 . 6 1 1 A 60 60 ASP N N 60 119.015 118.918 0.097 1
1 713 . 6 1 1 A 61 61 ARG H H 61 7.224 8.501 -1.277 1
1 714 . 6 1 1 A 61 61 ARG HA H 61 4.378 4.170 0.208 1
1 721 . 6 1 1 A 61 61 ARG C C 61 175.798 177.011 -1.213 1
1 722 . 6 1 1 A 61 61 ARG CA C 61 55.209 57.526 -2.317 1
1 723 . 6 1 1 A 61 61 ARG CB C 61 32.610 29.480 3.130 1
1 726 . 6 1 1 A 61 61 ARG N N 61 115.452 118.233 -2.781 1
1 727 . 6 1 1 A 62 62 ASN H H 62 7.946 8.646 -0.700 1
1 728 . 6 1 1 A 62 62 ASN HA H 62 4.392 5.028 -0.636 1
1 733 . 6 1 1 A 62 62 ASN C C 62 173.776 174.752 -0.976 1
1 734 . 6 1 1 A 62 62 ASN CA C 62 54.269 54.935 -0.666 1
1 735 . 6 1 1 A 62 62 ASN CB C 62 38.597 41.124 -2.527 1
1 737 . 6 1 1 A 62 62 ASN N N 62 115.196 117.727 -2.531 1
1 739 . 6 1 1 A 63 63 VAL H H 63 7.278 7.834 -0.556 1
1 740 . 6 1 1 A 63 63 VAL HA H 63 4.628 4.732 -0.104 1
1 748 . 6 1 1 A 63 63 VAL CA C 63 62.601 58.099 4.502 1
1 749 . 6 1 1 A 63 63 VAL CB C 63 35.186 34.571 0.615 1
1 752 . 6 1 1 A 63 63 VAL N N 63 115.155 114.317 0.838 1
1 753 . 6 1 1 A 64 64 PRO HA H 64 4.516 4.586 -0.070 1
1 760 . 6 1 1 A 64 64 PRO C C 64 174.254 175.854 -1.600 1
1 761 . 6 1 1 A 64 64 PRO CA C 64 62.601 62.200 0.401 1
1 762 . 6 1 1 A 64 64 PRO CB C 64 31.977 32.337 -0.360 1
1 765 . 6 1 1 A 65 65 PHE H H 65 9.109 8.539 0.570 1
1 766 . 6 1 1 A 65 65 PHE HA H 65 4.821 5.087 -0.266 1
1 774 . 6 1 1 A 65 65 PHE C C 65 173.320 174.275 -0.955 1
1 775 . 6 1 1 A 65 65 PHE CA C 65 57.292 57.095 0.197 1
1 776 . 6 1 1 A 65 65 PHE CB C 65 42.894 42.078 0.816 1
1 777 . 6 1 1 A 65 65 PHE N N 65 123.469 122.618 0.851 1
1 778 . 6 1 1 A 66 66 LYS H H 66 7.474 8.231 -0.757 1
1 779 . 6 1 1 A 66 66 LYS HA H 66 5.378 5.302 0.076 1
1 788 . 6 1 1 A 66 66 LYS C C 66 175.026 174.394 0.632 1
1 789 . 6 1 1 A 66 66 LYS CA C 66 53.876 54.150 -0.274 1
1 790 . 6 1 1 A 66 66 LYS CB C 66 35.471 36.377 -0.906 1
1 794 . 6 1 1 A 66 66 LYS N N 66 125.548 122.670 2.878 1
1 795 . 6 1 1 A 67 67 PHE H H 67 8.114 8.348 -0.234 1
1 796 . 6 1 1 A 67 67 PHE HA H 67 4.469 5.040 -0.571 1
1 804 . 6 1 1 A 67 67 PHE C C 67 172.049 172.345 -0.296 1
1 805 . 6 1 1 A 67 67 PHE CA C 67 55.662 55.137 0.525 1
1 806 . 6 1 1 A 67 67 PHE CB C 67 40.087 41.683 -1.596 1
1 807 . 6 1 1 A 67 67 PHE N N 67 115.419 116.713 -1.294 1
1 808 . 6 1 1 A 68 68 HIS H H 68 8.983 8.809 0.174 1
1 809 . 6 1 1 A 68 68 HIS HA H 68 5.482 5.128 0.354 1
1 812 . 6 1 1 A 68 68 HIS C C 68 174.742 174.706 0.036 1
1 813 . 6 1 1 A 68 68 HIS CA C 68 55.348 54.238 1.110 1
1 814 . 6 1 1 A 68 68 HIS CB C 68 28.470 32.819 -4.349 1
1 815 . 6 1 1 A 68 68 HIS N N 68 118.421 115.923 2.498 1
1 816 . 6 1 1 A 69 69 LEU H H 69 8.317 8.836 -0.519 1
1 817 . 6 1 1 A 69 69 LEU HA H 69 4.016 4.183 -0.167 1
1 827 . 6 1 1 A 69 69 LEU CA C 69 56.060 56.407 -0.347 1
1 828 . 6 1 1 A 69 69 LEU CB C 69 42.903 41.735 1.168 1
1 832 . 6 1 1 A 69 69 LEU N N 69 126.736 125.787 0.949 1
1 833 . 6 1 1 A 70 70 GLU H H 70 9.618 9.271 0.347 1
1 834 . 6 1 1 A 70 70 GLU HA H 70 3.847 3.951 -0.104 1
1 839 . 6 1 1 A 70 70 GLU C C 70 174.818 176.917 -2.099 1
1 840 . 6 1 1 A 70 70 GLU CA C 70 58.625 57.270 1.355 1
1 841 . 6 1 1 A 70 70 GLU CB C 70 27.456 27.537 -0.081 1
1 843 . 6 1 1 A 70 70 GLU N N 70 124.954 122.318 2.636 1
1 844 . 6 1 1 A 71 71 GLN H H 71 8.248 7.962 0.286 1
1 845 . 6 1 1 A 71 71 GLN HA H 71 4.678 4.294 0.384 1
1 852 . 6 1 1 A 71 71 GLN CA C 71 54.218 55.407 -1.189 1
1 853 . 6 1 1 A 71 71 GLN CB C 71 30.422 28.103 2.319 1
1 856 . 6 1 1 A 71 71 GLN N N 71 114.858 118.298 -3.440 1
1 858 . 6 1 1 A 72 72 GLY H H 72 8.362 7.860 0.502 1
1 859 . 6 1 1 A 72 72 GLY HA2 H 72 4.145 4.025 0.120 1
1 860 . 6 1 1 A 72 72 GLY HA3 H 72 4.059 4.029 0.030 1
1 861 . 6 1 1 A 72 72 GLY C C 72 175.783 175.444 0.339 1
1 862 . 6 1 1 A 72 72 GLY CA C 72 46.838 45.305 1.533 1
1 863 . 6 1 1 A 72 72 GLY N N 72 110.404 108.616 1.788 1
1 864 . 6 1 1 A 73 73 GLU H H 73 9.085 8.123 0.962 1
1 865 . 6 1 1 A 73 73 GLU HA H 73 4.187 4.355 -0.168 1
1 870 . 6 1 1 A 73 73 GLU C C 73 175.522 176.159 -0.637 1
1 871 . 6 1 1 A 73 73 GLU CA C 73 57.443 56.556 0.887 1
1 872 . 6 1 1 A 73 73 GLU CB C 73 31.378 30.261 1.117 1
1 874 . 6 1 1 A 73 73 GLU N N 73 118.421 117.462 0.959 1
1 875 . 6 1 1 A 74 74 VAL H H 74 6.862 7.247 -0.385 1
1 876 . 6 1 1 A 74 74 VAL HA H 74 4.281 4.015 0.266 1
1 884 . 6 1 1 A 74 74 VAL C C 74 175.773 175.430 0.343 1
1 885 . 6 1 1 A 74 74 VAL CA C 74 57.468 60.620 -3.152 1
1 886 . 6 1 1 A 74 74 VAL CB C 74 36.344 33.371 2.973 1
1 889 . 6 1 1 A 74 74 VAL N N 74 108.919 114.294 -5.375 1
1 890 . 6 1 1 A 75 75 ILE H H 75 7.462 9.044 -1.582 1
1 891 . 6 1 1 A 75 75 ILE HA H 75 3.844 4.172 -0.328 1
1 901 . 6 1 1 A 75 75 ILE C C 75 177.618 177.082 0.536 1
1 902 . 6 1 1 A 75 75 ILE CA C 75 62.213 62.180 0.033 1
1 903 . 6 1 1 A 75 75 ILE CB C 75 37.337 38.018 -0.681 1
1 907 . 6 1 1 A 75 75 ILE N N 75 113.373 123.691 -10.318 1
1 908 . 6 1 1 A 76 76 LYS H H 76 9.047 8.143 0.904 1
1 909 . 6 1 1 A 76 76 LYS HA H 76 4.282 5.236 -0.954 1
1 918 . 6 1 1 A 76 76 LYS C C 76 180.009 178.193 1.816 1
1 919 . 6 1 1 A 76 76 LYS CA C 76 59.482 57.005 2.477 1
1 920 . 6 1 1 A 76 76 LYS CB C 76 32.740 34.844 -2.104 1
1 924 . 6 1 1 A 76 76 LYS N N 76 124.954 120.902 4.052 1
1 925 . 6 1 1 A 77 77 GLY H H 77 9.775 8.401 1.374 1
1 926 . 6 1 1 A 77 77 GLY HA2 H 77 3.786 3.368 0.418 1
1 927 . 6 1 1 A 77 77 GLY HA3 H 77 3.618 3.391 0.227 1
1 928 . 6 1 1 A 77 77 GLY C C 77 175.261 176.585 -1.324 1
1 929 . 6 1 1 A 77 77 GLY CA C 77 47.402 47.119 0.283 1
1 930 . 6 1 1 A 77 77 GLY N N 77 101.199 108.215 -7.016 1
1 931 . 6 1 1 A 78 78 TRP H H 78 7.817 8.095 -0.278 1
1 932 . 6 1 1 A 78 78 TRP HA H 78 4.017 4.796 -0.779 1
1 940 . 6 1 1 A 78 78 TRP C C 78 177.610 178.364 -0.754 1
1 941 . 6 1 1 A 78 78 TRP CA C 78 61.524 60.189 1.335 1
1 942 . 6 1 1 A 78 78 TRP CB C 78 28.655 30.039 -1.384 1
1 943 . 6 1 1 A 78 78 TRP N N 78 120.203 122.090 -1.887 1
1 944 . 6 1 1 A 79 79 ASP H H 79 6.967 8.443 -1.476 1
1 945 . 6 1 1 A 79 79 ASP HA H 79 4.738 4.454 0.284 1
1 948 . 6 1 1 A 79 79 ASP C C 79 179.125 178.690 0.435 1
1 949 . 6 1 1 A 79 79 ASP CA C 79 58.492 57.014 1.478 1
1 950 . 6 1 1 A 79 79 ASP CB C 79 41.181 40.310 0.871 1
1 951 . 6 1 1 A 79 79 ASP N N 79 121.688 119.958 1.730 1
1 952 . 6 1 1 A 80 80 ILE H H 80 8.173 7.708 0.465 1
1 953 . 6 1 1 A 80 80 ILE HA H 80 3.617 3.661 -0.044 1
1 963 . 6 1 1 A 80 80 ILE C C 80 177.849 178.053 -0.204 1
1 964 . 6 1 1 A 80 80 ILE CA C 80 64.758 64.936 -0.178 1
1 965 . 6 1 1 A 80 80 ILE CB C 80 39.198 37.504 1.694 1
1 969 . 6 1 1 A 80 80 ILE N N 80 118.125 120.629 -2.504 1
1 970 . 6 1 1 A 81 81 CYS H H 81 7.961 8.253 -0.292 1
1 971 . 6 1 1 A 81 81 CYS HA H 81 4.456 4.170 0.286 1
1 974 . 6 1 1 A 81 81 CYS C C 81 178.812 176.801 2.011 1
1 975 . 6 1 1 A 81 81 CYS CA C 81 63.059 62.402 0.657 1
1 976 . 6 1 1 A 81 81 CYS CB C 81 27.732 27.229 0.503 1
1 977 . 6 1 1 A 81 81 CYS N N 81 116.937 121.119 -4.182 1
1 978 . 6 1 1 A 82 82 VAL H H 82 9.434 8.515 0.919 1
1 979 . 6 1 1 A 82 82 VAL HA H 82 3.476 3.866 -0.390 1
1 987 . 6 1 1 A 82 82 VAL C C 82 176.456 177.847 -1.391 1
1 988 . 6 1 1 A 82 82 VAL CA C 82 66.977 65.177 1.800 1
1 989 . 6 1 1 A 82 82 VAL CB C 82 30.171 31.725 -1.554 1
1 992 . 6 1 1 A 82 82 VAL N N 82 121.688 118.942 2.746 1
1 993 . 6 1 1 A 83 83 SER H H 83 7.541 7.915 -0.374 1
1 994 . 6 1 1 A 83 83 SER HA H 83 3.964 4.408 -0.444 1
1 997 . 6 1 1 A 83 83 SER C C 83 173.661 175.217 -1.556 1
1 998 . 6 1 1 A 83 83 SER CA C 83 61.551 59.496 2.055 1
1 999 . 6 1 1 A 83 83 SER CB C 83 63.239 63.076 0.163 1
1 1000 . 6 1 1 A 83 83 SER N N 83 111.889 117.338 -5.449 1
1 1001 . 6 1 1 A 84 84 SER H H 84 7.471 8.201 -0.730 1
1 1002 . 6 1 1 A 84 84 SER HA H 84 4.530 4.609 -0.079 1
1 1005 . 6 1 1 A 84 84 SER C C 84 174.314 173.997 0.317 1
1 1006 . 6 1 1 A 84 84 SER CA C 84 58.440 57.149 1.291 1
1 1007 . 6 1 1 A 84 84 SER CB C 84 65.929 63.605 2.324 1
1 1008 . 6 1 1 A 84 84 SER N N 84 114.264 115.154 -0.890 1
1 1009 . 6 1 1 A 85 85 MET H H 85 7.441 7.175 0.266 1
1 1010 . 6 1 1 A 85 85 MET HA H 85 4.262 4.837 -0.575 1
1 1015 . 6 1 1 A 85 85 MET C C 85 172.768 174.904 -2.136 1
1 1016 . 6 1 1 A 85 85 MET CA C 85 56.502 54.312 2.190 1
1 1017 . 6 1 1 A 85 85 MET CB C 85 36.378 35.104 1.274 1
1 1019 . 6 1 1 A 85 85 MET N N 85 124.657 120.191 4.466 1
1 1020 . 6 1 1 A 86 86 ARG H H 86 7.045 8.625 -1.580 1
1 1021 . 6 1 1 A 86 86 ARG HA H 86 4.879 4.679 0.200 1
1 1028 . 6 1 1 A 86 86 ARG C C 86 177.468 175.892 1.576 1
1 1029 . 6 1 1 A 86 86 ARG CA C 86 53.395 54.008 -0.613 1
1 1030 . 6 1 1 A 86 86 ARG CB C 86 33.244 33.545 -0.301 1
1 1033 . 6 1 1 A 86 86 ARG N N 86 114.264 120.910 -6.646 1
1 1034 . 6 1 1 A 87 87 LYS H H 87 8.818 8.446 0.372 1
1 1035 . 6 1 1 A 87 87 LYS HA H 87 3.554 4.124 -0.570 1
1 1044 . 6 1 1 A 87 87 LYS C C 87 175.382 177.253 -1.871 1
1 1045 . 6 1 1 A 87 87 LYS CA C 87 60.175 58.122 2.053 1
1 1046 . 6 1 1 A 87 87 LYS CB C 87 33.195 32.354 0.841 1
1 1050 . 6 1 1 A 87 87 LYS N N 87 121.391 124.998 -3.607 1
1 1051 . 6 1 1 A 88 88 ASN H H 88 8.943 7.957 0.986 1
1 1052 . 6 1 1 A 88 88 ASN HA H 88 4.291 4.912 -0.621 1
1 1057 . 6 1 1 A 88 88 ASN C C 88 174.124 173.772 0.352 1
1 1058 . 6 1 1 A 88 88 ASN CA C 88 56.703 52.771 3.932 1
1 1059 . 6 1 1 A 88 88 ASN CB C 88 36.677 39.945 -3.268 1
1 1060 . 6 1 1 A 88 88 ASN N N 88 116.640 116.167 0.473 1
1 1062 . 6 1 1 A 89 89 GLU H H 89 8.677 7.369 1.308 1
1 1063 . 6 1 1 A 89 89 GLU HA H 89 4.358 5.093 -0.735 1
1 1068 . 6 1 1 A 89 89 GLU C C 89 174.903 174.432 0.471 1
1 1069 . 6 1 1 A 89 89 GLU CA C 89 56.190 54.760 1.430 1
1 1070 . 6 1 1 A 89 89 GLU CB C 89 33.096 33.333 -0.237 1
1 1072 . 6 1 1 A 89 89 GLU N N 89 122.876 120.816 2.060 1
1 1073 . 6 1 1 A 90 90 LYS H H 90 8.580 8.708 -0.128 1
1 1074 . 6 1 1 A 90 90 LYS HA H 90 5.542 5.009 0.533 1
1 1083 . 6 1 1 A 90 90 LYS C C 90 175.593 174.511 1.082 1
1 1084 . 6 1 1 A 90 90 LYS CA C 90 54.210 55.669 -1.459 1
1 1085 . 6 1 1 A 90 90 LYS CB C 90 36.189 35.981 0.208 1
1 1089 . 6 1 1 A 90 90 LYS N N 90 123.469 124.399 -0.930 1
1 1090 . 6 1 1 A 91 91 CYS H H 91 9.673 8.633 1.040 1
1 1091 . 6 1 1 A 91 91 CYS HA H 91 5.524 5.075 0.449 1
1 1094 . 6 1 1 A 91 91 CYS C C 91 170.527 173.195 -2.668 1
1 1095 . 6 1 1 A 91 91 CYS CA C 91 54.690 57.373 -2.683 1
1 1096 . 6 1 1 A 91 91 CYS CB C 91 32.542 32.562 -0.020 1
1 1097 . 6 1 1 A 91 91 CYS N N 91 122.579 123.794 -1.215 1
1 1098 . 6 1 1 A 92 92 LEU H H 92 8.984 8.843 0.141 1
1 1099 . 6 1 1 A 92 92 LEU HA H 92 5.458 4.955 0.503 1
1 1109 . 6 1 1 A 92 92 LEU C C 92 175.596 175.144 0.452 1
1 1110 . 6 1 1 A 92 92 LEU CA C 92 53.413 53.680 -0.267 1
1 1111 . 6 1 1 A 92 92 LEU CB C 92 44.972 42.943 2.029 1
1 1115 . 6 1 1 A 92 92 LEU N N 92 122.282 122.787 -0.505 1
1 1116 . 6 1 1 A 93 93 VAL H H 93 10.107 8.524 1.583 1
1 1117 . 6 1 1 A 93 93 VAL HA H 93 5.506 4.748 0.758 1
1 1125 . 6 1 1 A 93 93 VAL C C 93 171.051 174.020 -2.969 1
1 1126 . 6 1 1 A 93 93 VAL CA C 93 58.200 59.977 -1.777 1
1 1127 . 6 1 1 A 93 93 VAL CB C 93 35.276 33.902 1.374 1
1 1130 . 6 1 1 A 93 93 VAL N N 93 126.224 125.921 0.303 1
1 1131 . 6 1 1 A 94 94 ARG H H 94 8.949 8.846 0.103 1
1 1132 . 6 1 1 A 94 94 ARG HA H 94 5.133 4.844 0.289 1
1 1139 . 6 1 1 A 94 94 ARG C C 94 175.823 175.027 0.796 1
1 1140 . 6 1 1 A 94 94 ARG CA C 94 56.219 55.314 0.905 1
1 1141 . 6 1 1 A 94 94 ARG CB C 94 32.039 30.777 1.262 1
1 1144 . 6 1 1 A 94 94 ARG N N 94 130.596 127.430 3.166 1
1 1145 . 6 1 1 A 95 95 ILE H H 95 9.655 8.817 0.838 1
1 1146 . 6 1 1 A 95 95 ILE HA H 95 4.899 4.606 0.293 1
1 1156 . 6 1 1 A 95 95 ILE C C 95 175.215 175.395 -0.180 1
1 1157 . 6 1 1 A 95 95 ILE CA C 95 60.582 60.621 -0.039 1
1 1158 . 6 1 1 A 95 95 ILE CB C 95 37.359 37.462 -0.103 1
1 1162 . 6 1 1 A 95 95 ILE N N 95 129.905 126.532 3.373 1
1 1163 . 6 1 1 A 96 96 GLU H H 96 9.213 8.850 0.363 1
1 1164 . 6 1 1 A 96 96 GLU HA H 96 4.320 4.309 0.011 1
1 1169 . 6 1 1 A 96 96 GLU C C 96 177.897 177.578 0.319 1
1 1170 . 6 1 1 A 96 96 GLU CA C 96 57.568 55.349 2.219 1
1 1171 . 6 1 1 A 96 96 GLU CB C 96 29.676 30.781 -1.105 1
1 1173 . 6 1 1 A 96 96 GLU N N 96 126.439 128.597 -2.158 1
1 1174 . 6 1 1 A 97 97 SER H H 97 8.693 8.818 -0.125 1
1 1175 . 6 1 1 A 97 97 SER HA H 97 4.370 4.177 0.193 1
1 1178 . 6 1 1 A 97 97 SER C C 97 178.668 175.619 3.049 1
1 1179 . 6 1 1 A 97 97 SER CA C 97 62.800 61.805 0.995 1
1 1180 . 6 1 1 A 97 97 SER CB C 97 64.591 62.562 2.029 1
1 1181 . 6 1 1 A 97 97 SER N N 97 115.749 119.127 -3.378 1
1 1182 . 6 1 1 A 98 98 MET H H 98 8.937 8.236 0.701 1
1 1183 . 6 1 1 A 98 98 MET HA H 98 4.170 4.265 -0.095 1
1 1188 . 6 1 1 A 98 98 MET C C 98 179.250 176.476 2.774 1
1 1189 . 6 1 1 A 98 98 MET CA C 98 58.702 57.127 1.575 1
1 1190 . 6 1 1 A 98 98 MET CB C 98 31.047 32.410 -1.363 1
1 1192 . 6 1 1 A 98 98 MET N N 98 121.985 118.581 3.404 1
1 1193 . 6 1 1 A 99 99 TYR H H 99 7.927 7.628 0.299 1
1 1194 . 6 1 1 A 99 99 TYR HA H 99 4.435 4.478 -0.043 1
1 1201 . 6 1 1 A 99 99 TYR C C 99 173.125 175.806 -2.681 1
1 1202 . 6 1 1 A 99 99 TYR CA C 99 58.064 59.468 -1.404 1
1 1203 . 6 1 1 A 99 99 TYR CB C 99 39.570 38.699 0.871 1
1 1204 . 6 1 1 A 99 99 TYR N N 99 116.640 118.382 -1.742 1
1 1205 . 6 1 1 A 100 100 GLY H H 100 7.802 7.500 0.302 1
1 1206 . 6 1 1 A 100 100 GLY HA2 H 100 3.223 4.184 -0.961 1
1 1207 . 6 1 1 A 100 100 GLY HA3 H 100 4.309 4.218 0.091 1
1 1208 . 6 1 1 A 100 100 GLY C C 100 173.213 174.302 -1.089 1
1 1209 . 6 1 1 A 100 100 GLY CA C 100 45.062 44.134 0.928 1
1 1210 . 6 1 1 A 100 100 GLY N N 100 110.998 107.485 3.513 1
1 1211 . 6 1 1 A 101 101 TYR H H 101 9.407 8.730 0.677 1
1 1212 . 6 1 1 A 101 101 TYR HA H 101 4.443 4.774 -0.331 1
1 1219 . 6 1 1 A 101 101 TYR C C 101 176.014 176.968 -0.954 1
1 1220 . 6 1 1 A 101 101 TYR CA C 101 58.944 57.244 1.700 1
1 1221 . 6 1 1 A 101 101 TYR CB C 101 37.732 37.114 0.618 1
1 1222 . 6 1 1 A 101 101 TYR N N 101 126.439 118.157 8.282 1
1 1223 . 6 1 1 A 102 102 GLY H H 102 8.231 8.346 -0.115 1
1 1224 . 6 1 1 A 102 102 GLY HA2 H 102 4.001 3.887 0.114 1
1 1225 . 6 1 1 A 102 102 GLY HA3 H 102 3.715 3.920 -0.205 1
1 1226 . 6 1 1 A 102 102 GLY C C 102 175.685 175.207 0.478 1
1 1227 . 6 1 1 A 102 102 GLY CA C 102 46.447 46.879 -0.432 1
1 1228 . 6 1 1 A 102 102 GLY N N 102 107.138 109.383 -2.245 1
1 1229 . 6 1 1 A 103 103 ASP H H 103 8.983 8.120 0.863 1
1 1230 . 6 1 1 A 103 103 ASP HA H 103 4.277 4.459 -0.182 1
1 1233 . 6 1 1 A 103 103 ASP C C 103 176.677 178.918 -2.241 1
1 1234 . 6 1 1 A 103 103 ASP CA C 103 56.352 57.208 -0.856 1
1 1235 . 6 1 1 A 103 103 ASP CB C 103 40.640 41.350 -0.710 1
1 1236 . 6 1 1 A 103 103 ASP N N 103 124.954 121.786 3.168 1
1 1237 . 6 1 1 A 104 104 GLU H H 104 8.552 8.044 0.508 1
1 1238 . 6 1 1 A 104 104 GLU HA H 104 4.139 4.353 -0.214 1
1 1243 . 6 1 1 A 104 104 GLU C C 104 179.142 176.609 2.533 1
1 1244 . 6 1 1 A 104 104 GLU CA C 104 58.100 57.993 0.107 1
1 1245 . 6 1 1 A 104 104 GLU CB C 104 30.076 30.703 -0.627 1
1 1247 . 6 1 1 A 104 104 GLU N N 104 117.531 118.942 -1.411 1
1 1248 . 6 1 1 A 105 105 GLY H H 105 7.188 8.320 -1.132 1
1 1249 . 6 1 1 A 105 105 GLY HA2 H 105 3.137 3.995 -0.858 1
1 1250 . 6 1 1 A 105 105 GLY HA3 H 105 4.012 4.014 -0.002 1
1 1251 . 6 1 1 A 105 105 GLY C C 105 171.730 174.536 -2.806 1
1 1252 . 6 1 1 A 105 105 GLY CA C 105 44.214 45.080 -0.866 1
1 1253 . 6 1 1 A 105 105 GLY N N 105 104.168 107.719 -3.551 1
1 1254 . 6 1 1 A 106 106 CYS H H 106 9.026 7.893 1.133 1
1 1255 . 6 1 1 A 106 106 CYS HA H 106 4.253 4.544 -0.291 1
1 1258 . 6 1 1 A 106 106 CYS C C 106 173.438 174.936 -1.498 1
1 1259 . 6 1 1 A 106 106 CYS CA C 106 57.814 59.834 -2.020 1
1 1260 . 6 1 1 A 106 106 CYS CB C 106 26.162 28.185 -2.023 1
1 1261 . 6 1 1 A 106 106 CYS N N 106 121.949 120.055 1.894 1
1 1262 . 6 1 1 A 107 107 GLY H H 107 8.584 8.414 0.170 1
1 1263 . 6 1 1 A 107 107 GLY HA2 H 107 3.706 4.319 -0.613 1
1 1264 . 6 1 1 A 107 107 GLY HA3 H 107 3.954 4.327 -0.373 1
1 1265 . 6 1 1 A 107 107 GLY C C 107 173.461 174.246 -0.785 1
1 1266 . 6 1 1 A 107 107 GLY CA C 107 45.258 45.698 -0.440 1
1 1267 . 6 1 1 A 107 107 GLY N N 107 114.561 110.358 4.203 1
1 1268 . 6 1 1 A 108 108 GLU H H 108 8.503 9.346 -0.843 1
1 1269 . 6 1 1 A 108 108 GLU HA H 108 4.051 3.910 0.141 1
1 1274 . 6 1 1 A 108 108 GLU C C 108 178.118 178.563 -0.445 1
1 1275 . 6 1 1 A 108 108 GLU CA C 108 57.478 59.434 -1.956 1
1 1276 . 6 1 1 A 108 108 GLU CB C 108 29.835 29.803 0.032 1
1 1278 . 6 1 1 A 108 108 GLU N N 108 119.609 121.416 -1.807 1
1 1279 . 6 1 1 A 109 109 SER H H 109 8.082 7.935 0.147 1
1 1280 . 6 1 1 A 109 109 SER HA H 109 4.127 4.348 -0.221 1
1 1283 . 6 1 1 A 109 109 SER C C 109 173.569 174.779 -1.210 1
1 1284 . 6 1 1 A 109 109 SER CA C 109 60.141 60.547 -0.406 1
1 1285 . 6 1 1 A 109 109 SER CB C 109 63.935 63.349 0.586 1
1 1286 . 6 1 1 A 109 109 SER N N 109 112.186 114.104 -1.918 1
1 1287 . 6 1 1 A 110 110 ILE H H 110 6.570 7.781 -1.211 1
1 1288 . 6 1 1 A 110 110 ILE HA H 110 4.235 4.590 -0.355 1
1 1298 . 6 1 1 A 110 110 ILE CA C 110 58.031 57.859 0.172 1
1 1299 . 6 1 1 A 110 110 ILE CB C 110 39.086 38.893 0.193 1
1 1303 . 6 1 1 A 110 110 ILE N N 110 116.937 115.182 1.755 1
1 1304 . 6 1 1 A 111 111 PRO HA H 111 4.510 4.834 -0.324 1
1 1311 . 6 1 1 A 111 111 PRO C C 111 179.076 176.292 2.784 1
1 1312 . 6 1 1 A 111 111 PRO CA C 111 61.703 62.804 -1.101 1
1 1313 . 6 1 1 A 111 111 PRO CB C 111 32.729 32.938 -0.209 1
1 1316 . 6 1 1 A 112 112 GLY H H 112 9.018 8.363 0.655 1
1 1317 . 6 1 1 A 112 112 GLY HA2 H 112 3.461 4.147 -0.686 1
1 1318 . 6 1 1 A 112 112 GLY HA3 H 112 3.714 4.153 -0.439 1
1 1319 . 6 1 1 A 112 112 GLY C C 112 172.723 174.786 -2.063 1
1 1320 . 6 1 1 A 112 112 GLY CA C 112 46.262 44.396 1.866 1
1 1321 . 6 1 1 A 112 112 GLY N N 112 111.592 106.969 4.623 1
1 1322 . 6 1 1 A 113 113 ASN H H 113 8.381 8.644 -0.263 1
1 1323 . 6 1 1 A 113 113 ASN HA H 113 4.278 4.789 -0.511 1
1 1328 . 6 1 1 A 113 113 ASN C C 113 174.643 174.744 -0.101 1
1 1329 . 6 1 1 A 113 113 ASN CA C 113 54.388 53.127 1.261 1
1 1330 . 6 1 1 A 113 113 ASN CB C 113 37.204 38.893 -1.689 1
1 1331 . 6 1 1 A 113 113 ASN N N 113 116.937 124.727 -7.790 1
1 1333 . 6 1 1 A 114 114 SER H H 114 7.617 7.582 0.035 1
1 1334 . 6 1 1 A 114 114 SER HA H 114 4.517 4.781 -0.264 1
1 1337 . 6 1 1 A 114 114 SER C C 114 172.904 173.311 -0.407 1
1 1338 . 6 1 1 A 114 114 SER CA C 114 59.864 58.257 1.607 1
1 1339 . 6 1 1 A 114 114 SER CB C 114 64.678 64.632 0.046 1
1 1340 . 6 1 1 A 114 114 SER N N 114 113.077 117.663 -4.586 1
1 1341 . 6 1 1 A 115 115 VAL H H 115 8.500 8.595 -0.095 1
1 1342 . 6 1 1 A 115 115 VAL HA H 115 4.341 4.947 -0.606 1
1 1350 . 6 1 1 A 115 115 VAL C C 115 176.075 174.607 1.468 1
1 1351 . 6 1 1 A 115 115 VAL CA C 115 62.705 60.591 2.114 1
1 1352 . 6 1 1 A 115 115 VAL CB C 115 31.546 33.654 -2.108 1
1 1355 . 6 1 1 A 115 115 VAL N N 115 124.360 125.148 -0.788 1
1 1356 . 6 1 1 A 116 116 LEU H H 116 9.104 9.070 0.034 1
1 1357 . 6 1 1 A 116 116 LEU HA H 116 5.002 4.949 0.053 1
1 1367 . 6 1 1 A 116 116 LEU C C 116 174.923 175.717 -0.794 1
1 1368 . 6 1 1 A 116 116 LEU CA C 116 53.123 53.189 -0.066 1
1 1369 . 6 1 1 A 116 116 LEU CB C 116 45.379 45.647 -0.268 1
1 1373 . 6 1 1 A 116 116 LEU N N 116 128.814 128.195 0.619 1
1 1374 . 6 1 1 A 117 117 LEU H H 117 9.009 8.377 0.632 1
1 1375 . 6 1 1 A 117 117 LEU HA H 117 5.601 5.206 0.395 1
1 1385 . 6 1 1 A 117 117 LEU C C 117 176.574 175.302 1.272 1
1 1386 . 6 1 1 A 117 117 LEU CA C 117 52.750 53.512 -0.762 1
1 1387 . 6 1 1 A 117 117 LEU CB C 117 44.693 45.036 -0.343 1
1 1391 . 6 1 1 A 117 117 LEU N N 117 121.391 120.994 0.397 1
1 1392 . 6 1 1 A 118 118 PHE H H 118 9.375 8.890 0.485 1
1 1393 . 6 1 1 A 118 118 PHE HA H 118 6.155 5.101 1.054 1
1 1401 . 6 1 1 A 118 118 PHE C C 118 176.518 175.457 1.061 1
1 1402 . 6 1 1 A 118 118 PHE CA C 118 55.411 56.570 -1.159 1
1 1403 . 6 1 1 A 118 118 PHE CB C 118 42.385 42.065 0.320 1
1 1404 . 6 1 1 A 118 118 PHE N N 118 117.531 122.919 -5.388 1
1 1405 . 6 1 1 A 119 119 GLU H H 119 8.905 9.914 -1.009 1
1 1406 . 6 1 1 A 119 119 GLU HA H 119 5.604 4.741 0.863 1
1 1411 . 6 1 1 A 119 119 GLU C C 119 175.947 175.598 0.349 1
1 1412 . 6 1 1 A 119 119 GLU CA C 119 60.489 56.442 4.047 1
1 1413 . 6 1 1 A 119 119 GLU CB C 119 31.189 30.228 0.961 1
1 1415 . 6 1 1 A 119 119 GLU N N 119 122.876 123.530 -0.654 1
1 1416 . 6 1 1 A 120 120 ILE H H 120 8.912 8.605 0.307 1
1 1417 . 6 1 1 A 120 120 ILE HA H 120 4.965 5.476 -0.511 1
1 1427 . 6 1 1 A 120 120 ILE C C 120 173.341 175.107 -1.766 1
1 1428 . 6 1 1 A 120 120 ILE CA C 120 60.568 60.300 0.268 1
1 1429 . 6 1 1 A 120 120 ILE CB C 120 41.927 39.063 2.864 1
1 1433 . 6 1 1 A 120 120 ILE N N 120 123.000 126.439 -3.439 1
1 1434 . 6 1 1 A 121 121 GLU H H 121 9.074 8.974 0.100 1
1 1435 . 6 1 1 A 121 121 GLU HA H 121 5.445 4.914 0.531 1
1 1440 . 6 1 1 A 121 121 GLU C C 121 175.254 174.332 0.922 1
1 1441 . 6 1 1 A 121 121 GLU CA C 121 53.941 54.546 -0.605 1
1 1442 . 6 1 1 A 121 121 GLU CB C 121 33.897 33.099 0.798 1
1 1444 . 6 1 1 A 121 121 GLU N N 121 128.221 127.140 1.081 1
1 1445 . 6 1 1 A 122 122 LEU H H 122 8.112 8.825 -0.713 1
1 1446 . 6 1 1 A 122 122 LEU HA H 122 4.680 4.568 0.112 1
1 1456 . 6 1 1 A 122 122 LEU C C 122 174.472 177.025 -2.553 1
1 1457 . 6 1 1 A 122 122 LEU CA C 122 54.403 53.903 0.500 1
1 1458 . 6 1 1 A 122 122 LEU CB C 122 40.796 42.904 -2.108 1
1 1462 . 6 1 1 A 122 122 LEU N N 122 127.033 127.061 -0.028 1
1 1463 . 6 1 1 A 123 123 LEU H H 123 8.704 8.651 0.053 1
1 1464 . 6 1 1 A 123 123 LEU HA H 123 4.385 4.511 -0.126 1
1 1474 . 6 1 1 A 123 123 LEU C C 123 177.614 176.873 0.741 1
1 1475 . 6 1 1 A 123 123 LEU CA C 123 57.095 55.009 2.086 1
1 1476 . 6 1 1 A 123 123 LEU CB C 123 42.226 42.740 -0.514 1
1 1480 . 6 1 1 A 123 123 LEU N N 123 128.814 123.346 5.468 1
1 1481 . 6 1 1 A 124 124 SER H H 124 7.602 7.381 0.221 1
1 1482 . 6 1 1 A 124 124 SER HA H 124 4.161 5.168 -1.007 1
1 1485 . 6 1 1 A 124 124 SER C C 124 171.375 172.768 -1.393 1
1 1486 . 6 1 1 A 124 124 SER CA C 124 57.545 57.823 -0.278 1
1 1487 . 6 1 1 A 124 124 SER CB C 124 63.359 67.039 -3.680 1
1 1488 . 6 1 1 A 124 124 SER N N 124 105.653 114.480 -8.827 1
1 1489 . 6 1 1 A 125 125 PHE H H 125 7.818 8.964 -1.146 1
1 1490 . 6 1 1 A 125 125 PHE HA H 125 5.451 5.406 0.045 1
1 1498 . 6 1 1 A 125 125 PHE C C 125 173.154 173.228 -0.074 1
1 1499 . 6 1 1 A 125 125 PHE CA C 125 56.463 56.222 0.241 1
1 1500 . 6 1 1 A 125 125 PHE CB C 125 42.301 41.217 1.084 1
1 1501 . 6 1 1 A 125 125 PHE N N 125 113.373 119.773 -6.400 1
1 1502 . 6 1 1 A 126 126 ARG H H 126 8.934 8.798 0.136 1
1 1503 . 6 1 1 A 126 126 ARG HA H 126 4.693 4.600 0.093 1
1 1510 . 6 1 1 A 126 126 ARG C C 126 174.013 173.608 0.405 1
1 1511 . 6 1 1 A 126 126 ARG CA C 126 54.654 54.400 0.254 1
1 1512 . 6 1 1 A 126 126 ARG CB C 126 33.064 34.026 -0.962 1
1 1515 . 6 1 1 A 126 126 ARG N N 126 116.046 117.595 -1.549 1
1 1516 . 6 1 1 A 127 127 GLU H H 127 8.665 8.334 0.331 1
1 1517 . 6 1 1 A 127 127 GLU HA H 127 4.436 4.958 -0.522 1
1 1522 . 6 1 1 A 127 127 GLU C C 127 176.050 174.936 1.114 1
1 1523 . 6 1 1 A 127 127 GLU CA C 127 55.552 54.584 0.968 1
1 1524 . 6 1 1 A 127 127 GLU CB C 127 30.600 33.316 -2.716 1
1 1 . 7 1 1 A 2 2 THR HA H 2 4.479 4.615 -0.136 1
1 6 . 7 1 1 A 2 2 THR C C 2 174.348 174.766 -0.418 1
1 7 . 7 1 1 A 2 2 THR CA C 2 61.838 60.836 1.002 1
1 8 . 7 1 1 A 2 2 THR CB C 2 69.919 70.109 -0.190 1
1 10 . 7 1 1 A 3 3 THR H H 3 8.289 8.599 -0.310 1
1 11 . 7 1 1 A 3 3 THR HA H 3 4.282 4.473 -0.191 1
1 16 . 7 1 1 A 3 3 THR C C 3 174.404 174.301 0.103 1
1 17 . 7 1 1 A 3 3 THR CA C 3 62.140 61.096 1.044 1
1 18 . 7 1 1 A 3 3 THR CB C 3 69.658 70.399 -0.741 1
1 20 . 7 1 1 A 3 3 THR N N 3 116.640 113.926 2.714 1
1 21 . 7 1 1 A 4 4 GLU H H 4 8.567 8.810 -0.243 1
1 22 . 7 1 1 A 4 4 GLU HA H 4 4.156 4.021 0.135 1
1 27 . 7 1 1 A 4 4 GLU C C 4 176.216 175.380 0.836 1
1 28 . 7 1 1 A 4 4 GLU CA C 4 56.929 58.351 -1.422 1
1 29 . 7 1 1 A 4 4 GLU CB C 4 29.821 28.171 1.650 1
1 31 . 7 1 1 A 4 4 GLU N N 4 123.469 120.335 3.134 1
1 32 . 7 1 1 A 5 5 GLN H H 5 8.222 8.293 -0.071 1
1 33 . 7 1 1 A 5 5 GLN HA H 5 4.167 4.798 -0.631 1
1 40 . 7 1 1 A 5 5 GLN C C 5 175.216 174.796 0.420 1
1 41 . 7 1 1 A 5 5 GLN CA C 5 55.674 53.918 1.756 1
1 42 . 7 1 1 A 5 5 GLN CB C 5 29.553 32.214 -2.661 1
1 45 . 7 1 1 A 5 5 GLN N N 5 120.797 117.788 3.009 1
1 47 . 7 1 1 A 6 6 GLU H H 6 8.171 8.298 -0.127 1
1 48 . 7 1 1 A 6 6 GLU HA H 6 4.080 4.379 -0.299 1
1 53 . 7 1 1 A 6 6 GLU C C 6 175.870 174.885 0.985 1
1 54 . 7 1 1 A 6 6 GLU CA C 6 56.400 56.115 0.285 1
1 55 . 7 1 1 A 6 6 GLU CB C 6 30.335 29.711 0.624 1
1 57 . 7 1 1 A 6 6 GLU N N 6 122.100 121.402 0.698 1
1 58 . 7 1 1 A 7 7 PHE H H 7 8.051 7.614 0.437 1
1 59 . 7 1 1 A 7 7 PHE HA H 7 4.710 5.072 -0.362 1
1 67 . 7 1 1 A 7 7 PHE C C 7 175.461 174.967 0.494 1
1 68 . 7 1 1 A 7 7 PHE CA C 7 56.825 57.002 -0.177 1
1 69 . 7 1 1 A 7 7 PHE CB C 7 39.812 40.037 -0.225 1
1 70 . 7 1 1 A 7 7 PHE N N 7 120.500 120.260 0.240 1
1 71 . 7 1 1 A 8 8 GLU H H 8 8.626 8.703 -0.077 1
1 72 . 7 1 1 A 8 8 GLU HA H 8 4.193 4.601 -0.408 1
1 77 . 7 1 1 A 8 8 GLU C C 8 176.141 176.712 -0.571 1
1 78 . 7 1 1 A 8 8 GLU CA C 8 56.932 55.768 1.164 1
1 79 . 7 1 1 A 8 8 GLU CB C 8 30.794 30.790 0.004 1
1 81 . 7 1 1 A 8 8 GLU N N 8 123.469 125.398 -1.929 1
1 82 . 7 1 1 A 9 9 LYS H H 9 8.396 8.589 -0.193 1
1 83 . 7 1 1 A 9 9 LYS HA H 9 5.100 4.573 0.527 1
1 92 . 7 1 1 A 9 9 LYS C C 9 176.168 176.136 0.032 1
1 93 . 7 1 1 A 9 9 LYS CA C 9 55.428 56.183 -0.755 1
1 94 . 7 1 1 A 9 9 LYS CB C 9 34.214 33.503 0.711 1
1 98 . 7 1 1 A 9 9 LYS N N 9 124.954 124.690 0.264 1
1 99 . 7 1 1 A 10 10 VAL H H 10 9.445 8.670 0.775 1
1 100 . 7 1 1 A 10 10 VAL HA H 10 4.278 4.478 -0.200 1
1 108 . 7 1 1 A 10 10 VAL C C 10 174.967 175.022 -0.055 1
1 109 . 7 1 1 A 10 10 VAL CA C 10 60.951 61.447 -0.496 1
1 110 . 7 1 1 A 10 10 VAL CB C 10 34.681 32.288 2.393 1
1 113 . 7 1 1 A 10 10 VAL N N 10 124.360 121.691 2.669 1
1 114 . 7 1 1 A 11 11 GLU H H 11 9.021 8.842 0.179 1
1 115 . 7 1 1 A 11 11 GLU HA H 11 4.369 4.560 -0.191 1
1 120 . 7 1 1 A 11 11 GLU C C 11 174.797 176.342 -1.545 1
1 121 . 7 1 1 A 11 11 GLU CA C 11 56.728 56.149 0.579 1
1 122 . 7 1 1 A 11 11 GLU CB C 11 28.655 29.901 -1.246 1
1 124 . 7 1 1 A 11 11 GLU N N 11 127.924 126.793 1.131 1
1 125 . 7 1 1 A 12 12 LEU H H 12 8.396 8.689 -0.293 1
1 126 . 7 1 1 A 12 12 LEU HA H 12 4.311 3.807 0.504 1
1 136 . 7 1 1 A 12 12 LEU C C 12 176.600 175.484 1.116 1
1 137 . 7 1 1 A 12 12 LEU CA C 12 55.292 55.702 -0.410 1
1 138 . 7 1 1 A 12 12 LEU CB C 12 42.624 40.425 2.199 1
1 142 . 7 1 1 A 12 12 LEU N N 12 124.954 121.080 3.874 1
1 143 . 7 1 1 A 13 13 THR H H 13 7.328 7.515 -0.187 1
1 144 . 7 1 1 A 13 13 THR HA H 13 4.530 4.367 0.163 1
1 149 . 7 1 1 A 13 13 THR C C 13 175.180 175.909 -0.729 1
1 150 . 7 1 1 A 13 13 THR CA C 13 59.603 62.255 -2.652 1
1 151 . 7 1 1 A 13 13 THR CB C 13 70.742 69.262 1.480 1
1 153 . 7 1 1 A 13 13 THR N N 13 106.841 112.398 -5.557 1
1 154 . 7 1 1 A 14 14 ALA H H 14 8.689 8.897 -0.208 1
1 155 . 7 1 1 A 14 14 ALA HA H 14 4.247 4.101 0.146 1
1 159 . 7 1 1 A 14 14 ALA C C 14 177.522 178.034 -0.512 1
1 160 . 7 1 1 A 14 14 ALA CA C 14 53.875 53.747 0.128 1
1 161 . 7 1 1 A 14 14 ALA CB C 14 17.920 18.597 -0.677 1
1 162 . 7 1 1 A 14 14 ALA N N 14 123.733 129.072 -5.339 1
1 163 . 7 1 1 A 15 15 ASP H H 15 7.516 7.814 -0.298 1
1 164 . 7 1 1 A 15 15 ASP HA H 15 4.518 4.610 -0.092 1
1 167 . 7 1 1 A 15 15 ASP C C 15 177.402 176.275 1.127 1
1 168 . 7 1 1 A 15 15 ASP CA C 15 52.635 54.232 -1.597 1
1 169 . 7 1 1 A 15 15 ASP CB C 15 40.912 40.853 0.059 1
1 170 . 7 1 1 A 15 15 ASP N N 15 113.967 116.708 -2.741 1
1 171 . 7 1 1 A 16 16 GLY H H 16 7.986 7.440 0.546 1
1 172 . 7 1 1 A 16 16 GLY HA2 H 16 4.080 3.992 0.088 1
1 173 . 7 1 1 A 16 16 GLY HA3 H 16 3.529 4.004 -0.475 1
1 174 . 7 1 1 A 16 16 GLY C C 16 175.233 175.326 -0.093 1
1 175 . 7 1 1 A 16 16 GLY CA C 16 45.798 45.139 0.659 1
1 176 . 7 1 1 A 16 16 GLY N N 16 108.919 105.530 3.389 1
1 177 . 7 1 1 A 17 17 GLY H H 17 8.681 8.656 0.025 1
1 178 . 7 1 1 A 17 17 GLY HA2 H 17 4.513 3.908 0.605 1
1 179 . 7 1 1 A 17 17 GLY HA3 H 17 4.513 3.928 0.585 1
1 180 . 7 1 1 A 17 17 GLY C C 17 172.684 174.023 -1.339 1
1 181 . 7 1 1 A 17 17 GLY CA C 17 46.672 46.802 -0.130 1
1 182 . 7 1 1 A 17 17 GLY N N 17 108.663 106.784 1.879 1
1 183 . 7 1 1 A 18 18 VAL H H 18 6.903 7.418 -0.515 1
1 184 . 7 1 1 A 18 18 VAL HA H 18 4.855 4.038 0.817 1
1 192 . 7 1 1 A 18 18 VAL C C 18 174.737 174.410 0.327 1
1 193 . 7 1 1 A 18 18 VAL CA C 18 62.035 60.260 1.775 1
1 194 . 7 1 1 A 18 18 VAL CB C 18 33.315 35.379 -2.064 1
1 197 . 7 1 1 A 18 18 VAL N N 18 117.234 118.439 -1.205 1
1 198 . 7 1 1 A 19 19 ILE H H 19 8.243 8.313 -0.070 1
1 199 . 7 1 1 A 19 19 ILE HA H 19 4.665 4.502 0.163 1
1 209 . 7 1 1 A 19 19 ILE C C 19 174.360 175.603 -1.243 1
1 210 . 7 1 1 A 19 19 ILE CA C 19 60.736 60.613 0.123 1
1 211 . 7 1 1 A 19 19 ILE CB C 19 41.856 37.245 4.611 1
1 215 . 7 1 1 A 19 19 ILE N N 19 126.439 127.141 -0.702 1
1 216 . 7 1 1 A 20 20 LYS H H 20 9.345 8.648 0.697 1
1 217 . 7 1 1 A 20 20 LYS HA H 20 5.296 5.106 0.190 1
1 226 . 7 1 1 A 20 20 LYS C C 20 173.618 174.962 -1.344 1
1 227 . 7 1 1 A 20 20 LYS CA C 20 54.842 54.441 0.401 1
1 228 . 7 1 1 A 20 20 LYS CB C 20 36.261 36.130 0.131 1
1 232 . 7 1 1 A 20 20 LYS N N 20 129.408 124.687 4.721 1
1 233 . 7 1 1 A 21 21 THR H H 21 9.597 9.275 0.322 1
1 234 . 7 1 1 A 21 21 THR HA H 21 4.923 4.897 0.026 1
1 239 . 7 1 1 A 21 21 THR C C 21 174.648 173.571 1.077 1
1 240 . 7 1 1 A 21 21 THR CA C 21 61.703 61.800 -0.097 1
1 241 . 7 1 1 A 21 21 THR CB C 21 70.230 71.398 -1.168 1
1 243 . 7 1 1 A 21 21 THR N N 21 123.469 116.047 7.422 1
1 244 . 7 1 1 A 22 22 ILE H H 22 9.248 8.761 0.487 1
1 245 . 7 1 1 A 22 22 ILE HA H 22 3.637 4.056 -0.419 1
1 255 . 7 1 1 A 22 22 ILE C C 22 174.348 174.764 -0.416 1
1 256 . 7 1 1 A 22 22 ILE CA C 22 64.258 62.001 2.257 1
1 257 . 7 1 1 A 22 22 ILE CB C 22 37.551 38.354 -0.803 1
1 261 . 7 1 1 A 22 22 ILE N N 22 128.517 127.921 0.596 1
1 262 . 7 1 1 A 23 23 LEU H H 23 8.498 8.358 0.140 1
1 263 . 7 1 1 A 23 23 LEU HA H 23 4.180 4.250 -0.070 1
1 273 . 7 1 1 A 23 23 LEU C C 23 177.521 176.833 0.688 1
1 274 . 7 1 1 A 23 23 LEU CA C 23 55.460 55.376 0.084 1
1 275 . 7 1 1 A 23 23 LEU CB C 23 42.239 43.914 -1.675 1
1 279 . 7 1 1 A 23 23 LEU N N 23 128.517 127.712 0.805 1
1 280 . 7 1 1 A 24 24 LYS H H 24 8.020 7.634 0.386 1
1 281 . 7 1 1 A 24 24 LYS HA H 24 4.392 4.747 -0.355 1
1 290 . 7 1 1 A 24 24 LYS C C 24 174.465 174.161 0.304 1
1 291 . 7 1 1 A 24 24 LYS CA C 24 55.848 55.596 0.252 1
1 292 . 7 1 1 A 24 24 LYS CB C 24 35.692 35.557 0.135 1
1 296 . 7 1 1 A 24 24 LYS N N 24 120.797 119.177 1.620 1
1 297 . 7 1 1 A 25 25 LYS H H 25 8.657 8.842 -0.185 1
1 298 . 7 1 1 A 25 25 LYS HA H 25 4.178 4.923 -0.745 1
1 307 . 7 1 1 A 25 25 LYS C C 25 177.616 176.190 1.426 1
1 308 . 7 1 1 A 25 25 LYS CA C 25 57.218 54.540 2.678 1
1 309 . 7 1 1 A 25 25 LYS CB C 25 32.846 34.771 -1.925 1
1 313 . 7 1 1 A 25 25 LYS N N 25 126.439 126.909 -0.470 1
1 314 . 7 1 1 A 26 26 GLY H H 26 9.728 9.052 0.676 1
1 315 . 7 1 1 A 26 26 GLY HA2 H 26 3.408 4.243 -0.835 1
1 316 . 7 1 1 A 26 26 GLY HA3 H 26 4.120 4.253 -0.133 1
1 317 . 7 1 1 A 26 26 GLY C C 26 173.278 174.086 -0.808 1
1 318 . 7 1 1 A 26 26 GLY CA C 26 43.709 44.246 -0.537 1
1 319 . 7 1 1 A 26 26 GLY N N 26 110.404 107.960 2.444 1
1 320 . 7 1 1 A 27 27 ASP H H 27 8.550 8.534 0.016 1
1 321 . 7 1 1 A 27 27 ASP HA H 27 4.401 4.703 -0.302 1
1 324 . 7 1 1 A 27 27 ASP C C 27 175.993 175.851 0.142 1
1 325 . 7 1 1 A 27 27 ASP CA C 27 55.105 54.535 0.570 1
1 326 . 7 1 1 A 27 27 ASP CB C 27 41.688 41.649 0.039 1
1 327 . 7 1 1 A 27 27 ASP N N 27 121.391 119.117 2.274 1
1 328 . 7 1 1 A 28 28 GLU H H 28 8.419 8.118 0.301 1
1 329 . 7 1 1 A 28 28 GLU HA H 28 4.063 4.621 -0.558 1
1 334 . 7 1 1 A 28 28 GLU C C 28 176.146 175.906 0.240 1
1 335 . 7 1 1 A 28 28 GLU CA C 28 57.076 55.591 1.485 1
1 336 . 7 1 1 A 28 28 GLU CB C 28 30.774 31.090 -0.316 1
1 338 . 7 1 1 A 28 28 GLU N N 28 120.203 115.713 4.490 1
1 339 . 7 1 1 A 29 29 GLY H H 29 8.364 8.413 -0.049 1
1 340 . 7 1 1 A 29 29 GLY HA2 H 29 4.758 4.171 0.587 1
1 341 . 7 1 1 A 29 29 GLY HA3 H 29 4.584 4.177 0.407 1
1 342 . 7 1 1 A 29 29 GLY C C 29 175.976 174.690 1.286 1
1 343 . 7 1 1 A 29 29 GLY CA C 29 44.686 45.525 -0.839 1
1 344 . 7 1 1 A 29 29 GLY N N 29 110.404 108.417 1.987 1
1 345 . 7 1 1 A 30 30 GLU H H 30 8.867 8.488 0.379 1
1 346 . 7 1 1 A 30 30 GLU HA H 30 3.749 3.941 -0.192 1
1 351 . 7 1 1 A 30 30 GLU C C 30 177.872 177.615 0.257 1
1 352 . 7 1 1 A 30 30 GLU CA C 30 59.045 59.086 -0.041 1
1 353 . 7 1 1 A 30 30 GLU CB C 30 29.030 29.522 -0.492 1
1 355 . 7 1 1 A 30 30 GLU N N 30 125.251 122.377 2.874 1
1 356 . 7 1 1 A 31 31 GLU H H 31 9.842 7.793 2.049 1
1 357 . 7 1 1 A 31 31 GLU HA H 31 4.312 4.541 -0.229 1
1 362 . 7 1 1 A 31 31 GLU C C 31 176.330 175.567 0.763 1
1 363 . 7 1 1 A 31 31 GLU CA C 31 57.437 55.906 1.531 1
1 364 . 7 1 1 A 31 31 GLU CB C 31 28.040 30.001 -1.961 1
1 366 . 7 1 1 A 31 31 GLU N N 31 118.421 116.613 1.808 1
1 367 . 7 1 1 A 32 32 ASN H H 32 7.731 7.792 -0.061 1
1 368 . 7 1 1 A 32 32 ASN HA H 32 5.127 5.460 -0.333 1
1 373 . 7 1 1 A 32 32 ASN C C 32 172.750 173.975 -1.225 1
1 374 . 7 1 1 A 32 32 ASN CA C 32 54.111 52.392 1.719 1
1 375 . 7 1 1 A 32 32 ASN CB C 32 40.161 39.527 0.634 1
1 376 . 7 1 1 A 32 32 ASN N N 32 116.937 118.120 -1.183 1
1 378 . 7 1 1 A 33 33 ILE H H 33 7.105 8.952 -1.847 1
1 379 . 7 1 1 A 33 33 ILE HA H 33 4.793 4.571 0.222 1
1 389 . 7 1 1 A 33 33 ILE CA C 33 57.895 58.014 -0.119 1
1 390 . 7 1 1 A 33 33 ILE CB C 33 40.609 40.984 -0.375 1
1 394 . 7 1 1 A 33 33 ILE N N 33 121.985 125.209 -3.224 1
1 395 . 7 1 1 A 34 34 PRO HA H 34 4.065 4.767 -0.702 1
1 402 . 7 1 1 A 34 34 PRO C C 34 173.754 176.015 -2.261 1
1 403 . 7 1 1 A 34 34 PRO CA C 34 61.962 62.303 -0.341 1
1 404 . 7 1 1 A 34 34 PRO CB C 34 31.877 29.630 2.247 1
1 407 . 7 1 1 A 35 35 LYS H H 35 7.101 8.235 -1.134 1
1 408 . 7 1 1 A 35 35 LYS HA H 35 4.377 4.774 -0.397 1
1 417 . 7 1 1 A 35 35 LYS C C 35 175.712 175.921 -0.209 1
1 418 . 7 1 1 A 35 35 LYS CA C 35 53.404 54.855 -1.451 1
1 419 . 7 1 1 A 35 35 LYS CB C 35 35.229 34.078 1.151 1
1 423 . 7 1 1 A 35 35 LYS N N 35 116.046 122.799 -6.753 1
1 424 . 7 1 1 A 36 36 LYS H H 36 8.144 8.616 -0.472 1
1 425 . 7 1 1 A 36 36 LYS HA H 36 3.515 3.987 -0.472 1
1 434 . 7 1 1 A 36 36 LYS C C 36 176.774 177.340 -0.566 1
1 435 . 7 1 1 A 36 36 LYS CA C 36 58.608 58.021 0.587 1
1 436 . 7 1 1 A 36 36 LYS CB C 36 32.089 32.254 -0.165 1
1 440 . 7 1 1 A 36 36 LYS N N 36 120.797 122.698 -1.901 1
1 441 . 7 1 1 A 37 37 GLY H H 37 9.113 8.949 0.164 1
1 442 . 7 1 1 A 37 37 GLY HA2 H 37 3.494 3.981 -0.487 1
1 443 . 7 1 1 A 37 37 GLY HA3 H 37 4.330 3.985 0.345 1
1 444 . 7 1 1 A 37 37 GLY C C 37 175.329 174.225 1.104 1
1 445 . 7 1 1 A 37 37 GLY CA C 37 44.853 45.034 -0.181 1
1 446 . 7 1 1 A 37 37 GLY N N 37 113.967 115.034 -1.067 1
1 447 . 7 1 1 A 38 38 ASN H H 38 8.447 7.979 0.468 1
1 448 . 7 1 1 A 38 38 ASN HA H 38 4.663 5.132 -0.469 1
1 453 . 7 1 1 A 38 38 ASN C C 38 174.878 174.687 0.191 1
1 454 . 7 1 1 A 38 38 ASN CA C 38 53.557 52.111 1.446 1
1 455 . 7 1 1 A 38 38 ASN CB C 38 39.155 40.601 -1.446 1
1 457 . 7 1 1 A 38 38 ASN N N 38 117.828 118.580 -0.752 1
1 459 . 7 1 1 A 39 39 GLU H H 39 8.331 8.449 -0.118 1
1 460 . 7 1 1 A 39 39 GLU HA H 39 4.254 4.411 -0.157 1
1 465 . 7 1 1 A 39 39 GLU C C 39 175.656 176.359 -0.703 1
1 466 . 7 1 1 A 39 39 GLU CA C 39 55.804 56.059 -0.255 1
1 467 . 7 1 1 A 39 39 GLU CB C 39 31.464 29.406 2.058 1
1 469 . 7 1 1 A 39 39 GLU N N 39 121.094 121.705 -0.611 1
1 470 . 7 1 1 A 40 40 VAL H H 40 9.138 8.314 0.824 1
1 471 . 7 1 1 A 40 40 VAL HA H 40 4.699 4.929 -0.230 1
1 479 . 7 1 1 A 40 40 VAL C C 40 173.240 174.903 -1.663 1
1 480 . 7 1 1 A 40 40 VAL CA C 40 59.559 61.024 -1.465 1
1 481 . 7 1 1 A 40 40 VAL CB C 40 32.896 33.375 -0.479 1
1 484 . 7 1 1 A 40 40 VAL N N 40 125.845 119.827 6.018 1
1 485 . 7 1 1 A 41 41 THR H H 41 8.328 9.006 -0.678 1
1 486 . 7 1 1 A 41 41 THR HA H 41 4.982 4.868 0.114 1
1 491 . 7 1 1 A 41 41 THR C C 41 174.455 173.850 0.605 1
1 492 . 7 1 1 A 41 41 THR CA C 41 61.964 62.042 -0.078 1
1 493 . 7 1 1 A 41 41 THR CB C 41 69.623 69.662 -0.039 1
1 495 . 7 1 1 A 41 41 THR N N 41 117.531 119.393 -1.862 1
1 496 . 7 1 1 A 42 42 VAL H H 42 9.581 8.315 1.266 1
1 497 . 7 1 1 A 42 42 VAL HA H 42 5.669 5.127 0.542 1
1 505 . 7 1 1 A 42 42 VAL C C 42 174.919 174.164 0.755 1
1 506 . 7 1 1 A 42 42 VAL CA C 42 57.930 58.173 -0.243 1
1 507 . 7 1 1 A 42 42 VAL CB C 42 35.321 35.433 -0.112 1
1 510 . 7 1 1 A 42 42 VAL N N 42 117.828 119.382 -1.554 1
1 511 . 7 1 1 A 43 43 HIS H H 43 8.333 8.487 -0.154 1
1 512 . 7 1 1 A 43 43 HIS HA H 43 5.407 5.467 -0.060 1
1 515 . 7 1 1 A 43 43 HIS C C 43 176.136 174.082 2.054 1
1 516 . 7 1 1 A 43 43 HIS CA C 43 54.147 54.388 -0.241 1
1 517 . 7 1 1 A 43 43 HIS CB C 43 35.339 33.278 2.061 1
1 518 . 7 1 1 A 43 43 HIS N N 43 119.906 119.782 0.124 1
1 519 . 7 1 1 A 44 44 TYR H H 44 9.622 8.647 0.975 1
1 520 . 7 1 1 A 44 44 TYR HA H 44 6.247 6.087 0.160 1
1 527 . 7 1 1 A 44 44 TYR C C 44 172.857 173.736 -0.879 1
1 528 . 7 1 1 A 44 44 TYR CA C 44 56.304 55.667 0.637 1
1 529 . 7 1 1 A 44 44 TYR CB C 44 43.537 43.070 0.467 1
1 530 . 7 1 1 A 44 44 TYR N N 44 117.234 118.609 -1.375 1
1 531 . 7 1 1 A 45 45 VAL H H 45 8.735 8.549 0.186 1
1 532 . 7 1 1 A 45 45 VAL HA H 45 4.520 4.857 -0.337 1
1 540 . 7 1 1 A 45 45 VAL C C 45 175.200 174.821 0.379 1
1 541 . 7 1 1 A 45 45 VAL CA C 45 62.212 60.364 1.848 1
1 542 . 7 1 1 A 45 45 VAL CB C 45 35.550 35.328 0.222 1
1 545 . 7 1 1 A 45 45 VAL N N 45 118.125 119.280 -1.155 1
1 546 . 7 1 1 A 46 46 GLY H H 46 9.126 8.323 0.803 1
1 547 . 7 1 1 A 46 46 GLY HA2 H 46 4.539 4.165 0.374 1
1 548 . 7 1 1 A 46 46 GLY HA3 H 46 4.506 4.225 0.281 1
1 549 . 7 1 1 A 46 46 GLY C C 46 170.771 171.347 -0.576 1
1 550 . 7 1 1 A 46 46 GLY CA C 46 45.601 45.791 -0.190 1
1 551 . 7 1 1 A 46 46 GLY N N 46 114.858 111.250 3.608 1
1 552 . 7 1 1 A 47 47 LYS H H 47 9.121 8.302 0.819 1
1 553 . 7 1 1 A 47 47 LYS HA H 47 5.176 4.111 1.065 1
1 562 . 7 1 1 A 47 47 LYS C C 47 175.830 173.809 2.021 1
1 563 . 7 1 1 A 47 47 LYS CA C 47 53.937 54.268 -0.331 1
1 564 . 7 1 1 A 47 47 LYS CB C 47 37.021 35.565 1.456 1
1 568 . 7 1 1 A 47 47 LYS N N 47 123.469 118.714 4.755 1
1 569 . 7 1 1 A 48 48 LEU H H 48 8.016 8.811 -0.795 1
1 570 . 7 1 1 A 48 48 LEU HA H 48 4.692 4.546 0.146 1
1 580 . 7 1 1 A 48 48 LEU C C 48 178.031 176.602 1.429 1
1 581 . 7 1 1 A 48 48 LEU CA C 48 54.231 54.239 -0.008 1
1 582 . 7 1 1 A 48 48 LEU CB C 48 41.678 42.192 -0.514 1
1 586 . 7 1 1 A 48 48 LEU N N 48 121.391 122.730 -1.339 1
1 587 . 7 1 1 A 49 49 GLU H H 49 8.085 8.678 -0.593 1
1 588 . 7 1 1 A 49 49 GLU HA H 49 3.835 3.854 -0.019 1
1 593 . 7 1 1 A 49 49 GLU C C 49 178.118 177.703 0.415 1
1 594 . 7 1 1 A 49 49 GLU CA C 49 59.974 59.492 0.482 1
1 595 . 7 1 1 A 49 49 GLU CB C 49 30.322 29.116 1.206 1
1 597 . 7 1 1 A 49 49 GLU N N 49 124.954 127.618 -2.664 1
1 598 . 7 1 1 A 50 50 SER H H 50 9.220 7.812 1.408 1
1 599 . 7 1 1 A 50 50 SER HA H 50 4.154 4.169 -0.015 1
1 602 . 7 1 1 A 50 50 SER C C 50 176.751 175.984 0.767 1
1 603 . 7 1 1 A 50 50 SER CA C 50 60.230 61.291 -1.061 1
1 604 . 7 1 1 A 50 50 SER CB C 50 62.229 63.126 -0.897 1
1 605 . 7 1 1 A 50 50 SER N N 50 112.186 114.851 -2.665 1
1 606 . 7 1 1 A 51 51 THR H H 51 6.784 7.671 -0.887 1
1 607 . 7 1 1 A 51 51 THR HA H 51 4.520 4.506 0.014 1
1 612 . 7 1 1 A 51 51 THR C C 51 176.342 175.471 0.871 1
1 613 . 7 1 1 A 51 51 THR CA C 51 60.760 62.813 -2.053 1
1 614 . 7 1 1 A 51 51 THR CB C 51 71.046 71.394 -0.348 1
1 616 . 7 1 1 A 51 51 THR N N 51 105.653 112.777 -7.124 1
1 617 . 7 1 1 A 52 52 GLY H H 52 8.296 8.509 -0.213 1
1 618 . 7 1 1 A 52 52 GLY HA2 H 52 3.680 3.928 -0.248 1
1 619 . 7 1 1 A 52 52 GLY HA3 H 52 4.096 3.937 0.159 1
1 620 . 7 1 1 A 52 52 GLY C C 52 173.336 174.265 -0.929 1
1 621 . 7 1 1 A 52 52 GLY CA C 52 45.711 45.588 0.123 1
1 622 . 7 1 1 A 52 52 GLY N N 52 112.483 111.358 1.125 1
1 623 . 7 1 1 A 53 53 LYS H H 53 7.479 7.703 -0.224 1
1 624 . 7 1 1 A 53 53 LYS HA H 53 4.218 4.407 -0.189 1
1 633 . 7 1 1 A 53 53 LYS C C 53 176.513 175.623 0.890 1
1 634 . 7 1 1 A 53 53 LYS CA C 53 56.217 55.741 0.476 1
1 635 . 7 1 1 A 53 53 LYS CB C 53 33.430 32.865 0.565 1
1 639 . 7 1 1 A 53 53 LYS N N 53 119.609 119.978 -0.369 1
1 640 . 7 1 1 A 54 54 VAL H H 54 8.511 8.298 0.213 1
1 641 . 7 1 1 A 54 54 VAL HA H 54 4.244 4.138 0.106 1
1 649 . 7 1 1 A 54 54 VAL C C 54 176.879 176.130 0.749 1
1 650 . 7 1 1 A 54 54 VAL CA C 54 62.409 62.159 0.250 1
1 651 . 7 1 1 A 54 54 VAL CB C 54 32.697 32.689 0.008 1
1 654 . 7 1 1 A 54 54 VAL N N 54 126.109 124.567 1.542 1
1 655 . 7 1 1 A 55 55 PHE H H 55 8.325 8.684 -0.359 1
1 656 . 7 1 1 A 55 55 PHE HA H 55 5.036 4.782 0.254 1
1 664 . 7 1 1 A 55 55 PHE C C 55 174.856 174.536 0.320 1
1 665 . 7 1 1 A 55 55 PHE CA C 55 55.758 58.475 -2.717 1
1 666 . 7 1 1 A 55 55 PHE CB C 55 40.399 39.055 1.344 1
1 667 . 7 1 1 A 55 55 PHE N N 55 124.063 126.018 -1.955 1
1 668 . 7 1 1 A 56 56 ASP H H 56 6.884 9.108 -2.224 1
1 669 . 7 1 1 A 56 56 ASP HA H 56 4.801 5.081 -0.280 1
1 672 . 7 1 1 A 56 56 ASP C C 56 173.688 174.633 -0.945 1
1 673 . 7 1 1 A 56 56 ASP CA C 56 54.956 52.978 1.978 1
1 674 . 7 1 1 A 56 56 ASP CB C 56 43.616 41.806 1.810 1
1 675 . 7 1 1 A 56 56 ASP N N 56 120.500 125.862 -5.362 1
1 676 . 7 1 1 A 57 57 SER H H 57 8.038 9.109 -1.071 1
1 677 . 7 1 1 A 57 57 SER HA H 57 4.796 4.866 -0.070 1
1 680 . 7 1 1 A 57 57 SER C C 57 174.997 174.398 0.599 1
1 681 . 7 1 1 A 57 57 SER CA C 57 55.792 57.090 -1.298 1
1 682 . 7 1 1 A 57 57 SER CB C 57 64.961 66.427 -1.466 1
1 683 . 7 1 1 A 57 57 SER N N 57 118.421 121.681 -3.260 1
1 684 . 7 1 1 A 58 58 SER H H 58 8.429 8.905 -0.476 1
1 685 . 7 1 1 A 58 58 SER HA H 58 4.080 4.029 0.051 1
1 688 . 7 1 1 A 58 58 SER C C 58 177.399 175.571 1.828 1
1 689 . 7 1 1 A 58 58 SER CA C 58 61.499 62.284 -0.785 1
1 690 . 7 1 1 A 58 58 SER CB C 58 65.069 63.014 2.055 1
1 691 . 7 1 1 A 58 58 SER N N 58 123.766 117.106 6.660 1
1 692 . 7 1 1 A 59 59 PHE H H 59 7.276 7.701 -0.425 1
1 693 . 7 1 1 A 59 59 PHE HA H 59 3.851 4.455 -0.604 1
1 701 . 7 1 1 A 59 59 PHE C C 59 178.929 178.096 0.833 1
1 702 . 7 1 1 A 59 59 PHE CA C 59 61.010 59.935 1.075 1
1 703 . 7 1 1 A 59 59 PHE CB C 59 38.129 40.085 -1.956 1
1 704 . 7 1 1 A 59 59 PHE N N 59 121.845 118.851 2.994 1
1 705 . 7 1 1 A 60 60 ASP H H 60 7.534 8.753 -1.219 1
1 706 . 7 1 1 A 60 60 ASP HA H 60 4.343 4.353 -0.010 1
1 709 . 7 1 1 A 60 60 ASP C C 60 177.295 177.728 -0.433 1
1 710 . 7 1 1 A 60 60 ASP CA C 60 56.921 56.863 0.058 1
1 711 . 7 1 1 A 60 60 ASP CB C 60 40.298 40.028 0.270 1
1 712 . 7 1 1 A 60 60 ASP N N 60 119.015 119.478 -0.463 1
1 713 . 7 1 1 A 61 61 ARG H H 61 7.224 8.093 -0.869 1
1 714 . 7 1 1 A 61 61 ARG HA H 61 4.378 4.235 0.143 1
1 721 . 7 1 1 A 61 61 ARG C C 61 175.798 177.367 -1.569 1
1 722 . 7 1 1 A 61 61 ARG CA C 61 55.209 57.249 -2.040 1
1 723 . 7 1 1 A 61 61 ARG CB C 61 32.610 30.093 2.517 1
1 726 . 7 1 1 A 61 61 ARG N N 61 115.452 118.153 -2.701 1
1 727 . 7 1 1 A 62 62 ASN H H 62 7.946 8.521 -0.575 1
1 728 . 7 1 1 A 62 62 ASN HA H 62 4.392 4.898 -0.506 1
1 733 . 7 1 1 A 62 62 ASN C C 62 173.776 174.836 -1.060 1
1 734 . 7 1 1 A 62 62 ASN CA C 62 54.269 54.814 -0.545 1
1 735 . 7 1 1 A 62 62 ASN CB C 62 38.597 40.493 -1.896 1
1 737 . 7 1 1 A 62 62 ASN N N 62 115.196 117.616 -2.420 1
1 739 . 7 1 1 A 63 63 VAL H H 63 7.278 8.018 -0.740 1
1 740 . 7 1 1 A 63 63 VAL HA H 63 4.628 4.524 0.104 1
1 748 . 7 1 1 A 63 63 VAL CA C 63 62.601 58.569 4.032 1
1 749 . 7 1 1 A 63 63 VAL CB C 63 35.186 34.937 0.249 1
1 752 . 7 1 1 A 63 63 VAL N N 63 115.155 116.773 -1.618 1
1 753 . 7 1 1 A 64 64 PRO HA H 64 4.516 4.611 -0.095 1
1 760 . 7 1 1 A 64 64 PRO C C 64 174.254 176.156 -1.902 1
1 761 . 7 1 1 A 64 64 PRO CA C 64 62.601 62.371 0.230 1
1 762 . 7 1 1 A 64 64 PRO CB C 64 31.977 32.043 -0.066 1
1 765 . 7 1 1 A 65 65 PHE H H 65 9.109 8.482 0.627 1
1 766 . 7 1 1 A 65 65 PHE HA H 65 4.821 4.982 -0.161 1
1 774 . 7 1 1 A 65 65 PHE C C 65 173.320 174.881 -1.561 1
1 775 . 7 1 1 A 65 65 PHE CA C 65 57.292 58.044 -0.752 1
1 776 . 7 1 1 A 65 65 PHE CB C 65 42.894 41.210 1.684 1
1 777 . 7 1 1 A 65 65 PHE N N 65 123.469 122.975 0.494 1
1 778 . 7 1 1 A 66 66 LYS H H 66 7.474 8.229 -0.755 1
1 779 . 7 1 1 A 66 66 LYS HA H 66 5.378 5.264 0.114 1
1 788 . 7 1 1 A 66 66 LYS C C 66 175.026 174.678 0.348 1
1 789 . 7 1 1 A 66 66 LYS CA C 66 53.876 53.856 0.020 1
1 790 . 7 1 1 A 66 66 LYS CB C 66 35.471 36.553 -1.082 1
1 794 . 7 1 1 A 66 66 LYS N N 66 125.548 121.987 3.561 1
1 795 . 7 1 1 A 67 67 PHE H H 67 8.114 8.142 -0.028 1
1 796 . 7 1 1 A 67 67 PHE HA H 67 4.469 4.922 -0.453 1
1 804 . 7 1 1 A 67 67 PHE C C 67 172.049 172.035 0.014 1
1 805 . 7 1 1 A 67 67 PHE CA C 67 55.662 55.759 -0.097 1
1 806 . 7 1 1 A 67 67 PHE CB C 67 40.087 41.087 -1.000 1
1 807 . 7 1 1 A 67 67 PHE N N 67 115.419 116.171 -0.752 1
1 808 . 7 1 1 A 68 68 HIS H H 68 8.983 8.762 0.221 1
1 809 . 7 1 1 A 68 68 HIS HA H 68 5.482 5.319 0.163 1
1 812 . 7 1 1 A 68 68 HIS C C 68 174.742 174.551 0.191 1
1 813 . 7 1 1 A 68 68 HIS CA C 68 55.348 54.091 1.257 1
1 814 . 7 1 1 A 68 68 HIS CB C 68 28.470 32.745 -4.275 1
1 815 . 7 1 1 A 68 68 HIS N N 68 118.421 116.861 1.560 1
1 816 . 7 1 1 A 69 69 LEU H H 69 8.317 8.707 -0.390 1
1 817 . 7 1 1 A 69 69 LEU HA H 69 4.016 4.343 -0.327 1
1 827 . 7 1 1 A 69 69 LEU CA C 69 56.060 56.111 -0.051 1
1 828 . 7 1 1 A 69 69 LEU CB C 69 42.903 42.147 0.756 1
1 832 . 7 1 1 A 69 69 LEU N N 69 126.736 124.851 1.885 1
1 833 . 7 1 1 A 70 70 GLU H H 70 9.618 9.311 0.307 1
1 834 . 7 1 1 A 70 70 GLU HA H 70 3.847 3.925 -0.078 1
1 839 . 7 1 1 A 70 70 GLU C C 70 174.818 176.383 -1.565 1
1 840 . 7 1 1 A 70 70 GLU CA C 70 58.625 57.440 1.185 1
1 841 . 7 1 1 A 70 70 GLU CB C 70 27.456 27.069 0.387 1
1 843 . 7 1 1 A 70 70 GLU N N 70 124.954 122.686 2.268 1
1 844 . 7 1 1 A 71 71 GLN H H 71 8.248 7.785 0.463 1
1 845 . 7 1 1 A 71 71 GLN HA H 71 4.678 4.465 0.213 1
1 852 . 7 1 1 A 71 71 GLN CA C 71 54.218 55.992 -1.774 1
1 853 . 7 1 1 A 71 71 GLN CB C 71 30.422 29.327 1.095 1
1 856 . 7 1 1 A 71 71 GLN N N 71 114.858 118.784 -3.926 1
1 858 . 7 1 1 A 72 72 GLY H H 72 8.362 7.868 0.494 1
1 859 . 7 1 1 A 72 72 GLY HA2 H 72 4.145 4.057 0.088 1
1 860 . 7 1 1 A 72 72 GLY HA3 H 72 4.059 4.073 -0.014 1
1 861 . 7 1 1 A 72 72 GLY C C 72 175.783 175.678 0.105 1
1 862 . 7 1 1 A 72 72 GLY CA C 72 46.838 45.476 1.362 1
1 863 . 7 1 1 A 72 72 GLY N N 72 110.404 107.911 2.493 1
1 864 . 7 1 1 A 73 73 GLU H H 73 9.085 8.273 0.812 1
1 865 . 7 1 1 A 73 73 GLU HA H 73 4.187 4.306 -0.119 1
1 870 . 7 1 1 A 73 73 GLU C C 73 175.522 176.122 -0.600 1
1 871 . 7 1 1 A 73 73 GLU CA C 73 57.443 56.903 0.540 1
1 872 . 7 1 1 A 73 73 GLU CB C 73 31.378 30.296 1.082 1
1 874 . 7 1 1 A 73 73 GLU N N 73 118.421 117.990 0.431 1
1 875 . 7 1 1 A 74 74 VAL H H 74 6.862 7.360 -0.498 1
1 876 . 7 1 1 A 74 74 VAL HA H 74 4.281 4.258 0.023 1
1 884 . 7 1 1 A 74 74 VAL C C 74 175.773 175.250 0.523 1
1 885 . 7 1 1 A 74 74 VAL CA C 74 57.468 60.028 -2.560 1
1 886 . 7 1 1 A 74 74 VAL CB C 74 36.344 34.343 2.001 1
1 889 . 7 1 1 A 74 74 VAL N N 74 108.919 114.004 -5.085 1
1 890 . 7 1 1 A 75 75 ILE H H 75 7.462 8.965 -1.503 1
1 891 . 7 1 1 A 75 75 ILE HA H 75 3.844 4.249 -0.405 1
1 901 . 7 1 1 A 75 75 ILE C C 75 177.618 177.206 0.412 1
1 902 . 7 1 1 A 75 75 ILE CA C 75 62.213 62.504 -0.291 1
1 903 . 7 1 1 A 75 75 ILE CB C 75 37.337 38.342 -1.005 1
1 907 . 7 1 1 A 75 75 ILE N N 75 113.373 123.902 -10.529 1
1 908 . 7 1 1 A 76 76 LYS H H 76 9.047 8.166 0.881 1
1 909 . 7 1 1 A 76 76 LYS HA H 76 4.282 4.488 -0.206 1
1 918 . 7 1 1 A 76 76 LYS C C 76 180.009 178.396 1.613 1
1 919 . 7 1 1 A 76 76 LYS CA C 76 59.482 57.226 2.256 1
1 920 . 7 1 1 A 76 76 LYS CB C 76 32.740 34.951 -2.211 1
1 924 . 7 1 1 A 76 76 LYS N N 76 124.954 121.088 3.866 1
1 925 . 7 1 1 A 77 77 GLY H H 77 9.775 8.713 1.062 1
1 926 . 7 1 1 A 77 77 GLY HA2 H 77 3.786 3.343 0.443 1
1 927 . 7 1 1 A 77 77 GLY HA3 H 77 3.618 3.497 0.121 1
1 928 . 7 1 1 A 77 77 GLY C C 77 175.261 176.573 -1.312 1
1 929 . 7 1 1 A 77 77 GLY CA C 77 47.402 47.137 0.265 1
1 930 . 7 1 1 A 77 77 GLY N N 77 101.199 108.137 -6.938 1
1 931 . 7 1 1 A 78 78 TRP H H 78 7.817 8.041 -0.224 1
1 932 . 7 1 1 A 78 78 TRP HA H 78 4.017 4.826 -0.809 1
1 940 . 7 1 1 A 78 78 TRP C C 78 177.610 178.020 -0.410 1
1 941 . 7 1 1 A 78 78 TRP CA C 78 61.524 60.277 1.247 1
1 942 . 7 1 1 A 78 78 TRP CB C 78 28.655 29.775 -1.120 1
1 943 . 7 1 1 A 78 78 TRP N N 78 120.203 122.443 -2.240 1
1 944 . 7 1 1 A 79 79 ASP H H 79 6.967 8.394 -1.427 1
1 945 . 7 1 1 A 79 79 ASP HA H 79 4.738 4.456 0.282 1
1 948 . 7 1 1 A 79 79 ASP C C 79 179.125 179.010 0.115 1
1 949 . 7 1 1 A 79 79 ASP CA C 79 58.492 57.699 0.793 1
1 950 . 7 1 1 A 79 79 ASP CB C 79 41.181 41.818 -0.637 1
1 951 . 7 1 1 A 79 79 ASP N N 79 121.688 120.033 1.655 1
1 952 . 7 1 1 A 80 80 ILE H H 80 8.173 7.935 0.238 1
1 953 . 7 1 1 A 80 80 ILE HA H 80 3.617 3.579 0.038 1
1 963 . 7 1 1 A 80 80 ILE C C 80 177.849 177.683 0.166 1
1 964 . 7 1 1 A 80 80 ILE CA C 80 64.758 65.320 -0.562 1
1 965 . 7 1 1 A 80 80 ILE CB C 80 39.198 38.528 0.670 1
1 969 . 7 1 1 A 80 80 ILE N N 80 118.125 118.884 -0.759 1
1 970 . 7 1 1 A 81 81 CYS H H 81 7.961 7.849 0.112 1
1 971 . 7 1 1 A 81 81 CYS HA H 81 4.456 4.032 0.424 1
1 974 . 7 1 1 A 81 81 CYS C C 81 178.812 176.876 1.936 1
1 975 . 7 1 1 A 81 81 CYS CA C 81 63.059 62.775 0.284 1
1 976 . 7 1 1 A 81 81 CYS CB C 81 27.732 26.512 1.220 1
1 977 . 7 1 1 A 81 81 CYS N N 81 116.937 121.089 -4.152 1
1 978 . 7 1 1 A 82 82 VAL H H 82 9.434 8.280 1.154 1
1 979 . 7 1 1 A 82 82 VAL HA H 82 3.476 3.868 -0.392 1
1 987 . 7 1 1 A 82 82 VAL C C 82 176.456 177.841 -1.385 1
1 988 . 7 1 1 A 82 82 VAL CA C 82 66.977 65.063 1.914 1
1 989 . 7 1 1 A 82 82 VAL CB C 82 30.171 31.762 -1.591 1
1 992 . 7 1 1 A 82 82 VAL N N 82 121.688 118.987 2.701 1
1 993 . 7 1 1 A 83 83 SER H H 83 7.541 7.804 -0.263 1
1 994 . 7 1 1 A 83 83 SER HA H 83 3.964 4.985 -1.021 1
1 997 . 7 1 1 A 83 83 SER C C 83 173.661 175.299 -1.638 1
1 998 . 7 1 1 A 83 83 SER CA C 83 61.551 59.483 2.068 1
1 999 . 7 1 1 A 83 83 SER CB C 83 63.239 62.945 0.294 1
1 1000 . 7 1 1 A 83 83 SER N N 83 111.889 117.382 -5.493 1
1 1001 . 7 1 1 A 84 84 SER H H 84 7.471 7.761 -0.290 1
1 1002 . 7 1 1 A 84 84 SER HA H 84 4.530 4.620 -0.090 1
1 1005 . 7 1 1 A 84 84 SER C C 84 174.314 174.115 0.199 1
1 1006 . 7 1 1 A 84 84 SER CA C 84 58.440 58.121 0.319 1
1 1007 . 7 1 1 A 84 84 SER CB C 84 65.929 63.990 1.939 1
1 1008 . 7 1 1 A 84 84 SER N N 84 114.264 115.764 -1.500 1
1 1009 . 7 1 1 A 85 85 MET H H 85 7.441 7.133 0.308 1
1 1010 . 7 1 1 A 85 85 MET HA H 85 4.262 4.843 -0.581 1
1 1015 . 7 1 1 A 85 85 MET C C 85 172.768 174.384 -1.616 1
1 1016 . 7 1 1 A 85 85 MET CA C 85 56.502 54.128 2.374 1
1 1017 . 7 1 1 A 85 85 MET CB C 85 36.378 35.378 1.000 1
1 1019 . 7 1 1 A 85 85 MET N N 85 124.657 120.233 4.424 1
1 1020 . 7 1 1 A 86 86 ARG H H 86 7.045 8.425 -1.380 1
1 1021 . 7 1 1 A 86 86 ARG HA H 86 4.879 4.651 0.228 1
1 1028 . 7 1 1 A 86 86 ARG C C 86 177.468 176.389 1.079 1
1 1029 . 7 1 1 A 86 86 ARG CA C 86 53.395 53.775 -0.380 1
1 1030 . 7 1 1 A 86 86 ARG CB C 86 33.244 33.264 -0.020 1
1 1033 . 7 1 1 A 86 86 ARG N N 86 114.264 118.609 -4.345 1
1 1034 . 7 1 1 A 87 87 LYS H H 87 8.818 8.430 0.388 1
1 1035 . 7 1 1 A 87 87 LYS HA H 87 3.554 3.867 -0.313 1
1 1044 . 7 1 1 A 87 87 LYS C C 87 175.382 177.238 -1.856 1
1 1045 . 7 1 1 A 87 87 LYS CA C 87 60.175 58.286 1.889 1
1 1046 . 7 1 1 A 87 87 LYS CB C 87 33.195 32.419 0.776 1
1 1050 . 7 1 1 A 87 87 LYS N N 87 121.391 122.927 -1.536 1
1 1051 . 7 1 1 A 88 88 ASN H H 88 8.943 7.789 1.154 1
1 1052 . 7 1 1 A 88 88 ASN HA H 88 4.291 4.995 -0.704 1
1 1057 . 7 1 1 A 88 88 ASN C C 88 174.124 174.092 0.032 1
1 1058 . 7 1 1 A 88 88 ASN CA C 88 56.703 52.950 3.753 1
1 1059 . 7 1 1 A 88 88 ASN CB C 88 36.677 40.047 -3.370 1
1 1060 . 7 1 1 A 88 88 ASN N N 88 116.640 114.764 1.876 1
1 1062 . 7 1 1 A 89 89 GLU H H 89 8.677 7.575 1.102 1
1 1063 . 7 1 1 A 89 89 GLU HA H 89 4.358 5.065 -0.707 1
1 1068 . 7 1 1 A 89 89 GLU C C 89 174.903 174.586 0.317 1
1 1069 . 7 1 1 A 89 89 GLU CA C 89 56.190 55.127 1.063 1
1 1070 . 7 1 1 A 89 89 GLU CB C 89 33.096 32.683 0.413 1
1 1072 . 7 1 1 A 89 89 GLU N N 89 122.876 121.127 1.749 1
1 1073 . 7 1 1 A 90 90 LYS H H 90 8.580 9.027 -0.447 1
1 1074 . 7 1 1 A 90 90 LYS HA H 90 5.542 5.423 0.119 1
1 1083 . 7 1 1 A 90 90 LYS C C 90 175.593 175.002 0.591 1
1 1084 . 7 1 1 A 90 90 LYS CA C 90 54.210 54.911 -0.701 1
1 1085 . 7 1 1 A 90 90 LYS CB C 90 36.189 36.249 -0.060 1
1 1089 . 7 1 1 A 90 90 LYS N N 90 123.469 126.716 -3.247 1
1 1090 . 7 1 1 A 91 91 CYS H H 91 9.673 8.795 0.878 1
1 1091 . 7 1 1 A 91 91 CYS HA H 91 5.524 5.201 0.323 1
1 1094 . 7 1 1 A 91 91 CYS C C 91 170.527 172.262 -1.735 1
1 1095 . 7 1 1 A 91 91 CYS CA C 91 54.690 56.355 -1.665 1
1 1096 . 7 1 1 A 91 91 CYS CB C 91 32.542 32.626 -0.084 1
1 1097 . 7 1 1 A 91 91 CYS N N 91 122.579 124.742 -2.163 1
1 1098 . 7 1 1 A 92 92 LEU H H 92 8.984 9.183 -0.199 1
1 1099 . 7 1 1 A 92 92 LEU HA H 92 5.458 5.460 -0.002 1
1 1109 . 7 1 1 A 92 92 LEU C C 92 175.596 173.917 1.679 1
1 1110 . 7 1 1 A 92 92 LEU CA C 92 53.413 53.302 0.111 1
1 1111 . 7 1 1 A 92 92 LEU CB C 92 44.972 45.716 -0.744 1
1 1115 . 7 1 1 A 92 92 LEU N N 92 122.282 123.529 -1.247 1
1 1116 . 7 1 1 A 93 93 VAL H H 93 10.107 9.160 0.947 1
1 1117 . 7 1 1 A 93 93 VAL HA H 93 5.506 4.935 0.571 1
1 1125 . 7 1 1 A 93 93 VAL C C 93 171.051 173.751 -2.700 1
1 1126 . 7 1 1 A 93 93 VAL CA C 93 58.200 59.476 -1.276 1
1 1127 . 7 1 1 A 93 93 VAL CB C 93 35.276 34.885 0.391 1
1 1130 . 7 1 1 A 93 93 VAL N N 93 126.224 124.457 1.767 1
1 1131 . 7 1 1 A 94 94 ARG H H 94 8.949 8.796 0.153 1
1 1132 . 7 1 1 A 94 94 ARG HA H 94 5.133 4.828 0.305 1
1 1139 . 7 1 1 A 94 94 ARG C C 94 175.823 175.030 0.793 1
1 1140 . 7 1 1 A 94 94 ARG CA C 94 56.219 55.446 0.773 1
1 1141 . 7 1 1 A 94 94 ARG CB C 94 32.039 30.917 1.122 1
1 1144 . 7 1 1 A 94 94 ARG N N 94 130.596 126.766 3.830 1
1 1145 . 7 1 1 A 95 95 ILE H H 95 9.655 8.198 1.457 1
1 1146 . 7 1 1 A 95 95 ILE HA H 95 4.899 4.551 0.348 1
1 1156 . 7 1 1 A 95 95 ILE C C 95 175.215 175.261 -0.046 1
1 1157 . 7 1 1 A 95 95 ILE CA C 95 60.582 60.347 0.235 1
1 1158 . 7 1 1 A 95 95 ILE CB C 95 37.359 38.280 -0.921 1
1 1162 . 7 1 1 A 95 95 ILE N N 95 129.905 126.789 3.116 1
1 1163 . 7 1 1 A 96 96 GLU H H 96 9.213 8.832 0.381 1
1 1164 . 7 1 1 A 96 96 GLU HA H 96 4.320 4.383 -0.063 1
1 1169 . 7 1 1 A 96 96 GLU C C 96 177.897 177.518 0.379 1
1 1170 . 7 1 1 A 96 96 GLU CA C 96 57.568 55.688 1.880 1
1 1171 . 7 1 1 A 96 96 GLU CB C 96 29.676 30.808 -1.132 1
1 1173 . 7 1 1 A 96 96 GLU N N 96 126.439 128.817 -2.378 1
1 1174 . 7 1 1 A 97 97 SER H H 97 8.693 8.803 -0.110 1
1 1175 . 7 1 1 A 97 97 SER HA H 97 4.370 4.075 0.295 1
1 1178 . 7 1 1 A 97 97 SER C C 97 178.668 175.651 3.017 1
1 1179 . 7 1 1 A 97 97 SER CA C 97 62.800 61.755 1.045 1
1 1180 . 7 1 1 A 97 97 SER CB C 97 64.591 62.614 1.977 1
1 1181 . 7 1 1 A 97 97 SER N N 97 115.749 119.415 -3.666 1
1 1182 . 7 1 1 A 98 98 MET H H 98 8.937 8.221 0.716 1
1 1183 . 7 1 1 A 98 98 MET HA H 98 4.170 4.274 -0.104 1
1 1188 . 7 1 1 A 98 98 MET C C 98 179.250 176.608 2.642 1
1 1189 . 7 1 1 A 98 98 MET CA C 98 58.702 57.218 1.484 1
1 1190 . 7 1 1 A 98 98 MET CB C 98 31.047 32.410 -1.363 1
1 1192 . 7 1 1 A 98 98 MET N N 98 121.985 118.314 3.671 1
1 1193 . 7 1 1 A 99 99 TYR H H 99 7.927 7.621 0.306 1
1 1194 . 7 1 1 A 99 99 TYR HA H 99 4.435 4.483 -0.048 1
1 1201 . 7 1 1 A 99 99 TYR C C 99 173.125 175.889 -2.764 1
1 1202 . 7 1 1 A 99 99 TYR CA C 99 58.064 59.417 -1.353 1
1 1203 . 7 1 1 A 99 99 TYR CB C 99 39.570 38.625 0.945 1
1 1204 . 7 1 1 A 99 99 TYR N N 99 116.640 117.983 -1.343 1
1 1205 . 7 1 1 A 100 100 GLY H H 100 7.802 7.544 0.258 1
1 1206 . 7 1 1 A 100 100 GLY HA2 H 100 3.223 4.233 -1.010 1
1 1207 . 7 1 1 A 100 100 GLY HA3 H 100 4.309 4.313 -0.004 1
1 1208 . 7 1 1 A 100 100 GLY C C 100 173.213 174.408 -1.195 1
1 1209 . 7 1 1 A 100 100 GLY CA C 100 45.062 44.105 0.957 1
1 1210 . 7 1 1 A 100 100 GLY N N 100 110.998 108.239 2.759 1
1 1211 . 7 1 1 A 101 101 TYR H H 101 9.407 8.588 0.819 1
1 1212 . 7 1 1 A 101 101 TYR HA H 101 4.443 4.905 -0.462 1
1 1219 . 7 1 1 A 101 101 TYR C C 101 176.014 176.933 -0.919 1
1 1220 . 7 1 1 A 101 101 TYR CA C 101 58.944 58.351 0.593 1
1 1221 . 7 1 1 A 101 101 TYR CB C 101 37.732 38.053 -0.321 1
1 1222 . 7 1 1 A 101 101 TYR N N 101 126.439 118.296 8.143 1
1 1223 . 7 1 1 A 102 102 GLY H H 102 8.231 7.991 0.240 1
1 1224 . 7 1 1 A 102 102 GLY HA2 H 102 4.001 3.824 0.177 1
1 1225 . 7 1 1 A 102 102 GLY HA3 H 102 3.715 3.859 -0.144 1
1 1226 . 7 1 1 A 102 102 GLY C C 102 175.685 175.478 0.207 1
1 1227 . 7 1 1 A 102 102 GLY CA C 102 46.447 47.254 -0.807 1
1 1228 . 7 1 1 A 102 102 GLY N N 102 107.138 109.378 -2.240 1
1 1229 . 7 1 1 A 103 103 ASP H H 103 8.983 7.930 1.053 1
1 1230 . 7 1 1 A 103 103 ASP HA H 103 4.277 4.362 -0.085 1
1 1233 . 7 1 1 A 103 103 ASP C C 103 176.677 178.084 -1.407 1
1 1234 . 7 1 1 A 103 103 ASP CA C 103 56.352 56.685 -0.333 1
1 1235 . 7 1 1 A 103 103 ASP CB C 103 40.640 40.230 0.410 1
1 1236 . 7 1 1 A 103 103 ASP N N 103 124.954 121.189 3.765 1
1 1237 . 7 1 1 A 104 104 GLU H H 104 8.552 7.625 0.927 1
1 1238 . 7 1 1 A 104 104 GLU HA H 104 4.139 4.416 -0.277 1
1 1243 . 7 1 1 A 104 104 GLU C C 104 179.142 176.618 2.524 1
1 1244 . 7 1 1 A 104 104 GLU CA C 104 58.100 57.280 0.820 1
1 1245 . 7 1 1 A 104 104 GLU CB C 104 30.076 30.548 -0.472 1
1 1247 . 7 1 1 A 104 104 GLU N N 104 117.531 117.372 0.159 1
1 1248 . 7 1 1 A 105 105 GLY H H 105 7.188 8.465 -1.277 1
1 1249 . 7 1 1 A 105 105 GLY HA2 H 105 3.137 3.948 -0.811 1
1 1250 . 7 1 1 A 105 105 GLY HA3 H 105 4.012 3.960 0.052 1
1 1251 . 7 1 1 A 105 105 GLY C C 105 171.730 174.364 -2.634 1
1 1252 . 7 1 1 A 105 105 GLY CA C 105 44.214 45.110 -0.896 1
1 1253 . 7 1 1 A 105 105 GLY N N 105 104.168 107.603 -3.435 1
1 1254 . 7 1 1 A 106 106 CYS H H 106 9.026 7.837 1.189 1
1 1255 . 7 1 1 A 106 106 CYS HA H 106 4.253 4.679 -0.426 1
1 1258 . 7 1 1 A 106 106 CYS C C 106 173.438 174.824 -1.386 1
1 1259 . 7 1 1 A 106 106 CYS CA C 106 57.814 59.149 -1.335 1
1 1260 . 7 1 1 A 106 106 CYS CB C 106 26.162 28.837 -2.675 1
1 1261 . 7 1 1 A 106 106 CYS N N 106 121.949 119.654 2.295 1
1 1262 . 7 1 1 A 107 107 GLY H H 107 8.584 8.419 0.165 1
1 1263 . 7 1 1 A 107 107 GLY HA2 H 107 3.706 4.284 -0.578 1
1 1264 . 7 1 1 A 107 107 GLY HA3 H 107 3.954 4.295 -0.341 1
1 1265 . 7 1 1 A 107 107 GLY C C 107 173.461 174.016 -0.555 1
1 1266 . 7 1 1 A 107 107 GLY CA C 107 45.258 45.656 -0.398 1
1 1267 . 7 1 1 A 107 107 GLY N N 107 114.561 110.163 4.398 1
1 1268 . 7 1 1 A 108 108 GLU H H 108 8.503 9.148 -0.645 1
1 1269 . 7 1 1 A 108 108 GLU HA H 108 4.051 4.149 -0.098 1
1 1274 . 7 1 1 A 108 108 GLU C C 108 178.118 178.484 -0.366 1
1 1275 . 7 1 1 A 108 108 GLU CA C 108 57.478 59.262 -1.784 1
1 1276 . 7 1 1 A 108 108 GLU CB C 108 29.835 30.076 -0.241 1
1 1278 . 7 1 1 A 108 108 GLU N N 108 119.609 120.953 -1.344 1
1 1279 . 7 1 1 A 109 109 SER H H 109 8.082 7.867 0.215 1
1 1280 . 7 1 1 A 109 109 SER HA H 109 4.127 4.344 -0.217 1
1 1283 . 7 1 1 A 109 109 SER C C 109 173.569 174.766 -1.197 1
1 1284 . 7 1 1 A 109 109 SER CA C 109 60.141 60.673 -0.532 1
1 1285 . 7 1 1 A 109 109 SER CB C 109 63.935 63.153 0.782 1
1 1286 . 7 1 1 A 109 109 SER N N 109 112.186 114.204 -2.018 1
1 1287 . 7 1 1 A 110 110 ILE H H 110 6.570 7.988 -1.418 1
1 1288 . 7 1 1 A 110 110 ILE HA H 110 4.235 4.567 -0.332 1
1 1298 . 7 1 1 A 110 110 ILE CA C 110 58.031 57.997 0.034 1
1 1299 . 7 1 1 A 110 110 ILE CB C 110 39.086 39.607 -0.521 1
1 1303 . 7 1 1 A 110 110 ILE N N 110 116.937 115.756 1.181 1
1 1304 . 7 1 1 A 111 111 PRO HA H 111 4.510 4.410 0.100 1
1 1311 . 7 1 1 A 111 111 PRO C C 111 179.076 177.485 1.591 1
1 1312 . 7 1 1 A 111 111 PRO CA C 111 61.703 65.644 -3.941 1
1 1313 . 7 1 1 A 111 111 PRO CB C 111 32.729 31.699 1.030 1
1 1316 . 7 1 1 A 112 112 GLY H H 112 9.018 8.106 0.912 1
1 1317 . 7 1 1 A 112 112 GLY HA2 H 112 3.461 3.901 -0.440 1
1 1318 . 7 1 1 A 112 112 GLY HA3 H 112 3.714 3.902 -0.188 1
1 1319 . 7 1 1 A 112 112 GLY C C 112 172.723 174.827 -2.104 1
1 1320 . 7 1 1 A 112 112 GLY CA C 112 46.262 46.474 -0.212 1
1 1321 . 7 1 1 A 112 112 GLY N N 112 111.592 108.783 2.809 1
1 1322 . 7 1 1 A 113 113 ASN H H 113 8.381 8.613 -0.232 1
1 1323 . 7 1 1 A 113 113 ASN HA H 113 4.278 4.803 -0.525 1
1 1328 . 7 1 1 A 113 113 ASN C C 113 174.643 173.817 0.826 1
1 1329 . 7 1 1 A 113 113 ASN CA C 113 54.388 52.464 1.924 1
1 1330 . 7 1 1 A 113 113 ASN CB C 113 37.204 39.540 -2.336 1
1 1331 . 7 1 1 A 113 113 ASN N N 113 116.937 124.485 -7.548 1
1 1333 . 7 1 1 A 114 114 SER H H 114 7.617 7.006 0.611 1
1 1334 . 7 1 1 A 114 114 SER HA H 114 4.517 4.852 -0.335 1
1 1337 . 7 1 1 A 114 114 SER C C 114 172.904 172.770 0.134 1
1 1338 . 7 1 1 A 114 114 SER CA C 114 59.864 57.134 2.730 1
1 1339 . 7 1 1 A 114 114 SER CB C 114 64.678 65.908 -1.230 1
1 1340 . 7 1 1 A 114 114 SER N N 114 113.077 117.428 -4.351 1
1 1341 . 7 1 1 A 115 115 VAL H H 115 8.500 8.332 0.168 1
1 1342 . 7 1 1 A 115 115 VAL HA H 115 4.341 4.931 -0.590 1
1 1350 . 7 1 1 A 115 115 VAL C C 115 176.075 174.271 1.804 1
1 1351 . 7 1 1 A 115 115 VAL CA C 115 62.705 60.069 2.636 1
1 1352 . 7 1 1 A 115 115 VAL CB C 115 31.546 33.952 -2.406 1
1 1355 . 7 1 1 A 115 115 VAL N N 115 124.360 122.373 1.987 1
1 1356 . 7 1 1 A 116 116 LEU H H 116 9.104 8.397 0.707 1
1 1357 . 7 1 1 A 116 116 LEU HA H 116 5.002 4.862 0.140 1
1 1367 . 7 1 1 A 116 116 LEU C C 116 174.923 175.540 -0.617 1
1 1368 . 7 1 1 A 116 116 LEU CA C 116 53.123 53.400 -0.277 1
1 1369 . 7 1 1 A 116 116 LEU CB C 116 45.379 45.273 0.106 1
1 1373 . 7 1 1 A 116 116 LEU N N 116 128.814 129.171 -0.357 1
1 1374 . 7 1 1 A 117 117 LEU H H 117 9.009 8.626 0.383 1
1 1375 . 7 1 1 A 117 117 LEU HA H 117 5.601 4.725 0.876 1
1 1385 . 7 1 1 A 117 117 LEU C C 117 176.574 175.130 1.444 1
1 1386 . 7 1 1 A 117 117 LEU CA C 117 52.750 52.953 -0.203 1
1 1387 . 7 1 1 A 117 117 LEU CB C 117 44.693 43.088 1.605 1
1 1391 . 7 1 1 A 117 117 LEU N N 117 121.391 121.176 0.215 1
1 1392 . 7 1 1 A 118 118 PHE H H 118 9.375 8.603 0.772 1
1 1393 . 7 1 1 A 118 118 PHE HA H 118 6.155 5.193 0.962 1
1 1401 . 7 1 1 A 118 118 PHE C C 118 176.518 175.268 1.250 1
1 1402 . 7 1 1 A 118 118 PHE CA C 118 55.411 56.355 -0.944 1
1 1403 . 7 1 1 A 118 118 PHE CB C 118 42.385 42.084 0.301 1
1 1404 . 7 1 1 A 118 118 PHE N N 118 117.531 123.261 -5.730 1
1 1405 . 7 1 1 A 119 119 GLU H H 119 8.905 9.806 -0.901 1
1 1406 . 7 1 1 A 119 119 GLU HA H 119 5.604 4.845 0.759 1
1 1411 . 7 1 1 A 119 119 GLU C C 119 175.947 175.741 0.206 1
1 1412 . 7 1 1 A 119 119 GLU CA C 119 60.489 56.424 4.065 1
1 1413 . 7 1 1 A 119 119 GLU CB C 119 31.189 31.089 0.100 1
1 1415 . 7 1 1 A 119 119 GLU N N 119 122.876 123.127 -0.251 1
1 1416 . 7 1 1 A 120 120 ILE H H 120 8.912 9.040 -0.128 1
1 1417 . 7 1 1 A 120 120 ILE HA H 120 4.965 5.179 -0.214 1
1 1427 . 7 1 1 A 120 120 ILE C C 120 173.341 174.896 -1.555 1
1 1428 . 7 1 1 A 120 120 ILE CA C 120 60.568 60.144 0.424 1
1 1429 . 7 1 1 A 120 120 ILE CB C 120 41.927 40.769 1.158 1
1 1433 . 7 1 1 A 120 120 ILE N N 120 123.000 125.247 -2.247 1
1 1434 . 7 1 1 A 121 121 GLU H H 121 9.074 8.565 0.509 1
1 1435 . 7 1 1 A 121 121 GLU HA H 121 5.445 5.083 0.362 1
1 1440 . 7 1 1 A 121 121 GLU C C 121 175.254 174.362 0.892 1
1 1441 . 7 1 1 A 121 121 GLU CA C 121 53.941 54.691 -0.750 1
1 1442 . 7 1 1 A 121 121 GLU CB C 121 33.897 33.775 0.122 1
1 1444 . 7 1 1 A 121 121 GLU N N 121 128.221 127.989 0.232 1
1 1445 . 7 1 1 A 122 122 LEU H H 122 8.112 8.792 -0.680 1
1 1446 . 7 1 1 A 122 122 LEU HA H 122 4.680 4.554 0.126 1
1 1456 . 7 1 1 A 122 122 LEU C C 122 174.472 176.607 -2.135 1
1 1457 . 7 1 1 A 122 122 LEU CA C 122 54.403 54.603 -0.200 1
1 1458 . 7 1 1 A 122 122 LEU CB C 122 40.796 42.419 -1.623 1
1 1462 . 7 1 1 A 122 122 LEU N N 122 127.033 127.501 -0.468 1
1 1463 . 7 1 1 A 123 123 LEU H H 123 8.704 8.508 0.196 1
1 1464 . 7 1 1 A 123 123 LEU HA H 123 4.385 4.654 -0.269 1
1 1474 . 7 1 1 A 123 123 LEU C C 123 177.614 177.384 0.230 1
1 1475 . 7 1 1 A 123 123 LEU CA C 123 57.095 54.896 2.199 1
1 1476 . 7 1 1 A 123 123 LEU CB C 123 42.226 43.340 -1.114 1
1 1480 . 7 1 1 A 123 123 LEU N N 123 128.814 123.673 5.141 1
1 1481 . 7 1 1 A 124 124 SER H H 124 7.602 7.557 0.045 1
1 1482 . 7 1 1 A 124 124 SER HA H 124 4.161 5.129 -0.968 1
1 1485 . 7 1 1 A 124 124 SER C C 124 171.375 172.844 -1.469 1
1 1486 . 7 1 1 A 124 124 SER CA C 124 57.545 57.716 -0.171 1
1 1487 . 7 1 1 A 124 124 SER CB C 124 63.359 67.118 -3.759 1
1 1488 . 7 1 1 A 124 124 SER N N 124 105.653 114.968 -9.315 1
1 1489 . 7 1 1 A 125 125 PHE H H 125 7.818 8.809 -0.991 1
1 1490 . 7 1 1 A 125 125 PHE HA H 125 5.451 5.128 0.323 1
1 1498 . 7 1 1 A 125 125 PHE C C 125 173.154 172.597 0.557 1
1 1499 . 7 1 1 A 125 125 PHE CA C 125 56.463 56.295 0.168 1
1 1500 . 7 1 1 A 125 125 PHE CB C 125 42.301 40.958 1.343 1
1 1501 . 7 1 1 A 125 125 PHE N N 125 113.373 120.154 -6.781 1
1 1502 . 7 1 1 A 126 126 ARG H H 126 8.934 8.506 0.428 1
1 1503 . 7 1 1 A 126 126 ARG HA H 126 4.693 4.734 -0.041 1
1 1510 . 7 1 1 A 126 126 ARG C C 126 174.013 175.041 -1.028 1
1 1511 . 7 1 1 A 126 126 ARG CA C 126 54.654 54.428 0.226 1
1 1512 . 7 1 1 A 126 126 ARG CB C 126 33.064 32.265 0.799 1
1 1515 . 7 1 1 A 126 126 ARG N N 126 116.046 119.384 -3.338 1
1 1516 . 7 1 1 A 127 127 GLU H H 127 8.665 8.776 -0.111 1
1 1517 . 7 1 1 A 127 127 GLU HA H 127 4.436 4.985 -0.549 1
1 1522 . 7 1 1 A 127 127 GLU C C 127 176.050 175.429 0.621 1
1 1523 . 7 1 1 A 127 127 GLU CA C 127 55.552 55.338 0.214 1
1 1524 . 7 1 1 A 127 127 GLU CB C 127 30.600 30.557 0.043 1
1 1 . 8 1 1 A 2 2 THR HA H 2 4.479 4.443 0.036 1
1 6 . 8 1 1 A 2 2 THR C C 2 174.348 173.929 0.419 1
1 7 . 8 1 1 A 2 2 THR CA C 2 61.838 61.857 -0.019 1
1 8 . 8 1 1 A 2 2 THR CB C 2 69.919 68.260 1.659 1
1 10 . 8 1 1 A 3 3 THR H H 3 8.289 8.891 -0.602 1
1 11 . 8 1 1 A 3 3 THR HA H 3 4.282 4.380 -0.098 1
1 16 . 8 1 1 A 3 3 THR C C 3 174.404 174.743 -0.339 1
1 17 . 8 1 1 A 3 3 THR CA C 3 62.140 63.486 -1.346 1
1 18 . 8 1 1 A 3 3 THR CB C 3 69.658 69.772 -0.114 1
1 20 . 8 1 1 A 3 3 THR N N 3 116.640 121.951 -5.311 1
1 21 . 8 1 1 A 4 4 GLU H H 4 8.567 7.844 0.723 1
1 22 . 8 1 1 A 4 4 GLU HA H 4 4.156 4.857 -0.701 1
1 27 . 8 1 1 A 4 4 GLU C C 4 176.216 174.376 1.840 1
1 28 . 8 1 1 A 4 4 GLU CA C 4 56.929 55.316 1.613 1
1 29 . 8 1 1 A 4 4 GLU CB C 4 29.821 33.333 -3.512 1
1 31 . 8 1 1 A 4 4 GLU N N 4 123.469 118.752 4.717 1
1 32 . 8 1 1 A 5 5 GLN H H 5 8.222 8.697 -0.475 1
1 33 . 8 1 1 A 5 5 GLN HA H 5 4.167 4.533 -0.366 1
1 40 . 8 1 1 A 5 5 GLN C C 5 175.216 174.846 0.370 1
1 41 . 8 1 1 A 5 5 GLN CA C 5 55.674 55.144 0.530 1
1 42 . 8 1 1 A 5 5 GLN CB C 5 29.553 29.911 -0.358 1
1 45 . 8 1 1 A 5 5 GLN N N 5 120.797 125.281 -4.484 1
1 47 . 8 1 1 A 6 6 GLU H H 6 8.171 8.492 -0.321 1
1 48 . 8 1 1 A 6 6 GLU HA H 6 4.080 4.449 -0.369 1
1 53 . 8 1 1 A 6 6 GLU C C 6 175.870 174.913 0.957 1
1 54 . 8 1 1 A 6 6 GLU CA C 6 56.400 55.181 1.219 1
1 55 . 8 1 1 A 6 6 GLU CB C 6 30.335 29.888 0.447 1
1 57 . 8 1 1 A 6 6 GLU N N 6 122.100 123.156 -1.056 1
1 58 . 8 1 1 A 7 7 PHE H H 7 8.051 8.414 -0.363 1
1 59 . 8 1 1 A 7 7 PHE HA H 7 4.710 4.964 -0.254 1
1 67 . 8 1 1 A 7 7 PHE C C 7 175.461 174.931 0.530 1
1 68 . 8 1 1 A 7 7 PHE CA C 7 56.825 56.372 0.453 1
1 69 . 8 1 1 A 7 7 PHE CB C 7 39.812 42.357 -2.545 1
1 70 . 8 1 1 A 7 7 PHE N N 7 120.500 126.494 -5.994 1
1 71 . 8 1 1 A 8 8 GLU H H 8 8.626 8.628 -0.002 1
1 72 . 8 1 1 A 8 8 GLU HA H 8 4.193 4.567 -0.374 1
1 77 . 8 1 1 A 8 8 GLU C C 8 176.141 176.076 0.065 1
1 78 . 8 1 1 A 8 8 GLU CA C 8 56.932 56.463 0.469 1
1 79 . 8 1 1 A 8 8 GLU CB C 8 30.794 30.544 0.250 1
1 81 . 8 1 1 A 8 8 GLU N N 8 123.469 123.413 0.056 1
1 82 . 8 1 1 A 9 9 LYS H H 9 8.396 8.662 -0.266 1
1 83 . 8 1 1 A 9 9 LYS HA H 9 5.100 4.909 0.191 1
1 92 . 8 1 1 A 9 9 LYS C C 9 176.168 175.538 0.630 1
1 93 . 8 1 1 A 9 9 LYS CA C 9 55.428 55.376 0.052 1
1 94 . 8 1 1 A 9 9 LYS CB C 9 34.214 34.168 0.046 1
1 98 . 8 1 1 A 9 9 LYS N N 9 124.954 125.179 -0.225 1
1 99 . 8 1 1 A 10 10 VAL H H 10 9.445 9.230 0.215 1
1 100 . 8 1 1 A 10 10 VAL HA H 10 4.278 4.524 -0.246 1
1 108 . 8 1 1 A 10 10 VAL C C 10 174.967 174.938 0.029 1
1 109 . 8 1 1 A 10 10 VAL CA C 10 60.951 61.398 -0.447 1
1 110 . 8 1 1 A 10 10 VAL CB C 10 34.681 31.989 2.692 1
1 113 . 8 1 1 A 10 10 VAL N N 10 124.360 125.075 -0.715 1
1 114 . 8 1 1 A 11 11 GLU H H 11 9.021 8.862 0.159 1
1 115 . 8 1 1 A 11 11 GLU HA H 11 4.369 4.644 -0.275 1
1 120 . 8 1 1 A 11 11 GLU C C 11 174.797 177.099 -2.302 1
1 121 . 8 1 1 A 11 11 GLU CA C 11 56.728 55.345 1.383 1
1 122 . 8 1 1 A 11 11 GLU CB C 11 28.655 29.201 -0.546 1
1 124 . 8 1 1 A 11 11 GLU N N 11 127.924 127.028 0.896 1
1 125 . 8 1 1 A 12 12 LEU H H 12 8.396 8.803 -0.407 1
1 126 . 8 1 1 A 12 12 LEU HA H 12 4.311 3.938 0.373 1
1 136 . 8 1 1 A 12 12 LEU C C 12 176.600 176.347 0.253 1
1 137 . 8 1 1 A 12 12 LEU CA C 12 55.292 55.676 -0.384 1
1 138 . 8 1 1 A 12 12 LEU CB C 12 42.624 40.616 2.008 1
1 142 . 8 1 1 A 12 12 LEU N N 12 124.954 124.773 0.181 1
1 143 . 8 1 1 A 13 13 THR H H 13 7.328 7.445 -0.117 1
1 144 . 8 1 1 A 13 13 THR HA H 13 4.530 4.453 0.077 1
1 149 . 8 1 1 A 13 13 THR C C 13 175.180 175.677 -0.497 1
1 150 . 8 1 1 A 13 13 THR CA C 13 59.603 61.130 -1.527 1
1 151 . 8 1 1 A 13 13 THR CB C 13 70.742 69.862 0.880 1
1 153 . 8 1 1 A 13 13 THR N N 13 106.841 116.652 -9.811 1
1 154 . 8 1 1 A 14 14 ALA H H 14 8.689 8.936 -0.247 1
1 155 . 8 1 1 A 14 14 ALA HA H 14 4.247 4.111 0.136 1
1 159 . 8 1 1 A 14 14 ALA C C 14 177.522 177.890 -0.368 1
1 160 . 8 1 1 A 14 14 ALA CA C 14 53.875 53.675 0.200 1
1 161 . 8 1 1 A 14 14 ALA CB C 14 17.920 18.730 -0.810 1
1 162 . 8 1 1 A 14 14 ALA N N 14 123.733 128.659 -4.926 1
1 163 . 8 1 1 A 15 15 ASP H H 15 7.516 7.565 -0.049 1
1 164 . 8 1 1 A 15 15 ASP HA H 15 4.518 4.745 -0.227 1
1 167 . 8 1 1 A 15 15 ASP C C 15 177.402 176.134 1.268 1
1 168 . 8 1 1 A 15 15 ASP CA C 15 52.635 53.565 -0.930 1
1 169 . 8 1 1 A 15 15 ASP CB C 15 40.912 41.102 -0.190 1
1 170 . 8 1 1 A 15 15 ASP N N 15 113.967 117.828 -3.861 1
1 171 . 8 1 1 A 16 16 GLY H H 16 7.986 8.474 -0.488 1
1 172 . 8 1 1 A 16 16 GLY HA2 H 16 4.080 3.926 0.154 1
1 173 . 8 1 1 A 16 16 GLY HA3 H 16 3.529 3.939 -0.410 1
1 174 . 8 1 1 A 16 16 GLY C C 16 175.233 175.313 -0.080 1
1 175 . 8 1 1 A 16 16 GLY CA C 16 45.798 45.131 0.667 1
1 176 . 8 1 1 A 16 16 GLY N N 16 108.919 106.387 2.532 1
1 177 . 8 1 1 A 17 17 GLY H H 17 8.681 8.064 0.617 1
1 178 . 8 1 1 A 17 17 GLY HA2 H 17 4.513 3.922 0.591 1
1 179 . 8 1 1 A 17 17 GLY HA3 H 17 4.513 3.932 0.581 1
1 180 . 8 1 1 A 17 17 GLY C C 17 172.684 174.029 -1.345 1
1 181 . 8 1 1 A 17 17 GLY CA C 17 46.672 46.614 0.058 1
1 182 . 8 1 1 A 17 17 GLY N N 17 108.663 109.331 -0.668 1
1 183 . 8 1 1 A 18 18 VAL H H 18 6.903 7.554 -0.651 1
1 184 . 8 1 1 A 18 18 VAL HA H 18 4.855 4.215 0.640 1
1 192 . 8 1 1 A 18 18 VAL C C 18 174.737 174.524 0.213 1
1 193 . 8 1 1 A 18 18 VAL CA C 18 62.035 60.020 2.015 1
1 194 . 8 1 1 A 18 18 VAL CB C 18 33.315 35.316 -2.001 1
1 197 . 8 1 1 A 18 18 VAL N N 18 117.234 118.443 -1.209 1
1 198 . 8 1 1 A 19 19 ILE H H 19 8.243 8.242 0.001 1
1 199 . 8 1 1 A 19 19 ILE HA H 19 4.665 4.593 0.072 1
1 209 . 8 1 1 A 19 19 ILE C C 19 174.360 175.403 -1.043 1
1 210 . 8 1 1 A 19 19 ILE CA C 19 60.736 60.737 -0.001 1
1 211 . 8 1 1 A 19 19 ILE CB C 19 41.856 37.540 4.316 1
1 215 . 8 1 1 A 19 19 ILE N N 19 126.439 126.069 0.370 1
1 216 . 8 1 1 A 20 20 LYS H H 20 9.345 8.651 0.694 1
1 217 . 8 1 1 A 20 20 LYS HA H 20 5.296 5.005 0.291 1
1 226 . 8 1 1 A 20 20 LYS C C 20 173.618 174.383 -0.765 1
1 227 . 8 1 1 A 20 20 LYS CA C 20 54.842 54.511 0.331 1
1 228 . 8 1 1 A 20 20 LYS CB C 20 36.261 36.027 0.234 1
1 232 . 8 1 1 A 20 20 LYS N N 20 129.408 124.773 4.635 1
1 233 . 8 1 1 A 21 21 THR H H 21 9.597 9.308 0.289 1
1 234 . 8 1 1 A 21 21 THR HA H 21 4.923 4.850 0.073 1
1 239 . 8 1 1 A 21 21 THR C C 21 174.648 173.241 1.407 1
1 240 . 8 1 1 A 21 21 THR CA C 21 61.703 62.059 -0.356 1
1 241 . 8 1 1 A 21 21 THR CB C 21 70.230 70.270 -0.040 1
1 243 . 8 1 1 A 21 21 THR N N 21 123.469 117.078 6.391 1
1 244 . 8 1 1 A 22 22 ILE H H 22 9.248 8.551 0.697 1
1 245 . 8 1 1 A 22 22 ILE HA H 22 3.637 4.287 -0.650 1
1 255 . 8 1 1 A 22 22 ILE C C 22 174.348 174.410 -0.062 1
1 256 . 8 1 1 A 22 22 ILE CA C 22 64.258 60.893 3.365 1
1 257 . 8 1 1 A 22 22 ILE CB C 22 37.551 38.032 -0.481 1
1 261 . 8 1 1 A 22 22 ILE N N 22 128.517 126.786 1.731 1
1 262 . 8 1 1 A 23 23 LEU H H 23 8.498 8.785 -0.287 1
1 263 . 8 1 1 A 23 23 LEU HA H 23 4.180 3.430 0.750 1
1 273 . 8 1 1 A 23 23 LEU C C 23 177.521 176.230 1.291 1
1 274 . 8 1 1 A 23 23 LEU CA C 23 55.460 55.815 -0.355 1
1 275 . 8 1 1 A 23 23 LEU CB C 23 42.239 42.354 -0.115 1
1 279 . 8 1 1 A 23 23 LEU N N 23 128.517 130.862 -2.345 1
1 280 . 8 1 1 A 24 24 LYS H H 24 8.020 7.140 0.880 1
1 281 . 8 1 1 A 24 24 LYS HA H 24 4.392 4.677 -0.285 1
1 290 . 8 1 1 A 24 24 LYS C C 24 174.465 174.915 -0.450 1
1 291 . 8 1 1 A 24 24 LYS CA C 24 55.848 54.520 1.328 1
1 292 . 8 1 1 A 24 24 LYS CB C 24 35.692 35.544 0.148 1
1 296 . 8 1 1 A 24 24 LYS N N 24 120.797 116.311 4.486 1
1 297 . 8 1 1 A 25 25 LYS H H 25 8.657 8.825 -0.168 1
1 298 . 8 1 1 A 25 25 LYS HA H 25 4.178 4.887 -0.709 1
1 307 . 8 1 1 A 25 25 LYS C C 25 177.616 176.764 0.852 1
1 308 . 8 1 1 A 25 25 LYS CA C 25 57.218 54.876 2.342 1
1 309 . 8 1 1 A 25 25 LYS CB C 25 32.846 33.831 -0.985 1
1 313 . 8 1 1 A 25 25 LYS N N 25 126.439 121.151 5.288 1
1 314 . 8 1 1 A 26 26 GLY H H 26 9.728 8.968 0.760 1
1 315 . 8 1 1 A 26 26 GLY HA2 H 26 3.408 4.020 -0.612 1
1 316 . 8 1 1 A 26 26 GLY HA3 H 26 4.120 4.026 0.094 1
1 317 . 8 1 1 A 26 26 GLY C C 26 173.278 172.774 0.504 1
1 318 . 8 1 1 A 26 26 GLY CA C 26 43.709 45.065 -1.356 1
1 319 . 8 1 1 A 26 26 GLY N N 26 110.404 112.170 -1.766 1
1 320 . 8 1 1 A 27 27 ASP H H 27 8.550 8.410 0.140 1
1 321 . 8 1 1 A 27 27 ASP HA H 27 4.401 4.780 -0.379 1
1 324 . 8 1 1 A 27 27 ASP C C 27 175.993 174.778 1.215 1
1 325 . 8 1 1 A 27 27 ASP CA C 27 55.105 52.171 2.934 1
1 326 . 8 1 1 A 27 27 ASP CB C 27 41.688 42.751 -1.063 1
1 327 . 8 1 1 A 27 27 ASP N N 27 121.391 121.074 0.317 1
1 328 . 8 1 1 A 28 28 GLU H H 28 8.419 8.378 0.041 1
1 329 . 8 1 1 A 28 28 GLU HA H 28 4.063 4.171 -0.108 1
1 334 . 8 1 1 A 28 28 GLU C C 28 176.146 176.888 -0.742 1
1 335 . 8 1 1 A 28 28 GLU CA C 28 57.076 58.108 -1.032 1
1 336 . 8 1 1 A 28 28 GLU CB C 28 30.774 30.414 0.360 1
1 338 . 8 1 1 A 28 28 GLU N N 28 120.203 121.393 -1.190 1
1 339 . 8 1 1 A 29 29 GLY H H 29 8.364 8.481 -0.117 1
1 340 . 8 1 1 A 29 29 GLY HA2 H 29 4.758 4.214 0.544 1
1 341 . 8 1 1 A 29 29 GLY HA3 H 29 4.584 4.228 0.356 1
1 342 . 8 1 1 A 29 29 GLY C C 29 175.976 174.936 1.040 1
1 343 . 8 1 1 A 29 29 GLY CA C 29 44.686 45.733 -1.047 1
1 344 . 8 1 1 A 29 29 GLY N N 29 110.404 113.374 -2.970 1
1 345 . 8 1 1 A 30 30 GLU H H 30 8.867 8.197 0.670 1
1 346 . 8 1 1 A 30 30 GLU HA H 30 3.749 3.951 -0.202 1
1 351 . 8 1 1 A 30 30 GLU C C 30 177.872 177.935 -0.063 1
1 352 . 8 1 1 A 30 30 GLU CA C 30 59.045 59.173 -0.128 1
1 353 . 8 1 1 A 30 30 GLU CB C 30 29.030 29.630 -0.600 1
1 355 . 8 1 1 A 30 30 GLU N N 30 125.251 120.953 4.298 1
1 356 . 8 1 1 A 31 31 GLU H H 31 9.842 7.805 2.037 1
1 357 . 8 1 1 A 31 31 GLU HA H 31 4.312 4.488 -0.176 1
1 362 . 8 1 1 A 31 31 GLU C C 31 176.330 176.737 -0.407 1
1 363 . 8 1 1 A 31 31 GLU CA C 31 57.437 55.834 1.603 1
1 364 . 8 1 1 A 31 31 GLU CB C 31 28.040 30.244 -2.204 1
1 366 . 8 1 1 A 31 31 GLU N N 31 118.421 118.368 0.053 1
1 367 . 8 1 1 A 32 32 ASN H H 32 7.731 7.882 -0.151 1
1 368 . 8 1 1 A 32 32 ASN HA H 32 5.127 5.463 -0.336 1
1 373 . 8 1 1 A 32 32 ASN C C 32 172.750 174.007 -1.257 1
1 374 . 8 1 1 A 32 32 ASN CA C 32 54.111 52.491 1.620 1
1 375 . 8 1 1 A 32 32 ASN CB C 32 40.161 39.614 0.547 1
1 376 . 8 1 1 A 32 32 ASN N N 32 116.937 119.051 -2.114 1
1 378 . 8 1 1 A 33 33 ILE H H 33 7.105 8.326 -1.221 1
1 379 . 8 1 1 A 33 33 ILE HA H 33 4.793 4.608 0.185 1
1 389 . 8 1 1 A 33 33 ILE CA C 33 57.895 57.506 0.389 1
1 390 . 8 1 1 A 33 33 ILE CB C 33 40.609 41.256 -0.647 1
1 394 . 8 1 1 A 33 33 ILE N N 33 121.985 125.753 -3.768 1
1 395 . 8 1 1 A 34 34 PRO HA H 34 4.065 4.951 -0.886 1
1 402 . 8 1 1 A 34 34 PRO C C 34 173.754 175.921 -2.167 1
1 403 . 8 1 1 A 34 34 PRO CA C 34 61.962 62.306 -0.344 1
1 404 . 8 1 1 A 34 34 PRO CB C 34 31.877 31.056 0.821 1
1 407 . 8 1 1 A 35 35 LYS H H 35 7.101 8.674 -1.573 1
1 408 . 8 1 1 A 35 35 LYS HA H 35 4.377 4.806 -0.429 1
1 417 . 8 1 1 A 35 35 LYS C C 35 175.712 175.275 0.437 1
1 418 . 8 1 1 A 35 35 LYS CA C 35 53.404 54.620 -1.216 1
1 419 . 8 1 1 A 35 35 LYS CB C 35 35.229 36.267 -1.038 1
1 423 . 8 1 1 A 35 35 LYS N N 35 116.046 123.518 -7.472 1
1 424 . 8 1 1 A 36 36 LYS H H 36 8.144 8.424 -0.280 1
1 425 . 8 1 1 A 36 36 LYS HA H 36 3.515 3.873 -0.358 1
1 434 . 8 1 1 A 36 36 LYS C C 36 176.774 177.340 -0.566 1
1 435 . 8 1 1 A 36 36 LYS CA C 36 58.608 58.233 0.375 1
1 436 . 8 1 1 A 36 36 LYS CB C 36 32.089 32.032 0.057 1
1 440 . 8 1 1 A 36 36 LYS N N 36 120.797 122.160 -1.363 1
1 441 . 8 1 1 A 37 37 GLY H H 37 9.113 8.879 0.234 1
1 442 . 8 1 1 A 37 37 GLY HA2 H 37 3.494 3.999 -0.505 1
1 443 . 8 1 1 A 37 37 GLY HA3 H 37 4.330 4.031 0.299 1
1 444 . 8 1 1 A 37 37 GLY C C 37 175.329 173.803 1.526 1
1 445 . 8 1 1 A 37 37 GLY CA C 37 44.853 45.004 -0.151 1
1 446 . 8 1 1 A 37 37 GLY N N 37 113.967 114.936 -0.969 1
1 447 . 8 1 1 A 38 38 ASN H H 38 8.447 7.558 0.889 1
1 448 . 8 1 1 A 38 38 ASN HA H 38 4.663 5.204 -0.541 1
1 453 . 8 1 1 A 38 38 ASN C C 38 174.878 174.413 0.465 1
1 454 . 8 1 1 A 38 38 ASN CA C 38 53.557 51.917 1.640 1
1 455 . 8 1 1 A 38 38 ASN CB C 38 39.155 41.303 -2.148 1
1 457 . 8 1 1 A 38 38 ASN N N 38 117.828 118.309 -0.481 1
1 459 . 8 1 1 A 39 39 GLU H H 39 8.331 8.606 -0.275 1
1 460 . 8 1 1 A 39 39 GLU HA H 39 4.254 4.241 0.013 1
1 465 . 8 1 1 A 39 39 GLU C C 39 175.656 175.888 -0.232 1
1 466 . 8 1 1 A 39 39 GLU CA C 39 55.804 55.510 0.294 1
1 467 . 8 1 1 A 39 39 GLU CB C 39 31.464 29.807 1.657 1
1 469 . 8 1 1 A 39 39 GLU N N 39 121.094 120.771 0.323 1
1 470 . 8 1 1 A 40 40 VAL H H 40 9.138 8.622 0.516 1
1 471 . 8 1 1 A 40 40 VAL HA H 40 4.699 4.961 -0.262 1
1 479 . 8 1 1 A 40 40 VAL C C 40 173.240 174.839 -1.599 1
1 480 . 8 1 1 A 40 40 VAL CA C 40 59.559 60.632 -1.073 1
1 481 . 8 1 1 A 40 40 VAL CB C 40 32.896 33.639 -0.743 1
1 484 . 8 1 1 A 40 40 VAL N N 40 125.845 119.161 6.684 1
1 485 . 8 1 1 A 41 41 THR H H 41 8.328 9.302 -0.974 1
1 486 . 8 1 1 A 41 41 THR HA H 41 4.982 4.998 -0.016 1
1 491 . 8 1 1 A 41 41 THR C C 41 174.455 173.989 0.466 1
1 492 . 8 1 1 A 41 41 THR CA C 41 61.964 62.111 -0.147 1
1 493 . 8 1 1 A 41 41 THR CB C 41 69.623 69.482 0.141 1
1 495 . 8 1 1 A 41 41 THR N N 41 117.531 121.356 -3.825 1
1 496 . 8 1 1 A 42 42 VAL H H 42 9.581 8.394 1.187 1
1 497 . 8 1 1 A 42 42 VAL HA H 42 5.669 5.328 0.341 1
1 505 . 8 1 1 A 42 42 VAL C C 42 174.919 173.764 1.155 1
1 506 . 8 1 1 A 42 42 VAL CA C 42 57.930 59.118 -1.188 1
1 507 . 8 1 1 A 42 42 VAL CB C 42 35.321 34.583 0.738 1
1 510 . 8 1 1 A 42 42 VAL N N 42 117.828 120.692 -2.864 1
1 511 . 8 1 1 A 43 43 HIS H H 43 8.333 8.977 -0.644 1
1 512 . 8 1 1 A 43 43 HIS HA H 43 5.407 5.206 0.201 1
1 515 . 8 1 1 A 43 43 HIS C C 43 176.136 173.762 2.374 1
1 516 . 8 1 1 A 43 43 HIS CA C 43 54.147 54.822 -0.675 1
1 517 . 8 1 1 A 43 43 HIS CB C 43 35.339 33.057 2.282 1
1 518 . 8 1 1 A 43 43 HIS N N 43 119.906 125.006 -5.100 1
1 519 . 8 1 1 A 44 44 TYR H H 44 9.622 8.515 1.107 1
1 520 . 8 1 1 A 44 44 TYR HA H 44 6.247 6.128 0.119 1
1 527 . 8 1 1 A 44 44 TYR C C 44 172.857 173.361 -0.504 1
1 528 . 8 1 1 A 44 44 TYR CA C 44 56.304 55.040 1.264 1
1 529 . 8 1 1 A 44 44 TYR CB C 44 43.537 42.357 1.180 1
1 530 . 8 1 1 A 44 44 TYR N N 44 117.234 121.355 -4.121 1
1 531 . 8 1 1 A 45 45 VAL H H 45 8.735 8.438 0.297 1
1 532 . 8 1 1 A 45 45 VAL HA H 45 4.520 4.703 -0.183 1
1 540 . 8 1 1 A 45 45 VAL C C 45 175.200 174.715 0.485 1
1 541 . 8 1 1 A 45 45 VAL CA C 45 62.212 60.249 1.963 1
1 542 . 8 1 1 A 45 45 VAL CB C 45 35.550 34.645 0.905 1
1 545 . 8 1 1 A 45 45 VAL N N 45 118.125 119.303 -1.178 1
1 546 . 8 1 1 A 46 46 GLY H H 46 9.126 8.389 0.737 1
1 547 . 8 1 1 A 46 46 GLY HA2 H 46 4.539 4.237 0.302 1
1 548 . 8 1 1 A 46 46 GLY HA3 H 46 4.506 4.358 0.148 1
1 549 . 8 1 1 A 46 46 GLY C C 46 170.771 171.635 -0.864 1
1 550 . 8 1 1 A 46 46 GLY CA C 46 45.601 46.189 -0.588 1
1 551 . 8 1 1 A 46 46 GLY N N 46 114.858 112.259 2.599 1
1 552 . 8 1 1 A 47 47 LYS H H 47 9.121 8.158 0.963 1
1 553 . 8 1 1 A 47 47 LYS HA H 47 5.176 3.816 1.360 1
1 562 . 8 1 1 A 47 47 LYS C C 47 175.830 174.111 1.719 1
1 563 . 8 1 1 A 47 47 LYS CA C 47 53.937 54.218 -0.281 1
1 564 . 8 1 1 A 47 47 LYS CB C 47 37.021 35.391 1.630 1
1 568 . 8 1 1 A 47 47 LYS N N 47 123.469 118.933 4.536 1
1 569 . 8 1 1 A 48 48 LEU H H 48 8.016 9.017 -1.001 1
1 570 . 8 1 1 A 48 48 LEU HA H 48 4.692 4.502 0.190 1
1 580 . 8 1 1 A 48 48 LEU C C 48 178.031 176.574 1.457 1
1 581 . 8 1 1 A 48 48 LEU CA C 48 54.231 54.433 -0.202 1
1 582 . 8 1 1 A 48 48 LEU CB C 48 41.678 41.527 0.151 1
1 586 . 8 1 1 A 48 48 LEU N N 48 121.391 122.975 -1.584 1
1 587 . 8 1 1 A 49 49 GLU H H 49 8.085 8.608 -0.523 1
1 588 . 8 1 1 A 49 49 GLU HA H 49 3.835 3.858 -0.023 1
1 593 . 8 1 1 A 49 49 GLU C C 49 178.118 178.114 0.004 1
1 594 . 8 1 1 A 49 49 GLU CA C 49 59.974 59.365 0.609 1
1 595 . 8 1 1 A 49 49 GLU CB C 49 30.322 29.222 1.100 1
1 597 . 8 1 1 A 49 49 GLU N N 49 124.954 127.323 -2.369 1
1 598 . 8 1 1 A 50 50 SER H H 50 9.220 7.975 1.245 1
1 599 . 8 1 1 A 50 50 SER HA H 50 4.154 4.269 -0.115 1
1 602 . 8 1 1 A 50 50 SER C C 50 176.751 175.502 1.249 1
1 603 . 8 1 1 A 50 50 SER CA C 50 60.230 60.846 -0.616 1
1 604 . 8 1 1 A 50 50 SER CB C 50 62.229 63.203 -0.974 1
1 605 . 8 1 1 A 50 50 SER N N 50 112.186 114.915 -2.729 1
1 606 . 8 1 1 A 51 51 THR H H 51 6.784 7.795 -1.011 1
1 607 . 8 1 1 A 51 51 THR HA H 51 4.520 4.650 -0.130 1
1 612 . 8 1 1 A 51 51 THR C C 51 176.342 174.988 1.354 1
1 613 . 8 1 1 A 51 51 THR CA C 51 60.760 61.546 -0.786 1
1 614 . 8 1 1 A 51 51 THR CB C 51 71.046 70.214 0.832 1
1 616 . 8 1 1 A 51 51 THR N N 51 105.653 113.226 -7.573 1
1 617 . 8 1 1 A 52 52 GLY H H 52 8.296 8.118 0.178 1
1 618 . 8 1 1 A 52 52 GLY HA2 H 52 3.680 3.913 -0.233 1
1 619 . 8 1 1 A 52 52 GLY HA3 H 52 4.096 3.922 0.174 1
1 620 . 8 1 1 A 52 52 GLY C C 52 173.336 174.565 -1.229 1
1 621 . 8 1 1 A 52 52 GLY CA C 52 45.711 45.675 0.036 1
1 622 . 8 1 1 A 52 52 GLY N N 52 112.483 111.000 1.483 1
1 623 . 8 1 1 A 53 53 LYS H H 53 7.479 7.519 -0.040 1
1 624 . 8 1 1 A 53 53 LYS HA H 53 4.218 4.293 -0.075 1
1 633 . 8 1 1 A 53 53 LYS C C 53 176.513 175.768 0.745 1
1 634 . 8 1 1 A 53 53 LYS CA C 53 56.217 55.979 0.238 1
1 635 . 8 1 1 A 53 53 LYS CB C 53 33.430 32.350 1.080 1
1 639 . 8 1 1 A 53 53 LYS N N 53 119.609 120.569 -0.960 1
1 640 . 8 1 1 A 54 54 VAL H H 54 8.511 8.357 0.154 1
1 641 . 8 1 1 A 54 54 VAL HA H 54 4.244 4.097 0.147 1
1 649 . 8 1 1 A 54 54 VAL C C 54 176.879 176.163 0.716 1
1 650 . 8 1 1 A 54 54 VAL CA C 54 62.409 62.523 -0.114 1
1 651 . 8 1 1 A 54 54 VAL CB C 54 32.697 32.707 -0.010 1
1 654 . 8 1 1 A 54 54 VAL N N 54 126.109 126.113 -0.004 1
1 655 . 8 1 1 A 55 55 PHE H H 55 8.325 8.728 -0.403 1
1 656 . 8 1 1 A 55 55 PHE HA H 55 5.036 4.855 0.181 1
1 664 . 8 1 1 A 55 55 PHE C C 55 174.856 174.890 -0.034 1
1 665 . 8 1 1 A 55 55 PHE CA C 55 55.758 57.735 -1.977 1
1 666 . 8 1 1 A 55 55 PHE CB C 55 40.399 38.842 1.557 1
1 667 . 8 1 1 A 55 55 PHE N N 55 124.063 126.505 -2.442 1
1 668 . 8 1 1 A 56 56 ASP H H 56 6.884 8.993 -2.109 1
1 669 . 8 1 1 A 56 56 ASP HA H 56 4.801 5.486 -0.685 1
1 672 . 8 1 1 A 56 56 ASP C C 56 173.688 174.417 -0.729 1
1 673 . 8 1 1 A 56 56 ASP CA C 56 54.956 52.980 1.976 1
1 674 . 8 1 1 A 56 56 ASP CB C 56 43.616 41.418 2.198 1
1 675 . 8 1 1 A 56 56 ASP N N 56 120.500 124.213 -3.713 1
1 676 . 8 1 1 A 57 57 SER H H 57 8.038 8.727 -0.689 1
1 677 . 8 1 1 A 57 57 SER HA H 57 4.796 4.983 -0.187 1
1 680 . 8 1 1 A 57 57 SER C C 57 174.997 174.685 0.312 1
1 681 . 8 1 1 A 57 57 SER CA C 57 55.792 57.251 -1.459 1
1 682 . 8 1 1 A 57 57 SER CB C 57 64.961 67.052 -2.091 1
1 683 . 8 1 1 A 57 57 SER N N 57 118.421 120.092 -1.671 1
1 684 . 8 1 1 A 58 58 SER H H 58 8.429 8.451 -0.022 1
1 685 . 8 1 1 A 58 58 SER HA H 58 4.080 3.974 0.106 1
1 688 . 8 1 1 A 58 58 SER C C 58 177.399 176.493 0.906 1
1 689 . 8 1 1 A 58 58 SER CA C 58 61.499 61.245 0.254 1
1 690 . 8 1 1 A 58 58 SER CB C 58 65.069 62.001 3.068 1
1 691 . 8 1 1 A 58 58 SER N N 58 123.766 117.418 6.348 1
1 692 . 8 1 1 A 59 59 PHE H H 59 7.276 7.356 -0.080 1
1 693 . 8 1 1 A 59 59 PHE HA H 59 3.851 4.282 -0.431 1
1 701 . 8 1 1 A 59 59 PHE C C 59 178.929 178.175 0.754 1
1 702 . 8 1 1 A 59 59 PHE CA C 59 61.010 61.505 -0.495 1
1 703 . 8 1 1 A 59 59 PHE CB C 59 38.129 38.541 -0.412 1
1 704 . 8 1 1 A 59 59 PHE N N 59 121.845 118.653 3.192 1
1 705 . 8 1 1 A 60 60 ASP H H 60 7.534 8.579 -1.045 1
1 706 . 8 1 1 A 60 60 ASP HA H 60 4.343 4.328 0.015 1
1 709 . 8 1 1 A 60 60 ASP C C 60 177.295 177.958 -0.663 1
1 710 . 8 1 1 A 60 60 ASP CA C 60 56.921 57.431 -0.510 1
1 711 . 8 1 1 A 60 60 ASP CB C 60 40.298 40.255 0.043 1
1 712 . 8 1 1 A 60 60 ASP N N 60 119.015 118.181 0.834 1
1 713 . 8 1 1 A 61 61 ARG H H 61 7.224 7.656 -0.432 1
1 714 . 8 1 1 A 61 61 ARG HA H 61 4.378 4.255 0.123 1
1 721 . 8 1 1 A 61 61 ARG C C 61 175.798 178.059 -2.261 1
1 722 . 8 1 1 A 61 61 ARG CA C 61 55.209 57.645 -2.436 1
1 723 . 8 1 1 A 61 61 ARG CB C 61 32.610 30.740 1.870 1
1 726 . 8 1 1 A 61 61 ARG N N 61 115.452 117.752 -2.300 1
1 727 . 8 1 1 A 62 62 ASN H H 62 7.946 8.645 -0.699 1
1 728 . 8 1 1 A 62 62 ASN HA H 62 4.392 4.893 -0.501 1
1 733 . 8 1 1 A 62 62 ASN C C 62 173.776 174.976 -1.200 1
1 734 . 8 1 1 A 62 62 ASN CA C 62 54.269 54.727 -0.458 1
1 735 . 8 1 1 A 62 62 ASN CB C 62 38.597 39.770 -1.173 1
1 737 . 8 1 1 A 62 62 ASN N N 62 115.196 118.440 -3.244 1
1 739 . 8 1 1 A 63 63 VAL H H 63 7.278 7.677 -0.399 1
1 740 . 8 1 1 A 63 63 VAL HA H 63 4.628 4.369 0.259 1
1 748 . 8 1 1 A 63 63 VAL CA C 63 62.601 60.478 2.123 1
1 749 . 8 1 1 A 63 63 VAL CB C 63 35.186 32.257 2.929 1
1 752 . 8 1 1 A 63 63 VAL N N 63 115.155 115.403 -0.248 1
1 753 . 8 1 1 A 64 64 PRO HA H 64 4.516 4.937 -0.421 1
1 760 . 8 1 1 A 64 64 PRO C C 64 174.254 175.914 -1.660 1
1 761 . 8 1 1 A 64 64 PRO CA C 64 62.601 62.401 0.200 1
1 762 . 8 1 1 A 64 64 PRO CB C 64 31.977 31.445 0.532 1
1 765 . 8 1 1 A 65 65 PHE H H 65 9.109 8.962 0.147 1
1 766 . 8 1 1 A 65 65 PHE HA H 65 4.821 4.996 -0.175 1
1 774 . 8 1 1 A 65 65 PHE C C 65 173.320 174.729 -1.409 1
1 775 . 8 1 1 A 65 65 PHE CA C 65 57.292 57.974 -0.682 1
1 776 . 8 1 1 A 65 65 PHE CB C 65 42.894 41.200 1.694 1
1 777 . 8 1 1 A 65 65 PHE N N 65 123.469 123.503 -0.034 1
1 778 . 8 1 1 A 66 66 LYS H H 66 7.474 8.260 -0.786 1
1 779 . 8 1 1 A 66 66 LYS HA H 66 5.378 5.307 0.071 1
1 788 . 8 1 1 A 66 66 LYS C C 66 175.026 174.298 0.728 1
1 789 . 8 1 1 A 66 66 LYS CA C 66 53.876 54.348 -0.472 1
1 790 . 8 1 1 A 66 66 LYS CB C 66 35.471 37.292 -1.821 1
1 794 . 8 1 1 A 66 66 LYS N N 66 125.548 123.292 2.256 1
1 795 . 8 1 1 A 67 67 PHE H H 67 8.114 8.203 -0.089 1
1 796 . 8 1 1 A 67 67 PHE HA H 67 4.469 4.985 -0.516 1
1 804 . 8 1 1 A 67 67 PHE C C 67 172.049 172.182 -0.133 1
1 805 . 8 1 1 A 67 67 PHE CA C 67 55.662 55.616 0.046 1
1 806 . 8 1 1 A 67 67 PHE CB C 67 40.087 41.261 -1.174 1
1 807 . 8 1 1 A 67 67 PHE N N 67 115.419 116.601 -1.182 1
1 808 . 8 1 1 A 68 68 HIS H H 68 8.983 8.834 0.149 1
1 809 . 8 1 1 A 68 68 HIS HA H 68 5.482 5.268 0.214 1
1 812 . 8 1 1 A 68 68 HIS C C 68 174.742 174.582 0.160 1
1 813 . 8 1 1 A 68 68 HIS CA C 68 55.348 54.123 1.225 1
1 814 . 8 1 1 A 68 68 HIS CB C 68 28.470 32.767 -4.297 1
1 815 . 8 1 1 A 68 68 HIS N N 68 118.421 116.290 2.131 1
1 816 . 8 1 1 A 69 69 LEU H H 69 8.317 8.667 -0.350 1
1 817 . 8 1 1 A 69 69 LEU HA H 69 4.016 4.283 -0.267 1
1 827 . 8 1 1 A 69 69 LEU CA C 69 56.060 56.062 -0.002 1
1 828 . 8 1 1 A 69 69 LEU CB C 69 42.903 42.107 0.796 1
1 832 . 8 1 1 A 69 69 LEU N N 69 126.736 125.150 1.586 1
1 833 . 8 1 1 A 70 70 GLU H H 70 9.618 9.198 0.420 1
1 834 . 8 1 1 A 70 70 GLU HA H 70 3.847 3.938 -0.091 1
1 839 . 8 1 1 A 70 70 GLU C C 70 174.818 176.428 -1.610 1
1 840 . 8 1 1 A 70 70 GLU CA C 70 58.625 57.491 1.134 1
1 841 . 8 1 1 A 70 70 GLU CB C 70 27.456 26.873 0.583 1
1 843 . 8 1 1 A 70 70 GLU N N 70 124.954 122.672 2.282 1
1 844 . 8 1 1 A 71 71 GLN H H 71 8.248 7.739 0.509 1
1 845 . 8 1 1 A 71 71 GLN HA H 71 4.678 4.464 0.214 1
1 852 . 8 1 1 A 71 71 GLN CA C 71 54.218 56.068 -1.850 1
1 853 . 8 1 1 A 71 71 GLN CB C 71 30.422 29.319 1.103 1
1 856 . 8 1 1 A 71 71 GLN N N 71 114.858 118.537 -3.679 1
1 858 . 8 1 1 A 72 72 GLY H H 72 8.362 8.002 0.360 1
1 859 . 8 1 1 A 72 72 GLY HA2 H 72 4.145 4.045 0.100 1
1 860 . 8 1 1 A 72 72 GLY HA3 H 72 4.059 4.075 -0.016 1
1 861 . 8 1 1 A 72 72 GLY C C 72 175.783 175.336 0.447 1
1 862 . 8 1 1 A 72 72 GLY CA C 72 46.838 45.394 1.444 1
1 863 . 8 1 1 A 72 72 GLY N N 72 110.404 107.868 2.536 1
1 864 . 8 1 1 A 73 73 GLU H H 73 9.085 8.161 0.924 1
1 865 . 8 1 1 A 73 73 GLU HA H 73 4.187 4.229 -0.042 1
1 870 . 8 1 1 A 73 73 GLU C C 73 175.522 175.681 -0.159 1
1 871 . 8 1 1 A 73 73 GLU CA C 73 57.443 56.283 1.160 1
1 872 . 8 1 1 A 73 73 GLU CB C 73 31.378 30.625 0.753 1
1 874 . 8 1 1 A 73 73 GLU N N 73 118.421 117.346 1.075 1
1 875 . 8 1 1 A 74 74 VAL H H 74 6.862 7.403 -0.541 1
1 876 . 8 1 1 A 74 74 VAL HA H 74 4.281 4.462 -0.181 1
1 884 . 8 1 1 A 74 74 VAL C C 74 175.773 175.188 0.585 1
1 885 . 8 1 1 A 74 74 VAL CA C 74 57.468 59.852 -2.384 1
1 886 . 8 1 1 A 74 74 VAL CB C 74 36.344 34.786 1.558 1
1 889 . 8 1 1 A 74 74 VAL N N 74 108.919 113.321 -4.402 1
1 890 . 8 1 1 A 75 75 ILE H H 75 7.462 9.061 -1.599 1
1 891 . 8 1 1 A 75 75 ILE HA H 75 3.844 4.236 -0.392 1
1 901 . 8 1 1 A 75 75 ILE C C 75 177.618 177.066 0.552 1
1 902 . 8 1 1 A 75 75 ILE CA C 75 62.213 62.372 -0.159 1
1 903 . 8 1 1 A 75 75 ILE CB C 75 37.337 38.244 -0.907 1
1 907 . 8 1 1 A 75 75 ILE N N 75 113.373 123.708 -10.335 1
1 908 . 8 1 1 A 76 76 LYS H H 76 9.047 8.066 0.981 1
1 909 . 8 1 1 A 76 76 LYS HA H 76 4.282 4.539 -0.257 1
1 918 . 8 1 1 A 76 76 LYS C C 76 180.009 178.145 1.864 1
1 919 . 8 1 1 A 76 76 LYS CA C 76 59.482 57.045 2.437 1
1 920 . 8 1 1 A 76 76 LYS CB C 76 32.740 35.068 -2.328 1
1 924 . 8 1 1 A 76 76 LYS N N 76 124.954 120.967 3.987 1
1 925 . 8 1 1 A 77 77 GLY H H 77 9.775 8.236 1.539 1
1 926 . 8 1 1 A 77 77 GLY HA2 H 77 3.786 3.335 0.451 1
1 927 . 8 1 1 A 77 77 GLY HA3 H 77 3.618 3.472 0.146 1
1 928 . 8 1 1 A 77 77 GLY C C 77 175.261 176.559 -1.298 1
1 929 . 8 1 1 A 77 77 GLY CA C 77 47.402 47.119 0.283 1
1 930 . 8 1 1 A 77 77 GLY N N 77 101.199 108.128 -6.929 1
1 931 . 8 1 1 A 78 78 TRP H H 78 7.817 7.998 -0.181 1
1 932 . 8 1 1 A 78 78 TRP HA H 78 4.017 4.869 -0.852 1
1 940 . 8 1 1 A 78 78 TRP C C 78 177.610 178.055 -0.445 1
1 941 . 8 1 1 A 78 78 TRP CA C 78 61.524 60.329 1.195 1
1 942 . 8 1 1 A 78 78 TRP CB C 78 28.655 29.489 -0.834 1
1 943 . 8 1 1 A 78 78 TRP N N 78 120.203 122.470 -2.267 1
1 944 . 8 1 1 A 79 79 ASP H H 79 6.967 8.377 -1.410 1
1 945 . 8 1 1 A 79 79 ASP HA H 79 4.738 4.450 0.288 1
1 948 . 8 1 1 A 79 79 ASP C C 79 179.125 179.023 0.102 1
1 949 . 8 1 1 A 79 79 ASP CA C 79 58.492 57.672 0.820 1
1 950 . 8 1 1 A 79 79 ASP CB C 79 41.181 41.818 -0.637 1
1 951 . 8 1 1 A 79 79 ASP N N 79 121.688 120.128 1.560 1
1 952 . 8 1 1 A 80 80 ILE H H 80 8.173 7.568 0.605 1
1 953 . 8 1 1 A 80 80 ILE HA H 80 3.617 3.767 -0.150 1
1 963 . 8 1 1 A 80 80 ILE C C 80 177.849 178.142 -0.293 1
1 964 . 8 1 1 A 80 80 ILE CA C 80 64.758 64.397 0.361 1
1 965 . 8 1 1 A 80 80 ILE CB C 80 39.198 37.232 1.966 1
1 969 . 8 1 1 A 80 80 ILE N N 80 118.125 118.898 -0.773 1
1 970 . 8 1 1 A 81 81 CYS H H 81 7.961 8.110 -0.149 1
1 971 . 8 1 1 A 81 81 CYS HA H 81 4.456 4.199 0.257 1
1 974 . 8 1 1 A 81 81 CYS C C 81 178.812 176.838 1.974 1
1 975 . 8 1 1 A 81 81 CYS CA C 81 63.059 62.127 0.932 1
1 976 . 8 1 1 A 81 81 CYS CB C 81 27.732 27.171 0.561 1
1 977 . 8 1 1 A 81 81 CYS N N 81 116.937 120.898 -3.961 1
1 978 . 8 1 1 A 82 82 VAL H H 82 9.434 8.039 1.395 1
1 979 . 8 1 1 A 82 82 VAL HA H 82 3.476 3.806 -0.330 1
1 987 . 8 1 1 A 82 82 VAL C C 82 176.456 178.097 -1.641 1
1 988 . 8 1 1 A 82 82 VAL CA C 82 66.977 65.240 1.737 1
1 989 . 8 1 1 A 82 82 VAL CB C 82 30.171 31.675 -1.504 1
1 992 . 8 1 1 A 82 82 VAL N N 82 121.688 118.706 2.982 1
1 993 . 8 1 1 A 83 83 SER H H 83 7.541 8.235 -0.694 1
1 994 . 8 1 1 A 83 83 SER HA H 83 3.964 4.408 -0.444 1
1 997 . 8 1 1 A 83 83 SER C C 83 173.661 175.231 -1.570 1
1 998 . 8 1 1 A 83 83 SER CA C 83 61.551 61.947 -0.396 1
1 999 . 8 1 1 A 83 83 SER CB C 83 63.239 62.994 0.245 1
1 1000 . 8 1 1 A 83 83 SER N N 83 111.889 117.516 -5.627 1
1 1001 . 8 1 1 A 84 84 SER H H 84 7.471 7.478 -0.007 1
1 1002 . 8 1 1 A 84 84 SER HA H 84 4.530 4.572 -0.042 1
1 1005 . 8 1 1 A 84 84 SER C C 84 174.314 172.911 1.403 1
1 1006 . 8 1 1 A 84 84 SER CA C 84 58.440 57.072 1.368 1
1 1007 . 8 1 1 A 84 84 SER CB C 84 65.929 61.447 4.482 1
1 1008 . 8 1 1 A 84 84 SER N N 84 114.264 114.285 -0.021 1
1 1009 . 8 1 1 A 85 85 MET H H 85 7.441 7.815 -0.374 1
1 1010 . 8 1 1 A 85 85 MET HA H 85 4.262 5.326 -1.064 1
1 1015 . 8 1 1 A 85 85 MET C C 85 172.768 174.454 -1.686 1
1 1016 . 8 1 1 A 85 85 MET CA C 85 56.502 53.810 2.692 1
1 1017 . 8 1 1 A 85 85 MET CB C 85 36.378 37.335 -0.957 1
1 1019 . 8 1 1 A 85 85 MET N N 85 124.657 122.299 2.358 1
1 1020 . 8 1 1 A 86 86 ARG H H 86 7.045 8.417 -1.372 1
1 1021 . 8 1 1 A 86 86 ARG HA H 86 4.879 4.633 0.246 1
1 1028 . 8 1 1 A 86 86 ARG C C 86 177.468 176.189 1.279 1
1 1029 . 8 1 1 A 86 86 ARG CA C 86 53.395 53.640 -0.245 1
1 1030 . 8 1 1 A 86 86 ARG CB C 86 33.244 34.122 -0.878 1
1 1033 . 8 1 1 A 86 86 ARG N N 86 114.264 119.065 -4.801 1
1 1034 . 8 1 1 A 87 87 LYS H H 87 8.818 8.617 0.201 1
1 1035 . 8 1 1 A 87 87 LYS HA H 87 3.554 3.812 -0.258 1
1 1044 . 8 1 1 A 87 87 LYS C C 87 175.382 177.064 -1.682 1
1 1045 . 8 1 1 A 87 87 LYS CA C 87 60.175 58.675 1.500 1
1 1046 . 8 1 1 A 87 87 LYS CB C 87 33.195 32.464 0.731 1
1 1050 . 8 1 1 A 87 87 LYS N N 87 121.391 123.182 -1.791 1
1 1051 . 8 1 1 A 88 88 ASN H H 88 8.943 7.690 1.253 1
1 1052 . 8 1 1 A 88 88 ASN HA H 88 4.291 4.977 -0.686 1
1 1057 . 8 1 1 A 88 88 ASN C C 88 174.124 174.097 0.027 1
1 1058 . 8 1 1 A 88 88 ASN CA C 88 56.703 52.966 3.737 1
1 1059 . 8 1 1 A 88 88 ASN CB C 88 36.677 39.891 -3.214 1
1 1060 . 8 1 1 A 88 88 ASN N N 88 116.640 114.576 2.064 1
1 1062 . 8 1 1 A 89 89 GLU H H 89 8.677 7.748 0.929 1
1 1063 . 8 1 1 A 89 89 GLU HA H 89 4.358 4.936 -0.578 1
1 1068 . 8 1 1 A 89 89 GLU C C 89 174.903 174.763 0.140 1
1 1069 . 8 1 1 A 89 89 GLU CA C 89 56.190 55.265 0.925 1
1 1070 . 8 1 1 A 89 89 GLU CB C 89 33.096 32.659 0.437 1
1 1072 . 8 1 1 A 89 89 GLU N N 89 122.876 121.175 1.701 1
1 1073 . 8 1 1 A 90 90 LYS H H 90 8.580 8.558 0.022 1
1 1074 . 8 1 1 A 90 90 LYS HA H 90 5.542 4.918 0.624 1
1 1083 . 8 1 1 A 90 90 LYS C C 90 175.593 174.688 0.905 1
1 1084 . 8 1 1 A 90 90 LYS CA C 90 54.210 55.780 -1.570 1
1 1085 . 8 1 1 A 90 90 LYS CB C 90 36.189 35.735 0.454 1
1 1089 . 8 1 1 A 90 90 LYS N N 90 123.469 124.263 -0.794 1
1 1090 . 8 1 1 A 91 91 CYS H H 91 9.673 8.842 0.831 1
1 1091 . 8 1 1 A 91 91 CYS HA H 91 5.524 5.230 0.294 1
1 1094 . 8 1 1 A 91 91 CYS C C 91 170.527 173.062 -2.535 1
1 1095 . 8 1 1 A 91 91 CYS CA C 91 54.690 57.476 -2.786 1
1 1096 . 8 1 1 A 91 91 CYS CB C 91 32.542 32.368 0.174 1
1 1097 . 8 1 1 A 91 91 CYS N N 91 122.579 123.989 -1.410 1
1 1098 . 8 1 1 A 92 92 LEU H H 92 8.984 8.696 0.288 1
1 1099 . 8 1 1 A 92 92 LEU HA H 92 5.458 5.046 0.412 1
1 1109 . 8 1 1 A 92 92 LEU C C 92 175.596 175.344 0.252 1
1 1110 . 8 1 1 A 92 92 LEU CA C 92 53.413 53.516 -0.103 1
1 1111 . 8 1 1 A 92 92 LEU CB C 92 44.972 42.927 2.045 1
1 1115 . 8 1 1 A 92 92 LEU N N 92 122.282 123.163 -0.881 1
1 1116 . 8 1 1 A 93 93 VAL H H 93 10.107 8.820 1.287 1
1 1117 . 8 1 1 A 93 93 VAL HA H 93 5.506 4.758 0.748 1
1 1125 . 8 1 1 A 93 93 VAL C C 93 171.051 173.883 -2.832 1
1 1126 . 8 1 1 A 93 93 VAL CA C 93 58.200 59.953 -1.753 1
1 1127 . 8 1 1 A 93 93 VAL CB C 93 35.276 34.095 1.181 1
1 1130 . 8 1 1 A 93 93 VAL N N 93 126.224 125.956 0.268 1
1 1131 . 8 1 1 A 94 94 ARG H H 94 8.949 8.985 -0.036 1
1 1132 . 8 1 1 A 94 94 ARG HA H 94 5.133 4.805 0.328 1
1 1139 . 8 1 1 A 94 94 ARG C C 94 175.823 175.147 0.676 1
1 1140 . 8 1 1 A 94 94 ARG CA C 94 56.219 54.856 1.363 1
1 1141 . 8 1 1 A 94 94 ARG CB C 94 32.039 31.199 0.840 1
1 1144 . 8 1 1 A 94 94 ARG N N 94 130.596 127.488 3.108 1
1 1145 . 8 1 1 A 95 95 ILE H H 95 9.655 9.285 0.370 1
1 1146 . 8 1 1 A 95 95 ILE HA H 95 4.899 4.694 0.205 1
1 1156 . 8 1 1 A 95 95 ILE C C 95 175.215 175.169 0.046 1
1 1157 . 8 1 1 A 95 95 ILE CA C 95 60.582 60.389 0.193 1
1 1158 . 8 1 1 A 95 95 ILE CB C 95 37.359 38.176 -0.817 1
1 1162 . 8 1 1 A 95 95 ILE N N 95 129.905 125.963 3.942 1
1 1163 . 8 1 1 A 96 96 GLU H H 96 9.213 8.959 0.254 1
1 1164 . 8 1 1 A 96 96 GLU HA H 96 4.320 4.396 -0.076 1
1 1169 . 8 1 1 A 96 96 GLU C C 96 177.897 177.314 0.583 1
1 1170 . 8 1 1 A 96 96 GLU CA C 96 57.568 55.193 2.375 1
1 1171 . 8 1 1 A 96 96 GLU CB C 96 29.676 31.344 -1.668 1
1 1173 . 8 1 1 A 96 96 GLU N N 96 126.439 128.755 -2.316 1
1 1174 . 8 1 1 A 97 97 SER H H 97 8.693 8.638 0.055 1
1 1175 . 8 1 1 A 97 97 SER HA H 97 4.370 4.102 0.268 1
1 1178 . 8 1 1 A 97 97 SER C C 97 178.668 175.794 2.874 1
1 1179 . 8 1 1 A 97 97 SER CA C 97 62.800 61.442 1.358 1
1 1180 . 8 1 1 A 97 97 SER CB C 97 64.591 62.886 1.705 1
1 1181 . 8 1 1 A 97 97 SER N N 97 115.749 119.390 -3.641 1
1 1182 . 8 1 1 A 98 98 MET H H 98 8.937 8.051 0.886 1
1 1183 . 8 1 1 A 98 98 MET HA H 98 4.170 4.222 -0.052 1
1 1188 . 8 1 1 A 98 98 MET C C 98 179.250 176.107 3.143 1
1 1189 . 8 1 1 A 98 98 MET CA C 98 58.702 56.902 1.800 1
1 1190 . 8 1 1 A 98 98 MET CB C 98 31.047 31.938 -0.891 1
1 1192 . 8 1 1 A 98 98 MET N N 98 121.985 118.684 3.301 1
1 1193 . 8 1 1 A 99 99 TYR H H 99 7.927 7.812 0.115 1
1 1194 . 8 1 1 A 99 99 TYR HA H 99 4.435 4.676 -0.241 1
1 1201 . 8 1 1 A 99 99 TYR C C 99 173.125 175.513 -2.388 1
1 1202 . 8 1 1 A 99 99 TYR CA C 99 58.064 57.962 0.102 1
1 1203 . 8 1 1 A 99 99 TYR CB C 99 39.570 39.126 0.444 1
1 1204 . 8 1 1 A 99 99 TYR N N 99 116.640 117.904 -1.264 1
1 1205 . 8 1 1 A 100 100 GLY H H 100 7.802 7.909 -0.107 1
1 1206 . 8 1 1 A 100 100 GLY HA2 H 100 3.223 4.130 -0.907 1
1 1207 . 8 1 1 A 100 100 GLY HA3 H 100 4.309 4.132 0.177 1
1 1208 . 8 1 1 A 100 100 GLY C C 100 173.213 174.353 -1.140 1
1 1209 . 8 1 1 A 100 100 GLY CA C 100 45.062 43.876 1.186 1
1 1210 . 8 1 1 A 100 100 GLY N N 100 110.998 108.193 2.805 1
1 1211 . 8 1 1 A 101 101 TYR H H 101 9.407 8.860 0.547 1
1 1212 . 8 1 1 A 101 101 TYR HA H 101 4.443 4.777 -0.334 1
1 1219 . 8 1 1 A 101 101 TYR C C 101 176.014 177.027 -1.013 1
1 1220 . 8 1 1 A 101 101 TYR CA C 101 58.944 58.536 0.408 1
1 1221 . 8 1 1 A 101 101 TYR CB C 101 37.732 37.982 -0.250 1
1 1222 . 8 1 1 A 101 101 TYR N N 101 126.439 118.931 7.508 1
1 1223 . 8 1 1 A 102 102 GLY H H 102 8.231 8.407 -0.176 1
1 1224 . 8 1 1 A 102 102 GLY HA2 H 102 4.001 3.824 0.177 1
1 1225 . 8 1 1 A 102 102 GLY HA3 H 102 3.715 3.856 -0.141 1
1 1226 . 8 1 1 A 102 102 GLY C C 102 175.685 175.522 0.163 1
1 1227 . 8 1 1 A 102 102 GLY CA C 102 46.447 47.170 -0.723 1
1 1228 . 8 1 1 A 102 102 GLY N N 102 107.138 109.368 -2.230 1
1 1229 . 8 1 1 A 103 103 ASP H H 103 8.983 8.339 0.644 1
1 1230 . 8 1 1 A 103 103 ASP HA H 103 4.277 4.272 0.005 1
1 1233 . 8 1 1 A 103 103 ASP C C 103 176.677 178.996 -2.319 1
1 1234 . 8 1 1 A 103 103 ASP CA C 103 56.352 57.325 -0.973 1
1 1235 . 8 1 1 A 103 103 ASP CB C 103 40.640 41.757 -1.117 1
1 1236 . 8 1 1 A 103 103 ASP N N 103 124.954 121.992 2.962 1
1 1237 . 8 1 1 A 104 104 GLU H H 104 8.552 8.053 0.499 1
1 1238 . 8 1 1 A 104 104 GLU HA H 104 4.139 4.317 -0.178 1
1 1243 . 8 1 1 A 104 104 GLU C C 104 179.142 176.634 2.508 1
1 1244 . 8 1 1 A 104 104 GLU CA C 104 58.100 58.186 -0.086 1
1 1245 . 8 1 1 A 104 104 GLU CB C 104 30.076 30.369 -0.293 1
1 1247 . 8 1 1 A 104 104 GLU N N 104 117.531 119.011 -1.480 1
1 1248 . 8 1 1 A 105 105 GLY H H 105 7.188 8.337 -1.149 1
1 1249 . 8 1 1 A 105 105 GLY HA2 H 105 3.137 4.038 -0.901 1
1 1250 . 8 1 1 A 105 105 GLY HA3 H 105 4.012 4.048 -0.036 1
1 1251 . 8 1 1 A 105 105 GLY C C 105 171.730 174.227 -2.497 1
1 1252 . 8 1 1 A 105 105 GLY CA C 105 44.214 45.248 -1.034 1
1 1253 . 8 1 1 A 105 105 GLY N N 105 104.168 107.157 -2.989 1
1 1254 . 8 1 1 A 106 106 CYS H H 106 9.026 7.990 1.036 1
1 1255 . 8 1 1 A 106 106 CYS HA H 106 4.253 4.751 -0.498 1
1 1258 . 8 1 1 A 106 106 CYS C C 106 173.438 174.261 -0.823 1
1 1259 . 8 1 1 A 106 106 CYS CA C 106 57.814 58.093 -0.279 1
1 1260 . 8 1 1 A 106 106 CYS CB C 106 26.162 29.220 -3.058 1
1 1261 . 8 1 1 A 106 106 CYS N N 106 121.949 120.407 1.542 1
1 1262 . 8 1 1 A 107 107 GLY H H 107 8.584 8.999 -0.415 1
1 1263 . 8 1 1 A 107 107 GLY HA2 H 107 3.706 4.231 -0.525 1
1 1264 . 8 1 1 A 107 107 GLY HA3 H 107 3.954 4.259 -0.305 1
1 1265 . 8 1 1 A 107 107 GLY C C 107 173.461 173.437 0.024 1
1 1266 . 8 1 1 A 107 107 GLY CA C 107 45.258 44.874 0.384 1
1 1267 . 8 1 1 A 107 107 GLY N N 107 114.561 114.078 0.483 1
1 1268 . 8 1 1 A 108 108 GLU H H 108 8.503 9.010 -0.507 1
1 1269 . 8 1 1 A 108 108 GLU HA H 108 4.051 4.388 -0.337 1
1 1274 . 8 1 1 A 108 108 GLU C C 108 178.118 178.022 0.096 1
1 1275 . 8 1 1 A 108 108 GLU CA C 108 57.478 58.110 -0.632 1
1 1276 . 8 1 1 A 108 108 GLU CB C 108 29.835 30.954 -1.119 1
1 1278 . 8 1 1 A 108 108 GLU N N 108 119.609 125.352 -5.743 1
1 1279 . 8 1 1 A 109 109 SER H H 109 8.082 8.091 -0.009 1
1 1280 . 8 1 1 A 109 109 SER HA H 109 4.127 4.342 -0.215 1
1 1283 . 8 1 1 A 109 109 SER C C 109 173.569 174.811 -1.242 1
1 1284 . 8 1 1 A 109 109 SER CA C 109 60.141 60.125 0.016 1
1 1285 . 8 1 1 A 109 109 SER CB C 109 63.935 63.313 0.622 1
1 1286 . 8 1 1 A 109 109 SER N N 109 112.186 113.823 -1.637 1
1 1287 . 8 1 1 A 110 110 ILE H H 110 6.570 7.825 -1.255 1
1 1288 . 8 1 1 A 110 110 ILE HA H 110 4.235 4.553 -0.318 1
1 1298 . 8 1 1 A 110 110 ILE CA C 110 58.031 58.367 -0.336 1
1 1299 . 8 1 1 A 110 110 ILE CB C 110 39.086 37.901 1.185 1
1 1303 . 8 1 1 A 110 110 ILE N N 110 116.937 115.863 1.074 1
1 1304 . 8 1 1 A 111 111 PRO HA H 111 4.510 5.018 -0.508 1
1 1311 . 8 1 1 A 111 111 PRO C C 111 179.076 176.255 2.821 1
1 1312 . 8 1 1 A 111 111 PRO CA C 111 61.703 62.168 -0.465 1
1 1313 . 8 1 1 A 111 111 PRO CB C 111 32.729 31.380 1.349 1
1 1316 . 8 1 1 A 112 112 GLY H H 112 9.018 8.494 0.524 1
1 1317 . 8 1 1 A 112 112 GLY HA2 H 112 3.461 4.178 -0.717 1
1 1318 . 8 1 1 A 112 112 GLY HA3 H 112 3.714 4.179 -0.465 1
1 1319 . 8 1 1 A 112 112 GLY C C 112 172.723 174.210 -1.487 1
1 1320 . 8 1 1 A 112 112 GLY CA C 112 46.262 46.282 -0.020 1
1 1321 . 8 1 1 A 112 112 GLY N N 112 111.592 109.740 1.852 1
1 1322 . 8 1 1 A 113 113 ASN H H 113 8.381 8.194 0.187 1
1 1323 . 8 1 1 A 113 113 ASN HA H 113 4.278 4.407 -0.129 1
1 1328 . 8 1 1 A 113 113 ASN C C 113 174.643 174.821 -0.178 1
1 1329 . 8 1 1 A 113 113 ASN CA C 113 54.388 53.998 0.390 1
1 1330 . 8 1 1 A 113 113 ASN CB C 113 37.204 36.247 0.957 1
1 1331 . 8 1 1 A 113 113 ASN N N 113 116.937 116.472 0.465 1
1 1333 . 8 1 1 A 114 114 SER H H 114 7.617 7.908 -0.291 1
1 1334 . 8 1 1 A 114 114 SER HA H 114 4.517 4.844 -0.327 1
1 1337 . 8 1 1 A 114 114 SER C C 114 172.904 173.170 -0.266 1
1 1338 . 8 1 1 A 114 114 SER CA C 114 59.864 56.748 3.116 1
1 1339 . 8 1 1 A 114 114 SER CB C 114 64.678 65.683 -1.005 1
1 1340 . 8 1 1 A 114 114 SER N N 114 113.077 114.295 -1.218 1
1 1341 . 8 1 1 A 115 115 VAL H H 115 8.500 8.691 -0.191 1
1 1342 . 8 1 1 A 115 115 VAL HA H 115 4.341 5.056 -0.715 1
1 1350 . 8 1 1 A 115 115 VAL C C 115 176.075 173.704 2.371 1
1 1351 . 8 1 1 A 115 115 VAL CA C 115 62.705 59.617 3.088 1
1 1352 . 8 1 1 A 115 115 VAL CB C 115 31.546 34.486 -2.940 1
1 1355 . 8 1 1 A 115 115 VAL N N 115 124.360 120.851 3.509 1
1 1356 . 8 1 1 A 116 116 LEU H H 116 9.104 9.140 -0.036 1
1 1357 . 8 1 1 A 116 116 LEU HA H 116 5.002 4.966 0.036 1
1 1367 . 8 1 1 A 116 116 LEU C C 116 174.923 175.848 -0.925 1
1 1368 . 8 1 1 A 116 116 LEU CA C 116 53.123 53.722 -0.599 1
1 1369 . 8 1 1 A 116 116 LEU CB C 116 45.379 45.245 0.134 1
1 1373 . 8 1 1 A 116 116 LEU N N 116 128.814 128.412 0.402 1
1 1374 . 8 1 1 A 117 117 LEU H H 117 9.009 8.413 0.596 1
1 1375 . 8 1 1 A 117 117 LEU HA H 117 5.601 5.329 0.272 1
1 1385 . 8 1 1 A 117 117 LEU C C 117 176.574 175.519 1.055 1
1 1386 . 8 1 1 A 117 117 LEU CA C 117 52.750 53.224 -0.474 1
1 1387 . 8 1 1 A 117 117 LEU CB C 117 44.693 44.547 0.146 1
1 1391 . 8 1 1 A 117 117 LEU N N 117 121.391 119.162 2.229 1
1 1392 . 8 1 1 A 118 118 PHE H H 118 9.375 8.928 0.447 1
1 1393 . 8 1 1 A 118 118 PHE HA H 118 6.155 5.169 0.986 1
1 1401 . 8 1 1 A 118 118 PHE C C 118 176.518 175.585 0.933 1
1 1402 . 8 1 1 A 118 118 PHE CA C 118 55.411 56.413 -1.002 1
1 1403 . 8 1 1 A 118 118 PHE CB C 118 42.385 42.283 0.102 1
1 1404 . 8 1 1 A 118 118 PHE N N 118 117.531 121.944 -4.413 1
1 1405 . 8 1 1 A 119 119 GLU H H 119 8.905 9.737 -0.832 1
1 1406 . 8 1 1 A 119 119 GLU HA H 119 5.604 4.750 0.854 1
1 1411 . 8 1 1 A 119 119 GLU C C 119 175.947 175.465 0.482 1
1 1412 . 8 1 1 A 119 119 GLU CA C 119 60.489 56.361 4.128 1
1 1413 . 8 1 1 A 119 119 GLU CB C 119 31.189 30.482 0.707 1
1 1415 . 8 1 1 A 119 119 GLU N N 119 122.876 122.124 0.752 1
1 1416 . 8 1 1 A 120 120 ILE H H 120 8.912 8.628 0.284 1
1 1417 . 8 1 1 A 120 120 ILE HA H 120 4.965 5.196 -0.231 1
1 1427 . 8 1 1 A 120 120 ILE C C 120 173.341 174.083 -0.742 1
1 1428 . 8 1 1 A 120 120 ILE CA C 120 60.568 60.092 0.476 1
1 1429 . 8 1 1 A 120 120 ILE CB C 120 41.927 39.233 2.694 1
1 1433 . 8 1 1 A 120 120 ILE N N 120 123.000 126.625 -3.625 1
1 1434 . 8 1 1 A 121 121 GLU H H 121 9.074 9.194 -0.120 1
1 1435 . 8 1 1 A 121 121 GLU HA H 121 5.445 5.160 0.285 1
1 1440 . 8 1 1 A 121 121 GLU C C 121 175.254 174.792 0.462 1
1 1441 . 8 1 1 A 121 121 GLU CA C 121 53.941 54.464 -0.523 1
1 1442 . 8 1 1 A 121 121 GLU CB C 121 33.897 33.161 0.736 1
1 1444 . 8 1 1 A 121 121 GLU N N 121 128.221 128.995 -0.774 1
1 1445 . 8 1 1 A 122 122 LEU H H 122 8.112 8.686 -0.574 1
1 1446 . 8 1 1 A 122 122 LEU HA H 122 4.680 4.461 0.219 1
1 1456 . 8 1 1 A 122 122 LEU C C 122 174.472 176.887 -2.415 1
1 1457 . 8 1 1 A 122 122 LEU CA C 122 54.403 54.247 0.156 1
1 1458 . 8 1 1 A 122 122 LEU CB C 122 40.796 41.180 -0.384 1
1 1462 . 8 1 1 A 122 122 LEU N N 122 127.033 128.040 -1.007 1
1 1463 . 8 1 1 A 123 123 LEU H H 123 8.704 8.200 0.504 1
1 1464 . 8 1 1 A 123 123 LEU HA H 123 4.385 4.333 0.052 1
1 1474 . 8 1 1 A 123 123 LEU C C 123 177.614 177.033 0.581 1
1 1475 . 8 1 1 A 123 123 LEU CA C 123 57.095 56.757 0.338 1
1 1476 . 8 1 1 A 123 123 LEU CB C 123 42.226 42.217 0.009 1
1 1480 . 8 1 1 A 123 123 LEU N N 123 128.814 123.754 5.060 1
1 1481 . 8 1 1 A 124 124 SER H H 124 7.602 7.492 0.110 1
1 1482 . 8 1 1 A 124 124 SER HA H 124 4.161 5.202 -1.041 1
1 1485 . 8 1 1 A 124 124 SER C C 124 171.375 172.837 -1.462 1
1 1486 . 8 1 1 A 124 124 SER CA C 124 57.545 57.877 -0.332 1
1 1487 . 8 1 1 A 124 124 SER CB C 124 63.359 67.191 -3.832 1
1 1488 . 8 1 1 A 124 124 SER N N 124 105.653 114.654 -9.001 1
1 1489 . 8 1 1 A 125 125 PHE H H 125 7.818 8.897 -1.079 1
1 1490 . 8 1 1 A 125 125 PHE HA H 125 5.451 5.607 -0.156 1
1 1498 . 8 1 1 A 125 125 PHE C C 125 173.154 173.322 -0.168 1
1 1499 . 8 1 1 A 125 125 PHE CA C 125 56.463 56.199 0.264 1
1 1500 . 8 1 1 A 125 125 PHE CB C 125 42.301 41.143 1.158 1
1 1501 . 8 1 1 A 125 125 PHE N N 125 113.373 119.705 -6.332 1
1 1502 . 8 1 1 A 126 126 ARG H H 126 8.934 8.957 -0.023 1
1 1503 . 8 1 1 A 126 126 ARG HA H 126 4.693 4.752 -0.059 1
1 1510 . 8 1 1 A 126 126 ARG C C 126 174.013 173.568 0.445 1
1 1511 . 8 1 1 A 126 126 ARG CA C 126 54.654 54.519 0.135 1
1 1512 . 8 1 1 A 126 126 ARG CB C 126 33.064 34.105 -1.041 1
1 1515 . 8 1 1 A 126 126 ARG N N 126 116.046 117.614 -1.568 1
1 1516 . 8 1 1 A 127 127 GLU H H 127 8.665 8.704 -0.039 1
1 1517 . 8 1 1 A 127 127 GLU HA H 127 4.436 5.279 -0.843 1
1 1522 . 8 1 1 A 127 127 GLU C C 127 176.050 175.212 0.838 1
1 1523 . 8 1 1 A 127 127 GLU CA C 127 55.552 55.008 0.544 1
1 1524 . 8 1 1 A 127 127 GLU CB C 127 30.600 32.806 -2.206 1
1 1 . 9 1 1 A 2 2 THR HA H 2 4.479 4.423 0.056 1
1 6 . 9 1 1 A 2 2 THR C C 2 174.348 174.475 -0.127 1
1 7 . 9 1 1 A 2 2 THR CA C 2 61.838 62.155 -0.317 1
1 8 . 9 1 1 A 2 2 THR CB C 2 69.919 69.819 0.100 1
1 10 . 9 1 1 A 3 3 THR H H 3 8.289 8.396 -0.107 1
1 11 . 9 1 1 A 3 3 THR HA H 3 4.282 4.309 -0.027 1
1 16 . 9 1 1 A 3 3 THR C C 3 174.404 174.242 0.162 1
1 17 . 9 1 1 A 3 3 THR CA C 3 62.140 61.973 0.167 1
1 18 . 9 1 1 A 3 3 THR CB C 3 69.658 69.865 -0.207 1
1 20 . 9 1 1 A 3 3 THR N N 3 116.640 117.135 -0.495 1
1 21 . 9 1 1 A 4 4 GLU H H 4 8.567 8.767 -0.200 1
1 22 . 9 1 1 A 4 4 GLU HA H 4 4.156 4.181 -0.025 1
1 27 . 9 1 1 A 4 4 GLU C C 4 176.216 174.560 1.656 1
1 28 . 9 1 1 A 4 4 GLU CA C 4 56.929 58.551 -1.622 1
1 29 . 9 1 1 A 4 4 GLU CB C 4 29.821 28.340 1.481 1
1 31 . 9 1 1 A 4 4 GLU N N 4 123.469 119.861 3.608 1
1 32 . 9 1 1 A 5 5 GLN H H 5 8.222 8.325 -0.103 1
1 33 . 9 1 1 A 5 5 GLN HA H 5 4.167 4.585 -0.418 1
1 40 . 9 1 1 A 5 5 GLN C C 5 175.216 173.484 1.732 1
1 41 . 9 1 1 A 5 5 GLN CA C 5 55.674 54.590 1.084 1
1 42 . 9 1 1 A 5 5 GLN CB C 5 29.553 32.248 -2.695 1
1 45 . 9 1 1 A 5 5 GLN N N 5 120.797 120.219 0.578 1
1 47 . 9 1 1 A 6 6 GLU H H 6 8.171 8.147 0.024 1
1 48 . 9 1 1 A 6 6 GLU HA H 6 4.080 4.576 -0.496 1
1 53 . 9 1 1 A 6 6 GLU C C 6 175.870 175.589 0.281 1
1 54 . 9 1 1 A 6 6 GLU CA C 6 56.400 55.602 0.798 1
1 55 . 9 1 1 A 6 6 GLU CB C 6 30.335 28.719 1.616 1
1 57 . 9 1 1 A 6 6 GLU N N 6 122.100 121.920 0.180 1
1 58 . 9 1 1 A 7 7 PHE H H 7 8.051 8.453 -0.402 1
1 59 . 9 1 1 A 7 7 PHE HA H 7 4.710 5.019 -0.309 1
1 67 . 9 1 1 A 7 7 PHE C C 7 175.461 174.209 1.252 1
1 68 . 9 1 1 A 7 7 PHE CA C 7 56.825 57.187 -0.362 1
1 69 . 9 1 1 A 7 7 PHE CB C 7 39.812 42.444 -2.632 1
1 70 . 9 1 1 A 7 7 PHE N N 7 120.500 123.746 -3.246 1
1 71 . 9 1 1 A 8 8 GLU H H 8 8.626 9.093 -0.467 1
1 72 . 9 1 1 A 8 8 GLU HA H 8 4.193 5.163 -0.970 1
1 77 . 9 1 1 A 8 8 GLU C C 8 176.141 175.112 1.029 1
1 78 . 9 1 1 A 8 8 GLU CA C 8 56.932 54.950 1.982 1
1 79 . 9 1 1 A 8 8 GLU CB C 8 30.794 33.112 -2.318 1
1 81 . 9 1 1 A 8 8 GLU N N 8 123.469 121.593 1.876 1
1 82 . 9 1 1 A 9 9 LYS H H 9 8.396 8.998 -0.602 1
1 83 . 9 1 1 A 9 9 LYS HA H 9 5.100 4.848 0.252 1
1 92 . 9 1 1 A 9 9 LYS C C 9 176.168 175.383 0.785 1
1 93 . 9 1 1 A 9 9 LYS CA C 9 55.428 54.996 0.432 1
1 94 . 9 1 1 A 9 9 LYS CB C 9 34.214 34.960 -0.746 1
1 98 . 9 1 1 A 9 9 LYS N N 9 124.954 126.023 -1.069 1
1 99 . 9 1 1 A 10 10 VAL H H 10 9.445 9.175 0.270 1
1 100 . 9 1 1 A 10 10 VAL HA H 10 4.278 4.544 -0.266 1
1 108 . 9 1 1 A 10 10 VAL C C 10 174.967 174.937 0.030 1
1 109 . 9 1 1 A 10 10 VAL CA C 10 60.951 61.670 -0.719 1
1 110 . 9 1 1 A 10 10 VAL CB C 10 34.681 32.781 1.900 1
1 113 . 9 1 1 A 10 10 VAL N N 10 124.360 125.203 -0.843 1
1 114 . 9 1 1 A 11 11 GLU H H 11 9.021 8.658 0.363 1
1 115 . 9 1 1 A 11 11 GLU HA H 11 4.369 4.839 -0.470 1
1 120 . 9 1 1 A 11 11 GLU C C 11 174.797 176.005 -1.208 1
1 121 . 9 1 1 A 11 11 GLU CA C 11 56.728 55.095 1.633 1
1 122 . 9 1 1 A 11 11 GLU CB C 11 28.655 31.420 -2.765 1
1 124 . 9 1 1 A 11 11 GLU N N 11 127.924 127.593 0.331 1
1 125 . 9 1 1 A 12 12 LEU H H 12 8.396 8.677 -0.281 1
1 126 . 9 1 1 A 12 12 LEU HA H 12 4.311 3.875 0.436 1
1 136 . 9 1 1 A 12 12 LEU C C 12 176.600 175.564 1.036 1
1 137 . 9 1 1 A 12 12 LEU CA C 12 55.292 55.883 -0.591 1
1 138 . 9 1 1 A 12 12 LEU CB C 12 42.624 40.681 1.943 1
1 142 . 9 1 1 A 12 12 LEU N N 12 124.954 119.640 5.314 1
1 143 . 9 1 1 A 13 13 THR H H 13 7.328 7.575 -0.247 1
1 144 . 9 1 1 A 13 13 THR HA H 13 4.530 4.295 0.235 1
1 149 . 9 1 1 A 13 13 THR C C 13 175.180 176.037 -0.857 1
1 150 . 9 1 1 A 13 13 THR CA C 13 59.603 62.446 -2.843 1
1 151 . 9 1 1 A 13 13 THR CB C 13 70.742 69.286 1.456 1
1 153 . 9 1 1 A 13 13 THR N N 13 106.841 112.622 -5.781 1
1 154 . 9 1 1 A 14 14 ALA H H 14 8.689 8.880 -0.191 1
1 155 . 9 1 1 A 14 14 ALA HA H 14 4.247 4.105 0.142 1
1 159 . 9 1 1 A 14 14 ALA C C 14 177.522 178.048 -0.526 1
1 160 . 9 1 1 A 14 14 ALA CA C 14 53.875 53.738 0.137 1
1 161 . 9 1 1 A 14 14 ALA CB C 14 17.920 18.561 -0.641 1
1 162 . 9 1 1 A 14 14 ALA N N 14 123.733 129.354 -5.621 1
1 163 . 9 1 1 A 15 15 ASP H H 15 7.516 7.809 -0.293 1
1 164 . 9 1 1 A 15 15 ASP HA H 15 4.518 4.632 -0.114 1
1 167 . 9 1 1 A 15 15 ASP C C 15 177.402 176.407 0.995 1
1 168 . 9 1 1 A 15 15 ASP CA C 15 52.635 54.316 -1.681 1
1 169 . 9 1 1 A 15 15 ASP CB C 15 40.912 40.933 -0.021 1
1 170 . 9 1 1 A 15 15 ASP N N 15 113.967 116.826 -2.859 1
1 171 . 9 1 1 A 16 16 GLY H H 16 7.986 7.606 0.380 1
1 172 . 9 1 1 A 16 16 GLY HA2 H 16 4.080 4.016 0.064 1
1 173 . 9 1 1 A 16 16 GLY HA3 H 16 3.529 4.026 -0.497 1
1 174 . 9 1 1 A 16 16 GLY C C 16 175.233 175.369 -0.136 1
1 175 . 9 1 1 A 16 16 GLY CA C 16 45.798 45.444 0.354 1
1 176 . 9 1 1 A 16 16 GLY N N 16 108.919 105.462 3.457 1
1 177 . 9 1 1 A 17 17 GLY H H 17 8.681 8.665 0.016 1
1 178 . 9 1 1 A 17 17 GLY HA2 H 17 4.513 3.960 0.553 1
1 179 . 9 1 1 A 17 17 GLY HA3 H 17 4.513 3.974 0.539 1
1 180 . 9 1 1 A 17 17 GLY C C 17 172.684 174.159 -1.475 1
1 181 . 9 1 1 A 17 17 GLY CA C 17 46.672 46.985 -0.313 1
1 182 . 9 1 1 A 17 17 GLY N N 17 108.663 106.177 2.486 1
1 183 . 9 1 1 A 18 18 VAL H H 18 6.903 7.509 -0.606 1
1 184 . 9 1 1 A 18 18 VAL HA H 18 4.855 4.334 0.521 1
1 192 . 9 1 1 A 18 18 VAL C C 18 174.737 174.676 0.061 1
1 193 . 9 1 1 A 18 18 VAL CA C 18 62.035 60.574 1.461 1
1 194 . 9 1 1 A 18 18 VAL CB C 18 33.315 35.525 -2.210 1
1 197 . 9 1 1 A 18 18 VAL N N 18 117.234 118.503 -1.269 1
1 198 . 9 1 1 A 19 19 ILE H H 19 8.243 8.534 -0.291 1
1 199 . 9 1 1 A 19 19 ILE HA H 19 4.665 4.742 -0.077 1
1 209 . 9 1 1 A 19 19 ILE C C 19 174.360 175.317 -0.957 1
1 210 . 9 1 1 A 19 19 ILE CA C 19 60.736 60.441 0.295 1
1 211 . 9 1 1 A 19 19 ILE CB C 19 41.856 37.515 4.341 1
1 215 . 9 1 1 A 19 19 ILE N N 19 126.439 127.560 -1.121 1
1 216 . 9 1 1 A 20 20 LYS H H 20 9.345 8.901 0.444 1
1 217 . 9 1 1 A 20 20 LYS HA H 20 5.296 5.023 0.273 1
1 226 . 9 1 1 A 20 20 LYS C C 20 173.618 174.543 -0.925 1
1 227 . 9 1 1 A 20 20 LYS CA C 20 54.842 54.471 0.371 1
1 228 . 9 1 1 A 20 20 LYS CB C 20 36.261 36.033 0.228 1
1 232 . 9 1 1 A 20 20 LYS N N 20 129.408 124.866 4.542 1
1 233 . 9 1 1 A 21 21 THR H H 21 9.597 9.067 0.530 1
1 234 . 9 1 1 A 21 21 THR HA H 21 4.923 4.874 0.049 1
1 239 . 9 1 1 A 21 21 THR C C 21 174.648 173.137 1.511 1
1 240 . 9 1 1 A 21 21 THR CA C 21 61.703 62.029 -0.326 1
1 241 . 9 1 1 A 21 21 THR CB C 21 70.230 70.414 -0.184 1
1 243 . 9 1 1 A 21 21 THR N N 21 123.469 116.626 6.843 1
1 244 . 9 1 1 A 22 22 ILE H H 22 9.248 8.544 0.704 1
1 245 . 9 1 1 A 22 22 ILE HA H 22 3.637 4.412 -0.775 1
1 255 . 9 1 1 A 22 22 ILE C C 22 174.348 174.912 -0.564 1
1 256 . 9 1 1 A 22 22 ILE CA C 22 64.258 60.973 3.285 1
1 257 . 9 1 1 A 22 22 ILE CB C 22 37.551 39.116 -1.565 1
1 261 . 9 1 1 A 22 22 ILE N N 22 128.517 127.625 0.892 1
1 262 . 9 1 1 A 23 23 LEU H H 23 8.498 8.580 -0.082 1
1 263 . 9 1 1 A 23 23 LEU HA H 23 4.180 3.582 0.598 1
1 273 . 9 1 1 A 23 23 LEU C C 23 177.521 176.635 0.886 1
1 274 . 9 1 1 A 23 23 LEU CA C 23 55.460 55.799 -0.339 1
1 275 . 9 1 1 A 23 23 LEU CB C 23 42.239 41.945 0.294 1
1 279 . 9 1 1 A 23 23 LEU N N 23 128.517 130.241 -1.724 1
1 280 . 9 1 1 A 24 24 LYS H H 24 8.020 7.635 0.385 1
1 281 . 9 1 1 A 24 24 LYS HA H 24 4.392 4.751 -0.359 1
1 290 . 9 1 1 A 24 24 LYS C C 24 174.465 175.632 -1.167 1
1 291 . 9 1 1 A 24 24 LYS CA C 24 55.848 54.854 0.994 1
1 292 . 9 1 1 A 24 24 LYS CB C 24 35.692 34.103 1.589 1
1 296 . 9 1 1 A 24 24 LYS N N 24 120.797 117.961 2.836 1
1 297 . 9 1 1 A 25 25 LYS H H 25 8.657 8.655 0.002 1
1 298 . 9 1 1 A 25 25 LYS HA H 25 4.178 4.478 -0.300 1
1 307 . 9 1 1 A 25 25 LYS C C 25 177.616 176.688 0.928 1
1 308 . 9 1 1 A 25 25 LYS CA C 25 57.218 56.377 0.841 1
1 309 . 9 1 1 A 25 25 LYS CB C 25 32.846 33.342 -0.496 1
1 313 . 9 1 1 A 25 25 LYS N N 25 126.439 128.686 -2.247 1
1 314 . 9 1 1 A 26 26 GLY H H 26 9.728 8.504 1.224 1
1 315 . 9 1 1 A 26 26 GLY HA2 H 26 3.408 4.047 -0.639 1
1 316 . 9 1 1 A 26 26 GLY HA3 H 26 4.120 4.051 0.069 1
1 317 . 9 1 1 A 26 26 GLY C C 26 173.278 172.943 0.335 1
1 318 . 9 1 1 A 26 26 GLY CA C 26 43.709 44.341 -0.632 1
1 319 . 9 1 1 A 26 26 GLY N N 26 110.404 111.516 -1.112 1
1 320 . 9 1 1 A 27 27 ASP H H 27 8.550 8.344 0.206 1
1 321 . 9 1 1 A 27 27 ASP HA H 27 4.401 5.004 -0.603 1
1 324 . 9 1 1 A 27 27 ASP C C 27 175.993 173.675 2.318 1
1 325 . 9 1 1 A 27 27 ASP CA C 27 55.105 52.928 2.177 1
1 326 . 9 1 1 A 27 27 ASP CB C 27 41.688 43.774 -2.086 1
1 327 . 9 1 1 A 27 27 ASP N N 27 121.391 121.033 0.358 1
1 328 . 9 1 1 A 28 28 GLU H H 28 8.419 8.590 -0.171 1
1 329 . 9 1 1 A 28 28 GLU HA H 28 4.063 4.446 -0.383 1
1 334 . 9 1 1 A 28 28 GLU C C 28 176.146 175.983 0.163 1
1 335 . 9 1 1 A 28 28 GLU CA C 28 57.076 57.691 -0.615 1
1 336 . 9 1 1 A 28 28 GLU CB C 28 30.774 30.532 0.242 1
1 338 . 9 1 1 A 28 28 GLU N N 28 120.203 120.791 -0.588 1
1 339 . 9 1 1 A 29 29 GLY H H 29 8.364 8.431 -0.067 1
1 340 . 9 1 1 A 29 29 GLY HA2 H 29 4.758 4.179 0.579 1
1 341 . 9 1 1 A 29 29 GLY HA3 H 29 4.584 4.183 0.401 1
1 342 . 9 1 1 A 29 29 GLY C C 29 175.976 174.630 1.346 1
1 343 . 9 1 1 A 29 29 GLY CA C 29 44.686 45.654 -0.968 1
1 344 . 9 1 1 A 29 29 GLY N N 29 110.404 113.176 -2.772 1
1 345 . 9 1 1 A 30 30 GLU H H 30 8.867 8.589 0.278 1
1 346 . 9 1 1 A 30 30 GLU HA H 30 3.749 4.054 -0.305 1
1 351 . 9 1 1 A 30 30 GLU C C 30 177.872 177.720 0.152 1
1 352 . 9 1 1 A 30 30 GLU CA C 30 59.045 58.493 0.552 1
1 353 . 9 1 1 A 30 30 GLU CB C 30 29.030 29.599 -0.569 1
1 355 . 9 1 1 A 30 30 GLU N N 30 125.251 123.091 2.160 1
1 356 . 9 1 1 A 31 31 GLU H H 31 9.842 7.973 1.869 1
1 357 . 9 1 1 A 31 31 GLU HA H 31 4.312 4.329 -0.017 1
1 362 . 9 1 1 A 31 31 GLU C C 31 176.330 176.927 -0.597 1
1 363 . 9 1 1 A 31 31 GLU CA C 31 57.437 56.949 0.488 1
1 364 . 9 1 1 A 31 31 GLU CB C 31 28.040 29.911 -1.871 1
1 366 . 9 1 1 A 31 31 GLU N N 31 118.421 118.955 -0.534 1
1 367 . 9 1 1 A 32 32 ASN H H 32 7.731 7.842 -0.111 1
1 368 . 9 1 1 A 32 32 ASN HA H 32 5.127 5.211 -0.084 1
1 373 . 9 1 1 A 32 32 ASN C C 32 172.750 173.704 -0.954 1
1 374 . 9 1 1 A 32 32 ASN CA C 32 54.111 52.574 1.537 1
1 375 . 9 1 1 A 32 32 ASN CB C 32 40.161 37.888 2.273 1
1 376 . 9 1 1 A 32 32 ASN N N 32 116.937 118.429 -1.492 1
1 378 . 9 1 1 A 33 33 ILE H H 33 7.105 8.228 -1.123 1
1 379 . 9 1 1 A 33 33 ILE HA H 33 4.793 4.546 0.247 1
1 389 . 9 1 1 A 33 33 ILE CA C 33 57.895 57.672 0.223 1
1 390 . 9 1 1 A 33 33 ILE CB C 33 40.609 41.714 -1.105 1
1 394 . 9 1 1 A 33 33 ILE N N 33 121.985 125.511 -3.526 1
1 395 . 9 1 1 A 34 34 PRO HA H 34 4.065 4.878 -0.813 1
1 402 . 9 1 1 A 34 34 PRO C C 34 173.754 176.306 -2.552 1
1 403 . 9 1 1 A 34 34 PRO CA C 34 61.962 62.533 -0.571 1
1 404 . 9 1 1 A 34 34 PRO CB C 34 31.877 31.686 0.191 1
1 407 . 9 1 1 A 35 35 LYS H H 35 7.101 8.730 -1.629 1
1 408 . 9 1 1 A 35 35 LYS HA H 35 4.377 4.757 -0.380 1
1 417 . 9 1 1 A 35 35 LYS C C 35 175.712 175.360 0.352 1
1 418 . 9 1 1 A 35 35 LYS CA C 35 53.404 54.687 -1.283 1
1 419 . 9 1 1 A 35 35 LYS CB C 35 35.229 36.197 -0.968 1
1 423 . 9 1 1 A 35 35 LYS N N 35 116.046 121.876 -5.830 1
1 424 . 9 1 1 A 36 36 LYS H H 36 8.144 8.605 -0.461 1
1 425 . 9 1 1 A 36 36 LYS HA H 36 3.515 3.917 -0.402 1
1 434 . 9 1 1 A 36 36 LYS C C 36 176.774 177.384 -0.610 1
1 435 . 9 1 1 A 36 36 LYS CA C 36 58.608 58.263 0.345 1
1 436 . 9 1 1 A 36 36 LYS CB C 36 32.089 32.102 -0.013 1
1 440 . 9 1 1 A 36 36 LYS N N 36 120.797 124.398 -3.601 1
1 441 . 9 1 1 A 37 37 GLY H H 37 9.113 9.002 0.111 1
1 442 . 9 1 1 A 37 37 GLY HA2 H 37 3.494 4.055 -0.561 1
1 443 . 9 1 1 A 37 37 GLY HA3 H 37 4.330 4.057 0.273 1
1 444 . 9 1 1 A 37 37 GLY C C 37 175.329 174.838 0.491 1
1 445 . 9 1 1 A 37 37 GLY CA C 37 44.853 45.118 -0.265 1
1 446 . 9 1 1 A 37 37 GLY N N 37 113.967 114.928 -0.961 1
1 447 . 9 1 1 A 38 38 ASN H H 38 8.447 7.971 0.476 1
1 448 . 9 1 1 A 38 38 ASN HA H 38 4.663 5.082 -0.419 1
1 453 . 9 1 1 A 38 38 ASN C C 38 174.878 175.267 -0.389 1
1 454 . 9 1 1 A 38 38 ASN CA C 38 53.557 52.556 1.001 1
1 455 . 9 1 1 A 38 38 ASN CB C 38 39.155 40.192 -1.037 1
1 457 . 9 1 1 A 38 38 ASN N N 38 117.828 119.077 -1.249 1
1 459 . 9 1 1 A 39 39 GLU H H 39 8.331 8.728 -0.397 1
1 460 . 9 1 1 A 39 39 GLU HA H 39 4.254 4.898 -0.644 1
1 465 . 9 1 1 A 39 39 GLU C C 39 175.656 176.427 -0.771 1
1 466 . 9 1 1 A 39 39 GLU CA C 39 55.804 56.196 -0.392 1
1 467 . 9 1 1 A 39 39 GLU CB C 39 31.464 30.503 0.961 1
1 469 . 9 1 1 A 39 39 GLU N N 39 121.094 120.303 0.791 1
1 470 . 9 1 1 A 40 40 VAL H H 40 9.138 8.888 0.250 1
1 471 . 9 1 1 A 40 40 VAL HA H 40 4.699 4.987 -0.288 1
1 479 . 9 1 1 A 40 40 VAL C C 40 173.240 174.503 -1.263 1
1 480 . 9 1 1 A 40 40 VAL CA C 40 59.559 59.509 0.050 1
1 481 . 9 1 1 A 40 40 VAL CB C 40 32.896 35.496 -2.600 1
1 484 . 9 1 1 A 40 40 VAL N N 40 125.845 118.500 7.345 1
1 485 . 9 1 1 A 41 41 THR H H 41 8.328 8.898 -0.570 1
1 486 . 9 1 1 A 41 41 THR HA H 41 4.982 4.744 0.238 1
1 491 . 9 1 1 A 41 41 THR C C 41 174.455 173.521 0.934 1
1 492 . 9 1 1 A 41 41 THR CA C 41 61.964 61.456 0.508 1
1 493 . 9 1 1 A 41 41 THR CB C 41 69.623 70.158 -0.535 1
1 495 . 9 1 1 A 41 41 THR N N 41 117.531 118.108 -0.577 1
1 496 . 9 1 1 A 42 42 VAL H H 42 9.581 8.598 0.983 1
1 497 . 9 1 1 A 42 42 VAL HA H 42 5.669 5.251 0.418 1
1 505 . 9 1 1 A 42 42 VAL C C 42 174.919 174.122 0.797 1
1 506 . 9 1 1 A 42 42 VAL CA C 42 57.930 58.067 -0.137 1
1 507 . 9 1 1 A 42 42 VAL CB C 42 35.321 35.368 -0.047 1
1 510 . 9 1 1 A 42 42 VAL N N 42 117.828 118.728 -0.900 1
1 511 . 9 1 1 A 43 43 HIS H H 43 8.333 8.313 0.020 1
1 512 . 9 1 1 A 43 43 HIS HA H 43 5.407 5.420 -0.013 1
1 515 . 9 1 1 A 43 43 HIS C C 43 176.136 173.815 2.321 1
1 516 . 9 1 1 A 43 43 HIS CA C 43 54.147 54.135 0.012 1
1 517 . 9 1 1 A 43 43 HIS CB C 43 35.339 32.488 2.851 1
1 518 . 9 1 1 A 43 43 HIS N N 43 119.906 119.772 0.134 1
1 519 . 9 1 1 A 44 44 TYR H H 44 9.622 9.009 0.613 1
1 520 . 9 1 1 A 44 44 TYR HA H 44 6.247 6.179 0.068 1
1 527 . 9 1 1 A 44 44 TYR C C 44 172.857 173.765 -0.908 1
1 528 . 9 1 1 A 44 44 TYR CA C 44 56.304 55.616 0.688 1
1 529 . 9 1 1 A 44 44 TYR CB C 44 43.537 42.299 1.238 1
1 530 . 9 1 1 A 44 44 TYR N N 44 117.234 118.594 -1.360 1
1 531 . 9 1 1 A 45 45 VAL H H 45 8.735 8.403 0.332 1
1 532 . 9 1 1 A 45 45 VAL HA H 45 4.520 4.522 -0.002 1
1 540 . 9 1 1 A 45 45 VAL C C 45 175.200 174.664 0.536 1
1 541 . 9 1 1 A 45 45 VAL CA C 45 62.212 60.191 2.021 1
1 542 . 9 1 1 A 45 45 VAL CB C 45 35.550 34.925 0.625 1
1 545 . 9 1 1 A 45 45 VAL N N 45 118.125 119.876 -1.751 1
1 546 . 9 1 1 A 46 46 GLY H H 46 9.126 8.081 1.045 1
1 547 . 9 1 1 A 46 46 GLY HA2 H 46 4.539 4.156 0.383 1
1 548 . 9 1 1 A 46 46 GLY HA3 H 46 4.506 4.195 0.311 1
1 549 . 9 1 1 A 46 46 GLY C C 46 170.771 171.862 -1.091 1
1 550 . 9 1 1 A 46 46 GLY CA C 46 45.601 45.911 -0.310 1
1 551 . 9 1 1 A 46 46 GLY N N 46 114.858 111.084 3.774 1
1 552 . 9 1 1 A 47 47 LYS H H 47 9.121 8.057 1.064 1
1 553 . 9 1 1 A 47 47 LYS HA H 47 5.176 5.463 -0.287 1
1 562 . 9 1 1 A 47 47 LYS C C 47 175.830 174.446 1.384 1
1 563 . 9 1 1 A 47 47 LYS CA C 47 53.937 54.591 -0.654 1
1 564 . 9 1 1 A 47 47 LYS CB C 47 37.021 36.465 0.556 1
1 568 . 9 1 1 A 47 47 LYS N N 47 123.469 119.249 4.220 1
1 569 . 9 1 1 A 48 48 LEU H H 48 8.016 9.180 -1.164 1
1 570 . 9 1 1 A 48 48 LEU HA H 48 4.692 4.629 0.063 1
1 580 . 9 1 1 A 48 48 LEU C C 48 178.031 176.664 1.367 1
1 581 . 9 1 1 A 48 48 LEU CA C 48 54.231 54.394 -0.163 1
1 582 . 9 1 1 A 48 48 LEU CB C 48 41.678 41.847 -0.169 1
1 586 . 9 1 1 A 48 48 LEU N N 48 121.391 123.308 -1.917 1
1 587 . 9 1 1 A 49 49 GLU H H 49 8.085 8.650 -0.565 1
1 588 . 9 1 1 A 49 49 GLU HA H 49 3.835 3.889 -0.054 1
1 593 . 9 1 1 A 49 49 GLU C C 49 178.118 178.039 0.079 1
1 594 . 9 1 1 A 49 49 GLU CA C 49 59.974 59.343 0.631 1
1 595 . 9 1 1 A 49 49 GLU CB C 49 30.322 29.267 1.055 1
1 597 . 9 1 1 A 49 49 GLU N N 49 124.954 127.541 -2.587 1
1 598 . 9 1 1 A 50 50 SER H H 50 9.220 7.847 1.373 1
1 599 . 9 1 1 A 50 50 SER HA H 50 4.154 4.267 -0.113 1
1 602 . 9 1 1 A 50 50 SER C C 50 176.751 175.842 0.909 1
1 603 . 9 1 1 A 50 50 SER CA C 50 60.230 60.851 -0.621 1
1 604 . 9 1 1 A 50 50 SER CB C 50 62.229 63.065 -0.836 1
1 605 . 9 1 1 A 50 50 SER N N 50 112.186 114.906 -2.720 1
1 606 . 9 1 1 A 51 51 THR H H 51 6.784 8.001 -1.217 1
1 607 . 9 1 1 A 51 51 THR HA H 51 4.520 4.621 -0.101 1
1 612 . 9 1 1 A 51 51 THR C C 51 176.342 175.071 1.271 1
1 613 . 9 1 1 A 51 51 THR CA C 51 60.760 62.770 -2.010 1
1 614 . 9 1 1 A 51 51 THR CB C 51 71.046 71.751 -0.705 1
1 616 . 9 1 1 A 51 51 THR N N 51 105.653 112.905 -7.252 1
1 617 . 9 1 1 A 52 52 GLY H H 52 8.296 9.081 -0.785 1
1 618 . 9 1 1 A 52 52 GLY HA2 H 52 3.680 3.998 -0.318 1
1 619 . 9 1 1 A 52 52 GLY HA3 H 52 4.096 4.002 0.094 1
1 620 . 9 1 1 A 52 52 GLY C C 52 173.336 174.242 -0.906 1
1 621 . 9 1 1 A 52 52 GLY CA C 52 45.711 45.230 0.481 1
1 622 . 9 1 1 A 52 52 GLY N N 52 112.483 109.716 2.767 1
1 623 . 9 1 1 A 53 53 LYS H H 53 7.479 7.612 -0.133 1
1 624 . 9 1 1 A 53 53 LYS HA H 53 4.218 4.417 -0.199 1
1 633 . 9 1 1 A 53 53 LYS C C 53 176.513 175.775 0.738 1
1 634 . 9 1 1 A 53 53 LYS CA C 53 56.217 55.837 0.380 1
1 635 . 9 1 1 A 53 53 LYS CB C 53 33.430 32.949 0.481 1
1 639 . 9 1 1 A 53 53 LYS N N 53 119.609 119.798 -0.189 1
1 640 . 9 1 1 A 54 54 VAL H H 54 8.511 8.351 0.160 1
1 641 . 9 1 1 A 54 54 VAL HA H 54 4.244 4.380 -0.136 1
1 649 . 9 1 1 A 54 54 VAL C C 54 176.879 176.216 0.663 1
1 650 . 9 1 1 A 54 54 VAL CA C 54 62.409 62.235 0.174 1
1 651 . 9 1 1 A 54 54 VAL CB C 54 32.697 33.089 -0.392 1
1 654 . 9 1 1 A 54 54 VAL N N 54 126.109 124.514 1.595 1
1 655 . 9 1 1 A 55 55 PHE H H 55 8.325 9.105 -0.780 1
1 656 . 9 1 1 A 55 55 PHE HA H 55 5.036 4.797 0.239 1
1 664 . 9 1 1 A 55 55 PHE C C 55 174.856 174.509 0.347 1
1 665 . 9 1 1 A 55 55 PHE CA C 55 55.758 58.202 -2.444 1
1 666 . 9 1 1 A 55 55 PHE CB C 55 40.399 38.929 1.470 1
1 667 . 9 1 1 A 55 55 PHE N N 55 124.063 126.266 -2.203 1
1 668 . 9 1 1 A 56 56 ASP H H 56 6.884 8.745 -1.861 1
1 669 . 9 1 1 A 56 56 ASP HA H 56 4.801 5.075 -0.274 1
1 672 . 9 1 1 A 56 56 ASP C C 56 173.688 174.229 -0.541 1
1 673 . 9 1 1 A 56 56 ASP CA C 56 54.956 53.278 1.678 1
1 674 . 9 1 1 A 56 56 ASP CB C 56 43.616 41.377 2.239 1
1 675 . 9 1 1 A 56 56 ASP N N 56 120.500 126.013 -5.513 1
1 676 . 9 1 1 A 57 57 SER H H 57 8.038 8.868 -0.830 1
1 677 . 9 1 1 A 57 57 SER HA H 57 4.796 4.967 -0.171 1
1 680 . 9 1 1 A 57 57 SER C C 57 174.997 174.218 0.779 1
1 681 . 9 1 1 A 57 57 SER CA C 57 55.792 57.320 -1.528 1
1 682 . 9 1 1 A 57 57 SER CB C 57 64.961 66.913 -1.952 1
1 683 . 9 1 1 A 57 57 SER N N 57 118.421 121.095 -2.674 1
1 684 . 9 1 1 A 58 58 SER H H 58 8.429 8.721 -0.292 1
1 685 . 9 1 1 A 58 58 SER HA H 58 4.080 3.980 0.100 1
1 688 . 9 1 1 A 58 58 SER C C 58 177.399 175.714 1.685 1
1 689 . 9 1 1 A 58 58 SER CA C 58 61.499 62.413 -0.914 1
1 690 . 9 1 1 A 58 58 SER CB C 58 65.069 62.379 2.690 1
1 691 . 9 1 1 A 58 58 SER N N 58 123.766 117.135 6.631 1
1 692 . 9 1 1 A 59 59 PHE H H 59 7.276 7.340 -0.064 1
1 693 . 9 1 1 A 59 59 PHE HA H 59 3.851 4.440 -0.589 1
1 701 . 9 1 1 A 59 59 PHE C C 59 178.929 177.949 0.980 1
1 702 . 9 1 1 A 59 59 PHE CA C 59 61.010 59.824 1.186 1
1 703 . 9 1 1 A 59 59 PHE CB C 59 38.129 39.956 -1.827 1
1 704 . 9 1 1 A 59 59 PHE N N 59 121.845 119.044 2.801 1
1 705 . 9 1 1 A 60 60 ASP H H 60 7.534 8.782 -1.248 1
1 706 . 9 1 1 A 60 60 ASP HA H 60 4.343 4.324 0.019 1
1 709 . 9 1 1 A 60 60 ASP C C 60 177.295 178.085 -0.790 1
1 710 . 9 1 1 A 60 60 ASP CA C 60 56.921 57.418 -0.497 1
1 711 . 9 1 1 A 60 60 ASP CB C 60 40.298 40.452 -0.154 1
1 712 . 9 1 1 A 60 60 ASP N N 60 119.015 118.715 0.300 1
1 713 . 9 1 1 A 61 61 ARG H H 61 7.224 8.299 -1.075 1
1 714 . 9 1 1 A 61 61 ARG HA H 61 4.378 4.274 0.104 1
1 721 . 9 1 1 A 61 61 ARG C C 61 175.798 178.649 -2.851 1
1 722 . 9 1 1 A 61 61 ARG CA C 61 55.209 57.926 -2.717 1
1 723 . 9 1 1 A 61 61 ARG CB C 61 32.610 30.699 1.911 1
1 726 . 9 1 1 A 61 61 ARG N N 61 115.452 118.041 -2.589 1
1 727 . 9 1 1 A 62 62 ASN H H 62 7.946 7.853 0.093 1
1 728 . 9 1 1 A 62 62 ASN HA H 62 4.392 4.686 -0.294 1
1 733 . 9 1 1 A 62 62 ASN C C 62 173.776 175.031 -1.255 1
1 734 . 9 1 1 A 62 62 ASN CA C 62 54.269 55.089 -0.820 1
1 735 . 9 1 1 A 62 62 ASN CB C 62 38.597 39.420 -0.823 1
1 737 . 9 1 1 A 62 62 ASN N N 62 115.196 118.407 -3.211 1
1 739 . 9 1 1 A 63 63 VAL H H 63 7.278 7.424 -0.146 1
1 740 . 9 1 1 A 63 63 VAL HA H 63 4.628 4.452 0.176 1
1 748 . 9 1 1 A 63 63 VAL CA C 63 62.601 58.571 4.030 1
1 749 . 9 1 1 A 63 63 VAL CB C 63 35.186 34.808 0.378 1
1 752 . 9 1 1 A 63 63 VAL N N 63 115.155 116.890 -1.735 1
1 753 . 9 1 1 A 64 64 PRO HA H 64 4.516 4.505 0.011 1
1 760 . 9 1 1 A 64 64 PRO C C 64 174.254 175.981 -1.727 1
1 761 . 9 1 1 A 64 64 PRO CA C 64 62.601 62.235 0.366 1
1 762 . 9 1 1 A 64 64 PRO CB C 64 31.977 32.071 -0.094 1
1 765 . 9 1 1 A 65 65 PHE H H 65 9.109 8.421 0.688 1
1 766 . 9 1 1 A 65 65 PHE HA H 65 4.821 4.913 -0.092 1
1 774 . 9 1 1 A 65 65 PHE C C 65 173.320 175.083 -1.763 1
1 775 . 9 1 1 A 65 65 PHE CA C 65 57.292 57.780 -0.488 1
1 776 . 9 1 1 A 65 65 PHE CB C 65 42.894 41.299 1.595 1
1 777 . 9 1 1 A 65 65 PHE N N 65 123.469 122.957 0.512 1
1 778 . 9 1 1 A 66 66 LYS H H 66 7.474 8.289 -0.815 1
1 779 . 9 1 1 A 66 66 LYS HA H 66 5.378 5.413 -0.035 1
1 788 . 9 1 1 A 66 66 LYS C C 66 175.026 175.253 -0.227 1
1 789 . 9 1 1 A 66 66 LYS CA C 66 53.876 54.543 -0.667 1
1 790 . 9 1 1 A 66 66 LYS CB C 66 35.471 34.801 0.670 1
1 794 . 9 1 1 A 66 66 LYS N N 66 125.548 120.893 4.655 1
1 795 . 9 1 1 A 67 67 PHE H H 67 8.114 8.433 -0.319 1
1 796 . 9 1 1 A 67 67 PHE HA H 67 4.469 5.357 -0.888 1
1 804 . 9 1 1 A 67 67 PHE C C 67 172.049 172.508 -0.459 1
1 805 . 9 1 1 A 67 67 PHE CA C 67 55.662 55.292 0.370 1
1 806 . 9 1 1 A 67 67 PHE CB C 67 40.087 41.836 -1.749 1
1 807 . 9 1 1 A 67 67 PHE N N 67 115.419 116.815 -1.396 1
1 808 . 9 1 1 A 68 68 HIS H H 68 8.983 9.028 -0.045 1
1 809 . 9 1 1 A 68 68 HIS HA H 68 5.482 5.073 0.409 1
1 812 . 9 1 1 A 68 68 HIS C C 68 174.742 174.984 -0.242 1
1 813 . 9 1 1 A 68 68 HIS CA C 68 55.348 54.509 0.839 1
1 814 . 9 1 1 A 68 68 HIS CB C 68 28.470 32.249 -3.779 1
1 815 . 9 1 1 A 68 68 HIS N N 68 118.421 116.992 1.429 1
1 816 . 9 1 1 A 69 69 LEU H H 69 8.317 8.703 -0.386 1
1 817 . 9 1 1 A 69 69 LEU HA H 69 4.016 4.453 -0.437 1
1 827 . 9 1 1 A 69 69 LEU CA C 69 56.060 55.907 0.153 1
1 828 . 9 1 1 A 69 69 LEU CB C 69 42.903 42.141 0.762 1
1 832 . 9 1 1 A 69 69 LEU N N 69 126.736 125.190 1.546 1
1 833 . 9 1 1 A 70 70 GLU H H 70 9.618 9.139 0.479 1
1 834 . 9 1 1 A 70 70 GLU HA H 70 3.847 4.051 -0.204 1
1 839 . 9 1 1 A 70 70 GLU C C 70 174.818 177.257 -2.439 1
1 840 . 9 1 1 A 70 70 GLU CA C 70 58.625 57.294 1.331 1
1 841 . 9 1 1 A 70 70 GLU CB C 70 27.456 28.325 -0.869 1
1 843 . 9 1 1 A 70 70 GLU N N 70 124.954 126.069 -1.115 1
1 844 . 9 1 1 A 71 71 GLN H H 71 8.248 8.250 -0.002 1
1 845 . 9 1 1 A 71 71 GLN HA H 71 4.678 4.411 0.267 1
1 852 . 9 1 1 A 71 71 GLN CA C 71 54.218 54.827 -0.609 1
1 853 . 9 1 1 A 71 71 GLN CB C 71 30.422 28.109 2.313 1
1 856 . 9 1 1 A 71 71 GLN N N 71 114.858 119.580 -4.722 1
1 858 . 9 1 1 A 72 72 GLY H H 72 8.362 7.839 0.523 1
1 859 . 9 1 1 A 72 72 GLY HA2 H 72 4.145 4.024 0.121 1
1 860 . 9 1 1 A 72 72 GLY HA3 H 72 4.059 4.029 0.030 1
1 861 . 9 1 1 A 72 72 GLY C C 72 175.783 175.711 0.072 1
1 862 . 9 1 1 A 72 72 GLY CA C 72 46.838 45.489 1.349 1
1 863 . 9 1 1 A 72 72 GLY N N 72 110.404 109.599 0.805 1
1 864 . 9 1 1 A 73 73 GLU H H 73 9.085 8.318 0.767 1
1 865 . 9 1 1 A 73 73 GLU HA H 73 4.187 4.348 -0.161 1
1 870 . 9 1 1 A 73 73 GLU C C 73 175.522 176.531 -1.009 1
1 871 . 9 1 1 A 73 73 GLU CA C 73 57.443 57.798 -0.355 1
1 872 . 9 1 1 A 73 73 GLU CB C 73 31.378 30.635 0.743 1
1 874 . 9 1 1 A 73 73 GLU N N 73 118.421 117.957 0.464 1
1 875 . 9 1 1 A 74 74 VAL H H 74 6.862 7.611 -0.749 1
1 876 . 9 1 1 A 74 74 VAL HA H 74 4.281 4.252 0.029 1
1 884 . 9 1 1 A 74 74 VAL C C 74 175.773 175.570 0.203 1
1 885 . 9 1 1 A 74 74 VAL CA C 74 57.468 61.027 -3.559 1
1 886 . 9 1 1 A 74 74 VAL CB C 74 36.344 33.064 3.280 1
1 889 . 9 1 1 A 74 74 VAL N N 74 108.919 116.576 -7.657 1
1 890 . 9 1 1 A 75 75 ILE H H 75 7.462 9.063 -1.601 1
1 891 . 9 1 1 A 75 75 ILE HA H 75 3.844 4.265 -0.421 1
1 901 . 9 1 1 A 75 75 ILE C C 75 177.618 177.191 0.427 1
1 902 . 9 1 1 A 75 75 ILE CA C 75 62.213 62.276 -0.063 1
1 903 . 9 1 1 A 75 75 ILE CB C 75 37.337 38.068 -0.731 1
1 907 . 9 1 1 A 75 75 ILE N N 75 113.373 123.533 -10.160 1
1 908 . 9 1 1 A 76 76 LYS H H 76 9.047 8.184 0.863 1
1 909 . 9 1 1 A 76 76 LYS HA H 76 4.282 4.426 -0.144 1
1 918 . 9 1 1 A 76 76 LYS C C 76 180.009 178.450 1.559 1
1 919 . 9 1 1 A 76 76 LYS CA C 76 59.482 56.994 2.488 1
1 920 . 9 1 1 A 76 76 LYS CB C 76 32.740 34.709 -1.969 1
1 924 . 9 1 1 A 76 76 LYS N N 76 124.954 120.950 4.004 1
1 925 . 9 1 1 A 77 77 GLY H H 77 9.775 8.174 1.601 1
1 926 . 9 1 1 A 77 77 GLY HA2 H 77 3.786 3.279 0.507 1
1 927 . 9 1 1 A 77 77 GLY HA3 H 77 3.618 3.308 0.310 1
1 928 . 9 1 1 A 77 77 GLY C C 77 175.261 176.504 -1.243 1
1 929 . 9 1 1 A 77 77 GLY CA C 77 47.402 47.092 0.310 1
1 930 . 9 1 1 A 77 77 GLY N N 77 101.199 107.787 -6.588 1
1 931 . 9 1 1 A 78 78 TRP H H 78 7.817 8.036 -0.219 1
1 932 . 9 1 1 A 78 78 TRP HA H 78 4.017 4.835 -0.818 1
1 940 . 9 1 1 A 78 78 TRP C C 78 177.610 177.984 -0.374 1
1 941 . 9 1 1 A 78 78 TRP CA C 78 61.524 60.214 1.310 1
1 942 . 9 1 1 A 78 78 TRP CB C 78 28.655 30.046 -1.391 1
1 943 . 9 1 1 A 78 78 TRP N N 78 120.203 122.477 -2.274 1
1 944 . 9 1 1 A 79 79 ASP H H 79 6.967 8.361 -1.394 1
1 945 . 9 1 1 A 79 79 ASP HA H 79 4.738 4.478 0.260 1
1 948 . 9 1 1 A 79 79 ASP C C 79 179.125 179.117 0.008 1
1 949 . 9 1 1 A 79 79 ASP CA C 79 58.492 57.804 0.688 1
1 950 . 9 1 1 A 79 79 ASP CB C 79 41.181 41.677 -0.496 1
1 951 . 9 1 1 A 79 79 ASP N N 79 121.688 120.105 1.583 1
1 952 . 9 1 1 A 80 80 ILE H H 80 8.173 7.993 0.180 1
1 953 . 9 1 1 A 80 80 ILE HA H 80 3.617 3.784 -0.167 1
1 963 . 9 1 1 A 80 80 ILE C C 80 177.849 177.967 -0.118 1
1 964 . 9 1 1 A 80 80 ILE CA C 80 64.758 64.629 0.129 1
1 965 . 9 1 1 A 80 80 ILE CB C 80 39.198 37.103 2.095 1
1 969 . 9 1 1 A 80 80 ILE N N 80 118.125 118.911 -0.786 1
1 970 . 9 1 1 A 81 81 CYS H H 81 7.961 8.288 -0.327 1
1 971 . 9 1 1 A 81 81 CYS HA H 81 4.456 4.158 0.298 1
1 974 . 9 1 1 A 81 81 CYS C C 81 178.812 176.758 2.054 1
1 975 . 9 1 1 A 81 81 CYS CA C 81 63.059 62.570 0.489 1
1 976 . 9 1 1 A 81 81 CYS CB C 81 27.732 27.034 0.698 1
1 977 . 9 1 1 A 81 81 CYS N N 81 116.937 121.099 -4.162 1
1 978 . 9 1 1 A 82 82 VAL H H 82 9.434 8.445 0.989 1
1 979 . 9 1 1 A 82 82 VAL HA H 82 3.476 3.878 -0.402 1
1 987 . 9 1 1 A 82 82 VAL C C 82 176.456 177.799 -1.343 1
1 988 . 9 1 1 A 82 82 VAL CA C 82 66.977 65.006 1.971 1
1 989 . 9 1 1 A 82 82 VAL CB C 82 30.171 31.572 -1.401 1
1 992 . 9 1 1 A 82 82 VAL N N 82 121.688 118.903 2.785 1
1 993 . 9 1 1 A 83 83 SER H H 83 7.541 7.726 -0.185 1
1 994 . 9 1 1 A 83 83 SER HA H 83 3.964 4.407 -0.443 1
1 997 . 9 1 1 A 83 83 SER C C 83 173.661 174.997 -1.336 1
1 998 . 9 1 1 A 83 83 SER CA C 83 61.551 59.025 2.526 1
1 999 . 9 1 1 A 83 83 SER CB C 83 63.239 62.944 0.295 1
1 1000 . 9 1 1 A 83 83 SER N N 83 111.889 117.269 -5.380 1
1 1001 . 9 1 1 A 84 84 SER H H 84 7.471 8.142 -0.671 1
1 1002 . 9 1 1 A 84 84 SER HA H 84 4.530 4.691 -0.161 1
1 1005 . 9 1 1 A 84 84 SER C C 84 174.314 173.541 0.773 1
1 1006 . 9 1 1 A 84 84 SER CA C 84 58.440 57.210 1.230 1
1 1007 . 9 1 1 A 84 84 SER CB C 84 65.929 63.900 2.029 1
1 1008 . 9 1 1 A 84 84 SER N N 84 114.264 115.322 -1.058 1
1 1009 . 9 1 1 A 85 85 MET H H 85 7.441 7.222 0.219 1
1 1010 . 9 1 1 A 85 85 MET HA H 85 4.262 5.006 -0.744 1
1 1015 . 9 1 1 A 85 85 MET C C 85 172.768 174.692 -1.924 1
1 1016 . 9 1 1 A 85 85 MET CA C 85 56.502 54.167 2.335 1
1 1017 . 9 1 1 A 85 85 MET CB C 85 36.378 34.748 1.630 1
1 1019 . 9 1 1 A 85 85 MET N N 85 124.657 120.590 4.067 1
1 1020 . 9 1 1 A 86 86 ARG H H 86 7.045 8.620 -1.575 1
1 1021 . 9 1 1 A 86 86 ARG HA H 86 4.879 4.176 0.703 1
1 1028 . 9 1 1 A 86 86 ARG C C 86 177.468 177.080 0.388 1
1 1029 . 9 1 1 A 86 86 ARG CA C 86 53.395 55.802 -2.407 1
1 1030 . 9 1 1 A 86 86 ARG CB C 86 33.244 31.508 1.736 1
1 1033 . 9 1 1 A 86 86 ARG N N 86 114.264 126.530 -12.266 1
1 1034 . 9 1 1 A 87 87 LYS H H 87 8.818 8.625 0.193 1
1 1035 . 9 1 1 A 87 87 LYS HA H 87 3.554 4.108 -0.554 1
1 1044 . 9 1 1 A 87 87 LYS C C 87 175.382 177.550 -2.168 1
1 1045 . 9 1 1 A 87 87 LYS CA C 87 60.175 58.197 1.978 1
1 1046 . 9 1 1 A 87 87 LYS CB C 87 33.195 32.523 0.672 1
1 1050 . 9 1 1 A 87 87 LYS N N 87 121.391 126.293 -4.902 1
1 1051 . 9 1 1 A 88 88 ASN H H 88 8.943 7.738 1.205 1
1 1052 . 9 1 1 A 88 88 ASN HA H 88 4.291 4.964 -0.673 1
1 1057 . 9 1 1 A 88 88 ASN C C 88 174.124 173.887 0.237 1
1 1058 . 9 1 1 A 88 88 ASN CA C 88 56.703 52.961 3.742 1
1 1059 . 9 1 1 A 88 88 ASN CB C 88 36.677 39.743 -3.066 1
1 1060 . 9 1 1 A 88 88 ASN N N 88 116.640 115.483 1.157 1
1 1062 . 9 1 1 A 89 89 GLU H H 89 8.677 7.451 1.226 1
1 1063 . 9 1 1 A 89 89 GLU HA H 89 4.358 5.026 -0.668 1
1 1068 . 9 1 1 A 89 89 GLU C C 89 174.903 174.412 0.491 1
1 1069 . 9 1 1 A 89 89 GLU CA C 89 56.190 54.742 1.448 1
1 1070 . 9 1 1 A 89 89 GLU CB C 89 33.096 33.325 -0.229 1
1 1072 . 9 1 1 A 89 89 GLU N N 89 122.876 120.743 2.133 1
1 1073 . 9 1 1 A 90 90 LYS H H 90 8.580 8.714 -0.134 1
1 1074 . 9 1 1 A 90 90 LYS HA H 90 5.542 4.796 0.746 1
1 1083 . 9 1 1 A 90 90 LYS C C 90 175.593 174.414 1.179 1
1 1084 . 9 1 1 A 90 90 LYS CA C 90 54.210 55.958 -1.748 1
1 1085 . 9 1 1 A 90 90 LYS CB C 90 36.189 36.156 0.033 1
1 1089 . 9 1 1 A 90 90 LYS N N 90 123.469 123.621 -0.152 1
1 1090 . 9 1 1 A 91 91 CYS H H 91 9.673 8.624 1.049 1
1 1091 . 9 1 1 A 91 91 CYS HA H 91 5.524 5.336 0.188 1
1 1094 . 9 1 1 A 91 91 CYS C C 91 170.527 172.811 -2.284 1
1 1095 . 9 1 1 A 91 91 CYS CA C 91 54.690 57.406 -2.716 1
1 1096 . 9 1 1 A 91 91 CYS CB C 91 32.542 32.076 0.466 1
1 1097 . 9 1 1 A 91 91 CYS N N 91 122.579 124.677 -2.098 1
1 1098 . 9 1 1 A 92 92 LEU H H 92 8.984 8.983 0.001 1
1 1099 . 9 1 1 A 92 92 LEU HA H 92 5.458 5.116 0.342 1
1 1109 . 9 1 1 A 92 92 LEU C C 92 175.596 174.962 0.634 1
1 1110 . 9 1 1 A 92 92 LEU CA C 92 53.413 53.374 0.039 1
1 1111 . 9 1 1 A 92 92 LEU CB C 92 44.972 43.703 1.269 1
1 1115 . 9 1 1 A 92 92 LEU N N 92 122.282 122.911 -0.629 1
1 1116 . 9 1 1 A 93 93 VAL H H 93 10.107 8.612 1.495 1
1 1117 . 9 1 1 A 93 93 VAL HA H 93 5.506 4.748 0.758 1
1 1125 . 9 1 1 A 93 93 VAL C C 93 171.051 173.929 -2.878 1
1 1126 . 9 1 1 A 93 93 VAL CA C 93 58.200 59.786 -1.586 1
1 1127 . 9 1 1 A 93 93 VAL CB C 93 35.276 34.076 1.200 1
1 1130 . 9 1 1 A 93 93 VAL N N 93 126.224 125.734 0.490 1
1 1131 . 9 1 1 A 94 94 ARG H H 94 8.949 8.907 0.042 1
1 1132 . 9 1 1 A 94 94 ARG HA H 94 5.133 4.739 0.394 1
1 1139 . 9 1 1 A 94 94 ARG C C 94 175.823 175.046 0.777 1
1 1140 . 9 1 1 A 94 94 ARG CA C 94 56.219 55.318 0.901 1
1 1141 . 9 1 1 A 94 94 ARG CB C 94 32.039 30.913 1.126 1
1 1144 . 9 1 1 A 94 94 ARG N N 94 130.596 127.257 3.339 1
1 1145 . 9 1 1 A 95 95 ILE H H 95 9.655 9.160 0.495 1
1 1146 . 9 1 1 A 95 95 ILE HA H 95 4.899 4.477 0.422 1
1 1156 . 9 1 1 A 95 95 ILE C C 95 175.215 175.220 -0.005 1
1 1157 . 9 1 1 A 95 95 ILE CA C 95 60.582 60.836 -0.254 1
1 1158 . 9 1 1 A 95 95 ILE CB C 95 37.359 37.214 0.145 1
1 1162 . 9 1 1 A 95 95 ILE N N 95 129.905 126.518 3.387 1
1 1163 . 9 1 1 A 96 96 GLU H H 96 9.213 8.252 0.961 1
1 1164 . 9 1 1 A 96 96 GLU HA H 96 4.320 4.286 0.034 1
1 1169 . 9 1 1 A 96 96 GLU C C 96 177.897 177.507 0.390 1
1 1170 . 9 1 1 A 96 96 GLU CA C 96 57.568 56.081 1.487 1
1 1171 . 9 1 1 A 96 96 GLU CB C 96 29.676 31.040 -1.364 1
1 1173 . 9 1 1 A 96 96 GLU N N 96 126.439 128.629 -2.190 1
1 1174 . 9 1 1 A 97 97 SER H H 97 8.693 8.877 -0.184 1
1 1175 . 9 1 1 A 97 97 SER HA H 97 4.370 4.083 0.287 1
1 1178 . 9 1 1 A 97 97 SER C C 97 178.668 175.489 3.179 1
1 1179 . 9 1 1 A 97 97 SER CA C 97 62.800 61.815 0.985 1
1 1180 . 9 1 1 A 97 97 SER CB C 97 64.591 62.461 2.130 1
1 1181 . 9 1 1 A 97 97 SER N N 97 115.749 120.251 -4.502 1
1 1182 . 9 1 1 A 98 98 MET H H 98 8.937 8.202 0.735 1
1 1183 . 9 1 1 A 98 98 MET HA H 98 4.170 4.286 -0.116 1
1 1188 . 9 1 1 A 98 98 MET C C 98 179.250 176.369 2.881 1
1 1189 . 9 1 1 A 98 98 MET CA C 98 58.702 57.054 1.648 1
1 1190 . 9 1 1 A 98 98 MET CB C 98 31.047 31.904 -0.857 1
1 1192 . 9 1 1 A 98 98 MET N N 98 121.985 118.483 3.502 1
1 1193 . 9 1 1 A 99 99 TYR H H 99 7.927 7.968 -0.041 1
1 1194 . 9 1 1 A 99 99 TYR HA H 99 4.435 4.633 -0.198 1
1 1201 . 9 1 1 A 99 99 TYR C C 99 173.125 175.956 -2.831 1
1 1202 . 9 1 1 A 99 99 TYR CA C 99 58.064 58.294 -0.230 1
1 1203 . 9 1 1 A 99 99 TYR CB C 99 39.570 38.743 0.827 1
1 1204 . 9 1 1 A 99 99 TYR N N 99 116.640 118.281 -1.641 1
1 1205 . 9 1 1 A 100 100 GLY H H 100 7.802 7.776 0.026 1
1 1206 . 9 1 1 A 100 100 GLY HA2 H 100 3.223 4.307 -1.084 1
1 1207 . 9 1 1 A 100 100 GLY HA3 H 100 4.309 4.370 -0.061 1
1 1208 . 9 1 1 A 100 100 GLY C C 100 173.213 174.305 -1.092 1
1 1209 . 9 1 1 A 100 100 GLY CA C 100 45.062 44.769 0.293 1
1 1210 . 9 1 1 A 100 100 GLY N N 100 110.998 107.370 3.628 1
1 1211 . 9 1 1 A 101 101 TYR H H 101 9.407 8.893 0.514 1
1 1212 . 9 1 1 A 101 101 TYR HA H 101 4.443 4.612 -0.169 1
1 1219 . 9 1 1 A 101 101 TYR C C 101 176.014 176.272 -0.258 1
1 1220 . 9 1 1 A 101 101 TYR CA C 101 58.944 58.256 0.688 1
1 1221 . 9 1 1 A 101 101 TYR CB C 101 37.732 38.777 -1.045 1
1 1222 . 9 1 1 A 101 101 TYR N N 101 126.439 119.002 7.437 1
1 1223 . 9 1 1 A 102 102 GLY H H 102 8.231 8.279 -0.048 1
1 1224 . 9 1 1 A 102 102 GLY HA2 H 102 4.001 3.895 0.106 1
1 1225 . 9 1 1 A 102 102 GLY HA3 H 102 3.715 3.900 -0.185 1
1 1226 . 9 1 1 A 102 102 GLY C C 102 175.685 174.753 0.932 1
1 1227 . 9 1 1 A 102 102 GLY CA C 102 46.447 46.918 -0.471 1
1 1228 . 9 1 1 A 102 102 GLY N N 102 107.138 108.826 -1.688 1
1 1229 . 9 1 1 A 103 103 ASP H H 103 8.983 9.018 -0.035 1
1 1230 . 9 1 1 A 103 103 ASP HA H 103 4.277 4.628 -0.351 1
1 1233 . 9 1 1 A 103 103 ASP C C 103 176.677 178.362 -1.685 1
1 1234 . 9 1 1 A 103 103 ASP CA C 103 56.352 56.130 0.222 1
1 1235 . 9 1 1 A 103 103 ASP CB C 103 40.640 40.850 -0.210 1
1 1236 . 9 1 1 A 103 103 ASP N N 103 124.954 125.427 -0.473 1
1 1237 . 9 1 1 A 104 104 GLU H H 104 8.552 8.051 0.501 1
1 1238 . 9 1 1 A 104 104 GLU HA H 104 4.139 4.051 0.088 1
1 1243 . 9 1 1 A 104 104 GLU C C 104 179.142 177.725 1.417 1
1 1244 . 9 1 1 A 104 104 GLU CA C 104 58.100 59.478 -1.378 1
1 1245 . 9 1 1 A 104 104 GLU CB C 104 30.076 29.294 0.782 1
1 1247 . 9 1 1 A 104 104 GLU N N 104 117.531 118.877 -1.346 1
1 1248 . 9 1 1 A 105 105 GLY H H 105 7.188 7.641 -0.453 1
1 1249 . 9 1 1 A 105 105 GLY HA2 H 105 3.137 4.118 -0.981 1
1 1250 . 9 1 1 A 105 105 GLY HA3 H 105 4.012 4.247 -0.235 1
1 1251 . 9 1 1 A 105 105 GLY C C 105 171.730 173.213 -1.483 1
1 1252 . 9 1 1 A 105 105 GLY CA C 105 44.214 45.107 -0.893 1
1 1253 . 9 1 1 A 105 105 GLY N N 105 104.168 108.161 -3.993 1
1 1254 . 9 1 1 A 106 106 CYS H H 106 9.026 8.223 0.803 1
1 1255 . 9 1 1 A 106 106 CYS HA H 106 4.253 4.455 -0.202 1
1 1258 . 9 1 1 A 106 106 CYS C C 106 173.438 175.519 -2.081 1
1 1259 . 9 1 1 A 106 106 CYS CA C 106 57.814 59.075 -1.261 1
1 1260 . 9 1 1 A 106 106 CYS CB C 106 26.162 27.856 -1.694 1
1 1261 . 9 1 1 A 106 106 CYS N N 106 121.949 118.113 3.836 1
1 1262 . 9 1 1 A 107 107 GLY H H 107 8.584 8.517 0.067 1
1 1263 . 9 1 1 A 107 107 GLY HA2 H 107 3.706 4.233 -0.527 1
1 1264 . 9 1 1 A 107 107 GLY HA3 H 107 3.954 4.262 -0.308 1
1 1265 . 9 1 1 A 107 107 GLY C C 107 173.461 174.805 -1.344 1
1 1266 . 9 1 1 A 107 107 GLY CA C 107 45.258 44.269 0.989 1
1 1267 . 9 1 1 A 107 107 GLY N N 107 114.561 110.377 4.184 1
1 1268 . 9 1 1 A 108 108 GLU H H 108 8.503 8.922 -0.419 1
1 1269 . 9 1 1 A 108 108 GLU HA H 108 4.051 4.347 -0.296 1
1 1274 . 9 1 1 A 108 108 GLU C C 108 178.118 177.539 0.579 1
1 1275 . 9 1 1 A 108 108 GLU CA C 108 57.478 58.514 -1.036 1
1 1276 . 9 1 1 A 108 108 GLU CB C 108 29.835 30.085 -0.250 1
1 1278 . 9 1 1 A 108 108 GLU N N 108 119.609 118.690 0.919 1
1 1279 . 9 1 1 A 109 109 SER H H 109 8.082 8.354 -0.272 1
1 1280 . 9 1 1 A 109 109 SER HA H 109 4.127 4.655 -0.528 1
1 1283 . 9 1 1 A 109 109 SER C C 109 173.569 174.031 -0.462 1
1 1284 . 9 1 1 A 109 109 SER CA C 109 60.141 59.716 0.425 1
1 1285 . 9 1 1 A 109 109 SER CB C 109 63.935 64.105 -0.170 1
1 1286 . 9 1 1 A 109 109 SER N N 109 112.186 114.057 -1.871 1
1 1287 . 9 1 1 A 110 110 ILE H H 110 6.570 7.896 -1.326 1
1 1288 . 9 1 1 A 110 110 ILE HA H 110 4.235 4.564 -0.329 1
1 1298 . 9 1 1 A 110 110 ILE CA C 110 58.031 58.123 -0.092 1
1 1299 . 9 1 1 A 110 110 ILE CB C 110 39.086 38.070 1.016 1
1 1303 . 9 1 1 A 110 110 ILE N N 110 116.937 116.030 0.907 1
1 1304 . 9 1 1 A 111 111 PRO HA H 111 4.510 4.878 -0.368 1
1 1311 . 9 1 1 A 111 111 PRO C C 111 179.076 176.390 2.686 1
1 1312 . 9 1 1 A 111 111 PRO CA C 111 61.703 62.847 -1.144 1
1 1313 . 9 1 1 A 111 111 PRO CB C 111 32.729 32.691 0.038 1
1 1316 . 9 1 1 A 112 112 GLY H H 112 9.018 8.395 0.623 1
1 1317 . 9 1 1 A 112 112 GLY HA2 H 112 3.461 4.195 -0.734 1
1 1318 . 9 1 1 A 112 112 GLY HA3 H 112 3.714 4.207 -0.493 1
1 1319 . 9 1 1 A 112 112 GLY C C 112 172.723 174.284 -1.561 1
1 1320 . 9 1 1 A 112 112 GLY CA C 112 46.262 44.566 1.696 1
1 1321 . 9 1 1 A 112 112 GLY N N 112 111.592 107.089 4.503 1
1 1322 . 9 1 1 A 113 113 ASN H H 113 8.381 8.833 -0.452 1
1 1323 . 9 1 1 A 113 113 ASN HA H 113 4.278 4.841 -0.563 1
1 1328 . 9 1 1 A 113 113 ASN C C 113 174.643 175.042 -0.399 1
1 1329 . 9 1 1 A 113 113 ASN CA C 113 54.388 52.422 1.966 1
1 1330 . 9 1 1 A 113 113 ASN CB C 113 37.204 38.786 -1.582 1
1 1331 . 9 1 1 A 113 113 ASN N N 113 116.937 124.226 -7.289 1
1 1333 . 9 1 1 A 114 114 SER H H 114 7.617 7.616 0.001 1
1 1334 . 9 1 1 A 114 114 SER HA H 114 4.517 4.972 -0.455 1
1 1337 . 9 1 1 A 114 114 SER C C 114 172.904 172.865 0.039 1
1 1338 . 9 1 1 A 114 114 SER CA C 114 59.864 57.556 2.308 1
1 1339 . 9 1 1 A 114 114 SER CB C 114 64.678 65.011 -0.333 1
1 1340 . 9 1 1 A 114 114 SER N N 114 113.077 115.877 -2.800 1
1 1341 . 9 1 1 A 115 115 VAL H H 115 8.500 8.661 -0.161 1
1 1342 . 9 1 1 A 115 115 VAL HA H 115 4.341 4.827 -0.486 1
1 1350 . 9 1 1 A 115 115 VAL C C 115 176.075 174.402 1.673 1
1 1351 . 9 1 1 A 115 115 VAL CA C 115 62.705 61.406 1.299 1
1 1352 . 9 1 1 A 115 115 VAL CB C 115 31.546 33.477 -1.931 1
1 1355 . 9 1 1 A 115 115 VAL N N 115 124.360 125.678 -1.318 1
1 1356 . 9 1 1 A 116 116 LEU H H 116 9.104 8.620 0.484 1
1 1357 . 9 1 1 A 116 116 LEU HA H 116 5.002 4.931 0.071 1
1 1367 . 9 1 1 A 116 116 LEU C C 116 174.923 175.724 -0.801 1
1 1368 . 9 1 1 A 116 116 LEU CA C 116 53.123 53.312 -0.189 1
1 1369 . 9 1 1 A 116 116 LEU CB C 116 45.379 45.639 -0.260 1
1 1373 . 9 1 1 A 116 116 LEU N N 116 128.814 129.511 -0.697 1
1 1374 . 9 1 1 A 117 117 LEU H H 117 9.009 8.054 0.955 1
1 1375 . 9 1 1 A 117 117 LEU HA H 117 5.601 5.249 0.352 1
1 1385 . 9 1 1 A 117 117 LEU C C 117 176.574 175.159 1.415 1
1 1386 . 9 1 1 A 117 117 LEU CA C 117 52.750 52.882 -0.132 1
1 1387 . 9 1 1 A 117 117 LEU CB C 117 44.693 44.843 -0.150 1
1 1391 . 9 1 1 A 117 117 LEU N N 117 121.391 117.083 4.308 1
1 1392 . 9 1 1 A 118 118 PHE H H 118 9.375 8.711 0.664 1
1 1393 . 9 1 1 A 118 118 PHE HA H 118 6.155 4.988 1.167 1
1 1401 . 9 1 1 A 118 118 PHE C C 118 176.518 175.736 0.782 1
1 1402 . 9 1 1 A 118 118 PHE CA C 118 55.411 56.373 -0.962 1
1 1403 . 9 1 1 A 118 118 PHE CB C 118 42.385 42.037 0.348 1
1 1404 . 9 1 1 A 118 118 PHE N N 118 117.531 122.146 -4.615 1
1 1405 . 9 1 1 A 119 119 GLU H H 119 8.905 9.657 -0.752 1
1 1406 . 9 1 1 A 119 119 GLU HA H 119 5.604 4.747 0.857 1
1 1411 . 9 1 1 A 119 119 GLU C C 119 175.947 175.717 0.230 1
1 1412 . 9 1 1 A 119 119 GLU CA C 119 60.489 56.666 3.823 1
1 1413 . 9 1 1 A 119 119 GLU CB C 119 31.189 30.305 0.884 1
1 1415 . 9 1 1 A 119 119 GLU N N 119 122.876 122.215 0.661 1
1 1416 . 9 1 1 A 120 120 ILE H H 120 8.912 8.675 0.237 1
1 1417 . 9 1 1 A 120 120 ILE HA H 120 4.965 5.064 -0.099 1
1 1427 . 9 1 1 A 120 120 ILE C C 120 173.341 175.679 -2.338 1
1 1428 . 9 1 1 A 120 120 ILE CA C 120 60.568 59.913 0.655 1
1 1429 . 9 1 1 A 120 120 ILE CB C 120 41.927 40.124 1.803 1
1 1433 . 9 1 1 A 120 120 ILE N N 120 123.000 126.796 -3.796 1
1 1434 . 9 1 1 A 121 121 GLU H H 121 9.074 8.884 0.190 1
1 1435 . 9 1 1 A 121 121 GLU HA H 121 5.445 4.962 0.483 1
1 1440 . 9 1 1 A 121 121 GLU C C 121 175.254 174.710 0.544 1
1 1441 . 9 1 1 A 121 121 GLU CA C 121 53.941 54.634 -0.693 1
1 1442 . 9 1 1 A 121 121 GLU CB C 121 33.897 32.196 1.701 1
1 1444 . 9 1 1 A 121 121 GLU N N 121 128.221 126.152 2.069 1
1 1445 . 9 1 1 A 122 122 LEU H H 122 8.112 8.680 -0.568 1
1 1446 . 9 1 1 A 122 122 LEU HA H 122 4.680 4.339 0.341 1
1 1456 . 9 1 1 A 122 122 LEU C C 122 174.472 176.845 -2.373 1
1 1457 . 9 1 1 A 122 122 LEU CA C 122 54.403 54.300 0.103 1
1 1458 . 9 1 1 A 122 122 LEU CB C 122 40.796 41.304 -0.508 1
1 1462 . 9 1 1 A 122 122 LEU N N 122 127.033 127.365 -0.332 1
1 1463 . 9 1 1 A 123 123 LEU H H 123 8.704 8.224 0.480 1
1 1464 . 9 1 1 A 123 123 LEU HA H 123 4.385 4.325 0.060 1
1 1474 . 9 1 1 A 123 123 LEU C C 123 177.614 177.167 0.447 1
1 1475 . 9 1 1 A 123 123 LEU CA C 123 57.095 55.780 1.315 1
1 1476 . 9 1 1 A 123 123 LEU CB C 123 42.226 42.273 -0.047 1
1 1480 . 9 1 1 A 123 123 LEU N N 123 128.814 123.458 5.356 1
1 1481 . 9 1 1 A 124 124 SER H H 124 7.602 7.414 0.188 1
1 1482 . 9 1 1 A 124 124 SER HA H 124 4.161 5.234 -1.073 1
1 1485 . 9 1 1 A 124 124 SER C C 124 171.375 172.977 -1.602 1
1 1486 . 9 1 1 A 124 124 SER CA C 124 57.545 57.746 -0.201 1
1 1487 . 9 1 1 A 124 124 SER CB C 124 63.359 67.082 -3.723 1
1 1488 . 9 1 1 A 124 124 SER N N 124 105.653 114.490 -8.837 1
1 1489 . 9 1 1 A 125 125 PHE H H 125 7.818 8.924 -1.106 1
1 1490 . 9 1 1 A 125 125 PHE HA H 125 5.451 5.326 0.125 1
1 1498 . 9 1 1 A 125 125 PHE C C 125 173.154 173.254 -0.100 1
1 1499 . 9 1 1 A 125 125 PHE CA C 125 56.463 56.203 0.260 1
1 1500 . 9 1 1 A 125 125 PHE CB C 125 42.301 41.130 1.171 1
1 1501 . 9 1 1 A 125 125 PHE N N 125 113.373 119.871 -6.498 1
1 1502 . 9 1 1 A 126 126 ARG H H 126 8.934 8.644 0.290 1
1 1503 . 9 1 1 A 126 126 ARG HA H 126 4.693 4.777 -0.084 1
1 1510 . 9 1 1 A 126 126 ARG C C 126 174.013 173.951 0.062 1
1 1511 . 9 1 1 A 126 126 ARG CA C 126 54.654 54.628 0.026 1
1 1512 . 9 1 1 A 126 126 ARG CB C 126 33.064 34.075 -1.011 1
1 1515 . 9 1 1 A 126 126 ARG N N 126 116.046 118.158 -2.112 1
1 1516 . 9 1 1 A 127 127 GLU H H 127 8.665 8.592 0.073 1
1 1517 . 9 1 1 A 127 127 GLU HA H 127 4.436 4.658 -0.222 1
1 1522 . 9 1 1 A 127 127 GLU C C 127 176.050 176.486 -0.436 1
1 1523 . 9 1 1 A 127 127 GLU CA C 127 55.552 55.742 -0.190 1
1 1524 . 9 1 1 A 127 127 GLU CB C 127 30.600 31.082 -0.482 1
1 1 . 10 1 1 A 2 2 THR HA H 2 4.479 4.504 -0.025 1
1 6 . 10 1 1 A 2 2 THR C C 2 174.348 174.741 -0.393 1
1 7 . 10 1 1 A 2 2 THR CA C 2 61.838 61.376 0.462 1
1 8 . 10 1 1 A 2 2 THR CB C 2 69.919 66.569 3.350 1
1 10 . 10 1 1 A 3 3 THR H H 3 8.289 8.088 0.201 1
1 11 . 10 1 1 A 3 3 THR HA H 3 4.282 4.499 -0.217 1
1 16 . 10 1 1 A 3 3 THR C C 3 174.404 175.039 -0.635 1
1 17 . 10 1 1 A 3 3 THR CA C 3 62.140 62.269 -0.129 1
1 18 . 10 1 1 A 3 3 THR CB C 3 69.658 69.790 -0.132 1
1 20 . 10 1 1 A 3 3 THR N N 3 116.640 115.960 0.680 1
1 21 . 10 1 1 A 4 4 GLU H H 4 8.567 7.670 0.897 1
1 22 . 10 1 1 A 4 4 GLU HA H 4 4.156 4.482 -0.326 1
1 27 . 10 1 1 A 4 4 GLU C C 4 176.216 175.574 0.642 1
1 28 . 10 1 1 A 4 4 GLU CA C 4 56.929 56.320 0.609 1
1 29 . 10 1 1 A 4 4 GLU CB C 4 29.821 30.767 -0.946 1
1 31 . 10 1 1 A 4 4 GLU N N 4 123.469 122.927 0.542 1
1 32 . 10 1 1 A 5 5 GLN H H 5 8.222 8.900 -0.678 1
1 33 . 10 1 1 A 5 5 GLN HA H 5 4.167 4.972 -0.805 1
1 40 . 10 1 1 A 5 5 GLN C C 5 175.216 173.329 1.887 1
1 41 . 10 1 1 A 5 5 GLN CA C 5 55.674 54.401 1.273 1
1 42 . 10 1 1 A 5 5 GLN CB C 5 29.553 32.849 -3.296 1
1 45 . 10 1 1 A 5 5 GLN N N 5 120.797 122.865 -2.068 1
1 47 . 10 1 1 A 6 6 GLU H H 6 8.171 8.658 -0.487 1
1 48 . 10 1 1 A 6 6 GLU HA H 6 4.080 4.768 -0.688 1
1 53 . 10 1 1 A 6 6 GLU C C 6 175.870 174.776 1.094 1
1 54 . 10 1 1 A 6 6 GLU CA C 6 56.400 55.028 1.372 1
1 55 . 10 1 1 A 6 6 GLU CB C 6 30.335 30.535 -0.200 1
1 57 . 10 1 1 A 6 6 GLU N N 6 122.100 121.364 0.736 1
1 58 . 10 1 1 A 7 7 PHE H H 7 8.051 8.838 -0.787 1
1 59 . 10 1 1 A 7 7 PHE HA H 7 4.710 4.963 -0.253 1
1 67 . 10 1 1 A 7 7 PHE C C 7 175.461 174.467 0.994 1
1 68 . 10 1 1 A 7 7 PHE CA C 7 56.825 56.373 0.452 1
1 69 . 10 1 1 A 7 7 PHE CB C 7 39.812 41.991 -2.179 1
1 70 . 10 1 1 A 7 7 PHE N N 7 120.500 126.739 -6.239 1
1 71 . 10 1 1 A 8 8 GLU H H 8 8.626 8.764 -0.138 1
1 72 . 10 1 1 A 8 8 GLU HA H 8 4.193 4.511 -0.318 1
1 77 . 10 1 1 A 8 8 GLU C C 8 176.141 176.570 -0.429 1
1 78 . 10 1 1 A 8 8 GLU CA C 8 56.932 56.357 0.575 1
1 79 . 10 1 1 A 8 8 GLU CB C 8 30.794 30.608 0.186 1
1 81 . 10 1 1 A 8 8 GLU N N 8 123.469 124.459 -0.990 1
1 82 . 10 1 1 A 9 9 LYS H H 9 8.396 8.565 -0.169 1
1 83 . 10 1 1 A 9 9 LYS HA H 9 5.100 4.721 0.379 1
1 92 . 10 1 1 A 9 9 LYS C C 9 176.168 176.050 0.118 1
1 93 . 10 1 1 A 9 9 LYS CA C 9 55.428 55.316 0.112 1
1 94 . 10 1 1 A 9 9 LYS CB C 9 34.214 34.315 -0.101 1
1 98 . 10 1 1 A 9 9 LYS N N 9 124.954 124.537 0.417 1
1 99 . 10 1 1 A 10 10 VAL H H 10 9.445 8.846 0.599 1
1 100 . 10 1 1 A 10 10 VAL HA H 10 4.278 4.459 -0.181 1
1 108 . 10 1 1 A 10 10 VAL C C 10 174.967 174.987 -0.020 1
1 109 . 10 1 1 A 10 10 VAL CA C 10 60.951 61.388 -0.437 1
1 110 . 10 1 1 A 10 10 VAL CB C 10 34.681 32.004 2.677 1
1 113 . 10 1 1 A 10 10 VAL N N 10 124.360 122.320 2.040 1
1 114 . 10 1 1 A 11 11 GLU H H 11 9.021 8.857 0.164 1
1 115 . 10 1 1 A 11 11 GLU HA H 11 4.369 4.619 -0.250 1
1 120 . 10 1 1 A 11 11 GLU C C 11 174.797 176.489 -1.692 1
1 121 . 10 1 1 A 11 11 GLU CA C 11 56.728 55.676 1.052 1
1 122 . 10 1 1 A 11 11 GLU CB C 11 28.655 28.802 -0.147 1
1 124 . 10 1 1 A 11 11 GLU N N 11 127.924 127.353 0.571 1
1 125 . 10 1 1 A 12 12 LEU H H 12 8.396 8.527 -0.131 1
1 126 . 10 1 1 A 12 12 LEU HA H 12 4.311 3.915 0.396 1
1 136 . 10 1 1 A 12 12 LEU C C 12 176.600 175.512 1.088 1
1 137 . 10 1 1 A 12 12 LEU CA C 12 55.292 55.461 -0.169 1
1 138 . 10 1 1 A 12 12 LEU CB C 12 42.624 40.560 2.064 1
1 142 . 10 1 1 A 12 12 LEU N N 12 124.954 122.129 2.825 1
1 143 . 10 1 1 A 13 13 THR H H 13 7.328 7.475 -0.147 1
1 144 . 10 1 1 A 13 13 THR HA H 13 4.530 4.396 0.134 1
1 149 . 10 1 1 A 13 13 THR C C 13 175.180 175.975 -0.795 1
1 150 . 10 1 1 A 13 13 THR CA C 13 59.603 62.264 -2.661 1
1 151 . 10 1 1 A 13 13 THR CB C 13 70.742 69.362 1.380 1
1 153 . 10 1 1 A 13 13 THR N N 13 106.841 112.836 -5.995 1
1 154 . 10 1 1 A 14 14 ALA H H 14 8.689 8.919 -0.230 1
1 155 . 10 1 1 A 14 14 ALA HA H 14 4.247 4.029 0.218 1
1 159 . 10 1 1 A 14 14 ALA C C 14 177.522 177.972 -0.450 1
1 160 . 10 1 1 A 14 14 ALA CA C 14 53.875 54.558 -0.683 1
1 161 . 10 1 1 A 14 14 ALA CB C 14 17.920 18.432 -0.512 1
1 162 . 10 1 1 A 14 14 ALA N N 14 123.733 129.049 -5.316 1
1 163 . 10 1 1 A 15 15 ASP H H 15 7.516 7.931 -0.415 1
1 164 . 10 1 1 A 15 15 ASP HA H 15 4.518 4.794 -0.276 1
1 167 . 10 1 1 A 15 15 ASP C C 15 177.402 176.167 1.235 1
1 168 . 10 1 1 A 15 15 ASP CA C 15 52.635 53.556 -0.921 1
1 169 . 10 1 1 A 15 15 ASP CB C 15 40.912 41.114 -0.202 1
1 170 . 10 1 1 A 15 15 ASP N N 15 113.967 117.135 -3.168 1
1 171 . 10 1 1 A 16 16 GLY H H 16 7.986 7.826 0.160 1
1 172 . 10 1 1 A 16 16 GLY HA2 H 16 4.080 4.015 0.065 1
1 173 . 10 1 1 A 16 16 GLY HA3 H 16 3.529 4.025 -0.496 1
1 174 . 10 1 1 A 16 16 GLY C C 16 175.233 175.345 -0.112 1
1 175 . 10 1 1 A 16 16 GLY CA C 16 45.798 44.972 0.826 1
1 176 . 10 1 1 A 16 16 GLY N N 16 108.919 106.868 2.051 1
1 177 . 10 1 1 A 17 17 GLY H H 17 8.681 8.704 -0.023 1
1 178 . 10 1 1 A 17 17 GLY HA2 H 17 4.513 3.881 0.632 1
1 179 . 10 1 1 A 17 17 GLY HA3 H 17 4.513 3.900 0.613 1
1 180 . 10 1 1 A 17 17 GLY C C 17 172.684 174.158 -1.474 1
1 181 . 10 1 1 A 17 17 GLY CA C 17 46.672 46.984 -0.312 1
1 182 . 10 1 1 A 17 17 GLY N N 17 108.663 107.903 0.760 1
1 183 . 10 1 1 A 18 18 VAL H H 18 6.903 7.321 -0.418 1
1 184 . 10 1 1 A 18 18 VAL HA H 18 4.855 4.065 0.790 1
1 192 . 10 1 1 A 18 18 VAL C C 18 174.737 174.509 0.228 1
1 193 . 10 1 1 A 18 18 VAL CA C 18 62.035 60.119 1.916 1
1 194 . 10 1 1 A 18 18 VAL CB C 18 33.315 34.707 -1.392 1
1 197 . 10 1 1 A 18 18 VAL N N 18 117.234 118.653 -1.419 1
1 198 . 10 1 1 A 19 19 ILE H H 19 8.243 8.006 0.237 1
1 199 . 10 1 1 A 19 19 ILE HA H 19 4.665 4.653 0.012 1
1 209 . 10 1 1 A 19 19 ILE C C 19 174.360 175.384 -1.024 1
1 210 . 10 1 1 A 19 19 ILE CA C 19 60.736 60.675 0.061 1
1 211 . 10 1 1 A 19 19 ILE CB C 19 41.856 36.949 4.907 1
1 215 . 10 1 1 A 19 19 ILE N N 19 126.439 127.098 -0.659 1
1 216 . 10 1 1 A 20 20 LYS H H 20 9.345 8.414 0.931 1
1 217 . 10 1 1 A 20 20 LYS HA H 20 5.296 4.900 0.396 1
1 226 . 10 1 1 A 20 20 LYS C C 20 173.618 174.367 -0.749 1
1 227 . 10 1 1 A 20 20 LYS CA C 20 54.842 54.486 0.356 1
1 228 . 10 1 1 A 20 20 LYS CB C 20 36.261 35.997 0.264 1
1 232 . 10 1 1 A 20 20 LYS N N 20 129.408 124.622 4.786 1
1 233 . 10 1 1 A 21 21 THR H H 21 9.597 9.308 0.289 1
1 234 . 10 1 1 A 21 21 THR HA H 21 4.923 4.891 0.032 1
1 239 . 10 1 1 A 21 21 THR C C 21 174.648 173.383 1.265 1
1 240 . 10 1 1 A 21 21 THR CA C 21 61.703 61.935 -0.232 1
1 241 . 10 1 1 A 21 21 THR CB C 21 70.230 70.109 0.121 1
1 243 . 10 1 1 A 21 21 THR N N 21 123.469 117.054 6.415 1
1 244 . 10 1 1 A 22 22 ILE H H 22 9.248 8.870 0.378 1
1 245 . 10 1 1 A 22 22 ILE HA H 22 3.637 4.404 -0.767 1
1 255 . 10 1 1 A 22 22 ILE C C 22 174.348 174.784 -0.436 1
1 256 . 10 1 1 A 22 22 ILE CA C 22 64.258 60.770 3.488 1
1 257 . 10 1 1 A 22 22 ILE CB C 22 37.551 38.766 -1.215 1
1 261 . 10 1 1 A 22 22 ILE N N 22 128.517 128.031 0.486 1
1 262 . 10 1 1 A 23 23 LEU H H 23 8.498 8.687 -0.189 1
1 263 . 10 1 1 A 23 23 LEU HA H 23 4.180 3.248 0.932 1
1 273 . 10 1 1 A 23 23 LEU C C 23 177.521 176.116 1.405 1
1 274 . 10 1 1 A 23 23 LEU CA C 23 55.460 55.521 -0.061 1
1 275 . 10 1 1 A 23 23 LEU CB C 23 42.239 42.085 0.154 1
1 279 . 10 1 1 A 23 23 LEU N N 23 128.517 130.330 -1.813 1
1 280 . 10 1 1 A 24 24 LYS H H 24 8.020 7.528 0.492 1
1 281 . 10 1 1 A 24 24 LYS HA H 24 4.392 4.434 -0.042 1
1 290 . 10 1 1 A 24 24 LYS C C 24 174.465 175.984 -1.519 1
1 291 . 10 1 1 A 24 24 LYS CA C 24 55.848 55.539 0.309 1
1 292 . 10 1 1 A 24 24 LYS CB C 24 35.692 33.497 2.195 1
1 296 . 10 1 1 A 24 24 LYS N N 24 120.797 118.223 2.574 1
1 297 . 10 1 1 A 25 25 LYS H H 25 8.657 8.581 0.076 1
1 298 . 10 1 1 A 25 25 LYS HA H 25 4.178 4.366 -0.188 1
1 307 . 10 1 1 A 25 25 LYS C C 25 177.616 176.935 0.681 1
1 308 . 10 1 1 A 25 25 LYS CA C 25 57.218 56.063 1.155 1
1 309 . 10 1 1 A 25 25 LYS CB C 25 32.846 33.087 -0.241 1
1 313 . 10 1 1 A 25 25 LYS N N 25 126.439 126.951 -0.512 1
1 314 . 10 1 1 A 26 26 GLY H H 26 9.728 9.207 0.521 1
1 315 . 10 1 1 A 26 26 GLY HA2 H 26 3.408 3.980 -0.572 1
1 316 . 10 1 1 A 26 26 GLY HA3 H 26 4.120 3.984 0.136 1
1 317 . 10 1 1 A 26 26 GLY C C 26 173.278 174.690 -1.412 1
1 318 . 10 1 1 A 26 26 GLY CA C 26 43.709 46.458 -2.749 1
1 319 . 10 1 1 A 26 26 GLY N N 26 110.404 110.784 -0.380 1
1 320 . 10 1 1 A 27 27 ASP H H 27 8.550 8.768 -0.218 1
1 321 . 10 1 1 A 27 27 ASP HA H 27 4.401 4.352 0.049 1
1 324 . 10 1 1 A 27 27 ASP C C 27 175.993 176.321 -0.328 1
1 325 . 10 1 1 A 27 27 ASP CA C 27 55.105 56.682 -1.577 1
1 326 . 10 1 1 A 27 27 ASP CB C 27 41.688 40.938 0.750 1
1 327 . 10 1 1 A 27 27 ASP N N 27 121.391 126.636 -5.245 1
1 328 . 10 1 1 A 28 28 GLU H H 28 8.419 7.878 0.541 1
1 329 . 10 1 1 A 28 28 GLU HA H 28 4.063 4.853 -0.790 1
1 334 . 10 1 1 A 28 28 GLU C C 28 176.146 175.199 0.947 1
1 335 . 10 1 1 A 28 28 GLU CA C 28 57.076 54.781 2.295 1
1 336 . 10 1 1 A 28 28 GLU CB C 28 30.774 33.391 -2.617 1
1 338 . 10 1 1 A 28 28 GLU N N 28 120.203 113.925 6.278 1
1 339 . 10 1 1 A 29 29 GLY H H 29 8.364 8.498 -0.134 1
1 340 . 10 1 1 A 29 29 GLY HA2 H 29 4.758 4.221 0.537 1
1 341 . 10 1 1 A 29 29 GLY HA3 H 29 4.584 4.225 0.359 1
1 342 . 10 1 1 A 29 29 GLY C C 29 175.976 175.173 0.803 1
1 343 . 10 1 1 A 29 29 GLY CA C 29 44.686 45.715 -1.029 1
1 344 . 10 1 1 A 29 29 GLY N N 29 110.404 107.334 3.070 1
1 345 . 10 1 1 A 30 30 GLU H H 30 8.867 8.186 0.681 1
1 346 . 10 1 1 A 30 30 GLU HA H 30 3.749 3.920 -0.171 1
1 351 . 10 1 1 A 30 30 GLU C C 30 177.872 177.756 0.116 1
1 352 . 10 1 1 A 30 30 GLU CA C 30 59.045 59.476 -0.431 1
1 353 . 10 1 1 A 30 30 GLU CB C 30 29.030 29.443 -0.413 1
1 355 . 10 1 1 A 30 30 GLU N N 30 125.251 120.831 4.420 1
1 356 . 10 1 1 A 31 31 GLU H H 31 9.842 8.105 1.737 1
1 357 . 10 1 1 A 31 31 GLU HA H 31 4.312 4.472 -0.160 1
1 362 . 10 1 1 A 31 31 GLU C C 31 176.330 176.131 0.199 1
1 363 . 10 1 1 A 31 31 GLU CA C 31 57.437 55.565 1.872 1
1 364 . 10 1 1 A 31 31 GLU CB C 31 28.040 29.858 -1.818 1
1 366 . 10 1 1 A 31 31 GLU N N 31 118.421 115.438 2.983 1
1 367 . 10 1 1 A 32 32 ASN H H 32 7.731 7.745 -0.014 1
1 368 . 10 1 1 A 32 32 ASN HA H 32 5.127 5.188 -0.061 1
1 373 . 10 1 1 A 32 32 ASN C C 32 172.750 174.346 -1.596 1
1 374 . 10 1 1 A 32 32 ASN CA C 32 54.111 52.447 1.664 1
1 375 . 10 1 1 A 32 32 ASN CB C 32 40.161 39.925 0.236 1
1 376 . 10 1 1 A 32 32 ASN N N 32 116.937 119.135 -2.198 1
1 378 . 10 1 1 A 33 33 ILE H H 33 7.105 9.194 -2.089 1
1 379 . 10 1 1 A 33 33 ILE HA H 33 4.793 4.737 0.056 1
1 389 . 10 1 1 A 33 33 ILE CA C 33 57.895 57.632 0.263 1
1 390 . 10 1 1 A 33 33 ILE CB C 33 40.609 41.599 -0.990 1
1 394 . 10 1 1 A 33 33 ILE N N 33 121.985 125.737 -3.752 1
1 395 . 10 1 1 A 34 34 PRO HA H 34 4.065 5.028 -0.963 1
1 402 . 10 1 1 A 34 34 PRO C C 34 173.754 176.089 -2.335 1
1 403 . 10 1 1 A 34 34 PRO CA C 34 61.962 62.832 -0.870 1
1 404 . 10 1 1 A 34 34 PRO CB C 34 31.877 31.740 0.137 1
1 407 . 10 1 1 A 35 35 LYS H H 35 7.101 8.769 -1.668 1
1 408 . 10 1 1 A 35 35 LYS HA H 35 4.377 4.813 -0.436 1
1 417 . 10 1 1 A 35 35 LYS C C 35 175.712 175.716 -0.004 1
1 418 . 10 1 1 A 35 35 LYS CA C 35 53.404 54.670 -1.266 1
1 419 . 10 1 1 A 35 35 LYS CB C 35 35.229 36.496 -1.267 1
1 423 . 10 1 1 A 35 35 LYS N N 35 116.046 123.099 -7.053 1
1 424 . 10 1 1 A 36 36 LYS H H 36 8.144 8.509 -0.365 1
1 425 . 10 1 1 A 36 36 LYS HA H 36 3.515 3.958 -0.443 1
1 434 . 10 1 1 A 36 36 LYS C C 36 176.774 177.557 -0.783 1
1 435 . 10 1 1 A 36 36 LYS CA C 36 58.608 58.246 0.362 1
1 436 . 10 1 1 A 36 36 LYS CB C 36 32.089 32.125 -0.036 1
1 440 . 10 1 1 A 36 36 LYS N N 36 120.797 122.524 -1.727 1
1 441 . 10 1 1 A 37 37 GLY H H 37 9.113 8.719 0.394 1
1 442 . 10 1 1 A 37 37 GLY HA2 H 37 3.494 4.014 -0.520 1
1 443 . 10 1 1 A 37 37 GLY HA3 H 37 4.330 4.014 0.316 1
1 444 . 10 1 1 A 37 37 GLY C C 37 175.329 173.897 1.432 1
1 445 . 10 1 1 A 37 37 GLY CA C 37 44.853 44.990 -0.137 1
1 446 . 10 1 1 A 37 37 GLY N N 37 113.967 115.984 -2.017 1
1 447 . 10 1 1 A 38 38 ASN H H 38 8.447 7.872 0.575 1
1 448 . 10 1 1 A 38 38 ASN HA H 38 4.663 4.917 -0.254 1
1 453 . 10 1 1 A 38 38 ASN C C 38 174.878 174.699 0.179 1
1 454 . 10 1 1 A 38 38 ASN CA C 38 53.557 52.917 0.640 1
1 455 . 10 1 1 A 38 38 ASN CB C 38 39.155 39.835 -0.680 1
1 457 . 10 1 1 A 38 38 ASN N N 38 117.828 119.758 -1.930 1
1 459 . 10 1 1 A 39 39 GLU H H 39 8.331 8.698 -0.367 1
1 460 . 10 1 1 A 39 39 GLU HA H 39 4.254 4.736 -0.482 1
1 465 . 10 1 1 A 39 39 GLU C C 39 175.656 176.696 -1.040 1
1 466 . 10 1 1 A 39 39 GLU CA C 39 55.804 56.367 -0.563 1
1 467 . 10 1 1 A 39 39 GLU CB C 39 31.464 30.327 1.137 1
1 469 . 10 1 1 A 39 39 GLU N N 39 121.094 123.077 -1.983 1
1 470 . 10 1 1 A 40 40 VAL H H 40 9.138 9.037 0.101 1
1 471 . 10 1 1 A 40 40 VAL HA H 40 4.699 5.118 -0.419 1
1 479 . 10 1 1 A 40 40 VAL C C 40 173.240 174.480 -1.240 1
1 480 . 10 1 1 A 40 40 VAL CA C 40 59.559 60.239 -0.680 1
1 481 . 10 1 1 A 40 40 VAL CB C 40 32.896 34.839 -1.943 1
1 484 . 10 1 1 A 40 40 VAL N N 40 125.845 121.586 4.259 1
1 485 . 10 1 1 A 41 41 THR H H 41 8.328 8.965 -0.637 1
1 486 . 10 1 1 A 41 41 THR HA H 41 4.982 4.744 0.238 1
1 491 . 10 1 1 A 41 41 THR C C 41 174.455 173.513 0.942 1
1 492 . 10 1 1 A 41 41 THR CA C 41 61.964 61.562 0.402 1
1 493 . 10 1 1 A 41 41 THR CB C 41 69.623 70.196 -0.573 1
1 495 . 10 1 1 A 41 41 THR N N 41 117.531 117.217 0.314 1
1 496 . 10 1 1 A 42 42 VAL H H 42 9.581 8.538 1.043 1
1 497 . 10 1 1 A 42 42 VAL HA H 42 5.669 5.053 0.616 1
1 505 . 10 1 1 A 42 42 VAL C C 42 174.919 173.741 1.178 1
1 506 . 10 1 1 A 42 42 VAL CA C 42 57.930 58.861 -0.931 1
1 507 . 10 1 1 A 42 42 VAL CB C 42 35.321 34.861 0.460 1
1 510 . 10 1 1 A 42 42 VAL N N 42 117.828 119.623 -1.795 1
1 511 . 10 1 1 A 43 43 HIS H H 43 8.333 8.201 0.132 1
1 512 . 10 1 1 A 43 43 HIS HA H 43 5.407 5.521 -0.114 1
1 515 . 10 1 1 A 43 43 HIS C C 43 176.136 174.218 1.918 1
1 516 . 10 1 1 A 43 43 HIS CA C 43 54.147 54.746 -0.599 1
1 517 . 10 1 1 A 43 43 HIS CB C 43 35.339 32.444 2.895 1
1 518 . 10 1 1 A 43 43 HIS N N 43 119.906 122.259 -2.353 1
1 519 . 10 1 1 A 44 44 TYR H H 44 9.622 8.368 1.254 1
1 520 . 10 1 1 A 44 44 TYR HA H 44 6.247 6.211 0.036 1
1 527 . 10 1 1 A 44 44 TYR C C 44 172.857 173.838 -0.981 1
1 528 . 10 1 1 A 44 44 TYR CA C 44 56.304 55.699 0.605 1
1 529 . 10 1 1 A 44 44 TYR CB C 44 43.537 41.952 1.585 1
1 530 . 10 1 1 A 44 44 TYR N N 44 117.234 118.945 -1.711 1
1 531 . 10 1 1 A 45 45 VAL H H 45 8.735 8.911 -0.176 1
1 532 . 10 1 1 A 45 45 VAL HA H 45 4.520 4.867 -0.347 1
1 540 . 10 1 1 A 45 45 VAL C C 45 175.200 174.742 0.458 1
1 541 . 10 1 1 A 45 45 VAL CA C 45 62.212 60.052 2.160 1
1 542 . 10 1 1 A 45 45 VAL CB C 45 35.550 35.465 0.085 1
1 545 . 10 1 1 A 45 45 VAL N N 45 118.125 120.651 -2.526 1
1 546 . 10 1 1 A 46 46 GLY H H 46 9.126 8.189 0.937 1
1 547 . 10 1 1 A 46 46 GLY HA2 H 46 4.539 4.096 0.443 1
1 548 . 10 1 1 A 46 46 GLY HA3 H 46 4.506 4.170 0.336 1
1 549 . 10 1 1 A 46 46 GLY C C 46 170.771 171.668 -0.897 1
1 550 . 10 1 1 A 46 46 GLY CA C 46 45.601 45.872 -0.271 1
1 551 . 10 1 1 A 46 46 GLY N N 46 114.858 111.381 3.477 1
1 552 . 10 1 1 A 47 47 LYS H H 47 9.121 8.092 1.029 1
1 553 . 10 1 1 A 47 47 LYS HA H 47 5.176 5.001 0.175 1
1 562 . 10 1 1 A 47 47 LYS C C 47 175.830 173.824 2.006 1
1 563 . 10 1 1 A 47 47 LYS CA C 47 53.937 54.519 -0.582 1
1 564 . 10 1 1 A 47 47 LYS CB C 47 37.021 35.782 1.239 1
1 568 . 10 1 1 A 47 47 LYS N N 47 123.469 118.934 4.535 1
1 569 . 10 1 1 A 48 48 LEU H H 48 8.016 9.395 -1.379 1
1 570 . 10 1 1 A 48 48 LEU HA H 48 4.692 4.557 0.135 1
1 580 . 10 1 1 A 48 48 LEU C C 48 178.031 176.586 1.445 1
1 581 . 10 1 1 A 48 48 LEU CA C 48 54.231 54.276 -0.045 1
1 582 . 10 1 1 A 48 48 LEU CB C 48 41.678 41.930 -0.252 1
1 586 . 10 1 1 A 48 48 LEU N N 48 121.391 122.903 -1.512 1
1 587 . 10 1 1 A 49 49 GLU H H 49 8.085 8.596 -0.511 1
1 588 . 10 1 1 A 49 49 GLU HA H 49 3.835 3.855 -0.020 1
1 593 . 10 1 1 A 49 49 GLU C C 49 178.118 178.121 -0.003 1
1 594 . 10 1 1 A 49 49 GLU CA C 49 59.974 59.543 0.431 1
1 595 . 10 1 1 A 49 49 GLU CB C 49 30.322 29.163 1.159 1
1 597 . 10 1 1 A 49 49 GLU N N 49 124.954 127.163 -2.209 1
1 598 . 10 1 1 A 50 50 SER H H 50 9.220 8.117 1.103 1
1 599 . 10 1 1 A 50 50 SER HA H 50 4.154 4.239 -0.085 1
1 602 . 10 1 1 A 50 50 SER C C 50 176.751 175.771 0.980 1
1 603 . 10 1 1 A 50 50 SER CA C 50 60.230 61.005 -0.775 1
1 604 . 10 1 1 A 50 50 SER CB C 50 62.229 63.274 -1.045 1
1 605 . 10 1 1 A 50 50 SER N N 50 112.186 115.132 -2.946 1
1 606 . 10 1 1 A 51 51 THR H H 51 6.784 7.652 -0.868 1
1 607 . 10 1 1 A 51 51 THR HA H 51 4.520 4.565 -0.045 1
1 612 . 10 1 1 A 51 51 THR C C 51 176.342 174.980 1.362 1
1 613 . 10 1 1 A 51 51 THR CA C 51 60.760 62.026 -1.266 1
1 614 . 10 1 1 A 51 51 THR CB C 51 71.046 70.279 0.767 1
1 616 . 10 1 1 A 51 51 THR N N 51 105.653 112.867 -7.214 1
1 617 . 10 1 1 A 52 52 GLY H H 52 8.296 7.964 0.332 1
1 618 . 10 1 1 A 52 52 GLY HA2 H 52 3.680 3.957 -0.277 1
1 619 . 10 1 1 A 52 52 GLY HA3 H 52 4.096 3.958 0.138 1
1 620 . 10 1 1 A 52 52 GLY C C 52 173.336 174.504 -1.168 1
1 621 . 10 1 1 A 52 52 GLY CA C 52 45.711 46.655 -0.944 1
1 622 . 10 1 1 A 52 52 GLY N N 52 112.483 110.927 1.556 1
1 623 . 10 1 1 A 53 53 LYS H H 53 7.479 7.826 -0.347 1
1 624 . 10 1 1 A 53 53 LYS HA H 53 4.218 4.657 -0.439 1
1 633 . 10 1 1 A 53 53 LYS C C 53 176.513 175.349 1.164 1
1 634 . 10 1 1 A 53 53 LYS CA C 53 56.217 54.629 1.588 1
1 635 . 10 1 1 A 53 53 LYS CB C 53 33.430 34.913 -1.483 1
1 639 . 10 1 1 A 53 53 LYS N N 53 119.609 119.039 0.570 1
1 640 . 10 1 1 A 54 54 VAL H H 54 8.511 8.670 -0.159 1
1 641 . 10 1 1 A 54 54 VAL HA H 54 4.244 4.248 -0.004 1
1 649 . 10 1 1 A 54 54 VAL C C 54 176.879 176.453 0.426 1
1 650 . 10 1 1 A 54 54 VAL CA C 54 62.409 62.651 -0.242 1
1 651 . 10 1 1 A 54 54 VAL CB C 54 32.697 33.037 -0.340 1
1 654 . 10 1 1 A 54 54 VAL N N 54 126.109 126.500 -0.391 1
1 655 . 10 1 1 A 55 55 PHE H H 55 8.325 8.693 -0.368 1
1 656 . 10 1 1 A 55 55 PHE HA H 55 5.036 4.823 0.213 1
1 664 . 10 1 1 A 55 55 PHE C C 55 174.856 174.566 0.290 1
1 665 . 10 1 1 A 55 55 PHE CA C 55 55.758 58.580 -2.822 1
1 666 . 10 1 1 A 55 55 PHE CB C 55 40.399 39.389 1.010 1
1 667 . 10 1 1 A 55 55 PHE N N 55 124.063 127.100 -3.037 1
1 668 . 10 1 1 A 56 56 ASP H H 56 6.884 8.853 -1.969 1
1 669 . 10 1 1 A 56 56 ASP HA H 56 4.801 5.039 -0.238 1
1 672 . 10 1 1 A 56 56 ASP C C 56 173.688 174.569 -0.881 1
1 673 . 10 1 1 A 56 56 ASP CA C 56 54.956 53.521 1.435 1
1 674 . 10 1 1 A 56 56 ASP CB C 56 43.616 41.263 2.353 1
1 675 . 10 1 1 A 56 56 ASP N N 56 120.500 124.689 -4.189 1
1 676 . 10 1 1 A 57 57 SER H H 57 8.038 8.991 -0.953 1
1 677 . 10 1 1 A 57 57 SER HA H 57 4.796 4.653 0.143 1
1 680 . 10 1 1 A 57 57 SER C C 57 174.997 174.561 0.436 1
1 681 . 10 1 1 A 57 57 SER CA C 57 55.792 57.070 -1.278 1
1 682 . 10 1 1 A 57 57 SER CB C 57 64.961 65.914 -0.953 1
1 683 . 10 1 1 A 57 57 SER N N 57 118.421 121.583 -3.162 1
1 684 . 10 1 1 A 58 58 SER H H 58 8.429 8.630 -0.201 1
1 685 . 10 1 1 A 58 58 SER HA H 58 4.080 3.918 0.162 1
1 688 . 10 1 1 A 58 58 SER C C 58 177.399 175.308 2.091 1
1 689 . 10 1 1 A 58 58 SER CA C 58 61.499 61.920 -0.421 1
1 690 . 10 1 1 A 58 58 SER CB C 58 65.069 62.671 2.398 1
1 691 . 10 1 1 A 58 58 SER N N 58 123.766 116.960 6.806 1
1 692 . 10 1 1 A 59 59 PHE H H 59 7.276 7.184 0.092 1
1 693 . 10 1 1 A 59 59 PHE HA H 59 3.851 4.446 -0.595 1
1 701 . 10 1 1 A 59 59 PHE C C 59 178.929 178.293 0.636 1
1 702 . 10 1 1 A 59 59 PHE CA C 59 61.010 59.849 1.161 1
1 703 . 10 1 1 A 59 59 PHE CB C 59 38.129 39.877 -1.748 1
1 704 . 10 1 1 A 59 59 PHE N N 59 121.845 118.925 2.920 1
1 705 . 10 1 1 A 60 60 ASP H H 60 7.534 8.800 -1.266 1
1 706 . 10 1 1 A 60 60 ASP HA H 60 4.343 4.369 -0.026 1
1 709 . 10 1 1 A 60 60 ASP C C 60 177.295 178.482 -1.187 1
1 710 . 10 1 1 A 60 60 ASP CA C 60 56.921 57.045 -0.124 1
1 711 . 10 1 1 A 60 60 ASP CB C 60 40.298 40.259 0.039 1
1 712 . 10 1 1 A 60 60 ASP N N 60 119.015 119.883 -0.868 1
1 713 . 10 1 1 A 61 61 ARG H H 61 7.224 8.283 -1.059 1
1 714 . 10 1 1 A 61 61 ARG HA H 61 4.378 4.112 0.266 1
1 721 . 10 1 1 A 61 61 ARG C C 61 175.798 178.212 -2.414 1
1 722 . 10 1 1 A 61 61 ARG CA C 61 55.209 58.344 -3.135 1
1 723 . 10 1 1 A 61 61 ARG CB C 61 32.610 29.296 3.314 1
1 726 . 10 1 1 A 61 61 ARG N N 61 115.452 118.923 -3.471 1
1 727 . 10 1 1 A 62 62 ASN H H 62 7.946 7.674 0.272 1
1 728 . 10 1 1 A 62 62 ASN HA H 62 4.392 4.683 -0.291 1
1 733 . 10 1 1 A 62 62 ASN C C 62 173.776 174.941 -1.165 1
1 734 . 10 1 1 A 62 62 ASN CA C 62 54.269 55.212 -0.943 1
1 735 . 10 1 1 A 62 62 ASN CB C 62 38.597 39.249 -0.652 1
1 737 . 10 1 1 A 62 62 ASN N N 62 115.196 118.788 -3.592 1
1 739 . 10 1 1 A 63 63 VAL H H 63 7.278 8.119 -0.841 1
1 740 . 10 1 1 A 63 63 VAL HA H 63 4.628 4.469 0.159 1
1 748 . 10 1 1 A 63 63 VAL CA C 63 62.601 58.585 4.016 1
1 749 . 10 1 1 A 63 63 VAL CB C 63 35.186 33.612 1.574 1
1 752 . 10 1 1 A 63 63 VAL N N 63 115.155 117.608 -2.453 1
1 753 . 10 1 1 A 64 64 PRO HA H 64 4.516 4.555 -0.039 1
1 760 . 10 1 1 A 64 64 PRO C C 64 174.254 176.117 -1.863 1
1 761 . 10 1 1 A 64 64 PRO CA C 64 62.601 62.456 0.145 1
1 762 . 10 1 1 A 64 64 PRO CB C 64 31.977 32.614 -0.637 1
1 765 . 10 1 1 A 65 65 PHE H H 65 9.109 8.432 0.677 1
1 766 . 10 1 1 A 65 65 PHE HA H 65 4.821 4.948 -0.127 1
1 774 . 10 1 1 A 65 65 PHE C C 65 173.320 174.733 -1.413 1
1 775 . 10 1 1 A 65 65 PHE CA C 65 57.292 58.003 -0.711 1
1 776 . 10 1 1 A 65 65 PHE CB C 65 42.894 41.133 1.761 1
1 777 . 10 1 1 A 65 65 PHE N N 65 123.469 123.238 0.231 1
1 778 . 10 1 1 A 66 66 LYS H H 66 7.474 8.195 -0.721 1
1 779 . 10 1 1 A 66 66 LYS HA H 66 5.378 5.499 -0.121 1
1 788 . 10 1 1 A 66 66 LYS C C 66 175.026 174.653 0.373 1
1 789 . 10 1 1 A 66 66 LYS CA C 66 53.876 54.134 -0.258 1
1 790 . 10 1 1 A 66 66 LYS CB C 66 35.471 36.108 -0.637 1
1 794 . 10 1 1 A 66 66 LYS N N 66 125.548 121.948 3.600 1
1 795 . 10 1 1 A 67 67 PHE H H 67 8.114 7.842 0.272 1
1 796 . 10 1 1 A 67 67 PHE HA H 67 4.469 5.190 -0.721 1
1 804 . 10 1 1 A 67 67 PHE C C 67 172.049 172.631 -0.582 1
1 805 . 10 1 1 A 67 67 PHE CA C 67 55.662 55.056 0.606 1
1 806 . 10 1 1 A 67 67 PHE CB C 67 40.087 41.619 -1.532 1
1 807 . 10 1 1 A 67 67 PHE N N 67 115.419 116.843 -1.424 1
1 808 . 10 1 1 A 68 68 HIS H H 68 8.983 8.769 0.214 1
1 809 . 10 1 1 A 68 68 HIS HA H 68 5.482 5.154 0.328 1
1 812 . 10 1 1 A 68 68 HIS C C 68 174.742 174.881 -0.139 1
1 813 . 10 1 1 A 68 68 HIS CA C 68 55.348 54.356 0.992 1
1 814 . 10 1 1 A 68 68 HIS CB C 68 28.470 32.551 -4.081 1
1 815 . 10 1 1 A 68 68 HIS N N 68 118.421 116.603 1.818 1
1 816 . 10 1 1 A 69 69 LEU H H 69 8.317 8.854 -0.537 1
1 817 . 10 1 1 A 69 69 LEU HA H 69 4.016 4.320 -0.304 1
1 827 . 10 1 1 A 69 69 LEU CA C 69 56.060 56.009 0.051 1
1 828 . 10 1 1 A 69 69 LEU CB C 69 42.903 41.972 0.931 1
1 832 . 10 1 1 A 69 69 LEU N N 69 126.736 124.835 1.901 1
1 833 . 10 1 1 A 70 70 GLU H H 70 9.618 9.168 0.450 1
1 834 . 10 1 1 A 70 70 GLU HA H 70 3.847 4.044 -0.197 1
1 839 . 10 1 1 A 70 70 GLU C C 70 174.818 176.494 -1.676 1
1 840 . 10 1 1 A 70 70 GLU CA C 70 58.625 57.346 1.279 1
1 841 . 10 1 1 A 70 70 GLU CB C 70 27.456 28.247 -0.791 1
1 843 . 10 1 1 A 70 70 GLU N N 70 124.954 125.950 -0.996 1
1 844 . 10 1 1 A 71 71 GLN H H 71 8.248 8.291 -0.043 1
1 845 . 10 1 1 A 71 71 GLN HA H 71 4.678 4.656 0.022 1
1 852 . 10 1 1 A 71 71 GLN CA C 71 54.218 55.140 -0.922 1
1 853 . 10 1 1 A 71 71 GLN CB C 71 30.422 29.545 0.877 1
1 856 . 10 1 1 A 71 71 GLN N N 71 114.858 126.226 -11.368 1
1 858 . 10 1 1 A 72 72 GLY H H 72 8.362 8.034 0.328 1
1 859 . 10 1 1 A 72 72 GLY HA2 H 72 4.145 4.014 0.131 1
1 860 . 10 1 1 A 72 72 GLY HA3 H 72 4.059 4.044 0.015 1
1 861 . 10 1 1 A 72 72 GLY C C 72 175.783 175.579 0.204 1
1 862 . 10 1 1 A 72 72 GLY CA C 72 46.838 45.668 1.170 1
1 863 . 10 1 1 A 72 72 GLY N N 72 110.404 108.492 1.912 1
1 864 . 10 1 1 A 73 73 GLU H H 73 9.085 8.244 0.841 1
1 865 . 10 1 1 A 73 73 GLU HA H 73 4.187 4.370 -0.183 1
1 870 . 10 1 1 A 73 73 GLU C C 73 175.522 176.151 -0.629 1
1 871 . 10 1 1 A 73 73 GLU CA C 73 57.443 56.834 0.609 1
1 872 . 10 1 1 A 73 73 GLU CB C 73 31.378 30.187 1.191 1
1 874 . 10 1 1 A 73 73 GLU N N 73 118.421 117.966 0.455 1
1 875 . 10 1 1 A 74 74 VAL H H 74 6.862 7.451 -0.589 1
1 876 . 10 1 1 A 74 74 VAL HA H 74 4.281 4.436 -0.155 1
1 884 . 10 1 1 A 74 74 VAL C C 74 175.773 175.323 0.450 1
1 885 . 10 1 1 A 74 74 VAL CA C 74 57.468 60.312 -2.844 1
1 886 . 10 1 1 A 74 74 VAL CB C 74 36.344 34.329 2.015 1
1 889 . 10 1 1 A 74 74 VAL N N 74 108.919 114.091 -5.172 1
1 890 . 10 1 1 A 75 75 ILE H H 75 7.462 9.090 -1.628 1
1 891 . 10 1 1 A 75 75 ILE HA H 75 3.844 4.267 -0.423 1
1 901 . 10 1 1 A 75 75 ILE C C 75 177.618 177.203 0.415 1
1 902 . 10 1 1 A 75 75 ILE CA C 75 62.213 62.253 -0.040 1
1 903 . 10 1 1 A 75 75 ILE CB C 75 37.337 38.418 -1.081 1
1 907 . 10 1 1 A 75 75 ILE N N 75 113.373 123.126 -9.753 1
1 908 . 10 1 1 A 76 76 LYS H H 76 9.047 8.199 0.848 1
1 909 . 10 1 1 A 76 76 LYS HA H 76 4.282 4.431 -0.149 1
1 918 . 10 1 1 A 76 76 LYS C C 76 180.009 178.198 1.811 1
1 919 . 10 1 1 A 76 76 LYS CA C 76 59.482 57.265 2.217 1
1 920 . 10 1 1 A 76 76 LYS CB C 76 32.740 34.822 -2.082 1
1 924 . 10 1 1 A 76 76 LYS N N 76 124.954 121.024 3.930 1
1 925 . 10 1 1 A 77 77 GLY H H 77 9.775 8.613 1.162 1
1 926 . 10 1 1 A 77 77 GLY HA2 H 77 3.786 3.330 0.456 1
1 927 . 10 1 1 A 77 77 GLY HA3 H 77 3.618 3.415 0.203 1
1 928 . 10 1 1 A 77 77 GLY C C 77 175.261 176.434 -1.173 1
1 929 . 10 1 1 A 77 77 GLY CA C 77 47.402 47.166 0.236 1
1 930 . 10 1 1 A 77 77 GLY N N 77 101.199 106.701 -5.502 1
1 931 . 10 1 1 A 78 78 TRP H H 78 7.817 7.778 0.039 1
1 932 . 10 1 1 A 78 78 TRP HA H 78 4.017 4.801 -0.784 1
1 940 . 10 1 1 A 78 78 TRP C C 78 177.610 178.043 -0.433 1
1 941 . 10 1 1 A 78 78 TRP CA C 78 61.524 60.049 1.475 1
1 942 . 10 1 1 A 78 78 TRP CB C 78 28.655 28.451 0.204 1
1 943 . 10 1 1 A 78 78 TRP N N 78 120.203 122.307 -2.104 1
1 944 . 10 1 1 A 79 79 ASP H H 79 6.967 8.364 -1.397 1
1 945 . 10 1 1 A 79 79 ASP HA H 79 4.738 4.439 0.299 1
1 948 . 10 1 1 A 79 79 ASP C C 79 179.125 179.104 0.021 1
1 949 . 10 1 1 A 79 79 ASP CA C 79 58.492 57.674 0.818 1
1 950 . 10 1 1 A 79 79 ASP CB C 79 41.181 41.720 -0.539 1
1 951 . 10 1 1 A 79 79 ASP N N 79 121.688 119.344 2.344 1
1 952 . 10 1 1 A 80 80 ILE H H 80 8.173 8.064 0.109 1
1 953 . 10 1 1 A 80 80 ILE HA H 80 3.617 3.725 -0.108 1
1 963 . 10 1 1 A 80 80 ILE C C 80 177.849 177.804 0.045 1
1 964 . 10 1 1 A 80 80 ILE CA C 80 64.758 64.834 -0.076 1
1 965 . 10 1 1 A 80 80 ILE CB C 80 39.198 37.517 1.681 1
1 969 . 10 1 1 A 80 80 ILE N N 80 118.125 118.842 -0.717 1
1 970 . 10 1 1 A 81 81 CYS H H 81 7.961 8.294 -0.333 1
1 971 . 10 1 1 A 81 81 CYS HA H 81 4.456 4.119 0.337 1
1 974 . 10 1 1 A 81 81 CYS C C 81 178.812 176.838 1.974 1
1 975 . 10 1 1 A 81 81 CYS CA C 81 63.059 62.585 0.474 1
1 976 . 10 1 1 A 81 81 CYS CB C 81 27.732 26.932 0.800 1
1 977 . 10 1 1 A 81 81 CYS N N 81 116.937 121.123 -4.186 1
1 978 . 10 1 1 A 82 82 VAL H H 82 9.434 8.807 0.627 1
1 979 . 10 1 1 A 82 82 VAL HA H 82 3.476 3.849 -0.373 1
1 987 . 10 1 1 A 82 82 VAL C C 82 176.456 178.073 -1.617 1
1 988 . 10 1 1 A 82 82 VAL CA C 82 66.977 65.070 1.907 1
1 989 . 10 1 1 A 82 82 VAL CB C 82 30.171 31.778 -1.607 1
1 992 . 10 1 1 A 82 82 VAL N N 82 121.688 119.122 2.566 1
1 993 . 10 1 1 A 83 83 SER H H 83 7.541 8.412 -0.871 1
1 994 . 10 1 1 A 83 83 SER HA H 83 3.964 4.254 -0.290 1
1 997 . 10 1 1 A 83 83 SER C C 83 173.661 176.099 -2.438 1
1 998 . 10 1 1 A 83 83 SER CA C 83 61.551 61.590 -0.039 1
1 999 . 10 1 1 A 83 83 SER CB C 83 63.239 63.046 0.193 1
1 1000 . 10 1 1 A 83 83 SER N N 83 111.889 117.464 -5.575 1
1 1001 . 10 1 1 A 84 84 SER H H 84 7.471 7.622 -0.151 1
1 1002 . 10 1 1 A 84 84 SER HA H 84 4.530 4.788 -0.258 1
1 1005 . 10 1 1 A 84 84 SER C C 84 174.314 173.617 0.697 1
1 1006 . 10 1 1 A 84 84 SER CA C 84 58.440 57.997 0.443 1
1 1007 . 10 1 1 A 84 84 SER CB C 84 65.929 63.013 2.916 1
1 1008 . 10 1 1 A 84 84 SER N N 84 114.264 113.724 0.540 1
1 1009 . 10 1 1 A 85 85 MET H H 85 7.441 7.209 0.232 1
1 1010 . 10 1 1 A 85 85 MET HA H 85 4.262 4.947 -0.685 1
1 1015 . 10 1 1 A 85 85 MET C C 85 172.768 174.500 -1.732 1
1 1016 . 10 1 1 A 85 85 MET CA C 85 56.502 54.098 2.404 1
1 1017 . 10 1 1 A 85 85 MET CB C 85 36.378 35.574 0.804 1
1 1019 . 10 1 1 A 85 85 MET N N 85 124.657 120.957 3.700 1
1 1020 . 10 1 1 A 86 86 ARG H H 86 7.045 8.404 -1.359 1
1 1021 . 10 1 1 A 86 86 ARG HA H 86 4.879 4.738 0.141 1
1 1028 . 10 1 1 A 86 86 ARG C C 86 177.468 176.231 1.237 1
1 1029 . 10 1 1 A 86 86 ARG CA C 86 53.395 53.786 -0.391 1
1 1030 . 10 1 1 A 86 86 ARG CB C 86 33.244 34.211 -0.967 1
1 1033 . 10 1 1 A 86 86 ARG N N 86 114.264 118.728 -4.464 1
1 1034 . 10 1 1 A 87 87 LYS H H 87 8.818 8.852 -0.034 1
1 1035 . 10 1 1 A 87 87 LYS HA H 87 3.554 3.611 -0.057 1
1 1044 . 10 1 1 A 87 87 LYS C C 87 175.382 176.763 -1.381 1
1 1045 . 10 1 1 A 87 87 LYS CA C 87 60.175 58.639 1.536 1
1 1046 . 10 1 1 A 87 87 LYS CB C 87 33.195 32.368 0.827 1
1 1050 . 10 1 1 A 87 87 LYS N N 87 121.391 122.956 -1.565 1
1 1051 . 10 1 1 A 88 88 ASN H H 88 8.943 7.909 1.034 1
1 1052 . 10 1 1 A 88 88 ASN HA H 88 4.291 4.804 -0.513 1
1 1057 . 10 1 1 A 88 88 ASN C C 88 174.124 173.728 0.396 1
1 1058 . 10 1 1 A 88 88 ASN CA C 88 56.703 52.741 3.962 1
1 1059 . 10 1 1 A 88 88 ASN CB C 88 36.677 38.867 -2.190 1
1 1060 . 10 1 1 A 88 88 ASN N N 88 116.640 114.719 1.921 1
1 1062 . 10 1 1 A 89 89 GLU H H 89 8.677 7.529 1.148 1
1 1063 . 10 1 1 A 89 89 GLU HA H 89 4.358 5.188 -0.830 1
1 1068 . 10 1 1 A 89 89 GLU C C 89 174.903 174.309 0.594 1
1 1069 . 10 1 1 A 89 89 GLU CA C 89 56.190 54.764 1.426 1
1 1070 . 10 1 1 A 89 89 GLU CB C 89 33.096 33.310 -0.214 1
1 1072 . 10 1 1 A 89 89 GLU N N 89 122.876 121.007 1.869 1
1 1073 . 10 1 1 A 90 90 LYS H H 90 8.580 8.944 -0.364 1
1 1074 . 10 1 1 A 90 90 LYS HA H 90 5.542 4.943 0.599 1
1 1083 . 10 1 1 A 90 90 LYS C C 90 175.593 174.784 0.809 1
1 1084 . 10 1 1 A 90 90 LYS CA C 90 54.210 55.529 -1.319 1
1 1085 . 10 1 1 A 90 90 LYS CB C 90 36.189 35.776 0.413 1
1 1089 . 10 1 1 A 90 90 LYS N N 90 123.469 124.514 -1.045 1
1 1090 . 10 1 1 A 91 91 CYS H H 91 9.673 8.466 1.207 1
1 1091 . 10 1 1 A 91 91 CYS HA H 91 5.524 5.261 0.263 1
1 1094 . 10 1 1 A 91 91 CYS C C 91 170.527 173.099 -2.572 1
1 1095 . 10 1 1 A 91 91 CYS CA C 91 54.690 57.419 -2.729 1
1 1096 . 10 1 1 A 91 91 CYS CB C 91 32.542 32.239 0.303 1
1 1097 . 10 1 1 A 91 91 CYS N N 91 122.579 124.548 -1.969 1
1 1098 . 10 1 1 A 92 92 LEU H H 92 8.984 8.820 0.164 1
1 1099 . 10 1 1 A 92 92 LEU HA H 92 5.458 5.197 0.261 1
1 1109 . 10 1 1 A 92 92 LEU C C 92 175.596 175.125 0.471 1
1 1110 . 10 1 1 A 92 92 LEU CA C 92 53.413 53.792 -0.379 1
1 1111 . 10 1 1 A 92 92 LEU CB C 92 44.972 43.321 1.651 1
1 1115 . 10 1 1 A 92 92 LEU N N 92 122.282 122.898 -0.616 1
1 1116 . 10 1 1 A 93 93 VAL H H 93 10.107 9.036 1.071 1
1 1117 . 10 1 1 A 93 93 VAL HA H 93 5.506 4.855 0.651 1
1 1125 . 10 1 1 A 93 93 VAL C C 93 171.051 173.713 -2.662 1
1 1126 . 10 1 1 A 93 93 VAL CA C 93 58.200 59.843 -1.643 1
1 1127 . 10 1 1 A 93 93 VAL CB C 93 35.276 34.163 1.113 1
1 1130 . 10 1 1 A 93 93 VAL N N 93 126.224 125.786 0.438 1
1 1131 . 10 1 1 A 94 94 ARG H H 94 8.949 8.721 0.228 1
1 1132 . 10 1 1 A 94 94 ARG HA H 94 5.133 4.822 0.311 1
1 1139 . 10 1 1 A 94 94 ARG C C 94 175.823 175.088 0.735 1
1 1140 . 10 1 1 A 94 94 ARG CA C 94 56.219 55.012 1.207 1
1 1141 . 10 1 1 A 94 94 ARG CB C 94 32.039 31.084 0.955 1
1 1144 . 10 1 1 A 94 94 ARG N N 94 130.596 127.195 3.401 1
1 1145 . 10 1 1 A 95 95 ILE H H 95 9.655 9.280 0.375 1
1 1146 . 10 1 1 A 95 95 ILE HA H 95 4.899 4.567 0.332 1
1 1156 . 10 1 1 A 95 95 ILE C C 95 175.215 175.063 0.152 1
1 1157 . 10 1 1 A 95 95 ILE CA C 95 60.582 60.429 0.153 1
1 1158 . 10 1 1 A 95 95 ILE CB C 95 37.359 37.832 -0.473 1
1 1162 . 10 1 1 A 95 95 ILE N N 95 129.905 126.263 3.642 1
1 1163 . 10 1 1 A 96 96 GLU H H 96 9.213 8.665 0.548 1
1 1164 . 10 1 1 A 96 96 GLU HA H 96 4.320 4.496 -0.176 1
1 1169 . 10 1 1 A 96 96 GLU C C 96 177.897 177.186 0.711 1
1 1170 . 10 1 1 A 96 96 GLU CA C 96 57.568 55.090 2.478 1
1 1171 . 10 1 1 A 96 96 GLU CB C 96 29.676 31.389 -1.713 1
1 1173 . 10 1 1 A 96 96 GLU N N 96 126.439 128.942 -2.503 1
1 1174 . 10 1 1 A 97 97 SER H H 97 8.693 8.760 -0.067 1
1 1175 . 10 1 1 A 97 97 SER HA H 97 4.370 4.086 0.284 1
1 1178 . 10 1 1 A 97 97 SER C C 97 178.668 175.926 2.742 1
1 1179 . 10 1 1 A 97 97 SER CA C 97 62.800 61.827 0.973 1
1 1180 . 10 1 1 A 97 97 SER CB C 97 64.591 62.877 1.714 1
1 1181 . 10 1 1 A 97 97 SER N N 97 115.749 119.353 -3.604 1
1 1182 . 10 1 1 A 98 98 MET H H 98 8.937 8.321 0.616 1
1 1183 . 10 1 1 A 98 98 MET HA H 98 4.170 4.242 -0.072 1
1 1188 . 10 1 1 A 98 98 MET C C 98 179.250 176.280 2.970 1
1 1189 . 10 1 1 A 98 98 MET CA C 98 58.702 56.964 1.738 1
1 1190 . 10 1 1 A 98 98 MET CB C 98 31.047 32.022 -0.975 1
1 1192 . 10 1 1 A 98 98 MET N N 98 121.985 119.507 2.478 1
1 1193 . 10 1 1 A 99 99 TYR H H 99 7.927 7.822 0.105 1
1 1194 . 10 1 1 A 99 99 TYR HA H 99 4.435 4.506 -0.071 1
1 1201 . 10 1 1 A 99 99 TYR C C 99 173.125 175.766 -2.641 1
1 1202 . 10 1 1 A 99 99 TYR CA C 99 58.064 58.642 -0.578 1
1 1203 . 10 1 1 A 99 99 TYR CB C 99 39.570 39.217 0.353 1
1 1204 . 10 1 1 A 99 99 TYR N N 99 116.640 117.795 -1.155 1
1 1205 . 10 1 1 A 100 100 GLY H H 100 7.802 7.701 0.101 1
1 1206 . 10 1 1 A 100 100 GLY HA2 H 100 3.223 4.142 -0.919 1
1 1207 . 10 1 1 A 100 100 GLY HA3 H 100 4.309 4.169 0.140 1
1 1208 . 10 1 1 A 100 100 GLY C C 100 173.213 173.231 -0.018 1
1 1209 . 10 1 1 A 100 100 GLY CA C 100 45.062 43.918 1.144 1
1 1210 . 10 1 1 A 100 100 GLY N N 100 110.998 107.482 3.516 1
1 1211 . 10 1 1 A 101 101 TYR H H 101 9.407 8.708 0.699 1
1 1212 . 10 1 1 A 101 101 TYR HA H 101 4.443 4.723 -0.280 1
1 1219 . 10 1 1 A 101 101 TYR C C 101 176.014 176.579 -0.565 1
1 1220 . 10 1 1 A 101 101 TYR CA C 101 58.944 56.575 2.369 1
1 1221 . 10 1 1 A 101 101 TYR CB C 101 37.732 36.013 1.719 1
1 1222 . 10 1 1 A 101 101 TYR N N 101 126.439 118.831 7.608 1
1 1223 . 10 1 1 A 102 102 GLY H H 102 8.231 8.627 -0.396 1
1 1224 . 10 1 1 A 102 102 GLY HA2 H 102 4.001 4.011 -0.010 1
1 1225 . 10 1 1 A 102 102 GLY HA3 H 102 3.715 4.048 -0.333 1
1 1226 . 10 1 1 A 102 102 GLY C C 102 175.685 174.625 1.060 1
1 1227 . 10 1 1 A 102 102 GLY CA C 102 46.447 45.645 0.802 1
1 1228 . 10 1 1 A 102 102 GLY N N 102 107.138 109.529 -2.391 1
1 1229 . 10 1 1 A 103 103 ASP H H 103 8.983 7.805 1.178 1
1 1230 . 10 1 1 A 103 103 ASP HA H 103 4.277 4.465 -0.188 1
1 1233 . 10 1 1 A 103 103 ASP C C 103 176.677 178.592 -1.915 1
1 1234 . 10 1 1 A 103 103 ASP CA C 103 56.352 56.826 -0.474 1
1 1235 . 10 1 1 A 103 103 ASP CB C 103 40.640 41.490 -0.850 1
1 1236 . 10 1 1 A 103 103 ASP N N 103 124.954 120.651 4.303 1
1 1237 . 10 1 1 A 104 104 GLU H H 104 8.552 8.153 0.399 1
1 1238 . 10 1 1 A 104 104 GLU HA H 104 4.139 4.228 -0.089 1
1 1243 . 10 1 1 A 104 104 GLU C C 104 179.142 176.624 2.518 1
1 1244 . 10 1 1 A 104 104 GLU CA C 104 58.100 58.208 -0.108 1
1 1245 . 10 1 1 A 104 104 GLU CB C 104 30.076 30.856 -0.780 1
1 1247 . 10 1 1 A 104 104 GLU N N 104 117.531 117.603 -0.072 1
1 1248 . 10 1 1 A 105 105 GLY H H 105 7.188 7.597 -0.409 1
1 1249 . 10 1 1 A 105 105 GLY HA2 H 105 3.137 4.068 -0.931 1
1 1250 . 10 1 1 A 105 105 GLY HA3 H 105 4.012 4.099 -0.087 1
1 1251 . 10 1 1 A 105 105 GLY C C 105 171.730 173.934 -2.204 1
1 1252 . 10 1 1 A 105 105 GLY CA C 105 44.214 45.861 -1.647 1
1 1253 . 10 1 1 A 105 105 GLY N N 105 104.168 106.784 -2.616 1
1 1254 . 10 1 1 A 106 106 CYS H H 106 9.026 8.025 1.001 1
1 1255 . 10 1 1 A 106 106 CYS HA H 106 4.253 5.201 -0.948 1
1 1258 . 10 1 1 A 106 106 CYS C C 106 173.438 173.506 -0.068 1
1 1259 . 10 1 1 A 106 106 CYS CA C 106 57.814 57.576 0.238 1
1 1260 . 10 1 1 A 106 106 CYS CB C 106 26.162 30.709 -4.547 1
1 1261 . 10 1 1 A 106 106 CYS N N 106 121.949 119.763 2.186 1
1 1262 . 10 1 1 A 107 107 GLY H H 107 8.584 8.443 0.141 1
1 1263 . 10 1 1 A 107 107 GLY HA2 H 107 3.706 4.264 -0.558 1
1 1264 . 10 1 1 A 107 107 GLY HA3 H 107 3.954 4.285 -0.331 1
1 1265 . 10 1 1 A 107 107 GLY C C 107 173.461 174.575 -1.114 1
1 1266 . 10 1 1 A 107 107 GLY CA C 107 45.258 45.787 -0.529 1
1 1267 . 10 1 1 A 107 107 GLY N N 107 114.561 112.635 1.926 1
1 1268 . 10 1 1 A 108 108 GLU H H 108 8.503 9.122 -0.619 1
1 1269 . 10 1 1 A 108 108 GLU HA H 108 4.051 3.989 0.062 1
1 1274 . 10 1 1 A 108 108 GLU C C 108 178.118 178.644 -0.526 1
1 1275 . 10 1 1 A 108 108 GLU CA C 108 57.478 59.364 -1.886 1
1 1276 . 10 1 1 A 108 108 GLU CB C 108 29.835 29.567 0.268 1
1 1278 . 10 1 1 A 108 108 GLU N N 108 119.609 125.448 -5.839 1
1 1279 . 10 1 1 A 109 109 SER H H 109 8.082 7.980 0.102 1
1 1280 . 10 1 1 A 109 109 SER HA H 109 4.127 4.499 -0.372 1
1 1283 . 10 1 1 A 109 109 SER C C 109 173.569 174.672 -1.103 1
1 1284 . 10 1 1 A 109 109 SER CA C 109 60.141 59.242 0.899 1
1 1285 . 10 1 1 A 109 109 SER CB C 109 63.935 63.373 0.562 1
1 1286 . 10 1 1 A 109 109 SER N N 109 112.186 113.081 -0.895 1
1 1287 . 10 1 1 A 110 110 ILE H H 110 6.570 7.840 -1.270 1
1 1288 . 10 1 1 A 110 110 ILE HA H 110 4.235 4.611 -0.376 1
1 1298 . 10 1 1 A 110 110 ILE CA C 110 58.031 58.097 -0.066 1
1 1299 . 10 1 1 A 110 110 ILE CB C 110 39.086 37.965 1.121 1
1 1303 . 10 1 1 A 110 110 ILE N N 110 116.937 118.104 -1.167 1
1 1304 . 10 1 1 A 111 111 PRO HA H 111 4.510 4.923 -0.413 1
1 1311 . 10 1 1 A 111 111 PRO C C 111 179.076 177.263 1.813 1
1 1312 . 10 1 1 A 111 111 PRO CA C 111 61.703 62.503 -0.800 1
1 1313 . 10 1 1 A 111 111 PRO CB C 111 32.729 33.586 -0.857 1
1 1316 . 10 1 1 A 112 112 GLY H H 112 9.018 8.516 0.502 1
1 1317 . 10 1 1 A 112 112 GLY HA2 H 112 3.461 4.076 -0.615 1
1 1318 . 10 1 1 A 112 112 GLY HA3 H 112 3.714 4.077 -0.363 1
1 1319 . 10 1 1 A 112 112 GLY C C 112 172.723 174.876 -2.153 1
1 1320 . 10 1 1 A 112 112 GLY CA C 112 46.262 45.226 1.036 1
1 1321 . 10 1 1 A 112 112 GLY N N 112 111.592 109.777 1.815 1
1 1322 . 10 1 1 A 113 113 ASN H H 113 8.381 8.261 0.120 1
1 1323 . 10 1 1 A 113 113 ASN HA H 113 4.278 4.333 -0.055 1
1 1328 . 10 1 1 A 113 113 ASN C C 113 174.643 173.985 0.658 1
1 1329 . 10 1 1 A 113 113 ASN CA C 113 54.388 54.667 -0.279 1
1 1330 . 10 1 1 A 113 113 ASN CB C 113 37.204 37.174 0.030 1
1 1331 . 10 1 1 A 113 113 ASN N N 113 116.937 112.883 4.054 1
1 1333 . 10 1 1 A 114 114 SER H H 114 7.617 7.939 -0.322 1
1 1334 . 10 1 1 A 114 114 SER HA H 114 4.517 4.821 -0.304 1
1 1337 . 10 1 1 A 114 114 SER C C 114 172.904 173.164 -0.260 1
1 1338 . 10 1 1 A 114 114 SER CA C 114 59.864 57.796 2.068 1
1 1339 . 10 1 1 A 114 114 SER CB C 114 64.678 65.491 -0.813 1
1 1340 . 10 1 1 A 114 114 SER N N 114 113.077 113.596 -0.519 1
1 1341 . 10 1 1 A 115 115 VAL H H 115 8.500 8.408 0.092 1
1 1342 . 10 1 1 A 115 115 VAL HA H 115 4.341 4.836 -0.495 1
1 1350 . 10 1 1 A 115 115 VAL C C 115 176.075 174.071 2.004 1
1 1351 . 10 1 1 A 115 115 VAL CA C 115 62.705 60.596 2.109 1
1 1352 . 10 1 1 A 115 115 VAL CB C 115 31.546 33.121 -1.575 1
1 1355 . 10 1 1 A 115 115 VAL N N 115 124.360 123.430 0.930 1
1 1356 . 10 1 1 A 116 116 LEU H H 116 9.104 9.038 0.066 1
1 1357 . 10 1 1 A 116 116 LEU HA H 116 5.002 5.026 -0.024 1
1 1367 . 10 1 1 A 116 116 LEU C C 116 174.923 175.319 -0.396 1
1 1368 . 10 1 1 A 116 116 LEU CA C 116 53.123 53.547 -0.424 1
1 1369 . 10 1 1 A 116 116 LEU CB C 116 45.379 44.579 0.800 1
1 1373 . 10 1 1 A 116 116 LEU N N 116 128.814 130.127 -1.313 1
1 1374 . 10 1 1 A 117 117 LEU H H 117 9.009 8.666 0.343 1
1 1375 . 10 1 1 A 117 117 LEU HA H 117 5.601 5.487 0.114 1
1 1385 . 10 1 1 A 117 117 LEU C C 117 176.574 175.210 1.364 1
1 1386 . 10 1 1 A 117 117 LEU CA C 117 52.750 53.205 -0.455 1
1 1387 . 10 1 1 A 117 117 LEU CB C 117 44.693 43.118 1.575 1
1 1391 . 10 1 1 A 117 117 LEU N N 117 121.391 123.685 -2.294 1
1 1392 . 10 1 1 A 118 118 PHE H H 118 9.375 8.958 0.417 1
1 1393 . 10 1 1 A 118 118 PHE HA H 118 6.155 4.985 1.170 1
1 1401 . 10 1 1 A 118 118 PHE C C 118 176.518 175.851 0.667 1
1 1402 . 10 1 1 A 118 118 PHE CA C 118 55.411 56.447 -1.036 1
1 1403 . 10 1 1 A 118 118 PHE CB C 118 42.385 42.253 0.132 1
1 1404 . 10 1 1 A 118 118 PHE N N 118 117.531 124.009 -6.478 1
1 1405 . 10 1 1 A 119 119 GLU H H 119 8.905 9.810 -0.905 1
1 1406 . 10 1 1 A 119 119 GLU HA H 119 5.604 4.765 0.839 1
1 1411 . 10 1 1 A 119 119 GLU C C 119 175.947 175.963 -0.016 1
1 1412 . 10 1 1 A 119 119 GLU CA C 119 60.489 56.796 3.693 1
1 1413 . 10 1 1 A 119 119 GLU CB C 119 31.189 30.340 0.849 1
1 1415 . 10 1 1 A 119 119 GLU N N 119 122.876 122.280 0.596 1
1 1416 . 10 1 1 A 120 120 ILE H H 120 8.912 9.114 -0.202 1
1 1417 . 10 1 1 A 120 120 ILE HA H 120 4.965 4.823 0.142 1
1 1427 . 10 1 1 A 120 120 ILE C C 120 173.341 174.335 -0.994 1
1 1428 . 10 1 1 A 120 120 ILE CA C 120 60.568 60.205 0.363 1
1 1429 . 10 1 1 A 120 120 ILE CB C 120 41.927 38.679 3.248 1
1 1433 . 10 1 1 A 120 120 ILE N N 120 123.000 126.337 -3.337 1
1 1434 . 10 1 1 A 121 121 GLU H H 121 9.074 8.612 0.462 1
1 1435 . 10 1 1 A 121 121 GLU HA H 121 5.445 5.003 0.442 1
1 1440 . 10 1 1 A 121 121 GLU C C 121 175.254 174.638 0.616 1
1 1441 . 10 1 1 A 121 121 GLU CA C 121 53.941 54.433 -0.492 1
1 1442 . 10 1 1 A 121 121 GLU CB C 121 33.897 32.412 1.485 1
1 1444 . 10 1 1 A 121 121 GLU N N 121 128.221 128.589 -0.368 1
1 1445 . 10 1 1 A 122 122 LEU H H 122 8.112 8.634 -0.522 1
1 1446 . 10 1 1 A 122 122 LEU HA H 122 4.680 4.408 0.272 1
1 1456 . 10 1 1 A 122 122 LEU C C 122 174.472 176.898 -2.426 1
1 1457 . 10 1 1 A 122 122 LEU CA C 122 54.403 54.187 0.216 1
1 1458 . 10 1 1 A 122 122 LEU CB C 122 40.796 41.741 -0.945 1
1 1462 . 10 1 1 A 122 122 LEU N N 122 127.033 127.871 -0.838 1
1 1463 . 10 1 1 A 123 123 LEU H H 123 8.704 8.489 0.215 1
1 1464 . 10 1 1 A 123 123 LEU HA H 123 4.385 4.416 -0.031 1
1 1474 . 10 1 1 A 123 123 LEU C C 123 177.614 177.125 0.489 1
1 1475 . 10 1 1 A 123 123 LEU CA C 123 57.095 55.160 1.935 1
1 1476 . 10 1 1 A 123 123 LEU CB C 123 42.226 42.482 -0.256 1
1 1480 . 10 1 1 A 123 123 LEU N N 123 128.814 122.976 5.838 1
1 1481 . 10 1 1 A 124 124 SER H H 124 7.602 7.211 0.391 1
1 1482 . 10 1 1 A 124 124 SER HA H 124 4.161 5.163 -1.002 1
1 1485 . 10 1 1 A 124 124 SER C C 124 171.375 172.888 -1.513 1
1 1486 . 10 1 1 A 124 124 SER CA C 124 57.545 57.636 -0.091 1
1 1487 . 10 1 1 A 124 124 SER CB C 124 63.359 67.006 -3.647 1
1 1488 . 10 1 1 A 124 124 SER N N 124 105.653 114.564 -8.911 1
1 1489 . 10 1 1 A 125 125 PHE H H 125 7.818 9.111 -1.293 1
1 1490 . 10 1 1 A 125 125 PHE HA H 125 5.451 5.480 -0.029 1
1 1498 . 10 1 1 A 125 125 PHE C C 125 173.154 173.197 -0.043 1
1 1499 . 10 1 1 A 125 125 PHE CA C 125 56.463 56.357 0.106 1
1 1500 . 10 1 1 A 125 125 PHE CB C 125 42.301 41.052 1.249 1
1 1501 . 10 1 1 A 125 125 PHE N N 125 113.373 120.191 -6.818 1
1 1502 . 10 1 1 A 126 126 ARG H H 126 8.934 8.410 0.524 1
1 1503 . 10 1 1 A 126 126 ARG HA H 126 4.693 4.790 -0.097 1
1 1510 . 10 1 1 A 126 126 ARG C C 126 174.013 174.028 -0.015 1
1 1511 . 10 1 1 A 126 126 ARG CA C 126 54.654 54.498 0.156 1
1 1512 . 10 1 1 A 126 126 ARG CB C 126 33.064 33.999 -0.935 1
1 1515 . 10 1 1 A 126 126 ARG N N 126 116.046 118.144 -2.098 1
1 1516 . 10 1 1 A 127 127 GLU H H 127 8.665 8.548 0.117 1
1 1517 . 10 1 1 A 127 127 GLU HA H 127 4.436 5.114 -0.678 1
1 1522 . 10 1 1 A 127 127 GLU C C 127 176.050 175.059 0.991 1
1 1523 . 10 1 1 A 127 127 GLU CA C 127 55.552 54.764 0.788 1
1 1524 . 10 1 1 A 127 127 GLU CB C 127 30.600 32.315 -1.715 1
1 1 . 11 1 1 A 2 2 THR HA H 2 4.479 4.290 0.189 1
1 6 . 11 1 1 A 2 2 THR C C 2 174.348 174.253 0.095 1
1 7 . 11 1 1 A 2 2 THR CA C 2 61.838 64.629 -2.791 1
1 8 . 11 1 1 A 2 2 THR CB C 2 69.919 69.772 0.147 1
1 10 . 11 1 1 A 3 3 THR H H 3 8.289 7.956 0.333 1
1 11 . 11 1 1 A 3 3 THR HA H 3 4.282 4.363 -0.081 1
1 16 . 11 1 1 A 3 3 THR C C 3 174.404 172.825 1.579 1
1 17 . 11 1 1 A 3 3 THR CA C 3 62.140 64.465 -2.325 1
1 18 . 11 1 1 A 3 3 THR CB C 3 69.658 67.659 1.999 1
1 20 . 11 1 1 A 3 3 THR N N 3 116.640 113.903 2.737 1
1 21 . 11 1 1 A 4 4 GLU H H 4 8.567 8.410 0.157 1
1 22 . 11 1 1 A 4 4 GLU HA H 4 4.156 5.007 -0.851 1
1 27 . 11 1 1 A 4 4 GLU C C 4 176.216 175.267 0.949 1
1 28 . 11 1 1 A 4 4 GLU CA C 4 56.929 54.599 2.330 1
1 29 . 11 1 1 A 4 4 GLU CB C 4 29.821 32.941 -3.120 1
1 31 . 11 1 1 A 4 4 GLU N N 4 123.469 122.992 0.477 1
1 32 . 11 1 1 A 5 5 GLN H H 5 8.222 8.342 -0.120 1
1 33 . 11 1 1 A 5 5 GLN HA H 5 4.167 4.432 -0.265 1
1 40 . 11 1 1 A 5 5 GLN C C 5 175.216 175.212 0.004 1
1 41 . 11 1 1 A 5 5 GLN CA C 5 55.674 56.149 -0.475 1
1 42 . 11 1 1 A 5 5 GLN CB C 5 29.553 29.368 0.185 1
1 45 . 11 1 1 A 5 5 GLN N N 5 120.797 121.358 -0.561 1
1 47 . 11 1 1 A 6 6 GLU H H 6 8.171 8.507 -0.336 1
1 48 . 11 1 1 A 6 6 GLU HA H 6 4.080 4.213 -0.133 1
1 53 . 11 1 1 A 6 6 GLU C C 6 175.870 175.524 0.346 1
1 54 . 11 1 1 A 6 6 GLU CA C 6 56.400 54.634 1.766 1
1 55 . 11 1 1 A 6 6 GLU CB C 6 30.335 29.562 0.773 1
1 57 . 11 1 1 A 6 6 GLU N N 6 122.100 123.312 -1.212 1
1 58 . 11 1 1 A 7 7 PHE H H 7 8.051 7.219 0.832 1
1 59 . 11 1 1 A 7 7 PHE HA H 7 4.710 4.938 -0.228 1
1 67 . 11 1 1 A 7 7 PHE C C 7 175.461 174.615 0.846 1
1 68 . 11 1 1 A 7 7 PHE CA C 7 56.825 56.279 0.546 1
1 69 . 11 1 1 A 7 7 PHE CB C 7 39.812 40.400 -0.588 1
1 70 . 11 1 1 A 7 7 PHE N N 7 120.500 122.061 -1.561 1
1 71 . 11 1 1 A 8 8 GLU H H 8 8.626 8.924 -0.298 1
1 72 . 11 1 1 A 8 8 GLU HA H 8 4.193 4.903 -0.710 1
1 77 . 11 1 1 A 8 8 GLU C C 8 176.141 175.712 0.429 1
1 78 . 11 1 1 A 8 8 GLU CA C 8 56.932 54.921 2.011 1
1 79 . 11 1 1 A 8 8 GLU CB C 8 30.794 32.135 -1.341 1
1 81 . 11 1 1 A 8 8 GLU N N 8 123.469 120.949 2.520 1
1 82 . 11 1 1 A 9 9 LYS H H 9 8.396 8.717 -0.321 1
1 83 . 11 1 1 A 9 9 LYS HA H 9 5.100 4.927 0.173 1
1 92 . 11 1 1 A 9 9 LYS C C 9 176.168 175.627 0.541 1
1 93 . 11 1 1 A 9 9 LYS CA C 9 55.428 55.288 0.140 1
1 94 . 11 1 1 A 9 9 LYS CB C 9 34.214 34.035 0.179 1
1 98 . 11 1 1 A 9 9 LYS N N 9 124.954 124.790 0.164 1
1 99 . 11 1 1 A 10 10 VAL H H 10 9.445 9.322 0.123 1
1 100 . 11 1 1 A 10 10 VAL HA H 10 4.278 4.542 -0.264 1
1 108 . 11 1 1 A 10 10 VAL C C 10 174.967 175.428 -0.461 1
1 109 . 11 1 1 A 10 10 VAL CA C 10 60.951 61.472 -0.521 1
1 110 . 11 1 1 A 10 10 VAL CB C 10 34.681 32.081 2.600 1
1 113 . 11 1 1 A 10 10 VAL N N 10 124.360 125.022 -0.662 1
1 114 . 11 1 1 A 11 11 GLU H H 11 9.021 8.746 0.275 1
1 115 . 11 1 1 A 11 11 GLU HA H 11 4.369 4.650 -0.281 1
1 120 . 11 1 1 A 11 11 GLU C C 11 174.797 176.022 -1.225 1
1 121 . 11 1 1 A 11 11 GLU CA C 11 56.728 55.750 0.978 1
1 122 . 11 1 1 A 11 11 GLU CB C 11 28.655 30.701 -2.046 1
1 124 . 11 1 1 A 11 11 GLU N N 11 127.924 127.887 0.037 1
1 125 . 11 1 1 A 12 12 LEU H H 12 8.396 8.779 -0.383 1
1 126 . 11 1 1 A 12 12 LEU HA H 12 4.311 3.821 0.490 1
1 136 . 11 1 1 A 12 12 LEU C C 12 176.600 175.636 0.964 1
1 137 . 11 1 1 A 12 12 LEU CA C 12 55.292 55.936 -0.644 1
1 138 . 11 1 1 A 12 12 LEU CB C 12 42.624 40.755 1.869 1
1 142 . 11 1 1 A 12 12 LEU N N 12 124.954 118.779 6.175 1
1 143 . 11 1 1 A 13 13 THR H H 13 7.328 7.329 -0.001 1
1 144 . 11 1 1 A 13 13 THR HA H 13 4.530 4.241 0.289 1
1 149 . 11 1 1 A 13 13 THR C C 13 175.180 176.014 -0.834 1
1 150 . 11 1 1 A 13 13 THR CA C 13 59.603 62.425 -2.822 1
1 151 . 11 1 1 A 13 13 THR CB C 13 70.742 69.486 1.256 1
1 153 . 11 1 1 A 13 13 THR N N 13 106.841 112.903 -6.062 1
1 154 . 11 1 1 A 14 14 ALA H H 14 8.689 8.853 -0.164 1
1 155 . 11 1 1 A 14 14 ALA HA H 14 4.247 4.133 0.114 1
1 159 . 11 1 1 A 14 14 ALA C C 14 177.522 177.571 -0.049 1
1 160 . 11 1 1 A 14 14 ALA CA C 14 53.875 53.534 0.341 1
1 161 . 11 1 1 A 14 14 ALA CB C 14 17.920 18.710 -0.790 1
1 162 . 11 1 1 A 14 14 ALA N N 14 123.733 129.309 -5.576 1
1 163 . 11 1 1 A 15 15 ASP H H 15 7.516 7.759 -0.243 1
1 164 . 11 1 1 A 15 15 ASP HA H 15 4.518 4.685 -0.167 1
1 167 . 11 1 1 A 15 15 ASP C C 15 177.402 176.398 1.004 1
1 168 . 11 1 1 A 15 15 ASP CA C 15 52.635 54.310 -1.675 1
1 169 . 11 1 1 A 15 15 ASP CB C 15 40.912 41.140 -0.228 1
1 170 . 11 1 1 A 15 15 ASP N N 15 113.967 116.926 -2.959 1
1 171 . 11 1 1 A 16 16 GLY H H 16 7.986 7.464 0.522 1
1 172 . 11 1 1 A 16 16 GLY HA2 H 16 4.080 4.004 0.076 1
1 173 . 11 1 1 A 16 16 GLY HA3 H 16 3.529 4.013 -0.484 1
1 174 . 11 1 1 A 16 16 GLY C C 16 175.233 175.329 -0.096 1
1 175 . 11 1 1 A 16 16 GLY CA C 16 45.798 45.049 0.749 1
1 176 . 11 1 1 A 16 16 GLY N N 16 108.919 105.608 3.311 1
1 177 . 11 1 1 A 17 17 GLY H H 17 8.681 8.737 -0.056 1
1 178 . 11 1 1 A 17 17 GLY HA2 H 17 4.513 3.908 0.605 1
1 179 . 11 1 1 A 17 17 GLY HA3 H 17 4.513 3.913 0.600 1
1 180 . 11 1 1 A 17 17 GLY C C 17 172.684 174.125 -1.441 1
1 181 . 11 1 1 A 17 17 GLY CA C 17 46.672 46.938 -0.266 1
1 182 . 11 1 1 A 17 17 GLY N N 17 108.663 106.739 1.924 1
1 183 . 11 1 1 A 18 18 VAL H H 18 6.903 7.451 -0.548 1
1 184 . 11 1 1 A 18 18 VAL HA H 18 4.855 4.268 0.587 1
1 192 . 11 1 1 A 18 18 VAL C C 18 174.737 174.570 0.167 1
1 193 . 11 1 1 A 18 18 VAL CA C 18 62.035 60.212 1.823 1
1 194 . 11 1 1 A 18 18 VAL CB C 18 33.315 35.411 -2.096 1
1 197 . 11 1 1 A 18 18 VAL N N 18 117.234 118.480 -1.246 1
1 198 . 11 1 1 A 19 19 ILE H H 19 8.243 8.308 -0.065 1
1 199 . 11 1 1 A 19 19 ILE HA H 19 4.665 4.546 0.119 1
1 209 . 11 1 1 A 19 19 ILE C C 19 174.360 175.559 -1.199 1
1 210 . 11 1 1 A 19 19 ILE CA C 19 60.736 60.615 0.121 1
1 211 . 11 1 1 A 19 19 ILE CB C 19 41.856 37.165 4.691 1
1 215 . 11 1 1 A 19 19 ILE N N 19 126.439 127.119 -0.680 1
1 216 . 11 1 1 A 20 20 LYS H H 20 9.345 9.158 0.187 1
1 217 . 11 1 1 A 20 20 LYS HA H 20 5.296 5.006 0.290 1
1 226 . 11 1 1 A 20 20 LYS C C 20 173.618 174.761 -1.143 1
1 227 . 11 1 1 A 20 20 LYS CA C 20 54.842 54.418 0.424 1
1 228 . 11 1 1 A 20 20 LYS CB C 20 36.261 35.528 0.733 1
1 232 . 11 1 1 A 20 20 LYS N N 20 129.408 124.878 4.530 1
1 233 . 11 1 1 A 21 21 THR H H 21 9.597 9.381 0.216 1
1 234 . 11 1 1 A 21 21 THR HA H 21 4.923 4.938 -0.015 1
1 239 . 11 1 1 A 21 21 THR C C 21 174.648 174.930 -0.282 1
1 240 . 11 1 1 A 21 21 THR CA C 21 61.703 62.218 -0.515 1
1 241 . 11 1 1 A 21 21 THR CB C 21 70.230 69.735 0.495 1
1 243 . 11 1 1 A 21 21 THR N N 21 123.469 118.607 4.862 1
1 244 . 11 1 1 A 22 22 ILE H H 22 9.248 7.995 1.253 1
1 245 . 11 1 1 A 22 22 ILE HA H 22 3.637 4.091 -0.454 1
1 255 . 11 1 1 A 22 22 ILE C C 22 174.348 175.303 -0.955 1
1 256 . 11 1 1 A 22 22 ILE CA C 22 64.258 62.788 1.470 1
1 257 . 11 1 1 A 22 22 ILE CB C 22 37.551 38.246 -0.695 1
1 261 . 11 1 1 A 22 22 ILE N N 22 128.517 129.281 -0.764 1
1 262 . 11 1 1 A 23 23 LEU H H 23 8.498 9.028 -0.530 1
1 263 . 11 1 1 A 23 23 LEU HA H 23 4.180 4.349 -0.169 1
1 273 . 11 1 1 A 23 23 LEU C C 23 177.521 176.616 0.905 1
1 274 . 11 1 1 A 23 23 LEU CA C 23 55.460 56.285 -0.825 1
1 275 . 11 1 1 A 23 23 LEU CB C 23 42.239 43.688 -1.449 1
1 279 . 11 1 1 A 23 23 LEU N N 23 128.517 130.028 -1.511 1
1 280 . 11 1 1 A 24 24 LYS H H 24 8.020 8.053 -0.033 1
1 281 . 11 1 1 A 24 24 LYS HA H 24 4.392 4.929 -0.537 1
1 290 . 11 1 1 A 24 24 LYS C C 24 174.465 174.967 -0.502 1
1 291 . 11 1 1 A 24 24 LYS CA C 24 55.848 54.816 1.032 1
1 292 . 11 1 1 A 24 24 LYS CB C 24 35.692 35.214 0.478 1
1 296 . 11 1 1 A 24 24 LYS N N 24 120.797 117.088 3.709 1
1 297 . 11 1 1 A 25 25 LYS H H 25 8.657 8.925 -0.268 1
1 298 . 11 1 1 A 25 25 LYS HA H 25 4.178 5.013 -0.835 1
1 307 . 11 1 1 A 25 25 LYS C C 25 177.616 176.362 1.254 1
1 308 . 11 1 1 A 25 25 LYS CA C 25 57.218 54.340 2.878 1
1 309 . 11 1 1 A 25 25 LYS CB C 25 32.846 35.189 -2.343 1
1 313 . 11 1 1 A 25 25 LYS N N 25 126.439 127.107 -0.668 1
1 314 . 11 1 1 A 26 26 GLY H H 26 9.728 8.818 0.910 1
1 315 . 11 1 1 A 26 26 GLY HA2 H 26 3.408 4.086 -0.678 1
1 316 . 11 1 1 A 26 26 GLY HA3 H 26 4.120 4.093 0.027 1
1 317 . 11 1 1 A 26 26 GLY C C 26 173.278 173.360 -0.082 1
1 318 . 11 1 1 A 26 26 GLY CA C 26 43.709 44.497 -0.788 1
1 319 . 11 1 1 A 26 26 GLY N N 26 110.404 108.056 2.348 1
1 320 . 11 1 1 A 27 27 ASP H H 27 8.550 8.231 0.319 1
1 321 . 11 1 1 A 27 27 ASP HA H 27 4.401 4.930 -0.529 1
1 324 . 11 1 1 A 27 27 ASP C C 27 175.993 175.772 0.221 1
1 325 . 11 1 1 A 27 27 ASP CA C 27 55.105 54.497 0.608 1
1 326 . 11 1 1 A 27 27 ASP CB C 27 41.688 42.754 -1.066 1
1 327 . 11 1 1 A 27 27 ASP N N 27 121.391 120.942 0.449 1
1 328 . 11 1 1 A 28 28 GLU H H 28 8.419 8.160 0.259 1
1 329 . 11 1 1 A 28 28 GLU HA H 28 4.063 4.624 -0.561 1
1 334 . 11 1 1 A 28 28 GLU C C 28 176.146 176.018 0.128 1
1 335 . 11 1 1 A 28 28 GLU CA C 28 57.076 55.372 1.704 1
1 336 . 11 1 1 A 28 28 GLU CB C 28 30.774 32.032 -1.258 1
1 338 . 11 1 1 A 28 28 GLU N N 28 120.203 115.489 4.714 1
1 339 . 11 1 1 A 29 29 GLY H H 29 8.364 8.331 0.033 1
1 340 . 11 1 1 A 29 29 GLY HA2 H 29 4.758 4.194 0.564 1
1 341 . 11 1 1 A 29 29 GLY HA3 H 29 4.584 4.218 0.366 1
1 342 . 11 1 1 A 29 29 GLY C C 29 175.976 174.828 1.148 1
1 343 . 11 1 1 A 29 29 GLY CA C 29 44.686 45.694 -1.008 1
1 344 . 11 1 1 A 29 29 GLY N N 29 110.404 107.467 2.937 1
1 345 . 11 1 1 A 30 30 GLU H H 30 8.867 8.183 0.684 1
1 346 . 11 1 1 A 30 30 GLU HA H 30 3.749 3.949 -0.200 1
1 351 . 11 1 1 A 30 30 GLU C C 30 177.872 177.934 -0.062 1
1 352 . 11 1 1 A 30 30 GLU CA C 30 59.045 58.981 0.064 1
1 353 . 11 1 1 A 30 30 GLU CB C 30 29.030 29.717 -0.687 1
1 355 . 11 1 1 A 30 30 GLU N N 30 125.251 120.566 4.685 1
1 356 . 11 1 1 A 31 31 GLU H H 31 9.842 7.806 2.036 1
1 357 . 11 1 1 A 31 31 GLU HA H 31 4.312 4.550 -0.238 1
1 362 . 11 1 1 A 31 31 GLU C C 31 176.330 176.535 -0.205 1
1 363 . 11 1 1 A 31 31 GLU CA C 31 57.437 55.698 1.739 1
1 364 . 11 1 1 A 31 31 GLU CB C 31 28.040 30.378 -2.338 1
1 366 . 11 1 1 A 31 31 GLU N N 31 118.421 118.490 -0.069 1
1 367 . 11 1 1 A 32 32 ASN H H 32 7.731 7.621 0.110 1
1 368 . 11 1 1 A 32 32 ASN HA H 32 5.127 5.430 -0.303 1
1 373 . 11 1 1 A 32 32 ASN C C 32 172.750 173.932 -1.182 1
1 374 . 11 1 1 A 32 32 ASN CA C 32 54.111 52.352 1.759 1
1 375 . 11 1 1 A 32 32 ASN CB C 32 40.161 39.606 0.555 1
1 376 . 11 1 1 A 32 32 ASN N N 32 116.937 119.162 -2.225 1
1 378 . 11 1 1 A 33 33 ILE H H 33 7.105 8.613 -1.508 1
1 379 . 11 1 1 A 33 33 ILE HA H 33 4.793 4.545 0.248 1
1 389 . 11 1 1 A 33 33 ILE CA C 33 57.895 57.468 0.427 1
1 390 . 11 1 1 A 33 33 ILE CB C 33 40.609 41.298 -0.689 1
1 394 . 11 1 1 A 33 33 ILE N N 33 121.985 125.736 -3.751 1
1 395 . 11 1 1 A 34 34 PRO HA H 34 4.065 4.848 -0.783 1
1 402 . 11 1 1 A 34 34 PRO C C 34 173.754 176.188 -2.434 1
1 403 . 11 1 1 A 34 34 PRO CA C 34 61.962 62.529 -0.567 1
1 404 . 11 1 1 A 34 34 PRO CB C 34 31.877 31.674 0.203 1
1 407 . 11 1 1 A 35 35 LYS H H 35 7.101 8.570 -1.469 1
1 408 . 11 1 1 A 35 35 LYS HA H 35 4.377 4.825 -0.448 1
1 417 . 11 1 1 A 35 35 LYS C C 35 175.712 175.347 0.365 1
1 418 . 11 1 1 A 35 35 LYS CA C 35 53.404 54.646 -1.242 1
1 419 . 11 1 1 A 35 35 LYS CB C 35 35.229 36.022 -0.793 1
1 423 . 11 1 1 A 35 35 LYS N N 35 116.046 121.783 -5.737 1
1 424 . 11 1 1 A 36 36 LYS H H 36 8.144 8.640 -0.496 1
1 425 . 11 1 1 A 36 36 LYS HA H 36 3.515 4.013 -0.498 1
1 434 . 11 1 1 A 36 36 LYS C C 36 176.774 177.432 -0.658 1
1 435 . 11 1 1 A 36 36 LYS CA C 36 58.608 58.085 0.523 1
1 436 . 11 1 1 A 36 36 LYS CB C 36 32.089 32.342 -0.253 1
1 440 . 11 1 1 A 36 36 LYS N N 36 120.797 124.072 -3.275 1
1 441 . 11 1 1 A 37 37 GLY H H 37 9.113 9.021 0.092 1
1 442 . 11 1 1 A 37 37 GLY HA2 H 37 3.494 4.032 -0.538 1
1 443 . 11 1 1 A 37 37 GLY HA3 H 37 4.330 4.041 0.289 1
1 444 . 11 1 1 A 37 37 GLY C C 37 175.329 174.200 1.129 1
1 445 . 11 1 1 A 37 37 GLY CA C 37 44.853 45.109 -0.256 1
1 446 . 11 1 1 A 37 37 GLY N N 37 113.967 114.918 -0.951 1
1 447 . 11 1 1 A 38 38 ASN H H 38 8.447 7.939 0.508 1
1 448 . 11 1 1 A 38 38 ASN HA H 38 4.663 4.972 -0.309 1
1 453 . 11 1 1 A 38 38 ASN C C 38 174.878 175.256 -0.378 1
1 454 . 11 1 1 A 38 38 ASN CA C 38 53.557 52.802 0.755 1
1 455 . 11 1 1 A 38 38 ASN CB C 38 39.155 39.675 -0.520 1
1 457 . 11 1 1 A 38 38 ASN N N 38 117.828 119.582 -1.754 1
1 459 . 11 1 1 A 39 39 GLU H H 39 8.331 8.640 -0.309 1
1 460 . 11 1 1 A 39 39 GLU HA H 39 4.254 4.646 -0.392 1
1 465 . 11 1 1 A 39 39 GLU C C 39 175.656 176.181 -0.525 1
1 466 . 11 1 1 A 39 39 GLU CA C 39 55.804 56.591 -0.787 1
1 467 . 11 1 1 A 39 39 GLU CB C 39 31.464 29.557 1.907 1
1 469 . 11 1 1 A 39 39 GLU N N 39 121.094 122.053 -0.959 1
1 470 . 11 1 1 A 40 40 VAL H H 40 9.138 8.366 0.772 1
1 471 . 11 1 1 A 40 40 VAL HA H 40 4.699 4.867 -0.168 1
1 479 . 11 1 1 A 40 40 VAL C C 40 173.240 173.988 -0.748 1
1 480 . 11 1 1 A 40 40 VAL CA C 40 59.559 60.048 -0.489 1
1 481 . 11 1 1 A 40 40 VAL CB C 40 32.896 34.342 -1.446 1
1 484 . 11 1 1 A 40 40 VAL N N 40 125.845 118.014 7.831 1
1 485 . 11 1 1 A 41 41 THR H H 41 8.328 8.877 -0.549 1
1 486 . 11 1 1 A 41 41 THR HA H 41 4.982 5.139 -0.157 1
1 491 . 11 1 1 A 41 41 THR C C 41 174.455 174.180 0.275 1
1 492 . 11 1 1 A 41 41 THR CA C 41 61.964 61.274 0.690 1
1 493 . 11 1 1 A 41 41 THR CB C 41 69.623 70.557 -0.934 1
1 495 . 11 1 1 A 41 41 THR N N 41 117.531 116.199 1.332 1
1 496 . 11 1 1 A 42 42 VAL H H 42 9.581 8.575 1.006 1
1 497 . 11 1 1 A 42 42 VAL HA H 42 5.669 5.371 0.298 1
1 505 . 11 1 1 A 42 42 VAL C C 42 174.919 173.471 1.448 1
1 506 . 11 1 1 A 42 42 VAL CA C 42 57.930 58.576 -0.646 1
1 507 . 11 1 1 A 42 42 VAL CB C 42 35.321 35.498 -0.177 1
1 510 . 11 1 1 A 42 42 VAL N N 42 117.828 119.458 -1.630 1
1 511 . 11 1 1 A 43 43 HIS H H 43 8.333 9.063 -0.730 1
1 512 . 11 1 1 A 43 43 HIS HA H 43 5.407 5.298 0.109 1
1 515 . 11 1 1 A 43 43 HIS C C 43 176.136 173.679 2.457 1
1 516 . 11 1 1 A 43 43 HIS CA C 43 54.147 54.586 -0.439 1
1 517 . 11 1 1 A 43 43 HIS CB C 43 35.339 33.204 2.135 1
1 518 . 11 1 1 A 43 43 HIS N N 43 119.906 123.812 -3.906 1
1 519 . 11 1 1 A 44 44 TYR H H 44 9.622 8.834 0.788 1
1 520 . 11 1 1 A 44 44 TYR HA H 44 6.247 6.640 -0.393 1
1 527 . 11 1 1 A 44 44 TYR C C 44 172.857 173.732 -0.875 1
1 528 . 11 1 1 A 44 44 TYR CA C 44 56.304 55.503 0.801 1
1 529 . 11 1 1 A 44 44 TYR CB C 44 43.537 42.892 0.645 1
1 530 . 11 1 1 A 44 44 TYR N N 44 117.234 121.573 -4.339 1
1 531 . 11 1 1 A 45 45 VAL H H 45 8.735 8.776 -0.041 1
1 532 . 11 1 1 A 45 45 VAL HA H 45 4.520 4.548 -0.028 1
1 540 . 11 1 1 A 45 45 VAL C C 45 175.200 174.623 0.577 1
1 541 . 11 1 1 A 45 45 VAL CA C 45 62.212 60.300 1.912 1
1 542 . 11 1 1 A 45 45 VAL CB C 45 35.550 34.626 0.924 1
1 545 . 11 1 1 A 45 45 VAL N N 45 118.125 119.320 -1.195 1
1 546 . 11 1 1 A 46 46 GLY H H 46 9.126 8.238 0.888 1
1 547 . 11 1 1 A 46 46 GLY HA2 H 46 4.539 4.154 0.385 1
1 548 . 11 1 1 A 46 46 GLY HA3 H 46 4.506 4.179 0.327 1
1 549 . 11 1 1 A 46 46 GLY C C 46 170.771 171.719 -0.948 1
1 550 . 11 1 1 A 46 46 GLY CA C 46 45.601 46.105 -0.504 1
1 551 . 11 1 1 A 46 46 GLY N N 46 114.858 111.386 3.472 1
1 552 . 11 1 1 A 47 47 LYS H H 47 9.121 8.241 0.880 1
1 553 . 11 1 1 A 47 47 LYS HA H 47 5.176 4.481 0.695 1
1 562 . 11 1 1 A 47 47 LYS C C 47 175.830 173.708 2.122 1
1 563 . 11 1 1 A 47 47 LYS CA C 47 53.937 54.237 -0.300 1
1 564 . 11 1 1 A 47 47 LYS CB C 47 37.021 35.871 1.150 1
1 568 . 11 1 1 A 47 47 LYS N N 47 123.469 118.883 4.586 1
1 569 . 11 1 1 A 48 48 LEU H H 48 8.016 9.169 -1.153 1
1 570 . 11 1 1 A 48 48 LEU HA H 48 4.692 4.592 0.100 1
1 580 . 11 1 1 A 48 48 LEU C C 48 178.031 176.888 1.143 1
1 581 . 11 1 1 A 48 48 LEU CA C 48 54.231 54.077 0.154 1
1 582 . 11 1 1 A 48 48 LEU CB C 48 41.678 42.414 -0.736 1
1 586 . 11 1 1 A 48 48 LEU N N 48 121.391 122.800 -1.409 1
1 587 . 11 1 1 A 49 49 GLU H H 49 8.085 8.639 -0.554 1
1 588 . 11 1 1 A 49 49 GLU HA H 49 3.835 3.971 -0.136 1
1 593 . 11 1 1 A 49 49 GLU C C 49 178.118 178.224 -0.106 1
1 594 . 11 1 1 A 49 49 GLU CA C 49 59.974 58.874 1.100 1
1 595 . 11 1 1 A 49 49 GLU CB C 49 30.322 29.495 0.827 1
1 597 . 11 1 1 A 49 49 GLU N N 49 124.954 127.169 -2.215 1
1 598 . 11 1 1 A 50 50 SER H H 50 9.220 7.970 1.250 1
1 599 . 11 1 1 A 50 50 SER HA H 50 4.154 4.251 -0.097 1
1 602 . 11 1 1 A 50 50 SER C C 50 176.751 175.553 1.198 1
1 603 . 11 1 1 A 50 50 SER CA C 50 60.230 60.854 -0.624 1
1 604 . 11 1 1 A 50 50 SER CB C 50 62.229 63.210 -0.981 1
1 605 . 11 1 1 A 50 50 SER N N 50 112.186 115.533 -3.347 1
1 606 . 11 1 1 A 51 51 THR H H 51 6.784 7.579 -0.795 1
1 607 . 11 1 1 A 51 51 THR HA H 51 4.520 4.597 -0.077 1
1 612 . 11 1 1 A 51 51 THR C C 51 176.342 174.838 1.504 1
1 613 . 11 1 1 A 51 51 THR CA C 51 60.760 61.484 -0.724 1
1 614 . 11 1 1 A 51 51 THR CB C 51 71.046 69.991 1.055 1
1 616 . 11 1 1 A 51 51 THR N N 51 105.653 113.344 -7.691 1
1 617 . 11 1 1 A 52 52 GLY H H 52 8.296 7.971 0.325 1
1 618 . 11 1 1 A 52 52 GLY HA2 H 52 3.680 3.930 -0.250 1
1 619 . 11 1 1 A 52 52 GLY HA3 H 52 4.096 3.934 0.162 1
1 620 . 11 1 1 A 52 52 GLY C C 52 173.336 174.519 -1.183 1
1 621 . 11 1 1 A 52 52 GLY CA C 52 45.711 46.699 -0.988 1
1 622 . 11 1 1 A 52 52 GLY N N 52 112.483 110.936 1.547 1
1 623 . 11 1 1 A 53 53 LYS H H 53 7.479 8.068 -0.589 1
1 624 . 11 1 1 A 53 53 LYS HA H 53 4.218 4.590 -0.372 1
1 633 . 11 1 1 A 53 53 LYS C C 53 176.513 175.576 0.937 1
1 634 . 11 1 1 A 53 53 LYS CA C 53 56.217 54.921 1.296 1
1 635 . 11 1 1 A 53 53 LYS CB C 53 33.430 34.646 -1.216 1
1 639 . 11 1 1 A 53 53 LYS N N 53 119.609 119.404 0.205 1
1 640 . 11 1 1 A 54 54 VAL H H 54 8.511 8.615 -0.104 1
1 641 . 11 1 1 A 54 54 VAL HA H 54 4.244 4.206 0.038 1
1 649 . 11 1 1 A 54 54 VAL C C 54 176.879 176.288 0.591 1
1 650 . 11 1 1 A 54 54 VAL CA C 54 62.409 62.696 -0.287 1
1 651 . 11 1 1 A 54 54 VAL CB C 54 32.697 33.008 -0.311 1
1 654 . 11 1 1 A 54 54 VAL N N 54 126.109 126.867 -0.758 1
1 655 . 11 1 1 A 55 55 PHE H H 55 8.325 8.434 -0.109 1
1 656 . 11 1 1 A 55 55 PHE HA H 55 5.036 4.870 0.166 1
1 664 . 11 1 1 A 55 55 PHE C C 55 174.856 174.393 0.463 1
1 665 . 11 1 1 A 55 55 PHE CA C 55 55.758 58.116 -2.358 1
1 666 . 11 1 1 A 55 55 PHE CB C 55 40.399 39.034 1.365 1
1 667 . 11 1 1 A 55 55 PHE N N 55 124.063 127.292 -3.229 1
1 668 . 11 1 1 A 56 56 ASP H H 56 6.884 8.995 -2.111 1
1 669 . 11 1 1 A 56 56 ASP HA H 56 4.801 5.118 -0.317 1
1 672 . 11 1 1 A 56 56 ASP C C 56 173.688 174.406 -0.718 1
1 673 . 11 1 1 A 56 56 ASP CA C 56 54.956 53.057 1.899 1
1 674 . 11 1 1 A 56 56 ASP CB C 56 43.616 41.467 2.149 1
1 675 . 11 1 1 A 56 56 ASP N N 56 120.500 126.834 -6.334 1
1 676 . 11 1 1 A 57 57 SER H H 57 8.038 9.137 -1.099 1
1 677 . 11 1 1 A 57 57 SER HA H 57 4.796 4.789 0.007 1
1 680 . 11 1 1 A 57 57 SER C C 57 174.997 174.321 0.676 1
1 681 . 11 1 1 A 57 57 SER CA C 57 55.792 57.245 -1.453 1
1 682 . 11 1 1 A 57 57 SER CB C 57 64.961 65.836 -0.875 1
1 683 . 11 1 1 A 57 57 SER N N 57 118.421 121.352 -2.931 1
1 684 . 11 1 1 A 58 58 SER H H 58 8.429 9.018 -0.589 1
1 685 . 11 1 1 A 58 58 SER HA H 58 4.080 4.097 -0.017 1
1 688 . 11 1 1 A 58 58 SER C C 58 177.399 175.516 1.883 1
1 689 . 11 1 1 A 58 58 SER CA C 58 61.499 61.164 0.335 1
1 690 . 11 1 1 A 58 58 SER CB C 58 65.069 62.627 2.442 1
1 691 . 11 1 1 A 58 58 SER N N 58 123.766 118.953 4.813 1
1 692 . 11 1 1 A 59 59 PHE H H 59 7.276 7.406 -0.130 1
1 693 . 11 1 1 A 59 59 PHE HA H 59 3.851 4.422 -0.571 1
1 701 . 11 1 1 A 59 59 PHE C C 59 178.929 178.327 0.602 1
1 702 . 11 1 1 A 59 59 PHE CA C 59 61.010 59.871 1.139 1
1 703 . 11 1 1 A 59 59 PHE CB C 59 38.129 39.895 -1.766 1
1 704 . 11 1 1 A 59 59 PHE N N 59 121.845 118.663 3.182 1
1 705 . 11 1 1 A 60 60 ASP H H 60 7.534 8.748 -1.214 1
1 706 . 11 1 1 A 60 60 ASP HA H 60 4.343 4.372 -0.029 1
1 709 . 11 1 1 A 60 60 ASP C C 60 177.295 177.882 -0.587 1
1 710 . 11 1 1 A 60 60 ASP CA C 60 56.921 56.952 -0.031 1
1 711 . 11 1 1 A 60 60 ASP CB C 60 40.298 39.997 0.301 1
1 712 . 11 1 1 A 60 60 ASP N N 60 119.015 119.981 -0.966 1
1 713 . 11 1 1 A 61 61 ARG H H 61 7.224 7.529 -0.305 1
1 714 . 11 1 1 A 61 61 ARG HA H 61 4.378 4.284 0.094 1
1 721 . 11 1 1 A 61 61 ARG C C 61 175.798 177.597 -1.799 1
1 722 . 11 1 1 A 61 61 ARG CA C 61 55.209 58.147 -2.938 1
1 723 . 11 1 1 A 61 61 ARG CB C 61 32.610 29.914 2.696 1
1 726 . 11 1 1 A 61 61 ARG N N 61 115.452 118.326 -2.874 1
1 727 . 11 1 1 A 62 62 ASN H H 62 7.946 7.919 0.027 1
1 728 . 11 1 1 A 62 62 ASN HA H 62 4.392 4.737 -0.345 1
1 733 . 11 1 1 A 62 62 ASN C C 62 173.776 175.165 -1.389 1
1 734 . 11 1 1 A 62 62 ASN CA C 62 54.269 54.865 -0.596 1
1 735 . 11 1 1 A 62 62 ASN CB C 62 38.597 40.017 -1.420 1
1 737 . 11 1 1 A 62 62 ASN N N 62 115.196 117.949 -2.753 1
1 739 . 11 1 1 A 63 63 VAL H H 63 7.278 7.653 -0.375 1
1 740 . 11 1 1 A 63 63 VAL HA H 63 4.628 4.574 0.054 1
1 748 . 11 1 1 A 63 63 VAL CA C 63 62.601 58.664 3.937 1
1 749 . 11 1 1 A 63 63 VAL CB C 63 35.186 34.379 0.807 1
1 752 . 11 1 1 A 63 63 VAL N N 63 115.155 116.856 -1.701 1
1 753 . 11 1 1 A 64 64 PRO HA H 64 4.516 4.653 -0.137 1
1 760 . 11 1 1 A 64 64 PRO C C 64 174.254 175.812 -1.558 1
1 761 . 11 1 1 A 64 64 PRO CA C 64 62.601 62.344 0.257 1
1 762 . 11 1 1 A 64 64 PRO CB C 64 31.977 32.838 -0.861 1
1 765 . 11 1 1 A 65 65 PHE H H 65 9.109 8.477 0.632 1
1 766 . 11 1 1 A 65 65 PHE HA H 65 4.821 5.063 -0.242 1
1 774 . 11 1 1 A 65 65 PHE C C 65 173.320 174.515 -1.195 1
1 775 . 11 1 1 A 65 65 PHE CA C 65 57.292 57.217 0.075 1
1 776 . 11 1 1 A 65 65 PHE CB C 65 42.894 42.061 0.833 1
1 777 . 11 1 1 A 65 65 PHE N N 65 123.469 122.331 1.138 1
1 778 . 11 1 1 A 66 66 LYS H H 66 7.474 8.429 -0.955 1
1 779 . 11 1 1 A 66 66 LYS HA H 66 5.378 5.375 0.003 1
1 788 . 11 1 1 A 66 66 LYS C C 66 175.026 174.986 0.040 1
1 789 . 11 1 1 A 66 66 LYS CA C 66 53.876 54.412 -0.536 1
1 790 . 11 1 1 A 66 66 LYS CB C 66 35.471 36.069 -0.598 1
1 794 . 11 1 1 A 66 66 LYS N N 66 125.548 121.937 3.611 1
1 795 . 11 1 1 A 67 67 PHE H H 67 8.114 8.309 -0.195 1
1 796 . 11 1 1 A 67 67 PHE HA H 67 4.469 5.434 -0.965 1
1 804 . 11 1 1 A 67 67 PHE C C 67 172.049 172.580 -0.531 1
1 805 . 11 1 1 A 67 67 PHE CA C 67 55.662 55.343 0.319 1
1 806 . 11 1 1 A 67 67 PHE CB C 67 40.087 41.920 -1.833 1
1 807 . 11 1 1 A 67 67 PHE N N 67 115.419 117.085 -1.666 1
1 808 . 11 1 1 A 68 68 HIS H H 68 8.983 9.456 -0.473 1
1 809 . 11 1 1 A 68 68 HIS HA H 68 5.482 5.484 -0.002 1
1 812 . 11 1 1 A 68 68 HIS C C 68 174.742 175.090 -0.348 1
1 813 . 11 1 1 A 68 68 HIS CA C 68 55.348 54.323 1.025 1
1 814 . 11 1 1 A 68 68 HIS CB C 68 28.470 32.365 -3.895 1
1 815 . 11 1 1 A 68 68 HIS N N 68 118.421 116.961 1.460 1
1 816 . 11 1 1 A 69 69 LEU H H 69 8.317 8.606 -0.289 1
1 817 . 11 1 1 A 69 69 LEU HA H 69 4.016 4.342 -0.326 1
1 827 . 11 1 1 A 69 69 LEU CA C 69 56.060 56.086 -0.026 1
1 828 . 11 1 1 A 69 69 LEU CB C 69 42.903 42.133 0.770 1
1 832 . 11 1 1 A 69 69 LEU N N 69 126.736 124.808 1.928 1
1 833 . 11 1 1 A 70 70 GLU H H 70 9.618 9.147 0.471 1
1 834 . 11 1 1 A 70 70 GLU HA H 70 3.847 4.173 -0.326 1
1 839 . 11 1 1 A 70 70 GLU C C 70 174.818 177.394 -2.576 1
1 840 . 11 1 1 A 70 70 GLU CA C 70 58.625 57.683 0.942 1
1 841 . 11 1 1 A 70 70 GLU CB C 70 27.456 29.354 -1.898 1
1 843 . 11 1 1 A 70 70 GLU N N 70 124.954 126.362 -1.408 1
1 844 . 11 1 1 A 71 71 GLN H H 71 8.248 7.878 0.370 1
1 845 . 11 1 1 A 71 71 GLN HA H 71 4.678 4.322 0.356 1
1 852 . 11 1 1 A 71 71 GLN CA C 71 54.218 55.217 -0.999 1
1 853 . 11 1 1 A 71 71 GLN CB C 71 30.422 27.952 2.470 1
1 856 . 11 1 1 A 71 71 GLN N N 71 114.858 119.458 -4.600 1
1 858 . 11 1 1 A 72 72 GLY H H 72 8.362 7.947 0.415 1
1 859 . 11 1 1 A 72 72 GLY HA2 H 72 4.145 4.006 0.139 1
1 860 . 11 1 1 A 72 72 GLY HA3 H 72 4.059 4.015 0.044 1
1 861 . 11 1 1 A 72 72 GLY C C 72 175.783 175.393 0.390 1
1 862 . 11 1 1 A 72 72 GLY CA C 72 46.838 45.665 1.173 1
1 863 . 11 1 1 A 72 72 GLY N N 72 110.404 109.359 1.045 1
1 864 . 11 1 1 A 73 73 GLU H H 73 9.085 8.318 0.767 1
1 865 . 11 1 1 A 73 73 GLU HA H 73 4.187 4.335 -0.148 1
1 870 . 11 1 1 A 73 73 GLU C C 73 175.522 176.455 -0.933 1
1 871 . 11 1 1 A 73 73 GLU CA C 73 57.443 57.450 -0.007 1
1 872 . 11 1 1 A 73 73 GLU CB C 73 31.378 30.285 1.093 1
1 874 . 11 1 1 A 73 73 GLU N N 73 118.421 118.147 0.274 1
1 875 . 11 1 1 A 74 74 VAL H H 74 6.862 7.567 -0.705 1
1 876 . 11 1 1 A 74 74 VAL HA H 74 4.281 4.244 0.037 1
1 884 . 11 1 1 A 74 74 VAL C C 74 175.773 175.458 0.315 1
1 885 . 11 1 1 A 74 74 VAL CA C 74 57.468 61.107 -3.639 1
1 886 . 11 1 1 A 74 74 VAL CB C 74 36.344 33.280 3.064 1
1 889 . 11 1 1 A 74 74 VAL N N 74 108.919 116.215 -7.296 1
1 890 . 11 1 1 A 75 75 ILE H H 75 7.462 9.075 -1.613 1
1 891 . 11 1 1 A 75 75 ILE HA H 75 3.844 4.214 -0.370 1
1 901 . 11 1 1 A 75 75 ILE C C 75 177.618 177.340 0.278 1
1 902 . 11 1 1 A 75 75 ILE CA C 75 62.213 62.147 0.066 1
1 903 . 11 1 1 A 75 75 ILE CB C 75 37.337 38.111 -0.774 1
1 907 . 11 1 1 A 75 75 ILE N N 75 113.373 123.608 -10.235 1
1 908 . 11 1 1 A 76 76 LYS H H 76 9.047 8.201 0.846 1
1 909 . 11 1 1 A 76 76 LYS HA H 76 4.282 4.409 -0.127 1
1 918 . 11 1 1 A 76 76 LYS C C 76 180.009 178.656 1.353 1
1 919 . 11 1 1 A 76 76 LYS CA C 76 59.482 57.266 2.216 1
1 920 . 11 1 1 A 76 76 LYS CB C 76 32.740 33.754 -1.014 1
1 924 . 11 1 1 A 76 76 LYS N N 76 124.954 121.155 3.799 1
1 925 . 11 1 1 A 77 77 GLY H H 77 9.775 8.154 1.621 1
1 926 . 11 1 1 A 77 77 GLY HA2 H 77 3.786 3.318 0.468 1
1 927 . 11 1 1 A 77 77 GLY HA3 H 77 3.618 3.347 0.271 1
1 928 . 11 1 1 A 77 77 GLY C C 77 175.261 176.487 -1.226 1
1 929 . 11 1 1 A 77 77 GLY CA C 77 47.402 47.139 0.263 1
1 930 . 11 1 1 A 77 77 GLY N N 77 101.199 106.752 -5.553 1
1 931 . 11 1 1 A 78 78 TRP H H 78 7.817 7.949 -0.132 1
1 932 . 11 1 1 A 78 78 TRP HA H 78 4.017 4.827 -0.810 1
1 940 . 11 1 1 A 78 78 TRP C C 78 177.610 178.109 -0.499 1
1 941 . 11 1 1 A 78 78 TRP CA C 78 61.524 60.114 1.410 1
1 942 . 11 1 1 A 78 78 TRP CB C 78 28.655 29.551 -0.896 1
1 943 . 11 1 1 A 78 78 TRP N N 78 120.203 122.316 -2.113 1
1 944 . 11 1 1 A 79 79 ASP H H 79 6.967 8.312 -1.345 1
1 945 . 11 1 1 A 79 79 ASP HA H 79 4.738 4.434 0.304 1
1 948 . 11 1 1 A 79 79 ASP C C 79 179.125 178.957 0.168 1
1 949 . 11 1 1 A 79 79 ASP CA C 79 58.492 57.669 0.823 1
1 950 . 11 1 1 A 79 79 ASP CB C 79 41.181 41.757 -0.576 1
1 951 . 11 1 1 A 79 79 ASP N N 79 121.688 119.806 1.882 1
1 952 . 11 1 1 A 80 80 ILE H H 80 8.173 7.806 0.367 1
1 953 . 11 1 1 A 80 80 ILE HA H 80 3.617 3.570 0.047 1
1 963 . 11 1 1 A 80 80 ILE C C 80 177.849 177.764 0.085 1
1 964 . 11 1 1 A 80 80 ILE CA C 80 64.758 65.285 -0.527 1
1 965 . 11 1 1 A 80 80 ILE CB C 80 39.198 38.270 0.928 1
1 969 . 11 1 1 A 80 80 ILE N N 80 118.125 118.632 -0.507 1
1 970 . 11 1 1 A 81 81 CYS H H 81 7.961 8.298 -0.337 1
1 971 . 11 1 1 A 81 81 CYS HA H 81 4.456 4.181 0.275 1
1 974 . 11 1 1 A 81 81 CYS C C 81 178.812 177.220 1.592 1
1 975 . 11 1 1 A 81 81 CYS CA C 81 63.059 62.188 0.871 1
1 976 . 11 1 1 A 81 81 CYS CB C 81 27.732 27.199 0.533 1
1 977 . 11 1 1 A 81 81 CYS N N 81 116.937 120.954 -4.017 1
1 978 . 11 1 1 A 82 82 VAL H H 82 9.434 7.921 1.513 1
1 979 . 11 1 1 A 82 82 VAL HA H 82 3.476 3.516 -0.040 1
1 987 . 11 1 1 A 82 82 VAL C C 82 176.456 177.556 -1.100 1
1 988 . 11 1 1 A 82 82 VAL CA C 82 66.977 66.768 0.209 1
1 989 . 11 1 1 A 82 82 VAL CB C 82 30.171 31.681 -1.510 1
1 992 . 11 1 1 A 82 82 VAL N N 82 121.688 121.897 -0.209 1
1 993 . 11 1 1 A 83 83 SER H H 83 7.541 7.755 -0.214 1
1 994 . 11 1 1 A 83 83 SER HA H 83 3.964 4.314 -0.350 1
1 997 . 11 1 1 A 83 83 SER C C 83 173.661 175.190 -1.529 1
1 998 . 11 1 1 A 83 83 SER CA C 83 61.551 59.995 1.556 1
1 999 . 11 1 1 A 83 83 SER CB C 83 63.239 62.852 0.387 1
1 1000 . 11 1 1 A 83 83 SER N N 83 111.889 116.084 -4.195 1
1 1001 . 11 1 1 A 84 84 SER H H 84 7.471 8.068 -0.597 1
1 1002 . 11 1 1 A 84 84 SER HA H 84 4.530 4.675 -0.145 1
1 1005 . 11 1 1 A 84 84 SER C C 84 174.314 174.160 0.154 1
1 1006 . 11 1 1 A 84 84 SER CA C 84 58.440 58.071 0.369 1
1 1007 . 11 1 1 A 84 84 SER CB C 84 65.929 63.366 2.563 1
1 1008 . 11 1 1 A 84 84 SER N N 84 114.264 115.119 -0.855 1
1 1009 . 11 1 1 A 85 85 MET H H 85 7.441 7.088 0.353 1
1 1010 . 11 1 1 A 85 85 MET HA H 85 4.262 4.819 -0.557 1
1 1015 . 11 1 1 A 85 85 MET C C 85 172.768 174.865 -2.097 1
1 1016 . 11 1 1 A 85 85 MET CA C 85 56.502 54.175 2.327 1
1 1017 . 11 1 1 A 85 85 MET CB C 85 36.378 35.158 1.220 1
1 1019 . 11 1 1 A 85 85 MET N N 85 124.657 120.742 3.915 1
1 1020 . 11 1 1 A 86 86 ARG H H 86 7.045 8.525 -1.480 1
1 1021 . 11 1 1 A 86 86 ARG HA H 86 4.879 4.502 0.377 1
1 1028 . 11 1 1 A 86 86 ARG C C 86 177.468 175.828 1.640 1
1 1029 . 11 1 1 A 86 86 ARG CA C 86 53.395 54.855 -1.460 1
1 1030 . 11 1 1 A 86 86 ARG CB C 86 33.244 33.577 -0.333 1
1 1033 . 11 1 1 A 86 86 ARG N N 86 114.264 120.315 -6.051 1
1 1034 . 11 1 1 A 87 87 LYS H H 87 8.818 8.745 0.073 1
1 1035 . 11 1 1 A 87 87 LYS HA H 87 3.554 3.843 -0.289 1
1 1044 . 11 1 1 A 87 87 LYS C C 87 175.382 177.021 -1.639 1
1 1045 . 11 1 1 A 87 87 LYS CA C 87 60.175 59.196 0.979 1
1 1046 . 11 1 1 A 87 87 LYS CB C 87 33.195 32.318 0.877 1
1 1050 . 11 1 1 A 87 87 LYS N N 87 121.391 125.649 -4.258 1
1 1051 . 11 1 1 A 88 88 ASN H H 88 8.943 7.864 1.079 1
1 1052 . 11 1 1 A 88 88 ASN HA H 88 4.291 4.858 -0.567 1
1 1057 . 11 1 1 A 88 88 ASN C C 88 174.124 173.624 0.500 1
1 1058 . 11 1 1 A 88 88 ASN CA C 88 56.703 52.835 3.868 1
1 1059 . 11 1 1 A 88 88 ASN CB C 88 36.677 39.262 -2.585 1
1 1060 . 11 1 1 A 88 88 ASN N N 88 116.640 114.336 2.304 1
1 1062 . 11 1 1 A 89 89 GLU H H 89 8.677 7.447 1.230 1
1 1063 . 11 1 1 A 89 89 GLU HA H 89 4.358 5.134 -0.776 1
1 1068 . 11 1 1 A 89 89 GLU C C 89 174.903 174.276 0.627 1
1 1069 . 11 1 1 A 89 89 GLU CA C 89 56.190 54.806 1.384 1
1 1070 . 11 1 1 A 89 89 GLU CB C 89 33.096 33.483 -0.387 1
1 1072 . 11 1 1 A 89 89 GLU N N 89 122.876 120.838 2.038 1
1 1073 . 11 1 1 A 90 90 LYS H H 90 8.580 8.972 -0.392 1
1 1074 . 11 1 1 A 90 90 LYS HA H 90 5.542 5.084 0.458 1
1 1083 . 11 1 1 A 90 90 LYS C C 90 175.593 174.953 0.640 1
1 1084 . 11 1 1 A 90 90 LYS CA C 90 54.210 55.459 -1.249 1
1 1085 . 11 1 1 A 90 90 LYS CB C 90 36.189 35.651 0.538 1
1 1089 . 11 1 1 A 90 90 LYS N N 90 123.469 125.677 -2.208 1
1 1090 . 11 1 1 A 91 91 CYS H H 91 9.673 8.160 1.513 1
1 1091 . 11 1 1 A 91 91 CYS HA H 91 5.524 5.096 0.428 1
1 1094 . 11 1 1 A 91 91 CYS C C 91 170.527 173.067 -2.540 1
1 1095 . 11 1 1 A 91 91 CYS CA C 91 54.690 57.588 -2.898 1
1 1096 . 11 1 1 A 91 91 CYS CB C 91 32.542 32.957 -0.415 1
1 1097 . 11 1 1 A 91 91 CYS N N 91 122.579 123.044 -0.465 1
1 1098 . 11 1 1 A 92 92 LEU H H 92 8.984 8.404 0.580 1
1 1099 . 11 1 1 A 92 92 LEU HA H 92 5.458 5.191 0.267 1
1 1109 . 11 1 1 A 92 92 LEU C C 92 175.596 175.187 0.409 1
1 1110 . 11 1 1 A 92 92 LEU CA C 92 53.413 53.572 -0.159 1
1 1111 . 11 1 1 A 92 92 LEU CB C 92 44.972 43.054 1.918 1
1 1115 . 11 1 1 A 92 92 LEU N N 92 122.282 122.569 -0.287 1
1 1116 . 11 1 1 A 93 93 VAL H H 93 10.107 9.193 0.914 1
1 1117 . 11 1 1 A 93 93 VAL HA H 93 5.506 4.940 0.566 1
1 1125 . 11 1 1 A 93 93 VAL C C 93 171.051 173.897 -2.846 1
1 1126 . 11 1 1 A 93 93 VAL CA C 93 58.200 59.722 -1.522 1
1 1127 . 11 1 1 A 93 93 VAL CB C 93 35.276 34.343 0.933 1
1 1130 . 11 1 1 A 93 93 VAL N N 93 126.224 125.367 0.857 1
1 1131 . 11 1 1 A 94 94 ARG H H 94 8.949 9.052 -0.103 1
1 1132 . 11 1 1 A 94 94 ARG HA H 94 5.133 4.766 0.367 1
1 1139 . 11 1 1 A 94 94 ARG C C 94 175.823 175.205 0.618 1
1 1140 . 11 1 1 A 94 94 ARG CA C 94 56.219 55.453 0.766 1
1 1141 . 11 1 1 A 94 94 ARG CB C 94 32.039 30.820 1.219 1
1 1144 . 11 1 1 A 94 94 ARG N N 94 130.596 127.026 3.570 1
1 1145 . 11 1 1 A 95 95 ILE H H 95 9.655 9.081 0.574 1
1 1146 . 11 1 1 A 95 95 ILE HA H 95 4.899 4.700 0.199 1
1 1156 . 11 1 1 A 95 95 ILE C C 95 175.215 175.260 -0.045 1
1 1157 . 11 1 1 A 95 95 ILE CA C 95 60.582 60.238 0.344 1
1 1158 . 11 1 1 A 95 95 ILE CB C 95 37.359 38.120 -0.761 1
1 1162 . 11 1 1 A 95 95 ILE N N 95 129.905 126.054 3.851 1
1 1163 . 11 1 1 A 96 96 GLU H H 96 9.213 8.853 0.360 1
1 1164 . 11 1 1 A 96 96 GLU HA H 96 4.320 4.368 -0.048 1
1 1169 . 11 1 1 A 96 96 GLU C C 96 177.897 177.542 0.355 1
1 1170 . 11 1 1 A 96 96 GLU CA C 96 57.568 55.272 2.296 1
1 1171 . 11 1 1 A 96 96 GLU CB C 96 29.676 30.840 -1.164 1
1 1173 . 11 1 1 A 96 96 GLU N N 96 126.439 128.871 -2.432 1
1 1174 . 11 1 1 A 97 97 SER H H 97 8.693 8.773 -0.080 1
1 1175 . 11 1 1 A 97 97 SER HA H 97 4.370 4.087 0.283 1
1 1178 . 11 1 1 A 97 97 SER C C 97 178.668 175.340 3.328 1
1 1179 . 11 1 1 A 97 97 SER CA C 97 62.800 61.755 1.045 1
1 1180 . 11 1 1 A 97 97 SER CB C 97 64.591 62.468 2.123 1
1 1181 . 11 1 1 A 97 97 SER N N 97 115.749 119.184 -3.435 1
1 1182 . 11 1 1 A 98 98 MET H H 98 8.937 8.160 0.777 1
1 1183 . 11 1 1 A 98 98 MET HA H 98 4.170 4.253 -0.083 1
1 1188 . 11 1 1 A 98 98 MET C C 98 179.250 176.269 2.981 1
1 1189 . 11 1 1 A 98 98 MET CA C 98 58.702 56.997 1.705 1
1 1190 . 11 1 1 A 98 98 MET CB C 98 31.047 31.849 -0.802 1
1 1192 . 11 1 1 A 98 98 MET N N 98 121.985 118.442 3.543 1
1 1193 . 11 1 1 A 99 99 TYR H H 99 7.927 7.798 0.129 1
1 1194 . 11 1 1 A 99 99 TYR HA H 99 4.435 4.607 -0.172 1
1 1201 . 11 1 1 A 99 99 TYR C C 99 173.125 175.856 -2.731 1
1 1202 . 11 1 1 A 99 99 TYR CA C 99 58.064 58.431 -0.367 1
1 1203 . 11 1 1 A 99 99 TYR CB C 99 39.570 38.788 0.782 1
1 1204 . 11 1 1 A 99 99 TYR N N 99 116.640 118.114 -1.474 1
1 1205 . 11 1 1 A 100 100 GLY H H 100 7.802 7.697 0.105 1
1 1206 . 11 1 1 A 100 100 GLY HA2 H 100 3.223 4.294 -1.071 1
1 1207 . 11 1 1 A 100 100 GLY HA3 H 100 4.309 4.295 0.014 1
1 1208 . 11 1 1 A 100 100 GLY C C 100 173.213 174.074 -0.861 1
1 1209 . 11 1 1 A 100 100 GLY CA C 100 45.062 44.735 0.327 1
1 1210 . 11 1 1 A 100 100 GLY N N 100 110.998 107.325 3.673 1
1 1211 . 11 1 1 A 101 101 TYR H H 101 9.407 8.989 0.418 1
1 1212 . 11 1 1 A 101 101 TYR HA H 101 4.443 4.563 -0.120 1
1 1219 . 11 1 1 A 101 101 TYR C C 101 176.014 176.276 -0.262 1
1 1220 . 11 1 1 A 101 101 TYR CA C 101 58.944 59.781 -0.837 1
1 1221 . 11 1 1 A 101 101 TYR CB C 101 37.732 39.594 -1.862 1
1 1222 . 11 1 1 A 101 101 TYR N N 101 126.439 118.841 7.598 1
1 1223 . 11 1 1 A 102 102 GLY H H 102 8.231 7.858 0.373 1
1 1224 . 11 1 1 A 102 102 GLY HA2 H 102 4.001 4.183 -0.182 1
1 1225 . 11 1 1 A 102 102 GLY HA3 H 102 3.715 4.195 -0.480 1
1 1226 . 11 1 1 A 102 102 GLY C C 102 175.685 173.825 1.860 1
1 1227 . 11 1 1 A 102 102 GLY CA C 102 46.447 43.868 2.579 1
1 1228 . 11 1 1 A 102 102 GLY N N 102 107.138 105.262 1.876 1
1 1229 . 11 1 1 A 103 103 ASP H H 103 8.983 9.013 -0.030 1
1 1230 . 11 1 1 A 103 103 ASP HA H 103 4.277 4.489 -0.212 1
1 1233 . 11 1 1 A 103 103 ASP C C 103 176.677 178.028 -1.351 1
1 1234 . 11 1 1 A 103 103 ASP CA C 103 56.352 55.547 0.805 1
1 1235 . 11 1 1 A 103 103 ASP CB C 103 40.640 40.163 0.477 1
1 1236 . 11 1 1 A 103 103 ASP N N 103 124.954 120.150 4.804 1
1 1237 . 11 1 1 A 104 104 GLU H H 104 8.552 7.895 0.657 1
1 1238 . 11 1 1 A 104 104 GLU HA H 104 4.139 4.040 0.099 1
1 1243 . 11 1 1 A 104 104 GLU C C 104 179.142 177.514 1.628 1
1 1244 . 11 1 1 A 104 104 GLU CA C 104 58.100 59.304 -1.204 1
1 1245 . 11 1 1 A 104 104 GLU CB C 104 30.076 29.634 0.442 1
1 1247 . 11 1 1 A 104 104 GLU N N 104 117.531 119.757 -2.226 1
1 1248 . 11 1 1 A 105 105 GLY H H 105 7.188 7.367 -0.179 1
1 1249 . 11 1 1 A 105 105 GLY HA2 H 105 3.137 4.070 -0.933 1
1 1250 . 11 1 1 A 105 105 GLY HA3 H 105 4.012 4.074 -0.062 1
1 1251 . 11 1 1 A 105 105 GLY C C 105 171.730 173.969 -2.239 1
1 1252 . 11 1 1 A 105 105 GLY CA C 105 44.214 45.956 -1.742 1
1 1253 . 11 1 1 A 105 105 GLY N N 105 104.168 106.133 -1.965 1
1 1254 . 11 1 1 A 106 106 CYS H H 106 9.026 8.190 0.836 1
1 1255 . 11 1 1 A 106 106 CYS HA H 106 4.253 4.443 -0.190 1
1 1258 . 11 1 1 A 106 106 CYS C C 106 173.438 174.220 -0.782 1
1 1259 . 11 1 1 A 106 106 CYS CA C 106 57.814 58.032 -0.218 1
1 1260 . 11 1 1 A 106 106 CYS CB C 106 26.162 27.124 -0.962 1
1 1261 . 11 1 1 A 106 106 CYS N N 106 121.949 119.365 2.584 1
1 1262 . 11 1 1 A 107 107 GLY H H 107 8.584 8.809 -0.225 1
1 1263 . 11 1 1 A 107 107 GLY HA2 H 107 3.706 4.162 -0.456 1
1 1264 . 11 1 1 A 107 107 GLY HA3 H 107 3.954 4.198 -0.244 1
1 1265 . 11 1 1 A 107 107 GLY C C 107 173.461 174.786 -1.325 1
1 1266 . 11 1 1 A 107 107 GLY CA C 107 45.258 46.158 -0.900 1
1 1267 . 11 1 1 A 107 107 GLY N N 107 114.561 114.554 0.007 1
1 1268 . 11 1 1 A 108 108 GLU H H 108 8.503 8.658 -0.155 1
1 1269 . 11 1 1 A 108 108 GLU HA H 108 4.051 3.824 0.227 1
1 1274 . 11 1 1 A 108 108 GLU C C 108 178.118 177.875 0.243 1
1 1275 . 11 1 1 A 108 108 GLU CA C 108 57.478 59.450 -1.972 1
1 1276 . 11 1 1 A 108 108 GLU CB C 108 29.835 29.427 0.408 1
1 1278 . 11 1 1 A 108 108 GLU N N 108 119.609 126.195 -6.586 1
1 1279 . 11 1 1 A 109 109 SER H H 109 8.082 8.021 0.061 1
1 1280 . 11 1 1 A 109 109 SER HA H 109 4.127 4.450 -0.323 1
1 1283 . 11 1 1 A 109 109 SER C C 109 173.569 175.320 -1.751 1
1 1284 . 11 1 1 A 109 109 SER CA C 109 60.141 60.049 0.092 1
1 1285 . 11 1 1 A 109 109 SER CB C 109 63.935 64.279 -0.344 1
1 1286 . 11 1 1 A 109 109 SER N N 109 112.186 111.845 0.341 1
1 1287 . 11 1 1 A 110 110 ILE H H 110 6.570 7.896 -1.326 1
1 1288 . 11 1 1 A 110 110 ILE HA H 110 4.235 4.536 -0.301 1
1 1298 . 11 1 1 A 110 110 ILE CA C 110 58.031 58.405 -0.374 1
1 1299 . 11 1 1 A 110 110 ILE CB C 110 39.086 37.937 1.149 1
1 1303 . 11 1 1 A 110 110 ILE N N 110 116.937 115.165 1.772 1
1 1304 . 11 1 1 A 111 111 PRO HA H 111 4.510 4.784 -0.274 1
1 1311 . 11 1 1 A 111 111 PRO C C 111 179.076 175.815 3.261 1
1 1312 . 11 1 1 A 111 111 PRO CA C 111 61.703 63.067 -1.364 1
1 1313 . 11 1 1 A 111 111 PRO CB C 111 32.729 30.169 2.560 1
1 1316 . 11 1 1 A 112 112 GLY H H 112 9.018 8.001 1.017 1
1 1317 . 11 1 1 A 112 112 GLY HA2 H 112 3.461 3.953 -0.492 1
1 1318 . 11 1 1 A 112 112 GLY HA3 H 112 3.714 3.959 -0.245 1
1 1319 . 11 1 1 A 112 112 GLY C C 112 172.723 173.340 -0.617 1
1 1320 . 11 1 1 A 112 112 GLY CA C 112 46.262 46.515 -0.253 1
1 1321 . 11 1 1 A 112 112 GLY N N 112 111.592 109.879 1.713 1
1 1322 . 11 1 1 A 113 113 ASN H H 113 8.381 8.254 0.127 1
1 1323 . 11 1 1 A 113 113 ASN HA H 113 4.278 4.300 -0.022 1
1 1328 . 11 1 1 A 113 113 ASN C C 113 174.643 173.864 0.779 1
1 1329 . 11 1 1 A 113 113 ASN CA C 113 54.388 54.091 0.297 1
1 1330 . 11 1 1 A 113 113 ASN CB C 113 37.204 36.691 0.513 1
1 1331 . 11 1 1 A 113 113 ASN N N 113 116.937 112.273 4.664 1
1 1333 . 11 1 1 A 114 114 SER H H 114 7.617 7.646 -0.029 1
1 1334 . 11 1 1 A 114 114 SER HA H 114 4.517 5.138 -0.621 1
1 1337 . 11 1 1 A 114 114 SER C C 114 172.904 171.538 1.366 1
1 1338 . 11 1 1 A 114 114 SER CA C 114 59.864 57.773 2.091 1
1 1339 . 11 1 1 A 114 114 SER CB C 114 64.678 67.430 -2.752 1
1 1340 . 11 1 1 A 114 114 SER N N 114 113.077 112.912 0.165 1
1 1341 . 11 1 1 A 115 115 VAL H H 115 8.500 8.756 -0.256 1
1 1342 . 11 1 1 A 115 115 VAL HA H 115 4.341 5.095 -0.754 1
1 1350 . 11 1 1 A 115 115 VAL C C 115 176.075 174.184 1.891 1
1 1351 . 11 1 1 A 115 115 VAL CA C 115 62.705 60.051 2.654 1
1 1352 . 11 1 1 A 115 115 VAL CB C 115 31.546 33.992 -2.446 1
1 1355 . 11 1 1 A 115 115 VAL N N 115 124.360 122.054 2.306 1
1 1356 . 11 1 1 A 116 116 LEU H H 116 9.104 9.531 -0.427 1
1 1357 . 11 1 1 A 116 116 LEU HA H 116 5.002 4.885 0.117 1
1 1367 . 11 1 1 A 116 116 LEU C C 116 174.923 175.739 -0.816 1
1 1368 . 11 1 1 A 116 116 LEU CA C 116 53.123 53.414 -0.291 1
1 1369 . 11 1 1 A 116 116 LEU CB C 116 45.379 45.843 -0.464 1
1 1373 . 11 1 1 A 116 116 LEU N N 116 128.814 129.430 -0.616 1
1 1374 . 11 1 1 A 117 117 LEU H H 117 9.009 8.162 0.847 1
1 1375 . 11 1 1 A 117 117 LEU HA H 117 5.601 5.242 0.359 1
1 1385 . 11 1 1 A 117 117 LEU C C 117 176.574 175.093 1.481 1
1 1386 . 11 1 1 A 117 117 LEU CA C 117 52.750 54.030 -1.280 1
1 1387 . 11 1 1 A 117 117 LEU CB C 117 44.693 45.247 -0.554 1
1 1391 . 11 1 1 A 117 117 LEU N N 117 121.391 120.964 0.427 1
1 1392 . 11 1 1 A 118 118 PHE H H 118 9.375 9.034 0.341 1
1 1393 . 11 1 1 A 118 118 PHE HA H 118 6.155 5.063 1.092 1
1 1401 . 11 1 1 A 118 118 PHE C C 118 176.518 175.631 0.887 1
1 1402 . 11 1 1 A 118 118 PHE CA C 118 55.411 56.143 -0.732 1
1 1403 . 11 1 1 A 118 118 PHE CB C 118 42.385 43.017 -0.632 1
1 1404 . 11 1 1 A 118 118 PHE N N 118 117.531 122.041 -4.510 1
1 1405 . 11 1 1 A 119 119 GLU H H 119 8.905 9.737 -0.832 1
1 1406 . 11 1 1 A 119 119 GLU HA H 119 5.604 4.776 0.828 1
1 1411 . 11 1 1 A 119 119 GLU C C 119 175.947 176.020 -0.073 1
1 1412 . 11 1 1 A 119 119 GLU CA C 119 60.489 56.946 3.543 1
1 1413 . 11 1 1 A 119 119 GLU CB C 119 31.189 30.589 0.600 1
1 1415 . 11 1 1 A 119 119 GLU N N 119 122.876 122.533 0.343 1
1 1416 . 11 1 1 A 120 120 ILE H H 120 8.912 9.159 -0.247 1
1 1417 . 11 1 1 A 120 120 ILE HA H 120 4.965 4.826 0.139 1
1 1427 . 11 1 1 A 120 120 ILE C C 120 173.341 174.336 -0.995 1
1 1428 . 11 1 1 A 120 120 ILE CA C 120 60.568 60.325 0.243 1
1 1429 . 11 1 1 A 120 120 ILE CB C 120 41.927 38.708 3.219 1
1 1433 . 11 1 1 A 120 120 ILE N N 120 123.000 126.068 -3.068 1
1 1434 . 11 1 1 A 121 121 GLU H H 121 9.074 9.129 -0.055 1
1 1435 . 11 1 1 A 121 121 GLU HA H 121 5.445 5.117 0.328 1
1 1440 . 11 1 1 A 121 121 GLU C C 121 175.254 175.066 0.188 1
1 1441 . 11 1 1 A 121 121 GLU CA C 121 53.941 54.634 -0.693 1
1 1442 . 11 1 1 A 121 121 GLU CB C 121 33.897 32.900 0.997 1
1 1444 . 11 1 1 A 121 121 GLU N N 121 128.221 129.141 -0.920 1
1 1445 . 11 1 1 A 122 122 LEU H H 122 8.112 8.778 -0.666 1
1 1446 . 11 1 1 A 122 122 LEU HA H 122 4.680 4.453 0.227 1
1 1456 . 11 1 1 A 122 122 LEU C C 122 174.472 176.813 -2.341 1
1 1457 . 11 1 1 A 122 122 LEU CA C 122 54.403 54.932 -0.529 1
1 1458 . 11 1 1 A 122 122 LEU CB C 122 40.796 42.211 -1.415 1
1 1462 . 11 1 1 A 122 122 LEU N N 122 127.033 128.223 -1.190 1
1 1463 . 11 1 1 A 123 123 LEU H H 123 8.704 8.716 -0.012 1
1 1464 . 11 1 1 A 123 123 LEU HA H 123 4.385 4.683 -0.298 1
1 1474 . 11 1 1 A 123 123 LEU C C 123 177.614 177.066 0.548 1
1 1475 . 11 1 1 A 123 123 LEU CA C 123 57.095 54.611 2.484 1
1 1476 . 11 1 1 A 123 123 LEU CB C 123 42.226 43.655 -1.429 1
1 1480 . 11 1 1 A 123 123 LEU N N 123 128.814 123.452 5.362 1
1 1481 . 11 1 1 A 124 124 SER H H 124 7.602 7.547 0.055 1
1 1482 . 11 1 1 A 124 124 SER HA H 124 4.161 5.077 -0.916 1
1 1485 . 11 1 1 A 124 124 SER C C 124 171.375 172.856 -1.481 1
1 1486 . 11 1 1 A 124 124 SER CA C 124 57.545 57.708 -0.163 1
1 1487 . 11 1 1 A 124 124 SER CB C 124 63.359 66.558 -3.199 1
1 1488 . 11 1 1 A 124 124 SER N N 124 105.653 114.214 -8.561 1
1 1489 . 11 1 1 A 125 125 PHE H H 125 7.818 8.845 -1.027 1
1 1490 . 11 1 1 A 125 125 PHE HA H 125 5.451 5.296 0.155 1
1 1498 . 11 1 1 A 125 125 PHE C C 125 173.154 173.204 -0.050 1
1 1499 . 11 1 1 A 125 125 PHE CA C 125 56.463 56.092 0.371 1
1 1500 . 11 1 1 A 125 125 PHE CB C 125 42.301 41.669 0.632 1
1 1501 . 11 1 1 A 125 125 PHE N N 125 113.373 120.683 -7.310 1
1 1502 . 11 1 1 A 126 126 ARG H H 126 8.934 8.902 0.032 1
1 1503 . 11 1 1 A 126 126 ARG HA H 126 4.693 4.782 -0.089 1
1 1510 . 11 1 1 A 126 126 ARG C C 126 174.013 173.944 0.069 1
1 1511 . 11 1 1 A 126 126 ARG CA C 126 54.654 54.755 -0.101 1
1 1512 . 11 1 1 A 126 126 ARG CB C 126 33.064 34.171 -1.107 1
1 1515 . 11 1 1 A 126 126 ARG N N 126 116.046 118.139 -2.093 1
1 1516 . 11 1 1 A 127 127 GLU H H 127 8.665 8.607 0.058 1
1 1517 . 11 1 1 A 127 127 GLU HA H 127 4.436 5.110 -0.674 1
1 1522 . 11 1 1 A 127 127 GLU C C 127 176.050 175.693 0.357 1
1 1523 . 11 1 1 A 127 127 GLU CA C 127 55.552 54.842 0.710 1
1 1524 . 11 1 1 A 127 127 GLU CB C 127 30.600 33.010 -2.410 1
1 1 . 12 1 1 A 2 2 THR HA H 2 4.479 4.357 0.122 1
1 6 . 12 1 1 A 2 2 THR C C 2 174.348 175.343 -0.995 1
1 7 . 12 1 1 A 2 2 THR CA C 2 61.838 62.150 -0.312 1
1 8 . 12 1 1 A 2 2 THR CB C 2 69.919 69.444 0.475 1
1 10 . 12 1 1 A 3 3 THR H H 3 8.289 8.953 -0.664 1
1 11 . 12 1 1 A 3 3 THR HA H 3 4.282 4.486 -0.204 1
1 16 . 12 1 1 A 3 3 THR C C 3 174.404 173.437 0.967 1
1 17 . 12 1 1 A 3 3 THR CA C 3 62.140 61.921 0.219 1
1 18 . 12 1 1 A 3 3 THR CB C 3 69.658 69.191 0.467 1
1 20 . 12 1 1 A 3 3 THR N N 3 116.640 116.057 0.583 1
1 21 . 12 1 1 A 4 4 GLU H H 4 8.567 7.564 1.003 1
1 22 . 12 1 1 A 4 4 GLU HA H 4 4.156 4.952 -0.796 1
1 27 . 12 1 1 A 4 4 GLU C C 4 176.216 175.156 1.060 1
1 28 . 12 1 1 A 4 4 GLU CA C 4 56.929 54.471 2.458 1
1 29 . 12 1 1 A 4 4 GLU CB C 4 29.821 33.317 -3.496 1
1 31 . 12 1 1 A 4 4 GLU N N 4 123.469 123.174 0.295 1
1 32 . 12 1 1 A 5 5 GLN H H 5 8.222 8.860 -0.638 1
1 33 . 12 1 1 A 5 5 GLN HA H 5 4.167 4.496 -0.329 1
1 40 . 12 1 1 A 5 5 GLN C C 5 175.216 176.496 -1.280 1
1 41 . 12 1 1 A 5 5 GLN CA C 5 55.674 55.105 0.569 1
1 42 . 12 1 1 A 5 5 GLN CB C 5 29.553 30.008 -0.455 1
1 45 . 12 1 1 A 5 5 GLN N N 5 120.797 124.352 -3.555 1
1 47 . 12 1 1 A 6 6 GLU H H 6 8.171 8.253 -0.082 1
1 48 . 12 1 1 A 6 6 GLU HA H 6 4.080 4.399 -0.319 1
1 53 . 12 1 1 A 6 6 GLU C C 6 175.870 175.977 -0.107 1
1 54 . 12 1 1 A 6 6 GLU CA C 6 56.400 55.539 0.861 1
1 55 . 12 1 1 A 6 6 GLU CB C 6 30.335 29.500 0.835 1
1 57 . 12 1 1 A 6 6 GLU N N 6 122.100 118.751 3.349 1
1 58 . 12 1 1 A 7 7 PHE H H 7 8.051 7.606 0.445 1
1 59 . 12 1 1 A 7 7 PHE HA H 7 4.710 4.891 -0.181 1
1 67 . 12 1 1 A 7 7 PHE C C 7 175.461 174.401 1.060 1
1 68 . 12 1 1 A 7 7 PHE CA C 7 56.825 57.395 -0.570 1
1 69 . 12 1 1 A 7 7 PHE CB C 7 39.812 41.409 -1.597 1
1 70 . 12 1 1 A 7 7 PHE N N 7 120.500 120.480 0.020 1
1 71 . 12 1 1 A 8 8 GLU H H 8 8.626 9.044 -0.418 1
1 72 . 12 1 1 A 8 8 GLU HA H 8 4.193 5.161 -0.968 1
1 77 . 12 1 1 A 8 8 GLU C C 8 176.141 175.080 1.061 1
1 78 . 12 1 1 A 8 8 GLU CA C 8 56.932 54.365 2.567 1
1 79 . 12 1 1 A 8 8 GLU CB C 8 30.794 33.301 -2.507 1
1 81 . 12 1 1 A 8 8 GLU N N 8 123.469 121.105 2.364 1
1 82 . 12 1 1 A 9 9 LYS H H 9 8.396 8.502 -0.106 1
1 83 . 12 1 1 A 9 9 LYS HA H 9 5.100 4.741 0.359 1
1 92 . 12 1 1 A 9 9 LYS C C 9 176.168 176.260 -0.092 1
1 93 . 12 1 1 A 9 9 LYS CA C 9 55.428 55.596 -0.168 1
1 94 . 12 1 1 A 9 9 LYS CB C 9 34.214 34.258 -0.044 1
1 98 . 12 1 1 A 9 9 LYS N N 9 124.954 122.373 2.581 1
1 99 . 12 1 1 A 10 10 VAL H H 10 9.445 8.443 1.002 1
1 100 . 12 1 1 A 10 10 VAL HA H 10 4.278 4.485 -0.207 1
1 108 . 12 1 1 A 10 10 VAL C C 10 174.967 174.944 0.023 1
1 109 . 12 1 1 A 10 10 VAL CA C 10 60.951 61.674 -0.723 1
1 110 . 12 1 1 A 10 10 VAL CB C 10 34.681 32.753 1.928 1
1 113 . 12 1 1 A 10 10 VAL N N 10 124.360 121.883 2.477 1
1 114 . 12 1 1 A 11 11 GLU H H 11 9.021 8.864 0.157 1
1 115 . 12 1 1 A 11 11 GLU HA H 11 4.369 4.585 -0.216 1
1 120 . 12 1 1 A 11 11 GLU C C 11 174.797 176.558 -1.761 1
1 121 . 12 1 1 A 11 11 GLU CA C 11 56.728 55.713 1.015 1
1 122 . 12 1 1 A 11 11 GLU CB C 11 28.655 29.042 -0.387 1
1 124 . 12 1 1 A 11 11 GLU N N 11 127.924 126.975 0.949 1
1 125 . 12 1 1 A 12 12 LEU H H 12 8.396 8.710 -0.314 1
1 126 . 12 1 1 A 12 12 LEU HA H 12 4.311 3.875 0.436 1
1 136 . 12 1 1 A 12 12 LEU C C 12 176.600 175.622 0.978 1
1 137 . 12 1 1 A 12 12 LEU CA C 12 55.292 55.795 -0.503 1
1 138 . 12 1 1 A 12 12 LEU CB C 12 42.624 40.656 1.968 1
1 142 . 12 1 1 A 12 12 LEU N N 12 124.954 123.104 1.850 1
1 143 . 12 1 1 A 13 13 THR H H 13 7.328 7.984 -0.656 1
1 144 . 12 1 1 A 13 13 THR HA H 13 4.530 4.323 0.207 1
1 149 . 12 1 1 A 13 13 THR C C 13 175.180 176.138 -0.958 1
1 150 . 12 1 1 A 13 13 THR CA C 13 59.603 62.456 -2.853 1
1 151 . 12 1 1 A 13 13 THR CB C 13 70.742 69.314 1.428 1
1 153 . 12 1 1 A 13 13 THR N N 13 106.841 112.869 -6.028 1
1 154 . 12 1 1 A 14 14 ALA H H 14 8.689 8.893 -0.204 1
1 155 . 12 1 1 A 14 14 ALA HA H 14 4.247 4.102 0.145 1
1 159 . 12 1 1 A 14 14 ALA C C 14 177.522 177.814 -0.292 1
1 160 . 12 1 1 A 14 14 ALA CA C 14 53.875 53.952 -0.077 1
1 161 . 12 1 1 A 14 14 ALA CB C 14 17.920 18.675 -0.755 1
1 162 . 12 1 1 A 14 14 ALA N N 14 123.733 129.840 -6.107 1
1 163 . 12 1 1 A 15 15 ASP H H 15 7.516 7.531 -0.015 1
1 164 . 12 1 1 A 15 15 ASP HA H 15 4.518 4.786 -0.268 1
1 167 . 12 1 1 A 15 15 ASP C C 15 177.402 176.206 1.196 1
1 168 . 12 1 1 A 15 15 ASP CA C 15 52.635 53.561 -0.926 1
1 169 . 12 1 1 A 15 15 ASP CB C 15 40.912 41.202 -0.290 1
1 170 . 12 1 1 A 15 15 ASP N N 15 113.967 117.581 -3.614 1
1 171 . 12 1 1 A 16 16 GLY H H 16 7.986 7.847 0.139 1
1 172 . 12 1 1 A 16 16 GLY HA2 H 16 4.080 4.007 0.073 1
1 173 . 12 1 1 A 16 16 GLY HA3 H 16 3.529 4.020 -0.491 1
1 174 . 12 1 1 A 16 16 GLY C C 16 175.233 175.317 -0.084 1
1 175 . 12 1 1 A 16 16 GLY CA C 16 45.798 44.933 0.865 1
1 176 . 12 1 1 A 16 16 GLY N N 16 108.919 106.711 2.208 1
1 177 . 12 1 1 A 17 17 GLY H H 17 8.681 8.514 0.167 1
1 178 . 12 1 1 A 17 17 GLY HA2 H 17 4.513 3.936 0.577 1
1 179 . 12 1 1 A 17 17 GLY HA3 H 17 4.513 3.956 0.557 1
1 180 . 12 1 1 A 17 17 GLY C C 17 172.684 174.218 -1.534 1
1 181 . 12 1 1 A 17 17 GLY CA C 17 46.672 46.871 -0.199 1
1 182 . 12 1 1 A 17 17 GLY N N 17 108.663 109.245 -0.582 1
1 183 . 12 1 1 A 18 18 VAL H H 18 6.903 7.479 -0.576 1
1 184 . 12 1 1 A 18 18 VAL HA H 18 4.855 4.425 0.430 1
1 192 . 12 1 1 A 18 18 VAL C C 18 174.737 174.528 0.209 1
1 193 . 12 1 1 A 18 18 VAL CA C 18 62.035 60.386 1.649 1
1 194 . 12 1 1 A 18 18 VAL CB C 18 33.315 35.317 -2.002 1
1 197 . 12 1 1 A 18 18 VAL N N 18 117.234 118.547 -1.313 1
1 198 . 12 1 1 A 19 19 ILE H H 19 8.243 8.430 -0.187 1
1 199 . 12 1 1 A 19 19 ILE HA H 19 4.665 4.479 0.186 1
1 209 . 12 1 1 A 19 19 ILE C C 19 174.360 175.360 -1.000 1
1 210 . 12 1 1 A 19 19 ILE CA C 19 60.736 60.764 -0.028 1
1 211 . 12 1 1 A 19 19 ILE CB C 19 41.856 36.976 4.880 1
1 215 . 12 1 1 A 19 19 ILE N N 19 126.439 127.172 -0.733 1
1 216 . 12 1 1 A 20 20 LYS H H 20 9.345 8.835 0.510 1
1 217 . 12 1 1 A 20 20 LYS HA H 20 5.296 4.965 0.331 1
1 226 . 12 1 1 A 20 20 LYS C C 20 173.618 174.521 -0.903 1
1 227 . 12 1 1 A 20 20 LYS CA C 20 54.842 54.530 0.312 1
1 228 . 12 1 1 A 20 20 LYS CB C 20 36.261 35.886 0.375 1
1 232 . 12 1 1 A 20 20 LYS N N 20 129.408 124.568 4.840 1
1 233 . 12 1 1 A 21 21 THR H H 21 9.597 9.262 0.335 1
1 234 . 12 1 1 A 21 21 THR HA H 21 4.923 4.819 0.104 1
1 239 . 12 1 1 A 21 21 THR C C 21 174.648 173.410 1.238 1
1 240 . 12 1 1 A 21 21 THR CA C 21 61.703 61.669 0.034 1
1 241 . 12 1 1 A 21 21 THR CB C 21 70.230 71.058 -0.828 1
1 243 . 12 1 1 A 21 21 THR N N 21 123.469 116.655 6.814 1
1 244 . 12 1 1 A 22 22 ILE H H 22 9.248 8.765 0.483 1
1 245 . 12 1 1 A 22 22 ILE HA H 22 3.637 4.157 -0.520 1
1 255 . 12 1 1 A 22 22 ILE C C 22 174.348 174.874 -0.526 1
1 256 . 12 1 1 A 22 22 ILE CA C 22 64.258 61.865 2.393 1
1 257 . 12 1 1 A 22 22 ILE CB C 22 37.551 38.469 -0.918 1
1 261 . 12 1 1 A 22 22 ILE N N 22 128.517 127.318 1.199 1
1 262 . 12 1 1 A 23 23 LEU H H 23 8.498 8.670 -0.172 1
1 263 . 12 1 1 A 23 23 LEU HA H 23 4.180 3.956 0.224 1
1 273 . 12 1 1 A 23 23 LEU C C 23 177.521 176.248 1.273 1
1 274 . 12 1 1 A 23 23 LEU CA C 23 55.460 55.737 -0.277 1
1 275 . 12 1 1 A 23 23 LEU CB C 23 42.239 42.851 -0.612 1
1 279 . 12 1 1 A 23 23 LEU N N 23 128.517 129.365 -0.848 1
1 280 . 12 1 1 A 24 24 LYS H H 24 8.020 8.145 -0.125 1
1 281 . 12 1 1 A 24 24 LYS HA H 24 4.392 4.502 -0.110 1
1 290 . 12 1 1 A 24 24 LYS C C 24 174.465 175.218 -0.753 1
1 291 . 12 1 1 A 24 24 LYS CA C 24 55.848 54.959 0.889 1
1 292 . 12 1 1 A 24 24 LYS CB C 24 35.692 33.434 2.258 1
1 296 . 12 1 1 A 24 24 LYS N N 24 120.797 117.753 3.044 1
1 297 . 12 1 1 A 25 25 LYS H H 25 8.657 8.652 0.005 1
1 298 . 12 1 1 A 25 25 LYS HA H 25 4.178 4.494 -0.316 1
1 307 . 12 1 1 A 25 25 LYS C C 25 177.616 177.052 0.564 1
1 308 . 12 1 1 A 25 25 LYS CA C 25 57.218 56.347 0.871 1
1 309 . 12 1 1 A 25 25 LYS CB C 25 32.846 33.335 -0.489 1
1 313 . 12 1 1 A 25 25 LYS N N 25 126.439 128.473 -2.034 1
1 314 . 12 1 1 A 26 26 GLY H H 26 9.728 9.161 0.567 1
1 315 . 12 1 1 A 26 26 GLY HA2 H 26 3.408 4.049 -0.641 1
1 316 . 12 1 1 A 26 26 GLY HA3 H 26 4.120 4.052 0.068 1
1 317 . 12 1 1 A 26 26 GLY C C 26 173.278 174.625 -1.347 1
1 318 . 12 1 1 A 26 26 GLY CA C 26 43.709 45.282 -1.573 1
1 319 . 12 1 1 A 26 26 GLY N N 26 110.404 113.519 -3.115 1
1 320 . 12 1 1 A 27 27 ASP H H 27 8.550 8.618 -0.068 1
1 321 . 12 1 1 A 27 27 ASP HA H 27 4.401 4.433 -0.032 1
1 324 . 12 1 1 A 27 27 ASP C C 27 175.993 176.446 -0.453 1
1 325 . 12 1 1 A 27 27 ASP CA C 27 55.105 56.883 -1.778 1
1 326 . 12 1 1 A 27 27 ASP CB C 27 41.688 41.379 0.309 1
1 327 . 12 1 1 A 27 27 ASP N N 27 121.391 122.427 -1.036 1
1 328 . 12 1 1 A 28 28 GLU H H 28 8.419 7.710 0.709 1
1 329 . 12 1 1 A 28 28 GLU HA H 28 4.063 4.634 -0.571 1
1 334 . 12 1 1 A 28 28 GLU C C 28 176.146 175.426 0.720 1
1 335 . 12 1 1 A 28 28 GLU CA C 28 57.076 54.993 2.083 1
1 336 . 12 1 1 A 28 28 GLU CB C 28 30.774 32.909 -2.135 1
1 338 . 12 1 1 A 28 28 GLU N N 28 120.203 113.441 6.762 1
1 339 . 12 1 1 A 29 29 GLY H H 29 8.364 8.504 -0.140 1
1 340 . 12 1 1 A 29 29 GLY HA2 H 29 4.758 4.171 0.587 1
1 341 . 12 1 1 A 29 29 GLY HA3 H 29 4.584 4.177 0.407 1
1 342 . 12 1 1 A 29 29 GLY C C 29 175.976 175.033 0.943 1
1 343 . 12 1 1 A 29 29 GLY CA C 29 44.686 45.351 -0.665 1
1 344 . 12 1 1 A 29 29 GLY N N 29 110.404 107.526 2.878 1
1 345 . 12 1 1 A 30 30 GLU H H 30 8.867 8.224 0.643 1
1 346 . 12 1 1 A 30 30 GLU HA H 30 3.749 3.920 -0.171 1
1 351 . 12 1 1 A 30 30 GLU C C 30 177.872 178.350 -0.478 1
1 352 . 12 1 1 A 30 30 GLU CA C 30 59.045 59.216 -0.171 1
1 353 . 12 1 1 A 30 30 GLU CB C 30 29.030 29.876 -0.846 1
1 355 . 12 1 1 A 30 30 GLU N N 30 125.251 121.429 3.822 1
1 356 . 12 1 1 A 31 31 GLU H H 31 9.842 7.832 2.010 1
1 357 . 12 1 1 A 31 31 GLU HA H 31 4.312 4.248 0.064 1
1 362 . 12 1 1 A 31 31 GLU C C 31 176.330 176.807 -0.477 1
1 363 . 12 1 1 A 31 31 GLU CA C 31 57.437 58.567 -1.130 1
1 364 . 12 1 1 A 31 31 GLU CB C 31 28.040 29.935 -1.895 1
1 366 . 12 1 1 A 31 31 GLU N N 31 118.421 118.763 -0.342 1
1 367 . 12 1 1 A 32 32 ASN H H 32 7.731 7.889 -0.158 1
1 368 . 12 1 1 A 32 32 ASN HA H 32 5.127 4.981 0.146 1
1 373 . 12 1 1 A 32 32 ASN C C 32 172.750 173.870 -1.120 1
1 374 . 12 1 1 A 32 32 ASN CA C 32 54.111 52.417 1.694 1
1 375 . 12 1 1 A 32 32 ASN CB C 32 40.161 37.602 2.559 1
1 376 . 12 1 1 A 32 32 ASN N N 32 116.937 116.533 0.404 1
1 378 . 12 1 1 A 33 33 ILE H H 33 7.105 7.810 -0.705 1
1 379 . 12 1 1 A 33 33 ILE HA H 33 4.793 4.649 0.144 1
1 389 . 12 1 1 A 33 33 ILE CA C 33 57.895 57.426 0.469 1
1 390 . 12 1 1 A 33 33 ILE CB C 33 40.609 40.955 -0.346 1
1 394 . 12 1 1 A 33 33 ILE N N 33 121.985 126.287 -4.302 1
1 395 . 12 1 1 A 34 34 PRO HA H 34 4.065 5.022 -0.957 1
1 402 . 12 1 1 A 34 34 PRO C C 34 173.754 176.223 -2.469 1
1 403 . 12 1 1 A 34 34 PRO CA C 34 61.962 62.521 -0.559 1
1 404 . 12 1 1 A 34 34 PRO CB C 34 31.877 31.686 0.191 1
1 407 . 12 1 1 A 35 35 LYS H H 35 7.101 8.822 -1.721 1
1 408 . 12 1 1 A 35 35 LYS HA H 35 4.377 4.706 -0.329 1
1 417 . 12 1 1 A 35 35 LYS C C 35 175.712 175.133 0.579 1
1 418 . 12 1 1 A 35 35 LYS CA C 35 53.404 54.697 -1.293 1
1 419 . 12 1 1 A 35 35 LYS CB C 35 35.229 37.024 -1.795 1
1 423 . 12 1 1 A 35 35 LYS N N 35 116.046 122.221 -6.175 1
1 424 . 12 1 1 A 36 36 LYS H H 36 8.144 8.537 -0.393 1
1 425 . 12 1 1 A 36 36 LYS HA H 36 3.515 3.902 -0.387 1
1 434 . 12 1 1 A 36 36 LYS C C 36 176.774 177.346 -0.572 1
1 435 . 12 1 1 A 36 36 LYS CA C 36 58.608 58.167 0.441 1
1 436 . 12 1 1 A 36 36 LYS CB C 36 32.089 32.115 -0.026 1
1 440 . 12 1 1 A 36 36 LYS N N 36 120.797 123.071 -2.274 1
1 441 . 12 1 1 A 37 37 GLY H H 37 9.113 8.968 0.145 1
1 442 . 12 1 1 A 37 37 GLY HA2 H 37 3.494 4.009 -0.515 1
1 443 . 12 1 1 A 37 37 GLY HA3 H 37 4.330 4.013 0.317 1
1 444 . 12 1 1 A 37 37 GLY C C 37 175.329 174.362 0.967 1
1 445 . 12 1 1 A 37 37 GLY CA C 37 44.853 45.050 -0.197 1
1 446 . 12 1 1 A 37 37 GLY N N 37 113.967 115.027 -1.060 1
1 447 . 12 1 1 A 38 38 ASN H H 38 8.447 7.940 0.507 1
1 448 . 12 1 1 A 38 38 ASN HA H 38 4.663 4.867 -0.204 1
1 453 . 12 1 1 A 38 38 ASN C C 38 174.878 174.813 0.065 1
1 454 . 12 1 1 A 38 38 ASN CA C 38 53.557 52.953 0.604 1
1 455 . 12 1 1 A 38 38 ASN CB C 38 39.155 39.672 -0.517 1
1 457 . 12 1 1 A 38 38 ASN N N 38 117.828 119.718 -1.890 1
1 459 . 12 1 1 A 39 39 GLU H H 39 8.331 8.677 -0.346 1
1 460 . 12 1 1 A 39 39 GLU HA H 39 4.254 4.410 -0.156 1
1 465 . 12 1 1 A 39 39 GLU C C 39 175.656 176.140 -0.484 1
1 466 . 12 1 1 A 39 39 GLU CA C 39 55.804 56.165 -0.361 1
1 467 . 12 1 1 A 39 39 GLU CB C 39 31.464 29.883 1.581 1
1 469 . 12 1 1 A 39 39 GLU N N 39 121.094 123.695 -2.601 1
1 470 . 12 1 1 A 40 40 VAL H H 40 9.138 8.847 0.291 1
1 471 . 12 1 1 A 40 40 VAL HA H 40 4.699 5.076 -0.377 1
1 479 . 12 1 1 A 40 40 VAL C C 40 173.240 174.670 -1.430 1
1 480 . 12 1 1 A 40 40 VAL CA C 40 59.559 60.585 -1.026 1
1 481 . 12 1 1 A 40 40 VAL CB C 40 32.896 34.212 -1.316 1
1 484 . 12 1 1 A 40 40 VAL N N 40 125.845 122.412 3.433 1
1 485 . 12 1 1 A 41 41 THR H H 41 8.328 9.489 -1.161 1
1 486 . 12 1 1 A 41 41 THR HA H 41 4.982 4.907 0.075 1
1 491 . 12 1 1 A 41 41 THR C C 41 174.455 174.006 0.449 1
1 492 . 12 1 1 A 41 41 THR CA C 41 61.964 62.141 -0.177 1
1 493 . 12 1 1 A 41 41 THR CB C 41 69.623 69.421 0.202 1
1 495 . 12 1 1 A 41 41 THR N N 41 117.531 121.392 -3.861 1
1 496 . 12 1 1 A 42 42 VAL H H 42 9.581 8.451 1.130 1
1 497 . 12 1 1 A 42 42 VAL HA H 42 5.669 5.003 0.666 1
1 505 . 12 1 1 A 42 42 VAL C C 42 174.919 173.908 1.011 1
1 506 . 12 1 1 A 42 42 VAL CA C 42 57.930 59.078 -1.148 1
1 507 . 12 1 1 A 42 42 VAL CB C 42 35.321 34.374 0.947 1
1 510 . 12 1 1 A 42 42 VAL N N 42 117.828 120.959 -3.131 1
1 511 . 12 1 1 A 43 43 HIS H H 43 8.333 8.935 -0.602 1
1 512 . 12 1 1 A 43 43 HIS HA H 43 5.407 5.284 0.123 1
1 515 . 12 1 1 A 43 43 HIS C C 43 176.136 173.783 2.353 1
1 516 . 12 1 1 A 43 43 HIS CA C 43 54.147 54.840 -0.693 1
1 517 . 12 1 1 A 43 43 HIS CB C 43 35.339 32.932 2.407 1
1 518 . 12 1 1 A 43 43 HIS N N 43 119.906 125.100 -5.194 1
1 519 . 12 1 1 A 44 44 TYR H H 44 9.622 8.786 0.836 1
1 520 . 12 1 1 A 44 44 TYR HA H 44 6.247 6.245 0.002 1
1 527 . 12 1 1 A 44 44 TYR C C 44 172.857 173.531 -0.674 1
1 528 . 12 1 1 A 44 44 TYR CA C 44 56.304 55.537 0.767 1
1 529 . 12 1 1 A 44 44 TYR CB C 44 43.537 42.672 0.865 1
1 530 . 12 1 1 A 44 44 TYR N N 44 117.234 120.318 -3.084 1
1 531 . 12 1 1 A 45 45 VAL H H 45 8.735 8.281 0.454 1
1 532 . 12 1 1 A 45 45 VAL HA H 45 4.520 4.440 0.080 1
1 540 . 12 1 1 A 45 45 VAL C C 45 175.200 174.621 0.579 1
1 541 . 12 1 1 A 45 45 VAL CA C 45 62.212 60.233 1.979 1
1 542 . 12 1 1 A 45 45 VAL CB C 45 35.550 34.913 0.637 1
1 545 . 12 1 1 A 45 45 VAL N N 45 118.125 119.021 -0.896 1
1 546 . 12 1 1 A 46 46 GLY H H 46 9.126 8.043 1.083 1
1 547 . 12 1 1 A 46 46 GLY HA2 H 46 4.539 4.122 0.417 1
1 548 . 12 1 1 A 46 46 GLY HA3 H 46 4.506 4.132 0.374 1
1 549 . 12 1 1 A 46 46 GLY C C 46 170.771 171.619 -0.848 1
1 550 . 12 1 1 A 46 46 GLY CA C 46 45.601 45.938 -0.337 1
1 551 . 12 1 1 A 46 46 GLY N N 46 114.858 110.930 3.928 1
1 552 . 12 1 1 A 47 47 LYS H H 47 9.121 8.082 1.039 1
1 553 . 12 1 1 A 47 47 LYS HA H 47 5.176 4.740 0.436 1
1 562 . 12 1 1 A 47 47 LYS C C 47 175.830 174.505 1.325 1
1 563 . 12 1 1 A 47 47 LYS CA C 47 53.937 54.067 -0.130 1
1 564 . 12 1 1 A 47 47 LYS CB C 47 37.021 36.263 0.758 1
1 568 . 12 1 1 A 47 47 LYS N N 47 123.469 119.031 4.438 1
1 569 . 12 1 1 A 48 48 LEU H H 48 8.016 9.143 -1.127 1
1 570 . 12 1 1 A 48 48 LEU HA H 48 4.692 4.647 0.045 1
1 580 . 12 1 1 A 48 48 LEU C C 48 178.031 176.588 1.443 1
1 581 . 12 1 1 A 48 48 LEU CA C 48 54.231 54.208 0.023 1
1 582 . 12 1 1 A 48 48 LEU CB C 48 41.678 42.471 -0.793 1
1 586 . 12 1 1 A 48 48 LEU N N 48 121.391 122.728 -1.337 1
1 587 . 12 1 1 A 49 49 GLU H H 49 8.085 8.571 -0.486 1
1 588 . 12 1 1 A 49 49 GLU HA H 49 3.835 3.850 -0.015 1
1 593 . 12 1 1 A 49 49 GLU C C 49 178.118 177.850 0.268 1
1 594 . 12 1 1 A 49 49 GLU CA C 49 59.974 59.774 0.200 1
1 595 . 12 1 1 A 49 49 GLU CB C 49 30.322 29.247 1.075 1
1 597 . 12 1 1 A 49 49 GLU N N 49 124.954 127.255 -2.301 1
1 598 . 12 1 1 A 50 50 SER H H 50 9.220 8.007 1.213 1
1 599 . 12 1 1 A 50 50 SER HA H 50 4.154 4.215 -0.061 1
1 602 . 12 1 1 A 50 50 SER C C 50 176.751 175.907 0.844 1
1 603 . 12 1 1 A 50 50 SER CA C 50 60.230 61.026 -0.796 1
1 604 . 12 1 1 A 50 50 SER CB C 50 62.229 63.269 -1.040 1
1 605 . 12 1 1 A 50 50 SER N N 50 112.186 114.842 -2.656 1
1 606 . 12 1 1 A 51 51 THR H H 51 6.784 7.609 -0.825 1
1 607 . 12 1 1 A 51 51 THR HA H 51 4.520 4.548 -0.028 1
1 612 . 12 1 1 A 51 51 THR C C 51 176.342 174.906 1.436 1
1 613 . 12 1 1 A 51 51 THR CA C 51 60.760 62.293 -1.533 1
1 614 . 12 1 1 A 51 51 THR CB C 51 71.046 70.278 0.768 1
1 616 . 12 1 1 A 51 51 THR N N 51 105.653 112.652 -6.999 1
1 617 . 12 1 1 A 52 52 GLY H H 52 8.296 7.869 0.427 1
1 618 . 12 1 1 A 52 52 GLY HA2 H 52 3.680 3.978 -0.298 1
1 619 . 12 1 1 A 52 52 GLY HA3 H 52 4.096 3.978 0.118 1
1 620 . 12 1 1 A 52 52 GLY C C 52 173.336 174.254 -0.918 1
1 621 . 12 1 1 A 52 52 GLY CA C 52 45.711 46.081 -0.370 1
1 622 . 12 1 1 A 52 52 GLY N N 52 112.483 110.985 1.498 1
1 623 . 12 1 1 A 53 53 LYS H H 53 7.479 7.535 -0.056 1
1 624 . 12 1 1 A 53 53 LYS HA H 53 4.218 4.682 -0.464 1
1 633 . 12 1 1 A 53 53 LYS C C 53 176.513 175.377 1.136 1
1 634 . 12 1 1 A 53 53 LYS CA C 53 56.217 54.493 1.724 1
1 635 . 12 1 1 A 53 53 LYS CB C 53 33.430 34.544 -1.114 1
1 639 . 12 1 1 A 53 53 LYS N N 53 119.609 119.400 0.209 1
1 640 . 12 1 1 A 54 54 VAL H H 54 8.511 8.469 0.042 1
1 641 . 12 1 1 A 54 54 VAL HA H 54 4.244 4.338 -0.094 1
1 649 . 12 1 1 A 54 54 VAL C C 54 176.879 176.313 0.566 1
1 650 . 12 1 1 A 54 54 VAL CA C 54 62.409 62.068 0.341 1
1 651 . 12 1 1 A 54 54 VAL CB C 54 32.697 33.039 -0.342 1
1 654 . 12 1 1 A 54 54 VAL N N 54 126.109 124.080 2.029 1
1 655 . 12 1 1 A 55 55 PHE H H 55 8.325 8.910 -0.585 1
1 656 . 12 1 1 A 55 55 PHE HA H 55 5.036 4.768 0.268 1
1 664 . 12 1 1 A 55 55 PHE C C 55 174.856 174.644 0.212 1
1 665 . 12 1 1 A 55 55 PHE CA C 55 55.758 58.465 -2.707 1
1 666 . 12 1 1 A 55 55 PHE CB C 55 40.399 40.393 0.006 1
1 667 . 12 1 1 A 55 55 PHE N N 55 124.063 125.083 -1.020 1
1 668 . 12 1 1 A 56 56 ASP H H 56 6.884 8.862 -1.978 1
1 669 . 12 1 1 A 56 56 ASP HA H 56 4.801 5.177 -0.376 1
1 672 . 12 1 1 A 56 56 ASP C C 56 173.688 174.488 -0.800 1
1 673 . 12 1 1 A 56 56 ASP CA C 56 54.956 53.886 1.070 1
1 674 . 12 1 1 A 56 56 ASP CB C 56 43.616 41.652 1.964 1
1 675 . 12 1 1 A 56 56 ASP N N 56 120.500 124.425 -3.925 1
1 676 . 12 1 1 A 57 57 SER H H 57 8.038 9.728 -1.690 1
1 677 . 12 1 1 A 57 57 SER HA H 57 4.796 5.038 -0.242 1
1 680 . 12 1 1 A 57 57 SER C C 57 174.997 174.080 0.917 1
1 681 . 12 1 1 A 57 57 SER CA C 57 55.792 57.663 -1.871 1
1 682 . 12 1 1 A 57 57 SER CB C 57 64.961 67.392 -2.431 1
1 683 . 12 1 1 A 57 57 SER N N 57 118.421 120.941 -2.520 1
1 684 . 12 1 1 A 58 58 SER H H 58 8.429 8.995 -0.566 1
1 685 . 12 1 1 A 58 58 SER HA H 58 4.080 4.076 0.004 1
1 688 . 12 1 1 A 58 58 SER C C 58 177.399 175.579 1.820 1
1 689 . 12 1 1 A 58 58 SER CA C 58 61.499 62.087 -0.588 1
1 690 . 12 1 1 A 58 58 SER CB C 58 65.069 62.674 2.395 1
1 691 . 12 1 1 A 58 58 SER N N 58 123.766 118.057 5.709 1
1 692 . 12 1 1 A 59 59 PHE H H 59 7.276 7.651 -0.375 1
1 693 . 12 1 1 A 59 59 PHE HA H 59 3.851 4.464 -0.613 1
1 701 . 12 1 1 A 59 59 PHE C C 59 178.929 178.345 0.584 1
1 702 . 12 1 1 A 59 59 PHE CA C 59 61.010 60.106 0.904 1
1 703 . 12 1 1 A 59 59 PHE CB C 59 38.129 39.948 -1.819 1
1 704 . 12 1 1 A 59 59 PHE N N 59 121.845 118.559 3.286 1
1 705 . 12 1 1 A 60 60 ASP H H 60 7.534 8.732 -1.198 1
1 706 . 12 1 1 A 60 60 ASP HA H 60 4.343 4.405 -0.062 1
1 709 . 12 1 1 A 60 60 ASP C C 60 177.295 177.468 -0.173 1
1 710 . 12 1 1 A 60 60 ASP CA C 60 56.921 56.843 0.078 1
1 711 . 12 1 1 A 60 60 ASP CB C 60 40.298 40.124 0.174 1
1 712 . 12 1 1 A 60 60 ASP N N 60 119.015 119.890 -0.875 1
1 713 . 12 1 1 A 61 61 ARG H H 61 7.224 8.045 -0.821 1
1 714 . 12 1 1 A 61 61 ARG HA H 61 4.378 4.285 0.093 1
1 721 . 12 1 1 A 61 61 ARG C C 61 175.798 178.187 -2.389 1
1 722 . 12 1 1 A 61 61 ARG CA C 61 55.209 57.720 -2.511 1
1 723 . 12 1 1 A 61 61 ARG CB C 61 32.610 30.737 1.873 1
1 726 . 12 1 1 A 61 61 ARG N N 61 115.452 118.595 -3.143 1
1 727 . 12 1 1 A 62 62 ASN H H 62 7.946 8.189 -0.243 1
1 728 . 12 1 1 A 62 62 ASN HA H 62 4.392 4.797 -0.405 1
1 733 . 12 1 1 A 62 62 ASN C C 62 173.776 175.170 -1.394 1
1 734 . 12 1 1 A 62 62 ASN CA C 62 54.269 54.815 -0.546 1
1 735 . 12 1 1 A 62 62 ASN CB C 62 38.597 39.972 -1.375 1
1 737 . 12 1 1 A 62 62 ASN N N 62 115.196 118.445 -3.249 1
1 739 . 12 1 1 A 63 63 VAL H H 63 7.278 8.143 -0.865 1
1 740 . 12 1 1 A 63 63 VAL HA H 63 4.628 4.529 0.099 1
1 748 . 12 1 1 A 63 63 VAL CA C 63 62.601 59.328 3.273 1
1 749 . 12 1 1 A 63 63 VAL CB C 63 35.186 32.769 2.417 1
1 752 . 12 1 1 A 63 63 VAL N N 63 115.155 113.333 1.822 1
1 753 . 12 1 1 A 64 64 PRO HA H 64 4.516 4.743 -0.227 1
1 760 . 12 1 1 A 64 64 PRO C C 64 174.254 176.272 -2.018 1
1 761 . 12 1 1 A 64 64 PRO CA C 64 62.601 62.702 -0.101 1
1 762 . 12 1 1 A 64 64 PRO CB C 64 31.977 32.372 -0.395 1
1 765 . 12 1 1 A 65 65 PHE H H 65 9.109 8.629 0.480 1
1 766 . 12 1 1 A 65 65 PHE HA H 65 4.821 5.070 -0.249 1
1 774 . 12 1 1 A 65 65 PHE C C 65 173.320 174.785 -1.465 1
1 775 . 12 1 1 A 65 65 PHE CA C 65 57.292 57.980 -0.688 1
1 776 . 12 1 1 A 65 65 PHE CB C 65 42.894 41.626 1.268 1
1 777 . 12 1 1 A 65 65 PHE N N 65 123.469 123.590 -0.121 1
1 778 . 12 1 1 A 66 66 LYS H H 66 7.474 8.338 -0.864 1
1 779 . 12 1 1 A 66 66 LYS HA H 66 5.378 5.390 -0.012 1
1 788 . 12 1 1 A 66 66 LYS C C 66 175.026 174.563 0.463 1
1 789 . 12 1 1 A 66 66 LYS CA C 66 53.876 54.210 -0.334 1
1 790 . 12 1 1 A 66 66 LYS CB C 66 35.471 36.315 -0.844 1
1 794 . 12 1 1 A 66 66 LYS N N 66 125.548 123.218 2.330 1
1 795 . 12 1 1 A 67 67 PHE H H 67 8.114 8.197 -0.083 1
1 796 . 12 1 1 A 67 67 PHE HA H 67 4.469 5.167 -0.698 1
1 804 . 12 1 1 A 67 67 PHE C C 67 172.049 172.854 -0.805 1
1 805 . 12 1 1 A 67 67 PHE CA C 67 55.662 55.090 0.572 1
1 806 . 12 1 1 A 67 67 PHE CB C 67 40.087 41.536 -1.449 1
1 807 . 12 1 1 A 67 67 PHE N N 67 115.419 116.965 -1.546 1
1 808 . 12 1 1 A 68 68 HIS H H 68 8.983 8.793 0.190 1
1 809 . 12 1 1 A 68 68 HIS HA H 68 5.482 5.153 0.329 1
1 812 . 12 1 1 A 68 68 HIS C C 68 174.742 174.644 0.098 1
1 813 . 12 1 1 A 68 68 HIS CA C 68 55.348 54.116 1.232 1
1 814 . 12 1 1 A 68 68 HIS CB C 68 28.470 32.823 -4.353 1
1 815 . 12 1 1 A 68 68 HIS N N 68 118.421 116.153 2.268 1
1 816 . 12 1 1 A 69 69 LEU H H 69 8.317 8.687 -0.370 1
1 817 . 12 1 1 A 69 69 LEU HA H 69 4.016 4.416 -0.400 1
1 827 . 12 1 1 A 69 69 LEU CA C 69 56.060 55.870 0.190 1
1 828 . 12 1 1 A 69 69 LEU CB C 69 42.903 42.028 0.875 1
1 832 . 12 1 1 A 69 69 LEU N N 69 126.736 124.159 2.577 1
1 833 . 12 1 1 A 70 70 GLU H H 70 9.618 9.185 0.433 1
1 834 . 12 1 1 A 70 70 GLU HA H 70 3.847 4.162 -0.315 1
1 839 . 12 1 1 A 70 70 GLU C C 70 174.818 177.290 -2.472 1
1 840 . 12 1 1 A 70 70 GLU CA C 70 58.625 57.294 1.331 1
1 841 . 12 1 1 A 70 70 GLU CB C 70 27.456 28.333 -0.877 1
1 843 . 12 1 1 A 70 70 GLU N N 70 124.954 126.011 -1.057 1
1 844 . 12 1 1 A 71 71 GLN H H 71 8.248 8.198 0.050 1
1 845 . 12 1 1 A 71 71 GLN HA H 71 4.678 4.515 0.163 1
1 852 . 12 1 1 A 71 71 GLN CA C 71 54.218 54.738 -0.520 1
1 853 . 12 1 1 A 71 71 GLN CB C 71 30.422 28.913 1.509 1
1 856 . 12 1 1 A 71 71 GLN N N 71 114.858 119.577 -4.719 1
1 858 . 12 1 1 A 72 72 GLY H H 72 8.362 8.194 0.168 1
1 859 . 12 1 1 A 72 72 GLY HA2 H 72 4.145 4.046 0.099 1
1 860 . 12 1 1 A 72 72 GLY HA3 H 72 4.059 4.080 -0.021 1
1 861 . 12 1 1 A 72 72 GLY C C 72 175.783 175.523 0.260 1
1 862 . 12 1 1 A 72 72 GLY CA C 72 46.838 45.350 1.488 1
1 863 . 12 1 1 A 72 72 GLY N N 72 110.404 109.553 0.851 1
1 864 . 12 1 1 A 73 73 GLU H H 73 9.085 7.973 1.112 1
1 865 . 12 1 1 A 73 73 GLU HA H 73 4.187 4.194 -0.007 1
1 870 . 12 1 1 A 73 73 GLU C C 73 175.522 176.524 -1.002 1
1 871 . 12 1 1 A 73 73 GLU CA C 73 57.443 58.163 -0.720 1
1 872 . 12 1 1 A 73 73 GLU CB C 73 31.378 30.299 1.079 1
1 874 . 12 1 1 A 73 73 GLU N N 73 118.421 118.189 0.232 1
1 875 . 12 1 1 A 74 74 VAL H H 74 6.862 7.217 -0.355 1
1 876 . 12 1 1 A 74 74 VAL HA H 74 4.281 4.076 0.205 1
1 884 . 12 1 1 A 74 74 VAL C C 74 175.773 175.618 0.155 1
1 885 . 12 1 1 A 74 74 VAL CA C 74 57.468 60.824 -3.356 1
1 886 . 12 1 1 A 74 74 VAL CB C 74 36.344 32.880 3.464 1
1 889 . 12 1 1 A 74 74 VAL N N 74 108.919 116.205 -7.286 1
1 890 . 12 1 1 A 75 75 ILE H H 75 7.462 9.120 -1.658 1
1 891 . 12 1 1 A 75 75 ILE HA H 75 3.844 4.255 -0.411 1
1 901 . 12 1 1 A 75 75 ILE C C 75 177.618 177.283 0.335 1
1 902 . 12 1 1 A 75 75 ILE CA C 75 62.213 62.247 -0.034 1
1 903 . 12 1 1 A 75 75 ILE CB C 75 37.337 38.167 -0.830 1
1 907 . 12 1 1 A 75 75 ILE N N 75 113.373 123.827 -10.454 1
1 908 . 12 1 1 A 76 76 LYS H H 76 9.047 8.129 0.918 1
1 909 . 12 1 1 A 76 76 LYS HA H 76 4.282 4.474 -0.192 1
1 918 . 12 1 1 A 76 76 LYS C C 76 180.009 178.582 1.427 1
1 919 . 12 1 1 A 76 76 LYS CA C 76 59.482 56.978 2.504 1
1 920 . 12 1 1 A 76 76 LYS CB C 76 32.740 34.707 -1.967 1
1 924 . 12 1 1 A 76 76 LYS N N 76 124.954 121.354 3.600 1
1 925 . 12 1 1 A 77 77 GLY H H 77 9.775 8.186 1.589 1
1 926 . 12 1 1 A 77 77 GLY HA2 H 77 3.786 3.201 0.585 1
1 927 . 12 1 1 A 77 77 GLY HA3 H 77 3.618 3.275 0.343 1
1 928 . 12 1 1 A 77 77 GLY C C 77 175.261 176.479 -1.218 1
1 929 . 12 1 1 A 77 77 GLY CA C 77 47.402 47.034 0.368 1
1 930 . 12 1 1 A 77 77 GLY N N 77 101.199 108.203 -7.004 1
1 931 . 12 1 1 A 78 78 TRP H H 78 7.817 8.103 -0.286 1
1 932 . 12 1 1 A 78 78 TRP HA H 78 4.017 4.834 -0.817 1
1 940 . 12 1 1 A 78 78 TRP C C 78 177.610 178.050 -0.440 1
1 941 . 12 1 1 A 78 78 TRP CA C 78 61.524 60.159 1.365 1
1 942 . 12 1 1 A 78 78 TRP CB C 78 28.655 29.956 -1.301 1
1 943 . 12 1 1 A 78 78 TRP N N 78 120.203 122.319 -2.116 1
1 944 . 12 1 1 A 79 79 ASP H H 79 6.967 8.339 -1.372 1
1 945 . 12 1 1 A 79 79 ASP HA H 79 4.738 4.464 0.274 1
1 948 . 12 1 1 A 79 79 ASP C C 79 179.125 178.997 0.128 1
1 949 . 12 1 1 A 79 79 ASP CA C 79 58.492 57.818 0.674 1
1 950 . 12 1 1 A 79 79 ASP CB C 79 41.181 41.791 -0.610 1
1 951 . 12 1 1 A 79 79 ASP N N 79 121.688 120.183 1.505 1
1 952 . 12 1 1 A 80 80 ILE H H 80 8.173 7.982 0.191 1
1 953 . 12 1 1 A 80 80 ILE HA H 80 3.617 3.751 -0.134 1
1 963 . 12 1 1 A 80 80 ILE C C 80 177.849 177.992 -0.143 1
1 964 . 12 1 1 A 80 80 ILE CA C 80 64.758 64.617 0.141 1
1 965 . 12 1 1 A 80 80 ILE CB C 80 39.198 37.196 2.002 1
1 969 . 12 1 1 A 80 80 ILE N N 80 118.125 118.906 -0.781 1
1 970 . 12 1 1 A 81 81 CYS H H 81 7.961 8.268 -0.307 1
1 971 . 12 1 1 A 81 81 CYS HA H 81 4.456 4.150 0.306 1
1 974 . 12 1 1 A 81 81 CYS C C 81 178.812 177.218 1.594 1
1 975 . 12 1 1 A 81 81 CYS CA C 81 63.059 62.559 0.500 1
1 976 . 12 1 1 A 81 81 CYS CB C 81 27.732 27.134 0.598 1
1 977 . 12 1 1 A 81 81 CYS N N 81 116.937 121.040 -4.103 1
1 978 . 12 1 1 A 82 82 VAL H H 82 9.434 8.640 0.794 1
1 979 . 12 1 1 A 82 82 VAL HA H 82 3.476 3.432 0.044 1
1 987 . 12 1 1 A 82 82 VAL C C 82 176.456 177.736 -1.280 1
1 988 . 12 1 1 A 82 82 VAL CA C 82 66.977 66.828 0.149 1
1 989 . 12 1 1 A 82 82 VAL CB C 82 30.171 31.558 -1.387 1
1 992 . 12 1 1 A 82 82 VAL N N 82 121.688 120.808 0.880 1
1 993 . 12 1 1 A 83 83 SER H H 83 7.541 8.355 -0.814 1
1 994 . 12 1 1 A 83 83 SER HA H 83 3.964 4.306 -0.342 1
1 997 . 12 1 1 A 83 83 SER C C 83 173.661 175.228 -1.567 1
1 998 . 12 1 1 A 83 83 SER CA C 83 61.551 60.229 1.322 1
1 999 . 12 1 1 A 83 83 SER CB C 83 63.239 62.768 0.471 1
1 1000 . 12 1 1 A 83 83 SER N N 83 111.889 115.757 -3.868 1
1 1001 . 12 1 1 A 84 84 SER H H 84 7.471 7.805 -0.334 1
1 1002 . 12 1 1 A 84 84 SER HA H 84 4.530 4.636 -0.106 1
1 1005 . 12 1 1 A 84 84 SER C C 84 174.314 173.963 0.351 1
1 1006 . 12 1 1 A 84 84 SER CA C 84 58.440 57.151 1.289 1
1 1007 . 12 1 1 A 84 84 SER CB C 84 65.929 63.538 2.391 1
1 1008 . 12 1 1 A 84 84 SER N N 84 114.264 115.084 -0.820 1
1 1009 . 12 1 1 A 85 85 MET H H 85 7.441 7.225 0.216 1
1 1010 . 12 1 1 A 85 85 MET HA H 85 4.262 4.852 -0.590 1
1 1015 . 12 1 1 A 85 85 MET C C 85 172.768 174.504 -1.736 1
1 1016 . 12 1 1 A 85 85 MET CA C 85 56.502 54.291 2.211 1
1 1017 . 12 1 1 A 85 85 MET CB C 85 36.378 35.254 1.124 1
1 1019 . 12 1 1 A 85 85 MET N N 85 124.657 120.416 4.241 1
1 1020 . 12 1 1 A 86 86 ARG H H 86 7.045 8.459 -1.414 1
1 1021 . 12 1 1 A 86 86 ARG HA H 86 4.879 4.807 0.072 1
1 1028 . 12 1 1 A 86 86 ARG C C 86 177.468 176.302 1.166 1
1 1029 . 12 1 1 A 86 86 ARG CA C 86 53.395 53.875 -0.480 1
1 1030 . 12 1 1 A 86 86 ARG CB C 86 33.244 33.958 -0.714 1
1 1033 . 12 1 1 A 86 86 ARG N N 86 114.264 118.732 -4.468 1
1 1034 . 12 1 1 A 87 87 LYS H H 87 8.818 8.845 -0.027 1
1 1035 . 12 1 1 A 87 87 LYS HA H 87 3.554 3.892 -0.338 1
1 1044 . 12 1 1 A 87 87 LYS C C 87 175.382 177.420 -2.038 1
1 1045 . 12 1 1 A 87 87 LYS CA C 87 60.175 58.536 1.639 1
1 1046 . 12 1 1 A 87 87 LYS CB C 87 33.195 32.582 0.613 1
1 1050 . 12 1 1 A 87 87 LYS N N 87 121.391 123.179 -1.788 1
1 1051 . 12 1 1 A 88 88 ASN H H 88 8.943 7.778 1.165 1
1 1052 . 12 1 1 A 88 88 ASN HA H 88 4.291 4.873 -0.582 1
1 1057 . 12 1 1 A 88 88 ASN C C 88 174.124 173.941 0.183 1
1 1058 . 12 1 1 A 88 88 ASN CA C 88 56.703 52.989 3.714 1
1 1059 . 12 1 1 A 88 88 ASN CB C 88 36.677 39.551 -2.874 1
1 1060 . 12 1 1 A 88 88 ASN N N 88 116.640 114.665 1.975 1
1 1062 . 12 1 1 A 89 89 GLU H H 89 8.677 7.530 1.147 1
1 1063 . 12 1 1 A 89 89 GLU HA H 89 4.358 5.296 -0.938 1
1 1068 . 12 1 1 A 89 89 GLU C C 89 174.903 174.430 0.473 1
1 1069 . 12 1 1 A 89 89 GLU CA C 89 56.190 54.653 1.537 1
1 1070 . 12 1 1 A 89 89 GLU CB C 89 33.096 33.487 -0.391 1
1 1072 . 12 1 1 A 89 89 GLU N N 89 122.876 120.729 2.147 1
1 1073 . 12 1 1 A 90 90 LYS H H 90 8.580 8.966 -0.386 1
1 1074 . 12 1 1 A 90 90 LYS HA H 90 5.542 4.892 0.650 1
1 1083 . 12 1 1 A 90 90 LYS C C 90 175.593 174.473 1.120 1
1 1084 . 12 1 1 A 90 90 LYS CA C 90 54.210 55.893 -1.683 1
1 1085 . 12 1 1 A 90 90 LYS CB C 90 36.189 36.224 -0.035 1
1 1089 . 12 1 1 A 90 90 LYS N N 90 123.469 124.335 -0.866 1
1 1090 . 12 1 1 A 91 91 CYS H H 91 9.673 8.086 1.587 1
1 1091 . 12 1 1 A 91 91 CYS HA H 91 5.524 5.119 0.405 1
1 1094 . 12 1 1 A 91 91 CYS C C 91 170.527 172.646 -2.119 1
1 1095 . 12 1 1 A 91 91 CYS CA C 91 54.690 57.593 -2.903 1
1 1096 . 12 1 1 A 91 91 CYS CB C 91 32.542 33.129 -0.587 1
1 1097 . 12 1 1 A 91 91 CYS N N 91 122.579 123.549 -0.970 1
1 1098 . 12 1 1 A 92 92 LEU H H 92 8.984 8.585 0.399 1
1 1099 . 12 1 1 A 92 92 LEU HA H 92 5.458 5.210 0.248 1
1 1109 . 12 1 1 A 92 92 LEU C C 92 175.596 174.949 0.647 1
1 1110 . 12 1 1 A 92 92 LEU CA C 92 53.413 53.317 0.096 1
1 1111 . 12 1 1 A 92 92 LEU CB C 92 44.972 43.792 1.180 1
1 1115 . 12 1 1 A 92 92 LEU N N 92 122.282 122.353 -0.071 1
1 1116 . 12 1 1 A 93 93 VAL H H 93 10.107 9.220 0.887 1
1 1117 . 12 1 1 A 93 93 VAL HA H 93 5.506 4.961 0.545 1
1 1125 . 12 1 1 A 93 93 VAL C C 93 171.051 173.840 -2.789 1
1 1126 . 12 1 1 A 93 93 VAL CA C 93 58.200 59.456 -1.256 1
1 1127 . 12 1 1 A 93 93 VAL CB C 93 35.276 35.136 0.140 1
1 1130 . 12 1 1 A 93 93 VAL N N 93 126.224 125.363 0.861 1
1 1131 . 12 1 1 A 94 94 ARG H H 94 8.949 8.743 0.206 1
1 1132 . 12 1 1 A 94 94 ARG HA H 94 5.133 4.983 0.150 1
1 1139 . 12 1 1 A 94 94 ARG C C 94 175.823 175.002 0.821 1
1 1140 . 12 1 1 A 94 94 ARG CA C 94 56.219 54.816 1.403 1
1 1141 . 12 1 1 A 94 94 ARG CB C 94 32.039 31.607 0.432 1
1 1144 . 12 1 1 A 94 94 ARG N N 94 130.596 127.054 3.542 1
1 1145 . 12 1 1 A 95 95 ILE H H 95 9.655 8.385 1.270 1
1 1146 . 12 1 1 A 95 95 ILE HA H 95 4.899 4.402 0.497 1
1 1156 . 12 1 1 A 95 95 ILE C C 95 175.215 175.307 -0.092 1
1 1157 . 12 1 1 A 95 95 ILE CA C 95 60.582 60.692 -0.110 1
1 1158 . 12 1 1 A 95 95 ILE CB C 95 37.359 37.145 0.214 1
1 1162 . 12 1 1 A 95 95 ILE N N 95 129.905 126.480 3.425 1
1 1163 . 12 1 1 A 96 96 GLU H H 96 9.213 8.839 0.374 1
1 1164 . 12 1 1 A 96 96 GLU HA H 96 4.320 4.413 -0.093 1
1 1169 . 12 1 1 A 96 96 GLU C C 96 177.897 177.521 0.376 1
1 1170 . 12 1 1 A 96 96 GLU CA C 96 57.568 55.166 2.402 1
1 1171 . 12 1 1 A 96 96 GLU CB C 96 29.676 31.222 -1.546 1
1 1173 . 12 1 1 A 96 96 GLU N N 96 126.439 128.987 -2.548 1
1 1174 . 12 1 1 A 97 97 SER H H 97 8.693 8.780 -0.087 1
1 1175 . 12 1 1 A 97 97 SER HA H 97 4.370 4.112 0.258 1
1 1178 . 12 1 1 A 97 97 SER C C 97 178.668 175.596 3.072 1
1 1179 . 12 1 1 A 97 97 SER CA C 97 62.800 61.648 1.152 1
1 1180 . 12 1 1 A 97 97 SER CB C 97 64.591 62.458 2.133 1
1 1181 . 12 1 1 A 97 97 SER N N 97 115.749 119.033 -3.284 1
1 1182 . 12 1 1 A 98 98 MET H H 98 8.937 8.377 0.560 1
1 1183 . 12 1 1 A 98 98 MET HA H 98 4.170 4.239 -0.069 1
1 1188 . 12 1 1 A 98 98 MET C C 98 179.250 176.318 2.932 1
1 1189 . 12 1 1 A 98 98 MET CA C 98 58.702 56.989 1.713 1
1 1190 . 12 1 1 A 98 98 MET CB C 98 31.047 31.924 -0.877 1
1 1192 . 12 1 1 A 98 98 MET N N 98 121.985 118.764 3.221 1
1 1193 . 12 1 1 A 99 99 TYR H H 99 7.927 7.716 0.211 1
1 1194 . 12 1 1 A 99 99 TYR HA H 99 4.435 4.576 -0.141 1
1 1201 . 12 1 1 A 99 99 TYR C C 99 173.125 175.848 -2.723 1
1 1202 . 12 1 1 A 99 99 TYR CA C 99 58.064 58.797 -0.733 1
1 1203 . 12 1 1 A 99 99 TYR CB C 99 39.570 38.605 0.965 1
1 1204 . 12 1 1 A 99 99 TYR N N 99 116.640 118.090 -1.450 1
1 1205 . 12 1 1 A 100 100 GLY H H 100 7.802 7.684 0.118 1
1 1206 . 12 1 1 A 100 100 GLY HA2 H 100 3.223 4.298 -1.075 1
1 1207 . 12 1 1 A 100 100 GLY HA3 H 100 4.309 4.410 -0.101 1
1 1208 . 12 1 1 A 100 100 GLY C C 100 173.213 174.607 -1.394 1
1 1209 . 12 1 1 A 100 100 GLY CA C 100 45.062 44.338 0.724 1
1 1210 . 12 1 1 A 100 100 GLY N N 100 110.998 108.076 2.922 1
1 1211 . 12 1 1 A 101 101 TYR H H 101 9.407 9.034 0.373 1
1 1212 . 12 1 1 A 101 101 TYR HA H 101 4.443 4.527 -0.084 1
1 1219 . 12 1 1 A 101 101 TYR C C 101 176.014 176.363 -0.349 1
1 1220 . 12 1 1 A 101 101 TYR CA C 101 58.944 59.885 -0.941 1
1 1221 . 12 1 1 A 101 101 TYR CB C 101 37.732 39.006 -1.274 1
1 1222 . 12 1 1 A 101 101 TYR N N 101 126.439 117.838 8.601 1
1 1223 . 12 1 1 A 102 102 GLY H H 102 8.231 8.088 0.143 1
1 1224 . 12 1 1 A 102 102 GLY HA2 H 102 4.001 4.066 -0.065 1
1 1225 . 12 1 1 A 102 102 GLY HA3 H 102 3.715 4.076 -0.361 1
1 1226 . 12 1 1 A 102 102 GLY C C 102 175.685 174.647 1.038 1
1 1227 . 12 1 1 A 102 102 GLY CA C 102 46.447 45.421 1.026 1
1 1228 . 12 1 1 A 102 102 GLY N N 102 107.138 108.102 -0.964 1
1 1229 . 12 1 1 A 103 103 ASP H H 103 8.983 8.837 0.146 1
1 1230 . 12 1 1 A 103 103 ASP HA H 103 4.277 4.533 -0.256 1
1 1233 . 12 1 1 A 103 103 ASP C C 103 176.677 177.948 -1.271 1
1 1234 . 12 1 1 A 103 103 ASP CA C 103 56.352 56.140 0.212 1
1 1235 . 12 1 1 A 103 103 ASP CB C 103 40.640 40.845 -0.205 1
1 1236 . 12 1 1 A 103 103 ASP N N 103 124.954 123.956 0.998 1
1 1237 . 12 1 1 A 104 104 GLU H H 104 8.552 7.951 0.601 1
1 1238 . 12 1 1 A 104 104 GLU HA H 104 4.139 4.368 -0.229 1
1 1243 . 12 1 1 A 104 104 GLU C C 104 179.142 176.419 2.723 1
1 1244 . 12 1 1 A 104 104 GLU CA C 104 58.100 55.998 2.102 1
1 1245 . 12 1 1 A 104 104 GLU CB C 104 30.076 30.118 -0.042 1
1 1247 . 12 1 1 A 104 104 GLU N N 104 117.531 119.196 -1.665 1
1 1248 . 12 1 1 A 105 105 GLY H H 105 7.188 7.985 -0.797 1
1 1249 . 12 1 1 A 105 105 GLY HA2 H 105 3.137 4.122 -0.985 1
1 1250 . 12 1 1 A 105 105 GLY HA3 H 105 4.012 4.274 -0.262 1
1 1251 . 12 1 1 A 105 105 GLY C C 105 171.730 172.905 -1.175 1
1 1252 . 12 1 1 A 105 105 GLY CA C 105 44.214 45.045 -0.831 1
1 1253 . 12 1 1 A 105 105 GLY N N 105 104.168 108.717 -4.549 1
1 1254 . 12 1 1 A 106 106 CYS H H 106 9.026 8.220 0.806 1
1 1255 . 12 1 1 A 106 106 CYS HA H 106 4.253 5.080 -0.827 1
1 1258 . 12 1 1 A 106 106 CYS C C 106 173.438 173.955 -0.517 1
1 1259 . 12 1 1 A 106 106 CYS CA C 106 57.814 57.443 0.371 1
1 1260 . 12 1 1 A 106 106 CYS CB C 106 26.162 28.593 -2.431 1
1 1261 . 12 1 1 A 106 106 CYS N N 106 121.949 121.107 0.842 1
1 1262 . 12 1 1 A 107 107 GLY H H 107 8.584 9.020 -0.436 1
1 1263 . 12 1 1 A 107 107 GLY HA2 H 107 3.706 4.298 -0.592 1
1 1264 . 12 1 1 A 107 107 GLY HA3 H 107 3.954 4.333 -0.379 1
1 1265 . 12 1 1 A 107 107 GLY C C 107 173.461 174.556 -1.095 1
1 1266 . 12 1 1 A 107 107 GLY CA C 107 45.258 44.846 0.412 1
1 1267 . 12 1 1 A 107 107 GLY N N 107 114.561 114.228 0.333 1
1 1268 . 12 1 1 A 108 108 GLU H H 108 8.503 9.021 -0.518 1
1 1269 . 12 1 1 A 108 108 GLU HA H 108 4.051 3.929 0.122 1
1 1274 . 12 1 1 A 108 108 GLU C C 108 178.118 178.138 -0.020 1
1 1275 . 12 1 1 A 108 108 GLU CA C 108 57.478 59.419 -1.941 1
1 1276 . 12 1 1 A 108 108 GLU CB C 108 29.835 29.660 0.175 1
1 1278 . 12 1 1 A 108 108 GLU N N 108 119.609 125.623 -6.014 1
1 1279 . 12 1 1 A 109 109 SER H H 109 8.082 8.042 0.040 1
1 1280 . 12 1 1 A 109 109 SER HA H 109 4.127 4.403 -0.276 1
1 1283 . 12 1 1 A 109 109 SER C C 109 173.569 175.455 -1.886 1
1 1284 . 12 1 1 A 109 109 SER CA C 109 60.141 60.176 -0.035 1
1 1285 . 12 1 1 A 109 109 SER CB C 109 63.935 63.993 -0.058 1
1 1286 . 12 1 1 A 109 109 SER N N 109 112.186 113.444 -1.258 1
1 1287 . 12 1 1 A 110 110 ILE H H 110 6.570 7.836 -1.266 1
1 1288 . 12 1 1 A 110 110 ILE HA H 110 4.235 4.489 -0.254 1
1 1298 . 12 1 1 A 110 110 ILE CA C 110 58.031 58.323 -0.292 1
1 1299 . 12 1 1 A 110 110 ILE CB C 110 39.086 37.855 1.231 1
1 1303 . 12 1 1 A 110 110 ILE N N 110 116.937 114.757 2.180 1
1 1304 . 12 1 1 A 111 111 PRO HA H 111 4.510 4.758 -0.248 1
1 1311 . 12 1 1 A 111 111 PRO C C 111 179.076 175.879 3.197 1
1 1312 . 12 1 1 A 111 111 PRO CA C 111 61.703 62.895 -1.192 1
1 1313 . 12 1 1 A 111 111 PRO CB C 111 32.729 30.124 2.605 1
1 1316 . 12 1 1 A 112 112 GLY H H 112 9.018 8.417 0.601 1
1 1317 . 12 1 1 A 112 112 GLY HA2 H 112 3.461 3.915 -0.454 1
1 1318 . 12 1 1 A 112 112 GLY HA3 H 112 3.714 3.926 -0.212 1
1 1319 . 12 1 1 A 112 112 GLY C C 112 172.723 173.722 -0.999 1
1 1320 . 12 1 1 A 112 112 GLY CA C 112 46.262 46.490 -0.228 1
1 1321 . 12 1 1 A 112 112 GLY N N 112 111.592 110.252 1.340 1
1 1322 . 12 1 1 A 113 113 ASN H H 113 8.381 8.411 -0.030 1
1 1323 . 12 1 1 A 113 113 ASN HA H 113 4.278 4.303 -0.025 1
1 1328 . 12 1 1 A 113 113 ASN C C 113 174.643 174.359 0.284 1
1 1329 . 12 1 1 A 113 113 ASN CA C 113 54.388 54.761 -0.373 1
1 1330 . 12 1 1 A 113 113 ASN CB C 113 37.204 37.114 0.090 1
1 1331 . 12 1 1 A 113 113 ASN N N 113 116.937 112.325 4.612 1
1 1333 . 12 1 1 A 114 114 SER H H 114 7.617 7.885 -0.268 1
1 1334 . 12 1 1 A 114 114 SER HA H 114 4.517 4.727 -0.210 1
1 1337 . 12 1 1 A 114 114 SER C C 114 172.904 173.680 -0.776 1
1 1338 . 12 1 1 A 114 114 SER CA C 114 59.864 57.971 1.893 1
1 1339 . 12 1 1 A 114 114 SER CB C 114 64.678 64.820 -0.142 1
1 1340 . 12 1 1 A 114 114 SER N N 114 113.077 114.117 -1.040 1
1 1341 . 12 1 1 A 115 115 VAL H H 115 8.500 8.420 0.080 1
1 1342 . 12 1 1 A 115 115 VAL HA H 115 4.341 4.833 -0.492 1
1 1350 . 12 1 1 A 115 115 VAL C C 115 176.075 174.193 1.882 1
1 1351 . 12 1 1 A 115 115 VAL CA C 115 62.705 60.903 1.802 1
1 1352 . 12 1 1 A 115 115 VAL CB C 115 31.546 33.380 -1.834 1
1 1355 . 12 1 1 A 115 115 VAL N N 115 124.360 123.523 0.837 1
1 1356 . 12 1 1 A 116 116 LEU H H 116 9.104 8.779 0.325 1
1 1357 . 12 1 1 A 116 116 LEU HA H 116 5.002 4.875 0.127 1
1 1367 . 12 1 1 A 116 116 LEU C C 116 174.923 175.447 -0.524 1
1 1368 . 12 1 1 A 116 116 LEU CA C 116 53.123 53.448 -0.325 1
1 1369 . 12 1 1 A 116 116 LEU CB C 116 45.379 45.481 -0.102 1
1 1373 . 12 1 1 A 116 116 LEU N N 116 128.814 129.921 -1.107 1
1 1374 . 12 1 1 A 117 117 LEU H H 117 9.009 8.306 0.703 1
1 1375 . 12 1 1 A 117 117 LEU HA H 117 5.601 4.832 0.769 1
1 1385 . 12 1 1 A 117 117 LEU C C 117 176.574 175.098 1.476 1
1 1386 . 12 1 1 A 117 117 LEU CA C 117 52.750 52.842 -0.092 1
1 1387 . 12 1 1 A 117 117 LEU CB C 117 44.693 42.990 1.703 1
1 1391 . 12 1 1 A 117 117 LEU N N 117 121.391 121.426 -0.035 1
1 1392 . 12 1 1 A 118 118 PHE H H 118 9.375 9.119 0.256 1
1 1393 . 12 1 1 A 118 118 PHE HA H 118 6.155 5.056 1.099 1
1 1401 . 12 1 1 A 118 118 PHE C C 118 176.518 174.773 1.745 1
1 1402 . 12 1 1 A 118 118 PHE CA C 118 55.411 56.405 -0.994 1
1 1403 . 12 1 1 A 118 118 PHE CB C 118 42.385 41.437 0.948 1
1 1404 . 12 1 1 A 118 118 PHE N N 118 117.531 123.252 -5.721 1
1 1405 . 12 1 1 A 119 119 GLU H H 119 8.905 9.702 -0.797 1
1 1406 . 12 1 1 A 119 119 GLU HA H 119 5.604 4.672 0.932 1
1 1411 . 12 1 1 A 119 119 GLU C C 119 175.947 175.719 0.228 1
1 1412 . 12 1 1 A 119 119 GLU CA C 119 60.489 56.568 3.921 1
1 1413 . 12 1 1 A 119 119 GLU CB C 119 31.189 30.293 0.896 1
1 1415 . 12 1 1 A 119 119 GLU N N 119 122.876 124.142 -1.266 1
1 1416 . 12 1 1 A 120 120 ILE H H 120 8.912 8.885 0.027 1
1 1417 . 12 1 1 A 120 120 ILE HA H 120 4.965 5.319 -0.354 1
1 1427 . 12 1 1 A 120 120 ILE C C 120 173.341 174.424 -1.083 1
1 1428 . 12 1 1 A 120 120 ILE CA C 120 60.568 60.133 0.435 1
1 1429 . 12 1 1 A 120 120 ILE CB C 120 41.927 39.944 1.983 1
1 1433 . 12 1 1 A 120 120 ILE N N 120 123.000 128.473 -5.473 1
1 1434 . 12 1 1 A 121 121 GLU H H 121 9.074 9.156 -0.082 1
1 1435 . 12 1 1 A 121 121 GLU HA H 121 5.445 5.131 0.314 1
1 1440 . 12 1 1 A 121 121 GLU C C 121 175.254 174.755 0.499 1
1 1441 . 12 1 1 A 121 121 GLU CA C 121 53.941 54.608 -0.667 1
1 1442 . 12 1 1 A 121 121 GLU CB C 121 33.897 33.020 0.877 1
1 1444 . 12 1 1 A 121 121 GLU N N 121 128.221 128.826 -0.605 1
1 1445 . 12 1 1 A 122 122 LEU H H 122 8.112 8.711 -0.599 1
1 1446 . 12 1 1 A 122 122 LEU HA H 122 4.680 4.377 0.303 1
1 1456 . 12 1 1 A 122 122 LEU C C 122 174.472 176.879 -2.407 1
1 1457 . 12 1 1 A 122 122 LEU CA C 122 54.403 54.223 0.180 1
1 1458 . 12 1 1 A 122 122 LEU CB C 122 40.796 41.032 -0.236 1
1 1462 . 12 1 1 A 122 122 LEU N N 122 127.033 128.054 -1.021 1
1 1463 . 12 1 1 A 123 123 LEU H H 123 8.704 8.263 0.441 1
1 1464 . 12 1 1 A 123 123 LEU HA H 123 4.385 4.489 -0.104 1
1 1474 . 12 1 1 A 123 123 LEU C C 123 177.614 177.129 0.485 1
1 1475 . 12 1 1 A 123 123 LEU CA C 123 57.095 55.308 1.787 1
1 1476 . 12 1 1 A 123 123 LEU CB C 123 42.226 42.727 -0.501 1
1 1480 . 12 1 1 A 123 123 LEU N N 123 128.814 122.989 5.825 1
1 1481 . 12 1 1 A 124 124 SER H H 124 7.602 7.361 0.241 1
1 1482 . 12 1 1 A 124 124 SER HA H 124 4.161 5.112 -0.951 1
1 1485 . 12 1 1 A 124 124 SER C C 124 171.375 172.859 -1.484 1
1 1486 . 12 1 1 A 124 124 SER CA C 124 57.545 57.727 -0.182 1
1 1487 . 12 1 1 A 124 124 SER CB C 124 63.359 66.854 -3.495 1
1 1488 . 12 1 1 A 124 124 SER N N 124 105.653 114.856 -9.203 1
1 1489 . 12 1 1 A 125 125 PHE H H 125 7.818 8.990 -1.172 1
1 1490 . 12 1 1 A 125 125 PHE HA H 125 5.451 5.417 0.034 1
1 1498 . 12 1 1 A 125 125 PHE C C 125 173.154 173.292 -0.138 1
1 1499 . 12 1 1 A 125 125 PHE CA C 125 56.463 56.326 0.137 1
1 1500 . 12 1 1 A 125 125 PHE CB C 125 42.301 41.124 1.177 1
1 1501 . 12 1 1 A 125 125 PHE N N 125 113.373 120.502 -7.129 1
1 1502 . 12 1 1 A 126 126 ARG H H 126 8.934 8.827 0.107 1
1 1503 . 12 1 1 A 126 126 ARG HA H 126 4.693 4.773 -0.080 1
1 1510 . 12 1 1 A 126 126 ARG C C 126 174.013 174.137 -0.124 1
1 1511 . 12 1 1 A 126 126 ARG CA C 126 54.654 54.557 0.097 1
1 1512 . 12 1 1 A 126 126 ARG CB C 126 33.064 33.856 -0.792 1
1 1515 . 12 1 1 A 126 126 ARG N N 126 116.046 118.131 -2.085 1
1 1516 . 12 1 1 A 127 127 GLU H H 127 8.665 8.370 0.295 1
1 1517 . 12 1 1 A 127 127 GLU HA H 127 4.436 4.645 -0.209 1
1 1522 . 12 1 1 A 127 127 GLU C C 127 176.050 174.871 1.179 1
1 1523 . 12 1 1 A 127 127 GLU CA C 127 55.552 55.996 -0.444 1
1 1524 . 12 1 1 A 127 127 GLU CB C 127 30.600 30.522 0.078 1
1 1 . 13 1 1 A 2 2 THR HA H 2 4.479 4.148 0.331 1
1 6 . 13 1 1 A 2 2 THR C C 2 174.348 175.698 -1.350 1
1 7 . 13 1 1 A 2 2 THR CA C 2 61.838 64.113 -2.275 1
1 8 . 13 1 1 A 2 2 THR CB C 2 69.919 68.450 1.469 1
1 10 . 13 1 1 A 3 3 THR H H 3 8.289 8.586 -0.297 1
1 11 . 13 1 1 A 3 3 THR HA H 3 4.282 4.241 0.041 1
1 16 . 13 1 1 A 3 3 THR C C 3 174.404 174.555 -0.151 1
1 17 . 13 1 1 A 3 3 THR CA C 3 62.140 64.534 -2.394 1
1 18 . 13 1 1 A 3 3 THR CB C 3 69.658 69.354 0.304 1
1 20 . 13 1 1 A 3 3 THR N N 3 116.640 118.490 -1.850 1
1 21 . 13 1 1 A 4 4 GLU H H 4 8.567 8.034 0.533 1
1 22 . 13 1 1 A 4 4 GLU HA H 4 4.156 4.082 0.074 1
1 27 . 13 1 1 A 4 4 GLU C C 4 176.216 175.720 0.496 1
1 28 . 13 1 1 A 4 4 GLU CA C 4 56.929 57.105 -0.176 1
1 29 . 13 1 1 A 4 4 GLU CB C 4 29.821 28.542 1.279 1
1 31 . 13 1 1 A 4 4 GLU N N 4 123.469 117.109 6.360 1
1 32 . 13 1 1 A 5 5 GLN H H 5 8.222 7.933 0.289 1
1 33 . 13 1 1 A 5 5 GLN HA H 5 4.167 4.139 0.028 1
1 40 . 13 1 1 A 5 5 GLN C C 5 175.216 175.418 -0.202 1
1 41 . 13 1 1 A 5 5 GLN CA C 5 55.674 56.987 -1.313 1
1 42 . 13 1 1 A 5 5 GLN CB C 5 29.553 29.719 -0.166 1
1 45 . 13 1 1 A 5 5 GLN N N 5 120.797 120.131 0.666 1
1 47 . 13 1 1 A 6 6 GLU H H 6 8.171 8.369 -0.198 1
1 48 . 13 1 1 A 6 6 GLU HA H 6 4.080 4.217 -0.137 1
1 53 . 13 1 1 A 6 6 GLU C C 6 175.870 176.114 -0.244 1
1 54 . 13 1 1 A 6 6 GLU CA C 6 56.400 55.540 0.860 1
1 55 . 13 1 1 A 6 6 GLU CB C 6 30.335 29.105 1.230 1
1 57 . 13 1 1 A 6 6 GLU N N 6 122.100 121.801 0.299 1
1 58 . 13 1 1 A 7 7 PHE H H 7 8.051 7.350 0.701 1
1 59 . 13 1 1 A 7 7 PHE HA H 7 4.710 5.345 -0.635 1
1 67 . 13 1 1 A 7 7 PHE C C 7 175.461 173.778 1.683 1
1 68 . 13 1 1 A 7 7 PHE CA C 7 56.825 55.451 1.374 1
1 69 . 13 1 1 A 7 7 PHE CB C 7 39.812 41.409 -1.597 1
1 70 . 13 1 1 A 7 7 PHE N N 7 120.500 121.894 -1.394 1
1 71 . 13 1 1 A 8 8 GLU H H 8 8.626 9.000 -0.374 1
1 72 . 13 1 1 A 8 8 GLU HA H 8 4.193 4.911 -0.718 1
1 77 . 13 1 1 A 8 8 GLU C C 8 176.141 176.104 0.037 1
1 78 . 13 1 1 A 8 8 GLU CA C 8 56.932 54.966 1.966 1
1 79 . 13 1 1 A 8 8 GLU CB C 8 30.794 32.037 -1.243 1
1 81 . 13 1 1 A 8 8 GLU N N 8 123.469 122.000 1.469 1
1 82 . 13 1 1 A 9 9 LYS H H 9 8.396 8.510 -0.114 1
1 83 . 13 1 1 A 9 9 LYS HA H 9 5.100 4.545 0.555 1
1 92 . 13 1 1 A 9 9 LYS C C 9 176.168 176.291 -0.123 1
1 93 . 13 1 1 A 9 9 LYS CA C 9 55.428 56.229 -0.801 1
1 94 . 13 1 1 A 9 9 LYS CB C 9 34.214 33.310 0.904 1
1 98 . 13 1 1 A 9 9 LYS N N 9 124.954 125.682 -0.728 1
1 99 . 13 1 1 A 10 10 VAL H H 10 9.445 8.945 0.500 1
1 100 . 13 1 1 A 10 10 VAL HA H 10 4.278 4.515 -0.237 1
1 108 . 13 1 1 A 10 10 VAL C C 10 174.967 175.054 -0.087 1
1 109 . 13 1 1 A 10 10 VAL CA C 10 60.951 61.404 -0.453 1
1 110 . 13 1 1 A 10 10 VAL CB C 10 34.681 31.949 2.732 1
1 113 . 13 1 1 A 10 10 VAL N N 10 124.360 122.371 1.989 1
1 114 . 13 1 1 A 11 11 GLU H H 11 9.021 8.862 0.159 1
1 115 . 13 1 1 A 11 11 GLU HA H 11 4.369 4.683 -0.314 1
1 120 . 13 1 1 A 11 11 GLU C C 11 174.797 176.418 -1.621 1
1 121 . 13 1 1 A 11 11 GLU CA C 11 56.728 55.723 1.005 1
1 122 . 13 1 1 A 11 11 GLU CB C 11 28.655 29.266 -0.611 1
1 124 . 13 1 1 A 11 11 GLU N N 11 127.924 126.600 1.324 1
1 125 . 13 1 1 A 12 12 LEU H H 12 8.396 8.635 -0.239 1
1 126 . 13 1 1 A 12 12 LEU HA H 12 4.311 3.868 0.443 1
1 136 . 13 1 1 A 12 12 LEU C C 12 176.600 175.442 1.158 1
1 137 . 13 1 1 A 12 12 LEU CA C 12 55.292 55.744 -0.452 1
1 138 . 13 1 1 A 12 12 LEU CB C 12 42.624 40.480 2.144 1
1 142 . 13 1 1 A 12 12 LEU N N 12 124.954 121.709 3.245 1
1 143 . 13 1 1 A 13 13 THR H H 13 7.328 7.365 -0.037 1
1 144 . 13 1 1 A 13 13 THR HA H 13 4.530 4.446 0.084 1
1 149 . 13 1 1 A 13 13 THR C C 13 175.180 175.431 -0.251 1
1 150 . 13 1 1 A 13 13 THR CA C 13 59.603 61.561 -1.958 1
1 151 . 13 1 1 A 13 13 THR CB C 13 70.742 69.608 1.134 1
1 153 . 13 1 1 A 13 13 THR N N 13 106.841 112.349 -5.508 1
1 154 . 13 1 1 A 14 14 ALA H H 14 8.689 8.948 -0.259 1
1 155 . 13 1 1 A 14 14 ALA HA H 14 4.247 4.112 0.135 1
1 159 . 13 1 1 A 14 14 ALA C C 14 177.522 177.740 -0.218 1
1 160 . 13 1 1 A 14 14 ALA CA C 14 53.875 53.615 0.260 1
1 161 . 13 1 1 A 14 14 ALA CB C 14 17.920 18.730 -0.810 1
1 162 . 13 1 1 A 14 14 ALA N N 14 123.733 128.379 -4.646 1
1 163 . 13 1 1 A 15 15 ASP H H 15 7.516 7.809 -0.293 1
1 164 . 13 1 1 A 15 15 ASP HA H 15 4.518 4.709 -0.191 1
1 167 . 13 1 1 A 15 15 ASP C C 15 177.402 176.270 1.132 1
1 168 . 13 1 1 A 15 15 ASP CA C 15 52.635 53.943 -1.308 1
1 169 . 13 1 1 A 15 15 ASP CB C 15 40.912 41.213 -0.301 1
1 170 . 13 1 1 A 15 15 ASP N N 15 113.967 117.168 -3.201 1
1 171 . 13 1 1 A 16 16 GLY H H 16 7.986 7.572 0.414 1
1 172 . 13 1 1 A 16 16 GLY HA2 H 16 4.080 3.987 0.093 1
1 173 . 13 1 1 A 16 16 GLY HA3 H 16 3.529 4.000 -0.471 1
1 174 . 13 1 1 A 16 16 GLY C C 16 175.233 175.324 -0.091 1
1 175 . 13 1 1 A 16 16 GLY CA C 16 45.798 45.149 0.649 1
1 176 . 13 1 1 A 16 16 GLY N N 16 108.919 106.654 2.265 1
1 177 . 13 1 1 A 17 17 GLY H H 17 8.681 8.616 0.065 1
1 178 . 13 1 1 A 17 17 GLY HA2 H 17 4.513 3.932 0.581 1
1 179 . 13 1 1 A 17 17 GLY HA3 H 17 4.513 3.946 0.567 1
1 180 . 13 1 1 A 17 17 GLY C C 17 172.684 174.096 -1.412 1
1 181 . 13 1 1 A 17 17 GLY CA C 17 46.672 46.827 -0.155 1
1 182 . 13 1 1 A 17 17 GLY N N 17 108.663 106.996 1.667 1
1 183 . 13 1 1 A 18 18 VAL H H 18 6.903 7.484 -0.581 1
1 184 . 13 1 1 A 18 18 VAL HA H 18 4.855 4.307 0.548 1
1 192 . 13 1 1 A 18 18 VAL C C 18 174.737 174.430 0.307 1
1 193 . 13 1 1 A 18 18 VAL CA C 18 62.035 60.422 1.613 1
1 194 . 13 1 1 A 18 18 VAL CB C 18 33.315 35.394 -2.079 1
1 197 . 13 1 1 A 18 18 VAL N N 18 117.234 118.434 -1.200 1
1 198 . 13 1 1 A 19 19 ILE H H 19 8.243 8.417 -0.174 1
1 199 . 13 1 1 A 19 19 ILE HA H 19 4.665 4.867 -0.202 1
1 209 . 13 1 1 A 19 19 ILE C C 19 174.360 175.267 -0.907 1
1 210 . 13 1 1 A 19 19 ILE CA C 19 60.736 60.578 0.158 1
1 211 . 13 1 1 A 19 19 ILE CB C 19 41.856 37.401 4.455 1
1 215 . 13 1 1 A 19 19 ILE N N 19 126.439 127.182 -0.743 1
1 216 . 13 1 1 A 20 20 LYS H H 20 9.345 8.626 0.719 1
1 217 . 13 1 1 A 20 20 LYS HA H 20 5.296 4.977 0.319 1
1 226 . 13 1 1 A 20 20 LYS C C 20 173.618 174.663 -1.045 1
1 227 . 13 1 1 A 20 20 LYS CA C 20 54.842 54.481 0.361 1
1 228 . 13 1 1 A 20 20 LYS CB C 20 36.261 36.100 0.161 1
1 232 . 13 1 1 A 20 20 LYS N N 20 129.408 124.770 4.638 1
1 233 . 13 1 1 A 21 21 THR H H 21 9.597 9.235 0.362 1
1 234 . 13 1 1 A 21 21 THR HA H 21 4.923 4.859 0.064 1
1 239 . 13 1 1 A 21 21 THR C C 21 174.648 173.819 0.829 1
1 240 . 13 1 1 A 21 21 THR CA C 21 61.703 62.010 -0.307 1
1 241 . 13 1 1 A 21 21 THR CB C 21 70.230 69.950 0.280 1
1 243 . 13 1 1 A 21 21 THR N N 21 123.469 117.085 6.384 1
1 244 . 13 1 1 A 22 22 ILE H H 22 9.248 8.760 0.488 1
1 245 . 13 1 1 A 22 22 ILE HA H 22 3.637 4.289 -0.652 1
1 255 . 13 1 1 A 22 22 ILE C C 22 174.348 175.079 -0.731 1
1 256 . 13 1 1 A 22 22 ILE CA C 22 64.258 61.633 2.625 1
1 257 . 13 1 1 A 22 22 ILE CB C 22 37.551 38.848 -1.297 1
1 261 . 13 1 1 A 22 22 ILE N N 22 128.517 127.761 0.756 1
1 262 . 13 1 1 A 23 23 LEU H H 23 8.498 8.508 -0.010 1
1 263 . 13 1 1 A 23 23 LEU HA H 23 4.180 4.205 -0.025 1
1 273 . 13 1 1 A 23 23 LEU C C 23 177.521 177.071 0.450 1
1 274 . 13 1 1 A 23 23 LEU CA C 23 55.460 56.425 -0.965 1
1 275 . 13 1 1 A 23 23 LEU CB C 23 42.239 42.258 -0.019 1
1 279 . 13 1 1 A 23 23 LEU N N 23 128.517 130.514 -1.997 1
1 280 . 13 1 1 A 24 24 LYS H H 24 8.020 7.330 0.690 1
1 281 . 13 1 1 A 24 24 LYS HA H 24 4.392 4.928 -0.536 1
1 290 . 13 1 1 A 24 24 LYS C C 24 174.465 175.105 -0.640 1
1 291 . 13 1 1 A 24 24 LYS CA C 24 55.848 54.780 1.068 1
1 292 . 13 1 1 A 24 24 LYS CB C 24 35.692 35.259 0.433 1
1 296 . 13 1 1 A 24 24 LYS N N 24 120.797 117.790 3.007 1
1 297 . 13 1 1 A 25 25 LYS H H 25 8.657 8.631 0.026 1
1 298 . 13 1 1 A 25 25 LYS HA H 25 4.178 4.503 -0.325 1
1 307 . 13 1 1 A 25 25 LYS C C 25 177.616 177.720 -0.104 1
1 308 . 13 1 1 A 25 25 LYS CA C 25 57.218 55.611 1.607 1
1 309 . 13 1 1 A 25 25 LYS CB C 25 32.846 33.107 -0.261 1
1 313 . 13 1 1 A 25 25 LYS N N 25 126.439 126.652 -0.213 1
1 314 . 13 1 1 A 26 26 GLY H H 26 9.728 8.495 1.233 1
1 315 . 13 1 1 A 26 26 GLY HA2 H 26 3.408 4.056 -0.648 1
1 316 . 13 1 1 A 26 26 GLY HA3 H 26 4.120 4.062 0.058 1
1 317 . 13 1 1 A 26 26 GLY C C 26 173.278 174.319 -1.041 1
1 318 . 13 1 1 A 26 26 GLY CA C 26 43.709 45.305 -1.596 1
1 319 . 13 1 1 A 26 26 GLY N N 26 110.404 109.676 0.728 1
1 320 . 13 1 1 A 27 27 ASP H H 27 8.550 9.059 -0.509 1
1 321 . 13 1 1 A 27 27 ASP HA H 27 4.401 4.656 -0.255 1
1 324 . 13 1 1 A 27 27 ASP C C 27 175.993 176.045 -0.052 1
1 325 . 13 1 1 A 27 27 ASP CA C 27 55.105 56.205 -1.100 1
1 326 . 13 1 1 A 27 27 ASP CB C 27 41.688 40.978 0.710 1
1 327 . 13 1 1 A 27 27 ASP N N 27 121.391 121.299 0.092 1
1 328 . 13 1 1 A 28 28 GLU H H 28 8.419 8.131 0.288 1
1 329 . 13 1 1 A 28 28 GLU HA H 28 4.063 4.871 -0.808 1
1 334 . 13 1 1 A 28 28 GLU C C 28 176.146 175.467 0.679 1
1 335 . 13 1 1 A 28 28 GLU CA C 28 57.076 54.569 2.507 1
1 336 . 13 1 1 A 28 28 GLU CB C 28 30.774 33.412 -2.638 1
1 338 . 13 1 1 A 28 28 GLU N N 28 120.203 114.817 5.386 1
1 339 . 13 1 1 A 29 29 GLY H H 29 8.364 8.517 -0.153 1
1 340 . 13 1 1 A 29 29 GLY HA2 H 29 4.758 4.210 0.548 1
1 341 . 13 1 1 A 29 29 GLY HA3 H 29 4.584 4.216 0.368 1
1 342 . 13 1 1 A 29 29 GLY C C 29 175.976 174.692 1.284 1
1 343 . 13 1 1 A 29 29 GLY CA C 29 44.686 45.619 -0.933 1
1 344 . 13 1 1 A 29 29 GLY N N 29 110.404 108.004 2.400 1
1 345 . 13 1 1 A 30 30 GLU H H 30 8.867 8.682 0.185 1
1 346 . 13 1 1 A 30 30 GLU HA H 30 3.749 4.068 -0.319 1
1 351 . 13 1 1 A 30 30 GLU C C 30 177.872 178.006 -0.134 1
1 352 . 13 1 1 A 30 30 GLU CA C 30 59.045 58.732 0.313 1
1 353 . 13 1 1 A 30 30 GLU CB C 30 29.030 29.534 -0.504 1
1 355 . 13 1 1 A 30 30 GLU N N 30 125.251 122.591 2.660 1
1 356 . 13 1 1 A 31 31 GLU H H 31 9.842 8.309 1.533 1
1 357 . 13 1 1 A 31 31 GLU HA H 31 4.312 4.209 0.103 1
1 362 . 13 1 1 A 31 31 GLU C C 31 176.330 176.863 -0.533 1
1 363 . 13 1 1 A 31 31 GLU CA C 31 57.437 59.350 -1.913 1
1 364 . 13 1 1 A 31 31 GLU CB C 31 28.040 29.597 -1.557 1
1 366 . 13 1 1 A 31 31 GLU N N 31 118.421 116.419 2.002 1
1 367 . 13 1 1 A 32 32 ASN H H 32 7.731 7.819 -0.088 1
1 368 . 13 1 1 A 32 32 ASN HA H 32 5.127 5.131 -0.004 1
1 373 . 13 1 1 A 32 32 ASN C C 32 172.750 173.791 -1.041 1
1 374 . 13 1 1 A 32 32 ASN CA C 32 54.111 52.604 1.507 1
1 375 . 13 1 1 A 32 32 ASN CB C 32 40.161 37.409 2.752 1
1 376 . 13 1 1 A 32 32 ASN N N 32 116.937 116.832 0.105 1
1 378 . 13 1 1 A 33 33 ILE H H 33 7.105 7.838 -0.733 1
1 379 . 13 1 1 A 33 33 ILE HA H 33 4.793 4.556 0.237 1
1 389 . 13 1 1 A 33 33 ILE CA C 33 57.895 57.442 0.453 1
1 390 . 13 1 1 A 33 33 ILE CB C 33 40.609 41.681 -1.072 1
1 394 . 13 1 1 A 33 33 ILE N N 33 121.985 125.917 -3.932 1
1 395 . 13 1 1 A 34 34 PRO HA H 34 4.065 4.893 -0.828 1
1 402 . 13 1 1 A 34 34 PRO C C 34 173.754 176.265 -2.511 1
1 403 . 13 1 1 A 34 34 PRO CA C 34 61.962 62.579 -0.617 1
1 404 . 13 1 1 A 34 34 PRO CB C 34 31.877 32.146 -0.269 1
1 407 . 13 1 1 A 35 35 LYS H H 35 7.101 8.591 -1.490 1
1 408 . 13 1 1 A 35 35 LYS HA H 35 4.377 4.849 -0.472 1
1 417 . 13 1 1 A 35 35 LYS C C 35 175.712 176.342 -0.630 1
1 418 . 13 1 1 A 35 35 LYS CA C 35 53.404 54.562 -1.158 1
1 419 . 13 1 1 A 35 35 LYS CB C 35 35.229 35.975 -0.746 1
1 423 . 13 1 1 A 35 35 LYS N N 35 116.046 121.703 -5.657 1
1 424 . 13 1 1 A 36 36 LYS H H 36 8.144 8.150 -0.006 1
1 425 . 13 1 1 A 36 36 LYS HA H 36 3.515 4.265 -0.750 1
1 434 . 13 1 1 A 36 36 LYS C C 36 176.774 176.908 -0.134 1
1 435 . 13 1 1 A 36 36 LYS CA C 36 58.608 56.337 2.271 1
1 436 . 13 1 1 A 36 36 LYS CB C 36 32.089 33.050 -0.961 1
1 440 . 13 1 1 A 36 36 LYS N N 36 120.797 121.827 -1.030 1
1 441 . 13 1 1 A 37 37 GLY H H 37 9.113 8.973 0.140 1
1 442 . 13 1 1 A 37 37 GLY HA2 H 37 3.494 4.061 -0.567 1
1 443 . 13 1 1 A 37 37 GLY HA3 H 37 4.330 4.093 0.237 1
1 444 . 13 1 1 A 37 37 GLY C C 37 175.329 174.731 0.598 1
1 445 . 13 1 1 A 37 37 GLY CA C 37 44.853 45.037 -0.184 1
1 446 . 13 1 1 A 37 37 GLY N N 37 113.967 112.343 1.624 1
1 447 . 13 1 1 A 38 38 ASN H H 38 8.447 7.658 0.789 1
1 448 . 13 1 1 A 38 38 ASN HA H 38 4.663 4.923 -0.260 1
1 453 . 13 1 1 A 38 38 ASN C C 38 174.878 174.369 0.509 1
1 454 . 13 1 1 A 38 38 ASN CA C 38 53.557 52.896 0.661 1
1 455 . 13 1 1 A 38 38 ASN CB C 38 39.155 40.469 -1.314 1
1 457 . 13 1 1 A 38 38 ASN N N 38 117.828 119.194 -1.366 1
1 459 . 13 1 1 A 39 39 GLU H H 39 8.331 8.559 -0.228 1
1 460 . 13 1 1 A 39 39 GLU HA H 39 4.254 4.978 -0.724 1
1 465 . 13 1 1 A 39 39 GLU C C 39 175.656 176.180 -0.524 1
1 466 . 13 1 1 A 39 39 GLU CA C 39 55.804 55.569 0.235 1
1 467 . 13 1 1 A 39 39 GLU CB C 39 31.464 31.137 0.327 1
1 469 . 13 1 1 A 39 39 GLU N N 39 121.094 120.842 0.252 1
1 470 . 13 1 1 A 40 40 VAL H H 40 9.138 9.102 0.036 1
1 471 . 13 1 1 A 40 40 VAL HA H 40 4.699 5.152 -0.453 1
1 479 . 13 1 1 A 40 40 VAL C C 40 173.240 174.816 -1.576 1
1 480 . 13 1 1 A 40 40 VAL CA C 40 59.559 59.266 0.293 1
1 481 . 13 1 1 A 40 40 VAL CB C 40 32.896 36.434 -3.538 1
1 484 . 13 1 1 A 40 40 VAL N N 40 125.845 119.546 6.299 1
1 485 . 13 1 1 A 41 41 THR H H 41 8.328 8.667 -0.339 1
1 486 . 13 1 1 A 41 41 THR HA H 41 4.982 4.940 0.042 1
1 491 . 13 1 1 A 41 41 THR C C 41 174.455 173.710 0.745 1
1 492 . 13 1 1 A 41 41 THR CA C 41 61.964 61.466 0.498 1
1 493 . 13 1 1 A 41 41 THR CB C 41 69.623 71.117 -1.494 1
1 495 . 13 1 1 A 41 41 THR N N 41 117.531 116.622 0.909 1
1 496 . 13 1 1 A 42 42 VAL H H 42 9.581 8.722 0.859 1
1 497 . 13 1 1 A 42 42 VAL HA H 42 5.669 5.172 0.497 1
1 505 . 13 1 1 A 42 42 VAL C C 42 174.919 174.339 0.580 1
1 506 . 13 1 1 A 42 42 VAL CA C 42 57.930 58.973 -1.043 1
1 507 . 13 1 1 A 42 42 VAL CB C 42 35.321 35.652 -0.331 1
1 510 . 13 1 1 A 42 42 VAL N N 42 117.828 119.091 -1.263 1
1 511 . 13 1 1 A 43 43 HIS H H 43 8.333 8.736 -0.403 1
1 512 . 13 1 1 A 43 43 HIS HA H 43 5.407 5.575 -0.168 1
1 515 . 13 1 1 A 43 43 HIS C C 43 176.136 174.053 2.083 1
1 516 . 13 1 1 A 43 43 HIS CA C 43 54.147 53.891 0.256 1
1 517 . 13 1 1 A 43 43 HIS CB C 43 35.339 32.192 3.147 1
1 518 . 13 1 1 A 43 43 HIS N N 43 119.906 120.970 -1.064 1
1 519 . 13 1 1 A 44 44 TYR H H 44 9.622 8.578 1.044 1
1 520 . 13 1 1 A 44 44 TYR HA H 44 6.247 6.403 -0.156 1
1 527 . 13 1 1 A 44 44 TYR C C 44 172.857 173.877 -1.020 1
1 528 . 13 1 1 A 44 44 TYR CA C 44 56.304 55.500 0.804 1
1 529 . 13 1 1 A 44 44 TYR CB C 44 43.537 42.348 1.189 1
1 530 . 13 1 1 A 44 44 TYR N N 44 117.234 117.398 -0.164 1
1 531 . 13 1 1 A 45 45 VAL H H 45 8.735 8.894 -0.159 1
1 532 . 13 1 1 A 45 45 VAL HA H 45 4.520 4.782 -0.262 1
1 540 . 13 1 1 A 45 45 VAL C C 45 175.200 174.687 0.513 1
1 541 . 13 1 1 A 45 45 VAL CA C 45 62.212 60.442 1.770 1
1 542 . 13 1 1 A 45 45 VAL CB C 45 35.550 34.930 0.620 1
1 545 . 13 1 1 A 45 45 VAL N N 45 118.125 119.868 -1.743 1
1 546 . 13 1 1 A 46 46 GLY H H 46 9.126 8.113 1.013 1
1 547 . 13 1 1 A 46 46 GLY HA2 H 46 4.539 4.087 0.452 1
1 548 . 13 1 1 A 46 46 GLY HA3 H 46 4.506 4.164 0.342 1
1 549 . 13 1 1 A 46 46 GLY C C 46 170.771 171.789 -1.018 1
1 550 . 13 1 1 A 46 46 GLY CA C 46 45.601 46.025 -0.424 1
1 551 . 13 1 1 A 46 46 GLY N N 46 114.858 111.261 3.597 1
1 552 . 13 1 1 A 47 47 LYS H H 47 9.121 8.160 0.961 1
1 553 . 13 1 1 A 47 47 LYS HA H 47 5.176 4.986 0.190 1
1 562 . 13 1 1 A 47 47 LYS C C 47 175.830 174.252 1.578 1
1 563 . 13 1 1 A 47 47 LYS CA C 47 53.937 54.270 -0.333 1
1 564 . 13 1 1 A 47 47 LYS CB C 47 37.021 36.508 0.513 1
1 568 . 13 1 1 A 47 47 LYS N N 47 123.469 119.627 3.842 1
1 569 . 13 1 1 A 48 48 LEU H H 48 8.016 9.355 -1.339 1
1 570 . 13 1 1 A 48 48 LEU HA H 48 4.692 4.623 0.069 1
1 580 . 13 1 1 A 48 48 LEU C C 48 178.031 176.604 1.427 1
1 581 . 13 1 1 A 48 48 LEU CA C 48 54.231 54.070 0.161 1
1 582 . 13 1 1 A 48 48 LEU CB C 48 41.678 42.614 -0.936 1
1 586 . 13 1 1 A 48 48 LEU N N 48 121.391 122.923 -1.532 1
1 587 . 13 1 1 A 49 49 GLU H H 49 8.085 8.639 -0.554 1
1 588 . 13 1 1 A 49 49 GLU HA H 49 3.835 3.970 -0.135 1
1 593 . 13 1 1 A 49 49 GLU C C 49 178.118 177.804 0.314 1
1 594 . 13 1 1 A 49 49 GLU CA C 49 59.974 59.102 0.872 1
1 595 . 13 1 1 A 49 49 GLU CB C 49 30.322 29.525 0.797 1
1 597 . 13 1 1 A 49 49 GLU N N 49 124.954 127.177 -2.223 1
1 598 . 13 1 1 A 50 50 SER H H 50 9.220 8.107 1.113 1
1 599 . 13 1 1 A 50 50 SER HA H 50 4.154 4.234 -0.080 1
1 602 . 13 1 1 A 50 50 SER C C 50 176.751 175.476 1.275 1
1 603 . 13 1 1 A 50 50 SER CA C 50 60.230 61.364 -1.134 1
1 604 . 13 1 1 A 50 50 SER CB C 50 62.229 63.397 -1.168 1
1 605 . 13 1 1 A 50 50 SER N N 50 112.186 115.385 -3.199 1
1 606 . 13 1 1 A 51 51 THR H H 51 6.784 7.774 -0.990 1
1 607 . 13 1 1 A 51 51 THR HA H 51 4.520 4.597 -0.077 1
1 612 . 13 1 1 A 51 51 THR C C 51 176.342 175.080 1.262 1
1 613 . 13 1 1 A 51 51 THR CA C 51 60.760 62.377 -1.617 1
1 614 . 13 1 1 A 51 51 THR CB C 51 71.046 71.274 -0.228 1
1 616 . 13 1 1 A 51 51 THR N N 51 105.653 112.267 -6.614 1
1 617 . 13 1 1 A 52 52 GLY H H 52 8.296 8.841 -0.545 1
1 618 . 13 1 1 A 52 52 GLY HA2 H 52 3.680 3.942 -0.262 1
1 619 . 13 1 1 A 52 52 GLY HA3 H 52 4.096 3.943 0.153 1
1 620 . 13 1 1 A 52 52 GLY C C 52 173.336 174.097 -0.761 1
1 621 . 13 1 1 A 52 52 GLY CA C 52 45.711 46.035 -0.324 1
1 622 . 13 1 1 A 52 52 GLY N N 52 112.483 110.324 2.159 1
1 623 . 13 1 1 A 53 53 LYS H H 53 7.479 7.642 -0.163 1
1 624 . 13 1 1 A 53 53 LYS HA H 53 4.218 4.705 -0.487 1
1 633 . 13 1 1 A 53 53 LYS C C 53 176.513 175.374 1.139 1
1 634 . 13 1 1 A 53 53 LYS CA C 53 56.217 54.571 1.646 1
1 635 . 13 1 1 A 53 53 LYS CB C 53 33.430 34.944 -1.514 1
1 639 . 13 1 1 A 53 53 LYS N N 53 119.609 119.328 0.281 1
1 640 . 13 1 1 A 54 54 VAL H H 54 8.511 8.474 0.037 1
1 641 . 13 1 1 A 54 54 VAL HA H 54 4.244 4.276 -0.032 1
1 649 . 13 1 1 A 54 54 VAL C C 54 176.879 176.489 0.390 1
1 650 . 13 1 1 A 54 54 VAL CA C 54 62.409 62.310 0.099 1
1 651 . 13 1 1 A 54 54 VAL CB C 54 32.697 32.859 -0.162 1
1 654 . 13 1 1 A 54 54 VAL N N 54 126.109 125.219 0.890 1
1 655 . 13 1 1 A 55 55 PHE H H 55 8.325 8.652 -0.327 1
1 656 . 13 1 1 A 55 55 PHE HA H 55 5.036 4.773 0.263 1
1 664 . 13 1 1 A 55 55 PHE C C 55 174.856 174.866 -0.010 1
1 665 . 13 1 1 A 55 55 PHE CA C 55 55.758 58.728 -2.970 1
1 666 . 13 1 1 A 55 55 PHE CB C 55 40.399 40.143 0.256 1
1 667 . 13 1 1 A 55 55 PHE N N 55 124.063 126.223 -2.160 1
1 668 . 13 1 1 A 56 56 ASP H H 56 6.884 8.910 -2.026 1
1 669 . 13 1 1 A 56 56 ASP HA H 56 4.801 5.122 -0.321 1
1 672 . 13 1 1 A 56 56 ASP C C 56 173.688 174.606 -0.918 1
1 673 . 13 1 1 A 56 56 ASP CA C 56 54.956 53.304 1.652 1
1 674 . 13 1 1 A 56 56 ASP CB C 56 43.616 41.666 1.950 1
1 675 . 13 1 1 A 56 56 ASP N N 56 120.500 124.922 -4.422 1
1 676 . 13 1 1 A 57 57 SER H H 57 8.038 9.428 -1.390 1
1 677 . 13 1 1 A 57 57 SER HA H 57 4.796 4.907 -0.111 1
1 680 . 13 1 1 A 57 57 SER C C 57 174.997 174.227 0.770 1
1 681 . 13 1 1 A 57 57 SER CA C 57 55.792 57.467 -1.675 1
1 682 . 13 1 1 A 57 57 SER CB C 57 64.961 65.872 -0.911 1
1 683 . 13 1 1 A 57 57 SER N N 57 118.421 121.727 -3.306 1
1 684 . 13 1 1 A 58 58 SER H H 58 8.429 9.041 -0.612 1
1 685 . 13 1 1 A 58 58 SER HA H 58 4.080 4.020 0.060 1
1 688 . 13 1 1 A 58 58 SER C C 58 177.399 175.597 1.802 1
1 689 . 13 1 1 A 58 58 SER CA C 58 61.499 61.420 0.079 1
1 690 . 13 1 1 A 58 58 SER CB C 58 65.069 62.734 2.335 1
1 691 . 13 1 1 A 58 58 SER N N 58 123.766 120.284 3.482 1
1 692 . 13 1 1 A 59 59 PHE H H 59 7.276 7.445 -0.169 1
1 693 . 13 1 1 A 59 59 PHE HA H 59 3.851 4.441 -0.590 1
1 701 . 13 1 1 A 59 59 PHE C C 59 178.929 178.404 0.525 1
1 702 . 13 1 1 A 59 59 PHE CA C 59 61.010 60.065 0.945 1
1 703 . 13 1 1 A 59 59 PHE CB C 59 38.129 39.971 -1.842 1
1 704 . 13 1 1 A 59 59 PHE N N 59 121.845 118.621 3.224 1
1 705 . 13 1 1 A 60 60 ASP H H 60 7.534 8.770 -1.236 1
1 706 . 13 1 1 A 60 60 ASP HA H 60 4.343 4.461 -0.118 1
1 709 . 13 1 1 A 60 60 ASP C C 60 177.295 177.764 -0.469 1
1 710 . 13 1 1 A 60 60 ASP CA C 60 56.921 56.819 0.102 1
1 711 . 13 1 1 A 60 60 ASP CB C 60 40.298 39.965 0.333 1
1 712 . 13 1 1 A 60 60 ASP N N 60 119.015 120.074 -1.059 1
1 713 . 13 1 1 A 61 61 ARG H H 61 7.224 8.091 -0.867 1
1 714 . 13 1 1 A 61 61 ARG HA H 61 4.378 4.175 0.203 1
1 721 . 13 1 1 A 61 61 ARG C C 61 175.798 177.267 -1.469 1
1 722 . 13 1 1 A 61 61 ARG CA C 61 55.209 57.656 -2.447 1
1 723 . 13 1 1 A 61 61 ARG CB C 61 32.610 29.971 2.639 1
1 726 . 13 1 1 A 61 61 ARG N N 61 115.452 118.608 -3.156 1
1 727 . 13 1 1 A 62 62 ASN H H 62 7.946 8.304 -0.358 1
1 728 . 13 1 1 A 62 62 ASN HA H 62 4.392 4.973 -0.581 1
1 733 . 13 1 1 A 62 62 ASN C C 62 173.776 174.802 -1.026 1
1 734 . 13 1 1 A 62 62 ASN CA C 62 54.269 54.842 -0.573 1
1 735 . 13 1 1 A 62 62 ASN CB C 62 38.597 40.662 -2.065 1
1 737 . 13 1 1 A 62 62 ASN N N 62 115.196 117.633 -2.437 1
1 739 . 13 1 1 A 63 63 VAL H H 63 7.278 8.081 -0.803 1
1 740 . 13 1 1 A 63 63 VAL HA H 63 4.628 4.503 0.125 1
1 748 . 13 1 1 A 63 63 VAL CA C 63 62.601 58.433 4.168 1
1 749 . 13 1 1 A 63 63 VAL CB C 63 35.186 34.834 0.352 1
1 752 . 13 1 1 A 63 63 VAL N N 63 115.155 116.737 -1.582 1
1 753 . 13 1 1 A 64 64 PRO HA H 64 4.516 4.710 -0.194 1
1 760 . 13 1 1 A 64 64 PRO C C 64 174.254 176.262 -2.008 1
1 761 . 13 1 1 A 64 64 PRO CA C 64 62.601 62.276 0.325 1
1 762 . 13 1 1 A 64 64 PRO CB C 64 31.977 32.425 -0.448 1
1 765 . 13 1 1 A 65 65 PHE H H 65 9.109 8.407 0.702 1
1 766 . 13 1 1 A 65 65 PHE HA H 65 4.821 5.016 -0.195 1
1 774 . 13 1 1 A 65 65 PHE C C 65 173.320 174.280 -0.960 1
1 775 . 13 1 1 A 65 65 PHE CA C 65 57.292 57.004 0.288 1
1 776 . 13 1 1 A 65 65 PHE CB C 65 42.894 42.187 0.707 1
1 777 . 13 1 1 A 65 65 PHE N N 65 123.469 121.948 1.521 1
1 778 . 13 1 1 A 66 66 LYS H H 66 7.474 8.284 -0.810 1
1 779 . 13 1 1 A 66 66 LYS HA H 66 5.378 5.407 -0.029 1
1 788 . 13 1 1 A 66 66 LYS C C 66 175.026 174.870 0.156 1
1 789 . 13 1 1 A 66 66 LYS CA C 66 53.876 54.361 -0.485 1
1 790 . 13 1 1 A 66 66 LYS CB C 66 35.471 35.689 -0.218 1
1 794 . 13 1 1 A 66 66 LYS N N 66 125.548 122.250 3.298 1
1 795 . 13 1 1 A 67 67 PHE H H 67 8.114 7.787 0.327 1
1 796 . 13 1 1 A 67 67 PHE HA H 67 4.469 5.275 -0.806 1
1 804 . 13 1 1 A 67 67 PHE C C 67 172.049 173.487 -1.438 1
1 805 . 13 1 1 A 67 67 PHE CA C 67 55.662 54.880 0.782 1
1 806 . 13 1 1 A 67 67 PHE CB C 67 40.087 41.837 -1.750 1
1 807 . 13 1 1 A 67 67 PHE N N 67 115.419 117.381 -1.962 1
1 808 . 13 1 1 A 68 68 HIS H H 68 8.983 8.824 0.159 1
1 809 . 13 1 1 A 68 68 HIS HA H 68 5.482 5.062 0.420 1
1 812 . 13 1 1 A 68 68 HIS C C 68 174.742 174.891 -0.149 1
1 813 . 13 1 1 A 68 68 HIS CA C 68 55.348 54.228 1.120 1
1 814 . 13 1 1 A 68 68 HIS CB C 68 28.470 33.100 -4.630 1
1 815 . 13 1 1 A 68 68 HIS N N 68 118.421 115.638 2.783 1
1 816 . 13 1 1 A 69 69 LEU H H 69 8.317 8.452 -0.135 1
1 817 . 13 1 1 A 69 69 LEU HA H 69 4.016 4.340 -0.324 1
1 827 . 13 1 1 A 69 69 LEU CA C 69 56.060 55.429 0.631 1
1 828 . 13 1 1 A 69 69 LEU CB C 69 42.903 43.257 -0.354 1
1 832 . 13 1 1 A 69 69 LEU N N 69 126.736 124.682 2.054 1
1 833 . 13 1 1 A 70 70 GLU H H 70 9.618 8.329 1.289 1
1 834 . 13 1 1 A 70 70 GLU HA H 70 3.847 4.271 -0.424 1
1 839 . 13 1 1 A 70 70 GLU C C 70 174.818 176.836 -2.018 1
1 840 . 13 1 1 A 70 70 GLU CA C 70 58.625 57.697 0.928 1
1 841 . 13 1 1 A 70 70 GLU CB C 70 27.456 29.850 -2.394 1
1 843 . 13 1 1 A 70 70 GLU N N 70 124.954 122.258 2.696 1
1 844 . 13 1 1 A 71 71 GLN H H 71 8.248 8.921 -0.673 1
1 845 . 13 1 1 A 71 71 GLN HA H 71 4.678 4.702 -0.024 1
1 852 . 13 1 1 A 71 71 GLN CA C 71 54.218 54.816 -0.598 1
1 853 . 13 1 1 A 71 71 GLN CB C 71 30.422 29.319 1.103 1
1 856 . 13 1 1 A 71 71 GLN N N 71 114.858 124.123 -9.265 1
1 858 . 13 1 1 A 72 72 GLY H H 72 8.362 8.164 0.198 1
1 859 . 13 1 1 A 72 72 GLY HA2 H 72 4.145 4.050 0.095 1
1 860 . 13 1 1 A 72 72 GLY HA3 H 72 4.059 4.064 -0.005 1
1 861 . 13 1 1 A 72 72 GLY C C 72 175.783 175.822 -0.039 1
1 862 . 13 1 1 A 72 72 GLY CA C 72 46.838 45.458 1.380 1
1 863 . 13 1 1 A 72 72 GLY N N 72 110.404 109.933 0.471 1
1 864 . 13 1 1 A 73 73 GLU H H 73 9.085 8.657 0.428 1
1 865 . 13 1 1 A 73 73 GLU HA H 73 4.187 4.308 -0.121 1
1 870 . 13 1 1 A 73 73 GLU C C 73 175.522 176.701 -1.179 1
1 871 . 13 1 1 A 73 73 GLU CA C 73 57.443 58.354 -0.911 1
1 872 . 13 1 1 A 73 73 GLU CB C 73 31.378 30.563 0.815 1
1 874 . 13 1 1 A 73 73 GLU N N 73 118.421 118.196 0.225 1
1 875 . 13 1 1 A 74 74 VAL H H 74 6.862 7.493 -0.631 1
1 876 . 13 1 1 A 74 74 VAL HA H 74 4.281 4.297 -0.016 1
1 884 . 13 1 1 A 74 74 VAL C C 74 175.773 175.672 0.101 1
1 885 . 13 1 1 A 74 74 VAL CA C 74 57.468 61.139 -3.671 1
1 886 . 13 1 1 A 74 74 VAL CB C 74 36.344 33.075 3.269 1
1 889 . 13 1 1 A 74 74 VAL N N 74 108.919 117.025 -8.106 1
1 890 . 13 1 1 A 75 75 ILE H H 75 7.462 9.037 -1.575 1
1 891 . 13 1 1 A 75 75 ILE HA H 75 3.844 4.247 -0.403 1
1 901 . 13 1 1 A 75 75 ILE C C 75 177.618 177.180 0.438 1
1 902 . 13 1 1 A 75 75 ILE CA C 75 62.213 62.191 0.022 1
1 903 . 13 1 1 A 75 75 ILE CB C 75 37.337 38.011 -0.674 1
1 907 . 13 1 1 A 75 75 ILE N N 75 113.373 123.691 -10.318 1
1 908 . 13 1 1 A 76 76 LYS H H 76 9.047 8.065 0.982 1
1 909 . 13 1 1 A 76 76 LYS HA H 76 4.282 4.440 -0.158 1
1 918 . 13 1 1 A 76 76 LYS C C 76 180.009 178.164 1.845 1
1 919 . 13 1 1 A 76 76 LYS CA C 76 59.482 57.048 2.434 1
1 920 . 13 1 1 A 76 76 LYS CB C 76 32.740 34.854 -2.114 1
1 924 . 13 1 1 A 76 76 LYS N N 76 124.954 120.841 4.113 1
1 925 . 13 1 1 A 77 77 GLY H H 77 9.775 8.358 1.417 1
1 926 . 13 1 1 A 77 77 GLY HA2 H 77 3.786 3.329 0.457 1
1 927 . 13 1 1 A 77 77 GLY HA3 H 77 3.618 3.332 0.286 1
1 928 . 13 1 1 A 77 77 GLY C C 77 175.261 176.403 -1.142 1
1 929 . 13 1 1 A 77 77 GLY CA C 77 47.402 47.051 0.351 1
1 930 . 13 1 1 A 77 77 GLY N N 77 101.199 108.068 -6.869 1
1 931 . 13 1 1 A 78 78 TRP H H 78 7.817 7.867 -0.050 1
1 932 . 13 1 1 A 78 78 TRP HA H 78 4.017 4.786 -0.769 1
1 940 . 13 1 1 A 78 78 TRP C C 78 177.610 178.004 -0.394 1
1 941 . 13 1 1 A 78 78 TRP CA C 78 61.524 60.295 1.229 1
1 942 . 13 1 1 A 78 78 TRP CB C 78 28.655 29.129 -0.474 1
1 943 . 13 1 1 A 78 78 TRP N N 78 120.203 122.429 -2.226 1
1 944 . 13 1 1 A 79 79 ASP H H 79 6.967 8.362 -1.395 1
1 945 . 13 1 1 A 79 79 ASP HA H 79 4.738 4.449 0.289 1
1 948 . 13 1 1 A 79 79 ASP C C 79 179.125 178.676 0.449 1
1 949 . 13 1 1 A 79 79 ASP CA C 79 58.492 57.690 0.802 1
1 950 . 13 1 1 A 79 79 ASP CB C 79 41.181 41.537 -0.356 1
1 951 . 13 1 1 A 79 79 ASP N N 79 121.688 120.278 1.410 1
1 952 . 13 1 1 A 80 80 ILE H H 80 8.173 7.952 0.221 1
1 953 . 13 1 1 A 80 80 ILE HA H 80 3.617 4.624 -1.007 1
1 963 . 13 1 1 A 80 80 ILE C C 80 177.849 178.399 -0.550 1
1 964 . 13 1 1 A 80 80 ILE CA C 80 64.758 65.118 -0.360 1
1 965 . 13 1 1 A 80 80 ILE CB C 80 39.198 37.377 1.821 1
1 969 . 13 1 1 A 80 80 ILE N N 80 118.125 118.645 -0.520 1
1 970 . 13 1 1 A 81 81 CYS H H 81 7.961 7.736 0.225 1
1 971 . 13 1 1 A 81 81 CYS HA H 81 4.456 4.188 0.268 1
1 974 . 13 1 1 A 81 81 CYS C C 81 178.812 176.780 2.032 1
1 975 . 13 1 1 A 81 81 CYS CA C 81 63.059 62.154 0.905 1
1 976 . 13 1 1 A 81 81 CYS CB C 81 27.732 27.533 0.199 1
1 977 . 13 1 1 A 81 81 CYS N N 81 116.937 121.342 -4.405 1
1 978 . 13 1 1 A 82 82 VAL H H 82 9.434 8.500 0.934 1
1 979 . 13 1 1 A 82 82 VAL HA H 82 3.476 3.845 -0.369 1
1 987 . 13 1 1 A 82 82 VAL C C 82 176.456 177.469 -1.013 1
1 988 . 13 1 1 A 82 82 VAL CA C 82 66.977 65.126 1.851 1
1 989 . 13 1 1 A 82 82 VAL CB C 82 30.171 31.750 -1.579 1
1 992 . 13 1 1 A 82 82 VAL N N 82 121.688 119.089 2.599 1
1 993 . 13 1 1 A 83 83 SER H H 83 7.541 8.096 -0.555 1
1 994 . 13 1 1 A 83 83 SER HA H 83 3.964 4.456 -0.492 1
1 997 . 13 1 1 A 83 83 SER C C 83 173.661 175.074 -1.413 1
1 998 . 13 1 1 A 83 83 SER CA C 83 61.551 58.703 2.848 1
1 999 . 13 1 1 A 83 83 SER CB C 83 63.239 63.466 -0.227 1
1 1000 . 13 1 1 A 83 83 SER N N 83 111.889 116.494 -4.605 1
1 1001 . 13 1 1 A 84 84 SER H H 84 7.471 8.225 -0.754 1
1 1002 . 13 1 1 A 84 84 SER HA H 84 4.530 4.742 -0.212 1
1 1005 . 13 1 1 A 84 84 SER C C 84 174.314 173.626 0.688 1
1 1006 . 13 1 1 A 84 84 SER CA C 84 58.440 57.032 1.408 1
1 1007 . 13 1 1 A 84 84 SER CB C 84 65.929 64.159 1.770 1
1 1008 . 13 1 1 A 84 84 SER N N 84 114.264 115.791 -1.527 1
1 1009 . 13 1 1 A 85 85 MET H H 85 7.441 7.509 -0.068 1
1 1010 . 13 1 1 A 85 85 MET HA H 85 4.262 5.460 -1.198 1
1 1015 . 13 1 1 A 85 85 MET C C 85 172.768 174.391 -1.623 1
1 1016 . 13 1 1 A 85 85 MET CA C 85 56.502 53.929 2.573 1
1 1017 . 13 1 1 A 85 85 MET CB C 85 36.378 35.751 0.627 1
1 1019 . 13 1 1 A 85 85 MET N N 85 124.657 120.372 4.285 1
1 1020 . 13 1 1 A 86 86 ARG H H 86 7.045 8.378 -1.333 1
1 1021 . 13 1 1 A 86 86 ARG HA H 86 4.879 4.690 0.189 1
1 1028 . 13 1 1 A 86 86 ARG C C 86 177.468 176.447 1.021 1
1 1029 . 13 1 1 A 86 86 ARG CA C 86 53.395 53.633 -0.238 1
1 1030 . 13 1 1 A 86 86 ARG CB C 86 33.244 33.356 -0.112 1
1 1033 . 13 1 1 A 86 86 ARG N N 86 114.264 118.296 -4.032 1
1 1034 . 13 1 1 A 87 87 LYS H H 87 8.818 8.583 0.235 1
1 1035 . 13 1 1 A 87 87 LYS HA H 87 3.554 3.939 -0.385 1
1 1044 . 13 1 1 A 87 87 LYS C C 87 175.382 177.264 -1.882 1
1 1045 . 13 1 1 A 87 87 LYS CA C 87 60.175 58.423 1.752 1
1 1046 . 13 1 1 A 87 87 LYS CB C 87 33.195 32.564 0.631 1
1 1050 . 13 1 1 A 87 87 LYS N N 87 121.391 122.875 -1.484 1
1 1051 . 13 1 1 A 88 88 ASN H H 88 8.943 7.864 1.079 1
1 1052 . 13 1 1 A 88 88 ASN HA H 88 4.291 5.008 -0.717 1
1 1057 . 13 1 1 A 88 88 ASN C C 88 174.124 174.068 0.056 1
1 1058 . 13 1 1 A 88 88 ASN CA C 88 56.703 52.941 3.762 1
1 1059 . 13 1 1 A 88 88 ASN CB C 88 36.677 40.080 -3.403 1
1 1060 . 13 1 1 A 88 88 ASN N N 88 116.640 114.836 1.804 1
1 1062 . 13 1 1 A 89 89 GLU H H 89 8.677 7.449 1.228 1
1 1063 . 13 1 1 A 89 89 GLU HA H 89 4.358 5.014 -0.656 1
1 1068 . 13 1 1 A 89 89 GLU C C 89 174.903 174.612 0.291 1
1 1069 . 13 1 1 A 89 89 GLU CA C 89 56.190 54.970 1.220 1
1 1070 . 13 1 1 A 89 89 GLU CB C 89 33.096 33.219 -0.123 1
1 1072 . 13 1 1 A 89 89 GLU N N 89 122.876 121.033 1.843 1
1 1073 . 13 1 1 A 90 90 LYS H H 90 8.580 8.606 -0.026 1
1 1074 . 13 1 1 A 90 90 LYS HA H 90 5.542 4.850 0.692 1
1 1083 . 13 1 1 A 90 90 LYS C C 90 175.593 174.885 0.708 1
1 1084 . 13 1 1 A 90 90 LYS CA C 90 54.210 55.951 -1.741 1
1 1085 . 13 1 1 A 90 90 LYS CB C 90 36.189 36.048 0.141 1
1 1089 . 13 1 1 A 90 90 LYS N N 90 123.469 124.266 -0.797 1
1 1090 . 13 1 1 A 91 91 CYS H H 91 9.673 8.958 0.715 1
1 1091 . 13 1 1 A 91 91 CYS HA H 91 5.524 5.298 0.226 1
1 1094 . 13 1 1 A 91 91 CYS C C 91 170.527 172.841 -2.314 1
1 1095 . 13 1 1 A 91 91 CYS CA C 91 54.690 56.591 -1.901 1
1 1096 . 13 1 1 A 91 91 CYS CB C 91 32.542 31.365 1.177 1
1 1097 . 13 1 1 A 91 91 CYS N N 91 122.579 124.661 -2.082 1
1 1098 . 13 1 1 A 92 92 LEU H H 92 8.984 8.706 0.278 1
1 1099 . 13 1 1 A 92 92 LEU HA H 92 5.458 5.057 0.401 1
1 1109 . 13 1 1 A 92 92 LEU C C 92 175.596 175.698 -0.102 1
1 1110 . 13 1 1 A 92 92 LEU CA C 92 53.413 53.500 -0.087 1
1 1111 . 13 1 1 A 92 92 LEU CB C 92 44.972 42.788 2.184 1
1 1115 . 13 1 1 A 92 92 LEU N N 92 122.282 121.615 0.667 1
1 1116 . 13 1 1 A 93 93 VAL H H 93 10.107 9.111 0.996 1
1 1117 . 13 1 1 A 93 93 VAL HA H 93 5.506 4.494 1.012 1
1 1125 . 13 1 1 A 93 93 VAL C C 93 171.051 174.541 -3.490 1
1 1126 . 13 1 1 A 93 93 VAL CA C 93 58.200 61.101 -2.901 1
1 1127 . 13 1 1 A 93 93 VAL CB C 93 35.276 34.246 1.030 1
1 1130 . 13 1 1 A 93 93 VAL N N 93 126.224 125.841 0.383 1
1 1131 . 13 1 1 A 94 94 ARG H H 94 8.949 8.963 -0.014 1
1 1132 . 13 1 1 A 94 94 ARG HA H 94 5.133 4.762 0.371 1
1 1139 . 13 1 1 A 94 94 ARG C C 94 175.823 174.870 0.953 1
1 1140 . 13 1 1 A 94 94 ARG CA C 94 56.219 55.007 1.212 1
1 1141 . 13 1 1 A 94 94 ARG CB C 94 32.039 32.090 -0.051 1
1 1144 . 13 1 1 A 94 94 ARG N N 94 130.596 126.335 4.261 1
1 1145 . 13 1 1 A 95 95 ILE H H 95 9.655 8.632 1.023 1
1 1146 . 13 1 1 A 95 95 ILE HA H 95 4.899 4.536 0.363 1
1 1156 . 13 1 1 A 95 95 ILE C C 95 175.215 175.307 -0.092 1
1 1157 . 13 1 1 A 95 95 ILE CA C 95 60.582 60.505 0.077 1
1 1158 . 13 1 1 A 95 95 ILE CB C 95 37.359 37.737 -0.378 1
1 1162 . 13 1 1 A 95 95 ILE N N 95 129.905 127.740 2.165 1
1 1163 . 13 1 1 A 96 96 GLU H H 96 9.213 8.712 0.501 1
1 1164 . 13 1 1 A 96 96 GLU HA H 96 4.320 4.324 -0.004 1
1 1169 . 13 1 1 A 96 96 GLU C C 96 177.897 177.568 0.329 1
1 1170 . 13 1 1 A 96 96 GLU CA C 96 57.568 55.730 1.838 1
1 1171 . 13 1 1 A 96 96 GLU CB C 96 29.676 30.683 -1.007 1
1 1173 . 13 1 1 A 96 96 GLU N N 96 126.439 128.759 -2.320 1
1 1174 . 13 1 1 A 97 97 SER H H 97 8.693 8.810 -0.117 1
1 1175 . 13 1 1 A 97 97 SER HA H 97 4.370 4.088 0.282 1
1 1178 . 13 1 1 A 97 97 SER C C 97 178.668 175.405 3.263 1
1 1179 . 13 1 1 A 97 97 SER CA C 97 62.800 61.745 1.055 1
1 1180 . 13 1 1 A 97 97 SER CB C 97 64.591 62.561 2.030 1
1 1181 . 13 1 1 A 97 97 SER N N 97 115.749 119.420 -3.671 1
1 1182 . 13 1 1 A 98 98 MET H H 98 8.937 8.286 0.651 1
1 1183 . 13 1 1 A 98 98 MET HA H 98 4.170 4.258 -0.088 1
1 1188 . 13 1 1 A 98 98 MET C C 98 179.250 176.318 2.932 1
1 1189 . 13 1 1 A 98 98 MET CA C 98 58.702 57.027 1.675 1
1 1190 . 13 1 1 A 98 98 MET CB C 98 31.047 31.933 -0.886 1
1 1192 . 13 1 1 A 98 98 MET N N 98 121.985 118.603 3.382 1
1 1193 . 13 1 1 A 99 99 TYR H H 99 7.927 7.654 0.273 1
1 1194 . 13 1 1 A 99 99 TYR HA H 99 4.435 4.496 -0.061 1
1 1201 . 13 1 1 A 99 99 TYR C C 99 173.125 175.916 -2.791 1
1 1202 . 13 1 1 A 99 99 TYR CA C 99 58.064 58.244 -0.180 1
1 1203 . 13 1 1 A 99 99 TYR CB C 99 39.570 38.816 0.754 1
1 1204 . 13 1 1 A 99 99 TYR N N 99 116.640 118.042 -1.402 1
1 1205 . 13 1 1 A 100 100 GLY H H 100 7.802 7.516 0.286 1
1 1206 . 13 1 1 A 100 100 GLY HA2 H 100 3.223 4.036 -0.813 1
1 1207 . 13 1 1 A 100 100 GLY HA3 H 100 4.309 4.094 0.215 1
1 1208 . 13 1 1 A 100 100 GLY C C 100 173.213 171.349 1.864 1
1 1209 . 13 1 1 A 100 100 GLY CA C 100 45.062 45.290 -0.228 1
1 1210 . 13 1 1 A 100 100 GLY N N 100 110.998 106.376 4.622 1
1 1211 . 13 1 1 A 101 101 TYR H H 101 9.407 8.594 0.813 1
1 1212 . 13 1 1 A 101 101 TYR HA H 101 4.443 4.784 -0.341 1
1 1219 . 13 1 1 A 101 101 TYR C C 101 176.014 176.424 -0.410 1
1 1220 . 13 1 1 A 101 101 TYR CA C 101 58.944 56.846 2.098 1
1 1221 . 13 1 1 A 101 101 TYR CB C 101 37.732 36.759 0.973 1
1 1222 . 13 1 1 A 101 101 TYR N N 101 126.439 119.297 7.142 1
1 1223 . 13 1 1 A 102 102 GLY H H 102 8.231 8.441 -0.210 1
1 1224 . 13 1 1 A 102 102 GLY HA2 H 102 4.001 3.864 0.137 1
1 1225 . 13 1 1 A 102 102 GLY HA3 H 102 3.715 3.899 -0.184 1
1 1226 . 13 1 1 A 102 102 GLY C C 102 175.685 175.364 0.321 1
1 1227 . 13 1 1 A 102 102 GLY CA C 102 46.447 46.592 -0.145 1
1 1228 . 13 1 1 A 102 102 GLY N N 102 107.138 112.194 -5.056 1
1 1229 . 13 1 1 A 103 103 ASP H H 103 8.983 7.899 1.084 1
1 1230 . 13 1 1 A 103 103 ASP HA H 103 4.277 4.352 -0.075 1
1 1233 . 13 1 1 A 103 103 ASP C C 103 176.677 178.510 -1.833 1
1 1234 . 13 1 1 A 103 103 ASP CA C 103 56.352 56.937 -0.585 1
1 1235 . 13 1 1 A 103 103 ASP CB C 103 40.640 40.534 0.106 1
1 1236 . 13 1 1 A 103 103 ASP N N 103 124.954 122.024 2.930 1
1 1237 . 13 1 1 A 104 104 GLU H H 104 8.552 8.100 0.452 1
1 1238 . 13 1 1 A 104 104 GLU HA H 104 4.139 4.323 -0.184 1
1 1243 . 13 1 1 A 104 104 GLU C C 104 179.142 176.695 2.447 1
1 1244 . 13 1 1 A 104 104 GLU CA C 104 58.100 57.992 0.108 1
1 1245 . 13 1 1 A 104 104 GLU CB C 104 30.076 30.500 -0.424 1
1 1247 . 13 1 1 A 104 104 GLU N N 104 117.531 117.637 -0.106 1
1 1248 . 13 1 1 A 105 105 GLY H H 105 7.188 8.066 -0.878 1
1 1249 . 13 1 1 A 105 105 GLY HA2 H 105 3.137 3.970 -0.833 1
1 1250 . 13 1 1 A 105 105 GLY HA3 H 105 4.012 3.994 0.018 1
1 1251 . 13 1 1 A 105 105 GLY C C 105 171.730 174.387 -2.657 1
1 1252 . 13 1 1 A 105 105 GLY CA C 105 44.214 46.241 -2.027 1
1 1253 . 13 1 1 A 105 105 GLY N N 105 104.168 106.637 -2.469 1
1 1254 . 13 1 1 A 106 106 CYS H H 106 9.026 8.388 0.638 1
1 1255 . 13 1 1 A 106 106 CYS HA H 106 4.253 4.933 -0.680 1
1 1258 . 13 1 1 A 106 106 CYS C C 106 173.438 174.232 -0.794 1
1 1259 . 13 1 1 A 106 106 CYS CA C 106 57.814 57.974 -0.160 1
1 1260 . 13 1 1 A 106 106 CYS CB C 106 26.162 29.209 -3.047 1
1 1261 . 13 1 1 A 106 106 CYS N N 106 121.949 120.903 1.046 1
1 1262 . 13 1 1 A 107 107 GLY H H 107 8.584 8.971 -0.387 1
1 1263 . 13 1 1 A 107 107 GLY HA2 H 107 3.706 4.306 -0.600 1
1 1264 . 13 1 1 A 107 107 GLY HA3 H 107 3.954 4.336 -0.382 1
1 1265 . 13 1 1 A 107 107 GLY C C 107 173.461 173.794 -0.333 1
1 1266 . 13 1 1 A 107 107 GLY CA C 107 45.258 44.908 0.350 1
1 1267 . 13 1 1 A 107 107 GLY N N 107 114.561 114.130 0.431 1
1 1268 . 13 1 1 A 108 108 GLU H H 108 8.503 8.917 -0.414 1
1 1269 . 13 1 1 A 108 108 GLU HA H 108 4.051 4.484 -0.433 1
1 1274 . 13 1 1 A 108 108 GLU C C 108 178.118 177.449 0.669 1
1 1275 . 13 1 1 A 108 108 GLU CA C 108 57.478 57.528 -0.050 1
1 1276 . 13 1 1 A 108 108 GLU CB C 108 29.835 31.471 -1.636 1
1 1278 . 13 1 1 A 108 108 GLU N N 108 119.609 124.887 -5.278 1
1 1279 . 13 1 1 A 109 109 SER H H 109 8.082 8.195 -0.113 1
1 1280 . 13 1 1 A 109 109 SER HA H 109 4.127 4.482 -0.355 1
1 1283 . 13 1 1 A 109 109 SER C C 109 173.569 174.750 -1.181 1
1 1284 . 13 1 1 A 109 109 SER CA C 109 60.141 60.062 0.079 1
1 1285 . 13 1 1 A 109 109 SER CB C 109 63.935 63.925 0.010 1
1 1286 . 13 1 1 A 109 109 SER N N 109 112.186 112.525 -0.339 1
1 1287 . 13 1 1 A 110 110 ILE H H 110 6.570 7.873 -1.303 1
1 1288 . 13 1 1 A 110 110 ILE HA H 110 4.235 4.564 -0.329 1
1 1298 . 13 1 1 A 110 110 ILE CA C 110 58.031 58.208 -0.177 1
1 1299 . 13 1 1 A 110 110 ILE CB C 110 39.086 38.120 0.966 1
1 1303 . 13 1 1 A 110 110 ILE N N 110 116.937 115.391 1.546 1
1 1304 . 13 1 1 A 111 111 PRO HA H 111 4.510 4.815 -0.305 1
1 1311 . 13 1 1 A 111 111 PRO C C 111 179.076 177.181 1.895 1
1 1312 . 13 1 1 A 111 111 PRO CA C 111 61.703 62.749 -1.046 1
1 1313 . 13 1 1 A 111 111 PRO CB C 111 32.729 32.815 -0.086 1
1 1316 . 13 1 1 A 112 112 GLY H H 112 9.018 8.664 0.354 1
1 1317 . 13 1 1 A 112 112 GLY HA2 H 112 3.461 4.006 -0.545 1
1 1318 . 13 1 1 A 112 112 GLY HA3 H 112 3.714 4.011 -0.297 1
1 1319 . 13 1 1 A 112 112 GLY C C 112 172.723 174.484 -1.761 1
1 1320 . 13 1 1 A 112 112 GLY CA C 112 46.262 46.503 -0.241 1
1 1321 . 13 1 1 A 112 112 GLY N N 112 111.592 109.584 2.008 1
1 1322 . 13 1 1 A 113 113 ASN H H 113 8.381 8.588 -0.207 1
1 1323 . 13 1 1 A 113 113 ASN HA H 113 4.278 4.322 -0.044 1
1 1328 . 13 1 1 A 113 113 ASN C C 113 174.643 173.892 0.751 1
1 1329 . 13 1 1 A 113 113 ASN CA C 113 54.388 54.627 -0.239 1
1 1330 . 13 1 1 A 113 113 ASN CB C 113 37.204 37.242 -0.038 1
1 1331 . 13 1 1 A 113 113 ASN N N 113 116.937 110.044 6.893 1
1 1333 . 13 1 1 A 114 114 SER H H 114 7.617 7.763 -0.146 1
1 1334 . 13 1 1 A 114 114 SER HA H 114 4.517 4.941 -0.424 1
1 1337 . 13 1 1 A 114 114 SER C C 114 172.904 172.197 0.707 1
1 1338 . 13 1 1 A 114 114 SER CA C 114 59.864 57.473 2.391 1
1 1339 . 13 1 1 A 114 114 SER CB C 114 64.678 65.698 -1.020 1
1 1340 . 13 1 1 A 114 114 SER N N 114 113.077 113.231 -0.154 1
1 1341 . 13 1 1 A 115 115 VAL H H 115 8.500 8.752 -0.252 1
1 1342 . 13 1 1 A 115 115 VAL HA H 115 4.341 4.936 -0.595 1
1 1350 . 13 1 1 A 115 115 VAL C C 115 176.075 174.378 1.697 1
1 1351 . 13 1 1 A 115 115 VAL CA C 115 62.705 60.298 2.407 1
1 1352 . 13 1 1 A 115 115 VAL CB C 115 31.546 33.825 -2.279 1
1 1355 . 13 1 1 A 115 115 VAL N N 115 124.360 123.249 1.111 1
1 1356 . 13 1 1 A 116 116 LEU H H 116 9.104 8.606 0.498 1
1 1357 . 13 1 1 A 116 116 LEU HA H 116 5.002 4.943 0.059 1
1 1367 . 13 1 1 A 116 116 LEU C C 116 174.923 175.834 -0.911 1
1 1368 . 13 1 1 A 116 116 LEU CA C 116 53.123 53.514 -0.391 1
1 1369 . 13 1 1 A 116 116 LEU CB C 116 45.379 45.942 -0.563 1
1 1373 . 13 1 1 A 116 116 LEU N N 116 128.814 129.314 -0.500 1
1 1374 . 13 1 1 A 117 117 LEU H H 117 9.009 8.287 0.722 1
1 1375 . 13 1 1 A 117 117 LEU HA H 117 5.601 5.112 0.489 1
1 1385 . 13 1 1 A 117 117 LEU C C 117 176.574 175.159 1.415 1
1 1386 . 13 1 1 A 117 117 LEU CA C 117 52.750 53.304 -0.554 1
1 1387 . 13 1 1 A 117 117 LEU CB C 117 44.693 44.507 0.186 1
1 1391 . 13 1 1 A 117 117 LEU N N 117 121.391 121.265 0.126 1
1 1392 . 13 1 1 A 118 118 PHE H H 118 9.375 9.144 0.231 1
1 1393 . 13 1 1 A 118 118 PHE HA H 118 6.155 5.031 1.124 1
1 1401 . 13 1 1 A 118 118 PHE C C 118 176.518 175.833 0.685 1
1 1402 . 13 1 1 A 118 118 PHE CA C 118 55.411 56.118 -0.707 1
1 1403 . 13 1 1 A 118 118 PHE CB C 118 42.385 42.517 -0.132 1
1 1404 . 13 1 1 A 118 118 PHE N N 118 117.531 122.838 -5.307 1
1 1405 . 13 1 1 A 119 119 GLU H H 119 8.905 9.453 -0.548 1
1 1406 . 13 1 1 A 119 119 GLU HA H 119 5.604 4.379 1.225 1
1 1411 . 13 1 1 A 119 119 GLU C C 119 175.947 176.492 -0.545 1
1 1412 . 13 1 1 A 119 119 GLU CA C 119 60.489 57.230 3.259 1
1 1413 . 13 1 1 A 119 119 GLU CB C 119 31.189 30.148 1.041 1
1 1415 . 13 1 1 A 119 119 GLU N N 119 122.876 122.728 0.148 1
1 1416 . 13 1 1 A 120 120 ILE H H 120 8.912 8.767 0.145 1
1 1417 . 13 1 1 A 120 120 ILE HA H 120 4.965 4.803 0.162 1
1 1427 . 13 1 1 A 120 120 ILE C C 120 173.341 174.531 -1.190 1
1 1428 . 13 1 1 A 120 120 ILE CA C 120 60.568 60.592 -0.024 1
1 1429 . 13 1 1 A 120 120 ILE CB C 120 41.927 40.373 1.554 1
1 1433 . 13 1 1 A 120 120 ILE N N 120 123.000 124.633 -1.633 1
1 1434 . 13 1 1 A 121 121 GLU H H 121 9.074 8.980 0.094 1
1 1435 . 13 1 1 A 121 121 GLU HA H 121 5.445 4.916 0.529 1
1 1440 . 13 1 1 A 121 121 GLU C C 121 175.254 174.779 0.475 1
1 1441 . 13 1 1 A 121 121 GLU CA C 121 53.941 54.765 -0.824 1
1 1442 . 13 1 1 A 121 121 GLU CB C 121 33.897 32.926 0.971 1
1 1444 . 13 1 1 A 121 121 GLU N N 121 128.221 129.191 -0.970 1
1 1445 . 13 1 1 A 122 122 LEU H H 122 8.112 8.762 -0.650 1
1 1446 . 13 1 1 A 122 122 LEU HA H 122 4.680 4.501 0.179 1
1 1456 . 13 1 1 A 122 122 LEU C C 122 174.472 176.954 -2.482 1
1 1457 . 13 1 1 A 122 122 LEU CA C 122 54.403 54.479 -0.076 1
1 1458 . 13 1 1 A 122 122 LEU CB C 122 40.796 42.035 -1.239 1
1 1462 . 13 1 1 A 122 122 LEU N N 122 127.033 128.332 -1.299 1
1 1463 . 13 1 1 A 123 123 LEU H H 123 8.704 8.646 0.058 1
1 1464 . 13 1 1 A 123 123 LEU HA H 123 4.385 4.630 -0.245 1
1 1474 . 13 1 1 A 123 123 LEU C C 123 177.614 177.035 0.579 1
1 1475 . 13 1 1 A 123 123 LEU CA C 123 57.095 54.693 2.402 1
1 1476 . 13 1 1 A 123 123 LEU CB C 123 42.226 42.958 -0.732 1
1 1480 . 13 1 1 A 123 123 LEU N N 123 128.814 123.137 5.677 1
1 1481 . 13 1 1 A 124 124 SER H H 124 7.602 7.310 0.292 1
1 1482 . 13 1 1 A 124 124 SER HA H 124 4.161 5.112 -0.951 1
1 1485 . 13 1 1 A 124 124 SER C C 124 171.375 173.009 -1.634 1
1 1486 . 13 1 1 A 124 124 SER CA C 124 57.545 57.763 -0.218 1
1 1487 . 13 1 1 A 124 124 SER CB C 124 63.359 66.744 -3.385 1
1 1488 . 13 1 1 A 124 124 SER N N 124 105.653 114.240 -8.587 1
1 1489 . 13 1 1 A 125 125 PHE H H 125 7.818 8.828 -1.010 1
1 1490 . 13 1 1 A 125 125 PHE HA H 125 5.451 5.405 0.046 1
1 1498 . 13 1 1 A 125 125 PHE C C 125 173.154 172.925 0.229 1
1 1499 . 13 1 1 A 125 125 PHE CA C 125 56.463 56.398 0.065 1
1 1500 . 13 1 1 A 125 125 PHE CB C 125 42.301 41.282 1.019 1
1 1501 . 13 1 1 A 125 125 PHE N N 125 113.373 120.633 -7.260 1
1 1502 . 13 1 1 A 126 126 ARG H H 126 8.934 8.577 0.357 1
1 1503 . 13 1 1 A 126 126 ARG HA H 126 4.693 4.929 -0.236 1
1 1510 . 13 1 1 A 126 126 ARG C C 126 174.013 174.440 -0.427 1
1 1511 . 13 1 1 A 126 126 ARG CA C 126 54.654 54.434 0.220 1
1 1512 . 13 1 1 A 126 126 ARG CB C 126 33.064 33.735 -0.671 1
1 1515 . 13 1 1 A 126 126 ARG N N 126 116.046 118.747 -2.701 1
1 1516 . 13 1 1 A 127 127 GLU H H 127 8.665 8.750 -0.085 1
1 1517 . 13 1 1 A 127 127 GLU HA H 127 4.436 4.782 -0.346 1
1 1522 . 13 1 1 A 127 127 GLU C C 127 176.050 175.985 0.065 1
1 1523 . 13 1 1 A 127 127 GLU CA C 127 55.552 56.310 -0.758 1
1 1524 . 13 1 1 A 127 127 GLU CB C 127 30.600 30.538 0.062 1
1 1 . 14 1 1 A 2 2 THR HA H 2 4.479 4.642 -0.163 1
1 6 . 14 1 1 A 2 2 THR C C 2 174.348 174.467 -0.119 1
1 7 . 14 1 1 A 2 2 THR CA C 2 61.838 62.735 -0.897 1
1 8 . 14 1 1 A 2 2 THR CB C 2 69.919 72.257 -2.338 1
1 10 . 14 1 1 A 3 3 THR H H 3 8.289 8.012 0.277 1
1 11 . 14 1 1 A 3 3 THR HA H 3 4.282 4.100 0.182 1
1 16 . 14 1 1 A 3 3 THR C C 3 174.404 173.726 0.678 1
1 17 . 14 1 1 A 3 3 THR CA C 3 62.140 61.879 0.261 1
1 18 . 14 1 1 A 3 3 THR CB C 3 69.658 67.882 1.776 1
1 20 . 14 1 1 A 3 3 THR N N 3 116.640 114.372 2.268 1
1 21 . 14 1 1 A 4 4 GLU H H 4 8.567 8.418 0.149 1
1 22 . 14 1 1 A 4 4 GLU HA H 4 4.156 4.488 -0.332 1
1 27 . 14 1 1 A 4 4 GLU C C 4 176.216 175.777 0.439 1
1 28 . 14 1 1 A 4 4 GLU CA C 4 56.929 56.215 0.714 1
1 29 . 14 1 1 A 4 4 GLU CB C 4 29.821 30.009 -0.188 1
1 31 . 14 1 1 A 4 4 GLU N N 4 123.469 124.465 -0.996 1
1 32 . 14 1 1 A 5 5 GLN H H 5 8.222 8.333 -0.111 1
1 33 . 14 1 1 A 5 5 GLN HA H 5 4.167 4.183 -0.016 1
1 40 . 14 1 1 A 5 5 GLN C C 5 175.216 175.799 -0.583 1
1 41 . 14 1 1 A 5 5 GLN CA C 5 55.674 56.287 -0.613 1
1 42 . 14 1 1 A 5 5 GLN CB C 5 29.553 28.990 0.563 1
1 45 . 14 1 1 A 5 5 GLN N N 5 120.797 124.175 -3.378 1
1 47 . 14 1 1 A 6 6 GLU H H 6 8.171 8.697 -0.526 1
1 48 . 14 1 1 A 6 6 GLU HA H 6 4.080 4.158 -0.078 1
1 53 . 14 1 1 A 6 6 GLU C C 6 175.870 175.372 0.498 1
1 54 . 14 1 1 A 6 6 GLU CA C 6 56.400 55.402 0.998 1
1 55 . 14 1 1 A 6 6 GLU CB C 6 30.335 29.903 0.432 1
1 57 . 14 1 1 A 6 6 GLU N N 6 122.100 125.399 -3.299 1
1 58 . 14 1 1 A 7 7 PHE H H 7 8.051 7.589 0.462 1
1 59 . 14 1 1 A 7 7 PHE HA H 7 4.710 5.205 -0.495 1
1 67 . 14 1 1 A 7 7 PHE C C 7 175.461 174.272 1.189 1
1 68 . 14 1 1 A 7 7 PHE CA C 7 56.825 55.423 1.402 1
1 69 . 14 1 1 A 7 7 PHE CB C 7 39.812 40.525 -0.713 1
1 70 . 14 1 1 A 7 7 PHE N N 7 120.500 123.952 -3.452 1
1 71 . 14 1 1 A 8 8 GLU H H 8 8.626 8.714 -0.088 1
1 72 . 14 1 1 A 8 8 GLU HA H 8 4.193 4.558 -0.365 1
1 77 . 14 1 1 A 8 8 GLU C C 8 176.141 176.340 -0.199 1
1 78 . 14 1 1 A 8 8 GLU CA C 8 56.932 56.292 0.640 1
1 79 . 14 1 1 A 8 8 GLU CB C 8 30.794 30.721 0.073 1
1 81 . 14 1 1 A 8 8 GLU N N 8 123.469 123.736 -0.267 1
1 82 . 14 1 1 A 9 9 LYS H H 9 8.396 8.617 -0.221 1
1 83 . 14 1 1 A 9 9 LYS HA H 9 5.100 4.799 0.301 1
1 92 . 14 1 1 A 9 9 LYS C C 9 176.168 175.701 0.467 1
1 93 . 14 1 1 A 9 9 LYS CA C 9 55.428 55.197 0.231 1
1 94 . 14 1 1 A 9 9 LYS CB C 9 34.214 34.379 -0.165 1
1 98 . 14 1 1 A 9 9 LYS N N 9 124.954 124.826 0.128 1
1 99 . 14 1 1 A 10 10 VAL H H 10 9.445 8.902 0.543 1
1 100 . 14 1 1 A 10 10 VAL HA H 10 4.278 4.499 -0.221 1
1 108 . 14 1 1 A 10 10 VAL C C 10 174.967 174.993 -0.026 1
1 109 . 14 1 1 A 10 10 VAL CA C 10 60.951 61.430 -0.479 1
1 110 . 14 1 1 A 10 10 VAL CB C 10 34.681 31.815 2.866 1
1 113 . 14 1 1 A 10 10 VAL N N 10 124.360 122.931 1.429 1
1 114 . 14 1 1 A 11 11 GLU H H 11 9.021 8.825 0.196 1
1 115 . 14 1 1 A 11 11 GLU HA H 11 4.369 4.732 -0.363 1
1 120 . 14 1 1 A 11 11 GLU C C 11 174.797 177.049 -2.252 1
1 121 . 14 1 1 A 11 11 GLU CA C 11 56.728 55.135 1.593 1
1 122 . 14 1 1 A 11 11 GLU CB C 11 28.655 30.638 -1.983 1
1 124 . 14 1 1 A 11 11 GLU N N 11 127.924 126.241 1.683 1
1 125 . 14 1 1 A 12 12 LEU H H 12 8.396 8.967 -0.571 1
1 126 . 14 1 1 A 12 12 LEU HA H 12 4.311 3.958 0.353 1
1 136 . 14 1 1 A 12 12 LEU C C 12 176.600 176.566 0.034 1
1 137 . 14 1 1 A 12 12 LEU CA C 12 55.292 55.797 -0.505 1
1 138 . 14 1 1 A 12 12 LEU CB C 12 42.624 40.844 1.780 1
1 142 . 14 1 1 A 12 12 LEU N N 12 124.954 124.537 0.417 1
1 143 . 14 1 1 A 13 13 THR H H 13 7.328 7.533 -0.205 1
1 144 . 14 1 1 A 13 13 THR HA H 13 4.530 4.344 0.186 1
1 149 . 14 1 1 A 13 13 THR C C 13 175.180 176.143 -0.963 1
1 150 . 14 1 1 A 13 13 THR CA C 13 59.603 62.474 -2.871 1
1 151 . 14 1 1 A 13 13 THR CB C 13 70.742 69.249 1.493 1
1 153 . 14 1 1 A 13 13 THR N N 13 106.841 114.384 -7.543 1
1 154 . 14 1 1 A 14 14 ALA H H 14 8.689 8.848 -0.159 1
1 155 . 14 1 1 A 14 14 ALA HA H 14 4.247 4.241 0.006 1
1 159 . 14 1 1 A 14 14 ALA C C 14 177.522 177.741 -0.219 1
1 160 . 14 1 1 A 14 14 ALA CA C 14 53.875 53.432 0.443 1
1 161 . 14 1 1 A 14 14 ALA CB C 14 17.920 18.664 -0.744 1
1 162 . 14 1 1 A 14 14 ALA N N 14 123.733 128.927 -5.194 1
1 163 . 14 1 1 A 15 15 ASP H H 15 7.516 7.741 -0.225 1
1 164 . 14 1 1 A 15 15 ASP HA H 15 4.518 4.684 -0.166 1
1 167 . 14 1 1 A 15 15 ASP C C 15 177.402 176.303 1.099 1
1 168 . 14 1 1 A 15 15 ASP CA C 15 52.635 54.256 -1.621 1
1 169 . 14 1 1 A 15 15 ASP CB C 15 40.912 41.178 -0.266 1
1 170 . 14 1 1 A 15 15 ASP N N 15 113.967 116.961 -2.994 1
1 171 . 14 1 1 A 16 16 GLY H H 16 7.986 7.820 0.166 1
1 172 . 14 1 1 A 16 16 GLY HA2 H 16 4.080 4.011 0.069 1
1 173 . 14 1 1 A 16 16 GLY HA3 H 16 3.529 4.022 -0.493 1
1 174 . 14 1 1 A 16 16 GLY C C 16 175.233 175.352 -0.119 1
1 175 . 14 1 1 A 16 16 GLY CA C 16 45.798 45.033 0.765 1
1 176 . 14 1 1 A 16 16 GLY N N 16 108.919 105.955 2.964 1
1 177 . 14 1 1 A 17 17 GLY H H 17 8.681 8.533 0.148 1
1 178 . 14 1 1 A 17 17 GLY HA2 H 17 4.513 3.924 0.589 1
1 179 . 14 1 1 A 17 17 GLY HA3 H 17 4.513 3.947 0.566 1
1 180 . 14 1 1 A 17 17 GLY C C 17 172.684 174.032 -1.348 1
1 181 . 14 1 1 A 17 17 GLY CA C 17 46.672 46.867 -0.195 1
1 182 . 14 1 1 A 17 17 GLY N N 17 108.663 106.813 1.850 1
1 183 . 14 1 1 A 18 18 VAL H H 18 6.903 7.409 -0.506 1
1 184 . 14 1 1 A 18 18 VAL HA H 18 4.855 3.957 0.898 1
1 192 . 14 1 1 A 18 18 VAL C C 18 174.737 174.438 0.299 1
1 193 . 14 1 1 A 18 18 VAL CA C 18 62.035 59.865 2.170 1
1 194 . 14 1 1 A 18 18 VAL CB C 18 33.315 35.048 -1.733 1
1 197 . 14 1 1 A 18 18 VAL N N 18 117.234 118.342 -1.108 1
1 198 . 14 1 1 A 19 19 ILE H H 19 8.243 8.076 0.167 1
1 199 . 14 1 1 A 19 19 ILE HA H 19 4.665 4.502 0.163 1
1 209 . 14 1 1 A 19 19 ILE C C 19 174.360 174.606 -0.246 1
1 210 . 14 1 1 A 19 19 ILE CA C 19 60.736 60.565 0.171 1
1 211 . 14 1 1 A 19 19 ILE CB C 19 41.856 37.292 4.564 1
1 215 . 14 1 1 A 19 19 ILE N N 19 126.439 126.149 0.290 1
1 216 . 14 1 1 A 20 20 LYS H H 20 9.345 9.155 0.190 1
1 217 . 14 1 1 A 20 20 LYS HA H 20 5.296 4.997 0.299 1
1 226 . 14 1 1 A 20 20 LYS C C 20 173.618 174.727 -1.109 1
1 227 . 14 1 1 A 20 20 LYS CA C 20 54.842 54.421 0.421 1
1 228 . 14 1 1 A 20 20 LYS CB C 20 36.261 35.584 0.677 1
1 232 . 14 1 1 A 20 20 LYS N N 20 129.408 129.141 0.267 1
1 233 . 14 1 1 A 21 21 THR H H 21 9.597 8.921 0.676 1
1 234 . 14 1 1 A 21 21 THR HA H 21 4.923 4.760 0.163 1
1 239 . 14 1 1 A 21 21 THR C C 21 174.648 174.171 0.477 1
1 240 . 14 1 1 A 21 21 THR CA C 21 61.703 62.183 -0.480 1
1 241 . 14 1 1 A 21 21 THR CB C 21 70.230 69.618 0.612 1
1 243 . 14 1 1 A 21 21 THR N N 21 123.469 121.874 1.595 1
1 244 . 14 1 1 A 22 22 ILE H H 22 9.248 8.724 0.524 1
1 245 . 14 1 1 A 22 22 ILE HA H 22 3.637 4.137 -0.500 1
1 255 . 14 1 1 A 22 22 ILE C C 22 174.348 175.037 -0.689 1
1 256 . 14 1 1 A 22 22 ILE CA C 22 64.258 62.111 2.147 1
1 257 . 14 1 1 A 22 22 ILE CB C 22 37.551 38.404 -0.853 1
1 261 . 14 1 1 A 22 22 ILE N N 22 128.517 128.961 -0.444 1
1 262 . 14 1 1 A 23 23 LEU H H 23 8.498 8.435 0.063 1
1 263 . 14 1 1 A 23 23 LEU HA H 23 4.180 4.409 -0.229 1
1 273 . 14 1 1 A 23 23 LEU C C 23 177.521 176.358 1.163 1
1 274 . 14 1 1 A 23 23 LEU CA C 23 55.460 56.039 -0.579 1
1 275 . 14 1 1 A 23 23 LEU CB C 23 42.239 43.200 -0.961 1
1 279 . 14 1 1 A 23 23 LEU N N 23 128.517 129.489 -0.972 1
1 280 . 14 1 1 A 24 24 LYS H H 24 8.020 8.009 0.011 1
1 281 . 14 1 1 A 24 24 LYS HA H 24 4.392 4.604 -0.212 1
1 290 . 14 1 1 A 24 24 LYS C C 24 174.465 175.475 -1.010 1
1 291 . 14 1 1 A 24 24 LYS CA C 24 55.848 55.596 0.252 1
1 292 . 14 1 1 A 24 24 LYS CB C 24 35.692 33.954 1.738 1
1 296 . 14 1 1 A 24 24 LYS N N 24 120.797 118.680 2.117 1
1 297 . 14 1 1 A 25 25 LYS H H 25 8.657 8.686 -0.029 1
1 298 . 14 1 1 A 25 25 LYS HA H 25 4.178 4.825 -0.647 1
1 307 . 14 1 1 A 25 25 LYS C C 25 177.616 176.951 0.665 1
1 308 . 14 1 1 A 25 25 LYS CA C 25 57.218 54.968 2.250 1
1 309 . 14 1 1 A 25 25 LYS CB C 25 32.846 33.773 -0.927 1
1 313 . 14 1 1 A 25 25 LYS N N 25 126.439 125.888 0.551 1
1 314 . 14 1 1 A 26 26 GLY H H 26 9.728 9.234 0.494 1
1 315 . 14 1 1 A 26 26 GLY HA2 H 26 3.408 4.041 -0.633 1
1 316 . 14 1 1 A 26 26 GLY HA3 H 26 4.120 4.046 0.074 1
1 317 . 14 1 1 A 26 26 GLY C C 26 173.278 173.609 -0.331 1
1 318 . 14 1 1 A 26 26 GLY CA C 26 43.709 44.549 -0.840 1
1 319 . 14 1 1 A 26 26 GLY N N 26 110.404 111.924 -1.520 1
1 320 . 14 1 1 A 27 27 ASP H H 27 8.550 8.419 0.131 1
1 321 . 14 1 1 A 27 27 ASP HA H 27 4.401 4.860 -0.459 1
1 324 . 14 1 1 A 27 27 ASP C C 27 175.993 174.977 1.016 1
1 325 . 14 1 1 A 27 27 ASP CA C 27 55.105 55.181 -0.076 1
1 326 . 14 1 1 A 27 27 ASP CB C 27 41.688 41.647 0.041 1
1 327 . 14 1 1 A 27 27 ASP N N 27 121.391 120.511 0.880 1
1 328 . 14 1 1 A 28 28 GLU H H 28 8.419 8.094 0.325 1
1 329 . 14 1 1 A 28 28 GLU HA H 28 4.063 4.617 -0.554 1
1 334 . 14 1 1 A 28 28 GLU C C 28 176.146 176.955 -0.809 1
1 335 . 14 1 1 A 28 28 GLU CA C 28 57.076 55.697 1.379 1
1 336 . 14 1 1 A 28 28 GLU CB C 28 30.774 30.792 -0.018 1
1 338 . 14 1 1 A 28 28 GLU N N 28 120.203 116.966 3.237 1
1 339 . 14 1 1 A 29 29 GLY H H 29 8.364 8.733 -0.369 1
1 340 . 14 1 1 A 29 29 GLY HA2 H 29 4.758 4.303 0.455 1
1 341 . 14 1 1 A 29 29 GLY HA3 H 29 4.584 4.315 0.269 1
1 342 . 14 1 1 A 29 29 GLY C C 29 175.976 175.166 0.810 1
1 343 . 14 1 1 A 29 29 GLY CA C 29 44.686 45.830 -1.144 1
1 344 . 14 1 1 A 29 29 GLY N N 29 110.404 110.543 -0.139 1
1 345 . 14 1 1 A 30 30 GLU H H 30 8.867 8.019 0.848 1
1 346 . 14 1 1 A 30 30 GLU HA H 30 3.749 3.956 -0.207 1
1 351 . 14 1 1 A 30 30 GLU C C 30 177.872 177.792 0.080 1
1 352 . 14 1 1 A 30 30 GLU CA C 30 59.045 59.273 -0.228 1
1 353 . 14 1 1 A 30 30 GLU CB C 30 29.030 29.723 -0.693 1
1 355 . 14 1 1 A 30 30 GLU N N 30 125.251 120.572 4.679 1
1 356 . 14 1 1 A 31 31 GLU H H 31 9.842 7.822 2.020 1
1 357 . 14 1 1 A 31 31 GLU HA H 31 4.312 4.572 -0.260 1
1 362 . 14 1 1 A 31 31 GLU C C 31 176.330 176.220 0.110 1
1 363 . 14 1 1 A 31 31 GLU CA C 31 57.437 55.572 1.865 1
1 364 . 14 1 1 A 31 31 GLU CB C 31 28.040 30.505 -2.465 1
1 366 . 14 1 1 A 31 31 GLU N N 31 118.421 118.328 0.093 1
1 367 . 14 1 1 A 32 32 ASN H H 32 7.731 7.890 -0.159 1
1 368 . 14 1 1 A 32 32 ASN HA H 32 5.127 5.445 -0.318 1
1 373 . 14 1 1 A 32 32 ASN C C 32 172.750 174.073 -1.323 1
1 374 . 14 1 1 A 32 32 ASN CA C 32 54.111 52.440 1.671 1
1 375 . 14 1 1 A 32 32 ASN CB C 32 40.161 39.765 0.396 1
1 376 . 14 1 1 A 32 32 ASN N N 32 116.937 119.145 -2.208 1
1 378 . 14 1 1 A 33 33 ILE H H 33 7.105 8.305 -1.200 1
1 379 . 14 1 1 A 33 33 ILE HA H 33 4.793 4.709 0.084 1
1 389 . 14 1 1 A 33 33 ILE CA C 33 57.895 58.100 -0.205 1
1 390 . 14 1 1 A 33 33 ILE CB C 33 40.609 41.560 -0.951 1
1 394 . 14 1 1 A 33 33 ILE N N 33 121.985 125.165 -3.180 1
1 395 . 14 1 1 A 34 34 PRO HA H 34 4.065 4.870 -0.805 1
1 402 . 14 1 1 A 34 34 PRO C C 34 173.754 176.231 -2.477 1
1 403 . 14 1 1 A 34 34 PRO CA C 34 61.962 63.005 -1.043 1
1 404 . 14 1 1 A 34 34 PRO CB C 34 31.877 32.288 -0.411 1
1 407 . 14 1 1 A 35 35 LYS H H 35 7.101 8.623 -1.522 1
1 408 . 14 1 1 A 35 35 LYS HA H 35 4.377 4.856 -0.479 1
1 417 . 14 1 1 A 35 35 LYS C C 35 175.712 175.242 0.470 1
1 418 . 14 1 1 A 35 35 LYS CA C 35 53.404 54.587 -1.183 1
1 419 . 14 1 1 A 35 35 LYS CB C 35 35.229 36.044 -0.815 1
1 423 . 14 1 1 A 35 35 LYS N N 35 116.046 121.672 -5.626 1
1 424 . 14 1 1 A 36 36 LYS H H 36 8.144 8.587 -0.443 1
1 425 . 14 1 1 A 36 36 LYS HA H 36 3.515 3.991 -0.476 1
1 434 . 14 1 1 A 36 36 LYS C C 36 176.774 177.345 -0.571 1
1 435 . 14 1 1 A 36 36 LYS CA C 36 58.608 58.159 0.449 1
1 436 . 14 1 1 A 36 36 LYS CB C 36 32.089 32.071 0.018 1
1 440 . 14 1 1 A 36 36 LYS N N 36 120.797 122.819 -2.022 1
1 441 . 14 1 1 A 37 37 GLY H H 37 9.113 8.975 0.138 1
1 442 . 14 1 1 A 37 37 GLY HA2 H 37 3.494 3.993 -0.499 1
1 443 . 14 1 1 A 37 37 GLY HA3 H 37 4.330 4.017 0.313 1
1 444 . 14 1 1 A 37 37 GLY C C 37 175.329 174.427 0.902 1
1 445 . 14 1 1 A 37 37 GLY CA C 37 44.853 45.042 -0.189 1
1 446 . 14 1 1 A 37 37 GLY N N 37 113.967 114.863 -0.896 1
1 447 . 14 1 1 A 38 38 ASN H H 38 8.447 7.802 0.645 1
1 448 . 14 1 1 A 38 38 ASN HA H 38 4.663 4.833 -0.170 1
1 453 . 14 1 1 A 38 38 ASN C C 38 174.878 175.445 -0.567 1
1 454 . 14 1 1 A 38 38 ASN CA C 38 53.557 53.845 -0.288 1
1 455 . 14 1 1 A 38 38 ASN CB C 38 39.155 39.488 -0.333 1
1 457 . 14 1 1 A 38 38 ASN N N 38 117.828 120.133 -2.305 1
1 459 . 14 1 1 A 39 39 GLU H H 39 8.331 8.598 -0.267 1
1 460 . 14 1 1 A 39 39 GLU HA H 39 4.254 4.584 -0.330 1
1 465 . 14 1 1 A 39 39 GLU C C 39 175.656 176.412 -0.756 1
1 466 . 14 1 1 A 39 39 GLU CA C 39 55.804 56.365 -0.561 1
1 467 . 14 1 1 A 39 39 GLU CB C 39 31.464 29.871 1.593 1
1 469 . 14 1 1 A 39 39 GLU N N 39 121.094 121.645 -0.551 1
1 470 . 14 1 1 A 40 40 VAL H H 40 9.138 8.771 0.367 1
1 471 . 14 1 1 A 40 40 VAL HA H 40 4.699 5.038 -0.339 1
1 479 . 14 1 1 A 40 40 VAL C C 40 173.240 174.196 -0.956 1
1 480 . 14 1 1 A 40 40 VAL CA C 40 59.559 60.131 -0.572 1
1 481 . 14 1 1 A 40 40 VAL CB C 40 32.896 34.638 -1.742 1
1 484 . 14 1 1 A 40 40 VAL N N 40 125.845 118.444 7.401 1
1 485 . 14 1 1 A 41 41 THR H H 41 8.328 8.931 -0.603 1
1 486 . 14 1 1 A 41 41 THR HA H 41 4.982 4.912 0.070 1
1 491 . 14 1 1 A 41 41 THR C C 41 174.455 174.018 0.437 1
1 492 . 14 1 1 A 41 41 THR CA C 41 61.964 62.084 -0.120 1
1 493 . 14 1 1 A 41 41 THR CB C 41 69.623 69.321 0.302 1
1 495 . 14 1 1 A 41 41 THR N N 41 117.531 119.683 -2.152 1
1 496 . 14 1 1 A 42 42 VAL H H 42 9.581 8.523 1.058 1
1 497 . 14 1 1 A 42 42 VAL HA H 42 5.669 4.891 0.778 1
1 505 . 14 1 1 A 42 42 VAL C C 42 174.919 173.838 1.081 1
1 506 . 14 1 1 A 42 42 VAL CA C 42 57.930 59.245 -1.315 1
1 507 . 14 1 1 A 42 42 VAL CB C 42 35.321 34.441 0.880 1
1 510 . 14 1 1 A 42 42 VAL N N 42 117.828 120.643 -2.815 1
1 511 . 14 1 1 A 43 43 HIS H H 43 8.333 8.993 -0.660 1
1 512 . 14 1 1 A 43 43 HIS HA H 43 5.407 5.344 0.063 1
1 515 . 14 1 1 A 43 43 HIS C C 43 176.136 173.764 2.372 1
1 516 . 14 1 1 A 43 43 HIS CA C 43 54.147 54.733 -0.586 1
1 517 . 14 1 1 A 43 43 HIS CB C 43 35.339 33.158 2.181 1
1 518 . 14 1 1 A 43 43 HIS N N 43 119.906 124.888 -4.982 1
1 519 . 14 1 1 A 44 44 TYR H H 44 9.622 9.094 0.528 1
1 520 . 14 1 1 A 44 44 TYR HA H 44 6.247 6.110 0.137 1
1 527 . 14 1 1 A 44 44 TYR C C 44 172.857 173.625 -0.768 1
1 528 . 14 1 1 A 44 44 TYR CA C 44 56.304 55.368 0.936 1
1 529 . 14 1 1 A 44 44 TYR CB C 44 43.537 42.190 1.347 1
1 530 . 14 1 1 A 44 44 TYR N N 44 117.234 121.900 -4.666 1
1 531 . 14 1 1 A 45 45 VAL H H 45 8.735 8.312 0.423 1
1 532 . 14 1 1 A 45 45 VAL HA H 45 4.520 4.738 -0.218 1
1 540 . 14 1 1 A 45 45 VAL C C 45 175.200 174.715 0.485 1
1 541 . 14 1 1 A 45 45 VAL CA C 45 62.212 60.218 1.994 1
1 542 . 14 1 1 A 45 45 VAL CB C 45 35.550 34.798 0.752 1
1 545 . 14 1 1 A 45 45 VAL N N 45 118.125 119.589 -1.464 1
1 546 . 14 1 1 A 46 46 GLY H H 46 9.126 8.023 1.103 1
1 547 . 14 1 1 A 46 46 GLY HA2 H 46 4.539 4.091 0.448 1
1 548 . 14 1 1 A 46 46 GLY HA3 H 46 4.506 4.111 0.395 1
1 549 . 14 1 1 A 46 46 GLY C C 46 170.771 171.573 -0.802 1
1 550 . 14 1 1 A 46 46 GLY CA C 46 45.601 45.955 -0.354 1
1 551 . 14 1 1 A 46 46 GLY N N 46 114.858 111.608 3.250 1
1 552 . 14 1 1 A 47 47 LYS H H 47 9.121 8.185 0.936 1
1 553 . 14 1 1 A 47 47 LYS HA H 47 5.176 4.662 0.514 1
1 562 . 14 1 1 A 47 47 LYS C C 47 175.830 173.808 2.022 1
1 563 . 14 1 1 A 47 47 LYS CA C 47 53.937 54.429 -0.492 1
1 564 . 14 1 1 A 47 47 LYS CB C 47 37.021 35.862 1.159 1
1 568 . 14 1 1 A 47 47 LYS N N 47 123.469 118.873 4.596 1
1 569 . 14 1 1 A 48 48 LEU H H 48 8.016 9.566 -1.550 1
1 570 . 14 1 1 A 48 48 LEU HA H 48 4.692 4.607 0.085 1
1 580 . 14 1 1 A 48 48 LEU C C 48 178.031 176.758 1.273 1
1 581 . 14 1 1 A 48 48 LEU CA C 48 54.231 54.023 0.208 1
1 582 . 14 1 1 A 48 48 LEU CB C 48 41.678 42.842 -1.164 1
1 586 . 14 1 1 A 48 48 LEU N N 48 121.391 122.970 -1.579 1
1 587 . 14 1 1 A 49 49 GLU H H 49 8.085 8.665 -0.580 1
1 588 . 14 1 1 A 49 49 GLU HA H 49 3.835 3.962 -0.127 1
1 593 . 14 1 1 A 49 49 GLU C C 49 178.118 177.979 0.139 1
1 594 . 14 1 1 A 49 49 GLU CA C 49 59.974 59.175 0.799 1
1 595 . 14 1 1 A 49 49 GLU CB C 49 30.322 29.486 0.836 1
1 597 . 14 1 1 A 49 49 GLU N N 49 124.954 127.144 -2.190 1
1 598 . 14 1 1 A 50 50 SER H H 50 9.220 8.023 1.197 1
1 599 . 14 1 1 A 50 50 SER HA H 50 4.154 4.244 -0.090 1
1 602 . 14 1 1 A 50 50 SER C C 50 176.751 175.558 1.193 1
1 603 . 14 1 1 A 50 50 SER CA C 50 60.230 60.931 -0.701 1
1 604 . 14 1 1 A 50 50 SER CB C 50 62.229 63.275 -1.046 1
1 605 . 14 1 1 A 50 50 SER N N 50 112.186 115.375 -3.189 1
1 606 . 14 1 1 A 51 51 THR H H 51 6.784 7.532 -0.748 1
1 607 . 14 1 1 A 51 51 THR HA H 51 4.520 4.611 -0.091 1
1 612 . 14 1 1 A 51 51 THR C C 51 176.342 174.796 1.546 1
1 613 . 14 1 1 A 51 51 THR CA C 51 60.760 61.345 -0.585 1
1 614 . 14 1 1 A 51 51 THR CB C 51 71.046 70.145 0.901 1
1 616 . 14 1 1 A 51 51 THR N N 51 105.653 113.547 -7.894 1
1 617 . 14 1 1 A 52 52 GLY H H 52 8.296 7.984 0.312 1
1 618 . 14 1 1 A 52 52 GLY HA2 H 52 3.680 3.926 -0.246 1
1 619 . 14 1 1 A 52 52 GLY HA3 H 52 4.096 3.930 0.166 1
1 620 . 14 1 1 A 52 52 GLY C C 52 173.336 174.569 -1.233 1
1 621 . 14 1 1 A 52 52 GLY CA C 52 45.711 46.777 -1.066 1
1 622 . 14 1 1 A 52 52 GLY N N 52 112.483 110.840 1.643 1
1 623 . 14 1 1 A 53 53 LYS H H 53 7.479 7.980 -0.501 1
1 624 . 14 1 1 A 53 53 LYS HA H 53 4.218 4.606 -0.388 1
1 633 . 14 1 1 A 53 53 LYS C C 53 176.513 175.398 1.115 1
1 634 . 14 1 1 A 53 53 LYS CA C 53 56.217 54.849 1.368 1
1 635 . 14 1 1 A 53 53 LYS CB C 53 33.430 34.347 -0.917 1
1 639 . 14 1 1 A 53 53 LYS N N 53 119.609 119.035 0.574 1
1 640 . 14 1 1 A 54 54 VAL H H 54 8.511 8.478 0.033 1
1 641 . 14 1 1 A 54 54 VAL HA H 54 4.244 4.275 -0.031 1
1 649 . 14 1 1 A 54 54 VAL C C 54 176.879 176.215 0.664 1
1 650 . 14 1 1 A 54 54 VAL CA C 54 62.409 61.976 0.433 1
1 651 . 14 1 1 A 54 54 VAL CB C 54 32.697 32.965 -0.268 1
1 654 . 14 1 1 A 54 54 VAL N N 54 126.109 125.451 0.658 1
1 655 . 14 1 1 A 55 55 PHE H H 55 8.325 8.397 -0.072 1
1 656 . 14 1 1 A 55 55 PHE HA H 55 5.036 4.783 0.253 1
1 664 . 14 1 1 A 55 55 PHE C C 55 174.856 175.057 -0.201 1
1 665 . 14 1 1 A 55 55 PHE CA C 55 55.758 58.153 -2.395 1
1 666 . 14 1 1 A 55 55 PHE CB C 55 40.399 38.785 1.614 1
1 667 . 14 1 1 A 55 55 PHE N N 55 124.063 126.043 -1.980 1
1 668 . 14 1 1 A 56 56 ASP H H 56 6.884 8.563 -1.679 1
1 669 . 14 1 1 A 56 56 ASP HA H 56 4.801 5.482 -0.681 1
1 672 . 14 1 1 A 56 56 ASP C C 56 173.688 174.433 -0.745 1
1 673 . 14 1 1 A 56 56 ASP CA C 56 54.956 52.961 1.995 1
1 674 . 14 1 1 A 56 56 ASP CB C 56 43.616 41.522 2.094 1
1 675 . 14 1 1 A 56 56 ASP N N 56 120.500 124.299 -3.799 1
1 676 . 14 1 1 A 57 57 SER H H 57 8.038 8.954 -0.916 1
1 677 . 14 1 1 A 57 57 SER HA H 57 4.796 4.942 -0.146 1
1 680 . 14 1 1 A 57 57 SER C C 57 174.997 174.131 0.866 1
1 681 . 14 1 1 A 57 57 SER CA C 57 55.792 57.550 -1.758 1
1 682 . 14 1 1 A 57 57 SER CB C 57 64.961 66.690 -1.729 1
1 683 . 14 1 1 A 57 57 SER N N 57 118.421 119.979 -1.558 1
1 684 . 14 1 1 A 58 58 SER H H 58 8.429 9.084 -0.655 1
1 685 . 14 1 1 A 58 58 SER HA H 58 4.080 4.226 -0.146 1
1 688 . 14 1 1 A 58 58 SER C C 58 177.399 175.972 1.427 1
1 689 . 14 1 1 A 58 58 SER CA C 58 61.499 62.041 -0.542 1
1 690 . 14 1 1 A 58 58 SER CB C 58 65.069 63.178 1.891 1
1 691 . 14 1 1 A 58 58 SER N N 58 123.766 118.286 5.480 1
1 692 . 14 1 1 A 59 59 PHE H H 59 7.276 8.001 -0.725 1
1 693 . 14 1 1 A 59 59 PHE HA H 59 3.851 4.137 -0.286 1
1 701 . 14 1 1 A 59 59 PHE C C 59 178.929 177.328 1.601 1
1 702 . 14 1 1 A 59 59 PHE CA C 59 61.010 61.000 0.010 1
1 703 . 14 1 1 A 59 59 PHE CB C 59 38.129 39.581 -1.452 1
1 704 . 14 1 1 A 59 59 PHE N N 59 121.845 122.210 -0.365 1
1 705 . 14 1 1 A 60 60 ASP H H 60 7.534 8.752 -1.218 1
1 706 . 14 1 1 A 60 60 ASP HA H 60 4.343 4.428 -0.085 1
1 709 . 14 1 1 A 60 60 ASP C C 60 177.295 178.440 -1.145 1
1 710 . 14 1 1 A 60 60 ASP CA C 60 56.921 56.992 -0.071 1
1 711 . 14 1 1 A 60 60 ASP CB C 60 40.298 40.139 0.159 1
1 712 . 14 1 1 A 60 60 ASP N N 60 119.015 118.838 0.177 1
1 713 . 14 1 1 A 61 61 ARG H H 61 7.224 8.332 -1.108 1
1 714 . 14 1 1 A 61 61 ARG HA H 61 4.378 4.209 0.169 1
1 721 . 14 1 1 A 61 61 ARG C C 61 175.798 178.220 -2.422 1
1 722 . 14 1 1 A 61 61 ARG CA C 61 55.209 57.876 -2.667 1
1 723 . 14 1 1 A 61 61 ARG CB C 61 32.610 29.221 3.389 1
1 726 . 14 1 1 A 61 61 ARG N N 61 115.452 118.903 -3.451 1
1 727 . 14 1 1 A 62 62 ASN H H 62 7.946 7.841 0.105 1
1 728 . 14 1 1 A 62 62 ASN HA H 62 4.392 4.702 -0.310 1
1 733 . 14 1 1 A 62 62 ASN C C 62 173.776 174.838 -1.062 1
1 734 . 14 1 1 A 62 62 ASN CA C 62 54.269 54.752 -0.483 1
1 735 . 14 1 1 A 62 62 ASN CB C 62 38.597 39.471 -0.874 1
1 737 . 14 1 1 A 62 62 ASN N N 62 115.196 118.453 -3.257 1
1 739 . 14 1 1 A 63 63 VAL H H 63 7.278 8.134 -0.856 1
1 740 . 14 1 1 A 63 63 VAL HA H 63 4.628 4.438 0.190 1
1 748 . 14 1 1 A 63 63 VAL CA C 63 62.601 58.485 4.116 1
1 749 . 14 1 1 A 63 63 VAL CB C 63 35.186 34.084 1.102 1
1 752 . 14 1 1 A 63 63 VAL N N 63 115.155 116.989 -1.834 1
1 753 . 14 1 1 A 64 64 PRO HA H 64 4.516 4.765 -0.249 1
1 760 . 14 1 1 A 64 64 PRO C C 64 174.254 175.895 -1.641 1
1 761 . 14 1 1 A 64 64 PRO CA C 64 62.601 62.274 0.327 1
1 762 . 14 1 1 A 64 64 PRO CB C 64 31.977 32.462 -0.485 1
1 765 . 14 1 1 A 65 65 PHE H H 65 9.109 8.638 0.471 1
1 766 . 14 1 1 A 65 65 PHE HA H 65 4.821 5.145 -0.324 1
1 774 . 14 1 1 A 65 65 PHE C C 65 173.320 174.575 -1.255 1
1 775 . 14 1 1 A 65 65 PHE CA C 65 57.292 57.291 0.001 1
1 776 . 14 1 1 A 65 65 PHE CB C 65 42.894 42.149 0.745 1
1 777 . 14 1 1 A 65 65 PHE N N 65 123.469 122.601 0.868 1
1 778 . 14 1 1 A 66 66 LYS H H 66 7.474 8.639 -1.165 1
1 779 . 14 1 1 A 66 66 LYS HA H 66 5.378 5.519 -0.141 1
1 788 . 14 1 1 A 66 66 LYS C C 66 175.026 175.099 -0.073 1
1 789 . 14 1 1 A 66 66 LYS CA C 66 53.876 54.506 -0.630 1
1 790 . 14 1 1 A 66 66 LYS CB C 66 35.471 36.890 -1.419 1
1 794 . 14 1 1 A 66 66 LYS N N 66 125.548 122.530 3.018 1
1 795 . 14 1 1 A 67 67 PHE H H 67 8.114 8.567 -0.453 1
1 796 . 14 1 1 A 67 67 PHE HA H 67 4.469 5.515 -1.046 1
1 804 . 14 1 1 A 67 67 PHE C C 67 172.049 172.497 -0.448 1
1 805 . 14 1 1 A 67 67 PHE CA C 67 55.662 55.566 0.096 1
1 806 . 14 1 1 A 67 67 PHE CB C 67 40.087 42.129 -2.042 1
1 807 . 14 1 1 A 67 67 PHE N N 67 115.419 116.942 -1.523 1
1 808 . 14 1 1 A 68 68 HIS H H 68 8.983 8.883 0.100 1
1 809 . 14 1 1 A 68 68 HIS HA H 68 5.482 5.212 0.270 1
1 812 . 14 1 1 A 68 68 HIS C C 68 174.742 174.012 0.730 1
1 813 . 14 1 1 A 68 68 HIS CA C 68 55.348 54.275 1.073 1
1 814 . 14 1 1 A 68 68 HIS CB C 68 28.470 33.131 -4.661 1
1 815 . 14 1 1 A 68 68 HIS N N 68 118.421 120.353 -1.932 1
1 816 . 14 1 1 A 69 69 LEU H H 69 8.317 8.573 -0.256 1
1 817 . 14 1 1 A 69 69 LEU HA H 69 4.016 4.140 -0.124 1
1 827 . 14 1 1 A 69 69 LEU CA C 69 56.060 55.922 0.138 1
1 828 . 14 1 1 A 69 69 LEU CB C 69 42.903 41.971 0.932 1
1 832 . 14 1 1 A 69 69 LEU N N 69 126.736 128.534 -1.798 1
1 833 . 14 1 1 A 70 70 GLU H H 70 9.618 8.930 0.688 1
1 834 . 14 1 1 A 70 70 GLU HA H 70 3.847 3.942 -0.095 1
1 839 . 14 1 1 A 70 70 GLU C C 70 174.818 176.278 -1.460 1
1 840 . 14 1 1 A 70 70 GLU CA C 70 58.625 57.187 1.438 1
1 841 . 14 1 1 A 70 70 GLU CB C 70 27.456 28.192 -0.736 1
1 843 . 14 1 1 A 70 70 GLU N N 70 124.954 126.382 -1.428 1
1 844 . 14 1 1 A 71 71 GLN H H 71 8.248 7.887 0.361 1
1 845 . 14 1 1 A 71 71 GLN HA H 71 4.678 4.673 0.005 1
1 852 . 14 1 1 A 71 71 GLN CA C 71 54.218 55.339 -1.121 1
1 853 . 14 1 1 A 71 71 GLN CB C 71 30.422 30.171 0.251 1
1 856 . 14 1 1 A 71 71 GLN N N 71 114.858 123.362 -8.504 1
1 858 . 14 1 1 A 72 72 GLY H H 72 8.362 8.134 0.228 1
1 859 . 14 1 1 A 72 72 GLY HA2 H 72 4.145 3.999 0.146 1
1 860 . 14 1 1 A 72 72 GLY HA3 H 72 4.059 4.022 0.037 1
1 861 . 14 1 1 A 72 72 GLY C C 72 175.783 175.545 0.238 1
1 862 . 14 1 1 A 72 72 GLY CA C 72 46.838 45.704 1.134 1
1 863 . 14 1 1 A 72 72 GLY N N 72 110.404 108.398 2.006 1
1 864 . 14 1 1 A 73 73 GLU H H 73 9.085 8.217 0.868 1
1 865 . 14 1 1 A 73 73 GLU HA H 73 4.187 4.367 -0.180 1
1 870 . 14 1 1 A 73 73 GLU C C 73 175.522 176.006 -0.484 1
1 871 . 14 1 1 A 73 73 GLU CA C 73 57.443 56.663 0.780 1
1 872 . 14 1 1 A 73 73 GLU CB C 73 31.378 30.207 1.171 1
1 874 . 14 1 1 A 73 73 GLU N N 73 118.421 117.933 0.488 1
1 875 . 14 1 1 A 74 74 VAL H H 74 6.862 7.279 -0.417 1
1 876 . 14 1 1 A 74 74 VAL HA H 74 4.281 4.292 -0.011 1
1 884 . 14 1 1 A 74 74 VAL C C 74 175.773 175.227 0.546 1
1 885 . 14 1 1 A 74 74 VAL CA C 74 57.468 60.059 -2.591 1
1 886 . 14 1 1 A 74 74 VAL CB C 74 36.344 34.505 1.839 1
1 889 . 14 1 1 A 74 74 VAL N N 74 108.919 112.788 -3.869 1
1 890 . 14 1 1 A 75 75 ILE H H 75 7.462 8.923 -1.461 1
1 891 . 14 1 1 A 75 75 ILE HA H 75 3.844 4.227 -0.383 1
1 901 . 14 1 1 A 75 75 ILE C C 75 177.618 177.226 0.392 1
1 902 . 14 1 1 A 75 75 ILE CA C 75 62.213 62.384 -0.171 1
1 903 . 14 1 1 A 75 75 ILE CB C 75 37.337 38.264 -0.927 1
1 907 . 14 1 1 A 75 75 ILE N N 75 113.373 123.864 -10.491 1
1 908 . 14 1 1 A 76 76 LYS H H 76 9.047 8.160 0.887 1
1 909 . 14 1 1 A 76 76 LYS HA H 76 4.282 4.492 -0.210 1
1 918 . 14 1 1 A 76 76 LYS C C 76 180.009 178.447 1.562 1
1 919 . 14 1 1 A 76 76 LYS CA C 76 59.482 57.118 2.364 1
1 920 . 14 1 1 A 76 76 LYS CB C 76 32.740 34.976 -2.236 1
1 924 . 14 1 1 A 76 76 LYS N N 76 124.954 120.945 4.009 1
1 925 . 14 1 1 A 77 77 GLY H H 77 9.775 8.317 1.458 1
1 926 . 14 1 1 A 77 77 GLY HA2 H 77 3.786 3.346 0.440 1
1 927 . 14 1 1 A 77 77 GLY HA3 H 77 3.618 3.435 0.183 1
1 928 . 14 1 1 A 77 77 GLY C C 77 175.261 176.476 -1.215 1
1 929 . 14 1 1 A 77 77 GLY CA C 77 47.402 47.106 0.296 1
1 930 . 14 1 1 A 77 77 GLY N N 77 101.199 108.116 -6.917 1
1 931 . 14 1 1 A 78 78 TRP H H 78 7.817 7.988 -0.171 1
1 932 . 14 1 1 A 78 78 TRP HA H 78 4.017 4.807 -0.790 1
1 940 . 14 1 1 A 78 78 TRP C C 78 177.610 178.051 -0.441 1
1 941 . 14 1 1 A 78 78 TRP CA C 78 61.524 60.128 1.396 1
1 942 . 14 1 1 A 78 78 TRP CB C 78 28.655 29.640 -0.985 1
1 943 . 14 1 1 A 78 78 TRP N N 78 120.203 122.235 -2.032 1
1 944 . 14 1 1 A 79 79 ASP H H 79 6.967 8.317 -1.350 1
1 945 . 14 1 1 A 79 79 ASP HA H 79 4.738 4.411 0.327 1
1 948 . 14 1 1 A 79 79 ASP C C 79 179.125 178.908 0.217 1
1 949 . 14 1 1 A 79 79 ASP CA C 79 58.492 57.658 0.834 1
1 950 . 14 1 1 A 79 79 ASP CB C 79 41.181 41.799 -0.618 1
1 951 . 14 1 1 A 79 79 ASP N N 79 121.688 120.052 1.636 1
1 952 . 14 1 1 A 80 80 ILE H H 80 8.173 8.173 0.000 1
1 953 . 14 1 1 A 80 80 ILE HA H 80 3.617 3.682 -0.065 1
1 963 . 14 1 1 A 80 80 ILE C C 80 177.849 177.966 -0.117 1
1 964 . 14 1 1 A 80 80 ILE CA C 80 64.758 65.080 -0.322 1
1 965 . 14 1 1 A 80 80 ILE CB C 80 39.198 38.020 1.178 1
1 969 . 14 1 1 A 80 80 ILE N N 80 118.125 118.759 -0.634 1
1 970 . 14 1 1 A 81 81 CYS H H 81 7.961 8.186 -0.225 1
1 971 . 14 1 1 A 81 81 CYS HA H 81 4.456 4.162 0.294 1
1 974 . 14 1 1 A 81 81 CYS C C 81 178.812 176.924 1.888 1
1 975 . 14 1 1 A 81 81 CYS CA C 81 63.059 62.215 0.844 1
1 976 . 14 1 1 A 81 81 CYS CB C 81 27.732 27.188 0.544 1
1 977 . 14 1 1 A 81 81 CYS N N 81 116.937 121.158 -4.221 1
1 978 . 14 1 1 A 82 82 VAL H H 82 9.434 8.315 1.119 1
1 979 . 14 1 1 A 82 82 VAL HA H 82 3.476 3.825 -0.349 1
1 987 . 14 1 1 A 82 82 VAL C C 82 176.456 177.771 -1.315 1
1 988 . 14 1 1 A 82 82 VAL CA C 82 66.977 65.045 1.932 1
1 989 . 14 1 1 A 82 82 VAL CB C 82 30.171 31.792 -1.621 1
1 992 . 14 1 1 A 82 82 VAL N N 82 121.688 119.210 2.478 1
1 993 . 14 1 1 A 83 83 SER H H 83 7.541 7.894 -0.353 1
1 994 . 14 1 1 A 83 83 SER HA H 83 3.964 4.326 -0.362 1
1 997 . 14 1 1 A 83 83 SER C C 83 173.661 175.362 -1.701 1
1 998 . 14 1 1 A 83 83 SER CA C 83 61.551 60.662 0.889 1
1 999 . 14 1 1 A 83 83 SER CB C 83 63.239 63.030 0.209 1
1 1000 . 14 1 1 A 83 83 SER N N 83 111.889 115.372 -3.483 1
1 1001 . 14 1 1 A 84 84 SER H H 84 7.471 7.519 -0.048 1
1 1002 . 14 1 1 A 84 84 SER HA H 84 4.530 4.672 -0.142 1
1 1005 . 14 1 1 A 84 84 SER C C 84 174.314 174.507 -0.193 1
1 1006 . 14 1 1 A 84 84 SER CA C 84 58.440 58.262 0.178 1
1 1007 . 14 1 1 A 84 84 SER CB C 84 65.929 63.903 2.026 1
1 1008 . 14 1 1 A 84 84 SER N N 84 114.264 115.777 -1.513 1
1 1009 . 14 1 1 A 85 85 MET H H 85 7.441 7.285 0.156 1
1 1010 . 14 1 1 A 85 85 MET HA H 85 4.262 4.813 -0.551 1
1 1015 . 14 1 1 A 85 85 MET C C 85 172.768 174.547 -1.779 1
1 1016 . 14 1 1 A 85 85 MET CA C 85 56.502 54.250 2.252 1
1 1017 . 14 1 1 A 85 85 MET CB C 85 36.378 34.838 1.540 1
1 1019 . 14 1 1 A 85 85 MET N N 85 124.657 120.375 4.282 1
1 1020 . 14 1 1 A 86 86 ARG H H 86 7.045 8.408 -1.363 1
1 1021 . 14 1 1 A 86 86 ARG HA H 86 4.879 4.642 0.237 1
1 1028 . 14 1 1 A 86 86 ARG C C 86 177.468 176.287 1.181 1
1 1029 . 14 1 1 A 86 86 ARG CA C 86 53.395 53.771 -0.376 1
1 1030 . 14 1 1 A 86 86 ARG CB C 86 33.244 33.327 -0.083 1
1 1033 . 14 1 1 A 86 86 ARG N N 86 114.264 118.500 -4.236 1
1 1034 . 14 1 1 A 87 87 LYS H H 87 8.818 8.385 0.433 1
1 1035 . 14 1 1 A 87 87 LYS HA H 87 3.554 3.628 -0.074 1
1 1044 . 14 1 1 A 87 87 LYS C C 87 175.382 177.115 -1.733 1
1 1045 . 14 1 1 A 87 87 LYS CA C 87 60.175 58.135 2.040 1
1 1046 . 14 1 1 A 87 87 LYS CB C 87 33.195 32.296 0.899 1
1 1050 . 14 1 1 A 87 87 LYS N N 87 121.391 122.947 -1.556 1
1 1051 . 14 1 1 A 88 88 ASN H H 88 8.943 7.897 1.046 1
1 1052 . 14 1 1 A 88 88 ASN HA H 88 4.291 4.941 -0.650 1
1 1057 . 14 1 1 A 88 88 ASN C C 88 174.124 174.537 -0.413 1
1 1058 . 14 1 1 A 88 88 ASN CA C 88 56.703 52.864 3.839 1
1 1059 . 14 1 1 A 88 88 ASN CB C 88 36.677 39.903 -3.226 1
1 1060 . 14 1 1 A 88 88 ASN N N 88 116.640 114.972 1.668 1
1 1062 . 14 1 1 A 89 89 GLU H H 89 8.677 7.644 1.033 1
1 1063 . 14 1 1 A 89 89 GLU HA H 89 4.358 4.416 -0.058 1
1 1068 . 14 1 1 A 89 89 GLU C C 89 174.903 175.481 -0.578 1
1 1069 . 14 1 1 A 89 89 GLU CA C 89 56.190 56.502 -0.312 1
1 1070 . 14 1 1 A 89 89 GLU CB C 89 33.096 30.909 2.187 1
1 1072 . 14 1 1 A 89 89 GLU N N 89 122.876 121.025 1.851 1
1 1073 . 14 1 1 A 90 90 LYS H H 90 8.580 8.506 0.074 1
1 1074 . 14 1 1 A 90 90 LYS HA H 90 5.542 5.027 0.515 1
1 1083 . 14 1 1 A 90 90 LYS C C 90 175.593 174.576 1.017 1
1 1084 . 14 1 1 A 90 90 LYS CA C 90 54.210 55.818 -1.608 1
1 1085 . 14 1 1 A 90 90 LYS CB C 90 36.189 36.031 0.158 1
1 1089 . 14 1 1 A 90 90 LYS N N 90 123.469 121.706 1.763 1
1 1090 . 14 1 1 A 91 91 CYS H H 91 9.673 8.227 1.446 1
1 1091 . 14 1 1 A 91 91 CYS HA H 91 5.524 4.925 0.599 1
1 1094 . 14 1 1 A 91 91 CYS C C 91 170.527 172.671 -2.144 1
1 1095 . 14 1 1 A 91 91 CYS CA C 91 54.690 57.860 -3.170 1
1 1096 . 14 1 1 A 91 91 CYS CB C 91 32.542 32.729 -0.187 1
1 1097 . 14 1 1 A 91 91 CYS N N 91 122.579 123.156 -0.577 1
1 1098 . 14 1 1 A 92 92 LEU H H 92 8.984 8.265 0.719 1
1 1099 . 14 1 1 A 92 92 LEU HA H 92 5.458 5.242 0.216 1
1 1109 . 14 1 1 A 92 92 LEU C C 92 175.596 175.015 0.581 1
1 1110 . 14 1 1 A 92 92 LEU CA C 92 53.413 53.383 0.030 1
1 1111 . 14 1 1 A 92 92 LEU CB C 92 44.972 43.638 1.334 1
1 1115 . 14 1 1 A 92 92 LEU N N 92 122.282 122.083 0.199 1
1 1116 . 14 1 1 A 93 93 VAL H H 93 10.107 8.905 1.202 1
1 1117 . 14 1 1 A 93 93 VAL HA H 93 5.506 4.685 0.821 1
1 1125 . 14 1 1 A 93 93 VAL C C 93 171.051 173.850 -2.799 1
1 1126 . 14 1 1 A 93 93 VAL CA C 93 58.200 59.942 -1.742 1
1 1127 . 14 1 1 A 93 93 VAL CB C 93 35.276 33.861 1.415 1
1 1130 . 14 1 1 A 93 93 VAL N N 93 126.224 125.825 0.399 1
1 1131 . 14 1 1 A 94 94 ARG H H 94 8.949 8.612 0.337 1
1 1132 . 14 1 1 A 94 94 ARG HA H 94 5.133 4.701 0.432 1
1 1139 . 14 1 1 A 94 94 ARG C C 94 175.823 175.168 0.655 1
1 1140 . 14 1 1 A 94 94 ARG CA C 94 56.219 55.449 0.770 1
1 1141 . 14 1 1 A 94 94 ARG CB C 94 32.039 30.742 1.297 1
1 1144 . 14 1 1 A 94 94 ARG N N 94 130.596 126.986 3.610 1
1 1145 . 14 1 1 A 95 95 ILE H H 95 9.655 9.185 0.470 1
1 1146 . 14 1 1 A 95 95 ILE HA H 95 4.899 4.643 0.256 1
1 1156 . 14 1 1 A 95 95 ILE C C 95 175.215 175.081 0.134 1
1 1157 . 14 1 1 A 95 95 ILE CA C 95 60.582 60.273 0.309 1
1 1158 . 14 1 1 A 95 95 ILE CB C 95 37.359 37.699 -0.340 1
1 1162 . 14 1 1 A 95 95 ILE N N 95 129.905 126.067 3.838 1
1 1163 . 14 1 1 A 96 96 GLU H H 96 9.213 8.791 0.422 1
1 1164 . 14 1 1 A 96 96 GLU HA H 96 4.320 4.385 -0.065 1
1 1169 . 14 1 1 A 96 96 GLU C C 96 177.897 177.536 0.361 1
1 1170 . 14 1 1 A 96 96 GLU CA C 96 57.568 55.271 2.297 1
1 1171 . 14 1 1 A 96 96 GLU CB C 96 29.676 31.056 -1.380 1
1 1173 . 14 1 1 A 96 96 GLU N N 96 126.439 128.807 -2.368 1
1 1174 . 14 1 1 A 97 97 SER H H 97 8.693 8.770 -0.077 1
1 1175 . 14 1 1 A 97 97 SER HA H 97 4.370 4.061 0.309 1
1 1178 . 14 1 1 A 97 97 SER C C 97 178.668 175.312 3.356 1
1 1179 . 14 1 1 A 97 97 SER CA C 97 62.800 61.838 0.962 1
1 1180 . 14 1 1 A 97 97 SER CB C 97 64.591 62.544 2.047 1
1 1181 . 14 1 1 A 97 97 SER N N 97 115.749 119.201 -3.452 1
1 1182 . 14 1 1 A 98 98 MET H H 98 8.937 8.191 0.746 1
1 1183 . 14 1 1 A 98 98 MET HA H 98 4.170 4.228 -0.058 1
1 1188 . 14 1 1 A 98 98 MET C C 98 179.250 176.268 2.982 1
1 1189 . 14 1 1 A 98 98 MET CA C 98 58.702 56.946 1.756 1
1 1190 . 14 1 1 A 98 98 MET CB C 98 31.047 32.002 -0.955 1
1 1192 . 14 1 1 A 98 98 MET N N 98 121.985 118.417 3.568 1
1 1193 . 14 1 1 A 99 99 TYR H H 99 7.927 7.903 0.024 1
1 1194 . 14 1 1 A 99 99 TYR HA H 99 4.435 4.555 -0.120 1
1 1201 . 14 1 1 A 99 99 TYR C C 99 173.125 175.749 -2.624 1
1 1202 . 14 1 1 A 99 99 TYR CA C 99 58.064 58.607 -0.543 1
1 1203 . 14 1 1 A 99 99 TYR CB C 99 39.570 39.226 0.344 1
1 1204 . 14 1 1 A 99 99 TYR N N 99 116.640 117.777 -1.137 1
1 1205 . 14 1 1 A 100 100 GLY H H 100 7.802 7.530 0.272 1
1 1206 . 14 1 1 A 100 100 GLY HA2 H 100 3.223 4.113 -0.890 1
1 1207 . 14 1 1 A 100 100 GLY HA3 H 100 4.309 4.141 0.168 1
1 1208 . 14 1 1 A 100 100 GLY C C 100 173.213 172.635 0.578 1
1 1209 . 14 1 1 A 100 100 GLY CA C 100 45.062 44.138 0.924 1
1 1210 . 14 1 1 A 100 100 GLY N N 100 110.998 107.275 3.723 1
1 1211 . 14 1 1 A 101 101 TYR H H 101 9.407 8.556 0.851 1
1 1212 . 14 1 1 A 101 101 TYR HA H 101 4.443 4.799 -0.356 1
1 1219 . 14 1 1 A 101 101 TYR C C 101 176.014 175.872 0.142 1
1 1220 . 14 1 1 A 101 101 TYR CA C 101 58.944 56.730 2.214 1
1 1221 . 14 1 1 A 101 101 TYR CB C 101 37.732 37.506 0.226 1
1 1222 . 14 1 1 A 101 101 TYR N N 101 126.439 119.558 6.881 1
1 1223 . 14 1 1 A 102 102 GLY H H 102 8.231 8.735 -0.504 1
1 1224 . 14 1 1 A 102 102 GLY HA2 H 102 4.001 4.007 -0.006 1
1 1225 . 14 1 1 A 102 102 GLY HA3 H 102 3.715 4.039 -0.324 1
1 1226 . 14 1 1 A 102 102 GLY C C 102 175.685 175.298 0.387 1
1 1227 . 14 1 1 A 102 102 GLY CA C 102 46.447 45.837 0.610 1
1 1228 . 14 1 1 A 102 102 GLY N N 102 107.138 113.861 -6.723 1
1 1229 . 14 1 1 A 103 103 ASP H H 103 8.983 7.995 0.988 1
1 1230 . 14 1 1 A 103 103 ASP HA H 103 4.277 4.360 -0.083 1
1 1233 . 14 1 1 A 103 103 ASP C C 103 176.677 178.437 -1.760 1
1 1234 . 14 1 1 A 103 103 ASP CA C 103 56.352 56.856 -0.504 1
1 1235 . 14 1 1 A 103 103 ASP CB C 103 40.640 41.019 -0.379 1
1 1236 . 14 1 1 A 103 103 ASP N N 103 124.954 120.736 4.218 1
1 1237 . 14 1 1 A 104 104 GLU H H 104 8.552 7.856 0.696 1
1 1238 . 14 1 1 A 104 104 GLU HA H 104 4.139 4.439 -0.300 1
1 1243 . 14 1 1 A 104 104 GLU C C 104 179.142 176.749 2.393 1
1 1244 . 14 1 1 A 104 104 GLU CA C 104 58.100 56.734 1.366 1
1 1245 . 14 1 1 A 104 104 GLU CB C 104 30.076 30.344 -0.268 1
1 1247 . 14 1 1 A 104 104 GLU N N 104 117.531 117.415 0.116 1
1 1248 . 14 1 1 A 105 105 GLY H H 105 7.188 8.221 -1.033 1
1 1249 . 14 1 1 A 105 105 GLY HA2 H 105 3.137 3.956 -0.819 1
1 1250 . 14 1 1 A 105 105 GLY HA3 H 105 4.012 3.979 0.033 1
1 1251 . 14 1 1 A 105 105 GLY C C 105 171.730 174.692 -2.962 1
1 1252 . 14 1 1 A 105 105 GLY CA C 105 44.214 45.159 -0.945 1
1 1253 . 14 1 1 A 105 105 GLY N N 105 104.168 108.289 -4.121 1
1 1254 . 14 1 1 A 106 106 CYS H H 106 9.026 7.978 1.048 1
1 1255 . 14 1 1 A 106 106 CYS HA H 106 4.253 4.380 -0.127 1
1 1258 . 14 1 1 A 106 106 CYS C C 106 173.438 174.783 -1.345 1
1 1259 . 14 1 1 A 106 106 CYS CA C 106 57.814 58.946 -1.132 1
1 1260 . 14 1 1 A 106 106 CYS CB C 106 26.162 27.314 -1.152 1
1 1261 . 14 1 1 A 106 106 CYS N N 106 121.949 119.870 2.079 1
1 1262 . 14 1 1 A 107 107 GLY H H 107 8.584 8.125 0.459 1
1 1263 . 14 1 1 A 107 107 GLY HA2 H 107 3.706 4.502 -0.796 1
1 1264 . 14 1 1 A 107 107 GLY HA3 H 107 3.954 4.514 -0.560 1
1 1265 . 14 1 1 A 107 107 GLY C C 107 173.461 174.742 -1.281 1
1 1266 . 14 1 1 A 107 107 GLY CA C 107 45.258 43.939 1.319 1
1 1267 . 14 1 1 A 107 107 GLY N N 107 114.561 111.774 2.787 1
1 1268 . 14 1 1 A 108 108 GLU H H 108 8.503 9.027 -0.524 1
1 1269 . 14 1 1 A 108 108 GLU HA H 108 4.051 3.972 0.079 1
1 1274 . 14 1 1 A 108 108 GLU C C 108 178.118 178.458 -0.340 1
1 1275 . 14 1 1 A 108 108 GLU CA C 108 57.478 59.354 -1.876 1
1 1276 . 14 1 1 A 108 108 GLU CB C 108 29.835 30.084 -0.249 1
1 1278 . 14 1 1 A 108 108 GLU N N 108 119.609 121.928 -2.319 1
1 1279 . 14 1 1 A 109 109 SER H H 109 8.082 7.983 0.099 1
1 1280 . 14 1 1 A 109 109 SER HA H 109 4.127 4.350 -0.223 1
1 1283 . 14 1 1 A 109 109 SER C C 109 173.569 174.983 -1.414 1
1 1284 . 14 1 1 A 109 109 SER CA C 109 60.141 60.682 -0.541 1
1 1285 . 14 1 1 A 109 109 SER CB C 109 63.935 63.313 0.622 1
1 1286 . 14 1 1 A 109 109 SER N N 109 112.186 114.971 -2.785 1
1 1287 . 14 1 1 A 110 110 ILE H H 110 6.570 7.874 -1.304 1
1 1288 . 14 1 1 A 110 110 ILE HA H 110 4.235 4.550 -0.315 1
1 1298 . 14 1 1 A 110 110 ILE CA C 110 58.031 57.899 0.132 1
1 1299 . 14 1 1 A 110 110 ILE CB C 110 39.086 38.566 0.520 1
1 1303 . 14 1 1 A 110 110 ILE N N 110 116.937 115.231 1.706 1
1 1304 . 14 1 1 A 111 111 PRO HA H 111 4.510 4.787 -0.277 1
1 1311 . 14 1 1 A 111 111 PRO C C 111 179.076 177.693 1.383 1
1 1312 . 14 1 1 A 111 111 PRO CA C 111 61.703 62.677 -0.974 1
1 1313 . 14 1 1 A 111 111 PRO CB C 111 32.729 32.881 -0.152 1
1 1316 . 14 1 1 A 112 112 GLY H H 112 9.018 8.799 0.219 1
1 1317 . 14 1 1 A 112 112 GLY HA2 H 112 3.461 4.038 -0.577 1
1 1318 . 14 1 1 A 112 112 GLY HA3 H 112 3.714 4.040 -0.326 1
1 1319 . 14 1 1 A 112 112 GLY C C 112 172.723 174.852 -2.129 1
1 1320 . 14 1 1 A 112 112 GLY CA C 112 46.262 45.453 0.809 1
1 1321 . 14 1 1 A 112 112 GLY N N 112 111.592 109.325 2.267 1
1 1322 . 14 1 1 A 113 113 ASN H H 113 8.381 8.526 -0.145 1
1 1323 . 14 1 1 A 113 113 ASN HA H 113 4.278 4.317 -0.039 1
1 1328 . 14 1 1 A 113 113 ASN C C 113 174.643 173.973 0.670 1
1 1329 . 14 1 1 A 113 113 ASN CA C 113 54.388 54.651 -0.263 1
1 1330 . 14 1 1 A 113 113 ASN CB C 113 37.204 37.101 0.103 1
1 1331 . 14 1 1 A 113 113 ASN N N 113 116.937 110.753 6.184 1
1 1333 . 14 1 1 A 114 114 SER H H 114 7.617 7.996 -0.379 1
1 1334 . 14 1 1 A 114 114 SER HA H 114 4.517 4.653 -0.136 1
1 1337 . 14 1 1 A 114 114 SER C C 114 172.904 172.999 -0.095 1
1 1338 . 14 1 1 A 114 114 SER CA C 114 59.864 57.375 2.489 1
1 1339 . 14 1 1 A 114 114 SER CB C 114 64.678 65.815 -1.137 1
1 1340 . 14 1 1 A 114 114 SER N N 114 113.077 113.684 -0.607 1
1 1341 . 14 1 1 A 115 115 VAL H H 115 8.500 8.484 0.016 1
1 1342 . 14 1 1 A 115 115 VAL HA H 115 4.341 5.256 -0.915 1
1 1350 . 14 1 1 A 115 115 VAL C C 115 176.075 174.070 2.005 1
1 1351 . 14 1 1 A 115 115 VAL CA C 115 62.705 59.725 2.980 1
1 1352 . 14 1 1 A 115 115 VAL CB C 115 31.546 34.112 -2.566 1
1 1355 . 14 1 1 A 115 115 VAL N N 115 124.360 121.332 3.028 1
1 1356 . 14 1 1 A 116 116 LEU H H 116 9.104 9.405 -0.301 1
1 1357 . 14 1 1 A 116 116 LEU HA H 116 5.002 4.870 0.132 1
1 1367 . 14 1 1 A 116 116 LEU C C 116 174.923 175.685 -0.762 1
1 1368 . 14 1 1 A 116 116 LEU CA C 116 53.123 53.241 -0.118 1
1 1369 . 14 1 1 A 116 116 LEU CB C 116 45.379 45.543 -0.164 1
1 1373 . 14 1 1 A 116 116 LEU N N 116 128.814 129.631 -0.817 1
1 1374 . 14 1 1 A 117 117 LEU H H 117 9.009 8.623 0.386 1
1 1375 . 14 1 1 A 117 117 LEU HA H 117 5.601 5.136 0.465 1
1 1385 . 14 1 1 A 117 117 LEU C C 117 176.574 175.071 1.503 1
1 1386 . 14 1 1 A 117 117 LEU CA C 117 52.750 53.074 -0.324 1
1 1387 . 14 1 1 A 117 117 LEU CB C 117 44.693 44.808 -0.115 1
1 1391 . 14 1 1 A 117 117 LEU N N 117 121.391 120.955 0.436 1
1 1392 . 14 1 1 A 118 118 PHE H H 118 9.375 8.881 0.494 1
1 1393 . 14 1 1 A 118 118 PHE HA H 118 6.155 4.906 1.249 1
1 1401 . 14 1 1 A 118 118 PHE C C 118 176.518 175.398 1.120 1
1 1402 . 14 1 1 A 118 118 PHE CA C 118 55.411 56.332 -0.921 1
1 1403 . 14 1 1 A 118 118 PHE CB C 118 42.385 41.897 0.488 1
1 1404 . 14 1 1 A 118 118 PHE N N 118 117.531 122.421 -4.890 1
1 1405 . 14 1 1 A 119 119 GLU H H 119 8.905 9.771 -0.866 1
1 1406 . 14 1 1 A 119 119 GLU HA H 119 5.604 4.596 1.008 1
1 1411 . 14 1 1 A 119 119 GLU C C 119 175.947 175.938 0.009 1
1 1412 . 14 1 1 A 119 119 GLU CA C 119 60.489 56.907 3.582 1
1 1413 . 14 1 1 A 119 119 GLU CB C 119 31.189 30.063 1.126 1
1 1415 . 14 1 1 A 119 119 GLU N N 119 122.876 124.200 -1.324 1
1 1416 . 14 1 1 A 120 120 ILE H H 120 8.912 9.143 -0.231 1
1 1417 . 14 1 1 A 120 120 ILE HA H 120 4.965 4.850 0.115 1
1 1427 . 14 1 1 A 120 120 ILE C C 120 173.341 174.224 -0.883 1
1 1428 . 14 1 1 A 120 120 ILE CA C 120 60.568 60.233 0.335 1
1 1429 . 14 1 1 A 120 120 ILE CB C 120 41.927 38.496 3.431 1
1 1433 . 14 1 1 A 120 120 ILE N N 120 123.000 126.800 -3.800 1
1 1434 . 14 1 1 A 121 121 GLU H H 121 9.074 9.023 0.051 1
1 1435 . 14 1 1 A 121 121 GLU HA H 121 5.445 5.103 0.342 1
1 1440 . 14 1 1 A 121 121 GLU C C 121 175.254 174.644 0.610 1
1 1441 . 14 1 1 A 121 121 GLU CA C 121 53.941 54.606 -0.665 1
1 1442 . 14 1 1 A 121 121 GLU CB C 121 33.897 32.823 1.074 1
1 1444 . 14 1 1 A 121 121 GLU N N 121 128.221 129.740 -1.519 1
1 1445 . 14 1 1 A 122 122 LEU H H 122 8.112 8.717 -0.605 1
1 1446 . 14 1 1 A 122 122 LEU HA H 122 4.680 4.560 0.120 1
1 1456 . 14 1 1 A 122 122 LEU C C 122 174.472 176.634 -2.162 1
1 1457 . 14 1 1 A 122 122 LEU CA C 122 54.403 54.404 -0.001 1
1 1458 . 14 1 1 A 122 122 LEU CB C 122 40.796 42.278 -1.482 1
1 1462 . 14 1 1 A 122 122 LEU N N 122 127.033 128.200 -1.167 1
1 1463 . 14 1 1 A 123 123 LEU H H 123 8.704 8.582 0.122 1
1 1464 . 14 1 1 A 123 123 LEU HA H 123 4.385 4.546 -0.161 1
1 1474 . 14 1 1 A 123 123 LEU C C 123 177.614 176.742 0.872 1
1 1475 . 14 1 1 A 123 123 LEU CA C 123 57.095 54.996 2.099 1
1 1476 . 14 1 1 A 123 123 LEU CB C 123 42.226 42.812 -0.586 1
1 1480 . 14 1 1 A 123 123 LEU N N 123 128.814 123.744 5.070 1
1 1481 . 14 1 1 A 124 124 SER H H 124 7.602 7.587 0.015 1
1 1482 . 14 1 1 A 124 124 SER HA H 124 4.161 4.942 -0.781 1
1 1485 . 14 1 1 A 124 124 SER C C 124 171.375 172.528 -1.153 1
1 1486 . 14 1 1 A 124 124 SER CA C 124 57.545 57.752 -0.207 1
1 1487 . 14 1 1 A 124 124 SER CB C 124 63.359 65.373 -2.014 1
1 1488 . 14 1 1 A 124 124 SER N N 124 105.653 112.743 -7.090 1
1 1489 . 14 1 1 A 125 125 PHE H H 125 7.818 9.135 -1.317 1
1 1490 . 14 1 1 A 125 125 PHE HA H 125 5.451 5.325 0.126 1
1 1498 . 14 1 1 A 125 125 PHE C C 125 173.154 173.114 0.040 1
1 1499 . 14 1 1 A 125 125 PHE CA C 125 56.463 56.144 0.319 1
1 1500 . 14 1 1 A 125 125 PHE CB C 125 42.301 41.350 0.951 1
1 1501 . 14 1 1 A 125 125 PHE N N 125 113.373 119.229 -5.856 1
1 1502 . 14 1 1 A 126 126 ARG H H 126 8.934 8.766 0.168 1
1 1503 . 14 1 1 A 126 126 ARG HA H 126 4.693 4.766 -0.073 1
1 1510 . 14 1 1 A 126 126 ARG C C 126 174.013 174.064 -0.051 1
1 1511 . 14 1 1 A 126 126 ARG CA C 126 54.654 54.413 0.241 1
1 1512 . 14 1 1 A 126 126 ARG CB C 126 33.064 33.917 -0.853 1
1 1515 . 14 1 1 A 126 126 ARG N N 126 116.046 118.243 -2.197 1
1 1516 . 14 1 1 A 127 127 GLU H H 127 8.665 8.359 0.306 1
1 1517 . 14 1 1 A 127 127 GLU HA H 127 4.436 5.097 -0.661 1
1 1522 . 14 1 1 A 127 127 GLU C C 127 176.050 175.665 0.385 1
1 1523 . 14 1 1 A 127 127 GLU CA C 127 55.552 55.240 0.312 1
1 1524 . 14 1 1 A 127 127 GLU CB C 127 30.600 31.942 -1.342 1
1 1 . 15 1 1 A 2 2 THR HA H 2 4.479 4.007 0.472 1
1 6 . 15 1 1 A 2 2 THR C C 2 174.348 174.062 0.286 1
1 7 . 15 1 1 A 2 2 THR CA C 2 61.838 65.710 -3.872 1
1 8 . 15 1 1 A 2 2 THR CB C 2 69.919 69.224 0.695 1
1 10 . 15 1 1 A 3 3 THR H H 3 8.289 8.004 0.285 1
1 11 . 15 1 1 A 3 3 THR HA H 3 4.282 3.961 0.321 1
1 16 . 15 1 1 A 3 3 THR C C 3 174.404 174.207 0.197 1
1 17 . 15 1 1 A 3 3 THR CA C 3 62.140 62.830 -0.690 1
1 18 . 15 1 1 A 3 3 THR CB C 3 69.658 66.179 3.479 1
1 20 . 15 1 1 A 3 3 THR N N 3 116.640 112.388 4.252 1
1 21 . 15 1 1 A 4 4 GLU H H 4 8.567 8.530 0.037 1
1 22 . 15 1 1 A 4 4 GLU HA H 4 4.156 4.109 0.047 1
1 27 . 15 1 1 A 4 4 GLU C C 4 176.216 174.475 1.741 1
1 28 . 15 1 1 A 4 4 GLU CA C 4 56.929 58.416 -1.487 1
1 29 . 15 1 1 A 4 4 GLU CB C 4 29.821 28.207 1.614 1
1 31 . 15 1 1 A 4 4 GLU N N 4 123.469 113.497 9.972 1
1 32 . 15 1 1 A 5 5 GLN H H 5 8.222 8.432 -0.210 1
1 33 . 15 1 1 A 5 5 GLN HA H 5 4.167 4.887 -0.720 1
1 40 . 15 1 1 A 5 5 GLN C C 5 175.216 174.257 0.959 1
1 41 . 15 1 1 A 5 5 GLN CA C 5 55.674 54.522 1.152 1
1 42 . 15 1 1 A 5 5 GLN CB C 5 29.553 31.153 -1.600 1
1 45 . 15 1 1 A 5 5 GLN N N 5 120.797 120.905 -0.108 1
1 47 . 15 1 1 A 6 6 GLU H H 6 8.171 8.665 -0.494 1
1 48 . 15 1 1 A 6 6 GLU HA H 6 4.080 4.203 -0.123 1
1 53 . 15 1 1 A 6 6 GLU C C 6 175.870 175.325 0.545 1
1 54 . 15 1 1 A 6 6 GLU CA C 6 56.400 55.151 1.249 1
1 55 . 15 1 1 A 6 6 GLU CB C 6 30.335 28.479 1.856 1
1 57 . 15 1 1 A 6 6 GLU N N 6 122.100 125.092 -2.992 1
1 58 . 15 1 1 A 7 7 PHE H H 7 8.051 7.295 0.756 1
1 59 . 15 1 1 A 7 7 PHE HA H 7 4.710 4.997 -0.287 1
1 67 . 15 1 1 A 7 7 PHE C C 7 175.461 174.798 0.663 1
1 68 . 15 1 1 A 7 7 PHE CA C 7 56.825 55.591 1.234 1
1 69 . 15 1 1 A 7 7 PHE CB C 7 39.812 40.524 -0.712 1
1 70 . 15 1 1 A 7 7 PHE N N 7 120.500 122.073 -1.573 1
1 71 . 15 1 1 A 8 8 GLU H H 8 8.626 8.741 -0.115 1
1 72 . 15 1 1 A 8 8 GLU HA H 8 4.193 4.610 -0.417 1
1 77 . 15 1 1 A 8 8 GLU C C 8 176.141 176.220 -0.079 1
1 78 . 15 1 1 A 8 8 GLU CA C 8 56.932 56.357 0.575 1
1 79 . 15 1 1 A 8 8 GLU CB C 8 30.794 30.734 0.060 1
1 81 . 15 1 1 A 8 8 GLU N N 8 123.469 122.792 0.677 1
1 82 . 15 1 1 A 9 9 LYS H H 9 8.396 8.628 -0.232 1
1 83 . 15 1 1 A 9 9 LYS HA H 9 5.100 4.872 0.228 1
1 92 . 15 1 1 A 9 9 LYS C C 9 176.168 175.436 0.732 1
1 93 . 15 1 1 A 9 9 LYS CA C 9 55.428 55.033 0.395 1
1 94 . 15 1 1 A 9 9 LYS CB C 9 34.214 34.553 -0.339 1
1 98 . 15 1 1 A 9 9 LYS N N 9 124.954 124.857 0.097 1
1 99 . 15 1 1 A 10 10 VAL H H 10 9.445 8.467 0.978 1
1 100 . 15 1 1 A 10 10 VAL HA H 10 4.278 4.550 -0.272 1
1 108 . 15 1 1 A 10 10 VAL C C 10 174.967 175.131 -0.164 1
1 109 . 15 1 1 A 10 10 VAL CA C 10 60.951 61.553 -0.602 1
1 110 . 15 1 1 A 10 10 VAL CB C 10 34.681 31.863 2.818 1
1 113 . 15 1 1 A 10 10 VAL N N 10 124.360 123.785 0.575 1
1 114 . 15 1 1 A 11 11 GLU H H 11 9.021 8.619 0.402 1
1 115 . 15 1 1 A 11 11 GLU HA H 11 4.369 4.803 -0.434 1
1 120 . 15 1 1 A 11 11 GLU C C 11 174.797 176.000 -1.203 1
1 121 . 15 1 1 A 11 11 GLU CA C 11 56.728 55.398 1.330 1
1 122 . 15 1 1 A 11 11 GLU CB C 11 28.655 31.207 -2.552 1
1 124 . 15 1 1 A 11 11 GLU N N 11 127.924 127.285 0.639 1
1 125 . 15 1 1 A 12 12 LEU H H 12 8.396 8.701 -0.305 1
1 126 . 15 1 1 A 12 12 LEU HA H 12 4.311 3.814 0.497 1
1 136 . 15 1 1 A 12 12 LEU C C 12 176.600 175.370 1.230 1
1 137 . 15 1 1 A 12 12 LEU CA C 12 55.292 55.821 -0.529 1
1 138 . 15 1 1 A 12 12 LEU CB C 12 42.624 40.724 1.900 1
1 142 . 15 1 1 A 12 12 LEU N N 12 124.954 118.865 6.089 1
1 143 . 15 1 1 A 13 13 THR H H 13 7.328 7.830 -0.502 1
1 144 . 15 1 1 A 13 13 THR HA H 13 4.530 4.386 0.144 1
1 149 . 15 1 1 A 13 13 THR C C 13 175.180 175.653 -0.473 1
1 150 . 15 1 1 A 13 13 THR CA C 13 59.603 61.929 -2.326 1
1 151 . 15 1 1 A 13 13 THR CB C 13 70.742 69.622 1.120 1
1 153 . 15 1 1 A 13 13 THR N N 13 106.841 112.497 -5.656 1
1 154 . 15 1 1 A 14 14 ALA H H 14 8.689 8.905 -0.216 1
1 155 . 15 1 1 A 14 14 ALA HA H 14 4.247 4.097 0.150 1
1 159 . 15 1 1 A 14 14 ALA C C 14 177.522 178.129 -0.607 1
1 160 . 15 1 1 A 14 14 ALA CA C 14 53.875 54.031 -0.156 1
1 161 . 15 1 1 A 14 14 ALA CB C 14 17.920 18.702 -0.782 1
1 162 . 15 1 1 A 14 14 ALA N N 14 123.733 128.125 -4.392 1
1 163 . 15 1 1 A 15 15 ASP H H 15 7.516 7.867 -0.351 1
1 164 . 15 1 1 A 15 15 ASP HA H 15 4.518 4.798 -0.280 1
1 167 . 15 1 1 A 15 15 ASP C C 15 177.402 176.307 1.095 1
1 168 . 15 1 1 A 15 15 ASP CA C 15 52.635 53.623 -0.988 1
1 169 . 15 1 1 A 15 15 ASP CB C 15 40.912 41.184 -0.272 1
1 170 . 15 1 1 A 15 15 ASP N N 15 113.967 116.936 -2.969 1
1 171 . 15 1 1 A 16 16 GLY H H 16 7.986 7.521 0.465 1
1 172 . 15 1 1 A 16 16 GLY HA2 H 16 4.080 3.982 0.098 1
1 173 . 15 1 1 A 16 16 GLY HA3 H 16 3.529 4.004 -0.475 1
1 174 . 15 1 1 A 16 16 GLY C C 16 175.233 175.385 -0.152 1
1 175 . 15 1 1 A 16 16 GLY CA C 16 45.798 45.121 0.677 1
1 176 . 15 1 1 A 16 16 GLY N N 16 108.919 106.387 2.532 1
1 177 . 15 1 1 A 17 17 GLY H H 17 8.681 8.829 -0.148 1
1 178 . 15 1 1 A 17 17 GLY HA2 H 17 4.513 3.891 0.622 1
1 179 . 15 1 1 A 17 17 GLY HA3 H 17 4.513 3.894 0.619 1
1 180 . 15 1 1 A 17 17 GLY C C 17 172.684 174.135 -1.451 1
1 181 . 15 1 1 A 17 17 GLY CA C 17 46.672 46.554 0.118 1
1 182 . 15 1 1 A 17 17 GLY N N 17 108.663 106.610 2.053 1
1 183 . 15 1 1 A 18 18 VAL H H 18 6.903 7.643 -0.740 1
1 184 . 15 1 1 A 18 18 VAL HA H 18 4.855 4.060 0.795 1
1 192 . 15 1 1 A 18 18 VAL C C 18 174.737 174.828 -0.091 1
1 193 . 15 1 1 A 18 18 VAL CA C 18 62.035 61.422 0.613 1
1 194 . 15 1 1 A 18 18 VAL CB C 18 33.315 33.039 0.276 1
1 197 . 15 1 1 A 18 18 VAL N N 18 117.234 119.388 -2.154 1
1 198 . 15 1 1 A 19 19 ILE H H 19 8.243 8.661 -0.418 1
1 199 . 15 1 1 A 19 19 ILE HA H 19 4.665 4.968 -0.303 1
1 209 . 15 1 1 A 19 19 ILE C C 19 174.360 175.504 -1.144 1
1 210 . 15 1 1 A 19 19 ILE CA C 19 60.736 60.545 0.191 1
1 211 . 15 1 1 A 19 19 ILE CB C 19 41.856 37.625 4.231 1
1 215 . 15 1 1 A 19 19 ILE N N 19 126.439 128.388 -1.949 1
1 216 . 15 1 1 A 20 20 LYS H H 20 9.345 8.554 0.791 1
1 217 . 15 1 1 A 20 20 LYS HA H 20 5.296 5.130 0.166 1
1 226 . 15 1 1 A 20 20 LYS C C 20 173.618 174.452 -0.834 1
1 227 . 15 1 1 A 20 20 LYS CA C 20 54.842 54.610 0.232 1
1 228 . 15 1 1 A 20 20 LYS CB C 20 36.261 35.952 0.309 1
1 232 . 15 1 1 A 20 20 LYS N N 20 129.408 124.826 4.582 1
1 233 . 15 1 1 A 21 21 THR H H 21 9.597 9.308 0.289 1
1 234 . 15 1 1 A 21 21 THR HA H 21 4.923 4.720 0.203 1
1 239 . 15 1 1 A 21 21 THR C C 21 174.648 173.452 1.196 1
1 240 . 15 1 1 A 21 21 THR CA C 21 61.703 61.757 -0.054 1
1 241 . 15 1 1 A 21 21 THR CB C 21 70.230 69.790 0.440 1
1 243 . 15 1 1 A 21 21 THR N N 21 123.469 117.905 5.564 1
1 244 . 15 1 1 A 22 22 ILE H H 22 9.248 8.650 0.598 1
1 245 . 15 1 1 A 22 22 ILE HA H 22 3.637 4.335 -0.698 1
1 255 . 15 1 1 A 22 22 ILE C C 22 174.348 174.976 -0.628 1
1 256 . 15 1 1 A 22 22 ILE CA C 22 64.258 60.961 3.297 1
1 257 . 15 1 1 A 22 22 ILE CB C 22 37.551 39.028 -1.477 1
1 261 . 15 1 1 A 22 22 ILE N N 22 128.517 127.388 1.129 1
1 262 . 15 1 1 A 23 23 LEU H H 23 8.498 8.777 -0.279 1
1 263 . 15 1 1 A 23 23 LEU HA H 23 4.180 4.642 -0.462 1
1 273 . 15 1 1 A 23 23 LEU C C 23 177.521 177.154 0.367 1
1 274 . 15 1 1 A 23 23 LEU CA C 23 55.460 55.859 -0.399 1
1 275 . 15 1 1 A 23 23 LEU CB C 23 42.239 43.165 -0.926 1
1 279 . 15 1 1 A 23 23 LEU N N 23 128.517 130.388 -1.871 1
1 280 . 15 1 1 A 24 24 LYS H H 24 8.020 7.983 0.037 1
1 281 . 15 1 1 A 24 24 LYS HA H 24 4.392 4.992 -0.600 1
1 290 . 15 1 1 A 24 24 LYS C C 24 174.465 174.204 0.261 1
1 291 . 15 1 1 A 24 24 LYS CA C 24 55.848 54.703 1.145 1
1 292 . 15 1 1 A 24 24 LYS CB C 24 35.692 34.899 0.793 1
1 296 . 15 1 1 A 24 24 LYS N N 24 120.797 118.103 2.694 1
1 297 . 15 1 1 A 25 25 LYS H H 25 8.657 8.954 -0.297 1
1 298 . 15 1 1 A 25 25 LYS HA H 25 4.178 4.919 -0.741 1
1 307 . 15 1 1 A 25 25 LYS C C 25 177.616 176.676 0.940 1
1 308 . 15 1 1 A 25 25 LYS CA C 25 57.218 54.584 2.634 1
1 309 . 15 1 1 A 25 25 LYS CB C 25 32.846 34.690 -1.844 1
1 313 . 15 1 1 A 25 25 LYS N N 25 126.439 128.646 -2.207 1
1 314 . 15 1 1 A 26 26 GLY H H 26 9.728 8.700 1.028 1
1 315 . 15 1 1 A 26 26 GLY HA2 H 26 3.408 4.112 -0.704 1
1 316 . 15 1 1 A 26 26 GLY HA3 H 26 4.120 4.117 0.003 1
1 317 . 15 1 1 A 26 26 GLY C C 26 173.278 174.298 -1.020 1
1 318 . 15 1 1 A 26 26 GLY CA C 26 43.709 44.741 -1.032 1
1 319 . 15 1 1 A 26 26 GLY N N 26 110.404 113.963 -3.559 1
1 320 . 15 1 1 A 27 27 ASP H H 27 8.550 8.533 0.017 1
1 321 . 15 1 1 A 27 27 ASP HA H 27 4.401 4.586 -0.185 1
1 324 . 15 1 1 A 27 27 ASP C C 27 175.993 176.300 -0.307 1
1 325 . 15 1 1 A 27 27 ASP CA C 27 55.105 56.493 -1.388 1
1 326 . 15 1 1 A 27 27 ASP CB C 27 41.688 40.588 1.100 1
1 327 . 15 1 1 A 27 27 ASP N N 27 121.391 120.029 1.362 1
1 328 . 15 1 1 A 28 28 GLU H H 28 8.419 8.018 0.401 1
1 329 . 15 1 1 A 28 28 GLU HA H 28 4.063 4.843 -0.780 1
1 334 . 15 1 1 A 28 28 GLU C C 28 176.146 176.341 -0.195 1
1 335 . 15 1 1 A 28 28 GLU CA C 28 57.076 55.398 1.678 1
1 336 . 15 1 1 A 28 28 GLU CB C 28 30.774 32.474 -1.700 1
1 338 . 15 1 1 A 28 28 GLU N N 28 120.203 115.105 5.098 1
1 339 . 15 1 1 A 29 29 GLY H H 29 8.364 8.584 -0.220 1
1 340 . 15 1 1 A 29 29 GLY HA2 H 29 4.758 4.306 0.452 1
1 341 . 15 1 1 A 29 29 GLY HA3 H 29 4.584 4.321 0.263 1
1 342 . 15 1 1 A 29 29 GLY C C 29 175.976 174.970 1.006 1
1 343 . 15 1 1 A 29 29 GLY CA C 29 44.686 45.774 -1.088 1
1 344 . 15 1 1 A 29 29 GLY N N 29 110.404 107.380 3.024 1
1 345 . 15 1 1 A 30 30 GLU H H 30 8.867 8.112 0.755 1
1 346 . 15 1 1 A 30 30 GLU HA H 30 3.749 4.099 -0.350 1
1 351 . 15 1 1 A 30 30 GLU C C 30 177.872 177.989 -0.117 1
1 352 . 15 1 1 A 30 30 GLU CA C 30 59.045 58.893 0.152 1
1 353 . 15 1 1 A 30 30 GLU CB C 30 29.030 29.940 -0.910 1
1 355 . 15 1 1 A 30 30 GLU N N 30 125.251 120.376 4.875 1
1 356 . 15 1 1 A 31 31 GLU H H 31 9.842 8.317 1.525 1
1 357 . 15 1 1 A 31 31 GLU HA H 31 4.312 4.413 -0.101 1
1 362 . 15 1 1 A 31 31 GLU C C 31 176.330 176.385 -0.055 1
1 363 . 15 1 1 A 31 31 GLU CA C 31 57.437 56.961 0.476 1
1 364 . 15 1 1 A 31 31 GLU CB C 31 28.040 30.228 -2.188 1
1 366 . 15 1 1 A 31 31 GLU N N 31 118.421 115.675 2.746 1
1 367 . 15 1 1 A 32 32 ASN H H 32 7.731 7.849 -0.118 1
1 368 . 15 1 1 A 32 32 ASN HA H 32 5.127 5.308 -0.181 1
1 373 . 15 1 1 A 32 32 ASN C C 32 172.750 173.890 -1.140 1
1 374 . 15 1 1 A 32 32 ASN CA C 32 54.111 52.848 1.263 1
1 375 . 15 1 1 A 32 32 ASN CB C 32 40.161 36.994 3.167 1
1 376 . 15 1 1 A 32 32 ASN N N 32 116.937 118.458 -1.521 1
1 378 . 15 1 1 A 33 33 ILE H H 33 7.105 7.923 -0.818 1
1 379 . 15 1 1 A 33 33 ILE HA H 33 4.793 4.674 0.119 1
1 389 . 15 1 1 A 33 33 ILE CA C 33 57.895 58.063 -0.168 1
1 390 . 15 1 1 A 33 33 ILE CB C 33 40.609 41.745 -1.136 1
1 394 . 15 1 1 A 33 33 ILE N N 33 121.985 125.518 -3.533 1
1 395 . 15 1 1 A 34 34 PRO HA H 34 4.065 5.098 -1.033 1
1 402 . 15 1 1 A 34 34 PRO C C 34 173.754 175.936 -2.182 1
1 403 . 15 1 1 A 34 34 PRO CA C 34 61.962 62.261 -0.299 1
1 404 . 15 1 1 A 34 34 PRO CB C 34 31.877 31.478 0.399 1
1 407 . 15 1 1 A 35 35 LYS H H 35 7.101 8.794 -1.693 1
1 408 . 15 1 1 A 35 35 LYS HA H 35 4.377 4.938 -0.561 1
1 417 . 15 1 1 A 35 35 LYS C C 35 175.712 176.267 -0.555 1
1 418 . 15 1 1 A 35 35 LYS CA C 35 53.404 54.691 -1.287 1
1 419 . 15 1 1 A 35 35 LYS CB C 35 35.229 35.695 -0.466 1
1 423 . 15 1 1 A 35 35 LYS N N 35 116.046 123.308 -7.262 1
1 424 . 15 1 1 A 36 36 LYS H H 36 8.144 8.542 -0.398 1
1 425 . 15 1 1 A 36 36 LYS HA H 36 3.515 4.277 -0.762 1
1 434 . 15 1 1 A 36 36 LYS C C 36 176.774 176.890 -0.116 1
1 435 . 15 1 1 A 36 36 LYS CA C 36 58.608 56.313 2.295 1
1 436 . 15 1 1 A 36 36 LYS CB C 36 32.089 32.967 -0.878 1
1 440 . 15 1 1 A 36 36 LYS N N 36 120.797 121.944 -1.147 1
1 441 . 15 1 1 A 37 37 GLY H H 37 9.113 8.917 0.196 1
1 442 . 15 1 1 A 37 37 GLY HA2 H 37 3.494 3.973 -0.479 1
1 443 . 15 1 1 A 37 37 GLY HA3 H 37 4.330 3.989 0.341 1
1 444 . 15 1 1 A 37 37 GLY C C 37 175.329 173.861 1.468 1
1 445 . 15 1 1 A 37 37 GLY CA C 37 44.853 44.855 -0.002 1
1 446 . 15 1 1 A 37 37 GLY N N 37 113.967 112.359 1.608 1
1 447 . 15 1 1 A 38 38 ASN H H 38 8.447 7.556 0.891 1
1 448 . 15 1 1 A 38 38 ASN HA H 38 4.663 5.234 -0.571 1
1 453 . 15 1 1 A 38 38 ASN C C 38 174.878 174.140 0.738 1
1 454 . 15 1 1 A 38 38 ASN CA C 38 53.557 52.503 1.054 1
1 455 . 15 1 1 A 38 38 ASN CB C 38 39.155 40.397 -1.242 1
1 457 . 15 1 1 A 38 38 ASN N N 38 117.828 118.473 -0.645 1
1 459 . 15 1 1 A 39 39 GLU H H 39 8.331 8.557 -0.226 1
1 460 . 15 1 1 A 39 39 GLU HA H 39 4.254 4.554 -0.300 1
1 465 . 15 1 1 A 39 39 GLU C C 39 175.656 176.028 -0.372 1
1 466 . 15 1 1 A 39 39 GLU CA C 39 55.804 55.550 0.254 1
1 467 . 15 1 1 A 39 39 GLU CB C 39 31.464 30.606 0.858 1
1 469 . 15 1 1 A 39 39 GLU N N 39 121.094 121.271 -0.177 1
1 470 . 15 1 1 A 40 40 VAL H H 40 9.138 9.051 0.087 1
1 471 . 15 1 1 A 40 40 VAL HA H 40 4.699 5.043 -0.344 1
1 479 . 15 1 1 A 40 40 VAL C C 40 173.240 174.590 -1.350 1
1 480 . 15 1 1 A 40 40 VAL CA C 40 59.559 60.187 -0.628 1
1 481 . 15 1 1 A 40 40 VAL CB C 40 32.896 34.431 -1.535 1
1 484 . 15 1 1 A 40 40 VAL N N 40 125.845 122.013 3.832 1
1 485 . 15 1 1 A 41 41 THR H H 41 8.328 9.104 -0.776 1
1 486 . 15 1 1 A 41 41 THR HA H 41 4.982 4.832 0.150 1
1 491 . 15 1 1 A 41 41 THR C C 41 174.455 173.629 0.826 1
1 492 . 15 1 1 A 41 41 THR CA C 41 61.964 61.578 0.386 1
1 493 . 15 1 1 A 41 41 THR CB C 41 69.623 70.074 -0.451 1
1 495 . 15 1 1 A 41 41 THR N N 41 117.531 119.032 -1.501 1
1 496 . 15 1 1 A 42 42 VAL H H 42 9.581 8.244 1.337 1
1 497 . 15 1 1 A 42 42 VAL HA H 42 5.669 4.980 0.689 1
1 505 . 15 1 1 A 42 42 VAL C C 42 174.919 174.256 0.663 1
1 506 . 15 1 1 A 42 42 VAL CA C 42 57.930 57.917 0.013 1
1 507 . 15 1 1 A 42 42 VAL CB C 42 35.321 35.191 0.130 1
1 510 . 15 1 1 A 42 42 VAL N N 42 117.828 119.124 -1.296 1
1 511 . 15 1 1 A 43 43 HIS H H 43 8.333 8.190 0.143 1
1 512 . 15 1 1 A 43 43 HIS HA H 43 5.407 5.469 -0.062 1
1 515 . 15 1 1 A 43 43 HIS C C 43 176.136 174.189 1.947 1
1 516 . 15 1 1 A 43 43 HIS CA C 43 54.147 55.173 -1.026 1
1 517 . 15 1 1 A 43 43 HIS CB C 43 35.339 32.599 2.740 1
1 518 . 15 1 1 A 43 43 HIS N N 43 119.906 120.989 -1.083 1
1 519 . 15 1 1 A 44 44 TYR H H 44 9.622 9.015 0.607 1
1 520 . 15 1 1 A 44 44 TYR HA H 44 6.247 6.305 -0.058 1
1 527 . 15 1 1 A 44 44 TYR C C 44 172.857 173.760 -0.903 1
1 528 . 15 1 1 A 44 44 TYR CA C 44 56.304 55.917 0.387 1
1 529 . 15 1 1 A 44 44 TYR CB C 44 43.537 42.026 1.511 1
1 530 . 15 1 1 A 44 44 TYR N N 44 117.234 118.255 -1.021 1
1 531 . 15 1 1 A 45 45 VAL H H 45 8.735 8.382 0.353 1
1 532 . 15 1 1 A 45 45 VAL HA H 45 4.520 4.505 0.015 1
1 540 . 15 1 1 A 45 45 VAL C C 45 175.200 174.673 0.527 1
1 541 . 15 1 1 A 45 45 VAL CA C 45 62.212 60.176 2.036 1
1 542 . 15 1 1 A 45 45 VAL CB C 45 35.550 34.690 0.860 1
1 545 . 15 1 1 A 45 45 VAL N N 45 118.125 119.654 -1.529 1
1 546 . 15 1 1 A 46 46 GLY H H 46 9.126 8.048 1.078 1
1 547 . 15 1 1 A 46 46 GLY HA2 H 46 4.539 4.197 0.342 1
1 548 . 15 1 1 A 46 46 GLY HA3 H 46 4.506 4.252 0.254 1
1 549 . 15 1 1 A 46 46 GLY C C 46 170.771 172.017 -1.246 1
1 550 . 15 1 1 A 46 46 GLY CA C 46 45.601 46.108 -0.507 1
1 551 . 15 1 1 A 46 46 GLY N N 46 114.858 111.721 3.137 1
1 552 . 15 1 1 A 47 47 LYS H H 47 9.121 8.432 0.689 1
1 553 . 15 1 1 A 47 47 LYS HA H 47 5.176 5.475 -0.299 1
1 562 . 15 1 1 A 47 47 LYS C C 47 175.830 174.138 1.692 1
1 563 . 15 1 1 A 47 47 LYS CA C 47 53.937 54.875 -0.938 1
1 564 . 15 1 1 A 47 47 LYS CB C 47 37.021 36.024 0.997 1
1 568 . 15 1 1 A 47 47 LYS N N 47 123.469 119.386 4.083 1
1 569 . 15 1 1 A 48 48 LEU H H 48 8.016 9.557 -1.541 1
1 570 . 15 1 1 A 48 48 LEU HA H 48 4.692 4.642 0.050 1
1 580 . 15 1 1 A 48 48 LEU C C 48 178.031 176.631 1.400 1
1 581 . 15 1 1 A 48 48 LEU CA C 48 54.231 54.267 -0.036 1
1 582 . 15 1 1 A 48 48 LEU CB C 48 41.678 42.062 -0.384 1
1 586 . 15 1 1 A 48 48 LEU N N 48 121.391 123.489 -2.098 1
1 587 . 15 1 1 A 49 49 GLU H H 49 8.085 8.605 -0.520 1
1 588 . 15 1 1 A 49 49 GLU HA H 49 3.835 3.876 -0.041 1
1 593 . 15 1 1 A 49 49 GLU C C 49 178.118 177.759 0.359 1
1 594 . 15 1 1 A 49 49 GLU CA C 49 59.974 59.639 0.335 1
1 595 . 15 1 1 A 49 49 GLU CB C 49 30.322 29.220 1.102 1
1 597 . 15 1 1 A 49 49 GLU N N 49 124.954 127.457 -2.503 1
1 598 . 15 1 1 A 50 50 SER H H 50 9.220 8.236 0.984 1
1 599 . 15 1 1 A 50 50 SER HA H 50 4.154 4.241 -0.087 1
1 602 . 15 1 1 A 50 50 SER C C 50 176.751 175.588 1.163 1
1 603 . 15 1 1 A 50 50 SER CA C 50 60.230 61.049 -0.819 1
1 604 . 15 1 1 A 50 50 SER CB C 50 62.229 63.335 -1.106 1
1 605 . 15 1 1 A 50 50 SER N N 50 112.186 114.777 -2.591 1
1 606 . 15 1 1 A 51 51 THR H H 51 6.784 7.645 -0.861 1
1 607 . 15 1 1 A 51 51 THR HA H 51 4.520 4.643 -0.123 1
1 612 . 15 1 1 A 51 51 THR C C 51 176.342 174.956 1.386 1
1 613 . 15 1 1 A 51 51 THR CA C 51 60.760 61.526 -0.766 1
1 614 . 15 1 1 A 51 51 THR CB C 51 71.046 70.178 0.868 1
1 616 . 15 1 1 A 51 51 THR N N 51 105.653 113.165 -7.512 1
1 617 . 15 1 1 A 52 52 GLY H H 52 8.296 7.821 0.475 1
1 618 . 15 1 1 A 52 52 GLY HA2 H 52 3.680 3.956 -0.276 1
1 619 . 15 1 1 A 52 52 GLY HA3 H 52 4.096 3.960 0.136 1
1 620 . 15 1 1 A 52 52 GLY C C 52 173.336 174.650 -1.314 1
1 621 . 15 1 1 A 52 52 GLY CA C 52 45.711 46.672 -0.961 1
1 622 . 15 1 1 A 52 52 GLY N N 52 112.483 111.039 1.444 1
1 623 . 15 1 1 A 53 53 LYS H H 53 7.479 7.482 -0.003 1
1 624 . 15 1 1 A 53 53 LYS HA H 53 4.218 4.694 -0.476 1
1 633 . 15 1 1 A 53 53 LYS C C 53 176.513 175.792 0.721 1
1 634 . 15 1 1 A 53 53 LYS CA C 53 56.217 54.806 1.411 1
1 635 . 15 1 1 A 53 53 LYS CB C 53 33.430 34.892 -1.462 1
1 639 . 15 1 1 A 53 53 LYS N N 53 119.609 119.935 -0.326 1
1 640 . 15 1 1 A 54 54 VAL H H 54 8.511 8.518 -0.007 1
1 641 . 15 1 1 A 54 54 VAL HA H 54 4.244 4.216 0.028 1
1 649 . 15 1 1 A 54 54 VAL C C 54 176.879 176.229 0.650 1
1 650 . 15 1 1 A 54 54 VAL CA C 54 62.409 62.678 -0.269 1
1 651 . 15 1 1 A 54 54 VAL CB C 54 32.697 33.013 -0.316 1
1 654 . 15 1 1 A 54 54 VAL N N 54 126.109 125.777 0.332 1
1 655 . 15 1 1 A 55 55 PHE H H 55 8.325 8.668 -0.343 1
1 656 . 15 1 1 A 55 55 PHE HA H 55 5.036 4.763 0.273 1
1 664 . 15 1 1 A 55 55 PHE C C 55 174.856 175.092 -0.236 1
1 665 . 15 1 1 A 55 55 PHE CA C 55 55.758 58.257 -2.499 1
1 666 . 15 1 1 A 55 55 PHE CB C 55 40.399 38.989 1.410 1
1 667 . 15 1 1 A 55 55 PHE N N 55 124.063 127.035 -2.972 1
1 668 . 15 1 1 A 56 56 ASP H H 56 6.884 8.966 -2.082 1
1 669 . 15 1 1 A 56 56 ASP HA H 56 4.801 5.478 -0.677 1
1 672 . 15 1 1 A 56 56 ASP C C 56 173.688 174.710 -1.022 1
1 673 . 15 1 1 A 56 56 ASP CA C 56 54.956 52.509 2.447 1
1 674 . 15 1 1 A 56 56 ASP CB C 56 43.616 42.189 1.427 1
1 675 . 15 1 1 A 56 56 ASP N N 56 120.500 123.976 -3.476 1
1 676 . 15 1 1 A 57 57 SER H H 57 8.038 8.920 -0.882 1
1 677 . 15 1 1 A 57 57 SER HA H 57 4.796 4.997 -0.201 1
1 680 . 15 1 1 A 57 57 SER C C 57 174.997 174.020 0.977 1
1 681 . 15 1 1 A 57 57 SER CA C 57 55.792 57.577 -1.785 1
1 682 . 15 1 1 A 57 57 SER CB C 57 64.961 66.939 -1.978 1
1 683 . 15 1 1 A 57 57 SER N N 57 118.421 120.087 -1.666 1
1 684 . 15 1 1 A 58 58 SER H H 58 8.429 9.228 -0.799 1
1 685 . 15 1 1 A 58 58 SER HA H 58 4.080 3.972 0.108 1
1 688 . 15 1 1 A 58 58 SER C C 58 177.399 176.033 1.366 1
1 689 . 15 1 1 A 58 58 SER CA C 58 61.499 62.215 -0.716 1
1 690 . 15 1 1 A 58 58 SER CB C 58 65.069 62.910 2.159 1
1 691 . 15 1 1 A 58 58 SER N N 58 123.766 119.740 4.026 1
1 692 . 15 1 1 A 59 59 PHE H H 59 7.276 7.616 -0.340 1
1 693 . 15 1 1 A 59 59 PHE HA H 59 3.851 4.420 -0.569 1
1 701 . 15 1 1 A 59 59 PHE C C 59 178.929 177.883 1.046 1
1 702 . 15 1 1 A 59 59 PHE CA C 59 61.010 60.538 0.472 1
1 703 . 15 1 1 A 59 59 PHE CB C 59 38.129 39.274 -1.145 1
1 704 . 15 1 1 A 59 59 PHE N N 59 121.845 119.265 2.580 1
1 705 . 15 1 1 A 60 60 ASP H H 60 7.534 8.413 -0.879 1
1 706 . 15 1 1 A 60 60 ASP HA H 60 4.343 4.379 -0.036 1
1 709 . 15 1 1 A 60 60 ASP C C 60 177.295 178.507 -1.212 1
1 710 . 15 1 1 A 60 60 ASP CA C 60 56.921 57.672 -0.751 1
1 711 . 15 1 1 A 60 60 ASP CB C 60 40.298 41.884 -1.586 1
1 712 . 15 1 1 A 60 60 ASP N N 60 119.015 120.676 -1.661 1
1 713 . 15 1 1 A 61 61 ARG H H 61 7.224 8.331 -1.107 1
1 714 . 15 1 1 A 61 61 ARG HA H 61 4.378 4.140 0.238 1
1 721 . 15 1 1 A 61 61 ARG C C 61 175.798 177.132 -1.334 1
1 722 . 15 1 1 A 61 61 ARG CA C 61 55.209 57.603 -2.394 1
1 723 . 15 1 1 A 61 61 ARG CB C 61 32.610 29.476 3.134 1
1 726 . 15 1 1 A 61 61 ARG N N 61 115.452 118.199 -2.747 1
1 727 . 15 1 1 A 62 62 ASN H H 62 7.946 8.314 -0.368 1
1 728 . 15 1 1 A 62 62 ASN HA H 62 4.392 5.008 -0.616 1
1 733 . 15 1 1 A 62 62 ASN C C 62 173.776 174.628 -0.852 1
1 734 . 15 1 1 A 62 62 ASN CA C 62 54.269 54.831 -0.562 1
1 735 . 15 1 1 A 62 62 ASN CB C 62 38.597 40.912 -2.315 1
1 737 . 15 1 1 A 62 62 ASN N N 62 115.196 117.627 -2.431 1
1 739 . 15 1 1 A 63 63 VAL H H 63 7.278 8.474 -1.196 1
1 740 . 15 1 1 A 63 63 VAL HA H 63 4.628 4.561 0.067 1
1 748 . 15 1 1 A 63 63 VAL CA C 63 62.601 58.516 4.085 1
1 749 . 15 1 1 A 63 63 VAL CB C 63 35.186 34.769 0.417 1
1 752 . 15 1 1 A 63 63 VAL N N 63 115.155 117.164 -2.009 1
1 753 . 15 1 1 A 64 64 PRO HA H 64 4.516 4.748 -0.232 1
1 760 . 15 1 1 A 64 64 PRO C C 64 174.254 175.824 -1.570 1
1 761 . 15 1 1 A 64 64 PRO CA C 64 62.601 62.225 0.376 1
1 762 . 15 1 1 A 64 64 PRO CB C 64 31.977 32.306 -0.329 1
1 765 . 15 1 1 A 65 65 PHE H H 65 9.109 8.588 0.521 1
1 766 . 15 1 1 A 65 65 PHE HA H 65 4.821 5.086 -0.265 1
1 774 . 15 1 1 A 65 65 PHE C C 65 173.320 174.480 -1.160 1
1 775 . 15 1 1 A 65 65 PHE CA C 65 57.292 57.140 0.152 1
1 776 . 15 1 1 A 65 65 PHE CB C 65 42.894 42.184 0.710 1
1 777 . 15 1 1 A 65 65 PHE N N 65 123.469 123.520 -0.051 1
1 778 . 15 1 1 A 66 66 LYS H H 66 7.474 8.259 -0.785 1
1 779 . 15 1 1 A 66 66 LYS HA H 66 5.378 5.485 -0.107 1
1 788 . 15 1 1 A 66 66 LYS C C 66 175.026 174.653 0.373 1
1 789 . 15 1 1 A 66 66 LYS CA C 66 53.876 54.184 -0.308 1
1 790 . 15 1 1 A 66 66 LYS CB C 66 35.471 36.584 -1.113 1
1 794 . 15 1 1 A 66 66 LYS N N 66 125.548 122.188 3.360 1
1 795 . 15 1 1 A 67 67 PHE H H 67 8.114 8.310 -0.196 1
1 796 . 15 1 1 A 67 67 PHE HA H 67 4.469 5.082 -0.613 1
1 804 . 15 1 1 A 67 67 PHE C C 67 172.049 171.993 0.056 1
1 805 . 15 1 1 A 67 67 PHE CA C 67 55.662 55.212 0.450 1
1 806 . 15 1 1 A 67 67 PHE CB C 67 40.087 41.963 -1.876 1
1 807 . 15 1 1 A 67 67 PHE N N 67 115.419 116.746 -1.327 1
1 808 . 15 1 1 A 68 68 HIS H H 68 8.983 8.743 0.240 1
1 809 . 15 1 1 A 68 68 HIS HA H 68 5.482 5.223 0.259 1
1 812 . 15 1 1 A 68 68 HIS C C 68 174.742 174.680 0.062 1
1 813 . 15 1 1 A 68 68 HIS CA C 68 55.348 54.247 1.101 1
1 814 . 15 1 1 A 68 68 HIS CB C 68 28.470 32.767 -4.297 1
1 815 . 15 1 1 A 68 68 HIS N N 68 118.421 116.535 1.886 1
1 816 . 15 1 1 A 69 69 LEU H H 69 8.317 8.674 -0.357 1
1 817 . 15 1 1 A 69 69 LEU HA H 69 4.016 4.417 -0.401 1
1 827 . 15 1 1 A 69 69 LEU CA C 69 56.060 55.964 0.096 1
1 828 . 15 1 1 A 69 69 LEU CB C 69 42.903 42.210 0.693 1
1 832 . 15 1 1 A 69 69 LEU N N 69 126.736 124.227 2.509 1
1 833 . 15 1 1 A 70 70 GLU H H 70 9.618 9.005 0.613 1
1 834 . 15 1 1 A 70 70 GLU HA H 70 3.847 4.013 -0.166 1
1 839 . 15 1 1 A 70 70 GLU C C 70 174.818 177.210 -2.392 1
1 840 . 15 1 1 A 70 70 GLU CA C 70 58.625 57.339 1.286 1
1 841 . 15 1 1 A 70 70 GLU CB C 70 27.456 28.316 -0.860 1
1 843 . 15 1 1 A 70 70 GLU N N 70 124.954 125.873 -0.919 1
1 844 . 15 1 1 A 71 71 GLN H H 71 8.248 8.285 -0.037 1
1 845 . 15 1 1 A 71 71 GLN HA H 71 4.678 4.396 0.282 1
1 852 . 15 1 1 A 71 71 GLN CA C 71 54.218 54.797 -0.579 1
1 853 . 15 1 1 A 71 71 GLN CB C 71 30.422 28.462 1.960 1
1 856 . 15 1 1 A 71 71 GLN N N 71 114.858 119.307 -4.449 1
1 858 . 15 1 1 A 72 72 GLY H H 72 8.362 8.091 0.271 1
1 859 . 15 1 1 A 72 72 GLY HA2 H 72 4.145 4.046 0.099 1
1 860 . 15 1 1 A 72 72 GLY HA3 H 72 4.059 4.050 0.009 1
1 861 . 15 1 1 A 72 72 GLY C C 72 175.783 175.809 -0.026 1
1 862 . 15 1 1 A 72 72 GLY CA C 72 46.838 45.411 1.427 1
1 863 . 15 1 1 A 72 72 GLY N N 72 110.404 109.537 0.867 1
1 864 . 15 1 1 A 73 73 GLU H H 73 9.085 8.362 0.723 1
1 865 . 15 1 1 A 73 73 GLU HA H 73 4.187 4.355 -0.168 1
1 870 . 15 1 1 A 73 73 GLU C C 73 175.522 176.628 -1.106 1
1 871 . 15 1 1 A 73 73 GLU CA C 73 57.443 58.006 -0.563 1
1 872 . 15 1 1 A 73 73 GLU CB C 73 31.378 30.396 0.982 1
1 874 . 15 1 1 A 73 73 GLU N N 73 118.421 118.222 0.199 1
1 875 . 15 1 1 A 74 74 VAL H H 74 6.862 7.165 -0.303 1
1 876 . 15 1 1 A 74 74 VAL HA H 74 4.281 4.254 0.027 1
1 884 . 15 1 1 A 74 74 VAL C C 74 175.773 175.660 0.113 1
1 885 . 15 1 1 A 74 74 VAL CA C 74 57.468 61.065 -3.597 1
1 886 . 15 1 1 A 74 74 VAL CB C 74 36.344 32.987 3.357 1
1 889 . 15 1 1 A 74 74 VAL N N 74 108.919 116.233 -7.314 1
1 890 . 15 1 1 A 75 75 ILE H H 75 7.462 8.927 -1.465 1
1 891 . 15 1 1 A 75 75 ILE HA H 75 3.844 4.160 -0.316 1
1 901 . 15 1 1 A 75 75 ILE C C 75 177.618 177.016 0.602 1
1 902 . 15 1 1 A 75 75 ILE CA C 75 62.213 62.120 0.093 1
1 903 . 15 1 1 A 75 75 ILE CB C 75 37.337 38.088 -0.751 1
1 907 . 15 1 1 A 75 75 ILE N N 75 113.373 123.530 -10.157 1
1 908 . 15 1 1 A 76 76 LYS H H 76 9.047 8.072 0.975 1
1 909 . 15 1 1 A 76 76 LYS HA H 76 4.282 4.445 -0.163 1
1 918 . 15 1 1 A 76 76 LYS C C 76 180.009 178.275 1.734 1
1 919 . 15 1 1 A 76 76 LYS CA C 76 59.482 56.879 2.603 1
1 920 . 15 1 1 A 76 76 LYS CB C 76 32.740 34.847 -2.107 1
1 924 . 15 1 1 A 76 76 LYS N N 76 124.954 120.965 3.989 1
1 925 . 15 1 1 A 77 77 GLY H H 77 9.775 8.344 1.431 1
1 926 . 15 1 1 A 77 77 GLY HA2 H 77 3.786 3.394 0.392 1
1 927 . 15 1 1 A 77 77 GLY HA3 H 77 3.618 3.497 0.121 1
1 928 . 15 1 1 A 77 77 GLY C C 77 175.261 176.414 -1.153 1
1 929 . 15 1 1 A 77 77 GLY CA C 77 47.402 47.194 0.208 1
1 930 . 15 1 1 A 77 77 GLY N N 77 101.199 108.196 -6.997 1
1 931 . 15 1 1 A 78 78 TRP H H 78 7.817 8.079 -0.262 1
1 932 . 15 1 1 A 78 78 TRP HA H 78 4.017 4.808 -0.791 1
1 940 . 15 1 1 A 78 78 TRP C C 78 177.610 178.003 -0.393 1
1 941 . 15 1 1 A 78 78 TRP CA C 78 61.524 60.324 1.200 1
1 942 . 15 1 1 A 78 78 TRP CB C 78 28.655 29.238 -0.583 1
1 943 . 15 1 1 A 78 78 TRP N N 78 120.203 122.396 -2.193 1
1 944 . 15 1 1 A 79 79 ASP H H 79 6.967 8.330 -1.363 1
1 945 . 15 1 1 A 79 79 ASP HA H 79 4.738 4.431 0.307 1
1 948 . 15 1 1 A 79 79 ASP C C 79 179.125 178.868 0.257 1
1 949 . 15 1 1 A 79 79 ASP CA C 79 58.492 57.610 0.882 1
1 950 . 15 1 1 A 79 79 ASP CB C 79 41.181 41.813 -0.632 1
1 951 . 15 1 1 A 79 79 ASP N N 79 121.688 120.261 1.427 1
1 952 . 15 1 1 A 80 80 ILE H H 80 8.173 7.503 0.670 1
1 953 . 15 1 1 A 80 80 ILE HA H 80 3.617 4.219 -0.602 1
1 963 . 15 1 1 A 80 80 ILE C C 80 177.849 178.254 -0.405 1
1 964 . 15 1 1 A 80 80 ILE CA C 80 64.758 64.132 0.626 1
1 965 . 15 1 1 A 80 80 ILE CB C 80 39.198 36.930 2.268 1
1 969 . 15 1 1 A 80 80 ILE N N 80 118.125 118.925 -0.800 1
1 970 . 15 1 1 A 81 81 CYS H H 81 7.961 7.894 0.067 1
1 971 . 15 1 1 A 81 81 CYS HA H 81 4.456 4.166 0.290 1
1 974 . 15 1 1 A 81 81 CYS C C 81 178.812 176.831 1.981 1
1 975 . 15 1 1 A 81 81 CYS CA C 81 63.059 62.248 0.811 1
1 976 . 15 1 1 A 81 81 CYS CB C 81 27.732 26.951 0.781 1
1 977 . 15 1 1 A 81 81 CYS N N 81 116.937 121.197 -4.260 1
1 978 . 15 1 1 A 82 82 VAL H H 82 9.434 7.961 1.473 1
1 979 . 15 1 1 A 82 82 VAL HA H 82 3.476 3.818 -0.342 1
1 987 . 15 1 1 A 82 82 VAL C C 82 176.456 177.588 -1.132 1
1 988 . 15 1 1 A 82 82 VAL CA C 82 66.977 64.965 2.012 1
1 989 . 15 1 1 A 82 82 VAL CB C 82 30.171 31.686 -1.515 1
1 992 . 15 1 1 A 82 82 VAL N N 82 121.688 118.730 2.958 1
1 993 . 15 1 1 A 83 83 SER H H 83 7.541 8.457 -0.916 1
1 994 . 15 1 1 A 83 83 SER HA H 83 3.964 4.466 -0.502 1
1 997 . 15 1 1 A 83 83 SER C C 83 173.661 174.901 -1.240 1
1 998 . 15 1 1 A 83 83 SER CA C 83 61.551 61.269 0.282 1
1 999 . 15 1 1 A 83 83 SER CB C 83 63.239 63.114 0.125 1
1 1000 . 15 1 1 A 83 83 SER N N 83 111.889 115.877 -3.988 1
1 1001 . 15 1 1 A 84 84 SER H H 84 7.471 7.662 -0.191 1
1 1002 . 15 1 1 A 84 84 SER HA H 84 4.530 4.703 -0.173 1
1 1005 . 15 1 1 A 84 84 SER C C 84 174.314 173.085 1.229 1
1 1006 . 15 1 1 A 84 84 SER CA C 84 58.440 56.968 1.472 1
1 1007 . 15 1 1 A 84 84 SER CB C 84 65.929 64.060 1.869 1
1 1008 . 15 1 1 A 84 84 SER N N 84 114.264 116.320 -2.056 1
1 1009 . 15 1 1 A 85 85 MET H H 85 7.441 7.327 0.114 1
1 1010 . 15 1 1 A 85 85 MET HA H 85 4.262 5.552 -1.290 1
1 1015 . 15 1 1 A 85 85 MET C C 85 172.768 174.422 -1.654 1
1 1016 . 15 1 1 A 85 85 MET CA C 85 56.502 53.023 3.479 1
1 1017 . 15 1 1 A 85 85 MET CB C 85 36.378 36.643 -0.265 1
1 1019 . 15 1 1 A 85 85 MET N N 85 124.657 118.395 6.262 1
1 1020 . 15 1 1 A 86 86 ARG H H 86 7.045 8.435 -1.390 1
1 1021 . 15 1 1 A 86 86 ARG HA H 86 4.879 4.696 0.183 1
1 1028 . 15 1 1 A 86 86 ARG C C 86 177.468 176.217 1.251 1
1 1029 . 15 1 1 A 86 86 ARG CA C 86 53.395 53.822 -0.427 1
1 1030 . 15 1 1 A 86 86 ARG CB C 86 33.244 34.068 -0.824 1
1 1033 . 15 1 1 A 86 86 ARG N N 86 114.264 118.342 -4.078 1
1 1034 . 15 1 1 A 87 87 LYS H H 87 8.818 8.603 0.215 1
1 1035 . 15 1 1 A 87 87 LYS HA H 87 3.554 3.689 -0.135 1
1 1044 . 15 1 1 A 87 87 LYS C C 87 175.382 177.394 -2.012 1
1 1045 . 15 1 1 A 87 87 LYS CA C 87 60.175 59.086 1.089 1
1 1046 . 15 1 1 A 87 87 LYS CB C 87 33.195 32.009 1.186 1
1 1050 . 15 1 1 A 87 87 LYS N N 87 121.391 122.938 -1.547 1
1 1051 . 15 1 1 A 88 88 ASN H H 88 8.943 7.538 1.405 1
1 1052 . 15 1 1 A 88 88 ASN HA H 88 4.291 4.832 -0.541 1
1 1057 . 15 1 1 A 88 88 ASN C C 88 174.124 174.038 0.086 1
1 1058 . 15 1 1 A 88 88 ASN CA C 88 56.703 52.897 3.806 1
1 1059 . 15 1 1 A 88 88 ASN CB C 88 36.677 39.093 -2.416 1
1 1060 . 15 1 1 A 88 88 ASN N N 88 116.640 114.624 2.016 1
1 1062 . 15 1 1 A 89 89 GLU H H 89 8.677 7.532 1.145 1
1 1063 . 15 1 1 A 89 89 GLU HA H 89 4.358 5.003 -0.645 1
1 1068 . 15 1 1 A 89 89 GLU C C 89 174.903 174.610 0.293 1
1 1069 . 15 1 1 A 89 89 GLU CA C 89 56.190 54.582 1.608 1
1 1070 . 15 1 1 A 89 89 GLU CB C 89 33.096 33.266 -0.170 1
1 1072 . 15 1 1 A 89 89 GLU N N 89 122.876 120.775 2.101 1
1 1073 . 15 1 1 A 90 90 LYS H H 90 8.580 8.635 -0.055 1
1 1074 . 15 1 1 A 90 90 LYS HA H 90 5.542 4.883 0.659 1
1 1083 . 15 1 1 A 90 90 LYS C C 90 175.593 174.712 0.881 1
1 1084 . 15 1 1 A 90 90 LYS CA C 90 54.210 55.976 -1.766 1
1 1085 . 15 1 1 A 90 90 LYS CB C 90 36.189 35.986 0.203 1
1 1089 . 15 1 1 A 90 90 LYS N N 90 123.469 123.693 -0.224 1
1 1090 . 15 1 1 A 91 91 CYS H H 91 9.673 8.936 0.737 1
1 1091 . 15 1 1 A 91 91 CYS HA H 91 5.524 5.409 0.115 1
1 1094 . 15 1 1 A 91 91 CYS C C 91 170.527 173.374 -2.847 1
1 1095 . 15 1 1 A 91 91 CYS CA C 91 54.690 56.812 -2.122 1
1 1096 . 15 1 1 A 91 91 CYS CB C 91 32.542 31.408 1.134 1
1 1097 . 15 1 1 A 91 91 CYS N N 91 122.579 124.684 -2.105 1
1 1098 . 15 1 1 A 92 92 LEU H H 92 8.984 8.938 0.046 1
1 1099 . 15 1 1 A 92 92 LEU HA H 92 5.458 5.037 0.421 1
1 1109 . 15 1 1 A 92 92 LEU C C 92 175.596 175.685 -0.089 1
1 1110 . 15 1 1 A 92 92 LEU CA C 92 53.413 53.615 -0.202 1
1 1111 . 15 1 1 A 92 92 LEU CB C 92 44.972 42.433 2.539 1
1 1115 . 15 1 1 A 92 92 LEU N N 92 122.282 123.929 -1.647 1
1 1116 . 15 1 1 A 93 93 VAL H H 93 10.107 8.830 1.277 1
1 1117 . 15 1 1 A 93 93 VAL HA H 93 5.506 4.748 0.758 1
1 1125 . 15 1 1 A 93 93 VAL C C 93 171.051 173.896 -2.845 1
1 1126 . 15 1 1 A 93 93 VAL CA C 93 58.200 60.033 -1.833 1
1 1127 . 15 1 1 A 93 93 VAL CB C 93 35.276 34.092 1.184 1
1 1130 . 15 1 1 A 93 93 VAL N N 93 126.224 125.770 0.454 1
1 1131 . 15 1 1 A 94 94 ARG H H 94 8.949 9.096 -0.147 1
1 1132 . 15 1 1 A 94 94 ARG HA H 94 5.133 4.683 0.450 1
1 1139 . 15 1 1 A 94 94 ARG C C 94 175.823 175.070 0.753 1
1 1140 . 15 1 1 A 94 94 ARG CA C 94 56.219 54.999 1.220 1
1 1141 . 15 1 1 A 94 94 ARG CB C 94 32.039 31.134 0.905 1
1 1144 . 15 1 1 A 94 94 ARG N N 94 130.596 127.302 3.294 1
1 1145 . 15 1 1 A 95 95 ILE H H 95 9.655 8.547 1.108 1
1 1146 . 15 1 1 A 95 95 ILE HA H 95 4.899 4.506 0.393 1
1 1156 . 15 1 1 A 95 95 ILE C C 95 175.215 175.416 -0.201 1
1 1157 . 15 1 1 A 95 95 ILE CA C 95 60.582 60.529 0.053 1
1 1158 . 15 1 1 A 95 95 ILE CB C 95 37.359 37.520 -0.161 1
1 1162 . 15 1 1 A 95 95 ILE N N 95 129.905 126.267 3.638 1
1 1163 . 15 1 1 A 96 96 GLU H H 96 9.213 8.761 0.452 1
1 1164 . 15 1 1 A 96 96 GLU HA H 96 4.320 4.185 0.135 1
1 1169 . 15 1 1 A 96 96 GLU C C 96 177.897 177.558 0.339 1
1 1170 . 15 1 1 A 96 96 GLU CA C 96 57.568 56.454 1.114 1
1 1171 . 15 1 1 A 96 96 GLU CB C 96 29.676 31.187 -1.511 1
1 1173 . 15 1 1 A 96 96 GLU N N 96 126.439 128.361 -1.922 1
1 1174 . 15 1 1 A 97 97 SER H H 97 8.693 8.819 -0.126 1
1 1175 . 15 1 1 A 97 97 SER HA H 97 4.370 4.116 0.254 1
1 1178 . 15 1 1 A 97 97 SER C C 97 178.668 175.512 3.156 1
1 1179 . 15 1 1 A 97 97 SER CA C 97 62.800 61.743 1.057 1
1 1180 . 15 1 1 A 97 97 SER CB C 97 64.591 62.622 1.969 1
1 1181 . 15 1 1 A 97 97 SER N N 97 115.749 120.536 -4.787 1
1 1182 . 15 1 1 A 98 98 MET H H 98 8.937 8.275 0.662 1
1 1183 . 15 1 1 A 98 98 MET HA H 98 4.170 4.251 -0.081 1
1 1188 . 15 1 1 A 98 98 MET C C 98 179.250 176.254 2.996 1
1 1189 . 15 1 1 A 98 98 MET CA C 98 58.702 57.006 1.696 1
1 1190 . 15 1 1 A 98 98 MET CB C 98 31.047 31.880 -0.833 1
1 1192 . 15 1 1 A 98 98 MET N N 98 121.985 118.517 3.468 1
1 1193 . 15 1 1 A 99 99 TYR H H 99 7.927 7.929 -0.002 1
1 1194 . 15 1 1 A 99 99 TYR HA H 99 4.435 4.640 -0.205 1
1 1201 . 15 1 1 A 99 99 TYR C C 99 173.125 175.674 -2.549 1
1 1202 . 15 1 1 A 99 99 TYR CA C 99 58.064 58.218 -0.154 1
1 1203 . 15 1 1 A 99 99 TYR CB C 99 39.570 38.985 0.585 1
1 1204 . 15 1 1 A 99 99 TYR N N 99 116.640 118.151 -1.511 1
1 1205 . 15 1 1 A 100 100 GLY H H 100 7.802 7.734 0.068 1
1 1206 . 15 1 1 A 100 100 GLY HA2 H 100 3.223 4.203 -0.980 1
1 1207 . 15 1 1 A 100 100 GLY HA3 H 100 4.309 4.223 0.086 1
1 1208 . 15 1 1 A 100 100 GLY C C 100 173.213 174.577 -1.364 1
1 1209 . 15 1 1 A 100 100 GLY CA C 100 45.062 44.702 0.360 1
1 1210 . 15 1 1 A 100 100 GLY N N 100 110.998 107.483 3.515 1
1 1211 . 15 1 1 A 101 101 TYR H H 101 9.407 8.950 0.457 1
1 1212 . 15 1 1 A 101 101 TYR HA H 101 4.443 4.380 0.063 1
1 1219 . 15 1 1 A 101 101 TYR C C 101 176.014 176.067 -0.053 1
1 1220 . 15 1 1 A 101 101 TYR CA C 101 58.944 60.822 -1.878 1
1 1221 . 15 1 1 A 101 101 TYR CB C 101 37.732 39.003 -1.271 1
1 1222 . 15 1 1 A 101 101 TYR N N 101 126.439 118.458 7.981 1
1 1223 . 15 1 1 A 102 102 GLY H H 102 8.231 7.800 0.431 1
1 1224 . 15 1 1 A 102 102 GLY HA2 H 102 4.001 4.183 -0.182 1
1 1225 . 15 1 1 A 102 102 GLY HA3 H 102 3.715 4.184 -0.469 1
1 1226 . 15 1 1 A 102 102 GLY C C 102 175.685 174.237 1.448 1
1 1227 . 15 1 1 A 102 102 GLY CA C 102 46.447 44.044 2.403 1
1 1228 . 15 1 1 A 102 102 GLY N N 102 107.138 104.675 2.463 1
1 1229 . 15 1 1 A 103 103 ASP H H 103 8.983 9.358 -0.375 1
1 1230 . 15 1 1 A 103 103 ASP HA H 103 4.277 4.583 -0.306 1
1 1233 . 15 1 1 A 103 103 ASP C C 103 176.677 177.400 -0.723 1
1 1234 . 15 1 1 A 103 103 ASP CA C 103 56.352 55.887 0.465 1
1 1235 . 15 1 1 A 103 103 ASP CB C 103 40.640 41.305 -0.665 1
1 1236 . 15 1 1 A 103 103 ASP N N 103 124.954 122.668 2.286 1
1 1237 . 15 1 1 A 104 104 GLU H H 104 8.552 8.165 0.387 1
1 1238 . 15 1 1 A 104 104 GLU HA H 104 4.139 4.318 -0.179 1
1 1243 . 15 1 1 A 104 104 GLU C C 104 179.142 177.335 1.807 1
1 1244 . 15 1 1 A 104 104 GLU CA C 104 58.100 56.147 1.953 1
1 1245 . 15 1 1 A 104 104 GLU CB C 104 30.076 29.982 0.094 1
1 1247 . 15 1 1 A 104 104 GLU N N 104 117.531 119.410 -1.879 1
1 1248 . 15 1 1 A 105 105 GLY H H 105 7.188 7.985 -0.797 1
1 1249 . 15 1 1 A 105 105 GLY HA2 H 105 3.137 4.063 -0.926 1
1 1250 . 15 1 1 A 105 105 GLY HA3 H 105 4.012 4.095 -0.083 1
1 1251 . 15 1 1 A 105 105 GLY C C 105 171.730 173.247 -1.517 1
1 1252 . 15 1 1 A 105 105 GLY CA C 105 44.214 44.562 -0.348 1
1 1253 . 15 1 1 A 105 105 GLY N N 105 104.168 108.789 -4.621 1
1 1254 . 15 1 1 A 106 106 CYS H H 106 9.026 8.210 0.816 1
1 1255 . 15 1 1 A 106 106 CYS HA H 106 4.253 5.143 -0.890 1
1 1258 . 15 1 1 A 106 106 CYS C C 106 173.438 174.484 -1.046 1
1 1259 . 15 1 1 A 106 106 CYS CA C 106 57.814 57.720 0.094 1
1 1260 . 15 1 1 A 106 106 CYS CB C 106 26.162 28.716 -2.554 1
1 1261 . 15 1 1 A 106 106 CYS N N 106 121.949 121.215 0.734 1
1 1262 . 15 1 1 A 107 107 GLY H H 107 8.584 8.524 0.060 1
1 1263 . 15 1 1 A 107 107 GLY HA2 H 107 3.706 4.320 -0.614 1
1 1264 . 15 1 1 A 107 107 GLY HA3 H 107 3.954 4.332 -0.378 1
1 1265 . 15 1 1 A 107 107 GLY C C 107 173.461 174.189 -0.728 1
1 1266 . 15 1 1 A 107 107 GLY CA C 107 45.258 44.956 0.302 1
1 1267 . 15 1 1 A 107 107 GLY N N 107 114.561 112.716 1.845 1
1 1268 . 15 1 1 A 108 108 GLU H H 108 8.503 8.748 -0.245 1
1 1269 . 15 1 1 A 108 108 GLU HA H 108 4.051 4.458 -0.407 1
1 1274 . 15 1 1 A 108 108 GLU C C 108 178.118 178.525 -0.407 1
1 1275 . 15 1 1 A 108 108 GLU CA C 108 57.478 58.958 -1.480 1
1 1276 . 15 1 1 A 108 108 GLU CB C 108 29.835 30.558 -0.723 1
1 1278 . 15 1 1 A 108 108 GLU N N 108 119.609 125.056 -5.447 1
1 1279 . 15 1 1 A 109 109 SER H H 109 8.082 7.968 0.114 1
1 1280 . 15 1 1 A 109 109 SER HA H 109 4.127 4.426 -0.299 1
1 1283 . 15 1 1 A 109 109 SER C C 109 173.569 175.078 -1.509 1
1 1284 . 15 1 1 A 109 109 SER CA C 109 60.141 61.027 -0.886 1
1 1285 . 15 1 1 A 109 109 SER CB C 109 63.935 63.337 0.598 1
1 1286 . 15 1 1 A 109 109 SER N N 109 112.186 114.659 -2.473 1
1 1287 . 15 1 1 A 110 110 ILE H H 110 6.570 7.837 -1.267 1
1 1288 . 15 1 1 A 110 110 ILE HA H 110 4.235 4.533 -0.298 1
1 1298 . 15 1 1 A 110 110 ILE CA C 110 58.031 58.036 -0.005 1
1 1299 . 15 1 1 A 110 110 ILE CB C 110 39.086 37.980 1.106 1
1 1303 . 15 1 1 A 110 110 ILE N N 110 116.937 115.258 1.679 1
1 1304 . 15 1 1 A 111 111 PRO HA H 111 4.510 4.837 -0.327 1
1 1311 . 15 1 1 A 111 111 PRO C C 111 179.076 177.298 1.778 1
1 1312 . 15 1 1 A 111 111 PRO CA C 111 61.703 62.794 -1.091 1
1 1313 . 15 1 1 A 111 111 PRO CB C 111 32.729 32.767 -0.038 1
1 1316 . 15 1 1 A 112 112 GLY H H 112 9.018 8.814 0.204 1
1 1317 . 15 1 1 A 112 112 GLY HA2 H 112 3.461 4.005 -0.544 1
1 1318 . 15 1 1 A 112 112 GLY HA3 H 112 3.714 4.008 -0.294 1
1 1319 . 15 1 1 A 112 112 GLY C C 112 172.723 174.940 -2.217 1
1 1320 . 15 1 1 A 112 112 GLY CA C 112 46.262 45.231 1.031 1
1 1321 . 15 1 1 A 112 112 GLY N N 112 111.592 110.706 0.886 1
1 1322 . 15 1 1 A 113 113 ASN H H 113 8.381 8.545 -0.164 1
1 1323 . 15 1 1 A 113 113 ASN HA H 113 4.278 4.380 -0.102 1
1 1328 . 15 1 1 A 113 113 ASN C C 113 174.643 173.725 0.918 1
1 1329 . 15 1 1 A 113 113 ASN CA C 113 54.388 54.300 0.088 1
1 1330 . 15 1 1 A 113 113 ASN CB C 113 37.204 37.034 0.170 1
1 1331 . 15 1 1 A 113 113 ASN N N 113 116.937 111.770 5.167 1
1 1333 . 15 1 1 A 114 114 SER H H 114 7.617 7.722 -0.105 1
1 1334 . 15 1 1 A 114 114 SER HA H 114 4.517 4.943 -0.426 1
1 1337 . 15 1 1 A 114 114 SER C C 114 172.904 173.064 -0.160 1
1 1338 . 15 1 1 A 114 114 SER CA C 114 59.864 56.166 3.698 1
1 1339 . 15 1 1 A 114 114 SER CB C 114 64.678 66.047 -1.369 1
1 1340 . 15 1 1 A 114 114 SER N N 114 113.077 110.569 2.508 1
1 1341 . 15 1 1 A 115 115 VAL H H 115 8.500 8.436 0.064 1
1 1342 . 15 1 1 A 115 115 VAL HA H 115 4.341 5.257 -0.916 1
1 1350 . 15 1 1 A 115 115 VAL C C 115 176.075 173.907 2.168 1
1 1351 . 15 1 1 A 115 115 VAL CA C 115 62.705 60.600 2.105 1
1 1352 . 15 1 1 A 115 115 VAL CB C 115 31.546 33.470 -1.924 1
1 1355 . 15 1 1 A 115 115 VAL N N 115 124.360 121.498 2.862 1
1 1356 . 15 1 1 A 116 116 LEU H H 116 9.104 8.610 0.494 1
1 1357 . 15 1 1 A 116 116 LEU HA H 116 5.002 4.931 0.071 1
1 1367 . 15 1 1 A 116 116 LEU C C 116 174.923 175.803 -0.880 1
1 1368 . 15 1 1 A 116 116 LEU CA C 116 53.123 53.228 -0.105 1
1 1369 . 15 1 1 A 116 116 LEU CB C 116 45.379 45.133 0.246 1
1 1373 . 15 1 1 A 116 116 LEU N N 116 128.814 129.951 -1.137 1
1 1374 . 15 1 1 A 117 117 LEU H H 117 9.009 8.277 0.732 1
1 1375 . 15 1 1 A 117 117 LEU HA H 117 5.601 4.899 0.702 1
1 1385 . 15 1 1 A 117 117 LEU C C 117 176.574 175.196 1.378 1
1 1386 . 15 1 1 A 117 117 LEU CA C 117 52.750 52.392 0.358 1
1 1387 . 15 1 1 A 117 117 LEU CB C 117 44.693 43.466 1.227 1
1 1391 . 15 1 1 A 117 117 LEU N N 117 121.391 121.121 0.270 1
1 1392 . 15 1 1 A 118 118 PHE H H 118 9.375 8.609 0.766 1
1 1393 . 15 1 1 A 118 118 PHE HA H 118 6.155 5.024 1.131 1
1 1401 . 15 1 1 A 118 118 PHE C C 118 176.518 175.739 0.779 1
1 1402 . 15 1 1 A 118 118 PHE CA C 118 55.411 56.080 -0.669 1
1 1403 . 15 1 1 A 118 118 PHE CB C 118 42.385 42.756 -0.371 1
1 1404 . 15 1 1 A 118 118 PHE N N 118 117.531 122.378 -4.847 1
1 1405 . 15 1 1 A 119 119 GLU H H 119 8.905 9.919 -1.014 1
1 1406 . 15 1 1 A 119 119 GLU HA H 119 5.604 4.818 0.786 1
1 1411 . 15 1 1 A 119 119 GLU C C 119 175.947 175.996 -0.049 1
1 1412 . 15 1 1 A 119 119 GLU CA C 119 60.489 56.910 3.579 1
1 1413 . 15 1 1 A 119 119 GLU CB C 119 31.189 30.561 0.628 1
1 1415 . 15 1 1 A 119 119 GLU N N 119 122.876 122.419 0.457 1
1 1416 . 15 1 1 A 120 120 ILE H H 120 8.912 8.620 0.292 1
1 1417 . 15 1 1 A 120 120 ILE HA H 120 4.965 5.060 -0.095 1
1 1427 . 15 1 1 A 120 120 ILE C C 120 173.341 174.083 -0.742 1
1 1428 . 15 1 1 A 120 120 ILE CA C 120 60.568 60.533 0.035 1
1 1429 . 15 1 1 A 120 120 ILE CB C 120 41.927 39.902 2.025 1
1 1433 . 15 1 1 A 120 120 ILE N N 120 123.000 124.811 -1.811 1
1 1434 . 15 1 1 A 121 121 GLU H H 121 9.074 8.797 0.277 1
1 1435 . 15 1 1 A 121 121 GLU HA H 121 5.445 5.116 0.329 1
1 1440 . 15 1 1 A 121 121 GLU C C 121 175.254 174.791 0.463 1
1 1441 . 15 1 1 A 121 121 GLU CA C 121 53.941 54.391 -0.450 1
1 1442 . 15 1 1 A 121 121 GLU CB C 121 33.897 33.033 0.864 1
1 1444 . 15 1 1 A 121 121 GLU N N 121 128.221 129.236 -1.015 1
1 1445 . 15 1 1 A 122 122 LEU H H 122 8.112 8.495 -0.383 1
1 1446 . 15 1 1 A 122 122 LEU HA H 122 4.680 4.450 0.230 1
1 1456 . 15 1 1 A 122 122 LEU C C 122 174.472 176.989 -2.517 1
1 1457 . 15 1 1 A 122 122 LEU CA C 122 54.403 54.171 0.232 1
1 1458 . 15 1 1 A 122 122 LEU CB C 122 40.796 41.799 -1.003 1
1 1462 . 15 1 1 A 122 122 LEU N N 122 127.033 128.221 -1.188 1
1 1463 . 15 1 1 A 123 123 LEU H H 123 8.704 8.272 0.432 1
1 1464 . 15 1 1 A 123 123 LEU HA H 123 4.385 4.394 -0.009 1
1 1474 . 15 1 1 A 123 123 LEU C C 123 177.614 176.778 0.836 1
1 1475 . 15 1 1 A 123 123 LEU CA C 123 57.095 55.269 1.826 1
1 1476 . 15 1 1 A 123 123 LEU CB C 123 42.226 42.349 -0.123 1
1 1480 . 15 1 1 A 123 123 LEU N N 123 128.814 123.376 5.438 1
1 1481 . 15 1 1 A 124 124 SER H H 124 7.602 7.088 0.514 1
1 1482 . 15 1 1 A 124 124 SER HA H 124 4.161 4.860 -0.699 1
1 1485 . 15 1 1 A 124 124 SER C C 124 171.375 172.438 -1.063 1
1 1486 . 15 1 1 A 124 124 SER CA C 124 57.545 57.353 0.192 1
1 1487 . 15 1 1 A 124 124 SER CB C 124 63.359 65.209 -1.850 1
1 1488 . 15 1 1 A 124 124 SER N N 124 105.653 113.049 -7.396 1
1 1489 . 15 1 1 A 125 125 PHE H H 125 7.818 9.090 -1.272 1
1 1490 . 15 1 1 A 125 125 PHE HA H 125 5.451 5.365 0.086 1
1 1498 . 15 1 1 A 125 125 PHE C C 125 173.154 173.114 0.040 1
1 1499 . 15 1 1 A 125 125 PHE CA C 125 56.463 56.191 0.272 1
1 1500 . 15 1 1 A 125 125 PHE CB C 125 42.301 41.125 1.176 1
1 1501 . 15 1 1 A 125 125 PHE N N 125 113.373 119.745 -6.372 1
1 1502 . 15 1 1 A 126 126 ARG H H 126 8.934 8.313 0.621 1
1 1503 . 15 1 1 A 126 126 ARG HA H 126 4.693 4.713 -0.020 1
1 1510 . 15 1 1 A 126 126 ARG C C 126 174.013 173.965 0.048 1
1 1511 . 15 1 1 A 126 126 ARG CA C 126 54.654 54.291 0.363 1
1 1512 . 15 1 1 A 126 126 ARG CB C 126 33.064 33.621 -0.557 1
1 1515 . 15 1 1 A 126 126 ARG N N 126 116.046 118.275 -2.229 1
1 1516 . 15 1 1 A 127 127 GLU H H 127 8.665 8.441 0.224 1
1 1517 . 15 1 1 A 127 127 GLU HA H 127 4.436 4.468 -0.032 1
1 1522 . 15 1 1 A 127 127 GLU C C 127 176.050 176.023 0.027 1
1 1523 . 15 1 1 A 127 127 GLU CA C 127 55.552 55.459 0.093 1
1 1524 . 15 1 1 A 127 127 GLU CB C 127 30.600 31.039 -0.439 1
1 1 . 16 1 1 A 2 2 THR HA H 2 4.479 5.135 -0.656 1
1 6 . 16 1 1 A 2 2 THR C C 2 174.348 175.253 -0.905 1
1 7 . 16 1 1 A 2 2 THR CA C 2 61.838 60.454 1.384 1
1 8 . 16 1 1 A 2 2 THR CB C 2 69.919 70.738 -0.819 1
1 10 . 16 1 1 A 3 3 THR H H 3 8.289 8.916 -0.627 1
1 11 . 16 1 1 A 3 3 THR HA H 3 4.282 4.139 0.143 1
1 16 . 16 1 1 A 3 3 THR C C 3 174.404 175.364 -0.960 1
1 17 . 16 1 1 A 3 3 THR CA C 3 62.140 64.476 -2.336 1
1 18 . 16 1 1 A 3 3 THR CB C 3 69.658 69.094 0.564 1
1 20 . 16 1 1 A 3 3 THR N N 3 116.640 119.236 -2.596 1
1 21 . 16 1 1 A 4 4 GLU H H 4 8.567 7.785 0.782 1
1 22 . 16 1 1 A 4 4 GLU HA H 4 4.156 4.755 -0.599 1
1 27 . 16 1 1 A 4 4 GLU C C 4 176.216 174.815 1.401 1
1 28 . 16 1 1 A 4 4 GLU CA C 4 56.929 54.796 2.133 1
1 29 . 16 1 1 A 4 4 GLU CB C 4 29.821 34.508 -4.687 1
1 31 . 16 1 1 A 4 4 GLU N N 4 123.469 119.020 4.449 1
1 32 . 16 1 1 A 5 5 GLN H H 5 8.222 8.356 -0.134 1
1 33 . 16 1 1 A 5 5 GLN HA H 5 4.167 4.259 -0.092 1
1 40 . 16 1 1 A 5 5 GLN C C 5 175.216 177.030 -1.814 1
1 41 . 16 1 1 A 5 5 GLN CA C 5 55.674 54.821 0.853 1
1 42 . 16 1 1 A 5 5 GLN CB C 5 29.553 29.483 0.070 1
1 45 . 16 1 1 A 5 5 GLN N N 5 120.797 121.534 -0.737 1
1 47 . 16 1 1 A 6 6 GLU H H 6 8.171 8.558 -0.387 1
1 48 . 16 1 1 A 6 6 GLU HA H 6 4.080 4.171 -0.091 1
1 53 . 16 1 1 A 6 6 GLU C C 6 175.870 176.660 -0.790 1
1 54 . 16 1 1 A 6 6 GLU CA C 6 56.400 56.102 0.298 1
1 55 . 16 1 1 A 6 6 GLU CB C 6 30.335 28.897 1.438 1
1 57 . 16 1 1 A 6 6 GLU N N 6 122.100 120.580 1.520 1
1 58 . 16 1 1 A 7 7 PHE H H 7 8.051 6.674 1.377 1
1 59 . 16 1 1 A 7 7 PHE HA H 7 4.710 4.478 0.232 1
1 67 . 16 1 1 A 7 7 PHE C C 7 175.461 174.931 0.530 1
1 68 . 16 1 1 A 7 7 PHE CA C 7 56.825 57.884 -1.059 1
1 69 . 16 1 1 A 7 7 PHE CB C 7 39.812 39.203 0.609 1
1 70 . 16 1 1 A 7 7 PHE N N 7 120.500 119.762 0.738 1
1 71 . 16 1 1 A 8 8 GLU H H 8 8.626 8.970 -0.344 1
1 72 . 16 1 1 A 8 8 GLU HA H 8 4.193 4.604 -0.411 1
1 77 . 16 1 1 A 8 8 GLU C C 8 176.141 176.315 -0.174 1
1 78 . 16 1 1 A 8 8 GLU CA C 8 56.932 56.177 0.755 1
1 79 . 16 1 1 A 8 8 GLU CB C 8 30.794 30.829 -0.035 1
1 81 . 16 1 1 A 8 8 GLU N N 8 123.469 123.758 -0.289 1
1 82 . 16 1 1 A 9 9 LYS H H 9 8.396 8.599 -0.203 1
1 83 . 16 1 1 A 9 9 LYS HA H 9 5.100 4.838 0.262 1
1 92 . 16 1 1 A 9 9 LYS C C 9 176.168 175.486 0.682 1
1 93 . 16 1 1 A 9 9 LYS CA C 9 55.428 55.094 0.334 1
1 94 . 16 1 1 A 9 9 LYS CB C 9 34.214 34.644 -0.430 1
1 98 . 16 1 1 A 9 9 LYS N N 9 124.954 124.991 -0.037 1
1 99 . 16 1 1 A 10 10 VAL H H 10 9.445 8.454 0.991 1
1 100 . 16 1 1 A 10 10 VAL HA H 10 4.278 4.527 -0.249 1
1 108 . 16 1 1 A 10 10 VAL C C 10 174.967 175.356 -0.389 1
1 109 . 16 1 1 A 10 10 VAL CA C 10 60.951 61.587 -0.636 1
1 110 . 16 1 1 A 10 10 VAL CB C 10 34.681 32.541 2.140 1
1 113 . 16 1 1 A 10 10 VAL N N 10 124.360 123.007 1.353 1
1 114 . 16 1 1 A 11 11 GLU H H 11 9.021 8.751 0.270 1
1 115 . 16 1 1 A 11 11 GLU HA H 11 4.369 4.441 -0.072 1
1 120 . 16 1 1 A 11 11 GLU C C 11 174.797 176.083 -1.286 1
1 121 . 16 1 1 A 11 11 GLU CA C 11 56.728 56.232 0.496 1
1 122 . 16 1 1 A 11 11 GLU CB C 11 28.655 30.532 -1.877 1
1 124 . 16 1 1 A 11 11 GLU N N 11 127.924 128.232 -0.308 1
1 125 . 16 1 1 A 12 12 LEU H H 12 8.396 8.753 -0.357 1
1 126 . 16 1 1 A 12 12 LEU HA H 12 4.311 3.787 0.524 1
1 136 . 16 1 1 A 12 12 LEU C C 12 176.600 175.593 1.007 1
1 137 . 16 1 1 A 12 12 LEU CA C 12 55.292 55.962 -0.670 1
1 138 . 16 1 1 A 12 12 LEU CB C 12 42.624 40.666 1.958 1
1 142 . 16 1 1 A 12 12 LEU N N 12 124.954 119.673 5.281 1
1 143 . 16 1 1 A 13 13 THR H H 13 7.328 7.820 -0.492 1
1 144 . 16 1 1 A 13 13 THR HA H 13 4.530 4.295 0.235 1
1 149 . 16 1 1 A 13 13 THR C C 13 175.180 175.925 -0.745 1
1 150 . 16 1 1 A 13 13 THR CA C 13 59.603 62.460 -2.857 1
1 151 . 16 1 1 A 13 13 THR CB C 13 70.742 69.289 1.453 1
1 153 . 16 1 1 A 13 13 THR N N 13 106.841 112.647 -5.806 1
1 154 . 16 1 1 A 14 14 ALA H H 14 8.689 8.905 -0.216 1
1 155 . 16 1 1 A 14 14 ALA HA H 14 4.247 4.032 0.215 1
1 159 . 16 1 1 A 14 14 ALA C C 14 177.522 177.872 -0.350 1
1 160 . 16 1 1 A 14 14 ALA CA C 14 53.875 54.381 -0.506 1
1 161 . 16 1 1 A 14 14 ALA CB C 14 17.920 18.503 -0.583 1
1 162 . 16 1 1 A 14 14 ALA N N 14 123.733 129.435 -5.702 1
1 163 . 16 1 1 A 15 15 ASP H H 15 7.516 7.897 -0.381 1
1 164 . 16 1 1 A 15 15 ASP HA H 15 4.518 4.778 -0.260 1
1 167 . 16 1 1 A 15 15 ASP C C 15 177.402 176.271 1.131 1
1 168 . 16 1 1 A 15 15 ASP CA C 15 52.635 53.696 -1.061 1
1 169 . 16 1 1 A 15 15 ASP CB C 15 40.912 41.166 -0.254 1
1 170 . 16 1 1 A 15 15 ASP N N 15 113.967 116.930 -2.963 1
1 171 . 16 1 1 A 16 16 GLY H H 16 7.986 7.616 0.370 1
1 172 . 16 1 1 A 16 16 GLY HA2 H 16 4.080 4.001 0.079 1
1 173 . 16 1 1 A 16 16 GLY HA3 H 16 3.529 4.008 -0.479 1
1 174 . 16 1 1 A 16 16 GLY C C 16 175.233 175.291 -0.058 1
1 175 . 16 1 1 A 16 16 GLY CA C 16 45.798 44.920 0.878 1
1 176 . 16 1 1 A 16 16 GLY N N 16 108.919 106.789 2.130 1
1 177 . 16 1 1 A 17 17 GLY H H 17 8.681 8.575 0.106 1
1 178 . 16 1 1 A 17 17 GLY HA2 H 17 4.513 3.925 0.588 1
1 179 . 16 1 1 A 17 17 GLY HA3 H 17 4.513 3.944 0.569 1
1 180 . 16 1 1 A 17 17 GLY C C 17 172.684 174.132 -1.448 1
1 181 . 16 1 1 A 17 17 GLY CA C 17 46.672 46.838 -0.166 1
1 182 . 16 1 1 A 17 17 GLY N N 17 108.663 108.774 -0.111 1
1 183 . 16 1 1 A 18 18 VAL H H 18 6.903 7.569 -0.666 1
1 184 . 16 1 1 A 18 18 VAL HA H 18 4.855 4.255 0.600 1
1 192 . 16 1 1 A 18 18 VAL C C 18 174.737 174.463 0.274 1
1 193 . 16 1 1 A 18 18 VAL CA C 18 62.035 60.363 1.672 1
1 194 . 16 1 1 A 18 18 VAL CB C 18 33.315 35.551 -2.236 1
1 197 . 16 1 1 A 18 18 VAL N N 18 117.234 119.019 -1.785 1
1 198 . 16 1 1 A 19 19 ILE H H 19 8.243 8.178 0.065 1
1 199 . 16 1 1 A 19 19 ILE HA H 19 4.665 4.563 0.102 1
1 209 . 16 1 1 A 19 19 ILE C C 19 174.360 175.331 -0.971 1
1 210 . 16 1 1 A 19 19 ILE CA C 19 60.736 60.567 0.169 1
1 211 . 16 1 1 A 19 19 ILE CB C 19 41.856 36.963 4.893 1
1 215 . 16 1 1 A 19 19 ILE N N 19 126.439 127.040 -0.601 1
1 216 . 16 1 1 A 20 20 LYS H H 20 9.345 8.872 0.473 1
1 217 . 16 1 1 A 20 20 LYS HA H 20 5.296 4.972 0.324 1
1 226 . 16 1 1 A 20 20 LYS C C 20 173.618 174.652 -1.034 1
1 227 . 16 1 1 A 20 20 LYS CA C 20 54.842 54.444 0.398 1
1 228 . 16 1 1 A 20 20 LYS CB C 20 36.261 36.026 0.235 1
1 232 . 16 1 1 A 20 20 LYS N N 20 129.408 124.812 4.596 1
1 233 . 16 1 1 A 21 21 THR H H 21 9.597 8.996 0.601 1
1 234 . 16 1 1 A 21 21 THR HA H 21 4.923 4.876 0.047 1
1 239 . 16 1 1 A 21 21 THR C C 21 174.648 172.926 1.722 1
1 240 . 16 1 1 A 21 21 THR CA C 21 61.703 61.523 0.180 1
1 241 . 16 1 1 A 21 21 THR CB C 21 70.230 71.594 -1.364 1
1 243 . 16 1 1 A 21 21 THR N N 21 123.469 116.087 7.382 1
1 244 . 16 1 1 A 22 22 ILE H H 22 9.248 8.757 0.491 1
1 245 . 16 1 1 A 22 22 ILE HA H 22 3.637 4.549 -0.912 1
1 255 . 16 1 1 A 22 22 ILE C C 22 174.348 175.078 -0.730 1
1 256 . 16 1 1 A 22 22 ILE CA C 22 64.258 60.618 3.640 1
1 257 . 16 1 1 A 22 22 ILE CB C 22 37.551 39.908 -2.357 1
1 261 . 16 1 1 A 22 22 ILE N N 22 128.517 127.138 1.379 1
1 262 . 16 1 1 A 23 23 LEU H H 23 8.498 8.346 0.152 1
1 263 . 16 1 1 A 23 23 LEU HA H 23 4.180 4.563 -0.383 1
1 273 . 16 1 1 A 23 23 LEU C C 23 177.521 176.208 1.313 1
1 274 . 16 1 1 A 23 23 LEU CA C 23 55.460 56.012 -0.552 1
1 275 . 16 1 1 A 23 23 LEU CB C 23 42.239 42.807 -0.568 1
1 279 . 16 1 1 A 23 23 LEU N N 23 128.517 129.655 -1.138 1
1 280 . 16 1 1 A 24 24 LYS H H 24 8.020 7.876 0.144 1
1 281 . 16 1 1 A 24 24 LYS HA H 24 4.392 4.762 -0.370 1
1 290 . 16 1 1 A 24 24 LYS C C 24 174.465 175.752 -1.287 1
1 291 . 16 1 1 A 24 24 LYS CA C 24 55.848 55.602 0.246 1
1 292 . 16 1 1 A 24 24 LYS CB C 24 35.692 33.638 2.054 1
1 296 . 16 1 1 A 24 24 LYS N N 24 120.797 117.163 3.634 1
1 297 . 16 1 1 A 25 25 LYS H H 25 8.657 9.089 -0.432 1
1 298 . 16 1 1 A 25 25 LYS HA H 25 4.178 5.031 -0.853 1
1 307 . 16 1 1 A 25 25 LYS C C 25 177.616 175.715 1.901 1
1 308 . 16 1 1 A 25 25 LYS CA C 25 57.218 54.775 2.443 1
1 309 . 16 1 1 A 25 25 LYS CB C 25 32.846 35.661 -2.815 1
1 313 . 16 1 1 A 25 25 LYS N N 25 126.439 121.393 5.046 1
1 314 . 16 1 1 A 26 26 GLY H H 26 9.728 9.259 0.469 1
1 315 . 16 1 1 A 26 26 GLY HA2 H 26 3.408 4.106 -0.698 1
1 316 . 16 1 1 A 26 26 GLY HA3 H 26 4.120 4.110 0.010 1
1 317 . 16 1 1 A 26 26 GLY C C 26 173.278 174.173 -0.895 1
1 318 . 16 1 1 A 26 26 GLY CA C 26 43.709 44.782 -1.073 1
1 319 . 16 1 1 A 26 26 GLY N N 26 110.404 107.739 2.665 1
1 320 . 16 1 1 A 27 27 ASP H H 27 8.550 9.102 -0.552 1
1 321 . 16 1 1 A 27 27 ASP HA H 27 4.401 4.803 -0.402 1
1 324 . 16 1 1 A 27 27 ASP C C 27 175.993 175.905 0.088 1
1 325 . 16 1 1 A 27 27 ASP CA C 27 55.105 55.497 -0.392 1
1 326 . 16 1 1 A 27 27 ASP CB C 27 41.688 42.692 -1.004 1
1 327 . 16 1 1 A 27 27 ASP N N 27 121.391 120.860 0.531 1
1 328 . 16 1 1 A 28 28 GLU H H 28 8.419 8.369 0.050 1
1 329 . 16 1 1 A 28 28 GLU HA H 28 4.063 4.792 -0.729 1
1 334 . 16 1 1 A 28 28 GLU C C 28 176.146 175.930 0.216 1
1 335 . 16 1 1 A 28 28 GLU CA C 28 57.076 54.485 2.591 1
1 336 . 16 1 1 A 28 28 GLU CB C 28 30.774 32.488 -1.714 1
1 338 . 16 1 1 A 28 28 GLU N N 28 120.203 114.366 5.837 1
1 339 . 16 1 1 A 29 29 GLY H H 29 8.364 8.691 -0.327 1
1 340 . 16 1 1 A 29 29 GLY HA2 H 29 4.758 4.077 0.681 1
1 341 . 16 1 1 A 29 29 GLY HA3 H 29 4.584 4.079 0.505 1
1 342 . 16 1 1 A 29 29 GLY C C 29 175.976 175.236 0.740 1
1 343 . 16 1 1 A 29 29 GLY CA C 29 44.686 45.689 -1.003 1
1 344 . 16 1 1 A 29 29 GLY N N 29 110.404 109.440 0.964 1
1 345 . 16 1 1 A 30 30 GLU H H 30 8.867 8.112 0.755 1
1 346 . 16 1 1 A 30 30 GLU HA H 30 3.749 3.961 -0.212 1
1 351 . 16 1 1 A 30 30 GLU C C 30 177.872 178.539 -0.667 1
1 352 . 16 1 1 A 30 30 GLU CA C 30 59.045 59.177 -0.132 1
1 353 . 16 1 1 A 30 30 GLU CB C 30 29.030 29.714 -0.684 1
1 355 . 16 1 1 A 30 30 GLU N N 30 125.251 121.054 4.197 1
1 356 . 16 1 1 A 31 31 GLU H H 31 9.842 7.746 2.096 1
1 357 . 16 1 1 A 31 31 GLU HA H 31 4.312 4.334 -0.022 1
1 362 . 16 1 1 A 31 31 GLU C C 31 176.330 176.848 -0.518 1
1 363 . 16 1 1 A 31 31 GLU CA C 31 57.437 56.683 0.754 1
1 364 . 16 1 1 A 31 31 GLU CB C 31 28.040 30.143 -2.103 1
1 366 . 16 1 1 A 31 31 GLU N N 31 118.421 118.237 0.184 1
1 367 . 16 1 1 A 32 32 ASN H H 32 7.731 7.731 0.000 1
1 368 . 16 1 1 A 32 32 ASN HA H 32 5.127 5.111 0.016 1
1 373 . 16 1 1 A 32 32 ASN C C 32 172.750 173.992 -1.242 1
1 374 . 16 1 1 A 32 32 ASN CA C 32 54.111 52.481 1.630 1
1 375 . 16 1 1 A 32 32 ASN CB C 32 40.161 38.960 1.201 1
1 376 . 16 1 1 A 32 32 ASN N N 32 116.937 118.231 -1.294 1
1 378 . 16 1 1 A 33 33 ILE H H 33 7.105 8.425 -1.320 1
1 379 . 16 1 1 A 33 33 ILE HA H 33 4.793 4.643 0.150 1
1 389 . 16 1 1 A 33 33 ILE CA C 33 57.895 57.724 0.171 1
1 390 . 16 1 1 A 33 33 ILE CB C 33 40.609 41.754 -1.145 1
1 394 . 16 1 1 A 33 33 ILE N N 33 121.985 125.569 -3.584 1
1 395 . 16 1 1 A 34 34 PRO HA H 34 4.065 4.911 -0.846 1
1 402 . 16 1 1 A 34 34 PRO C C 34 173.754 176.186 -2.432 1
1 403 . 16 1 1 A 34 34 PRO CA C 34 61.962 62.747 -0.785 1
1 404 . 16 1 1 A 34 34 PRO CB C 34 31.877 32.000 -0.123 1
1 407 . 16 1 1 A 35 35 LYS H H 35 7.101 8.848 -1.747 1
1 408 . 16 1 1 A 35 35 LYS HA H 35 4.377 4.686 -0.309 1
1 417 . 16 1 1 A 35 35 LYS C C 35 175.712 175.049 0.663 1
1 418 . 16 1 1 A 35 35 LYS CA C 35 53.404 54.743 -1.339 1
1 419 . 16 1 1 A 35 35 LYS CB C 35 35.229 36.914 -1.685 1
1 423 . 16 1 1 A 35 35 LYS N N 35 116.046 121.966 -5.920 1
1 424 . 16 1 1 A 36 36 LYS H H 36 8.144 8.551 -0.407 1
1 425 . 16 1 1 A 36 36 LYS HA H 36 3.515 3.940 -0.425 1
1 434 . 16 1 1 A 36 36 LYS C C 36 176.774 177.317 -0.543 1
1 435 . 16 1 1 A 36 36 LYS CA C 36 58.608 57.966 0.642 1
1 436 . 16 1 1 A 36 36 LYS CB C 36 32.089 32.270 -0.181 1
1 440 . 16 1 1 A 36 36 LYS N N 36 120.797 123.079 -2.282 1
1 441 . 16 1 1 A 37 37 GLY H H 37 9.113 8.879 0.234 1
1 442 . 16 1 1 A 37 37 GLY HA2 H 37 3.494 3.644 -0.150 1
1 443 . 16 1 1 A 37 37 GLY HA3 H 37 4.330 3.865 0.465 1
1 444 . 16 1 1 A 37 37 GLY C C 37 175.329 174.301 1.028 1
1 445 . 16 1 1 A 37 37 GLY CA C 37 44.853 44.871 -0.018 1
1 446 . 16 1 1 A 37 37 GLY N N 37 113.967 114.661 -0.694 1
1 447 . 16 1 1 A 38 38 ASN H H 38 8.447 7.562 0.885 1
1 448 . 16 1 1 A 38 38 ASN HA H 38 4.663 5.047 -0.384 1
1 453 . 16 1 1 A 38 38 ASN C C 38 174.878 175.040 -0.162 1
1 454 . 16 1 1 A 38 38 ASN CA C 38 53.557 52.380 1.177 1
1 455 . 16 1 1 A 38 38 ASN CB C 38 39.155 40.223 -1.068 1
1 457 . 16 1 1 A 38 38 ASN N N 38 117.828 118.773 -0.945 1
1 459 . 16 1 1 A 39 39 GLU H H 39 8.331 8.673 -0.342 1
1 460 . 16 1 1 A 39 39 GLU HA H 39 4.254 4.733 -0.479 1
1 465 . 16 1 1 A 39 39 GLU C C 39 175.656 176.282 -0.626 1
1 466 . 16 1 1 A 39 39 GLU CA C 39 55.804 55.915 -0.111 1
1 467 . 16 1 1 A 39 39 GLU CB C 39 31.464 30.759 0.705 1
1 469 . 16 1 1 A 39 39 GLU N N 39 121.094 120.241 0.853 1
1 470 . 16 1 1 A 40 40 VAL H H 40 9.138 8.776 0.362 1
1 471 . 16 1 1 A 40 40 VAL HA H 40 4.699 4.962 -0.263 1
1 479 . 16 1 1 A 40 40 VAL C C 40 173.240 174.247 -1.007 1
1 480 . 16 1 1 A 40 40 VAL CA C 40 59.559 59.495 0.064 1
1 481 . 16 1 1 A 40 40 VAL CB C 40 32.896 35.595 -2.699 1
1 484 . 16 1 1 A 40 40 VAL N N 40 125.845 118.285 7.560 1
1 485 . 16 1 1 A 41 41 THR H H 41 8.328 9.277 -0.949 1
1 486 . 16 1 1 A 41 41 THR HA H 41 4.982 4.795 0.187 1
1 491 . 16 1 1 A 41 41 THR C C 41 174.455 173.644 0.811 1
1 492 . 16 1 1 A 41 41 THR CA C 41 61.964 61.998 -0.034 1
1 493 . 16 1 1 A 41 41 THR CB C 41 69.623 69.567 0.056 1
1 495 . 16 1 1 A 41 41 THR N N 41 117.531 118.356 -0.825 1
1 496 . 16 1 1 A 42 42 VAL H H 42 9.581 8.391 1.190 1
1 497 . 16 1 1 A 42 42 VAL HA H 42 5.669 5.146 0.523 1
1 505 . 16 1 1 A 42 42 VAL C C 42 174.919 173.962 0.957 1
1 506 . 16 1 1 A 42 42 VAL CA C 42 57.930 59.679 -1.749 1
1 507 . 16 1 1 A 42 42 VAL CB C 42 35.321 34.560 0.761 1
1 510 . 16 1 1 A 42 42 VAL N N 42 117.828 120.684 -2.856 1
1 511 . 16 1 1 A 43 43 HIS H H 43 8.333 8.695 -0.362 1
1 512 . 16 1 1 A 43 43 HIS HA H 43 5.407 5.172 0.235 1
1 515 . 16 1 1 A 43 43 HIS C C 43 176.136 173.779 2.357 1
1 516 . 16 1 1 A 43 43 HIS CA C 43 54.147 54.910 -0.763 1
1 517 . 16 1 1 A 43 43 HIS CB C 43 35.339 33.169 2.170 1
1 518 . 16 1 1 A 43 43 HIS N N 43 119.906 125.683 -5.777 1
1 519 . 16 1 1 A 44 44 TYR H H 44 9.622 8.825 0.797 1
1 520 . 16 1 1 A 44 44 TYR HA H 44 6.247 6.586 -0.339 1
1 527 . 16 1 1 A 44 44 TYR C C 44 172.857 173.591 -0.734 1
1 528 . 16 1 1 A 44 44 TYR CA C 44 56.304 55.154 1.150 1
1 529 . 16 1 1 A 44 44 TYR CB C 44 43.537 42.378 1.159 1
1 530 . 16 1 1 A 44 44 TYR N N 44 117.234 121.767 -4.533 1
1 531 . 16 1 1 A 45 45 VAL H H 45 8.735 8.837 -0.102 1
1 532 . 16 1 1 A 45 45 VAL HA H 45 4.520 5.000 -0.480 1
1 540 . 16 1 1 A 45 45 VAL C C 45 175.200 174.790 0.410 1
1 541 . 16 1 1 A 45 45 VAL CA C 45 62.212 60.537 1.675 1
1 542 . 16 1 1 A 45 45 VAL CB C 45 35.550 34.999 0.551 1
1 545 . 16 1 1 A 45 45 VAL N N 45 118.125 119.413 -1.288 1
1 546 . 16 1 1 A 46 46 GLY H H 46 9.126 8.410 0.716 1
1 547 . 16 1 1 A 46 46 GLY HA2 H 46 4.539 4.136 0.403 1
1 548 . 16 1 1 A 46 46 GLY HA3 H 46 4.506 4.140 0.366 1
1 549 . 16 1 1 A 46 46 GLY C C 46 170.771 171.505 -0.734 1
1 550 . 16 1 1 A 46 46 GLY CA C 46 45.601 46.005 -0.404 1
1 551 . 16 1 1 A 46 46 GLY N N 46 114.858 111.339 3.519 1
1 552 . 16 1 1 A 47 47 LYS H H 47 9.121 7.938 1.183 1
1 553 . 16 1 1 A 47 47 LYS HA H 47 5.176 4.477 0.699 1
1 562 . 16 1 1 A 47 47 LYS C C 47 175.830 174.331 1.499 1
1 563 . 16 1 1 A 47 47 LYS CA C 47 53.937 54.053 -0.116 1
1 564 . 16 1 1 A 47 47 LYS CB C 47 37.021 36.135 0.886 1
1 568 . 16 1 1 A 47 47 LYS N N 47 123.469 118.865 4.604 1
1 569 . 16 1 1 A 48 48 LEU H H 48 8.016 8.980 -0.964 1
1 570 . 16 1 1 A 48 48 LEU HA H 48 4.692 4.463 0.229 1
1 580 . 16 1 1 A 48 48 LEU C C 48 178.031 176.510 1.521 1
1 581 . 16 1 1 A 48 48 LEU CA C 48 54.231 54.300 -0.069 1
1 582 . 16 1 1 A 48 48 LEU CB C 48 41.678 41.493 0.185 1
1 586 . 16 1 1 A 48 48 LEU N N 48 121.391 123.110 -1.719 1
1 587 . 16 1 1 A 49 49 GLU H H 49 8.085 8.579 -0.494 1
1 588 . 16 1 1 A 49 49 GLU HA H 49 3.835 3.837 -0.002 1
1 593 . 16 1 1 A 49 49 GLU C C 49 178.118 178.081 0.037 1
1 594 . 16 1 1 A 49 49 GLU CA C 49 59.974 59.407 0.567 1
1 595 . 16 1 1 A 49 49 GLU CB C 49 30.322 29.223 1.099 1
1 597 . 16 1 1 A 49 49 GLU N N 49 124.954 127.275 -2.321 1
1 598 . 16 1 1 A 50 50 SER H H 50 9.220 7.821 1.399 1
1 599 . 16 1 1 A 50 50 SER HA H 50 4.154 4.262 -0.108 1
1 602 . 16 1 1 A 50 50 SER C C 50 176.751 175.737 1.014 1
1 603 . 16 1 1 A 50 50 SER CA C 50 60.230 60.875 -0.645 1
1 604 . 16 1 1 A 50 50 SER CB C 50 62.229 63.185 -0.956 1
1 605 . 16 1 1 A 50 50 SER N N 50 112.186 115.005 -2.819 1
1 606 . 16 1 1 A 51 51 THR H H 51 6.784 7.918 -1.134 1
1 607 . 16 1 1 A 51 51 THR HA H 51 4.520 4.597 -0.077 1
1 612 . 16 1 1 A 51 51 THR C C 51 176.342 175.114 1.228 1
1 613 . 16 1 1 A 51 51 THR CA C 51 60.760 62.216 -1.456 1
1 614 . 16 1 1 A 51 51 THR CB C 51 71.046 71.156 -0.110 1
1 616 . 16 1 1 A 51 51 THR N N 51 105.653 112.750 -7.097 1
1 617 . 16 1 1 A 52 52 GLY H H 52 8.296 8.686 -0.390 1
1 618 . 16 1 1 A 52 52 GLY HA2 H 52 3.680 3.881 -0.201 1
1 619 . 16 1 1 A 52 52 GLY HA3 H 52 4.096 3.897 0.199 1
1 620 . 16 1 1 A 52 52 GLY C C 52 173.336 174.292 -0.956 1
1 621 . 16 1 1 A 52 52 GLY CA C 52 45.711 45.956 -0.245 1
1 622 . 16 1 1 A 52 52 GLY N N 52 112.483 110.810 1.673 1
1 623 . 16 1 1 A 53 53 LYS H H 53 7.479 7.447 0.032 1
1 624 . 16 1 1 A 53 53 LYS HA H 53 4.218 4.442 -0.224 1
1 633 . 16 1 1 A 53 53 LYS C C 53 176.513 175.453 1.060 1
1 634 . 16 1 1 A 53 53 LYS CA C 53 56.217 55.233 0.984 1
1 635 . 16 1 1 A 53 53 LYS CB C 53 33.430 33.289 0.141 1
1 639 . 16 1 1 A 53 53 LYS N N 53 119.609 119.384 0.225 1
1 640 . 16 1 1 A 54 54 VAL H H 54 8.511 8.428 0.083 1
1 641 . 16 1 1 A 54 54 VAL HA H 54 4.244 3.994 0.250 1
1 649 . 16 1 1 A 54 54 VAL C C 54 176.879 176.330 0.549 1
1 650 . 16 1 1 A 54 54 VAL CA C 54 62.409 62.480 -0.071 1
1 651 . 16 1 1 A 54 54 VAL CB C 54 32.697 32.745 -0.048 1
1 654 . 16 1 1 A 54 54 VAL N N 54 126.109 126.641 -0.532 1
1 655 . 16 1 1 A 55 55 PHE H H 55 8.325 8.252 0.073 1
1 656 . 16 1 1 A 55 55 PHE HA H 55 5.036 4.855 0.181 1
1 664 . 16 1 1 A 55 55 PHE C C 55 174.856 174.854 0.002 1
1 665 . 16 1 1 A 55 55 PHE CA C 55 55.758 58.675 -2.917 1
1 666 . 16 1 1 A 55 55 PHE CB C 55 40.399 40.327 0.072 1
1 667 . 16 1 1 A 55 55 PHE N N 55 124.063 125.111 -1.048 1
1 668 . 16 1 1 A 56 56 ASP H H 56 6.884 8.943 -2.059 1
1 669 . 16 1 1 A 56 56 ASP HA H 56 4.801 5.209 -0.408 1
1 672 . 16 1 1 A 56 56 ASP C C 56 173.688 174.622 -0.934 1
1 673 . 16 1 1 A 56 56 ASP CA C 56 54.956 54.212 0.744 1
1 674 . 16 1 1 A 56 56 ASP CB C 56 43.616 42.001 1.615 1
1 675 . 16 1 1 A 56 56 ASP N N 56 120.500 123.465 -2.965 1
1 676 . 16 1 1 A 57 57 SER H H 57 8.038 9.535 -1.497 1
1 677 . 16 1 1 A 57 57 SER HA H 57 4.796 5.029 -0.233 1
1 680 . 16 1 1 A 57 57 SER C C 57 174.997 173.894 1.103 1
1 681 . 16 1 1 A 57 57 SER CA C 57 55.792 57.346 -1.554 1
1 682 . 16 1 1 A 57 57 SER CB C 57 64.961 67.156 -2.195 1
1 683 . 16 1 1 A 57 57 SER N N 57 118.421 121.004 -2.583 1
1 684 . 16 1 1 A 58 58 SER H H 58 8.429 9.025 -0.596 1
1 685 . 16 1 1 A 58 58 SER HA H 58 4.080 4.084 -0.004 1
1 688 . 16 1 1 A 58 58 SER C C 58 177.399 175.706 1.693 1
1 689 . 16 1 1 A 58 58 SER CA C 58 61.499 62.182 -0.683 1
1 690 . 16 1 1 A 58 58 SER CB C 58 65.069 63.011 2.058 1
1 691 . 16 1 1 A 58 58 SER N N 58 123.766 117.214 6.552 1
1 692 . 16 1 1 A 59 59 PHE H H 59 7.276 7.680 -0.404 1
1 693 . 16 1 1 A 59 59 PHE HA H 59 3.851 4.462 -0.611 1
1 701 . 16 1 1 A 59 59 PHE C C 59 178.929 178.138 0.791 1
1 702 . 16 1 1 A 59 59 PHE CA C 59 61.010 59.948 1.062 1
1 703 . 16 1 1 A 59 59 PHE CB C 59 38.129 40.033 -1.904 1
1 704 . 16 1 1 A 59 59 PHE N N 59 121.845 118.733 3.112 1
1 705 . 16 1 1 A 60 60 ASP H H 60 7.534 8.752 -1.218 1
1 706 . 16 1 1 A 60 60 ASP HA H 60 4.343 4.382 -0.039 1
1 709 . 16 1 1 A 60 60 ASP C C 60 177.295 177.283 0.012 1
1 710 . 16 1 1 A 60 60 ASP CA C 60 56.921 56.826 0.095 1
1 711 . 16 1 1 A 60 60 ASP CB C 60 40.298 39.965 0.333 1
1 712 . 16 1 1 A 60 60 ASP N N 60 119.015 119.457 -0.442 1
1 713 . 16 1 1 A 61 61 ARG H H 61 7.224 8.062 -0.838 1
1 714 . 16 1 1 A 61 61 ARG HA H 61 4.378 4.388 -0.010 1
1 721 . 16 1 1 A 61 61 ARG C C 61 175.798 177.085 -1.287 1
1 722 . 16 1 1 A 61 61 ARG CA C 61 55.209 57.180 -1.971 1
1 723 . 16 1 1 A 61 61 ARG CB C 61 32.610 30.800 1.810 1
1 726 . 16 1 1 A 61 61 ARG N N 61 115.452 118.005 -2.553 1
1 727 . 16 1 1 A 62 62 ASN H H 62 7.946 8.463 -0.517 1
1 728 . 16 1 1 A 62 62 ASN HA H 62 4.392 5.052 -0.660 1
1 733 . 16 1 1 A 62 62 ASN C C 62 173.776 174.760 -0.984 1
1 734 . 16 1 1 A 62 62 ASN CA C 62 54.269 54.692 -0.423 1
1 735 . 16 1 1 A 62 62 ASN CB C 62 38.597 40.967 -2.370 1
1 737 . 16 1 1 A 62 62 ASN N N 62 115.196 117.625 -2.429 1
1 739 . 16 1 1 A 63 63 VAL H H 63 7.278 8.549 -1.271 1
1 740 . 16 1 1 A 63 63 VAL HA H 63 4.628 4.547 0.081 1
1 748 . 16 1 1 A 63 63 VAL CA C 63 62.601 59.277 3.324 1
1 749 . 16 1 1 A 63 63 VAL CB C 63 35.186 33.943 1.243 1
1 752 . 16 1 1 A 63 63 VAL N N 63 115.155 117.095 -1.940 1
1 753 . 16 1 1 A 64 64 PRO HA H 64 4.516 4.685 -0.169 1
1 760 . 16 1 1 A 64 64 PRO C C 64 174.254 176.102 -1.848 1
1 761 . 16 1 1 A 64 64 PRO CA C 64 62.601 62.524 0.077 1
1 762 . 16 1 1 A 64 64 PRO CB C 64 31.977 32.512 -0.535 1
1 765 . 16 1 1 A 65 65 PHE H H 65 9.109 8.584 0.525 1
1 766 . 16 1 1 A 65 65 PHE HA H 65 4.821 4.994 -0.173 1
1 774 . 16 1 1 A 65 65 PHE C C 65 173.320 174.557 -1.237 1
1 775 . 16 1 1 A 65 65 PHE CA C 65 57.292 57.691 -0.399 1
1 776 . 16 1 1 A 65 65 PHE CB C 65 42.894 41.684 1.210 1
1 777 . 16 1 1 A 65 65 PHE N N 65 123.469 123.485 -0.016 1
1 778 . 16 1 1 A 66 66 LYS H H 66 7.474 8.503 -1.029 1
1 779 . 16 1 1 A 66 66 LYS HA H 66 5.378 5.379 -0.001 1
1 788 . 16 1 1 A 66 66 LYS C C 66 175.026 174.566 0.460 1
1 789 . 16 1 1 A 66 66 LYS CA C 66 53.876 54.631 -0.755 1
1 790 . 16 1 1 A 66 66 LYS CB C 66 35.471 36.578 -1.107 1
1 794 . 16 1 1 A 66 66 LYS N N 66 125.548 123.698 1.850 1
1 795 . 16 1 1 A 67 67 PHE H H 67 8.114 8.115 -0.001 1
1 796 . 16 1 1 A 67 67 PHE HA H 67 4.469 5.391 -0.922 1
1 804 . 16 1 1 A 67 67 PHE C C 67 172.049 172.578 -0.529 1
1 805 . 16 1 1 A 67 67 PHE CA C 67 55.662 55.435 0.227 1
1 806 . 16 1 1 A 67 67 PHE CB C 67 40.087 41.818 -1.731 1
1 807 . 16 1 1 A 67 67 PHE N N 67 115.419 117.186 -1.767 1
1 808 . 16 1 1 A 68 68 HIS H H 68 8.983 8.944 0.039 1
1 809 . 16 1 1 A 68 68 HIS HA H 68 5.482 5.190 0.292 1
1 812 . 16 1 1 A 68 68 HIS C C 68 174.742 175.004 -0.262 1
1 813 . 16 1 1 A 68 68 HIS CA C 68 55.348 54.511 0.837 1
1 814 . 16 1 1 A 68 68 HIS CB C 68 28.470 32.281 -3.811 1
1 815 . 16 1 1 A 68 68 HIS N N 68 118.421 116.812 1.609 1
1 816 . 16 1 1 A 69 69 LEU H H 69 8.317 8.670 -0.353 1
1 817 . 16 1 1 A 69 69 LEU HA H 69 4.016 4.402 -0.386 1
1 827 . 16 1 1 A 69 69 LEU CA C 69 56.060 55.954 0.106 1
1 828 . 16 1 1 A 69 69 LEU CB C 69 42.903 42.129 0.774 1
1 832 . 16 1 1 A 69 69 LEU N N 69 126.736 124.903 1.833 1
1 833 . 16 1 1 A 70 70 GLU H H 70 9.618 9.150 0.468 1
1 834 . 16 1 1 A 70 70 GLU HA H 70 3.847 4.068 -0.221 1
1 839 . 16 1 1 A 70 70 GLU C C 70 174.818 177.288 -2.470 1
1 840 . 16 1 1 A 70 70 GLU CA C 70 58.625 57.243 1.382 1
1 841 . 16 1 1 A 70 70 GLU CB C 70 27.456 28.206 -0.750 1
1 843 . 16 1 1 A 70 70 GLU N N 70 124.954 126.201 -1.247 1
1 844 . 16 1 1 A 71 71 GLN H H 71 8.248 8.222 0.026 1
1 845 . 16 1 1 A 71 71 GLN HA H 71 4.678 4.410 0.268 1
1 852 . 16 1 1 A 71 71 GLN CA C 71 54.218 54.799 -0.581 1
1 853 . 16 1 1 A 71 71 GLN CB C 71 30.422 28.096 2.326 1
1 856 . 16 1 1 A 71 71 GLN N N 71 114.858 118.991 -4.133 1
1 858 . 16 1 1 A 72 72 GLY H H 72 8.362 7.768 0.594 1
1 859 . 16 1 1 A 72 72 GLY HA2 H 72 4.145 3.994 0.151 1
1 860 . 16 1 1 A 72 72 GLY HA3 H 72 4.059 4.019 0.040 1
1 861 . 16 1 1 A 72 72 GLY C C 72 175.783 175.605 0.178 1
1 862 . 16 1 1 A 72 72 GLY CA C 72 46.838 45.573 1.265 1
1 863 . 16 1 1 A 72 72 GLY N N 72 110.404 109.507 0.897 1
1 864 . 16 1 1 A 73 73 GLU H H 73 9.085 8.258 0.827 1
1 865 . 16 1 1 A 73 73 GLU HA H 73 4.187 4.247 -0.060 1
1 870 . 16 1 1 A 73 73 GLU C C 73 175.522 176.274 -0.752 1
1 871 . 16 1 1 A 73 73 GLU CA C 73 57.443 56.878 0.565 1
1 872 . 16 1 1 A 73 73 GLU CB C 73 31.378 30.247 1.131 1
1 874 . 16 1 1 A 73 73 GLU N N 73 118.421 117.876 0.545 1
1 875 . 16 1 1 A 74 74 VAL H H 74 6.862 7.421 -0.559 1
1 876 . 16 1 1 A 74 74 VAL HA H 74 4.281 4.323 -0.042 1
1 884 . 16 1 1 A 74 74 VAL C C 74 175.773 175.524 0.249 1
1 885 . 16 1 1 A 74 74 VAL CA C 74 57.468 60.305 -2.837 1
1 886 . 16 1 1 A 74 74 VAL CB C 74 36.344 34.145 2.199 1
1 889 . 16 1 1 A 74 74 VAL N N 74 108.919 114.736 -5.817 1
1 890 . 16 1 1 A 75 75 ILE H H 75 7.462 9.093 -1.631 1
1 891 . 16 1 1 A 75 75 ILE HA H 75 3.844 4.287 -0.443 1
1 901 . 16 1 1 A 75 75 ILE C C 75 177.618 177.251 0.367 1
1 902 . 16 1 1 A 75 75 ILE CA C 75 62.213 62.540 -0.327 1
1 903 . 16 1 1 A 75 75 ILE CB C 75 37.337 38.398 -1.061 1
1 907 . 16 1 1 A 75 75 ILE N N 75 113.373 123.448 -10.075 1
1 908 . 16 1 1 A 76 76 LYS H H 76 9.047 8.169 0.878 1
1 909 . 16 1 1 A 76 76 LYS HA H 76 4.282 4.510 -0.228 1
1 918 . 16 1 1 A 76 76 LYS C C 76 180.009 178.358 1.651 1
1 919 . 16 1 1 A 76 76 LYS CA C 76 59.482 57.257 2.225 1
1 920 . 16 1 1 A 76 76 LYS CB C 76 32.740 35.118 -2.378 1
1 924 . 16 1 1 A 76 76 LYS N N 76 124.954 121.116 3.838 1
1 925 . 16 1 1 A 77 77 GLY H H 77 9.775 8.108 1.667 1
1 926 . 16 1 1 A 77 77 GLY HA2 H 77 3.786 3.263 0.523 1
1 927 . 16 1 1 A 77 77 GLY HA3 H 77 3.618 3.298 0.320 1
1 928 . 16 1 1 A 77 77 GLY C C 77 175.261 176.510 -1.249 1
1 929 . 16 1 1 A 77 77 GLY CA C 77 47.402 47.036 0.366 1
1 930 . 16 1 1 A 77 77 GLY N N 77 101.199 108.100 -6.901 1
1 931 . 16 1 1 A 78 78 TRP H H 78 7.817 7.960 -0.143 1
1 932 . 16 1 1 A 78 78 TRP HA H 78 4.017 4.835 -0.818 1
1 940 . 16 1 1 A 78 78 TRP C C 78 177.610 178.030 -0.420 1
1 941 . 16 1 1 A 78 78 TRP CA C 78 61.524 60.378 1.146 1
1 942 . 16 1 1 A 78 78 TRP CB C 78 28.655 29.374 -0.719 1
1 943 . 16 1 1 A 78 78 TRP N N 78 120.203 122.440 -2.237 1
1 944 . 16 1 1 A 79 79 ASP H H 79 6.967 8.347 -1.380 1
1 945 . 16 1 1 A 79 79 ASP HA H 79 4.738 4.466 0.272 1
1 948 . 16 1 1 A 79 79 ASP C C 79 179.125 179.089 0.036 1
1 949 . 16 1 1 A 79 79 ASP CA C 79 58.492 57.711 0.781 1
1 950 . 16 1 1 A 79 79 ASP CB C 79 41.181 41.755 -0.574 1
1 951 . 16 1 1 A 79 79 ASP N N 79 121.688 120.177 1.511 1
1 952 . 16 1 1 A 80 80 ILE H H 80 8.173 7.609 0.564 1
1 953 . 16 1 1 A 80 80 ILE HA H 80 3.617 3.637 -0.020 1
1 963 . 16 1 1 A 80 80 ILE C C 80 177.849 177.780 0.069 1
1 964 . 16 1 1 A 80 80 ILE CA C 80 64.758 65.227 -0.469 1
1 965 . 16 1 1 A 80 80 ILE CB C 80 39.198 37.809 1.389 1
1 969 . 16 1 1 A 80 80 ILE N N 80 118.125 118.963 -0.838 1
1 970 . 16 1 1 A 81 81 CYS H H 81 7.961 8.312 -0.351 1
1 971 . 16 1 1 A 81 81 CYS HA H 81 4.456 4.062 0.394 1
1 974 . 16 1 1 A 81 81 CYS C C 81 178.812 176.862 1.950 1
1 975 . 16 1 1 A 81 81 CYS CA C 81 63.059 62.748 0.311 1
1 976 . 16 1 1 A 81 81 CYS CB C 81 27.732 26.552 1.180 1
1 977 . 16 1 1 A 81 81 CYS N N 81 116.937 121.047 -4.110 1
1 978 . 16 1 1 A 82 82 VAL H H 82 9.434 8.483 0.951 1
1 979 . 16 1 1 A 82 82 VAL HA H 82 3.476 3.827 -0.351 1
1 987 . 16 1 1 A 82 82 VAL C C 82 176.456 178.082 -1.626 1
1 988 . 16 1 1 A 82 82 VAL CA C 82 66.977 65.117 1.860 1
1 989 . 16 1 1 A 82 82 VAL CB C 82 30.171 31.682 -1.511 1
1 992 . 16 1 1 A 82 82 VAL N N 82 121.688 119.082 2.606 1
1 993 . 16 1 1 A 83 83 SER H H 83 7.541 7.870 -0.329 1
1 994 . 16 1 1 A 83 83 SER HA H 83 3.964 4.099 -0.135 1
1 997 . 16 1 1 A 83 83 SER C C 83 173.661 176.108 -2.447 1
1 998 . 16 1 1 A 83 83 SER CA C 83 61.551 61.593 -0.042 1
1 999 . 16 1 1 A 83 83 SER CB C 83 63.239 62.990 0.249 1
1 1000 . 16 1 1 A 83 83 SER N N 83 111.889 117.524 -5.635 1
1 1001 . 16 1 1 A 84 84 SER H H 84 7.471 8.073 -0.602 1
1 1002 . 16 1 1 A 84 84 SER HA H 84 4.530 4.762 -0.232 1
1 1005 . 16 1 1 A 84 84 SER C C 84 174.314 173.261 1.053 1
1 1006 . 16 1 1 A 84 84 SER CA C 84 58.440 58.025 0.415 1
1 1007 . 16 1 1 A 84 84 SER CB C 84 65.929 63.413 2.516 1
1 1008 . 16 1 1 A 84 84 SER N N 84 114.264 113.695 0.569 1
1 1009 . 16 1 1 A 85 85 MET H H 85 7.441 7.521 -0.080 1
1 1010 . 16 1 1 A 85 85 MET HA H 85 4.262 5.204 -0.942 1
1 1015 . 16 1 1 A 85 85 MET C C 85 172.768 174.359 -1.591 1
1 1016 . 16 1 1 A 85 85 MET CA C 85 56.502 53.985 2.517 1
1 1017 . 16 1 1 A 85 85 MET CB C 85 36.378 36.303 0.075 1
1 1019 . 16 1 1 A 85 85 MET N N 85 124.657 120.644 4.013 1
1 1020 . 16 1 1 A 86 86 ARG H H 86 7.045 8.321 -1.276 1
1 1021 . 16 1 1 A 86 86 ARG HA H 86 4.879 4.661 0.218 1
1 1028 . 16 1 1 A 86 86 ARG C C 86 177.468 176.069 1.399 1
1 1029 . 16 1 1 A 86 86 ARG CA C 86 53.395 53.895 -0.500 1
1 1030 . 16 1 1 A 86 86 ARG CB C 86 33.244 33.785 -0.541 1
1 1033 . 16 1 1 A 86 86 ARG N N 86 114.264 118.940 -4.676 1
1 1034 . 16 1 1 A 87 87 LYS H H 87 8.818 8.581 0.237 1
1 1035 . 16 1 1 A 87 87 LYS HA H 87 3.554 3.785 -0.231 1
1 1044 . 16 1 1 A 87 87 LYS C C 87 175.382 176.949 -1.567 1
1 1045 . 16 1 1 A 87 87 LYS CA C 87 60.175 58.279 1.896 1
1 1046 . 16 1 1 A 87 87 LYS CB C 87 33.195 32.471 0.724 1
1 1050 . 16 1 1 A 87 87 LYS N N 87 121.391 122.793 -1.402 1
1 1051 . 16 1 1 A 88 88 ASN H H 88 8.943 8.010 0.933 1
1 1052 . 16 1 1 A 88 88 ASN HA H 88 4.291 4.901 -0.610 1
1 1057 . 16 1 1 A 88 88 ASN C C 88 174.124 173.795 0.329 1
1 1058 . 16 1 1 A 88 88 ASN CA C 88 56.703 52.653 4.050 1
1 1059 . 16 1 1 A 88 88 ASN CB C 88 36.677 39.397 -2.720 1
1 1060 . 16 1 1 A 88 88 ASN N N 88 116.640 115.104 1.536 1
1 1062 . 16 1 1 A 89 89 GLU H H 89 8.677 7.225 1.452 1
1 1063 . 16 1 1 A 89 89 GLU HA H 89 4.358 5.178 -0.820 1
1 1068 . 16 1 1 A 89 89 GLU C C 89 174.903 174.474 0.429 1
1 1069 . 16 1 1 A 89 89 GLU CA C 89 56.190 54.759 1.431 1
1 1070 . 16 1 1 A 89 89 GLU CB C 89 33.096 33.355 -0.259 1
1 1072 . 16 1 1 A 89 89 GLU N N 89 122.876 120.856 2.020 1
1 1073 . 16 1 1 A 90 90 LYS H H 90 8.580 8.883 -0.303 1
1 1074 . 16 1 1 A 90 90 LYS HA H 90 5.542 4.958 0.584 1
1 1083 . 16 1 1 A 90 90 LYS C C 90 175.593 174.525 1.068 1
1 1084 . 16 1 1 A 90 90 LYS CA C 90 54.210 55.965 -1.755 1
1 1085 . 16 1 1 A 90 90 LYS CB C 90 36.189 36.032 0.157 1
1 1089 . 16 1 1 A 90 90 LYS N N 90 123.469 124.409 -0.940 1
1 1090 . 16 1 1 A 91 91 CYS H H 91 9.673 8.201 1.472 1
1 1091 . 16 1 1 A 91 91 CYS HA H 91 5.524 5.128 0.396 1
1 1094 . 16 1 1 A 91 91 CYS C C 91 170.527 173.021 -2.494 1
1 1095 . 16 1 1 A 91 91 CYS CA C 91 54.690 57.364 -2.674 1
1 1096 . 16 1 1 A 91 91 CYS CB C 91 32.542 32.626 -0.084 1
1 1097 . 16 1 1 A 91 91 CYS N N 91 122.579 123.763 -1.184 1
1 1098 . 16 1 1 A 92 92 LEU H H 92 8.984 8.680 0.304 1
1 1099 . 16 1 1 A 92 92 LEU HA H 92 5.458 4.975 0.483 1
1 1109 . 16 1 1 A 92 92 LEU C C 92 175.596 175.089 0.507 1
1 1110 . 16 1 1 A 92 92 LEU CA C 92 53.413 53.471 -0.058 1
1 1111 . 16 1 1 A 92 92 LEU CB C 92 44.972 42.908 2.064 1
1 1115 . 16 1 1 A 92 92 LEU N N 92 122.282 122.403 -0.121 1
1 1116 . 16 1 1 A 93 93 VAL H H 93 10.107 8.688 1.419 1
1 1117 . 16 1 1 A 93 93 VAL HA H 93 5.506 4.830 0.676 1
1 1125 . 16 1 1 A 93 93 VAL C C 93 171.051 174.012 -2.961 1
1 1126 . 16 1 1 A 93 93 VAL CA C 93 58.200 59.789 -1.589 1
1 1127 . 16 1 1 A 93 93 VAL CB C 93 35.276 34.326 0.950 1
1 1130 . 16 1 1 A 93 93 VAL N N 93 126.224 125.686 0.538 1
1 1131 . 16 1 1 A 94 94 ARG H H 94 8.949 8.600 0.349 1
1 1132 . 16 1 1 A 94 94 ARG HA H 94 5.133 4.843 0.290 1
1 1139 . 16 1 1 A 94 94 ARG C C 94 175.823 175.194 0.629 1
1 1140 . 16 1 1 A 94 94 ARG CA C 94 56.219 55.842 0.377 1
1 1141 . 16 1 1 A 94 94 ARG CB C 94 32.039 30.967 1.072 1
1 1144 . 16 1 1 A 94 94 ARG N N 94 130.596 126.578 4.018 1
1 1145 . 16 1 1 A 95 95 ILE H H 95 9.655 8.893 0.762 1
1 1146 . 16 1 1 A 95 95 ILE HA H 95 4.899 4.535 0.364 1
1 1156 . 16 1 1 A 95 95 ILE C C 95 175.215 175.007 0.208 1
1 1157 . 16 1 1 A 95 95 ILE CA C 95 60.582 60.446 0.136 1
1 1158 . 16 1 1 A 95 95 ILE CB C 95 37.359 37.428 -0.069 1
1 1162 . 16 1 1 A 95 95 ILE N N 95 129.905 126.267 3.638 1
1 1163 . 16 1 1 A 96 96 GLU H H 96 9.213 8.853 0.360 1
1 1164 . 16 1 1 A 96 96 GLU HA H 96 4.320 4.658 -0.338 1
1 1169 . 16 1 1 A 96 96 GLU C C 96 177.897 177.157 0.740 1
1 1170 . 16 1 1 A 96 96 GLU CA C 96 57.568 54.708 2.860 1
1 1171 . 16 1 1 A 96 96 GLU CB C 96 29.676 32.356 -2.680 1
1 1173 . 16 1 1 A 96 96 GLU N N 96 126.439 128.925 -2.486 1
1 1174 . 16 1 1 A 97 97 SER H H 97 8.693 8.651 0.042 1
1 1175 . 16 1 1 A 97 97 SER HA H 97 4.370 4.052 0.318 1
1 1178 . 16 1 1 A 97 97 SER C C 97 178.668 175.849 2.819 1
1 1179 . 16 1 1 A 97 97 SER CA C 97 62.800 61.471 1.329 1
1 1180 . 16 1 1 A 97 97 SER CB C 97 64.591 62.950 1.641 1
1 1181 . 16 1 1 A 97 97 SER N N 97 115.749 119.242 -3.493 1
1 1182 . 16 1 1 A 98 98 MET H H 98 8.937 8.056 0.881 1
1 1183 . 16 1 1 A 98 98 MET HA H 98 4.170 4.186 -0.016 1
1 1188 . 16 1 1 A 98 98 MET C C 98 179.250 176.120 3.130 1
1 1189 . 16 1 1 A 98 98 MET CA C 98 58.702 56.883 1.819 1
1 1190 . 16 1 1 A 98 98 MET CB C 98 31.047 31.823 -0.776 1
1 1192 . 16 1 1 A 98 98 MET N N 98 121.985 118.861 3.124 1
1 1193 . 16 1 1 A 99 99 TYR H H 99 7.927 7.938 -0.011 1
1 1194 . 16 1 1 A 99 99 TYR HA H 99 4.435 4.675 -0.240 1
1 1201 . 16 1 1 A 99 99 TYR C C 99 173.125 175.409 -2.284 1
1 1202 . 16 1 1 A 99 99 TYR CA C 99 58.064 58.161 -0.097 1
1 1203 . 16 1 1 A 99 99 TYR CB C 99 39.570 39.125 0.445 1
1 1204 . 16 1 1 A 99 99 TYR N N 99 116.640 117.981 -1.341 1
1 1205 . 16 1 1 A 100 100 GLY H H 100 7.802 7.545 0.257 1
1 1206 . 16 1 1 A 100 100 GLY HA2 H 100 3.223 4.217 -0.994 1
1 1207 . 16 1 1 A 100 100 GLY HA3 H 100 4.309 4.271 0.038 1
1 1208 . 16 1 1 A 100 100 GLY C C 100 173.213 174.128 -0.915 1
1 1209 . 16 1 1 A 100 100 GLY CA C 100 45.062 44.836 0.226 1
1 1210 . 16 1 1 A 100 100 GLY N N 100 110.998 107.145 3.853 1
1 1211 . 16 1 1 A 101 101 TYR H H 101 9.407 8.958 0.449 1
1 1212 . 16 1 1 A 101 101 TYR HA H 101 4.443 4.574 -0.131 1
1 1219 . 16 1 1 A 101 101 TYR C C 101 176.014 176.144 -0.130 1
1 1220 . 16 1 1 A 101 101 TYR CA C 101 58.944 58.142 0.802 1
1 1221 . 16 1 1 A 101 101 TYR CB C 101 37.732 38.697 -0.965 1
1 1222 . 16 1 1 A 101 101 TYR N N 101 126.439 117.363 9.076 1
1 1223 . 16 1 1 A 102 102 GLY H H 102 8.231 8.073 0.158 1
1 1224 . 16 1 1 A 102 102 GLY HA2 H 102 4.001 3.992 0.009 1
1 1225 . 16 1 1 A 102 102 GLY HA3 H 102 3.715 3.999 -0.284 1
1 1226 . 16 1 1 A 102 102 GLY C C 102 175.685 174.511 1.174 1
1 1227 . 16 1 1 A 102 102 GLY CA C 102 46.447 45.772 0.675 1
1 1228 . 16 1 1 A 102 102 GLY N N 102 107.138 108.351 -1.213 1
1 1229 . 16 1 1 A 103 103 ASP H H 103 8.983 9.007 -0.024 1
1 1230 . 16 1 1 A 103 103 ASP HA H 103 4.277 4.646 -0.369 1
1 1233 . 16 1 1 A 103 103 ASP C C 103 176.677 178.601 -1.924 1
1 1234 . 16 1 1 A 103 103 ASP CA C 103 56.352 55.415 0.937 1
1 1235 . 16 1 1 A 103 103 ASP CB C 103 40.640 40.921 -0.281 1
1 1236 . 16 1 1 A 103 103 ASP N N 103 124.954 123.902 1.052 1
1 1237 . 16 1 1 A 104 104 GLU H H 104 8.552 8.045 0.507 1
1 1238 . 16 1 1 A 104 104 GLU HA H 104 4.139 4.041 0.098 1
1 1243 . 16 1 1 A 104 104 GLU C C 104 179.142 177.758 1.384 1
1 1244 . 16 1 1 A 104 104 GLU CA C 104 58.100 59.568 -1.468 1
1 1245 . 16 1 1 A 104 104 GLU CB C 104 30.076 29.354 0.722 1
1 1247 . 16 1 1 A 104 104 GLU N N 104 117.531 118.816 -1.285 1
1 1248 . 16 1 1 A 105 105 GLY H H 105 7.188 7.714 -0.526 1
1 1249 . 16 1 1 A 105 105 GLY HA2 H 105 3.137 4.013 -0.876 1
1 1250 . 16 1 1 A 105 105 GLY HA3 H 105 4.012 4.037 -0.025 1
1 1251 . 16 1 1 A 105 105 GLY C C 105 171.730 172.879 -1.149 1
1 1252 . 16 1 1 A 105 105 GLY CA C 105 44.214 44.964 -0.750 1
1 1253 . 16 1 1 A 105 105 GLY N N 105 104.168 107.937 -3.769 1
1 1254 . 16 1 1 A 106 106 CYS H H 106 9.026 8.401 0.625 1
1 1255 . 16 1 1 A 106 106 CYS HA H 106 4.253 4.725 -0.472 1
1 1258 . 16 1 1 A 106 106 CYS C C 106 173.438 175.523 -2.085 1
1 1259 . 16 1 1 A 106 106 CYS CA C 106 57.814 59.232 -1.418 1
1 1260 . 16 1 1 A 106 106 CYS CB C 106 26.162 27.640 -1.478 1
1 1261 . 16 1 1 A 106 106 CYS N N 106 121.949 118.323 3.626 1
1 1262 . 16 1 1 A 107 107 GLY H H 107 8.584 8.559 0.025 1
1 1263 . 16 1 1 A 107 107 GLY HA2 H 107 3.706 4.299 -0.593 1
1 1264 . 16 1 1 A 107 107 GLY HA3 H 107 3.954 4.343 -0.389 1
1 1265 . 16 1 1 A 107 107 GLY C C 107 173.461 174.351 -0.890 1
1 1266 . 16 1 1 A 107 107 GLY CA C 107 45.258 43.802 1.456 1
1 1267 . 16 1 1 A 107 107 GLY N N 107 114.561 112.227 2.334 1
1 1268 . 16 1 1 A 108 108 GLU H H 108 8.503 8.660 -0.157 1
1 1269 . 16 1 1 A 108 108 GLU HA H 108 4.051 4.240 -0.189 1
1 1274 . 16 1 1 A 108 108 GLU C C 108 178.118 178.635 -0.517 1
1 1275 . 16 1 1 A 108 108 GLU CA C 108 57.478 58.201 -0.723 1
1 1276 . 16 1 1 A 108 108 GLU CB C 108 29.835 30.335 -0.500 1
1 1278 . 16 1 1 A 108 108 GLU N N 108 119.609 118.546 1.063 1
1 1279 . 16 1 1 A 109 109 SER H H 109 8.082 7.867 0.215 1
1 1280 . 16 1 1 A 109 109 SER HA H 109 4.127 4.293 -0.166 1
1 1283 . 16 1 1 A 109 109 SER C C 109 173.569 174.741 -1.172 1
1 1284 . 16 1 1 A 109 109 SER CA C 109 60.141 60.318 -0.177 1
1 1285 . 16 1 1 A 109 109 SER CB C 109 63.935 63.349 0.586 1
1 1286 . 16 1 1 A 109 109 SER N N 109 112.186 114.155 -1.969 1
1 1287 . 16 1 1 A 110 110 ILE H H 110 6.570 7.717 -1.147 1
1 1288 . 16 1 1 A 110 110 ILE HA H 110 4.235 4.569 -0.334 1
1 1298 . 16 1 1 A 110 110 ILE CA C 110 58.031 57.767 0.264 1
1 1299 . 16 1 1 A 110 110 ILE CB C 110 39.086 38.591 0.495 1
1 1303 . 16 1 1 A 110 110 ILE N N 110 116.937 115.374 1.563 1
1 1304 . 16 1 1 A 111 111 PRO HA H 111 4.510 4.825 -0.315 1
1 1311 . 16 1 1 A 111 111 PRO C C 111 179.076 176.273 2.803 1
1 1312 . 16 1 1 A 111 111 PRO CA C 111 61.703 62.602 -0.899 1
1 1313 . 16 1 1 A 111 111 PRO CB C 111 32.729 33.359 -0.630 1
1 1316 . 16 1 1 A 112 112 GLY H H 112 9.018 8.258 0.760 1
1 1317 . 16 1 1 A 112 112 GLY HA2 H 112 3.461 4.186 -0.725 1
1 1318 . 16 1 1 A 112 112 GLY HA3 H 112 3.714 4.186 -0.472 1
1 1319 . 16 1 1 A 112 112 GLY C C 112 172.723 172.659 0.064 1
1 1320 . 16 1 1 A 112 112 GLY CA C 112 46.262 44.704 1.558 1
1 1321 . 16 1 1 A 112 112 GLY N N 112 111.592 106.517 5.075 1
1 1322 . 16 1 1 A 113 113 ASN H H 113 8.381 8.761 -0.380 1
1 1323 . 16 1 1 A 113 113 ASN HA H 113 4.278 4.865 -0.587 1
1 1328 . 16 1 1 A 113 113 ASN C C 113 174.643 173.890 0.753 1
1 1329 . 16 1 1 A 113 113 ASN CA C 113 54.388 52.060 2.328 1
1 1330 . 16 1 1 A 113 113 ASN CB C 113 37.204 38.258 -1.054 1
1 1331 . 16 1 1 A 113 113 ASN N N 113 116.937 120.507 -3.570 1
1 1333 . 16 1 1 A 114 114 SER H H 114 7.617 7.641 -0.024 1
1 1334 . 16 1 1 A 114 114 SER HA H 114 4.517 5.057 -0.540 1
1 1337 . 16 1 1 A 114 114 SER C C 114 172.904 172.136 0.768 1
1 1338 . 16 1 1 A 114 114 SER CA C 114 59.864 57.526 2.338 1
1 1339 . 16 1 1 A 114 114 SER CB C 114 64.678 66.377 -1.699 1
1 1340 . 16 1 1 A 114 114 SER N N 114 113.077 116.429 -3.352 1
1 1341 . 16 1 1 A 115 115 VAL H H 115 8.500 8.429 0.071 1
1 1342 . 16 1 1 A 115 115 VAL HA H 115 4.341 4.518 -0.177 1
1 1350 . 16 1 1 A 115 115 VAL C C 115 176.075 174.289 1.786 1
1 1351 . 16 1 1 A 115 115 VAL CA C 115 62.705 61.141 1.564 1
1 1352 . 16 1 1 A 115 115 VAL CB C 115 31.546 33.441 -1.895 1
1 1355 . 16 1 1 A 115 115 VAL N N 115 124.360 123.355 1.005 1
1 1356 . 16 1 1 A 116 116 LEU H H 116 9.104 8.826 0.278 1
1 1357 . 16 1 1 A 116 116 LEU HA H 116 5.002 4.900 0.102 1
1 1367 . 16 1 1 A 116 116 LEU C C 116 174.923 175.532 -0.609 1
1 1368 . 16 1 1 A 116 116 LEU CA C 116 53.123 53.459 -0.336 1
1 1369 . 16 1 1 A 116 116 LEU CB C 116 45.379 45.935 -0.556 1
1 1373 . 16 1 1 A 116 116 LEU N N 116 128.814 129.965 -1.151 1
1 1374 . 16 1 1 A 117 117 LEU H H 117 9.009 7.988 1.021 1
1 1375 . 16 1 1 A 117 117 LEU HA H 117 5.601 5.276 0.325 1
1 1385 . 16 1 1 A 117 117 LEU C C 117 176.574 175.045 1.529 1
1 1386 . 16 1 1 A 117 117 LEU CA C 117 52.750 52.793 -0.043 1
1 1387 . 16 1 1 A 117 117 LEU CB C 117 44.693 45.042 -0.349 1
1 1391 . 16 1 1 A 117 117 LEU N N 117 121.391 116.701 4.690 1
1 1392 . 16 1 1 A 118 118 PHE H H 118 9.375 8.952 0.423 1
1 1393 . 16 1 1 A 118 118 PHE HA H 118 6.155 5.148 1.007 1
1 1401 . 16 1 1 A 118 118 PHE C C 118 176.518 175.927 0.591 1
1 1402 . 16 1 1 A 118 118 PHE CA C 118 55.411 56.105 -0.694 1
1 1403 . 16 1 1 A 118 118 PHE CB C 118 42.385 42.439 -0.054 1
1 1404 . 16 1 1 A 118 118 PHE N N 118 117.531 119.898 -2.367 1
1 1405 . 16 1 1 A 119 119 GLU H H 119 8.905 9.625 -0.720 1
1 1406 . 16 1 1 A 119 119 GLU HA H 119 5.604 4.557 1.047 1
1 1411 . 16 1 1 A 119 119 GLU C C 119 175.947 176.328 -0.381 1
1 1412 . 16 1 1 A 119 119 GLU CA C 119 60.489 57.033 3.456 1
1 1413 . 16 1 1 A 119 119 GLU CB C 119 31.189 30.213 0.976 1
1 1415 . 16 1 1 A 119 119 GLU N N 119 122.876 122.601 0.275 1
1 1416 . 16 1 1 A 120 120 ILE H H 120 8.912 8.920 -0.008 1
1 1417 . 16 1 1 A 120 120 ILE HA H 120 4.965 4.671 0.294 1
1 1427 . 16 1 1 A 120 120 ILE C C 120 173.341 174.249 -0.908 1
1 1428 . 16 1 1 A 120 120 ILE CA C 120 60.568 60.265 0.303 1
1 1429 . 16 1 1 A 120 120 ILE CB C 120 41.927 38.713 3.214 1
1 1433 . 16 1 1 A 120 120 ILE N N 120 123.000 126.593 -3.593 1
1 1434 . 16 1 1 A 121 121 GLU H H 121 9.074 8.797 0.277 1
1 1435 . 16 1 1 A 121 121 GLU HA H 121 5.445 5.069 0.376 1
1 1440 . 16 1 1 A 121 121 GLU C C 121 175.254 174.695 0.559 1
1 1441 . 16 1 1 A 121 121 GLU CA C 121 53.941 54.636 -0.695 1
1 1442 . 16 1 1 A 121 121 GLU CB C 121 33.897 32.565 1.332 1
1 1444 . 16 1 1 A 121 121 GLU N N 121 128.221 129.802 -1.581 1
1 1445 . 16 1 1 A 122 122 LEU H H 122 8.112 8.731 -0.619 1
1 1446 . 16 1 1 A 122 122 LEU HA H 122 4.680 4.507 0.173 1
1 1456 . 16 1 1 A 122 122 LEU C C 122 174.472 177.001 -2.529 1
1 1457 . 16 1 1 A 122 122 LEU CA C 122 54.403 54.295 0.108 1
1 1458 . 16 1 1 A 122 122 LEU CB C 122 40.796 41.856 -1.060 1
1 1462 . 16 1 1 A 122 122 LEU N N 122 127.033 128.373 -1.340 1
1 1463 . 16 1 1 A 123 123 LEU H H 123 8.704 8.593 0.111 1
1 1464 . 16 1 1 A 123 123 LEU HA H 123 4.385 4.555 -0.170 1
1 1474 . 16 1 1 A 123 123 LEU C C 123 177.614 177.125 0.489 1
1 1475 . 16 1 1 A 123 123 LEU CA C 123 57.095 54.988 2.107 1
1 1476 . 16 1 1 A 123 123 LEU CB C 123 42.226 42.846 -0.620 1
1 1480 . 16 1 1 A 123 123 LEU N N 123 128.814 123.285 5.529 1
1 1481 . 16 1 1 A 124 124 SER H H 124 7.602 7.419 0.183 1
1 1482 . 16 1 1 A 124 124 SER HA H 124 4.161 5.181 -1.020 1
1 1485 . 16 1 1 A 124 124 SER C C 124 171.375 172.927 -1.552 1
1 1486 . 16 1 1 A 124 124 SER CA C 124 57.545 57.715 -0.170 1
1 1487 . 16 1 1 A 124 124 SER CB C 124 63.359 66.975 -3.616 1
1 1488 . 16 1 1 A 124 124 SER N N 124 105.653 114.744 -9.091 1
1 1489 . 16 1 1 A 125 125 PHE H H 125 7.818 8.971 -1.153 1
1 1490 . 16 1 1 A 125 125 PHE HA H 125 5.451 5.199 0.252 1
1 1498 . 16 1 1 A 125 125 PHE C C 125 173.154 172.917 0.237 1
1 1499 . 16 1 1 A 125 125 PHE CA C 125 56.463 56.318 0.145 1
1 1500 . 16 1 1 A 125 125 PHE CB C 125 42.301 40.876 1.425 1
1 1501 . 16 1 1 A 125 125 PHE N N 125 113.373 120.222 -6.849 1
1 1502 . 16 1 1 A 126 126 ARG H H 126 8.934 8.536 0.398 1
1 1503 . 16 1 1 A 126 126 ARG HA H 126 4.693 4.803 -0.110 1
1 1510 . 16 1 1 A 126 126 ARG C C 126 174.013 174.214 -0.201 1
1 1511 . 16 1 1 A 126 126 ARG CA C 126 54.654 54.079 0.575 1
1 1512 . 16 1 1 A 126 126 ARG CB C 126 33.064 33.902 -0.838 1
1 1515 . 16 1 1 A 126 126 ARG N N 126 116.046 118.697 -2.651 1
1 1516 . 16 1 1 A 127 127 GLU H H 127 8.665 8.435 0.230 1
1 1517 . 16 1 1 A 127 127 GLU HA H 127 4.436 4.859 -0.423 1
1 1522 . 16 1 1 A 127 127 GLU C C 127 176.050 175.416 0.634 1
1 1523 . 16 1 1 A 127 127 GLU CA C 127 55.552 55.779 -0.227 1
1 1524 . 16 1 1 A 127 127 GLU CB C 127 30.600 30.556 0.044 1
1 1 . 17 1 1 A 2 2 THR HA H 2 4.479 4.459 0.020 1
1 6 . 17 1 1 A 2 2 THR C C 2 174.348 174.326 0.022 1
1 7 . 17 1 1 A 2 2 THR CA C 2 61.838 61.526 0.312 1
1 8 . 17 1 1 A 2 2 THR CB C 2 69.919 68.960 0.959 1
1 10 . 17 1 1 A 3 3 THR H H 3 8.289 8.942 -0.653 1
1 11 . 17 1 1 A 3 3 THR HA H 3 4.282 4.547 -0.265 1
1 16 . 17 1 1 A 3 3 THR C C 3 174.404 173.834 0.570 1
1 17 . 17 1 1 A 3 3 THR CA C 3 62.140 62.291 -0.151 1
1 18 . 17 1 1 A 3 3 THR CB C 3 69.658 69.298 0.360 1
1 20 . 17 1 1 A 3 3 THR N N 3 116.640 122.106 -5.466 1
1 21 . 17 1 1 A 4 4 GLU H H 4 8.567 8.712 -0.145 1
1 22 . 17 1 1 A 4 4 GLU HA H 4 4.156 4.432 -0.276 1
1 27 . 17 1 1 A 4 4 GLU C C 4 176.216 175.585 0.631 1
1 28 . 17 1 1 A 4 4 GLU CA C 4 56.929 55.761 1.168 1
1 29 . 17 1 1 A 4 4 GLU CB C 4 29.821 28.274 1.547 1
1 31 . 17 1 1 A 4 4 GLU N N 4 123.469 127.282 -3.813 1
1 32 . 17 1 1 A 5 5 GLN H H 5 8.222 8.409 -0.187 1
1 33 . 17 1 1 A 5 5 GLN HA H 5 4.167 4.341 -0.174 1
1 40 . 17 1 1 A 5 5 GLN C C 5 175.216 174.775 0.441 1
1 41 . 17 1 1 A 5 5 GLN CA C 5 55.674 56.232 -0.558 1
1 42 . 17 1 1 A 5 5 GLN CB C 5 29.553 29.168 0.385 1
1 45 . 17 1 1 A 5 5 GLN N N 5 120.797 124.421 -3.624 1
1 47 . 17 1 1 A 6 6 GLU H H 6 8.171 8.592 -0.421 1
1 48 . 17 1 1 A 6 6 GLU HA H 6 4.080 4.098 -0.018 1
1 53 . 17 1 1 A 6 6 GLU C C 6 175.870 175.445 0.425 1
1 54 . 17 1 1 A 6 6 GLU CA C 6 56.400 55.212 1.188 1
1 55 . 17 1 1 A 6 6 GLU CB C 6 30.335 28.186 2.149 1
1 57 . 17 1 1 A 6 6 GLU N N 6 122.100 126.965 -4.865 1
1 58 . 17 1 1 A 7 7 PHE H H 7 8.051 7.310 0.741 1
1 59 . 17 1 1 A 7 7 PHE HA H 7 4.710 4.926 -0.216 1
1 67 . 17 1 1 A 7 7 PHE C C 7 175.461 174.238 1.223 1
1 68 . 17 1 1 A 7 7 PHE CA C 7 56.825 55.904 0.921 1
1 69 . 17 1 1 A 7 7 PHE CB C 7 39.812 40.832 -1.020 1
1 70 . 17 1 1 A 7 7 PHE N N 7 120.500 121.319 -0.819 1
1 71 . 17 1 1 A 8 8 GLU H H 8 8.626 8.894 -0.268 1
1 72 . 17 1 1 A 8 8 GLU HA H 8 4.193 5.150 -0.957 1
1 77 . 17 1 1 A 8 8 GLU C C 8 176.141 175.134 1.007 1
1 78 . 17 1 1 A 8 8 GLU CA C 8 56.932 54.418 2.514 1
1 79 . 17 1 1 A 8 8 GLU CB C 8 30.794 33.362 -2.568 1
1 81 . 17 1 1 A 8 8 GLU N N 8 123.469 120.245 3.224 1
1 82 . 17 1 1 A 9 9 LYS H H 9 8.396 8.790 -0.394 1
1 83 . 17 1 1 A 9 9 LYS HA H 9 5.100 5.037 0.063 1
1 92 . 17 1 1 A 9 9 LYS C C 9 176.168 175.534 0.634 1
1 93 . 17 1 1 A 9 9 LYS CA C 9 55.428 54.829 0.599 1
1 94 . 17 1 1 A 9 9 LYS CB C 9 34.214 34.846 -0.632 1
1 98 . 17 1 1 A 9 9 LYS N N 9 124.954 123.990 0.964 1
1 99 . 17 1 1 A 10 10 VAL H H 10 9.445 8.524 0.921 1
1 100 . 17 1 1 A 10 10 VAL HA H 10 4.278 4.492 -0.214 1
1 108 . 17 1 1 A 10 10 VAL C C 10 174.967 175.146 -0.179 1
1 109 . 17 1 1 A 10 10 VAL CA C 10 60.951 61.489 -0.538 1
1 110 . 17 1 1 A 10 10 VAL CB C 10 34.681 32.461 2.220 1
1 113 . 17 1 1 A 10 10 VAL N N 10 124.360 122.816 1.544 1
1 114 . 17 1 1 A 11 11 GLU H H 11 9.021 8.861 0.160 1
1 115 . 17 1 1 A 11 11 GLU HA H 11 4.369 4.511 -0.142 1
1 120 . 17 1 1 A 11 11 GLU C C 11 174.797 176.404 -1.607 1
1 121 . 17 1 1 A 11 11 GLU CA C 11 56.728 56.202 0.526 1
1 122 . 17 1 1 A 11 11 GLU CB C 11 28.655 29.018 -0.363 1
1 124 . 17 1 1 A 11 11 GLU N N 11 127.924 127.884 0.040 1
1 125 . 17 1 1 A 12 12 LEU H H 12 8.396 8.753 -0.357 1
1 126 . 17 1 1 A 12 12 LEU HA H 12 4.311 3.916 0.395 1
1 136 . 17 1 1 A 12 12 LEU C C 12 176.600 175.366 1.234 1
1 137 . 17 1 1 A 12 12 LEU CA C 12 55.292 55.581 -0.289 1
1 138 . 17 1 1 A 12 12 LEU CB C 12 42.624 40.769 1.855 1
1 142 . 17 1 1 A 12 12 LEU N N 12 124.954 122.196 2.758 1
1 143 . 17 1 1 A 13 13 THR H H 13 7.328 8.080 -0.752 1
1 144 . 17 1 1 A 13 13 THR HA H 13 4.530 4.533 -0.003 1
1 149 . 17 1 1 A 13 13 THR C C 13 175.180 175.670 -0.490 1
1 150 . 17 1 1 A 13 13 THR CA C 13 59.603 60.421 -0.818 1
1 151 . 17 1 1 A 13 13 THR CB C 13 70.742 70.768 -0.026 1
1 153 . 17 1 1 A 13 13 THR N N 13 106.841 113.109 -6.268 1
1 154 . 17 1 1 A 14 14 ALA H H 14 8.689 8.782 -0.093 1
1 155 . 17 1 1 A 14 14 ALA HA H 14 4.247 4.116 0.131 1
1 159 . 17 1 1 A 14 14 ALA C C 14 177.522 177.460 0.062 1
1 160 . 17 1 1 A 14 14 ALA CA C 14 53.875 53.543 0.332 1
1 161 . 17 1 1 A 14 14 ALA CB C 14 17.920 18.767 -0.847 1
1 162 . 17 1 1 A 14 14 ALA N N 14 123.733 127.051 -3.318 1
1 163 . 17 1 1 A 15 15 ASP H H 15 7.516 7.809 -0.293 1
1 164 . 17 1 1 A 15 15 ASP HA H 15 4.518 4.640 -0.122 1
1 167 . 17 1 1 A 15 15 ASP C C 15 177.402 176.282 1.120 1
1 168 . 17 1 1 A 15 15 ASP CA C 15 52.635 54.299 -1.664 1
1 169 . 17 1 1 A 15 15 ASP CB C 15 40.912 41.116 -0.204 1
1 170 . 17 1 1 A 15 15 ASP N N 15 113.967 116.657 -2.690 1
1 171 . 17 1 1 A 16 16 GLY H H 16 7.986 7.505 0.481 1
1 172 . 17 1 1 A 16 16 GLY HA2 H 16 4.080 3.970 0.110 1
1 173 . 17 1 1 A 16 16 GLY HA3 H 16 3.529 3.987 -0.458 1
1 174 . 17 1 1 A 16 16 GLY C C 16 175.233 175.301 -0.068 1
1 175 . 17 1 1 A 16 16 GLY CA C 16 45.798 44.959 0.839 1
1 176 . 17 1 1 A 16 16 GLY N N 16 108.919 105.702 3.217 1
1 177 . 17 1 1 A 17 17 GLY H H 17 8.681 8.478 0.203 1
1 178 . 17 1 1 A 17 17 GLY HA2 H 17 4.513 3.935 0.578 1
1 179 . 17 1 1 A 17 17 GLY HA3 H 17 4.513 3.938 0.575 1
1 180 . 17 1 1 A 17 17 GLY C C 17 172.684 174.051 -1.367 1
1 181 . 17 1 1 A 17 17 GLY CA C 17 46.672 46.812 -0.140 1
1 182 . 17 1 1 A 17 17 GLY N N 17 108.663 107.916 0.747 1
1 183 . 17 1 1 A 18 18 VAL H H 18 6.903 7.485 -0.582 1
1 184 . 17 1 1 A 18 18 VAL HA H 18 4.855 4.601 0.254 1
1 192 . 17 1 1 A 18 18 VAL C C 18 174.737 174.663 0.074 1
1 193 . 17 1 1 A 18 18 VAL CA C 18 62.035 60.278 1.757 1
1 194 . 17 1 1 A 18 18 VAL CB C 18 33.315 35.367 -2.052 1
1 197 . 17 1 1 A 18 18 VAL N N 18 117.234 118.468 -1.234 1
1 198 . 17 1 1 A 19 19 ILE H H 19 8.243 8.558 -0.315 1
1 199 . 17 1 1 A 19 19 ILE HA H 19 4.665 4.596 0.069 1
1 209 . 17 1 1 A 19 19 ILE C C 19 174.360 175.641 -1.281 1
1 210 . 17 1 1 A 19 19 ILE CA C 19 60.736 60.569 0.167 1
1 211 . 17 1 1 A 19 19 ILE CB C 19 41.856 37.165 4.691 1
1 215 . 17 1 1 A 19 19 ILE N N 19 126.439 126.886 -0.447 1
1 216 . 17 1 1 A 20 20 LYS H H 20 9.345 8.843 0.502 1
1 217 . 17 1 1 A 20 20 LYS HA H 20 5.296 5.054 0.242 1
1 226 . 17 1 1 A 20 20 LYS C C 20 173.618 174.995 -1.377 1
1 227 . 17 1 1 A 20 20 LYS CA C 20 54.842 54.394 0.448 1
1 228 . 17 1 1 A 20 20 LYS CB C 20 36.261 36.113 0.148 1
1 232 . 17 1 1 A 20 20 LYS N N 20 129.408 124.660 4.748 1
1 233 . 17 1 1 A 21 21 THR H H 21 9.597 9.164 0.433 1
1 234 . 17 1 1 A 21 21 THR HA H 21 4.923 4.715 0.208 1
1 239 . 17 1 1 A 21 21 THR C C 21 174.648 173.892 0.756 1
1 240 . 17 1 1 A 21 21 THR CA C 21 61.703 61.917 -0.214 1
1 241 . 17 1 1 A 21 21 THR CB C 21 70.230 69.835 0.395 1
1 243 . 17 1 1 A 21 21 THR N N 21 123.469 116.748 6.721 1
1 244 . 17 1 1 A 22 22 ILE H H 22 9.248 8.159 1.089 1
1 245 . 17 1 1 A 22 22 ILE HA H 22 3.637 4.250 -0.613 1
1 255 . 17 1 1 A 22 22 ILE C C 22 174.348 174.861 -0.513 1
1 256 . 17 1 1 A 22 22 ILE CA C 22 64.258 61.567 2.691 1
1 257 . 17 1 1 A 22 22 ILE CB C 22 37.551 37.904 -0.353 1
1 261 . 17 1 1 A 22 22 ILE N N 22 128.517 127.510 1.007 1
1 262 . 17 1 1 A 23 23 LEU H H 23 8.498 8.946 -0.448 1
1 263 . 17 1 1 A 23 23 LEU HA H 23 4.180 4.331 -0.151 1
1 273 . 17 1 1 A 23 23 LEU C C 23 177.521 176.991 0.530 1
1 274 . 17 1 1 A 23 23 LEU CA C 23 55.460 56.553 -1.093 1
1 275 . 17 1 1 A 23 23 LEU CB C 23 42.239 42.351 -0.112 1
1 279 . 17 1 1 A 23 23 LEU N N 23 128.517 130.929 -2.412 1
1 280 . 17 1 1 A 24 24 LYS H H 24 8.020 7.975 0.045 1
1 281 . 17 1 1 A 24 24 LYS HA H 24 4.392 4.940 -0.548 1
1 290 . 17 1 1 A 24 24 LYS C C 24 174.465 174.602 -0.137 1
1 291 . 17 1 1 A 24 24 LYS CA C 24 55.848 54.793 1.055 1
1 292 . 17 1 1 A 24 24 LYS CB C 24 35.692 35.699 -0.007 1
1 296 . 17 1 1 A 24 24 LYS N N 24 120.797 117.838 2.959 1
1 297 . 17 1 1 A 25 25 LYS H H 25 8.657 9.070 -0.413 1
1 298 . 17 1 1 A 25 25 LYS HA H 25 4.178 5.026 -0.848 1
1 307 . 17 1 1 A 25 25 LYS C C 25 177.616 175.961 1.655 1
1 308 . 17 1 1 A 25 25 LYS CA C 25 57.218 55.240 1.978 1
1 309 . 17 1 1 A 25 25 LYS CB C 25 32.846 34.474 -1.628 1
1 313 . 17 1 1 A 25 25 LYS N N 25 126.439 123.881 2.558 1
1 314 . 17 1 1 A 26 26 GLY H H 26 9.728 9.278 0.450 1
1 315 . 17 1 1 A 26 26 GLY HA2 H 26 3.408 4.116 -0.708 1
1 316 . 17 1 1 A 26 26 GLY HA3 H 26 4.120 4.120 0.000 1
1 317 . 17 1 1 A 26 26 GLY C C 26 173.278 174.436 -1.158 1
1 318 . 17 1 1 A 26 26 GLY CA C 26 43.709 44.724 -1.015 1
1 319 . 17 1 1 A 26 26 GLY N N 26 110.404 109.259 1.145 1
1 320 . 17 1 1 A 27 27 ASP H H 27 8.550 8.519 0.031 1
1 321 . 17 1 1 A 27 27 ASP HA H 27 4.401 4.431 -0.030 1
1 324 . 17 1 1 A 27 27 ASP C C 27 175.993 176.557 -0.564 1
1 325 . 17 1 1 A 27 27 ASP CA C 27 55.105 56.655 -1.550 1
1 326 . 17 1 1 A 27 27 ASP CB C 27 41.688 41.274 0.414 1
1 327 . 17 1 1 A 27 27 ASP N N 27 121.391 119.703 1.688 1
1 328 . 17 1 1 A 28 28 GLU H H 28 8.419 7.913 0.506 1
1 329 . 17 1 1 A 28 28 GLU HA H 28 4.063 4.727 -0.664 1
1 334 . 17 1 1 A 28 28 GLU C C 28 176.146 175.766 0.380 1
1 335 . 17 1 1 A 28 28 GLU CA C 28 57.076 54.865 2.211 1
1 336 . 17 1 1 A 28 28 GLU CB C 28 30.774 33.048 -2.274 1
1 338 . 17 1 1 A 28 28 GLU N N 28 120.203 113.435 6.768 1
1 339 . 17 1 1 A 29 29 GLY H H 29 8.364 8.423 -0.059 1
1 340 . 17 1 1 A 29 29 GLY HA2 H 29 4.758 4.331 0.427 1
1 341 . 17 1 1 A 29 29 GLY HA3 H 29 4.584 4.344 0.240 1
1 342 . 17 1 1 A 29 29 GLY C C 29 175.976 175.089 0.887 1
1 343 . 17 1 1 A 29 29 GLY CA C 29 44.686 45.706 -1.020 1
1 344 . 17 1 1 A 29 29 GLY N N 29 110.404 107.229 3.175 1
1 345 . 17 1 1 A 30 30 GLU H H 30 8.867 8.740 0.127 1
1 346 . 17 1 1 A 30 30 GLU HA H 30 3.749 4.011 -0.262 1
1 351 . 17 1 1 A 30 30 GLU C C 30 177.872 177.526 0.346 1
1 352 . 17 1 1 A 30 30 GLU CA C 30 59.045 59.036 0.009 1
1 353 . 17 1 1 A 30 30 GLU CB C 30 29.030 29.612 -0.582 1
1 355 . 17 1 1 A 30 30 GLU N N 30 125.251 120.579 4.672 1
1 356 . 17 1 1 A 31 31 GLU H H 31 9.842 7.904 1.938 1
1 357 . 17 1 1 A 31 31 GLU HA H 31 4.312 4.569 -0.257 1
1 362 . 17 1 1 A 31 31 GLU C C 31 176.330 175.048 1.282 1
1 363 . 17 1 1 A 31 31 GLU CA C 31 57.437 55.727 1.710 1
1 364 . 17 1 1 A 31 31 GLU CB C 31 28.040 29.932 -1.892 1
1 366 . 17 1 1 A 31 31 GLU N N 31 118.421 116.244 2.177 1
1 367 . 17 1 1 A 32 32 ASN H H 32 7.731 7.878 -0.147 1
1 368 . 17 1 1 A 32 32 ASN HA H 32 5.127 5.311 -0.184 1
1 373 . 17 1 1 A 32 32 ASN C C 32 172.750 174.059 -1.309 1
1 374 . 17 1 1 A 32 32 ASN CA C 32 54.111 52.466 1.645 1
1 375 . 17 1 1 A 32 32 ASN CB C 32 40.161 39.913 0.248 1
1 376 . 17 1 1 A 32 32 ASN N N 32 116.937 117.674 -0.737 1
1 378 . 17 1 1 A 33 33 ILE H H 33 7.105 8.369 -1.264 1
1 379 . 17 1 1 A 33 33 ILE HA H 33 4.793 4.712 0.081 1
1 389 . 17 1 1 A 33 33 ILE CA C 33 57.895 57.544 0.351 1
1 390 . 17 1 1 A 33 33 ILE CB C 33 40.609 41.670 -1.061 1
1 394 . 17 1 1 A 33 33 ILE N N 33 121.985 125.543 -3.558 1
1 395 . 17 1 1 A 34 34 PRO HA H 34 4.065 5.061 -0.996 1
1 402 . 17 1 1 A 34 34 PRO C C 34 173.754 175.908 -2.154 1
1 403 . 17 1 1 A 34 34 PRO CA C 34 61.962 62.228 -0.266 1
1 404 . 17 1 1 A 34 34 PRO CB C 34 31.877 31.427 0.450 1
1 407 . 17 1 1 A 35 35 LYS H H 35 7.101 8.701 -1.600 1
1 408 . 17 1 1 A 35 35 LYS HA H 35 4.377 4.842 -0.465 1
1 417 . 17 1 1 A 35 35 LYS C C 35 175.712 175.754 -0.042 1
1 418 . 17 1 1 A 35 35 LYS CA C 35 53.404 54.665 -1.261 1
1 419 . 17 1 1 A 35 35 LYS CB C 35 35.229 35.604 -0.375 1
1 423 . 17 1 1 A 35 35 LYS N N 35 116.046 123.073 -7.027 1
1 424 . 17 1 1 A 36 36 LYS H H 36 8.144 8.617 -0.473 1
1 425 . 17 1 1 A 36 36 LYS HA H 36 3.515 3.908 -0.393 1
1 434 . 17 1 1 A 36 36 LYS C C 36 176.774 177.396 -0.622 1
1 435 . 17 1 1 A 36 36 LYS CA C 36 58.608 58.256 0.352 1
1 436 . 17 1 1 A 36 36 LYS CB C 36 32.089 32.075 0.014 1
1 440 . 17 1 1 A 36 36 LYS N N 36 120.797 123.899 -3.102 1
1 441 . 17 1 1 A 37 37 GLY H H 37 9.113 9.072 0.041 1
1 442 . 17 1 1 A 37 37 GLY HA2 H 37 3.494 4.074 -0.580 1
1 443 . 17 1 1 A 37 37 GLY HA3 H 37 4.330 4.118 0.212 1
1 444 . 17 1 1 A 37 37 GLY C C 37 175.329 174.372 0.957 1
1 445 . 17 1 1 A 37 37 GLY CA C 37 44.853 45.127 -0.274 1
1 446 . 17 1 1 A 37 37 GLY N N 37 113.967 114.950 -0.983 1
1 447 . 17 1 1 A 38 38 ASN H H 38 8.447 8.053 0.394 1
1 448 . 17 1 1 A 38 38 ASN HA H 38 4.663 4.891 -0.228 1
1 453 . 17 1 1 A 38 38 ASN C C 38 174.878 174.760 0.118 1
1 454 . 17 1 1 A 38 38 ASN CA C 38 53.557 53.253 0.304 1
1 455 . 17 1 1 A 38 38 ASN CB C 38 39.155 39.677 -0.522 1
1 457 . 17 1 1 A 38 38 ASN N N 38 117.828 119.974 -2.146 1
1 459 . 17 1 1 A 39 39 GLU H H 39 8.331 8.706 -0.375 1
1 460 . 17 1 1 A 39 39 GLU HA H 39 4.254 5.090 -0.836 1
1 465 . 17 1 1 A 39 39 GLU C C 39 175.656 176.351 -0.695 1
1 466 . 17 1 1 A 39 39 GLU CA C 39 55.804 56.228 -0.424 1
1 467 . 17 1 1 A 39 39 GLU CB C 39 31.464 30.125 1.339 1
1 469 . 17 1 1 A 39 39 GLU N N 39 121.094 123.320 -2.226 1
1 470 . 17 1 1 A 40 40 VAL H H 40 9.138 8.484 0.654 1
1 471 . 17 1 1 A 40 40 VAL HA H 40 4.699 5.014 -0.315 1
1 479 . 17 1 1 A 40 40 VAL C C 40 173.240 174.416 -1.176 1
1 480 . 17 1 1 A 40 40 VAL CA C 40 59.559 60.224 -0.665 1
1 481 . 17 1 1 A 40 40 VAL CB C 40 32.896 34.107 -1.211 1
1 484 . 17 1 1 A 40 40 VAL N N 40 125.845 121.654 4.191 1
1 485 . 17 1 1 A 41 41 THR H H 41 8.328 8.656 -0.328 1
1 486 . 17 1 1 A 41 41 THR HA H 41 4.982 4.945 0.037 1
1 491 . 17 1 1 A 41 41 THR C C 41 174.455 173.744 0.711 1
1 492 . 17 1 1 A 41 41 THR CA C 41 61.964 61.395 0.569 1
1 493 . 17 1 1 A 41 41 THR CB C 41 69.623 70.657 -1.034 1
1 495 . 17 1 1 A 41 41 THR N N 41 117.531 116.839 0.692 1
1 496 . 17 1 1 A 42 42 VAL H H 42 9.581 8.668 0.913 1
1 497 . 17 1 1 A 42 42 VAL HA H 42 5.669 5.233 0.436 1
1 505 . 17 1 1 A 42 42 VAL C C 42 174.919 173.971 0.948 1
1 506 . 17 1 1 A 42 42 VAL CA C 42 57.930 58.447 -0.517 1
1 507 . 17 1 1 A 42 42 VAL CB C 42 35.321 34.938 0.383 1
1 510 . 17 1 1 A 42 42 VAL N N 42 117.828 119.253 -1.425 1
1 511 . 17 1 1 A 43 43 HIS H H 43 8.333 8.671 -0.338 1
1 512 . 17 1 1 A 43 43 HIS HA H 43 5.407 5.298 0.109 1
1 515 . 17 1 1 A 43 43 HIS C C 43 176.136 174.116 2.020 1
1 516 . 17 1 1 A 43 43 HIS CA C 43 54.147 54.767 -0.620 1
1 517 . 17 1 1 A 43 43 HIS CB C 43 35.339 32.552 2.787 1
1 518 . 17 1 1 A 43 43 HIS N N 43 119.906 121.265 -1.359 1
1 519 . 17 1 1 A 44 44 TYR H H 44 9.622 8.885 0.737 1
1 520 . 17 1 1 A 44 44 TYR HA H 44 6.247 6.408 -0.161 1
1 527 . 17 1 1 A 44 44 TYR C C 44 172.857 173.822 -0.965 1
1 528 . 17 1 1 A 44 44 TYR CA C 44 56.304 55.739 0.565 1
1 529 . 17 1 1 A 44 44 TYR CB C 44 43.537 42.803 0.734 1
1 530 . 17 1 1 A 44 44 TYR N N 44 117.234 118.618 -1.384 1
1 531 . 17 1 1 A 45 45 VAL H H 45 8.735 8.730 0.005 1
1 532 . 17 1 1 A 45 45 VAL HA H 45 4.520 5.003 -0.483 1
1 540 . 17 1 1 A 45 45 VAL C C 45 175.200 174.775 0.425 1
1 541 . 17 1 1 A 45 45 VAL CA C 45 62.212 60.459 1.753 1
1 542 . 17 1 1 A 45 45 VAL CB C 45 35.550 34.844 0.706 1
1 545 . 17 1 1 A 45 45 VAL N N 45 118.125 120.240 -2.115 1
1 546 . 17 1 1 A 46 46 GLY H H 46 9.126 8.272 0.854 1
1 547 . 17 1 1 A 46 46 GLY HA2 H 46 4.539 4.166 0.373 1
1 548 . 17 1 1 A 46 46 GLY HA3 H 46 4.506 4.173 0.333 1
1 549 . 17 1 1 A 46 46 GLY C C 46 170.771 171.573 -0.802 1
1 550 . 17 1 1 A 46 46 GLY CA C 46 45.601 46.105 -0.504 1
1 551 . 17 1 1 A 46 46 GLY N N 46 114.858 112.367 2.491 1
1 552 . 17 1 1 A 47 47 LYS H H 47 9.121 8.214 0.907 1
1 553 . 17 1 1 A 47 47 LYS HA H 47 5.176 4.333 0.843 1
1 562 . 17 1 1 A 47 47 LYS C C 47 175.830 173.934 1.896 1
1 563 . 17 1 1 A 47 47 LYS CA C 47 53.937 54.276 -0.339 1
1 564 . 17 1 1 A 47 47 LYS CB C 47 37.021 35.630 1.391 1
1 568 . 17 1 1 A 47 47 LYS N N 47 123.469 118.764 4.705 1
1 569 . 17 1 1 A 48 48 LEU H H 48 8.016 9.206 -1.190 1
1 570 . 17 1 1 A 48 48 LEU HA H 48 4.692 4.560 0.132 1
1 580 . 17 1 1 A 48 48 LEU C C 48 178.031 176.576 1.455 1
1 581 . 17 1 1 A 48 48 LEU CA C 48 54.231 54.464 -0.233 1
1 582 . 17 1 1 A 48 48 LEU CB C 48 41.678 42.039 -0.361 1
1 586 . 17 1 1 A 48 48 LEU N N 48 121.391 122.962 -1.571 1
1 587 . 17 1 1 A 49 49 GLU H H 49 8.085 8.686 -0.601 1
1 588 . 17 1 1 A 49 49 GLU HA H 49 3.835 3.825 0.010 1
1 593 . 17 1 1 A 49 49 GLU C C 49 178.118 177.848 0.270 1
1 594 . 17 1 1 A 49 49 GLU CA C 49 59.974 59.804 0.170 1
1 595 . 17 1 1 A 49 49 GLU CB C 49 30.322 29.193 1.129 1
1 597 . 17 1 1 A 49 49 GLU N N 49 124.954 127.458 -2.504 1
1 598 . 17 1 1 A 50 50 SER H H 50 9.220 8.004 1.216 1
1 599 . 17 1 1 A 50 50 SER HA H 50 4.154 4.246 -0.092 1
1 602 . 17 1 1 A 50 50 SER C C 50 176.751 175.788 0.963 1
1 603 . 17 1 1 A 50 50 SER CA C 50 60.230 60.910 -0.680 1
1 604 . 17 1 1 A 50 50 SER CB C 50 62.229 63.245 -1.016 1
1 605 . 17 1 1 A 50 50 SER N N 50 112.186 114.548 -2.362 1
1 606 . 17 1 1 A 51 51 THR H H 51 6.784 7.677 -0.893 1
1 607 . 17 1 1 A 51 51 THR HA H 51 4.520 4.607 -0.087 1
1 612 . 17 1 1 A 51 51 THR C C 51 176.342 175.131 1.211 1
1 613 . 17 1 1 A 51 51 THR CA C 51 60.760 62.346 -1.586 1
1 614 . 17 1 1 A 51 51 THR CB C 51 71.046 71.612 -0.566 1
1 616 . 17 1 1 A 51 51 THR N N 51 105.653 112.887 -7.234 1
1 617 . 17 1 1 A 52 52 GLY H H 52 8.296 8.722 -0.426 1
1 618 . 17 1 1 A 52 52 GLY HA2 H 52 3.680 3.946 -0.266 1
1 619 . 17 1 1 A 52 52 GLY HA3 H 52 4.096 3.955 0.141 1
1 620 . 17 1 1 A 52 52 GLY C C 52 173.336 174.238 -0.902 1
1 621 . 17 1 1 A 52 52 GLY CA C 52 45.711 45.615 0.096 1
1 622 . 17 1 1 A 52 52 GLY N N 52 112.483 110.062 2.421 1
1 623 . 17 1 1 A 53 53 LYS H H 53 7.479 7.363 0.116 1
1 624 . 17 1 1 A 53 53 LYS HA H 53 4.218 4.513 -0.295 1
1 633 . 17 1 1 A 53 53 LYS C C 53 176.513 175.388 1.125 1
1 634 . 17 1 1 A 53 53 LYS CA C 53 56.217 55.149 1.068 1
1 635 . 17 1 1 A 53 53 LYS CB C 53 33.430 34.188 -0.758 1
1 639 . 17 1 1 A 53 53 LYS N N 53 119.609 119.448 0.161 1
1 640 . 17 1 1 A 54 54 VAL H H 54 8.511 8.385 0.126 1
1 641 . 17 1 1 A 54 54 VAL HA H 54 4.244 4.145 0.099 1
1 649 . 17 1 1 A 54 54 VAL C C 54 176.879 176.417 0.462 1
1 650 . 17 1 1 A 54 54 VAL CA C 54 62.409 62.133 0.276 1
1 651 . 17 1 1 A 54 54 VAL CB C 54 32.697 32.930 -0.233 1
1 654 . 17 1 1 A 54 54 VAL N N 54 126.109 125.554 0.555 1
1 655 . 17 1 1 A 55 55 PHE H H 55 8.325 8.460 -0.135 1
1 656 . 17 1 1 A 55 55 PHE HA H 55 5.036 4.909 0.127 1
1 664 . 17 1 1 A 55 55 PHE C C 55 174.856 174.741 0.115 1
1 665 . 17 1 1 A 55 55 PHE CA C 55 55.758 58.002 -2.244 1
1 666 . 17 1 1 A 55 55 PHE CB C 55 40.399 40.270 0.129 1
1 667 . 17 1 1 A 55 55 PHE N N 55 124.063 125.615 -1.552 1
1 668 . 17 1 1 A 56 56 ASP H H 56 6.884 8.985 -2.101 1
1 669 . 17 1 1 A 56 56 ASP HA H 56 4.801 5.309 -0.508 1
1 672 . 17 1 1 A 56 56 ASP C C 56 173.688 174.155 -0.467 1
1 673 . 17 1 1 A 56 56 ASP CA C 56 54.956 54.087 0.869 1
1 674 . 17 1 1 A 56 56 ASP CB C 56 43.616 41.381 2.235 1
1 675 . 17 1 1 A 56 56 ASP N N 56 120.500 124.386 -3.886 1
1 676 . 17 1 1 A 57 57 SER H H 57 8.038 9.062 -1.024 1
1 677 . 17 1 1 A 57 57 SER HA H 57 4.796 4.865 -0.069 1
1 680 . 17 1 1 A 57 57 SER C C 57 174.997 174.686 0.311 1
1 681 . 17 1 1 A 57 57 SER CA C 57 55.792 55.747 0.045 1
1 682 . 17 1 1 A 57 57 SER CB C 57 64.961 65.306 -0.345 1
1 683 . 17 1 1 A 57 57 SER N N 57 118.421 121.518 -3.097 1
1 684 . 17 1 1 A 58 58 SER H H 58 8.429 9.105 -0.676 1
1 685 . 17 1 1 A 58 58 SER HA H 58 4.080 3.948 0.132 1
1 688 . 17 1 1 A 58 58 SER C C 58 177.399 175.966 1.433 1
1 689 . 17 1 1 A 58 58 SER CA C 58 61.499 62.429 -0.930 1
1 690 . 17 1 1 A 58 58 SER CB C 58 65.069 62.344 2.725 1
1 691 . 17 1 1 A 58 58 SER N N 58 123.766 120.615 3.151 1
1 692 . 17 1 1 A 59 59 PHE H H 59 7.276 7.320 -0.044 1
1 693 . 17 1 1 A 59 59 PHE HA H 59 3.851 4.409 -0.558 1
1 701 . 17 1 1 A 59 59 PHE C C 59 178.929 177.831 1.098 1
1 702 . 17 1 1 A 59 59 PHE CA C 59 61.010 60.526 0.484 1
1 703 . 17 1 1 A 59 59 PHE CB C 59 38.129 39.280 -1.151 1
1 704 . 17 1 1 A 59 59 PHE N N 59 121.845 119.359 2.486 1
1 705 . 17 1 1 A 60 60 ASP H H 60 7.534 8.498 -0.964 1
1 706 . 17 1 1 A 60 60 ASP HA H 60 4.343 4.265 0.078 1
1 709 . 17 1 1 A 60 60 ASP C C 60 177.295 178.507 -1.212 1
1 710 . 17 1 1 A 60 60 ASP CA C 60 56.921 57.479 -0.558 1
1 711 . 17 1 1 A 60 60 ASP CB C 60 40.298 41.178 -0.880 1
1 712 . 17 1 1 A 60 60 ASP N N 60 119.015 121.153 -2.138 1
1 713 . 17 1 1 A 61 61 ARG H H 61 7.224 8.605 -1.381 1
1 714 . 17 1 1 A 61 61 ARG HA H 61 4.378 4.108 0.270 1
1 721 . 17 1 1 A 61 61 ARG C C 61 175.798 178.479 -2.681 1
1 722 . 17 1 1 A 61 61 ARG CA C 61 55.209 58.243 -3.034 1
1 723 . 17 1 1 A 61 61 ARG CB C 61 32.610 29.232 3.378 1
1 726 . 17 1 1 A 61 61 ARG N N 61 115.452 118.073 -2.621 1
1 727 . 17 1 1 A 62 62 ASN H H 62 7.946 7.664 0.282 1
1 728 . 17 1 1 A 62 62 ASN HA H 62 4.392 4.598 -0.206 1
1 733 . 17 1 1 A 62 62 ASN C C 62 173.776 175.083 -1.307 1
1 734 . 17 1 1 A 62 62 ASN CA C 62 54.269 55.658 -1.389 1
1 735 . 17 1 1 A 62 62 ASN CB C 62 38.597 39.397 -0.800 1
1 737 . 17 1 1 A 62 62 ASN N N 62 115.196 118.998 -3.802 1
1 739 . 17 1 1 A 63 63 VAL H H 63 7.278 7.759 -0.481 1
1 740 . 17 1 1 A 63 63 VAL HA H 63 4.628 4.525 0.103 1
1 748 . 17 1 1 A 63 63 VAL CA C 63 62.601 59.285 3.316 1
1 749 . 17 1 1 A 63 63 VAL CB C 63 35.186 34.721 0.465 1
1 752 . 17 1 1 A 63 63 VAL N N 63 115.155 115.658 -0.503 1
1 753 . 17 1 1 A 64 64 PRO HA H 64 4.516 4.472 0.044 1
1 760 . 17 1 1 A 64 64 PRO C C 64 174.254 176.173 -1.919 1
1 761 . 17 1 1 A 64 64 PRO CA C 64 62.601 63.053 -0.452 1
1 762 . 17 1 1 A 64 64 PRO CB C 64 31.977 32.140 -0.163 1
1 765 . 17 1 1 A 65 65 PHE H H 65 9.109 8.458 0.651 1
1 766 . 17 1 1 A 65 65 PHE HA H 65 4.821 4.954 -0.133 1
1 774 . 17 1 1 A 65 65 PHE C C 65 173.320 175.135 -1.815 1
1 775 . 17 1 1 A 65 65 PHE CA C 65 57.292 58.030 -0.738 1
1 776 . 17 1 1 A 65 65 PHE CB C 65 42.894 41.259 1.635 1
1 777 . 17 1 1 A 65 65 PHE N N 65 123.469 123.489 -0.020 1
1 778 . 17 1 1 A 66 66 LYS H H 66 7.474 8.159 -0.685 1
1 779 . 17 1 1 A 66 66 LYS HA H 66 5.378 5.197 0.181 1
1 788 . 17 1 1 A 66 66 LYS C C 66 175.026 175.262 -0.236 1
1 789 . 17 1 1 A 66 66 LYS CA C 66 53.876 54.477 -0.601 1
1 790 . 17 1 1 A 66 66 LYS CB C 66 35.471 34.659 0.812 1
1 794 . 17 1 1 A 66 66 LYS N N 66 125.548 120.712 4.836 1
1 795 . 17 1 1 A 67 67 PHE H H 67 8.114 8.015 0.099 1
1 796 . 17 1 1 A 67 67 PHE HA H 67 4.469 5.615 -1.146 1
1 804 . 17 1 1 A 67 67 PHE C C 67 172.049 172.515 -0.466 1
1 805 . 17 1 1 A 67 67 PHE CA C 67 55.662 54.770 0.892 1
1 806 . 17 1 1 A 67 67 PHE CB C 67 40.087 42.386 -2.299 1
1 807 . 17 1 1 A 67 67 PHE N N 67 115.419 117.117 -1.698 1
1 808 . 17 1 1 A 68 68 HIS H H 68 8.983 9.112 -0.129 1
1 809 . 17 1 1 A 68 68 HIS HA H 68 5.482 4.990 0.492 1
1 812 . 17 1 1 A 68 68 HIS C C 68 174.742 174.722 0.020 1
1 813 . 17 1 1 A 68 68 HIS CA C 68 55.348 55.160 0.188 1
1 814 . 17 1 1 A 68 68 HIS CB C 68 28.470 32.263 -3.793 1
1 815 . 17 1 1 A 68 68 HIS N N 68 118.421 121.643 -3.222 1
1 816 . 17 1 1 A 69 69 LEU H H 69 8.317 8.307 0.010 1
1 817 . 17 1 1 A 69 69 LEU HA H 69 4.016 4.255 -0.239 1
1 827 . 17 1 1 A 69 69 LEU CA C 69 56.060 55.973 0.087 1
1 828 . 17 1 1 A 69 69 LEU CB C 69 42.903 41.963 0.940 1
1 832 . 17 1 1 A 69 69 LEU N N 69 126.736 127.650 -0.914 1
1 833 . 17 1 1 A 70 70 GLU H H 70 9.618 9.169 0.449 1
1 834 . 17 1 1 A 70 70 GLU HA H 70 3.847 3.922 -0.075 1
1 839 . 17 1 1 A 70 70 GLU C C 70 174.818 176.375 -1.557 1
1 840 . 17 1 1 A 70 70 GLU CA C 70 58.625 57.594 1.031 1
1 841 . 17 1 1 A 70 70 GLU CB C 70 27.456 27.948 -0.492 1
1 843 . 17 1 1 A 70 70 GLU N N 70 124.954 122.805 2.149 1
1 844 . 17 1 1 A 71 71 GLN H H 71 8.248 8.005 0.243 1
1 845 . 17 1 1 A 71 71 GLN HA H 71 4.678 4.614 0.064 1
1 852 . 17 1 1 A 71 71 GLN CA C 71 54.218 55.483 -1.265 1
1 853 . 17 1 1 A 71 71 GLN CB C 71 30.422 29.996 0.426 1
1 856 . 17 1 1 A 71 71 GLN N N 71 114.858 120.579 -5.721 1
1 858 . 17 1 1 A 72 72 GLY H H 72 8.362 8.091 0.271 1
1 859 . 17 1 1 A 72 72 GLY HA2 H 72 4.145 4.015 0.130 1
1 860 . 17 1 1 A 72 72 GLY HA3 H 72 4.059 4.042 0.017 1
1 861 . 17 1 1 A 72 72 GLY C C 72 175.783 175.495 0.288 1
1 862 . 17 1 1 A 72 72 GLY CA C 72 46.838 45.598 1.240 1
1 863 . 17 1 1 A 72 72 GLY N N 72 110.404 108.364 2.040 1
1 864 . 17 1 1 A 73 73 GLU H H 73 9.085 8.251 0.834 1
1 865 . 17 1 1 A 73 73 GLU HA H 73 4.187 4.150 0.037 1
1 870 . 17 1 1 A 73 73 GLU C C 73 175.522 176.296 -0.774 1
1 871 . 17 1 1 A 73 73 GLU CA C 73 57.443 56.732 0.711 1
1 872 . 17 1 1 A 73 73 GLU CB C 73 31.378 30.183 1.195 1
1 874 . 17 1 1 A 73 73 GLU N N 73 118.421 118.048 0.373 1
1 875 . 17 1 1 A 74 74 VAL H H 74 6.862 7.421 -0.559 1
1 876 . 17 1 1 A 74 74 VAL HA H 74 4.281 4.301 -0.020 1
1 884 . 17 1 1 A 74 74 VAL C C 74 175.773 175.595 0.178 1
1 885 . 17 1 1 A 74 74 VAL CA C 74 57.468 60.758 -3.290 1
1 886 . 17 1 1 A 74 74 VAL CB C 74 36.344 33.590 2.754 1
1 889 . 17 1 1 A 74 74 VAL N N 74 108.919 114.545 -5.626 1
1 890 . 17 1 1 A 75 75 ILE H H 75 7.462 9.282 -1.820 1
1 891 . 17 1 1 A 75 75 ILE HA H 75 3.844 4.298 -0.454 1
1 901 . 17 1 1 A 75 75 ILE C C 75 177.618 176.919 0.699 1
1 902 . 17 1 1 A 75 75 ILE CA C 75 62.213 62.490 -0.277 1
1 903 . 17 1 1 A 75 75 ILE CB C 75 37.337 38.455 -1.118 1
1 907 . 17 1 1 A 75 75 ILE N N 75 113.373 123.882 -10.509 1
1 908 . 17 1 1 A 76 76 LYS H H 76 9.047 8.039 1.008 1
1 909 . 17 1 1 A 76 76 LYS HA H 76 4.282 4.443 -0.161 1
1 918 . 17 1 1 A 76 76 LYS C C 76 180.009 178.061 1.948 1
1 919 . 17 1 1 A 76 76 LYS CA C 76 59.482 56.913 2.569 1
1 920 . 17 1 1 A 76 76 LYS CB C 76 32.740 34.769 -2.029 1
1 924 . 17 1 1 A 76 76 LYS N N 76 124.954 121.124 3.830 1
1 925 . 17 1 1 A 77 77 GLY H H 77 9.775 7.901 1.874 1
1 926 . 17 1 1 A 77 77 GLY HA2 H 77 3.786 3.273 0.513 1
1 927 . 17 1 1 A 77 77 GLY HA3 H 77 3.618 3.437 0.181 1
1 928 . 17 1 1 A 77 77 GLY C C 77 175.261 176.361 -1.100 1
1 929 . 17 1 1 A 77 77 GLY CA C 77 47.402 47.120 0.282 1
1 930 . 17 1 1 A 77 77 GLY N N 77 101.199 107.977 -6.778 1
1 931 . 17 1 1 A 78 78 TRP H H 78 7.817 7.944 -0.127 1
1 932 . 17 1 1 A 78 78 TRP HA H 78 4.017 4.820 -0.803 1
1 940 . 17 1 1 A 78 78 TRP C C 78 177.610 178.001 -0.391 1
1 941 . 17 1 1 A 78 78 TRP CA C 78 61.524 60.438 1.086 1
1 942 . 17 1 1 A 78 78 TRP CB C 78 28.655 28.980 -0.325 1
1 943 . 17 1 1 A 78 78 TRP N N 78 120.203 122.469 -2.266 1
1 944 . 17 1 1 A 79 79 ASP H H 79 6.967 8.346 -1.379 1
1 945 . 17 1 1 A 79 79 ASP HA H 79 4.738 4.415 0.323 1
1 948 . 17 1 1 A 79 79 ASP C C 79 179.125 178.932 0.193 1
1 949 . 17 1 1 A 79 79 ASP CA C 79 58.492 57.628 0.864 1
1 950 . 17 1 1 A 79 79 ASP CB C 79 41.181 41.807 -0.626 1
1 951 . 17 1 1 A 79 79 ASP N N 79 121.688 120.368 1.320 1
1 952 . 17 1 1 A 80 80 ILE H H 80 8.173 7.546 0.627 1
1 953 . 17 1 1 A 80 80 ILE HA H 80 3.617 3.795 -0.178 1
1 963 . 17 1 1 A 80 80 ILE C C 80 177.849 178.325 -0.476 1
1 964 . 17 1 1 A 80 80 ILE CA C 80 64.758 64.286 0.472 1
1 965 . 17 1 1 A 80 80 ILE CB C 80 39.198 37.025 2.173 1
1 969 . 17 1 1 A 80 80 ILE N N 80 118.125 118.910 -0.785 1
1 970 . 17 1 1 A 81 81 CYS H H 81 7.961 8.054 -0.093 1
1 971 . 17 1 1 A 81 81 CYS HA H 81 4.456 4.202 0.254 1
1 974 . 17 1 1 A 81 81 CYS C C 81 178.812 176.837 1.975 1
1 975 . 17 1 1 A 81 81 CYS CA C 81 63.059 62.190 0.869 1
1 976 . 17 1 1 A 81 81 CYS CB C 81 27.732 27.481 0.251 1
1 977 . 17 1 1 A 81 81 CYS N N 81 116.937 121.493 -4.556 1
1 978 . 17 1 1 A 82 82 VAL H H 82 9.434 8.258 1.176 1
1 979 . 17 1 1 A 82 82 VAL HA H 82 3.476 3.856 -0.380 1
1 987 . 17 1 1 A 82 82 VAL C C 82 176.456 177.375 -0.919 1
1 988 . 17 1 1 A 82 82 VAL CA C 82 66.977 65.069 1.908 1
1 989 . 17 1 1 A 82 82 VAL CB C 82 30.171 31.771 -1.600 1
1 992 . 17 1 1 A 82 82 VAL N N 82 121.688 118.963 2.725 1
1 993 . 17 1 1 A 83 83 SER H H 83 7.541 7.659 -0.118 1
1 994 . 17 1 1 A 83 83 SER HA H 83 3.964 4.440 -0.476 1
1 997 . 17 1 1 A 83 83 SER C C 83 173.661 174.644 -0.983 1
1 998 . 17 1 1 A 83 83 SER CA C 83 61.551 59.557 1.994 1
1 999 . 17 1 1 A 83 83 SER CB C 83 63.239 63.648 -0.409 1
1 1000 . 17 1 1 A 83 83 SER N N 83 111.889 115.520 -3.631 1
1 1001 . 17 1 1 A 84 84 SER H H 84 7.471 8.022 -0.551 1
1 1002 . 17 1 1 A 84 84 SER HA H 84 4.530 4.735 -0.205 1
1 1005 . 17 1 1 A 84 84 SER C C 84 174.314 173.708 0.606 1
1 1006 . 17 1 1 A 84 84 SER CA C 84 58.440 57.251 1.189 1
1 1007 . 17 1 1 A 84 84 SER CB C 84 65.929 64.004 1.925 1
1 1008 . 17 1 1 A 84 84 SER N N 84 114.264 116.880 -2.616 1
1 1009 . 17 1 1 A 85 85 MET H H 85 7.441 7.574 -0.133 1
1 1010 . 17 1 1 A 85 85 MET HA H 85 4.262 5.000 -0.738 1
1 1015 . 17 1 1 A 85 85 MET C C 85 172.768 175.486 -2.718 1
1 1016 . 17 1 1 A 85 85 MET CA C 85 56.502 54.103 2.399 1
1 1017 . 17 1 1 A 85 85 MET CB C 85 36.378 34.880 1.498 1
1 1019 . 17 1 1 A 85 85 MET N N 85 124.657 120.425 4.232 1
1 1020 . 17 1 1 A 86 86 ARG H H 86 7.045 8.610 -1.565 1
1 1021 . 17 1 1 A 86 86 ARG HA H 86 4.879 4.479 0.400 1
1 1028 . 17 1 1 A 86 86 ARG C C 86 177.468 177.994 -0.526 1
1 1029 . 17 1 1 A 86 86 ARG CA C 86 53.395 54.962 -1.567 1
1 1030 . 17 1 1 A 86 86 ARG CB C 86 33.244 31.170 2.074 1
1 1033 . 17 1 1 A 86 86 ARG N N 86 114.264 122.194 -7.930 1
1 1034 . 17 1 1 A 87 87 LYS H H 87 8.818 8.815 0.003 1
1 1035 . 17 1 1 A 87 87 LYS HA H 87 3.554 3.831 -0.277 1
1 1044 . 17 1 1 A 87 87 LYS C C 87 175.382 177.307 -1.925 1
1 1045 . 17 1 1 A 87 87 LYS CA C 87 60.175 58.340 1.835 1
1 1046 . 17 1 1 A 87 87 LYS CB C 87 33.195 32.546 0.649 1
1 1050 . 17 1 1 A 87 87 LYS N N 87 121.391 123.109 -1.718 1
1 1051 . 17 1 1 A 88 88 ASN H H 88 8.943 7.762 1.181 1
1 1052 . 17 1 1 A 88 88 ASN HA H 88 4.291 4.952 -0.661 1
1 1057 . 17 1 1 A 88 88 ASN C C 88 174.124 173.827 0.297 1
1 1058 . 17 1 1 A 88 88 ASN CA C 88 56.703 53.024 3.679 1
1 1059 . 17 1 1 A 88 88 ASN CB C 88 36.677 39.647 -2.970 1
1 1060 . 17 1 1 A 88 88 ASN N N 88 116.640 114.740 1.900 1
1 1062 . 17 1 1 A 89 89 GLU H H 89 8.677 7.647 1.030 1
1 1063 . 17 1 1 A 89 89 GLU HA H 89 4.358 5.067 -0.709 1
1 1068 . 17 1 1 A 89 89 GLU C C 89 174.903 174.536 0.367 1
1 1069 . 17 1 1 A 89 89 GLU CA C 89 56.190 55.053 1.137 1
1 1070 . 17 1 1 A 89 89 GLU CB C 89 33.096 33.181 -0.085 1
1 1072 . 17 1 1 A 89 89 GLU N N 89 122.876 120.940 1.936 1
1 1073 . 17 1 1 A 90 90 LYS H H 90 8.580 8.896 -0.316 1
1 1074 . 17 1 1 A 90 90 LYS HA H 90 5.542 5.360 0.182 1
1 1083 . 17 1 1 A 90 90 LYS C C 90 175.593 174.971 0.622 1
1 1084 . 17 1 1 A 90 90 LYS CA C 90 54.210 55.108 -0.898 1
1 1085 . 17 1 1 A 90 90 LYS CB C 90 36.189 36.021 0.168 1
1 1089 . 17 1 1 A 90 90 LYS N N 90 123.469 126.478 -3.009 1
1 1090 . 17 1 1 A 91 91 CYS H H 91 9.673 8.053 1.620 1
1 1091 . 17 1 1 A 91 91 CYS HA H 91 5.524 5.162 0.362 1
1 1094 . 17 1 1 A 91 91 CYS C C 91 170.527 172.498 -1.971 1
1 1095 . 17 1 1 A 91 91 CYS CA C 91 54.690 57.614 -2.924 1
1 1096 . 17 1 1 A 91 91 CYS CB C 91 32.542 33.033 -0.491 1
1 1097 . 17 1 1 A 91 91 CYS N N 91 122.579 122.807 -0.228 1
1 1098 . 17 1 1 A 92 92 LEU H H 92 8.984 8.589 0.395 1
1 1099 . 17 1 1 A 92 92 LEU HA H 92 5.458 5.269 0.189 1
1 1109 . 17 1 1 A 92 92 LEU C C 92 175.596 174.055 1.541 1
1 1110 . 17 1 1 A 92 92 LEU CA C 92 53.413 53.230 0.183 1
1 1111 . 17 1 1 A 92 92 LEU CB C 92 44.972 45.476 -0.504 1
1 1115 . 17 1 1 A 92 92 LEU N N 92 122.282 123.612 -1.330 1
1 1116 . 17 1 1 A 93 93 VAL H H 93 10.107 9.204 0.903 1
1 1117 . 17 1 1 A 93 93 VAL HA H 93 5.506 4.955 0.551 1
1 1125 . 17 1 1 A 93 93 VAL C C 93 171.051 173.859 -2.808 1
1 1126 . 17 1 1 A 93 93 VAL CA C 93 58.200 59.458 -1.258 1
1 1127 . 17 1 1 A 93 93 VAL CB C 93 35.276 35.243 0.033 1
1 1130 . 17 1 1 A 93 93 VAL N N 93 126.224 124.164 2.060 1
1 1131 . 17 1 1 A 94 94 ARG H H 94 8.949 8.894 0.055 1
1 1132 . 17 1 1 A 94 94 ARG HA H 94 5.133 4.702 0.431 1
1 1139 . 17 1 1 A 94 94 ARG C C 94 175.823 175.133 0.690 1
1 1140 . 17 1 1 A 94 94 ARG CA C 94 56.219 54.838 1.381 1
1 1141 . 17 1 1 A 94 94 ARG CB C 94 32.039 31.251 0.788 1
1 1144 . 17 1 1 A 94 94 ARG N N 94 130.596 126.847 3.749 1
1 1145 . 17 1 1 A 95 95 ILE H H 95 9.655 8.539 1.116 1
1 1146 . 17 1 1 A 95 95 ILE HA H 95 4.899 4.531 0.368 1
1 1156 . 17 1 1 A 95 95 ILE C C 95 175.215 175.434 -0.219 1
1 1157 . 17 1 1 A 95 95 ILE CA C 95 60.582 60.547 0.035 1
1 1158 . 17 1 1 A 95 95 ILE CB C 95 37.359 37.616 -0.257 1
1 1162 . 17 1 1 A 95 95 ILE N N 95 129.905 126.543 3.362 1
1 1163 . 17 1 1 A 96 96 GLU H H 96 9.213 8.728 0.485 1
1 1164 . 17 1 1 A 96 96 GLU HA H 96 4.320 4.096 0.224 1
1 1169 . 17 1 1 A 96 96 GLU C C 96 177.897 177.602 0.295 1
1 1170 . 17 1 1 A 96 96 GLU CA C 96 57.568 56.581 0.987 1
1 1171 . 17 1 1 A 96 96 GLU CB C 96 29.676 31.153 -1.477 1
1 1173 . 17 1 1 A 96 96 GLU N N 96 126.439 128.359 -1.920 1
1 1174 . 17 1 1 A 97 97 SER H H 97 8.693 8.875 -0.182 1
1 1175 . 17 1 1 A 97 97 SER HA H 97 4.370 4.065 0.305 1
1 1178 . 17 1 1 A 97 97 SER C C 97 178.668 175.467 3.201 1
1 1179 . 17 1 1 A 97 97 SER CA C 97 62.800 61.853 0.947 1
1 1180 . 17 1 1 A 97 97 SER CB C 97 64.591 62.526 2.065 1
1 1181 . 17 1 1 A 97 97 SER N N 97 115.749 120.893 -5.144 1
1 1182 . 17 1 1 A 98 98 MET H H 98 8.937 8.214 0.723 1
1 1183 . 17 1 1 A 98 98 MET HA H 98 4.170 4.331 -0.161 1
1 1188 . 17 1 1 A 98 98 MET C C 98 179.250 176.381 2.869 1
1 1189 . 17 1 1 A 98 98 MET CA C 98 58.702 57.070 1.632 1
1 1190 . 17 1 1 A 98 98 MET CB C 98 31.047 32.094 -1.047 1
1 1192 . 17 1 1 A 98 98 MET N N 98 121.985 118.470 3.515 1
1 1193 . 17 1 1 A 99 99 TYR H H 99 7.927 7.857 0.070 1
1 1194 . 17 1 1 A 99 99 TYR HA H 99 4.435 4.634 -0.199 1
1 1201 . 17 1 1 A 99 99 TYR C C 99 173.125 175.726 -2.601 1
1 1202 . 17 1 1 A 99 99 TYR CA C 99 58.064 58.490 -0.426 1
1 1203 . 17 1 1 A 99 99 TYR CB C 99 39.570 38.527 1.043 1
1 1204 . 17 1 1 A 99 99 TYR N N 99 116.640 117.909 -1.269 1
1 1205 . 17 1 1 A 100 100 GLY H H 100 7.802 7.716 0.086 1
1 1206 . 17 1 1 A 100 100 GLY HA2 H 100 3.223 4.171 -0.948 1
1 1207 . 17 1 1 A 100 100 GLY HA3 H 100 4.309 4.174 0.135 1
1 1208 . 17 1 1 A 100 100 GLY C C 100 173.213 174.828 -1.615 1
1 1209 . 17 1 1 A 100 100 GLY CA C 100 45.062 44.336 0.726 1
1 1210 . 17 1 1 A 100 100 GLY N N 100 110.998 108.088 2.910 1
1 1211 . 17 1 1 A 101 101 TYR H H 101 9.407 8.986 0.421 1
1 1212 . 17 1 1 A 101 101 TYR HA H 101 4.443 4.504 -0.061 1
1 1219 . 17 1 1 A 101 101 TYR C C 101 176.014 175.817 0.197 1
1 1220 . 17 1 1 A 101 101 TYR CA C 101 58.944 60.368 -1.424 1
1 1221 . 17 1 1 A 101 101 TYR CB C 101 37.732 40.092 -2.360 1
1 1222 . 17 1 1 A 101 101 TYR N N 101 126.439 119.764 6.675 1
1 1223 . 17 1 1 A 102 102 GLY H H 102 8.231 7.731 0.500 1
1 1224 . 17 1 1 A 102 102 GLY HA2 H 102 4.001 4.149 -0.148 1
1 1225 . 17 1 1 A 102 102 GLY HA3 H 102 3.715 4.165 -0.450 1
1 1226 . 17 1 1 A 102 102 GLY C C 102 175.685 174.294 1.391 1
1 1227 . 17 1 1 A 102 102 GLY CA C 102 46.447 44.021 2.426 1
1 1228 . 17 1 1 A 102 102 GLY N N 102 107.138 106.693 0.445 1
1 1229 . 17 1 1 A 103 103 ASP H H 103 8.983 8.974 0.009 1
1 1230 . 17 1 1 A 103 103 ASP HA H 103 4.277 4.601 -0.324 1
1 1233 . 17 1 1 A 103 103 ASP C C 103 176.677 177.821 -1.144 1
1 1234 . 17 1 1 A 103 103 ASP CA C 103 56.352 55.711 0.641 1
1 1235 . 17 1 1 A 103 103 ASP CB C 103 40.640 41.207 -0.567 1
1 1236 . 17 1 1 A 103 103 ASP N N 103 124.954 120.990 3.964 1
1 1237 . 17 1 1 A 104 104 GLU H H 104 8.552 8.078 0.474 1
1 1238 . 17 1 1 A 104 104 GLU HA H 104 4.139 4.171 -0.032 1
1 1243 . 17 1 1 A 104 104 GLU C C 104 179.142 176.921 2.221 1
1 1244 . 17 1 1 A 104 104 GLU CA C 104 58.100 58.655 -0.555 1
1 1245 . 17 1 1 A 104 104 GLU CB C 104 30.076 29.888 0.188 1
1 1247 . 17 1 1 A 104 104 GLU N N 104 117.531 118.791 -1.260 1
1 1248 . 17 1 1 A 105 105 GLY H H 105 7.188 7.850 -0.662 1
1 1249 . 17 1 1 A 105 105 GLY HA2 H 105 3.137 4.077 -0.940 1
1 1250 . 17 1 1 A 105 105 GLY HA3 H 105 4.012 4.099 -0.087 1
1 1251 . 17 1 1 A 105 105 GLY C C 105 171.730 173.459 -1.729 1
1 1252 . 17 1 1 A 105 105 GLY CA C 105 44.214 44.315 -0.101 1
1 1253 . 17 1 1 A 105 105 GLY N N 105 104.168 108.555 -4.387 1
1 1254 . 17 1 1 A 106 106 CYS H H 106 9.026 8.258 0.768 1
1 1255 . 17 1 1 A 106 106 CYS HA H 106 4.253 5.265 -1.012 1
1 1258 . 17 1 1 A 106 106 CYS C C 106 173.438 174.685 -1.247 1
1 1259 . 17 1 1 A 106 106 CYS CA C 106 57.814 58.174 -0.360 1
1 1260 . 17 1 1 A 106 106 CYS CB C 106 26.162 30.110 -3.948 1
1 1261 . 17 1 1 A 106 106 CYS N N 106 121.949 119.845 2.104 1
1 1262 . 17 1 1 A 107 107 GLY H H 107 8.584 8.420 0.164 1
1 1263 . 17 1 1 A 107 107 GLY HA2 H 107 3.706 4.337 -0.631 1
1 1264 . 17 1 1 A 107 107 GLY HA3 H 107 3.954 4.382 -0.428 1
1 1265 . 17 1 1 A 107 107 GLY C C 107 173.461 173.803 -0.342 1
1 1266 . 17 1 1 A 107 107 GLY CA C 107 45.258 45.183 0.075 1
1 1267 . 17 1 1 A 107 107 GLY N N 107 114.561 109.072 5.489 1
1 1268 . 17 1 1 A 108 108 GLU H H 108 8.503 8.877 -0.374 1
1 1269 . 17 1 1 A 108 108 GLU HA H 108 4.051 4.329 -0.278 1
1 1274 . 17 1 1 A 108 108 GLU C C 108 178.118 178.143 -0.025 1
1 1275 . 17 1 1 A 108 108 GLU CA C 108 57.478 58.667 -1.189 1
1 1276 . 17 1 1 A 108 108 GLU CB C 108 29.835 29.674 0.161 1
1 1278 . 17 1 1 A 108 108 GLU N N 108 119.609 119.021 0.588 1
1 1279 . 17 1 1 A 109 109 SER H H 109 8.082 7.913 0.169 1
1 1280 . 17 1 1 A 109 109 SER HA H 109 4.127 4.444 -0.317 1
1 1283 . 17 1 1 A 109 109 SER C C 109 173.569 174.882 -1.313 1
1 1284 . 17 1 1 A 109 109 SER CA C 109 60.141 60.128 0.013 1
1 1285 . 17 1 1 A 109 109 SER CB C 109 63.935 63.897 0.038 1
1 1286 . 17 1 1 A 109 109 SER N N 109 112.186 114.450 -2.264 1
1 1287 . 17 1 1 A 110 110 ILE H H 110 6.570 7.832 -1.262 1
1 1288 . 17 1 1 A 110 110 ILE HA H 110 4.235 4.597 -0.362 1
1 1298 . 17 1 1 A 110 110 ILE CA C 110 58.031 58.141 -0.110 1
1 1299 . 17 1 1 A 110 110 ILE CB C 110 39.086 38.117 0.969 1
1 1303 . 17 1 1 A 110 110 ILE N N 110 116.937 115.152 1.785 1
1 1304 . 17 1 1 A 111 111 PRO HA H 111 4.510 4.870 -0.360 1
1 1311 . 17 1 1 A 111 111 PRO C C 111 179.076 176.315 2.761 1
1 1312 . 17 1 1 A 111 111 PRO CA C 111 61.703 63.073 -1.370 1
1 1313 . 17 1 1 A 111 111 PRO CB C 111 32.729 32.484 0.245 1
1 1316 . 17 1 1 A 112 112 GLY H H 112 9.018 8.413 0.605 1
1 1317 . 17 1 1 A 112 112 GLY HA2 H 112 3.461 4.089 -0.628 1
1 1318 . 17 1 1 A 112 112 GLY HA3 H 112 3.714 4.105 -0.391 1
1 1319 . 17 1 1 A 112 112 GLY C C 112 172.723 174.547 -1.824 1
1 1320 . 17 1 1 A 112 112 GLY CA C 112 46.262 44.870 1.392 1
1 1321 . 17 1 1 A 112 112 GLY N N 112 111.592 108.133 3.459 1
1 1322 . 17 1 1 A 113 113 ASN H H 113 8.381 8.933 -0.552 1
1 1323 . 17 1 1 A 113 113 ASN HA H 113 4.278 4.824 -0.546 1
1 1328 . 17 1 1 A 113 113 ASN C C 113 174.643 175.298 -0.655 1
1 1329 . 17 1 1 A 113 113 ASN CA C 113 54.388 52.838 1.550 1
1 1330 . 17 1 1 A 113 113 ASN CB C 113 37.204 38.970 -1.766 1
1 1331 . 17 1 1 A 113 113 ASN N N 113 116.937 124.961 -8.024 1
1 1333 . 17 1 1 A 114 114 SER H H 114 7.617 7.666 -0.049 1
1 1334 . 17 1 1 A 114 114 SER HA H 114 4.517 4.524 -0.007 1
1 1337 . 17 1 1 A 114 114 SER C C 114 172.904 173.773 -0.869 1
1 1338 . 17 1 1 A 114 114 SER CA C 114 59.864 58.550 1.314 1
1 1339 . 17 1 1 A 114 114 SER CB C 114 64.678 64.301 0.377 1
1 1340 . 17 1 1 A 114 114 SER N N 114 113.077 115.574 -2.497 1
1 1341 . 17 1 1 A 115 115 VAL H H 115 8.500 8.422 0.078 1
1 1342 . 17 1 1 A 115 115 VAL HA H 115 4.341 4.639 -0.298 1
1 1350 . 17 1 1 A 115 115 VAL C C 115 176.075 174.610 1.465 1
1 1351 . 17 1 1 A 115 115 VAL CA C 115 62.705 61.130 1.575 1
1 1352 . 17 1 1 A 115 115 VAL CB C 115 31.546 33.347 -1.801 1
1 1355 . 17 1 1 A 115 115 VAL N N 115 124.360 124.109 0.251 1
1 1356 . 17 1 1 A 116 116 LEU H H 116 9.104 8.767 0.337 1
1 1357 . 17 1 1 A 116 116 LEU HA H 116 5.002 4.927 0.075 1
1 1367 . 17 1 1 A 116 116 LEU C C 116 174.923 175.386 -0.463 1
1 1368 . 17 1 1 A 116 116 LEU CA C 116 53.123 53.406 -0.283 1
1 1369 . 17 1 1 A 116 116 LEU CB C 116 45.379 45.795 -0.416 1
1 1373 . 17 1 1 A 116 116 LEU N N 116 128.814 129.135 -0.321 1
1 1374 . 17 1 1 A 117 117 LEU H H 117 9.009 8.623 0.386 1
1 1375 . 17 1 1 A 117 117 LEU HA H 117 5.601 4.879 0.722 1
1 1385 . 17 1 1 A 117 117 LEU C C 117 176.574 175.148 1.426 1
1 1386 . 17 1 1 A 117 117 LEU CA C 117 52.750 52.767 -0.017 1
1 1387 . 17 1 1 A 117 117 LEU CB C 117 44.693 43.055 1.638 1
1 1391 . 17 1 1 A 117 117 LEU N N 117 121.391 121.359 0.032 1
1 1392 . 17 1 1 A 118 118 PHE H H 118 9.375 8.667 0.708 1
1 1393 . 17 1 1 A 118 118 PHE HA H 118 6.155 5.198 0.957 1
1 1401 . 17 1 1 A 118 118 PHE C C 118 176.518 175.404 1.114 1
1 1402 . 17 1 1 A 118 118 PHE CA C 118 55.411 56.426 -1.015 1
1 1403 . 17 1 1 A 118 118 PHE CB C 118 42.385 41.201 1.184 1
1 1404 . 17 1 1 A 118 118 PHE N N 118 117.531 123.310 -5.779 1
1 1405 . 17 1 1 A 119 119 GLU H H 119 8.905 9.546 -0.641 1
1 1406 . 17 1 1 A 119 119 GLU HA H 119 5.604 4.823 0.781 1
1 1411 . 17 1 1 A 119 119 GLU C C 119 175.947 175.731 0.216 1
1 1412 . 17 1 1 A 119 119 GLU CA C 119 60.489 56.789 3.700 1
1 1413 . 17 1 1 A 119 119 GLU CB C 119 31.189 30.791 0.398 1
1 1415 . 17 1 1 A 119 119 GLU N N 119 122.876 123.789 -0.913 1
1 1416 . 17 1 1 A 120 120 ILE H H 120 8.912 9.252 -0.340 1
1 1417 . 17 1 1 A 120 120 ILE HA H 120 4.965 5.285 -0.320 1
1 1427 . 17 1 1 A 120 120 ILE C C 120 173.341 174.050 -0.709 1
1 1428 . 17 1 1 A 120 120 ILE CA C 120 60.568 60.471 0.097 1
1 1429 . 17 1 1 A 120 120 ILE CB C 120 41.927 40.324 1.603 1
1 1433 . 17 1 1 A 120 120 ILE N N 120 123.000 125.117 -2.117 1
1 1434 . 17 1 1 A 121 121 GLU H H 121 9.074 9.287 -0.213 1
1 1435 . 17 1 1 A 121 121 GLU HA H 121 5.445 5.061 0.384 1
1 1440 . 17 1 1 A 121 121 GLU C C 121 175.254 174.763 0.491 1
1 1441 . 17 1 1 A 121 121 GLU CA C 121 53.941 54.651 -0.710 1
1 1442 . 17 1 1 A 121 121 GLU CB C 121 33.897 32.369 1.528 1
1 1444 . 17 1 1 A 121 121 GLU N N 121 128.221 128.620 -0.399 1
1 1445 . 17 1 1 A 122 122 LEU H H 122 8.112 8.670 -0.558 1
1 1446 . 17 1 1 A 122 122 LEU HA H 122 4.680 4.456 0.224 1
1 1456 . 17 1 1 A 122 122 LEU C C 122 174.472 176.883 -2.411 1
1 1457 . 17 1 1 A 122 122 LEU CA C 122 54.403 54.169 0.234 1
1 1458 . 17 1 1 A 122 122 LEU CB C 122 40.796 42.020 -1.224 1
1 1462 . 17 1 1 A 122 122 LEU N N 122 127.033 128.333 -1.300 1
1 1463 . 17 1 1 A 123 123 LEU H H 123 8.704 8.427 0.277 1
1 1464 . 17 1 1 A 123 123 LEU HA H 123 4.385 4.541 -0.156 1
1 1474 . 17 1 1 A 123 123 LEU C C 123 177.614 176.832 0.782 1
1 1475 . 17 1 1 A 123 123 LEU CA C 123 57.095 55.050 2.045 1
1 1476 . 17 1 1 A 123 123 LEU CB C 123 42.226 42.805 -0.579 1
1 1480 . 17 1 1 A 123 123 LEU N N 123 128.814 123.492 5.322 1
1 1481 . 17 1 1 A 124 124 SER H H 124 7.602 7.182 0.420 1
1 1482 . 17 1 1 A 124 124 SER HA H 124 4.161 4.938 -0.777 1
1 1485 . 17 1 1 A 124 124 SER C C 124 171.375 172.370 -0.995 1
1 1486 . 17 1 1 A 124 124 SER CA C 124 57.545 57.224 0.321 1
1 1487 . 17 1 1 A 124 124 SER CB C 124 63.359 65.320 -1.961 1
1 1488 . 17 1 1 A 124 124 SER N N 124 105.653 113.395 -7.742 1
1 1489 . 17 1 1 A 125 125 PHE H H 125 7.818 9.112 -1.294 1
1 1490 . 17 1 1 A 125 125 PHE HA H 125 5.451 5.281 0.170 1
1 1498 . 17 1 1 A 125 125 PHE C C 125 173.154 172.783 0.371 1
1 1499 . 17 1 1 A 125 125 PHE CA C 125 56.463 56.311 0.152 1
1 1500 . 17 1 1 A 125 125 PHE CB C 125 42.301 41.317 0.984 1
1 1501 . 17 1 1 A 125 125 PHE N N 125 113.373 120.002 -6.629 1
1 1502 . 17 1 1 A 126 126 ARG H H 126 8.934 8.755 0.179 1
1 1503 . 17 1 1 A 126 126 ARG HA H 126 4.693 4.827 -0.134 1
1 1510 . 17 1 1 A 126 126 ARG C C 126 174.013 174.386 -0.373 1
1 1511 . 17 1 1 A 126 126 ARG CA C 126 54.654 54.454 0.200 1
1 1512 . 17 1 1 A 126 126 ARG CB C 126 33.064 33.249 -0.185 1
1 1515 . 17 1 1 A 126 126 ARG N N 126 116.046 119.540 -3.494 1
1 1516 . 17 1 1 A 127 127 GLU H H 127 8.665 8.638 0.027 1
1 1517 . 17 1 1 A 127 127 GLU HA H 127 4.436 4.709 -0.273 1
1 1522 . 17 1 1 A 127 127 GLU C C 127 176.050 176.763 -0.713 1
1 1523 . 17 1 1 A 127 127 GLU CA C 127 55.552 55.800 -0.248 1
1 1524 . 17 1 1 A 127 127 GLU CB C 127 30.600 30.839 -0.239 1
1 1 . 18 1 1 A 2 2 THR HA H 2 4.479 4.444 0.035 1
1 6 . 18 1 1 A 2 2 THR C C 2 174.348 175.190 -0.842 1
1 7 . 18 1 1 A 2 2 THR CA C 2 61.838 60.987 0.851 1
1 8 . 18 1 1 A 2 2 THR CB C 2 69.919 70.285 -0.366 1
1 10 . 18 1 1 A 3 3 THR H H 3 8.289 8.910 -0.621 1
1 11 . 18 1 1 A 3 3 THR HA H 3 4.282 4.556 -0.274 1
1 16 . 18 1 1 A 3 3 THR C C 3 174.404 173.860 0.544 1
1 17 . 18 1 1 A 3 3 THR CA C 3 62.140 61.858 0.282 1
1 18 . 18 1 1 A 3 3 THR CB C 3 69.658 69.032 0.626 1
1 20 . 18 1 1 A 3 3 THR N N 3 116.640 117.551 -0.911 1
1 21 . 18 1 1 A 4 4 GLU H H 4 8.567 7.607 0.960 1
1 22 . 18 1 1 A 4 4 GLU HA H 4 4.156 4.686 -0.530 1
1 27 . 18 1 1 A 4 4 GLU C C 4 176.216 175.612 0.604 1
1 28 . 18 1 1 A 4 4 GLU CA C 4 56.929 54.764 2.165 1
1 29 . 18 1 1 A 4 4 GLU CB C 4 29.821 32.396 -2.575 1
1 31 . 18 1 1 A 4 4 GLU N N 4 123.469 119.768 3.701 1
1 32 . 18 1 1 A 5 5 GLN H H 5 8.222 8.510 -0.288 1
1 33 . 18 1 1 A 5 5 GLN HA H 5 4.167 4.383 -0.216 1
1 40 . 18 1 1 A 5 5 GLN C C 5 175.216 175.950 -0.734 1
1 41 . 18 1 1 A 5 5 GLN CA C 5 55.674 55.855 -0.181 1
1 42 . 18 1 1 A 5 5 GLN CB C 5 29.553 29.615 -0.062 1
1 45 . 18 1 1 A 5 5 GLN N N 5 120.797 119.813 0.984 1
1 47 . 18 1 1 A 6 6 GLU H H 6 8.171 8.693 -0.522 1
1 48 . 18 1 1 A 6 6 GLU HA H 6 4.080 4.476 -0.396 1
1 53 . 18 1 1 A 6 6 GLU C C 6 175.870 176.513 -0.643 1
1 54 . 18 1 1 A 6 6 GLU CA C 6 56.400 55.540 0.860 1
1 55 . 18 1 1 A 6 6 GLU CB C 6 30.335 29.716 0.619 1
1 57 . 18 1 1 A 6 6 GLU N N 6 122.100 125.204 -3.104 1
1 58 . 18 1 1 A 7 7 PHE H H 7 8.051 7.576 0.475 1
1 59 . 18 1 1 A 7 7 PHE HA H 7 4.710 4.673 0.037 1
1 67 . 18 1 1 A 7 7 PHE C C 7 175.461 175.916 -0.455 1
1 68 . 18 1 1 A 7 7 PHE CA C 7 56.825 58.309 -1.484 1
1 69 . 18 1 1 A 7 7 PHE CB C 7 39.812 40.502 -0.690 1
1 70 . 18 1 1 A 7 7 PHE N N 7 120.500 119.407 1.093 1
1 71 . 18 1 1 A 8 8 GLU H H 8 8.626 8.979 -0.353 1
1 72 . 18 1 1 A 8 8 GLU HA H 8 4.193 4.677 -0.484 1
1 77 . 18 1 1 A 8 8 GLU C C 8 176.141 176.062 0.079 1
1 78 . 18 1 1 A 8 8 GLU CA C 8 56.932 55.961 0.971 1
1 79 . 18 1 1 A 8 8 GLU CB C 8 30.794 30.855 -0.061 1
1 81 . 18 1 1 A 8 8 GLU N N 8 123.469 123.684 -0.215 1
1 82 . 18 1 1 A 9 9 LYS H H 9 8.396 8.620 -0.224 1
1 83 . 18 1 1 A 9 9 LYS HA H 9 5.100 4.956 0.144 1
1 92 . 18 1 1 A 9 9 LYS C C 9 176.168 175.402 0.766 1
1 93 . 18 1 1 A 9 9 LYS CA C 9 55.428 54.975 0.453 1
1 94 . 18 1 1 A 9 9 LYS CB C 9 34.214 34.890 -0.676 1
1 98 . 18 1 1 A 9 9 LYS N N 9 124.954 124.894 0.060 1
1 99 . 18 1 1 A 10 10 VAL H H 10 9.445 8.511 0.934 1
1 100 . 18 1 1 A 10 10 VAL HA H 10 4.278 4.520 -0.242 1
1 108 . 18 1 1 A 10 10 VAL C C 10 174.967 174.903 0.064 1
1 109 . 18 1 1 A 10 10 VAL CA C 10 60.951 61.528 -0.577 1
1 110 . 18 1 1 A 10 10 VAL CB C 10 34.681 32.464 2.217 1
1 113 . 18 1 1 A 10 10 VAL N N 10 124.360 123.561 0.799 1
1 114 . 18 1 1 A 11 11 GLU H H 11 9.021 8.861 0.160 1
1 115 . 18 1 1 A 11 11 GLU HA H 11 4.369 4.627 -0.258 1
1 120 . 18 1 1 A 11 11 GLU C C 11 174.797 177.264 -2.467 1
1 121 . 18 1 1 A 11 11 GLU CA C 11 56.728 56.089 0.639 1
1 122 . 18 1 1 A 11 11 GLU CB C 11 28.655 29.244 -0.589 1
1 124 . 18 1 1 A 11 11 GLU N N 11 127.924 127.036 0.888 1
1 125 . 18 1 1 A 12 12 LEU H H 12 8.396 8.873 -0.477 1
1 126 . 18 1 1 A 12 12 LEU HA H 12 4.311 3.951 0.360 1
1 136 . 18 1 1 A 12 12 LEU C C 12 176.600 176.349 0.251 1
1 137 . 18 1 1 A 12 12 LEU CA C 12 55.292 55.711 -0.419 1
1 138 . 18 1 1 A 12 12 LEU CB C 12 42.624 40.690 1.934 1
1 142 . 18 1 1 A 12 12 LEU N N 12 124.954 124.479 0.475 1
1 143 . 18 1 1 A 13 13 THR H H 13 7.328 7.842 -0.514 1
1 144 . 18 1 1 A 13 13 THR HA H 13 4.530 4.444 0.086 1
1 149 . 18 1 1 A 13 13 THR C C 13 175.180 175.846 -0.666 1
1 150 . 18 1 1 A 13 13 THR CA C 13 59.603 61.399 -1.796 1
1 151 . 18 1 1 A 13 13 THR CB C 13 70.742 70.026 0.716 1
1 153 . 18 1 1 A 13 13 THR N N 13 106.841 115.455 -8.614 1
1 154 . 18 1 1 A 14 14 ALA H H 14 8.689 9.037 -0.348 1
1 155 . 18 1 1 A 14 14 ALA HA H 14 4.247 4.122 0.125 1
1 159 . 18 1 1 A 14 14 ALA C C 14 177.522 177.680 -0.158 1
1 160 . 18 1 1 A 14 14 ALA CA C 14 53.875 53.536 0.339 1
1 161 . 18 1 1 A 14 14 ALA CB C 14 17.920 18.559 -0.639 1
1 162 . 18 1 1 A 14 14 ALA N N 14 123.733 129.280 -5.547 1
1 163 . 18 1 1 A 15 15 ASP H H 15 7.516 7.765 -0.249 1
1 164 . 18 1 1 A 15 15 ASP HA H 15 4.518 4.632 -0.114 1
1 167 . 18 1 1 A 15 15 ASP C C 15 177.402 176.156 1.246 1
1 168 . 18 1 1 A 15 15 ASP CA C 15 52.635 54.237 -1.602 1
1 169 . 18 1 1 A 15 15 ASP CB C 15 40.912 40.971 -0.059 1
1 170 . 18 1 1 A 15 15 ASP N N 15 113.967 116.723 -2.756 1
1 171 . 18 1 1 A 16 16 GLY H H 16 7.986 7.524 0.462 1
1 172 . 18 1 1 A 16 16 GLY HA2 H 16 4.080 3.975 0.105 1
1 173 . 18 1 1 A 16 16 GLY HA3 H 16 3.529 3.987 -0.458 1
1 174 . 18 1 1 A 16 16 GLY C C 16 175.233 175.316 -0.083 1
1 175 . 18 1 1 A 16 16 GLY CA C 16 45.798 45.034 0.764 1
1 176 . 18 1 1 A 16 16 GLY N N 16 108.919 105.717 3.202 1
1 177 . 18 1 1 A 17 17 GLY H H 17 8.681 8.608 0.073 1
1 178 . 18 1 1 A 17 17 GLY HA2 H 17 4.513 3.956 0.557 1
1 179 . 18 1 1 A 17 17 GLY HA3 H 17 4.513 3.976 0.537 1
1 180 . 18 1 1 A 17 17 GLY C C 17 172.684 174.085 -1.401 1
1 181 . 18 1 1 A 17 17 GLY CA C 17 46.672 46.835 -0.163 1
1 182 . 18 1 1 A 17 17 GLY N N 17 108.663 107.963 0.700 1
1 183 . 18 1 1 A 18 18 VAL H H 18 6.903 7.475 -0.572 1
1 184 . 18 1 1 A 18 18 VAL HA H 18 4.855 4.142 0.713 1
1 192 . 18 1 1 A 18 18 VAL C C 18 174.737 174.426 0.311 1
1 193 . 18 1 1 A 18 18 VAL CA C 18 62.035 60.294 1.741 1
1 194 . 18 1 1 A 18 18 VAL CB C 18 33.315 35.390 -2.075 1
1 197 . 18 1 1 A 18 18 VAL N N 18 117.234 118.423 -1.189 1
1 198 . 18 1 1 A 19 19 ILE H H 19 8.243 8.328 -0.085 1
1 199 . 18 1 1 A 19 19 ILE HA H 19 4.665 4.482 0.183 1
1 209 . 18 1 1 A 19 19 ILE C C 19 174.360 175.605 -1.245 1
1 210 . 18 1 1 A 19 19 ILE CA C 19 60.736 60.742 -0.006 1
1 211 . 18 1 1 A 19 19 ILE CB C 19 41.856 37.011 4.845 1
1 215 . 18 1 1 A 19 19 ILE N N 19 126.439 127.101 -0.662 1
1 216 . 18 1 1 A 20 20 LYS H H 20 9.345 8.874 0.471 1
1 217 . 18 1 1 A 20 20 LYS HA H 20 5.296 5.016 0.280 1
1 226 . 18 1 1 A 20 20 LYS C C 20 173.618 174.659 -1.041 1
1 227 . 18 1 1 A 20 20 LYS CA C 20 54.842 54.450 0.392 1
1 228 . 18 1 1 A 20 20 LYS CB C 20 36.261 36.054 0.207 1
1 232 . 18 1 1 A 20 20 LYS N N 20 129.408 124.750 4.658 1
1 233 . 18 1 1 A 21 21 THR H H 21 9.597 9.319 0.278 1
1 234 . 18 1 1 A 21 21 THR HA H 21 4.923 4.772 0.151 1
1 239 . 18 1 1 A 21 21 THR C C 21 174.648 174.201 0.447 1
1 240 . 18 1 1 A 21 21 THR CA C 21 61.703 62.246 -0.543 1
1 241 . 18 1 1 A 21 21 THR CB C 21 70.230 69.973 0.257 1
1 243 . 18 1 1 A 21 21 THR N N 21 123.469 117.133 6.336 1
1 244 . 18 1 1 A 22 22 ILE H H 22 9.248 8.765 0.483 1
1 245 . 18 1 1 A 22 22 ILE HA H 22 3.637 4.082 -0.445 1
1 255 . 18 1 1 A 22 22 ILE C C 22 174.348 175.003 -0.655 1
1 256 . 18 1 1 A 22 22 ILE CA C 22 64.258 62.108 2.150 1
1 257 . 18 1 1 A 22 22 ILE CB C 22 37.551 38.277 -0.726 1
1 261 . 18 1 1 A 22 22 ILE N N 22 128.517 128.684 -0.167 1
1 262 . 18 1 1 A 23 23 LEU H H 23 8.498 8.737 -0.239 1
1 263 . 18 1 1 A 23 23 LEU HA H 23 4.180 3.648 0.532 1
1 273 . 18 1 1 A 23 23 LEU C C 23 177.521 175.902 1.619 1
1 274 . 18 1 1 A 23 23 LEU CA C 23 55.460 55.479 -0.019 1
1 275 . 18 1 1 A 23 23 LEU CB C 23 42.239 42.553 -0.314 1
1 279 . 18 1 1 A 23 23 LEU N N 23 128.517 129.599 -1.082 1
1 280 . 18 1 1 A 24 24 LYS H H 24 8.020 7.575 0.445 1
1 281 . 18 1 1 A 24 24 LYS HA H 24 4.392 4.377 0.015 1
1 290 . 18 1 1 A 24 24 LYS C C 24 174.465 176.120 -1.655 1
1 291 . 18 1 1 A 24 24 LYS CA C 24 55.848 55.175 0.673 1
1 292 . 18 1 1 A 24 24 LYS CB C 24 35.692 33.670 2.022 1
1 296 . 18 1 1 A 24 24 LYS N N 24 120.797 116.863 3.934 1
1 297 . 18 1 1 A 25 25 LYS H H 25 8.657 9.062 -0.405 1
1 298 . 18 1 1 A 25 25 LYS HA H 25 4.178 4.911 -0.733 1
1 307 . 18 1 1 A 25 25 LYS C C 25 177.616 175.522 2.094 1
1 308 . 18 1 1 A 25 25 LYS CA C 25 57.218 54.577 2.641 1
1 309 . 18 1 1 A 25 25 LYS CB C 25 32.846 34.923 -2.077 1
1 313 . 18 1 1 A 25 25 LYS N N 25 126.439 119.210 7.229 1
1 314 . 18 1 1 A 26 26 GLY H H 26 9.728 8.759 0.969 1
1 315 . 18 1 1 A 26 26 GLY HA2 H 26 3.408 4.064 -0.656 1
1 316 . 18 1 1 A 26 26 GLY HA3 H 26 4.120 4.070 0.050 1
1 317 . 18 1 1 A 26 26 GLY C C 26 173.278 174.286 -1.008 1
1 318 . 18 1 1 A 26 26 GLY CA C 26 43.709 45.281 -1.572 1
1 319 . 18 1 1 A 26 26 GLY N N 26 110.404 109.327 1.077 1
1 320 . 18 1 1 A 27 27 ASP H H 27 8.550 8.973 -0.423 1
1 321 . 18 1 1 A 27 27 ASP HA H 27 4.401 4.671 -0.270 1
1 324 . 18 1 1 A 27 27 ASP C C 27 175.993 176.125 -0.132 1
1 325 . 18 1 1 A 27 27 ASP CA C 27 55.105 56.316 -1.211 1
1 326 . 18 1 1 A 27 27 ASP CB C 27 41.688 41.010 0.678 1
1 327 . 18 1 1 A 27 27 ASP N N 27 121.391 121.418 -0.027 1
1 328 . 18 1 1 A 28 28 GLU H H 28 8.419 7.894 0.525 1
1 329 . 18 1 1 A 28 28 GLU HA H 28 4.063 4.711 -0.648 1
1 334 . 18 1 1 A 28 28 GLU C C 28 176.146 176.633 -0.487 1
1 335 . 18 1 1 A 28 28 GLU CA C 28 57.076 55.600 1.476 1
1 336 . 18 1 1 A 28 28 GLU CB C 28 30.774 31.842 -1.068 1
1 338 . 18 1 1 A 28 28 GLU N N 28 120.203 116.157 4.046 1
1 339 . 18 1 1 A 29 29 GLY H H 29 8.364 8.670 -0.306 1
1 340 . 18 1 1 A 29 29 GLY HA2 H 29 4.758 4.311 0.447 1
1 341 . 18 1 1 A 29 29 GLY HA3 H 29 4.584 4.328 0.256 1
1 342 . 18 1 1 A 29 29 GLY C C 29 175.976 175.455 0.521 1
1 343 . 18 1 1 A 29 29 GLY CA C 29 44.686 45.699 -1.013 1
1 344 . 18 1 1 A 29 29 GLY N N 29 110.404 108.887 1.517 1
1 345 . 18 1 1 A 30 30 GLU H H 30 8.867 8.034 0.833 1
1 346 . 18 1 1 A 30 30 GLU HA H 30 3.749 4.100 -0.351 1
1 351 . 18 1 1 A 30 30 GLU C C 30 177.872 177.705 0.167 1
1 352 . 18 1 1 A 30 30 GLU CA C 30 59.045 58.897 0.148 1
1 353 . 18 1 1 A 30 30 GLU CB C 30 29.030 29.608 -0.578 1
1 355 . 18 1 1 A 30 30 GLU N N 30 125.251 121.109 4.142 1
1 356 . 18 1 1 A 31 31 GLU H H 31 9.842 7.886 1.956 1
1 357 . 18 1 1 A 31 31 GLU HA H 31 4.312 4.513 -0.201 1
1 362 . 18 1 1 A 31 31 GLU C C 31 176.330 175.588 0.742 1
1 363 . 18 1 1 A 31 31 GLU CA C 31 57.437 55.958 1.479 1
1 364 . 18 1 1 A 31 31 GLU CB C 31 28.040 30.637 -2.597 1
1 366 . 18 1 1 A 31 31 GLU N N 31 118.421 116.344 2.077 1
1 367 . 18 1 1 A 32 32 ASN H H 32 7.731 7.892 -0.161 1
1 368 . 18 1 1 A 32 32 ASN HA H 32 5.127 5.345 -0.218 1
1 373 . 18 1 1 A 32 32 ASN C C 32 172.750 173.985 -1.235 1
1 374 . 18 1 1 A 32 32 ASN CA C 32 54.111 52.449 1.662 1
1 375 . 18 1 1 A 32 32 ASN CB C 32 40.161 38.954 1.207 1
1 376 . 18 1 1 A 32 32 ASN N N 32 116.937 118.526 -1.589 1
1 378 . 18 1 1 A 33 33 ILE H H 33 7.105 8.465 -1.360 1
1 379 . 18 1 1 A 33 33 ILE HA H 33 4.793 4.707 0.086 1
1 389 . 18 1 1 A 33 33 ILE CA C 33 57.895 57.730 0.165 1
1 390 . 18 1 1 A 33 33 ILE CB C 33 40.609 41.029 -0.420 1
1 394 . 18 1 1 A 33 33 ILE N N 33 121.985 126.021 -4.036 1
1 395 . 18 1 1 A 34 34 PRO HA H 34 4.065 5.113 -1.048 1
1 402 . 18 1 1 A 34 34 PRO C C 34 173.754 175.927 -2.173 1
1 403 . 18 1 1 A 34 34 PRO CA C 34 61.962 62.470 -0.508 1
1 404 . 18 1 1 A 34 34 PRO CB C 34 31.877 31.608 0.269 1
1 407 . 18 1 1 A 35 35 LYS H H 35 7.101 8.798 -1.697 1
1 408 . 18 1 1 A 35 35 LYS HA H 35 4.377 4.938 -0.561 1
1 417 . 18 1 1 A 35 35 LYS C C 35 175.712 176.319 -0.607 1
1 418 . 18 1 1 A 35 35 LYS CA C 35 53.404 54.666 -1.262 1
1 419 . 18 1 1 A 35 35 LYS CB C 35 35.229 35.754 -0.525 1
1 423 . 18 1 1 A 35 35 LYS N N 35 116.046 123.684 -7.638 1
1 424 . 18 1 1 A 36 36 LYS H H 36 8.144 8.529 -0.385 1
1 425 . 18 1 1 A 36 36 LYS HA H 36 3.515 4.376 -0.861 1
1 434 . 18 1 1 A 36 36 LYS C C 36 176.774 176.875 -0.101 1
1 435 . 18 1 1 A 36 36 LYS CA C 36 58.608 56.142 2.466 1
1 436 . 18 1 1 A 36 36 LYS CB C 36 32.089 33.127 -1.038 1
1 440 . 18 1 1 A 36 36 LYS N N 36 120.797 121.735 -0.938 1
1 441 . 18 1 1 A 37 37 GLY H H 37 9.113 8.489 0.624 1
1 442 . 18 1 1 A 37 37 GLY HA2 H 37 3.494 4.016 -0.522 1
1 443 . 18 1 1 A 37 37 GLY HA3 H 37 4.330 4.018 0.312 1
1 444 . 18 1 1 A 37 37 GLY C C 37 175.329 174.664 0.665 1
1 445 . 18 1 1 A 37 37 GLY CA C 37 44.853 45.055 -0.202 1
1 446 . 18 1 1 A 37 37 GLY N N 37 113.967 111.579 2.388 1
1 447 . 18 1 1 A 38 38 ASN H H 38 8.447 7.911 0.536 1
1 448 . 18 1 1 A 38 38 ASN HA H 38 4.663 4.984 -0.321 1
1 453 . 18 1 1 A 38 38 ASN C C 38 174.878 174.424 0.454 1
1 454 . 18 1 1 A 38 38 ASN CA C 38 53.557 52.570 0.987 1
1 455 . 18 1 1 A 38 38 ASN CB C 38 39.155 39.884 -0.729 1
1 457 . 18 1 1 A 38 38 ASN N N 38 117.828 119.315 -1.487 1
1 459 . 18 1 1 A 39 39 GLU H H 39 8.331 8.578 -0.247 1
1 460 . 18 1 1 A 39 39 GLU HA H 39 4.254 4.604 -0.350 1
1 465 . 18 1 1 A 39 39 GLU C C 39 175.656 176.278 -0.622 1
1 466 . 18 1 1 A 39 39 GLU CA C 39 55.804 56.407 -0.603 1
1 467 . 18 1 1 A 39 39 GLU CB C 39 31.464 29.710 1.754 1
1 469 . 18 1 1 A 39 39 GLU N N 39 121.094 122.236 -1.142 1
1 470 . 18 1 1 A 40 40 VAL H H 40 9.138 8.627 0.511 1
1 471 . 18 1 1 A 40 40 VAL HA H 40 4.699 5.044 -0.345 1
1 479 . 18 1 1 A 40 40 VAL C C 40 173.240 174.415 -1.175 1
1 480 . 18 1 1 A 40 40 VAL CA C 40 59.559 60.266 -0.707 1
1 481 . 18 1 1 A 40 40 VAL CB C 40 32.896 34.329 -1.433 1
1 484 . 18 1 1 A 40 40 VAL N N 40 125.845 122.448 3.397 1
1 485 . 18 1 1 A 41 41 THR H H 41 8.328 8.856 -0.528 1
1 486 . 18 1 1 A 41 41 THR HA H 41 4.982 4.779 0.203 1
1 491 . 18 1 1 A 41 41 THR C C 41 174.455 173.773 0.682 1
1 492 . 18 1 1 A 41 41 THR CA C 41 61.964 61.508 0.456 1
1 493 . 18 1 1 A 41 41 THR CB C 41 69.623 70.544 -0.921 1
1 495 . 18 1 1 A 41 41 THR N N 41 117.531 117.581 -0.050 1
1 496 . 18 1 1 A 42 42 VAL H H 42 9.581 8.294 1.287 1
1 497 . 18 1 1 A 42 42 VAL HA H 42 5.669 5.132 0.537 1
1 505 . 18 1 1 A 42 42 VAL C C 42 174.919 173.640 1.279 1
1 506 . 18 1 1 A 42 42 VAL CA C 42 57.930 58.929 -0.999 1
1 507 . 18 1 1 A 42 42 VAL CB C 42 35.321 34.675 0.646 1
1 510 . 18 1 1 A 42 42 VAL N N 42 117.828 120.194 -2.366 1
1 511 . 18 1 1 A 43 43 HIS H H 43 8.333 8.730 -0.397 1
1 512 . 18 1 1 A 43 43 HIS HA H 43 5.407 5.285 0.122 1
1 515 . 18 1 1 A 43 43 HIS C C 43 176.136 173.413 2.723 1
1 516 . 18 1 1 A 43 43 HIS CA C 43 54.147 54.541 -0.394 1
1 517 . 18 1 1 A 43 43 HIS CB C 43 35.339 33.441 1.898 1
1 518 . 18 1 1 A 43 43 HIS N N 43 119.906 124.862 -4.956 1
1 519 . 18 1 1 A 44 44 TYR H H 44 9.622 8.707 0.915 1
1 520 . 18 1 1 A 44 44 TYR HA H 44 6.247 6.488 -0.241 1
1 527 . 18 1 1 A 44 44 TYR C C 44 172.857 173.578 -0.721 1
1 528 . 18 1 1 A 44 44 TYR CA C 44 56.304 55.358 0.946 1
1 529 . 18 1 1 A 44 44 TYR CB C 44 43.537 42.755 0.782 1
1 530 . 18 1 1 A 44 44 TYR N N 44 117.234 120.642 -3.408 1
1 531 . 18 1 1 A 45 45 VAL H H 45 8.735 8.775 -0.040 1
1 532 . 18 1 1 A 45 45 VAL HA H 45 4.520 4.718 -0.198 1
1 540 . 18 1 1 A 45 45 VAL C C 45 175.200 174.776 0.424 1
1 541 . 18 1 1 A 45 45 VAL CA C 45 62.212 60.228 1.984 1
1 542 . 18 1 1 A 45 45 VAL CB C 45 35.550 34.758 0.792 1
1 545 . 18 1 1 A 45 45 VAL N N 45 118.125 119.277 -1.152 1
1 546 . 18 1 1 A 46 46 GLY H H 46 9.126 8.123 1.003 1
1 547 . 18 1 1 A 46 46 GLY HA2 H 46 4.539 4.071 0.468 1
1 548 . 18 1 1 A 46 46 GLY HA3 H 46 4.506 4.136 0.370 1
1 549 . 18 1 1 A 46 46 GLY C C 46 170.771 171.576 -0.805 1
1 550 . 18 1 1 A 46 46 GLY CA C 46 45.601 45.952 -0.351 1
1 551 . 18 1 1 A 46 46 GLY N N 46 114.858 111.672 3.186 1
1 552 . 18 1 1 A 47 47 LYS H H 47 9.121 8.058 1.063 1
1 553 . 18 1 1 A 47 47 LYS HA H 47 5.176 4.685 0.491 1
1 562 . 18 1 1 A 47 47 LYS C C 47 175.830 173.907 1.923 1
1 563 . 18 1 1 A 47 47 LYS CA C 47 53.937 54.421 -0.484 1
1 564 . 18 1 1 A 47 47 LYS CB C 47 37.021 35.696 1.325 1
1 568 . 18 1 1 A 47 47 LYS N N 47 123.469 118.893 4.576 1
1 569 . 18 1 1 A 48 48 LEU H H 48 8.016 8.969 -0.953 1
1 570 . 18 1 1 A 48 48 LEU HA H 48 4.692 4.584 0.108 1
1 580 . 18 1 1 A 48 48 LEU C C 48 178.031 176.876 1.155 1
1 581 . 18 1 1 A 48 48 LEU CA C 48 54.231 54.238 -0.007 1
1 582 . 18 1 1 A 48 48 LEU CB C 48 41.678 42.330 -0.652 1
1 586 . 18 1 1 A 48 48 LEU N N 48 121.391 122.488 -1.097 1
1 587 . 18 1 1 A 49 49 GLU H H 49 8.085 8.444 -0.359 1
1 588 . 18 1 1 A 49 49 GLU HA H 49 3.835 3.910 -0.075 1
1 593 . 18 1 1 A 49 49 GLU C C 49 178.118 178.026 0.092 1
1 594 . 18 1 1 A 49 49 GLU CA C 49 59.974 59.387 0.587 1
1 595 . 18 1 1 A 49 49 GLU CB C 49 30.322 29.305 1.017 1
1 597 . 18 1 1 A 49 49 GLU N N 49 124.954 127.439 -2.485 1
1 598 . 18 1 1 A 50 50 SER H H 50 9.220 7.835 1.385 1
1 599 . 18 1 1 A 50 50 SER HA H 50 4.154 4.200 -0.046 1
1 602 . 18 1 1 A 50 50 SER C C 50 176.751 175.923 0.828 1
1 603 . 18 1 1 A 50 50 SER CA C 50 60.230 61.138 -0.908 1
1 604 . 18 1 1 A 50 50 SER CB C 50 62.229 63.254 -1.025 1
1 605 . 18 1 1 A 50 50 SER N N 50 112.186 115.114 -2.928 1
1 606 . 18 1 1 A 51 51 THR H H 51 6.784 7.616 -0.832 1
1 607 . 18 1 1 A 51 51 THR HA H 51 4.520 4.543 -0.023 1
1 612 . 18 1 1 A 51 51 THR C C 51 176.342 175.305 1.037 1
1 613 . 18 1 1 A 51 51 THR CA C 51 60.760 62.690 -1.930 1
1 614 . 18 1 1 A 51 51 THR CB C 51 71.046 71.132 -0.086 1
1 616 . 18 1 1 A 51 51 THR N N 51 105.653 112.607 -6.954 1
1 617 . 18 1 1 A 52 52 GLY H H 52 8.296 8.565 -0.269 1
1 618 . 18 1 1 A 52 52 GLY HA2 H 52 3.680 3.928 -0.248 1
1 619 . 18 1 1 A 52 52 GLY HA3 H 52 4.096 3.934 0.162 1
1 620 . 18 1 1 A 52 52 GLY C C 52 173.336 174.242 -0.906 1
1 621 . 18 1 1 A 52 52 GLY CA C 52 45.711 45.409 0.302 1
1 622 . 18 1 1 A 52 52 GLY N N 52 112.483 110.662 1.821 1
1 623 . 18 1 1 A 53 53 LYS H H 53 7.479 7.670 -0.191 1
1 624 . 18 1 1 A 53 53 LYS HA H 53 4.218 4.390 -0.172 1
1 633 . 18 1 1 A 53 53 LYS C C 53 176.513 175.727 0.786 1
1 634 . 18 1 1 A 53 53 LYS CA C 53 56.217 55.919 0.298 1
1 635 . 18 1 1 A 53 53 LYS CB C 53 33.430 32.911 0.519 1
1 639 . 18 1 1 A 53 53 LYS N N 53 119.609 119.725 -0.116 1
1 640 . 18 1 1 A 54 54 VAL H H 54 8.511 8.245 0.266 1
1 641 . 18 1 1 A 54 54 VAL HA H 54 4.244 4.251 -0.007 1
1 649 . 18 1 1 A 54 54 VAL C C 54 176.879 176.043 0.836 1
1 650 . 18 1 1 A 54 54 VAL CA C 54 62.409 62.476 -0.067 1
1 651 . 18 1 1 A 54 54 VAL CB C 54 32.697 32.684 0.013 1
1 654 . 18 1 1 A 54 54 VAL N N 54 126.109 124.885 1.224 1
1 655 . 18 1 1 A 55 55 PHE H H 55 8.325 8.464 -0.139 1
1 656 . 18 1 1 A 55 55 PHE HA H 55 5.036 4.780 0.256 1
1 664 . 18 1 1 A 55 55 PHE C C 55 174.856 174.381 0.475 1
1 665 . 18 1 1 A 55 55 PHE CA C 55 55.758 58.088 -2.330 1
1 666 . 18 1 1 A 55 55 PHE CB C 55 40.399 38.818 1.581 1
1 667 . 18 1 1 A 55 55 PHE N N 55 124.063 125.029 -0.966 1
1 668 . 18 1 1 A 56 56 ASP H H 56 6.884 8.634 -1.750 1
1 669 . 18 1 1 A 56 56 ASP HA H 56 4.801 5.092 -0.291 1
1 672 . 18 1 1 A 56 56 ASP C C 56 173.688 174.269 -0.581 1
1 673 . 18 1 1 A 56 56 ASP CA C 56 54.956 53.119 1.837 1
1 674 . 18 1 1 A 56 56 ASP CB C 56 43.616 41.585 2.031 1
1 675 . 18 1 1 A 56 56 ASP N N 56 120.500 126.862 -6.362 1
1 676 . 18 1 1 A 57 57 SER H H 57 8.038 8.774 -0.736 1
1 677 . 18 1 1 A 57 57 SER HA H 57 4.796 4.974 -0.178 1
1 680 . 18 1 1 A 57 57 SER C C 57 174.997 173.971 1.026 1
1 681 . 18 1 1 A 57 57 SER CA C 57 55.792 57.526 -1.734 1
1 682 . 18 1 1 A 57 57 SER CB C 57 64.961 67.135 -2.174 1
1 683 . 18 1 1 A 57 57 SER N N 57 118.421 121.106 -2.685 1
1 684 . 18 1 1 A 58 58 SER H H 58 8.429 8.796 -0.367 1
1 685 . 18 1 1 A 58 58 SER HA H 58 4.080 3.944 0.136 1
1 688 . 18 1 1 A 58 58 SER C C 58 177.399 175.677 1.722 1
1 689 . 18 1 1 A 58 58 SER CA C 58 61.499 62.321 -0.822 1
1 690 . 18 1 1 A 58 58 SER CB C 58 65.069 62.409 2.660 1
1 691 . 18 1 1 A 58 58 SER N N 58 123.766 118.137 5.629 1
1 692 . 18 1 1 A 59 59 PHE H H 59 7.276 7.266 0.010 1
1 693 . 18 1 1 A 59 59 PHE HA H 59 3.851 4.427 -0.576 1
1 701 . 18 1 1 A 59 59 PHE C C 59 178.929 178.161 0.768 1
1 702 . 18 1 1 A 59 59 PHE CA C 59 61.010 60.044 0.966 1
1 703 . 18 1 1 A 59 59 PHE CB C 59 38.129 39.752 -1.623 1
1 704 . 18 1 1 A 59 59 PHE N N 59 121.845 119.463 2.382 1
1 705 . 18 1 1 A 60 60 ASP H H 60 7.534 8.733 -1.199 1
1 706 . 18 1 1 A 60 60 ASP HA H 60 4.343 4.265 0.078 1
1 709 . 18 1 1 A 60 60 ASP C C 60 177.295 178.253 -0.958 1
1 710 . 18 1 1 A 60 60 ASP CA C 60 56.921 57.361 -0.440 1
1 711 . 18 1 1 A 60 60 ASP CB C 60 40.298 39.992 0.306 1
1 712 . 18 1 1 A 60 60 ASP N N 60 119.015 118.498 0.517 1
1 713 . 18 1 1 A 61 61 ARG H H 61 7.224 7.802 -0.578 1
1 714 . 18 1 1 A 61 61 ARG HA H 61 4.378 4.206 0.172 1
1 721 . 18 1 1 A 61 61 ARG C C 61 175.798 177.482 -1.684 1
1 722 . 18 1 1 A 61 61 ARG CA C 61 55.209 57.692 -2.483 1
1 723 . 18 1 1 A 61 61 ARG CB C 61 32.610 30.056 2.554 1
1 726 . 18 1 1 A 61 61 ARG N N 61 115.452 118.032 -2.580 1
1 727 . 18 1 1 A 62 62 ASN H H 62 7.946 8.457 -0.511 1
1 728 . 18 1 1 A 62 62 ASN HA H 62 4.392 4.903 -0.511 1
1 733 . 18 1 1 A 62 62 ASN C C 62 173.776 175.035 -1.259 1
1 734 . 18 1 1 A 62 62 ASN CA C 62 54.269 54.710 -0.441 1
1 735 . 18 1 1 A 62 62 ASN CB C 62 38.597 40.463 -1.866 1
1 737 . 18 1 1 A 62 62 ASN N N 62 115.196 117.990 -2.794 1
1 739 . 18 1 1 A 63 63 VAL H H 63 7.278 7.520 -0.242 1
1 740 . 18 1 1 A 63 63 VAL HA H 63 4.628 4.697 -0.069 1
1 748 . 18 1 1 A 63 63 VAL CA C 63 62.601 58.293 4.308 1
1 749 . 18 1 1 A 63 63 VAL CB C 63 35.186 34.535 0.651 1
1 752 . 18 1 1 A 63 63 VAL N N 63 115.155 114.477 0.678 1
1 753 . 18 1 1 A 64 64 PRO HA H 64 4.516 5.051 -0.535 1
1 760 . 18 1 1 A 64 64 PRO C C 64 174.254 175.745 -1.491 1
1 761 . 18 1 1 A 64 64 PRO CA C 64 62.601 62.332 0.269 1
1 762 . 18 1 1 A 64 64 PRO CB C 64 31.977 32.471 -0.494 1
1 765 . 18 1 1 A 65 65 PHE H H 65 9.109 8.842 0.267 1
1 766 . 18 1 1 A 65 65 PHE HA H 65 4.821 5.115 -0.294 1
1 774 . 18 1 1 A 65 65 PHE C C 65 173.320 174.101 -0.781 1
1 775 . 18 1 1 A 65 65 PHE CA C 65 57.292 56.758 0.534 1
1 776 . 18 1 1 A 65 65 PHE CB C 65 42.894 42.825 0.069 1
1 777 . 18 1 1 A 65 65 PHE N N 65 123.469 124.202 -0.733 1
1 778 . 18 1 1 A 66 66 LYS H H 66 7.474 8.280 -0.806 1
1 779 . 18 1 1 A 66 66 LYS HA H 66 5.378 5.321 0.057 1
1 788 . 18 1 1 A 66 66 LYS C C 66 175.026 174.396 0.630 1
1 789 . 18 1 1 A 66 66 LYS CA C 66 53.876 54.182 -0.306 1
1 790 . 18 1 1 A 66 66 LYS CB C 66 35.471 36.869 -1.398 1
1 794 . 18 1 1 A 66 66 LYS N N 66 125.548 122.725 2.823 1
1 795 . 18 1 1 A 67 67 PHE H H 67 8.114 8.509 -0.395 1
1 796 . 18 1 1 A 67 67 PHE HA H 67 4.469 5.148 -0.679 1
1 804 . 18 1 1 A 67 67 PHE C C 67 172.049 172.026 0.023 1
1 805 . 18 1 1 A 67 67 PHE CA C 67 55.662 55.361 0.301 1
1 806 . 18 1 1 A 67 67 PHE CB C 67 40.087 41.814 -1.727 1
1 807 . 18 1 1 A 67 67 PHE N N 67 115.419 116.638 -1.219 1
1 808 . 18 1 1 A 68 68 HIS H H 68 8.983 8.854 0.129 1
1 809 . 18 1 1 A 68 68 HIS HA H 68 5.482 5.129 0.353 1
1 812 . 18 1 1 A 68 68 HIS C C 68 174.742 175.038 -0.296 1
1 813 . 18 1 1 A 68 68 HIS CA C 68 55.348 54.407 0.941 1
1 814 . 18 1 1 A 68 68 HIS CB C 68 28.470 32.498 -4.028 1
1 815 . 18 1 1 A 68 68 HIS N N 68 118.421 116.575 1.846 1
1 816 . 18 1 1 A 69 69 LEU H H 69 8.317 8.695 -0.378 1
1 817 . 18 1 1 A 69 69 LEU HA H 69 4.016 4.512 -0.496 1
1 827 . 18 1 1 A 69 69 LEU CA C 69 56.060 55.762 0.298 1
1 828 . 18 1 1 A 69 69 LEU CB C 69 42.903 42.597 0.306 1
1 832 . 18 1 1 A 69 69 LEU N N 69 126.736 124.123 2.613 1
1 833 . 18 1 1 A 70 70 GLU H H 70 9.618 9.199 0.419 1
1 834 . 18 1 1 A 70 70 GLU HA H 70 3.847 3.960 -0.113 1
1 839 . 18 1 1 A 70 70 GLU C C 70 174.818 176.249 -1.431 1
1 840 . 18 1 1 A 70 70 GLU CA C 70 58.625 57.356 1.269 1
1 841 . 18 1 1 A 70 70 GLU CB C 70 27.456 28.028 -0.572 1
1 843 . 18 1 1 A 70 70 GLU N N 70 124.954 123.369 1.585 1
1 844 . 18 1 1 A 71 71 GLN H H 71 8.248 7.989 0.259 1
1 845 . 18 1 1 A 71 71 GLN HA H 71 4.678 4.636 0.042 1
1 852 . 18 1 1 A 71 71 GLN CA C 71 54.218 55.377 -1.159 1
1 853 . 18 1 1 A 71 71 GLN CB C 71 30.422 30.217 0.205 1
1 856 . 18 1 1 A 71 71 GLN N N 71 114.858 119.739 -4.881 1
1 858 . 18 1 1 A 72 72 GLY H H 72 8.362 8.167 0.195 1
1 859 . 18 1 1 A 72 72 GLY HA2 H 72 4.145 4.013 0.132 1
1 860 . 18 1 1 A 72 72 GLY HA3 H 72 4.059 4.029 0.030 1
1 861 . 18 1 1 A 72 72 GLY C C 72 175.783 175.199 0.584 1
1 862 . 18 1 1 A 72 72 GLY CA C 72 46.838 45.750 1.088 1
1 863 . 18 1 1 A 72 72 GLY N N 72 110.404 108.417 1.987 1
1 864 . 18 1 1 A 73 73 GLU H H 73 9.085 8.261 0.824 1
1 865 . 18 1 1 A 73 73 GLU HA H 73 4.187 4.499 -0.312 1
1 870 . 18 1 1 A 73 73 GLU C C 73 175.522 176.229 -0.707 1
1 871 . 18 1 1 A 73 73 GLU CA C 73 57.443 56.611 0.832 1
1 872 . 18 1 1 A 73 73 GLU CB C 73 31.378 30.628 0.750 1
1 874 . 18 1 1 A 73 73 GLU N N 73 118.421 117.449 0.972 1
1 875 . 18 1 1 A 74 74 VAL H H 74 6.862 7.427 -0.565 1
1 876 . 18 1 1 A 74 74 VAL HA H 74 4.281 4.399 -0.118 1
1 884 . 18 1 1 A 74 74 VAL C C 74 175.773 175.284 0.489 1
1 885 . 18 1 1 A 74 74 VAL CA C 74 57.468 60.448 -2.980 1
1 886 . 18 1 1 A 74 74 VAL CB C 74 36.344 34.179 2.165 1
1 889 . 18 1 1 A 74 74 VAL N N 74 108.919 114.359 -5.440 1
1 890 . 18 1 1 A 75 75 ILE H H 75 7.462 9.004 -1.542 1
1 891 . 18 1 1 A 75 75 ILE HA H 75 3.844 4.188 -0.344 1
1 901 . 18 1 1 A 75 75 ILE C C 75 177.618 177.199 0.419 1
1 902 . 18 1 1 A 75 75 ILE CA C 75 62.213 62.083 0.130 1
1 903 . 18 1 1 A 75 75 ILE CB C 75 37.337 38.030 -0.693 1
1 907 . 18 1 1 A 75 75 ILE N N 75 113.373 124.017 -10.644 1
1 908 . 18 1 1 A 76 76 LYS H H 76 9.047 8.133 0.914 1
1 909 . 18 1 1 A 76 76 LYS HA H 76 4.282 4.411 -0.129 1
1 918 . 18 1 1 A 76 76 LYS C C 76 180.009 178.642 1.367 1
1 919 . 18 1 1 A 76 76 LYS CA C 76 59.482 57.128 2.354 1
1 920 . 18 1 1 A 76 76 LYS CB C 76 32.740 34.247 -1.507 1
1 924 . 18 1 1 A 76 76 LYS N N 76 124.954 121.243 3.711 1
1 925 . 18 1 1 A 77 77 GLY H H 77 9.775 8.398 1.377 1
1 926 . 18 1 1 A 77 77 GLY HA2 H 77 3.786 3.216 0.570 1
1 927 . 18 1 1 A 77 77 GLY HA3 H 77 3.618 3.228 0.390 1
1 928 . 18 1 1 A 77 77 GLY C C 77 175.261 176.423 -1.162 1
1 929 . 18 1 1 A 77 77 GLY CA C 77 47.402 47.020 0.382 1
1 930 . 18 1 1 A 77 77 GLY N N 77 101.199 107.706 -6.507 1
1 931 . 18 1 1 A 78 78 TRP H H 78 7.817 7.762 0.055 1
1 932 . 18 1 1 A 78 78 TRP HA H 78 4.017 4.786 -0.769 1
1 940 . 18 1 1 A 78 78 TRP C C 78 177.610 178.058 -0.448 1
1 941 . 18 1 1 A 78 78 TRP CA C 78 61.524 60.055 1.469 1
1 942 . 18 1 1 A 78 78 TRP CB C 78 28.655 29.326 -0.671 1
1 943 . 18 1 1 A 78 78 TRP N N 78 120.203 122.301 -2.098 1
1 944 . 18 1 1 A 79 79 ASP H H 79 6.967 8.279 -1.312 1
1 945 . 18 1 1 A 79 79 ASP HA H 79 4.738 4.440 0.298 1
1 948 . 18 1 1 A 79 79 ASP C C 79 179.125 179.045 0.080 1
1 949 . 18 1 1 A 79 79 ASP CA C 79 58.492 57.653 0.839 1
1 950 . 18 1 1 A 79 79 ASP CB C 79 41.181 41.679 -0.498 1
1 951 . 18 1 1 A 79 79 ASP N N 79 121.688 119.804 1.884 1
1 952 . 18 1 1 A 80 80 ILE H H 80 8.173 7.964 0.209 1
1 953 . 18 1 1 A 80 80 ILE HA H 80 3.617 3.786 -0.169 1
1 963 . 18 1 1 A 80 80 ILE C C 80 177.849 178.177 -0.328 1
1 964 . 18 1 1 A 80 80 ILE CA C 80 64.758 64.125 0.633 1
1 965 . 18 1 1 A 80 80 ILE CB C 80 39.198 36.807 2.391 1
1 969 . 18 1 1 A 80 80 ILE N N 80 118.125 118.997 -0.872 1
1 970 . 18 1 1 A 81 81 CYS H H 81 7.961 8.132 -0.171 1
1 971 . 18 1 1 A 81 81 CYS HA H 81 4.456 4.140 0.316 1
1 974 . 18 1 1 A 81 81 CYS C C 81 178.812 176.779 2.033 1
1 975 . 18 1 1 A 81 81 CYS CA C 81 63.059 62.390 0.669 1
1 976 . 18 1 1 A 81 81 CYS CB C 81 27.732 27.081 0.651 1
1 977 . 18 1 1 A 81 81 CYS N N 81 116.937 120.943 -4.006 1
1 978 . 18 1 1 A 82 82 VAL H H 82 9.434 8.314 1.120 1
1 979 . 18 1 1 A 82 82 VAL HA H 82 3.476 3.888 -0.412 1
1 987 . 18 1 1 A 82 82 VAL C C 82 176.456 177.750 -1.294 1
1 988 . 18 1 1 A 82 82 VAL CA C 82 66.977 64.905 2.072 1
1 989 . 18 1 1 A 82 82 VAL CB C 82 30.171 31.629 -1.458 1
1 992 . 18 1 1 A 82 82 VAL N N 82 121.688 119.320 2.368 1
1 993 . 18 1 1 A 83 83 SER H H 83 7.541 8.135 -0.594 1
1 994 . 18 1 1 A 83 83 SER HA H 83 3.964 4.817 -0.853 1
1 997 . 18 1 1 A 83 83 SER C C 83 173.661 175.156 -1.495 1
1 998 . 18 1 1 A 83 83 SER CA C 83 61.551 59.002 2.549 1
1 999 . 18 1 1 A 83 83 SER CB C 83 63.239 62.891 0.348 1
1 1000 . 18 1 1 A 83 83 SER N N 83 111.889 117.367 -5.478 1
1 1001 . 18 1 1 A 84 84 SER H H 84 7.471 7.944 -0.473 1
1 1002 . 18 1 1 A 84 84 SER HA H 84 4.530 4.567 -0.037 1
1 1005 . 18 1 1 A 84 84 SER C C 84 174.314 174.073 0.241 1
1 1006 . 18 1 1 A 84 84 SER CA C 84 58.440 57.310 1.130 1
1 1007 . 18 1 1 A 84 84 SER CB C 84 65.929 63.871 2.058 1
1 1008 . 18 1 1 A 84 84 SER N N 84 114.264 115.150 -0.886 1
1 1009 . 18 1 1 A 85 85 MET H H 85 7.441 7.269 0.172 1
1 1010 . 18 1 1 A 85 85 MET HA H 85 4.262 5.506 -1.244 1
1 1015 . 18 1 1 A 85 85 MET C C 85 172.768 174.990 -2.222 1
1 1016 . 18 1 1 A 85 85 MET CA C 85 56.502 54.306 2.196 1
1 1017 . 18 1 1 A 85 85 MET CB C 85 36.378 34.799 1.579 1
1 1019 . 18 1 1 A 85 85 MET N N 85 124.657 120.501 4.156 1
1 1020 . 18 1 1 A 86 86 ARG H H 86 7.045 8.380 -1.335 1
1 1021 . 18 1 1 A 86 86 ARG HA H 86 4.879 4.703 0.176 1
1 1028 . 18 1 1 A 86 86 ARG C C 86 177.468 175.915 1.553 1
1 1029 . 18 1 1 A 86 86 ARG CA C 86 53.395 54.033 -0.638 1
1 1030 . 18 1 1 A 86 86 ARG CB C 86 33.244 33.395 -0.151 1
1 1033 . 18 1 1 A 86 86 ARG N N 86 114.264 120.590 -6.326 1
1 1034 . 18 1 1 A 87 87 LYS H H 87 8.818 8.604 0.214 1
1 1035 . 18 1 1 A 87 87 LYS HA H 87 3.554 3.709 -0.155 1
1 1044 . 18 1 1 A 87 87 LYS C C 87 175.382 177.162 -1.780 1
1 1045 . 18 1 1 A 87 87 LYS CA C 87 60.175 58.365 1.810 1
1 1046 . 18 1 1 A 87 87 LYS CB C 87 33.195 32.381 0.814 1
1 1050 . 18 1 1 A 87 87 LYS N N 87 121.391 125.102 -3.711 1
1 1051 . 18 1 1 A 88 88 ASN H H 88 8.943 7.748 1.195 1
1 1052 . 18 1 1 A 88 88 ASN HA H 88 4.291 4.924 -0.633 1
1 1057 . 18 1 1 A 88 88 ASN C C 88 174.124 173.761 0.363 1
1 1058 . 18 1 1 A 88 88 ASN CA C 88 56.703 53.001 3.702 1
1 1059 . 18 1 1 A 88 88 ASN CB C 88 36.677 39.624 -2.947 1
1 1060 . 18 1 1 A 88 88 ASN N N 88 116.640 114.648 1.992 1
1 1062 . 18 1 1 A 89 89 GLU H H 89 8.677 7.441 1.236 1
1 1063 . 18 1 1 A 89 89 GLU HA H 89 4.358 5.045 -0.687 1
1 1068 . 18 1 1 A 89 89 GLU C C 89 174.903 174.375 0.528 1
1 1069 . 18 1 1 A 89 89 GLU CA C 89 56.190 54.681 1.509 1
1 1070 . 18 1 1 A 89 89 GLU CB C 89 33.096 33.350 -0.254 1
1 1072 . 18 1 1 A 89 89 GLU N N 89 122.876 120.640 2.236 1
1 1073 . 18 1 1 A 90 90 LYS H H 90 8.580 8.657 -0.077 1
1 1074 . 18 1 1 A 90 90 LYS HA H 90 5.542 4.891 0.651 1
1 1083 . 18 1 1 A 90 90 LYS C C 90 175.593 174.903 0.690 1
1 1084 . 18 1 1 A 90 90 LYS CA C 90 54.210 55.880 -1.670 1
1 1085 . 18 1 1 A 90 90 LYS CB C 90 36.189 35.900 0.289 1
1 1089 . 18 1 1 A 90 90 LYS N N 90 123.469 124.350 -0.881 1
1 1090 . 18 1 1 A 91 91 CYS H H 91 9.673 8.518 1.155 1
1 1091 . 18 1 1 A 91 91 CYS HA H 91 5.524 5.186 0.338 1
1 1094 . 18 1 1 A 91 91 CYS C C 91 170.527 172.451 -1.924 1
1 1095 . 18 1 1 A 91 91 CYS CA C 91 54.690 56.384 -1.694 1
1 1096 . 18 1 1 A 91 91 CYS CB C 91 32.542 32.515 0.027 1
1 1097 . 18 1 1 A 91 91 CYS N N 91 122.579 124.765 -2.186 1
1 1098 . 18 1 1 A 92 92 LEU H H 92 8.984 8.572 0.412 1
1 1099 . 18 1 1 A 92 92 LEU HA H 92 5.458 5.190 0.268 1
1 1109 . 18 1 1 A 92 92 LEU C C 92 175.596 175.081 0.515 1
1 1110 . 18 1 1 A 92 92 LEU CA C 92 53.413 53.515 -0.102 1
1 1111 . 18 1 1 A 92 92 LEU CB C 92 44.972 44.451 0.521 1
1 1115 . 18 1 1 A 92 92 LEU N N 92 122.282 119.795 2.487 1
1 1116 . 18 1 1 A 93 93 VAL H H 93 10.107 9.010 1.097 1
1 1117 . 18 1 1 A 93 93 VAL HA H 93 5.506 4.911 0.595 1
1 1125 . 18 1 1 A 93 93 VAL C C 93 171.051 173.754 -2.703 1
1 1126 . 18 1 1 A 93 93 VAL CA C 93 58.200 59.532 -1.332 1
1 1127 . 18 1 1 A 93 93 VAL CB C 93 35.276 34.654 0.622 1
1 1130 . 18 1 1 A 93 93 VAL N N 93 126.224 124.682 1.542 1
1 1131 . 18 1 1 A 94 94 ARG H H 94 8.949 9.044 -0.095 1
1 1132 . 18 1 1 A 94 94 ARG HA H 94 5.133 4.804 0.329 1
1 1139 . 18 1 1 A 94 94 ARG C C 94 175.823 174.906 0.917 1
1 1140 . 18 1 1 A 94 94 ARG CA C 94 56.219 55.138 1.081 1
1 1141 . 18 1 1 A 94 94 ARG CB C 94 32.039 31.478 0.561 1
1 1144 . 18 1 1 A 94 94 ARG N N 94 130.596 126.858 3.738 1
1 1145 . 18 1 1 A 95 95 ILE H H 95 9.655 8.837 0.818 1
1 1146 . 18 1 1 A 95 95 ILE HA H 95 4.899 4.579 0.320 1
1 1156 . 18 1 1 A 95 95 ILE C C 95 175.215 175.216 -0.001 1
1 1157 . 18 1 1 A 95 95 ILE CA C 95 60.582 60.344 0.238 1
1 1158 . 18 1 1 A 95 95 ILE CB C 95 37.359 37.856 -0.497 1
1 1162 . 18 1 1 A 95 95 ILE N N 95 129.905 127.112 2.793 1
1 1163 . 18 1 1 A 96 96 GLU H H 96 9.213 8.677 0.536 1
1 1164 . 18 1 1 A 96 96 GLU HA H 96 4.320 4.462 -0.142 1
1 1169 . 18 1 1 A 96 96 GLU C C 96 177.897 177.266 0.631 1
1 1170 . 18 1 1 A 96 96 GLU CA C 96 57.568 55.465 2.103 1
1 1171 . 18 1 1 A 96 96 GLU CB C 96 29.676 31.180 -1.504 1
1 1173 . 18 1 1 A 96 96 GLU N N 96 126.439 128.890 -2.451 1
1 1174 . 18 1 1 A 97 97 SER H H 97 8.693 8.682 0.011 1
1 1175 . 18 1 1 A 97 97 SER HA H 97 4.370 4.088 0.282 1
1 1178 . 18 1 1 A 97 97 SER C C 97 178.668 175.807 2.861 1
1 1179 . 18 1 1 A 97 97 SER CA C 97 62.800 61.639 1.161 1
1 1180 . 18 1 1 A 97 97 SER CB C 97 64.591 62.942 1.649 1
1 1181 . 18 1 1 A 97 97 SER N N 97 115.749 119.105 -3.356 1
1 1182 . 18 1 1 A 98 98 MET H H 98 8.937 8.184 0.753 1
1 1183 . 18 1 1 A 98 98 MET HA H 98 4.170 4.240 -0.070 1
1 1188 . 18 1 1 A 98 98 MET C C 98 179.250 176.286 2.964 1
1 1189 . 18 1 1 A 98 98 MET CA C 98 58.702 56.975 1.727 1
1 1190 . 18 1 1 A 98 98 MET CB C 98 31.047 32.011 -0.964 1
1 1192 . 18 1 1 A 98 98 MET N N 98 121.985 119.080 2.905 1
1 1193 . 18 1 1 A 99 99 TYR H H 99 7.927 7.917 0.010 1
1 1194 . 18 1 1 A 99 99 TYR HA H 99 4.435 4.553 -0.118 1
1 1201 . 18 1 1 A 99 99 TYR C C 99 173.125 175.574 -2.449 1
1 1202 . 18 1 1 A 99 99 TYR CA C 99 58.064 58.251 -0.187 1
1 1203 . 18 1 1 A 99 99 TYR CB C 99 39.570 38.828 0.742 1
1 1204 . 18 1 1 A 99 99 TYR N N 99 116.640 118.084 -1.444 1
1 1205 . 18 1 1 A 100 100 GLY H H 100 7.802 7.634 0.168 1
1 1206 . 18 1 1 A 100 100 GLY HA2 H 100 3.223 4.128 -0.905 1
1 1207 . 18 1 1 A 100 100 GLY HA3 H 100 4.309 4.182 0.127 1
1 1208 . 18 1 1 A 100 100 GLY C C 100 173.213 174.548 -1.335 1
1 1209 . 18 1 1 A 100 100 GLY CA C 100 45.062 44.512 0.550 1
1 1210 . 18 1 1 A 100 100 GLY N N 100 110.998 107.251 3.747 1
1 1211 . 18 1 1 A 101 101 TYR H H 101 9.407 8.835 0.572 1
1 1212 . 18 1 1 A 101 101 TYR HA H 101 4.443 4.454 -0.011 1
1 1219 . 18 1 1 A 101 101 TYR C C 101 176.014 176.016 -0.002 1
1 1220 . 18 1 1 A 101 101 TYR CA C 101 58.944 61.092 -2.148 1
1 1221 . 18 1 1 A 101 101 TYR CB C 101 37.732 39.017 -1.285 1
1 1222 . 18 1 1 A 101 101 TYR N N 101 126.439 118.052 8.387 1
1 1223 . 18 1 1 A 102 102 GLY H H 102 8.231 7.747 0.484 1
1 1224 . 18 1 1 A 102 102 GLY HA2 H 102 4.001 4.160 -0.159 1
1 1225 . 18 1 1 A 102 102 GLY HA3 H 102 3.715 4.165 -0.450 1
1 1226 . 18 1 1 A 102 102 GLY C C 102 175.685 174.454 1.231 1
1 1227 . 18 1 1 A 102 102 GLY CA C 102 46.447 43.991 2.456 1
1 1228 . 18 1 1 A 102 102 GLY N N 102 107.138 105.472 1.666 1
1 1229 . 18 1 1 A 103 103 ASP H H 103 8.983 9.004 -0.021 1
1 1230 . 18 1 1 A 103 103 ASP HA H 103 4.277 4.345 -0.068 1
1 1233 . 18 1 1 A 103 103 ASP C C 103 176.677 177.259 -0.582 1
1 1234 . 18 1 1 A 103 103 ASP CA C 103 56.352 57.324 -0.972 1
1 1235 . 18 1 1 A 103 103 ASP CB C 103 40.640 40.782 -0.142 1
1 1236 . 18 1 1 A 103 103 ASP N N 103 124.954 122.694 2.260 1
1 1237 . 18 1 1 A 104 104 GLU H H 104 8.552 7.930 0.622 1
1 1238 . 18 1 1 A 104 104 GLU HA H 104 4.139 4.129 0.010 1
1 1243 . 18 1 1 A 104 104 GLU C C 104 179.142 177.222 1.920 1
1 1244 . 18 1 1 A 104 104 GLU CA C 104 58.100 58.746 -0.646 1
1 1245 . 18 1 1 A 104 104 GLU CB C 104 30.076 29.654 0.422 1
1 1247 . 18 1 1 A 104 104 GLU N N 104 117.531 118.513 -0.982 1
1 1248 . 18 1 1 A 105 105 GLY H H 105 7.188 7.481 -0.293 1
1 1249 . 18 1 1 A 105 105 GLY HA2 H 105 3.137 3.970 -0.833 1
1 1250 . 18 1 1 A 105 105 GLY HA3 H 105 4.012 4.049 -0.037 1
1 1251 . 18 1 1 A 105 105 GLY C C 105 171.730 172.906 -1.176 1
1 1252 . 18 1 1 A 105 105 GLY CA C 105 44.214 44.755 -0.541 1
1 1253 . 18 1 1 A 105 105 GLY N N 105 104.168 108.213 -4.045 1
1 1254 . 18 1 1 A 106 106 CYS H H 106 9.026 8.392 0.634 1
1 1255 . 18 1 1 A 106 106 CYS HA H 106 4.253 4.491 -0.238 1
1 1258 . 18 1 1 A 106 106 CYS C C 106 173.438 175.692 -2.254 1
1 1259 . 18 1 1 A 106 106 CYS CA C 106 57.814 59.764 -1.950 1
1 1260 . 18 1 1 A 106 106 CYS CB C 106 26.162 27.412 -1.250 1
1 1261 . 18 1 1 A 106 106 CYS N N 106 121.949 118.200 3.749 1
1 1262 . 18 1 1 A 107 107 GLY H H 107 8.584 8.584 0.000 1
1 1263 . 18 1 1 A 107 107 GLY HA2 H 107 3.706 4.494 -0.788 1
1 1264 . 18 1 1 A 107 107 GLY HA3 H 107 3.954 4.498 -0.544 1
1 1265 . 18 1 1 A 107 107 GLY C C 107 173.461 174.847 -1.386 1
1 1266 . 18 1 1 A 107 107 GLY CA C 107 45.258 43.834 1.424 1
1 1267 . 18 1 1 A 107 107 GLY N N 107 114.561 111.954 2.607 1
1 1268 . 18 1 1 A 108 108 GLU H H 108 8.503 9.006 -0.503 1
1 1269 . 18 1 1 A 108 108 GLU HA H 108 4.051 4.022 0.029 1
1 1274 . 18 1 1 A 108 108 GLU C C 108 178.118 178.200 -0.082 1
1 1275 . 18 1 1 A 108 108 GLU CA C 108 57.478 59.367 -1.889 1
1 1276 . 18 1 1 A 108 108 GLU CB C 108 29.835 30.203 -0.368 1
1 1278 . 18 1 1 A 108 108 GLU N N 108 119.609 120.473 -0.864 1
1 1279 . 18 1 1 A 109 109 SER H H 109 8.082 7.834 0.248 1
1 1280 . 18 1 1 A 109 109 SER HA H 109 4.127 4.355 -0.228 1
1 1283 . 18 1 1 A 109 109 SER C C 109 173.569 174.477 -0.908 1
1 1284 . 18 1 1 A 109 109 SER CA C 109 60.141 60.062 0.079 1
1 1285 . 18 1 1 A 109 109 SER CB C 109 63.935 63.526 0.409 1
1 1286 . 18 1 1 A 109 109 SER N N 109 112.186 113.803 -1.617 1
1 1287 . 18 1 1 A 110 110 ILE H H 110 6.570 7.729 -1.159 1
1 1288 . 18 1 1 A 110 110 ILE HA H 110 4.235 4.568 -0.333 1
1 1298 . 18 1 1 A 110 110 ILE CA C 110 58.031 58.106 -0.075 1
1 1299 . 18 1 1 A 110 110 ILE CB C 110 39.086 38.320 0.766 1
1 1303 . 18 1 1 A 110 110 ILE N N 110 116.937 115.122 1.815 1
1 1304 . 18 1 1 A 111 111 PRO HA H 111 4.510 4.775 -0.265 1
1 1311 . 18 1 1 A 111 111 PRO C C 111 179.076 176.130 2.946 1
1 1312 . 18 1 1 A 111 111 PRO CA C 111 61.703 62.973 -1.270 1
1 1313 . 18 1 1 A 111 111 PRO CB C 111 32.729 33.215 -0.486 1
1 1316 . 18 1 1 A 112 112 GLY H H 112 9.018 8.306 0.712 1
1 1317 . 18 1 1 A 112 112 GLY HA2 H 112 3.461 4.250 -0.789 1
1 1318 . 18 1 1 A 112 112 GLY HA3 H 112 3.714 4.254 -0.540 1
1 1319 . 18 1 1 A 112 112 GLY C C 112 172.723 173.441 -0.718 1
1 1320 . 18 1 1 A 112 112 GLY CA C 112 46.262 45.129 1.133 1
1 1321 . 18 1 1 A 112 112 GLY N N 112 111.592 107.078 4.514 1
1 1322 . 18 1 1 A 113 113 ASN H H 113 8.381 8.498 -0.117 1
1 1323 . 18 1 1 A 113 113 ASN HA H 113 4.278 4.924 -0.646 1
1 1328 . 18 1 1 A 113 113 ASN C C 113 174.643 174.791 -0.148 1
1 1329 . 18 1 1 A 113 113 ASN CA C 113 54.388 52.440 1.948 1
1 1330 . 18 1 1 A 113 113 ASN CB C 113 37.204 39.182 -1.978 1
1 1331 . 18 1 1 A 113 113 ASN N N 113 116.937 124.208 -7.271 1
1 1333 . 18 1 1 A 114 114 SER H H 114 7.617 7.621 -0.004 1
1 1334 . 18 1 1 A 114 114 SER HA H 114 4.517 5.073 -0.556 1
1 1337 . 18 1 1 A 114 114 SER C C 114 172.904 172.965 -0.061 1
1 1338 . 18 1 1 A 114 114 SER CA C 114 59.864 56.182 3.682 1
1 1339 . 18 1 1 A 114 114 SER CB C 114 64.678 65.745 -1.067 1
1 1340 . 18 1 1 A 114 114 SER N N 114 113.077 112.630 0.447 1
1 1341 . 18 1 1 A 115 115 VAL H H 115 8.500 8.601 -0.101 1
1 1342 . 18 1 1 A 115 115 VAL HA H 115 4.341 5.370 -1.029 1
1 1350 . 18 1 1 A 115 115 VAL C C 115 176.075 174.049 2.026 1
1 1351 . 18 1 1 A 115 115 VAL CA C 115 62.705 59.914 2.791 1
1 1352 . 18 1 1 A 115 115 VAL CB C 115 31.546 34.229 -2.683 1
1 1355 . 18 1 1 A 115 115 VAL N N 115 124.360 121.015 3.345 1
1 1356 . 18 1 1 A 116 116 LEU H H 116 9.104 9.077 0.027 1
1 1357 . 18 1 1 A 116 116 LEU HA H 116 5.002 4.855 0.147 1
1 1367 . 18 1 1 A 116 116 LEU C C 116 174.923 175.709 -0.786 1
1 1368 . 18 1 1 A 116 116 LEU CA C 116 53.123 53.106 0.017 1
1 1369 . 18 1 1 A 116 116 LEU CB C 116 45.379 45.381 -0.002 1
1 1373 . 18 1 1 A 116 116 LEU N N 116 128.814 129.679 -0.865 1
1 1374 . 18 1 1 A 117 117 LEU H H 117 9.009 8.267 0.742 1
1 1375 . 18 1 1 A 117 117 LEU HA H 117 5.601 5.111 0.490 1
1 1385 . 18 1 1 A 117 117 LEU C C 117 176.574 175.184 1.390 1
1 1386 . 18 1 1 A 117 117 LEU CA C 117 52.750 53.345 -0.595 1
1 1387 . 18 1 1 A 117 117 LEU CB C 117 44.693 44.958 -0.265 1
1 1391 . 18 1 1 A 117 117 LEU N N 117 121.391 120.809 0.582 1
1 1392 . 18 1 1 A 118 118 PHE H H 118 9.375 8.802 0.573 1
1 1393 . 18 1 1 A 118 118 PHE HA H 118 6.155 5.275 0.880 1
1 1401 . 18 1 1 A 118 118 PHE C C 118 176.518 175.458 1.060 1
1 1402 . 18 1 1 A 118 118 PHE CA C 118 55.411 56.416 -1.005 1
1 1403 . 18 1 1 A 118 118 PHE CB C 118 42.385 42.539 -0.154 1
1 1404 . 18 1 1 A 118 118 PHE N N 118 117.531 121.742 -4.211 1
1 1405 . 18 1 1 A 119 119 GLU H H 119 8.905 9.588 -0.683 1
1 1406 . 18 1 1 A 119 119 GLU HA H 119 5.604 4.645 0.959 1
1 1411 . 18 1 1 A 119 119 GLU C C 119 175.947 175.989 -0.042 1
1 1412 . 18 1 1 A 119 119 GLU CA C 119 60.489 56.996 3.493 1
1 1413 . 18 1 1 A 119 119 GLU CB C 119 31.189 30.327 0.862 1
1 1415 . 18 1 1 A 119 119 GLU N N 119 122.876 123.621 -0.745 1
1 1416 . 18 1 1 A 120 120 ILE H H 120 8.912 8.992 -0.080 1
1 1417 . 18 1 1 A 120 120 ILE HA H 120 4.965 5.124 -0.159 1
1 1427 . 18 1 1 A 120 120 ILE C C 120 173.341 174.115 -0.774 1
1 1428 . 18 1 1 A 120 120 ILE CA C 120 60.568 60.274 0.294 1
1 1429 . 18 1 1 A 120 120 ILE CB C 120 41.927 39.024 2.903 1
1 1433 . 18 1 1 A 120 120 ILE N N 120 123.000 126.300 -3.300 1
1 1434 . 18 1 1 A 121 121 GLU H H 121 9.074 9.054 0.020 1
1 1435 . 18 1 1 A 121 121 GLU HA H 121 5.445 5.051 0.394 1
1 1440 . 18 1 1 A 121 121 GLU C C 121 175.254 174.642 0.612 1
1 1441 . 18 1 1 A 121 121 GLU CA C 121 53.941 54.565 -0.624 1
1 1442 . 18 1 1 A 121 121 GLU CB C 121 33.897 32.425 1.472 1
1 1444 . 18 1 1 A 121 121 GLU N N 121 128.221 128.806 -0.585 1
1 1445 . 18 1 1 A 122 122 LEU H H 122 8.112 8.678 -0.566 1
1 1446 . 18 1 1 A 122 122 LEU HA H 122 4.680 4.380 0.300 1
1 1456 . 18 1 1 A 122 122 LEU C C 122 174.472 176.875 -2.403 1
1 1457 . 18 1 1 A 122 122 LEU CA C 122 54.403 54.234 0.169 1
1 1458 . 18 1 1 A 122 122 LEU CB C 122 40.796 40.987 -0.191 1
1 1462 . 18 1 1 A 122 122 LEU N N 122 127.033 128.289 -1.256 1
1 1463 . 18 1 1 A 123 123 LEU H H 123 8.704 8.208 0.496 1
1 1464 . 18 1 1 A 123 123 LEU HA H 123 4.385 4.423 -0.038 1
1 1474 . 18 1 1 A 123 123 LEU C C 123 177.614 176.873 0.741 1
1 1475 . 18 1 1 A 123 123 LEU CA C 123 57.095 55.509 1.586 1
1 1476 . 18 1 1 A 123 123 LEU CB C 123 42.226 42.459 -0.233 1
1 1480 . 18 1 1 A 123 123 LEU N N 123 128.814 123.343 5.471 1
1 1481 . 18 1 1 A 124 124 SER H H 124 7.602 7.167 0.435 1
1 1482 . 18 1 1 A 124 124 SER HA H 124 4.161 5.056 -0.895 1
1 1485 . 18 1 1 A 124 124 SER C C 124 171.375 172.683 -1.308 1
1 1486 . 18 1 1 A 124 124 SER CA C 124 57.545 57.897 -0.352 1
1 1487 . 18 1 1 A 124 124 SER CB C 124 63.359 66.825 -3.466 1
1 1488 . 18 1 1 A 124 124 SER N N 124 105.653 113.992 -8.339 1
1 1489 . 18 1 1 A 125 125 PHE H H 125 7.818 9.100 -1.282 1
1 1490 . 18 1 1 A 125 125 PHE HA H 125 5.451 5.355 0.096 1
1 1498 . 18 1 1 A 125 125 PHE C C 125 173.154 173.340 -0.186 1
1 1499 . 18 1 1 A 125 125 PHE CA C 125 56.463 56.329 0.134 1
1 1500 . 18 1 1 A 125 125 PHE CB C 125 42.301 41.087 1.214 1
1 1501 . 18 1 1 A 125 125 PHE N N 125 113.373 120.156 -6.783 1
1 1502 . 18 1 1 A 126 126 ARG H H 126 8.934 8.838 0.096 1
1 1503 . 18 1 1 A 126 126 ARG HA H 126 4.693 4.660 0.033 1
1 1510 . 18 1 1 A 126 126 ARG C C 126 174.013 173.910 0.103 1
1 1511 . 18 1 1 A 126 126 ARG CA C 126 54.654 54.320 0.334 1
1 1512 . 18 1 1 A 126 126 ARG CB C 126 33.064 34.358 -1.294 1
1 1515 . 18 1 1 A 126 126 ARG N N 126 116.046 117.585 -1.539 1
1 1516 . 18 1 1 A 127 127 GLU H H 127 8.665 8.589 0.076 1
1 1517 . 18 1 1 A 127 127 GLU HA H 127 4.436 5.063 -0.627 1
1 1522 . 18 1 1 A 127 127 GLU C C 127 176.050 174.449 1.601 1
1 1523 . 18 1 1 A 127 127 GLU CA C 127 55.552 54.405 1.147 1
1 1524 . 18 1 1 A 127 127 GLU CB C 127 30.600 33.837 -3.237 1
1 1 . 19 1 1 A 2 2 THR HA H 2 4.479 4.314 0.165 1
1 6 . 19 1 1 A 2 2 THR C C 2 174.348 173.822 0.526 1
1 7 . 19 1 1 A 2 2 THR CA C 2 61.838 63.227 -1.389 1
1 8 . 19 1 1 A 2 2 THR CB C 2 69.919 68.894 1.025 1
1 10 . 19 1 1 A 3 3 THR H H 3 8.289 8.956 -0.667 1
1 11 . 19 1 1 A 3 3 THR HA H 3 4.282 4.259 0.023 1
1 16 . 19 1 1 A 3 3 THR C C 3 174.404 174.473 -0.069 1
1 17 . 19 1 1 A 3 3 THR CA C 3 62.140 63.895 -1.755 1
1 18 . 19 1 1 A 3 3 THR CB C 3 69.658 69.289 0.369 1
1 20 . 19 1 1 A 3 3 THR N N 3 116.640 122.230 -5.590 1
1 21 . 19 1 1 A 4 4 GLU H H 4 8.567 7.828 0.739 1
1 22 . 19 1 1 A 4 4 GLU HA H 4 4.156 4.765 -0.609 1
1 27 . 19 1 1 A 4 4 GLU C C 4 176.216 174.322 1.894 1
1 28 . 19 1 1 A 4 4 GLU CA C 4 56.929 54.909 2.020 1
1 29 . 19 1 1 A 4 4 GLU CB C 4 29.821 33.325 -3.504 1
1 31 . 19 1 1 A 4 4 GLU N N 4 123.469 116.936 6.533 1
1 32 . 19 1 1 A 5 5 GLN H H 5 8.222 8.401 -0.179 1
1 33 . 19 1 1 A 5 5 GLN HA H 5 4.167 4.238 -0.071 1
1 40 . 19 1 1 A 5 5 GLN C C 5 175.216 173.972 1.244 1
1 41 . 19 1 1 A 5 5 GLN CA C 5 55.674 55.309 0.365 1
1 42 . 19 1 1 A 5 5 GLN CB C 5 29.553 27.893 1.660 1
1 45 . 19 1 1 A 5 5 GLN N N 5 120.797 123.089 -2.292 1
1 47 . 19 1 1 A 6 6 GLU H H 6 8.171 8.119 0.052 1
1 48 . 19 1 1 A 6 6 GLU HA H 6 4.080 4.541 -0.461 1
1 53 . 19 1 1 A 6 6 GLU C C 6 175.870 174.598 1.272 1
1 54 . 19 1 1 A 6 6 GLU CA C 6 56.400 55.047 1.353 1
1 55 . 19 1 1 A 6 6 GLU CB C 6 30.335 29.534 0.801 1
1 57 . 19 1 1 A 6 6 GLU N N 6 122.100 126.122 -4.022 1
1 58 . 19 1 1 A 7 7 PHE H H 7 8.051 8.984 -0.933 1
1 59 . 19 1 1 A 7 7 PHE HA H 7 4.710 5.049 -0.339 1
1 67 . 19 1 1 A 7 7 PHE C C 7 175.461 174.937 0.524 1
1 68 . 19 1 1 A 7 7 PHE CA C 7 56.825 56.407 0.418 1
1 69 . 19 1 1 A 7 7 PHE CB C 7 39.812 42.866 -3.054 1
1 70 . 19 1 1 A 7 7 PHE N N 7 120.500 126.176 -5.676 1
1 71 . 19 1 1 A 8 8 GLU H H 8 8.626 8.803 -0.177 1
1 72 . 19 1 1 A 8 8 GLU HA H 8 4.193 4.603 -0.410 1
1 77 . 19 1 1 A 8 8 GLU C C 8 176.141 175.849 0.292 1
1 78 . 19 1 1 A 8 8 GLU CA C 8 56.932 56.421 0.511 1
1 79 . 19 1 1 A 8 8 GLU CB C 8 30.794 30.852 -0.058 1
1 81 . 19 1 1 A 8 8 GLU N N 8 123.469 122.957 0.512 1
1 82 . 19 1 1 A 9 9 LYS H H 9 8.396 8.592 -0.196 1
1 83 . 19 1 1 A 9 9 LYS HA H 9 5.100 4.983 0.117 1
1 92 . 19 1 1 A 9 9 LYS C C 9 176.168 175.186 0.982 1
1 93 . 19 1 1 A 9 9 LYS CA C 9 55.428 54.546 0.882 1
1 94 . 19 1 1 A 9 9 LYS CB C 9 34.214 35.892 -1.678 1
1 98 . 19 1 1 A 9 9 LYS N N 9 124.954 125.021 -0.067 1
1 99 . 19 1 1 A 10 10 VAL H H 10 9.445 8.387 1.058 1
1 100 . 19 1 1 A 10 10 VAL HA H 10 4.278 4.631 -0.353 1
1 108 . 19 1 1 A 10 10 VAL C C 10 174.967 174.926 0.041 1
1 109 . 19 1 1 A 10 10 VAL CA C 10 60.951 61.468 -0.517 1
1 110 . 19 1 1 A 10 10 VAL CB C 10 34.681 33.387 1.294 1
1 113 . 19 1 1 A 10 10 VAL N N 10 124.360 121.968 2.392 1
1 114 . 19 1 1 A 11 11 GLU H H 11 9.021 8.883 0.138 1
1 115 . 19 1 1 A 11 11 GLU HA H 11 4.369 4.777 -0.408 1
1 120 . 19 1 1 A 11 11 GLU C C 11 174.797 176.353 -1.556 1
1 121 . 19 1 1 A 11 11 GLU CA C 11 56.728 55.115 1.613 1
1 122 . 19 1 1 A 11 11 GLU CB C 11 28.655 30.169 -1.514 1
1 124 . 19 1 1 A 11 11 GLU N N 11 127.924 126.720 1.204 1
1 125 . 19 1 1 A 12 12 LEU H H 12 8.396 8.605 -0.209 1
1 126 . 19 1 1 A 12 12 LEU HA H 12 4.311 3.879 0.432 1
1 136 . 19 1 1 A 12 12 LEU C C 12 176.600 175.335 1.265 1
1 137 . 19 1 1 A 12 12 LEU CA C 12 55.292 55.763 -0.471 1
1 138 . 19 1 1 A 12 12 LEU CB C 12 42.624 40.594 2.030 1
1 142 . 19 1 1 A 12 12 LEU N N 12 124.954 122.574 2.380 1
1 143 . 19 1 1 A 13 13 THR H H 13 7.328 7.943 -0.615 1
1 144 . 19 1 1 A 13 13 THR HA H 13 4.530 4.586 -0.056 1
1 149 . 19 1 1 A 13 13 THR C C 13 175.180 175.445 -0.265 1
1 150 . 19 1 1 A 13 13 THR CA C 13 59.603 60.982 -1.379 1
1 151 . 19 1 1 A 13 13 THR CB C 13 70.742 70.274 0.468 1
1 153 . 19 1 1 A 13 13 THR N N 13 106.841 112.743 -5.902 1
1 154 . 19 1 1 A 14 14 ALA H H 14 8.689 8.982 -0.293 1
1 155 . 19 1 1 A 14 14 ALA HA H 14 4.247 4.133 0.114 1
1 159 . 19 1 1 A 14 14 ALA C C 14 177.522 177.736 -0.214 1
1 160 . 19 1 1 A 14 14 ALA CA C 14 53.875 53.769 0.106 1
1 161 . 19 1 1 A 14 14 ALA CB C 14 17.920 18.678 -0.758 1
1 162 . 19 1 1 A 14 14 ALA N N 14 123.733 128.346 -4.613 1
1 163 . 19 1 1 A 15 15 ASP H H 15 7.516 7.438 0.078 1
1 164 . 19 1 1 A 15 15 ASP HA H 15 4.518 4.719 -0.201 1
1 167 . 19 1 1 A 15 15 ASP C C 15 177.402 176.191 1.211 1
1 168 . 19 1 1 A 15 15 ASP CA C 15 52.635 53.907 -1.272 1
1 169 . 19 1 1 A 15 15 ASP CB C 15 40.912 41.120 -0.208 1
1 170 . 19 1 1 A 15 15 ASP N N 15 113.967 116.960 -2.993 1
1 171 . 19 1 1 A 16 16 GLY H H 16 7.986 7.471 0.515 1
1 172 . 19 1 1 A 16 16 GLY HA2 H 16 4.080 3.996 0.084 1
1 173 . 19 1 1 A 16 16 GLY HA3 H 16 3.529 4.013 -0.484 1
1 174 . 19 1 1 A 16 16 GLY C C 16 175.233 175.339 -0.106 1
1 175 . 19 1 1 A 16 16 GLY CA C 16 45.798 44.962 0.836 1
1 176 . 19 1 1 A 16 16 GLY N N 16 108.919 106.610 2.309 1
1 177 . 19 1 1 A 17 17 GLY H H 17 8.681 8.764 -0.083 1
1 178 . 19 1 1 A 17 17 GLY HA2 H 17 4.513 3.908 0.605 1
1 179 . 19 1 1 A 17 17 GLY HA3 H 17 4.513 3.919 0.594 1
1 180 . 19 1 1 A 17 17 GLY C C 17 172.684 174.090 -1.406 1
1 181 . 19 1 1 A 17 17 GLY CA C 17 46.672 47.003 -0.331 1
1 182 . 19 1 1 A 17 17 GLY N N 17 108.663 107.576 1.087 1
1 183 . 19 1 1 A 18 18 VAL H H 18 6.903 7.455 -0.552 1
1 184 . 19 1 1 A 18 18 VAL HA H 18 4.855 4.400 0.455 1
1 192 . 19 1 1 A 18 18 VAL C C 18 174.737 174.701 0.036 1
1 193 . 19 1 1 A 18 18 VAL CA C 18 62.035 60.454 1.581 1
1 194 . 19 1 1 A 18 18 VAL CB C 18 33.315 35.311 -1.996 1
1 197 . 19 1 1 A 18 18 VAL N N 18 117.234 118.440 -1.206 1
1 198 . 19 1 1 A 19 19 ILE H H 19 8.243 8.483 -0.240 1
1 199 . 19 1 1 A 19 19 ILE HA H 19 4.665 4.558 0.107 1
1 209 . 19 1 1 A 19 19 ILE C C 19 174.360 175.385 -1.025 1
1 210 . 19 1 1 A 19 19 ILE CA C 19 60.736 60.778 -0.042 1
1 211 . 19 1 1 A 19 19 ILE CB C 19 41.856 36.975 4.881 1
1 215 . 19 1 1 A 19 19 ILE N N 19 126.439 127.208 -0.769 1
1 216 . 19 1 1 A 20 20 LYS H H 20 9.345 8.431 0.914 1
1 217 . 19 1 1 A 20 20 LYS HA H 20 5.296 5.095 0.201 1
1 226 . 19 1 1 A 20 20 LYS C C 20 173.618 174.581 -0.963 1
1 227 . 19 1 1 A 20 20 LYS CA C 20 54.842 54.486 0.356 1
1 228 . 19 1 1 A 20 20 LYS CB C 20 36.261 36.023 0.238 1
1 232 . 19 1 1 A 20 20 LYS N N 20 129.408 124.602 4.806 1
1 233 . 19 1 1 A 21 21 THR H H 21 9.597 9.185 0.412 1
1 234 . 19 1 1 A 21 21 THR HA H 21 4.923 4.865 0.058 1
1 239 . 19 1 1 A 21 21 THR C C 21 174.648 173.173 1.475 1
1 240 . 19 1 1 A 21 21 THR CA C 21 61.703 61.815 -0.112 1
1 241 . 19 1 1 A 21 21 THR CB C 21 70.230 71.076 -0.846 1
1 243 . 19 1 1 A 21 21 THR N N 21 123.469 116.334 7.135 1
1 244 . 19 1 1 A 22 22 ILE H H 22 9.248 8.825 0.423 1
1 245 . 19 1 1 A 22 22 ILE HA H 22 3.637 4.216 -0.579 1
1 255 . 19 1 1 A 22 22 ILE C C 22 174.348 174.947 -0.599 1
1 256 . 19 1 1 A 22 22 ILE CA C 22 64.258 61.574 2.684 1
1 257 . 19 1 1 A 22 22 ILE CB C 22 37.551 38.480 -0.929 1
1 261 . 19 1 1 A 22 22 ILE N N 22 128.517 127.418 1.099 1
1 262 . 19 1 1 A 23 23 LEU H H 23 8.498 8.923 -0.425 1
1 263 . 19 1 1 A 23 23 LEU HA H 23 4.180 3.749 0.431 1
1 273 . 19 1 1 A 23 23 LEU C C 23 177.521 176.701 0.820 1
1 274 . 19 1 1 A 23 23 LEU CA C 23 55.460 55.734 -0.274 1
1 275 . 19 1 1 A 23 23 LEU CB C 23 42.239 42.748 -0.509 1
1 279 . 19 1 1 A 23 23 LEU N N 23 128.517 129.936 -1.419 1
1 280 . 19 1 1 A 24 24 LYS H H 24 8.020 8.112 -0.092 1
1 281 . 19 1 1 A 24 24 LYS HA H 24 4.392 4.701 -0.309 1
1 290 . 19 1 1 A 24 24 LYS C C 24 174.465 174.650 -0.185 1
1 291 . 19 1 1 A 24 24 LYS CA C 24 55.848 54.630 1.218 1
1 292 . 19 1 1 A 24 24 LYS CB C 24 35.692 34.164 1.528 1
1 296 . 19 1 1 A 24 24 LYS N N 24 120.797 117.632 3.165 1
1 297 . 19 1 1 A 25 25 LYS H H 25 8.657 8.912 -0.255 1
1 298 . 19 1 1 A 25 25 LYS HA H 25 4.178 4.665 -0.487 1
1 307 . 19 1 1 A 25 25 LYS C C 25 177.616 176.290 1.326 1
1 308 . 19 1 1 A 25 25 LYS CA C 25 57.218 55.569 1.649 1
1 309 . 19 1 1 A 25 25 LYS CB C 25 32.846 33.703 -0.857 1
1 313 . 19 1 1 A 25 25 LYS N N 25 126.439 128.018 -1.579 1
1 314 . 19 1 1 A 26 26 GLY H H 26 9.728 9.288 0.440 1
1 315 . 19 1 1 A 26 26 GLY HA2 H 26 3.408 4.104 -0.696 1
1 316 . 19 1 1 A 26 26 GLY HA3 H 26 4.120 4.109 0.011 1
1 317 . 19 1 1 A 26 26 GLY C C 26 173.278 174.476 -1.198 1
1 318 . 19 1 1 A 26 26 GLY CA C 26 43.709 45.028 -1.319 1
1 319 . 19 1 1 A 26 26 GLY N N 26 110.404 113.046 -2.642 1
1 320 . 19 1 1 A 27 27 ASP H H 27 8.550 8.693 -0.143 1
1 321 . 19 1 1 A 27 27 ASP HA H 27 4.401 4.425 -0.024 1
1 324 . 19 1 1 A 27 27 ASP C C 27 175.993 176.263 -0.270 1
1 325 . 19 1 1 A 27 27 ASP CA C 27 55.105 56.818 -1.713 1
1 326 . 19 1 1 A 27 27 ASP CB C 27 41.688 41.432 0.256 1
1 327 . 19 1 1 A 27 27 ASP N N 27 121.391 122.980 -1.589 1
1 328 . 19 1 1 A 28 28 GLU H H 28 8.419 7.942 0.477 1
1 329 . 19 1 1 A 28 28 GLU HA H 28 4.063 4.920 -0.857 1
1 334 . 19 1 1 A 28 28 GLU C C 28 176.146 175.949 0.197 1
1 335 . 19 1 1 A 28 28 GLU CA C 28 57.076 54.835 2.241 1
1 336 . 19 1 1 A 28 28 GLU CB C 28 30.774 33.501 -2.727 1
1 338 . 19 1 1 A 28 28 GLU N N 28 120.203 114.930 5.273 1
1 339 . 19 1 1 A 29 29 GLY H H 29 8.364 8.431 -0.067 1
1 340 . 19 1 1 A 29 29 GLY HA2 H 29 4.758 4.325 0.433 1
1 341 . 19 1 1 A 29 29 GLY HA3 H 29 4.584 4.348 0.236 1
1 342 . 19 1 1 A 29 29 GLY C C 29 175.976 175.195 0.781 1
1 343 . 19 1 1 A 29 29 GLY CA C 29 44.686 45.732 -1.046 1
1 344 . 19 1 1 A 29 29 GLY N N 29 110.404 107.460 2.944 1
1 345 . 19 1 1 A 30 30 GLU H H 30 8.867 8.062 0.805 1
1 346 . 19 1 1 A 30 30 GLU HA H 30 3.749 3.946 -0.197 1
1 351 . 19 1 1 A 30 30 GLU C C 30 177.872 177.745 0.127 1
1 352 . 19 1 1 A 30 30 GLU CA C 30 59.045 59.244 -0.199 1
1 353 . 19 1 1 A 30 30 GLU CB C 30 29.030 29.522 -0.492 1
1 355 . 19 1 1 A 30 30 GLU N N 30 125.251 121.224 4.027 1
1 356 . 19 1 1 A 31 31 GLU H H 31 9.842 7.846 1.996 1
1 357 . 19 1 1 A 31 31 GLU HA H 31 4.312 4.539 -0.227 1
1 362 . 19 1 1 A 31 31 GLU C C 31 176.330 176.099 0.231 1
1 363 . 19 1 1 A 31 31 GLU CA C 31 57.437 55.574 1.863 1
1 364 . 19 1 1 A 31 31 GLU CB C 31 28.040 30.449 -2.409 1
1 366 . 19 1 1 A 31 31 GLU N N 31 118.421 118.336 0.085 1
1 367 . 19 1 1 A 32 32 ASN H H 32 7.731 8.017 -0.286 1
1 368 . 19 1 1 A 32 32 ASN HA H 32 5.127 5.363 -0.236 1
1 373 . 19 1 1 A 32 32 ASN C C 32 172.750 173.995 -1.245 1
1 374 . 19 1 1 A 32 32 ASN CA C 32 54.111 52.443 1.668 1
1 375 . 19 1 1 A 32 32 ASN CB C 32 40.161 39.883 0.278 1
1 376 . 19 1 1 A 32 32 ASN N N 32 116.937 118.958 -2.021 1
1 378 . 19 1 1 A 33 33 ILE H H 33 7.105 8.215 -1.110 1
1 379 . 19 1 1 A 33 33 ILE HA H 33 4.793 4.543 0.250 1
1 389 . 19 1 1 A 33 33 ILE CA C 33 57.895 57.397 0.498 1
1 390 . 19 1 1 A 33 33 ILE CB C 33 40.609 40.885 -0.276 1
1 394 . 19 1 1 A 33 33 ILE N N 33 121.985 126.079 -4.094 1
1 395 . 19 1 1 A 34 34 PRO HA H 34 4.065 4.627 -0.562 1
1 402 . 19 1 1 A 34 34 PRO C C 34 173.754 175.891 -2.137 1
1 403 . 19 1 1 A 34 34 PRO CA C 34 61.962 62.902 -0.940 1
1 404 . 19 1 1 A 34 34 PRO CB C 34 31.877 31.675 0.202 1
1 407 . 19 1 1 A 35 35 LYS H H 35 7.101 8.549 -1.448 1
1 408 . 19 1 1 A 35 35 LYS HA H 35 4.377 4.882 -0.505 1
1 417 . 19 1 1 A 35 35 LYS C C 35 175.712 175.100 0.612 1
1 418 . 19 1 1 A 35 35 LYS CA C 35 53.404 54.664 -1.260 1
1 419 . 19 1 1 A 35 35 LYS CB C 35 35.229 35.673 -0.444 1
1 423 . 19 1 1 A 35 35 LYS N N 35 116.046 121.637 -5.591 1
1 424 . 19 1 1 A 36 36 LYS H H 36 8.144 8.608 -0.464 1
1 425 . 19 1 1 A 36 36 LYS HA H 36 3.515 4.071 -0.556 1
1 434 . 19 1 1 A 36 36 LYS C C 36 176.774 177.376 -0.602 1
1 435 . 19 1 1 A 36 36 LYS CA C 36 58.608 58.006 0.602 1
1 436 . 19 1 1 A 36 36 LYS CB C 36 32.089 32.334 -0.245 1
1 440 . 19 1 1 A 36 36 LYS N N 36 120.797 124.075 -3.278 1
1 441 . 19 1 1 A 37 37 GLY H H 37 9.113 8.593 0.520 1
1 442 . 19 1 1 A 37 37 GLY HA2 H 37 3.494 4.034 -0.540 1
1 443 . 19 1 1 A 37 37 GLY HA3 H 37 4.330 4.043 0.287 1
1 444 . 19 1 1 A 37 37 GLY C C 37 175.329 174.597 0.732 1
1 445 . 19 1 1 A 37 37 GLY CA C 37 44.853 45.029 -0.176 1
1 446 . 19 1 1 A 37 37 GLY N N 37 113.967 114.890 -0.923 1
1 447 . 19 1 1 A 38 38 ASN H H 38 8.447 7.584 0.863 1
1 448 . 19 1 1 A 38 38 ASN HA H 38 4.663 4.935 -0.272 1
1 453 . 19 1 1 A 38 38 ASN C C 38 174.878 174.637 0.241 1
1 454 . 19 1 1 A 38 38 ASN CA C 38 53.557 52.812 0.745 1
1 455 . 19 1 1 A 38 38 ASN CB C 38 39.155 39.914 -0.759 1
1 457 . 19 1 1 A 38 38 ASN N N 38 117.828 119.729 -1.901 1
1 459 . 19 1 1 A 39 39 GLU H H 39 8.331 8.683 -0.352 1
1 460 . 19 1 1 A 39 39 GLU HA H 39 4.254 4.622 -0.368 1
1 465 . 19 1 1 A 39 39 GLU C C 39 175.656 176.235 -0.579 1
1 466 . 19 1 1 A 39 39 GLU CA C 39 55.804 56.112 -0.308 1
1 467 . 19 1 1 A 39 39 GLU CB C 39 31.464 29.565 1.899 1
1 469 . 19 1 1 A 39 39 GLU N N 39 121.094 122.637 -1.543 1
1 470 . 19 1 1 A 40 40 VAL H H 40 9.138 8.344 0.794 1
1 471 . 19 1 1 A 40 40 VAL HA H 40 4.699 4.836 -0.137 1
1 479 . 19 1 1 A 40 40 VAL C C 40 173.240 174.166 -0.926 1
1 480 . 19 1 1 A 40 40 VAL CA C 40 59.559 59.922 -0.363 1
1 481 . 19 1 1 A 40 40 VAL CB C 40 32.896 35.175 -2.279 1
1 484 . 19 1 1 A 40 40 VAL N N 40 125.845 121.644 4.201 1
1 485 . 19 1 1 A 41 41 THR H H 41 8.328 9.112 -0.784 1
1 486 . 19 1 1 A 41 41 THR HA H 41 4.982 4.782 0.200 1
1 491 . 19 1 1 A 41 41 THR C C 41 174.455 174.053 0.402 1
1 492 . 19 1 1 A 41 41 THR CA C 41 61.964 61.503 0.461 1
1 493 . 19 1 1 A 41 41 THR CB C 41 69.623 70.533 -0.910 1
1 495 . 19 1 1 A 41 41 THR N N 41 117.531 118.022 -0.491 1
1 496 . 19 1 1 A 42 42 VAL H H 42 9.581 8.498 1.083 1
1 497 . 19 1 1 A 42 42 VAL HA H 42 5.669 5.121 0.548 1
1 505 . 19 1 1 A 42 42 VAL C C 42 174.919 173.424 1.495 1
1 506 . 19 1 1 A 42 42 VAL CA C 42 57.930 58.198 -0.268 1
1 507 . 19 1 1 A 42 42 VAL CB C 42 35.321 35.345 -0.024 1
1 510 . 19 1 1 A 42 42 VAL N N 42 117.828 119.532 -1.704 1
1 511 . 19 1 1 A 43 43 HIS H H 43 8.333 9.317 -0.984 1
1 512 . 19 1 1 A 43 43 HIS HA H 43 5.407 5.399 0.008 1
1 515 . 19 1 1 A 43 43 HIS C C 43 176.136 173.442 2.694 1
1 516 . 19 1 1 A 43 43 HIS CA C 43 54.147 54.529 -0.382 1
1 517 . 19 1 1 A 43 43 HIS CB C 43 35.339 33.071 2.268 1
1 518 . 19 1 1 A 43 43 HIS N N 43 119.906 123.184 -3.278 1
1 519 . 19 1 1 A 44 44 TYR H H 44 9.622 8.489 1.133 1
1 520 . 19 1 1 A 44 44 TYR HA H 44 6.247 6.458 -0.211 1
1 527 . 19 1 1 A 44 44 TYR C C 44 172.857 173.943 -1.086 1
1 528 . 19 1 1 A 44 44 TYR CA C 44 56.304 55.750 0.554 1
1 529 . 19 1 1 A 44 44 TYR CB C 44 43.537 42.678 0.859 1
1 530 . 19 1 1 A 44 44 TYR N N 44 117.234 121.821 -4.587 1
1 531 . 19 1 1 A 45 45 VAL H H 45 8.735 8.635 0.100 1
1 532 . 19 1 1 A 45 45 VAL HA H 45 4.520 4.741 -0.221 1
1 540 . 19 1 1 A 45 45 VAL C C 45 175.200 174.636 0.564 1
1 541 . 19 1 1 A 45 45 VAL CA C 45 62.212 60.318 1.894 1
1 542 . 19 1 1 A 45 45 VAL CB C 45 35.550 34.773 0.777 1
1 545 . 19 1 1 A 45 45 VAL N N 45 118.125 119.868 -1.743 1
1 546 . 19 1 1 A 46 46 GLY H H 46 9.126 7.913 1.213 1
1 547 . 19 1 1 A 46 46 GLY HA2 H 46 4.539 4.079 0.460 1
1 548 . 19 1 1 A 46 46 GLY HA3 H 46 4.506 4.157 0.349 1
1 549 . 19 1 1 A 46 46 GLY C C 46 170.771 171.728 -0.957 1
1 550 . 19 1 1 A 46 46 GLY CA C 46 45.601 46.074 -0.473 1
1 551 . 19 1 1 A 46 46 GLY N N 46 114.858 111.763 3.095 1
1 552 . 19 1 1 A 47 47 LYS H H 47 9.121 8.306 0.815 1
1 553 . 19 1 1 A 47 47 LYS HA H 47 5.176 4.884 0.292 1
1 562 . 19 1 1 A 47 47 LYS C C 47 175.830 173.951 1.879 1
1 563 . 19 1 1 A 47 47 LYS CA C 47 53.937 54.394 -0.457 1
1 564 . 19 1 1 A 47 47 LYS CB C 47 37.021 35.919 1.102 1
1 568 . 19 1 1 A 47 47 LYS N N 47 123.469 118.945 4.524 1
1 569 . 19 1 1 A 48 48 LEU H H 48 8.016 9.296 -1.280 1
1 570 . 19 1 1 A 48 48 LEU HA H 48 4.692 4.550 0.142 1
1 580 . 19 1 1 A 48 48 LEU C C 48 178.031 176.595 1.436 1
1 581 . 19 1 1 A 48 48 LEU CA C 48 54.231 54.214 0.017 1
1 582 . 19 1 1 A 48 48 LEU CB C 48 41.678 42.429 -0.751 1
1 586 . 19 1 1 A 48 48 LEU N N 48 121.391 122.738 -1.347 1
1 587 . 19 1 1 A 49 49 GLU H H 49 8.085 8.392 -0.307 1
1 588 . 19 1 1 A 49 49 GLU HA H 49 3.835 3.885 -0.050 1
1 593 . 19 1 1 A 49 49 GLU C C 49 178.118 177.939 0.179 1
1 594 . 19 1 1 A 49 49 GLU CA C 49 59.974 59.690 0.284 1
1 595 . 19 1 1 A 49 49 GLU CB C 49 30.322 29.137 1.185 1
1 597 . 19 1 1 A 49 49 GLU N N 49 124.954 127.481 -2.527 1
1 598 . 19 1 1 A 50 50 SER H H 50 9.220 8.061 1.159 1
1 599 . 19 1 1 A 50 50 SER HA H 50 4.154 4.270 -0.116 1
1 602 . 19 1 1 A 50 50 SER C C 50 176.751 175.814 0.937 1
1 603 . 19 1 1 A 50 50 SER CA C 50 60.230 60.809 -0.579 1
1 604 . 19 1 1 A 50 50 SER CB C 50 62.229 63.045 -0.816 1
1 605 . 19 1 1 A 50 50 SER N N 50 112.186 114.542 -2.356 1
1 606 . 19 1 1 A 51 51 THR H H 51 6.784 7.657 -0.873 1
1 607 . 19 1 1 A 51 51 THR HA H 51 4.520 4.609 -0.089 1
1 612 . 19 1 1 A 51 51 THR C C 51 176.342 175.134 1.208 1
1 613 . 19 1 1 A 51 51 THR CA C 51 60.760 62.557 -1.797 1
1 614 . 19 1 1 A 51 51 THR CB C 51 71.046 71.435 -0.389 1
1 616 . 19 1 1 A 51 51 THR N N 51 105.653 113.003 -7.350 1
1 617 . 19 1 1 A 52 52 GLY H H 52 8.296 8.752 -0.456 1
1 618 . 19 1 1 A 52 52 GLY HA2 H 52 3.680 3.978 -0.298 1
1 619 . 19 1 1 A 52 52 GLY HA3 H 52 4.096 3.983 0.113 1
1 620 . 19 1 1 A 52 52 GLY C C 52 173.336 174.393 -1.057 1
1 621 . 19 1 1 A 52 52 GLY CA C 52 45.711 45.471 0.240 1
1 622 . 19 1 1 A 52 52 GLY N N 52 112.483 110.165 2.318 1
1 623 . 19 1 1 A 53 53 LYS H H 53 7.479 7.367 0.112 1
1 624 . 19 1 1 A 53 53 LYS HA H 53 4.218 4.402 -0.184 1
1 633 . 19 1 1 A 53 53 LYS C C 53 176.513 175.694 0.819 1
1 634 . 19 1 1 A 53 53 LYS CA C 53 56.217 55.646 0.571 1
1 635 . 19 1 1 A 53 53 LYS CB C 53 33.430 32.826 0.604 1
1 639 . 19 1 1 A 53 53 LYS N N 53 119.609 119.780 -0.171 1
1 640 . 19 1 1 A 54 54 VAL H H 54 8.511 8.322 0.189 1
1 641 . 19 1 1 A 54 54 VAL HA H 54 4.244 4.225 0.019 1
1 649 . 19 1 1 A 54 54 VAL C C 54 176.879 176.320 0.559 1
1 650 . 19 1 1 A 54 54 VAL CA C 54 62.409 62.605 -0.196 1
1 651 . 19 1 1 A 54 54 VAL CB C 54 32.697 32.813 -0.116 1
1 654 . 19 1 1 A 54 54 VAL N N 54 126.109 125.960 0.149 1
1 655 . 19 1 1 A 55 55 PHE H H 55 8.325 8.573 -0.248 1
1 656 . 19 1 1 A 55 55 PHE HA H 55 5.036 4.751 0.285 1
1 664 . 19 1 1 A 55 55 PHE C C 55 174.856 174.672 0.184 1
1 665 . 19 1 1 A 55 55 PHE CA C 55 55.758 58.517 -2.759 1
1 666 . 19 1 1 A 55 55 PHE CB C 55 40.399 39.138 1.261 1
1 667 . 19 1 1 A 55 55 PHE N N 55 124.063 126.046 -1.983 1
1 668 . 19 1 1 A 56 56 ASP H H 56 6.884 8.887 -2.003 1
1 669 . 19 1 1 A 56 56 ASP HA H 56 4.801 5.108 -0.307 1
1 672 . 19 1 1 A 56 56 ASP C C 56 173.688 174.458 -0.770 1
1 673 . 19 1 1 A 56 56 ASP CA C 56 54.956 53.288 1.668 1
1 674 . 19 1 1 A 56 56 ASP CB C 56 43.616 41.608 2.008 1
1 675 . 19 1 1 A 56 56 ASP N N 56 120.500 125.224 -4.724 1
1 676 . 19 1 1 A 57 57 SER H H 57 8.038 8.790 -0.752 1
1 677 . 19 1 1 A 57 57 SER HA H 57 4.796 4.840 -0.044 1
1 680 . 19 1 1 A 57 57 SER C C 57 174.997 175.045 -0.048 1
1 681 . 19 1 1 A 57 57 SER CA C 57 55.792 57.181 -1.389 1
1 682 . 19 1 1 A 57 57 SER CB C 57 64.961 66.570 -1.609 1
1 683 . 19 1 1 A 57 57 SER N N 57 118.421 121.395 -2.974 1
1 684 . 19 1 1 A 58 58 SER H H 58 8.429 8.732 -0.303 1
1 685 . 19 1 1 A 58 58 SER HA H 58 4.080 3.941 0.139 1
1 688 . 19 1 1 A 58 58 SER C C 58 177.399 176.158 1.241 1
1 689 . 19 1 1 A 58 58 SER CA C 58 61.499 61.245 0.254 1
1 690 . 19 1 1 A 58 58 SER CB C 58 65.069 62.006 3.063 1
1 691 . 19 1 1 A 58 58 SER N N 58 123.766 117.560 6.206 1
1 692 . 19 1 1 A 59 59 PHE H H 59 7.276 7.434 -0.158 1
1 693 . 19 1 1 A 59 59 PHE HA H 59 3.851 4.497 -0.646 1
1 701 . 19 1 1 A 59 59 PHE C C 59 178.929 178.305 0.624 1
1 702 . 19 1 1 A 59 59 PHE CA C 59 61.010 59.795 1.215 1
1 703 . 19 1 1 A 59 59 PHE CB C 59 38.129 40.044 -1.915 1
1 704 . 19 1 1 A 59 59 PHE N N 59 121.845 118.672 3.173 1
1 705 . 19 1 1 A 60 60 ASP H H 60 7.534 8.850 -1.316 1
1 706 . 19 1 1 A 60 60 ASP HA H 60 4.343 4.525 -0.182 1
1 709 . 19 1 1 A 60 60 ASP C C 60 177.295 178.326 -1.031 1
1 710 . 19 1 1 A 60 60 ASP CA C 60 56.921 56.878 0.043 1
1 711 . 19 1 1 A 60 60 ASP CB C 60 40.298 39.885 0.413 1
1 712 . 19 1 1 A 60 60 ASP N N 60 119.015 119.933 -0.918 1
1 713 . 19 1 1 A 61 61 ARG H H 61 7.224 8.975 -1.751 1
1 714 . 19 1 1 A 61 61 ARG HA H 61 4.378 4.240 0.138 1
1 721 . 19 1 1 A 61 61 ARG C C 61 175.798 177.321 -1.523 1
1 722 . 19 1 1 A 61 61 ARG CA C 61 55.209 57.992 -2.783 1
1 723 . 19 1 1 A 61 61 ARG CB C 61 32.610 28.878 3.732 1
1 726 . 19 1 1 A 61 61 ARG N N 61 115.452 118.915 -3.463 1
1 727 . 19 1 1 A 62 62 ASN H H 62 7.946 8.948 -1.002 1
1 728 . 19 1 1 A 62 62 ASN HA H 62 4.392 5.123 -0.731 1
1 733 . 19 1 1 A 62 62 ASN C C 62 173.776 174.619 -0.843 1
1 734 . 19 1 1 A 62 62 ASN CA C 62 54.269 54.907 -0.638 1
1 735 . 19 1 1 A 62 62 ASN CB C 62 38.597 41.299 -2.702 1
1 737 . 19 1 1 A 62 62 ASN N N 62 115.196 117.253 -2.057 1
1 739 . 19 1 1 A 63 63 VAL H H 63 7.278 8.383 -1.105 1
1 740 . 19 1 1 A 63 63 VAL HA H 63 4.628 4.514 0.114 1
1 748 . 19 1 1 A 63 63 VAL CA C 63 62.601 59.263 3.338 1
1 749 . 19 1 1 A 63 63 VAL CB C 63 35.186 33.057 2.129 1
1 752 . 19 1 1 A 63 63 VAL N N 63 115.155 118.899 -3.744 1
1 753 . 19 1 1 A 64 64 PRO HA H 64 4.516 4.646 -0.130 1
1 760 . 19 1 1 A 64 64 PRO C C 64 174.254 176.153 -1.899 1
1 761 . 19 1 1 A 64 64 PRO CA C 64 62.601 62.793 -0.192 1
1 762 . 19 1 1 A 64 64 PRO CB C 64 31.977 32.810 -0.833 1
1 765 . 19 1 1 A 65 65 PHE H H 65 9.109 8.558 0.551 1
1 766 . 19 1 1 A 65 65 PHE HA H 65 4.821 4.929 -0.108 1
1 774 . 19 1 1 A 65 65 PHE C C 65 173.320 175.636 -2.316 1
1 775 . 19 1 1 A 65 65 PHE CA C 65 57.292 57.491 -0.199 1
1 776 . 19 1 1 A 65 65 PHE CB C 65 42.894 40.350 2.544 1
1 777 . 19 1 1 A 65 65 PHE N N 65 123.469 122.822 0.647 1
1 778 . 19 1 1 A 66 66 LYS H H 66 7.474 9.084 -1.610 1
1 779 . 19 1 1 A 66 66 LYS HA H 66 5.378 5.516 -0.138 1
1 788 . 19 1 1 A 66 66 LYS C C 66 175.026 175.252 -0.226 1
1 789 . 19 1 1 A 66 66 LYS CA C 66 53.876 54.335 -0.459 1
1 790 . 19 1 1 A 66 66 LYS CB C 66 35.471 36.950 -1.479 1
1 794 . 19 1 1 A 66 66 LYS N N 66 125.548 120.315 5.233 1
1 795 . 19 1 1 A 67 67 PHE H H 67 8.114 8.438 -0.324 1
1 796 . 19 1 1 A 67 67 PHE HA H 67 4.469 5.382 -0.913 1
1 804 . 19 1 1 A 67 67 PHE C C 67 172.049 172.312 -0.263 1
1 805 . 19 1 1 A 67 67 PHE CA C 67 55.662 55.834 -0.172 1
1 806 . 19 1 1 A 67 67 PHE CB C 67 40.087 41.548 -1.461 1
1 807 . 19 1 1 A 67 67 PHE N N 67 115.419 116.556 -1.137 1
1 808 . 19 1 1 A 68 68 HIS H H 68 8.983 8.959 0.024 1
1 809 . 19 1 1 A 68 68 HIS HA H 68 5.482 5.386 0.096 1
1 812 . 19 1 1 A 68 68 HIS C C 68 174.742 174.717 0.025 1
1 813 . 19 1 1 A 68 68 HIS CA C 68 55.348 54.191 1.157 1
1 814 . 19 1 1 A 68 68 HIS CB C 68 28.470 32.683 -4.213 1
1 815 . 19 1 1 A 68 68 HIS N N 68 118.421 116.960 1.461 1
1 816 . 19 1 1 A 69 69 LEU H H 69 8.317 8.621 -0.304 1
1 817 . 19 1 1 A 69 69 LEU HA H 69 4.016 4.417 -0.401 1
1 827 . 19 1 1 A 69 69 LEU CA C 69 56.060 55.819 0.241 1
1 828 . 19 1 1 A 69 69 LEU CB C 69 42.903 42.273 0.630 1
1 832 . 19 1 1 A 69 69 LEU N N 69 126.736 124.801 1.935 1
1 833 . 19 1 1 A 70 70 GLU H H 70 9.618 9.072 0.546 1
1 834 . 19 1 1 A 70 70 GLU HA H 70 3.847 4.047 -0.200 1
1 839 . 19 1 1 A 70 70 GLU C C 70 174.818 177.266 -2.448 1
1 840 . 19 1 1 A 70 70 GLU CA C 70 58.625 57.431 1.194 1
1 841 . 19 1 1 A 70 70 GLU CB C 70 27.456 28.261 -0.805 1
1 843 . 19 1 1 A 70 70 GLU N N 70 124.954 126.292 -1.338 1
1 844 . 19 1 1 A 71 71 GLN H H 71 8.248 8.176 0.072 1
1 845 . 19 1 1 A 71 71 GLN HA H 71 4.678 4.476 0.202 1
1 852 . 19 1 1 A 71 71 GLN CA C 71 54.218 54.714 -0.496 1
1 853 . 19 1 1 A 71 71 GLN CB C 71 30.422 28.362 2.060 1
1 856 . 19 1 1 A 71 71 GLN N N 71 114.858 119.502 -4.644 1
1 858 . 19 1 1 A 72 72 GLY H H 72 8.362 8.058 0.304 1
1 859 . 19 1 1 A 72 72 GLY HA2 H 72 4.145 3.981 0.164 1
1 860 . 19 1 1 A 72 72 GLY HA3 H 72 4.059 4.017 0.042 1
1 861 . 19 1 1 A 72 72 GLY C C 72 175.783 175.281 0.502 1
1 862 . 19 1 1 A 72 72 GLY CA C 72 46.838 45.780 1.058 1
1 863 . 19 1 1 A 72 72 GLY N N 72 110.404 109.449 0.955 1
1 864 . 19 1 1 A 73 73 GLU H H 73 9.085 8.239 0.846 1
1 865 . 19 1 1 A 73 73 GLU HA H 73 4.187 4.309 -0.122 1
1 870 . 19 1 1 A 73 73 GLU C C 73 175.522 176.215 -0.693 1
1 871 . 19 1 1 A 73 73 GLU CA C 73 57.443 56.818 0.625 1
1 872 . 19 1 1 A 73 73 GLU CB C 73 31.378 30.591 0.787 1
1 874 . 19 1 1 A 73 73 GLU N N 73 118.421 117.544 0.877 1
1 875 . 19 1 1 A 74 74 VAL H H 74 6.862 7.430 -0.568 1
1 876 . 19 1 1 A 74 74 VAL HA H 74 4.281 4.402 -0.121 1
1 884 . 19 1 1 A 74 74 VAL C C 74 175.773 175.368 0.405 1
1 885 . 19 1 1 A 74 74 VAL CA C 74 57.468 59.731 -2.263 1
1 886 . 19 1 1 A 74 74 VAL CB C 74 36.344 34.437 1.907 1
1 889 . 19 1 1 A 74 74 VAL N N 74 108.919 114.138 -5.219 1
1 890 . 19 1 1 A 75 75 ILE H H 75 7.462 8.922 -1.460 1
1 891 . 19 1 1 A 75 75 ILE HA H 75 3.844 4.235 -0.391 1
1 901 . 19 1 1 A 75 75 ILE C C 75 177.618 177.227 0.391 1
1 902 . 19 1 1 A 75 75 ILE CA C 75 62.213 62.591 -0.378 1
1 903 . 19 1 1 A 75 75 ILE CB C 75 37.337 38.067 -0.730 1
1 907 . 19 1 1 A 75 75 ILE N N 75 113.373 123.746 -10.373 1
1 908 . 19 1 1 A 76 76 LYS H H 76 9.047 7.623 1.424 1
1 909 . 19 1 1 A 76 76 LYS HA H 76 4.282 4.428 -0.146 1
1 918 . 19 1 1 A 76 76 LYS C C 76 180.009 178.419 1.590 1
1 919 . 19 1 1 A 76 76 LYS CA C 76 59.482 56.978 2.504 1
1 920 . 19 1 1 A 76 76 LYS CB C 76 32.740 34.716 -1.976 1
1 924 . 19 1 1 A 76 76 LYS N N 76 124.954 120.815 4.139 1
1 925 . 19 1 1 A 77 77 GLY H H 77 9.775 8.354 1.421 1
1 926 . 19 1 1 A 77 77 GLY HA2 H 77 3.786 3.278 0.508 1
1 927 . 19 1 1 A 77 77 GLY HA3 H 77 3.618 3.293 0.325 1
1 928 . 19 1 1 A 77 77 GLY C C 77 175.261 176.441 -1.180 1
1 929 . 19 1 1 A 77 77 GLY CA C 77 47.402 47.022 0.380 1
1 930 . 19 1 1 A 77 77 GLY N N 77 101.199 108.047 -6.848 1
1 931 . 19 1 1 A 78 78 TRP H H 78 7.817 7.855 -0.038 1
1 932 . 19 1 1 A 78 78 TRP HA H 78 4.017 4.772 -0.755 1
1 940 . 19 1 1 A 78 78 TRP C C 78 177.610 178.027 -0.417 1
1 941 . 19 1 1 A 78 78 TRP CA C 78 61.524 60.133 1.391 1
1 942 . 19 1 1 A 78 78 TRP CB C 78 28.655 30.037 -1.382 1
1 943 . 19 1 1 A 78 78 TRP N N 78 120.203 122.400 -2.197 1
1 944 . 19 1 1 A 79 79 ASP H H 79 6.967 8.301 -1.334 1
1 945 . 19 1 1 A 79 79 ASP HA H 79 4.738 4.454 0.284 1
1 948 . 19 1 1 A 79 79 ASP C C 79 179.125 179.074 0.051 1
1 949 . 19 1 1 A 79 79 ASP CA C 79 58.492 57.718 0.774 1
1 950 . 19 1 1 A 79 79 ASP CB C 79 41.181 41.753 -0.572 1
1 951 . 19 1 1 A 79 79 ASP N N 79 121.688 120.060 1.628 1
1 952 . 19 1 1 A 80 80 ILE H H 80 8.173 7.980 0.193 1
1 953 . 19 1 1 A 80 80 ILE HA H 80 3.617 3.672 -0.055 1
1 963 . 19 1 1 A 80 80 ILE C C 80 177.849 177.572 0.277 1
1 964 . 19 1 1 A 80 80 ILE CA C 80 64.758 64.939 -0.181 1
1 965 . 19 1 1 A 80 80 ILE CB C 80 39.198 37.544 1.654 1
1 969 . 19 1 1 A 80 80 ILE N N 80 118.125 118.879 -0.754 1
1 970 . 19 1 1 A 81 81 CYS H H 81 7.961 8.249 -0.288 1
1 971 . 19 1 1 A 81 81 CYS HA H 81 4.456 4.082 0.374 1
1 974 . 19 1 1 A 81 81 CYS C C 81 178.812 176.827 1.985 1
1 975 . 19 1 1 A 81 81 CYS CA C 81 63.059 62.742 0.317 1
1 976 . 19 1 1 A 81 81 CYS CB C 81 27.732 26.599 1.133 1
1 977 . 19 1 1 A 81 81 CYS N N 81 116.937 121.148 -4.211 1
1 978 . 19 1 1 A 82 82 VAL H H 82 9.434 8.282 1.152 1
1 979 . 19 1 1 A 82 82 VAL HA H 82 3.476 3.846 -0.370 1
1 987 . 19 1 1 A 82 82 VAL C C 82 176.456 177.617 -1.161 1
1 988 . 19 1 1 A 82 82 VAL CA C 82 66.977 65.028 1.949 1
1 989 . 19 1 1 A 82 82 VAL CB C 82 30.171 31.593 -1.422 1
1 992 . 19 1 1 A 82 82 VAL N N 82 121.688 118.649 3.039 1
1 993 . 19 1 1 A 83 83 SER H H 83 7.541 7.828 -0.287 1
1 994 . 19 1 1 A 83 83 SER HA H 83 3.964 4.363 -0.399 1
1 997 . 19 1 1 A 83 83 SER C C 83 173.661 174.625 -0.964 1
1 998 . 19 1 1 A 83 83 SER CA C 83 61.551 60.149 1.402 1
1 999 . 19 1 1 A 83 83 SER CB C 83 63.239 63.367 -0.128 1
1 1000 . 19 1 1 A 83 83 SER N N 83 111.889 115.426 -3.537 1
1 1001 . 19 1 1 A 84 84 SER H H 84 7.471 7.643 -0.172 1
1 1002 . 19 1 1 A 84 84 SER HA H 84 4.530 4.654 -0.124 1
1 1005 . 19 1 1 A 84 84 SER C C 84 174.314 173.421 0.893 1
1 1006 . 19 1 1 A 84 84 SER CA C 84 58.440 57.129 1.311 1
1 1007 . 19 1 1 A 84 84 SER CB C 84 65.929 63.945 1.984 1
1 1008 . 19 1 1 A 84 84 SER N N 84 114.264 116.345 -2.081 1
1 1009 . 19 1 1 A 85 85 MET H H 85 7.441 7.056 0.385 1
1 1010 . 19 1 1 A 85 85 MET HA H 85 4.262 5.087 -0.825 1
1 1015 . 19 1 1 A 85 85 MET C C 85 172.768 174.208 -1.440 1
1 1016 . 19 1 1 A 85 85 MET CA C 85 56.502 53.900 2.602 1
1 1017 . 19 1 1 A 85 85 MET CB C 85 36.378 36.134 0.244 1
1 1019 . 19 1 1 A 85 85 MET N N 85 124.657 121.107 3.550 1
1 1020 . 19 1 1 A 86 86 ARG H H 86 7.045 8.362 -1.317 1
1 1021 . 19 1 1 A 86 86 ARG HA H 86 4.879 4.674 0.205 1
1 1028 . 19 1 1 A 86 86 ARG C C 86 177.468 176.444 1.024 1
1 1029 . 19 1 1 A 86 86 ARG CA C 86 53.395 53.645 -0.250 1
1 1030 . 19 1 1 A 86 86 ARG CB C 86 33.244 33.090 0.154 1
1 1033 . 19 1 1 A 86 86 ARG N N 86 114.264 118.599 -4.335 1
1 1034 . 19 1 1 A 87 87 LYS H H 87 8.818 8.602 0.216 1
1 1035 . 19 1 1 A 87 87 LYS HA H 87 3.554 3.793 -0.239 1
1 1044 . 19 1 1 A 87 87 LYS C C 87 175.382 177.046 -1.664 1
1 1045 . 19 1 1 A 87 87 LYS CA C 87 60.175 58.335 1.840 1
1 1046 . 19 1 1 A 87 87 LYS CB C 87 33.195 32.323 0.872 1
1 1050 . 19 1 1 A 87 87 LYS N N 87 121.391 123.046 -1.655 1
1 1051 . 19 1 1 A 88 88 ASN H H 88 8.943 7.709 1.234 1
1 1052 . 19 1 1 A 88 88 ASN HA H 88 4.291 4.946 -0.655 1
1 1057 . 19 1 1 A 88 88 ASN C C 88 174.124 174.155 -0.031 1
1 1058 . 19 1 1 A 88 88 ASN CA C 88 56.703 53.013 3.690 1
1 1059 . 19 1 1 A 88 88 ASN CB C 88 36.677 39.592 -2.915 1
1 1060 . 19 1 1 A 88 88 ASN N N 88 116.640 114.512 2.128 1
1 1062 . 19 1 1 A 89 89 GLU H H 89 8.677 7.454 1.223 1
1 1063 . 19 1 1 A 89 89 GLU HA H 89 4.358 4.992 -0.634 1
1 1068 . 19 1 1 A 89 89 GLU C C 89 174.903 175.031 -0.128 1
1 1069 . 19 1 1 A 89 89 GLU CA C 89 56.190 55.318 0.872 1
1 1070 . 19 1 1 A 89 89 GLU CB C 89 33.096 32.623 0.473 1
1 1072 . 19 1 1 A 89 89 GLU N N 89 122.876 121.027 1.849 1
1 1073 . 19 1 1 A 90 90 LYS H H 90 8.580 8.969 -0.389 1
1 1074 . 19 1 1 A 90 90 LYS HA H 90 5.542 5.342 0.200 1
1 1083 . 19 1 1 A 90 90 LYS C C 90 175.593 174.713 0.880 1
1 1084 . 19 1 1 A 90 90 LYS CA C 90 54.210 55.473 -1.263 1
1 1085 . 19 1 1 A 90 90 LYS CB C 90 36.189 35.556 0.633 1
1 1089 . 19 1 1 A 90 90 LYS N N 90 123.469 125.209 -1.740 1
1 1090 . 19 1 1 A 91 91 CYS H H 91 9.673 8.284 1.389 1
1 1091 . 19 1 1 A 91 91 CYS HA H 91 5.524 5.125 0.399 1
1 1094 . 19 1 1 A 91 91 CYS C C 91 170.527 173.240 -2.713 1
1 1095 . 19 1 1 A 91 91 CYS CA C 91 54.690 57.656 -2.966 1
1 1096 . 19 1 1 A 91 91 CYS CB C 91 32.542 32.678 -0.136 1
1 1097 . 19 1 1 A 91 91 CYS N N 91 122.579 123.484 -0.905 1
1 1098 . 19 1 1 A 92 92 LEU H H 92 8.984 8.594 0.390 1
1 1099 . 19 1 1 A 92 92 LEU HA H 92 5.458 5.107 0.351 1
1 1109 . 19 1 1 A 92 92 LEU C C 92 175.596 175.203 0.393 1
1 1110 . 19 1 1 A 92 92 LEU CA C 92 53.413 53.644 -0.231 1
1 1111 . 19 1 1 A 92 92 LEU CB C 92 44.972 42.757 2.215 1
1 1115 . 19 1 1 A 92 92 LEU N N 92 122.282 122.692 -0.410 1
1 1116 . 19 1 1 A 93 93 VAL H H 93 10.107 8.947 1.160 1
1 1117 . 19 1 1 A 93 93 VAL HA H 93 5.506 4.959 0.547 1
1 1125 . 19 1 1 A 93 93 VAL C C 93 171.051 173.955 -2.904 1
1 1126 . 19 1 1 A 93 93 VAL CA C 93 58.200 59.753 -1.553 1
1 1127 . 19 1 1 A 93 93 VAL CB C 93 35.276 34.298 0.978 1
1 1130 . 19 1 1 A 93 93 VAL N N 93 126.224 126.008 0.216 1
1 1131 . 19 1 1 A 94 94 ARG H H 94 8.949 9.045 -0.096 1
1 1132 . 19 1 1 A 94 94 ARG HA H 94 5.133 5.128 0.005 1
1 1139 . 19 1 1 A 94 94 ARG C C 94 175.823 175.053 0.770 1
1 1140 . 19 1 1 A 94 94 ARG CA C 94 56.219 55.472 0.747 1
1 1141 . 19 1 1 A 94 94 ARG CB C 94 32.039 30.803 1.236 1
1 1144 . 19 1 1 A 94 94 ARG N N 94 130.596 127.190 3.406 1
1 1145 . 19 1 1 A 95 95 ILE H H 95 9.655 8.622 1.033 1
1 1146 . 19 1 1 A 95 95 ILE HA H 95 4.899 4.562 0.337 1
1 1156 . 19 1 1 A 95 95 ILE C C 95 175.215 175.330 -0.115 1
1 1157 . 19 1 1 A 95 95 ILE CA C 95 60.582 60.807 -0.225 1
1 1158 . 19 1 1 A 95 95 ILE CB C 95 37.359 37.565 -0.206 1
1 1162 . 19 1 1 A 95 95 ILE N N 95 129.905 126.596 3.309 1
1 1163 . 19 1 1 A 96 96 GLU H H 96 9.213 8.874 0.339 1
1 1164 . 19 1 1 A 96 96 GLU HA H 96 4.320 4.282 0.038 1
1 1169 . 19 1 1 A 96 96 GLU C C 96 177.897 177.422 0.475 1
1 1170 . 19 1 1 A 96 96 GLU CA C 96 57.568 56.051 1.517 1
1 1171 . 19 1 1 A 96 96 GLU CB C 96 29.676 30.808 -1.132 1
1 1173 . 19 1 1 A 96 96 GLU N N 96 126.439 128.627 -2.188 1
1 1174 . 19 1 1 A 97 97 SER H H 97 8.693 8.818 -0.125 1
1 1175 . 19 1 1 A 97 97 SER HA H 97 4.370 4.086 0.284 1
1 1178 . 19 1 1 A 97 97 SER C C 97 178.668 175.375 3.293 1
1 1179 . 19 1 1 A 97 97 SER CA C 97 62.800 61.651 1.149 1
1 1180 . 19 1 1 A 97 97 SER CB C 97 64.591 62.473 2.118 1
1 1181 . 19 1 1 A 97 97 SER N N 97 115.749 119.894 -4.145 1
1 1182 . 19 1 1 A 98 98 MET H H 98 8.937 7.918 1.019 1
1 1183 . 19 1 1 A 98 98 MET HA H 98 4.170 4.274 -0.104 1
1 1188 . 19 1 1 A 98 98 MET C C 98 179.250 176.318 2.932 1
1 1189 . 19 1 1 A 98 98 MET CA C 98 58.702 57.018 1.684 1
1 1190 . 19 1 1 A 98 98 MET CB C 98 31.047 31.878 -0.831 1
1 1192 . 19 1 1 A 98 98 MET N N 98 121.985 118.552 3.433 1
1 1193 . 19 1 1 A 99 99 TYR H H 99 7.927 8.003 -0.076 1
1 1194 . 19 1 1 A 99 99 TYR HA H 99 4.435 4.578 -0.143 1
1 1201 . 19 1 1 A 99 99 TYR C C 99 173.125 175.818 -2.693 1
1 1202 . 19 1 1 A 99 99 TYR CA C 99 58.064 58.229 -0.165 1
1 1203 . 19 1 1 A 99 99 TYR CB C 99 39.570 38.912 0.658 1
1 1204 . 19 1 1 A 99 99 TYR N N 99 116.640 117.912 -1.272 1
1 1205 . 19 1 1 A 100 100 GLY H H 100 7.802 7.565 0.237 1
1 1206 . 19 1 1 A 100 100 GLY HA2 H 100 3.223 4.205 -0.982 1
1 1207 . 19 1 1 A 100 100 GLY HA3 H 100 4.309 4.225 0.084 1
1 1208 . 19 1 1 A 100 100 GLY C C 100 173.213 174.627 -1.414 1
1 1209 . 19 1 1 A 100 100 GLY CA C 100 45.062 44.554 0.508 1
1 1210 . 19 1 1 A 100 100 GLY N N 100 110.998 106.693 4.305 1
1 1211 . 19 1 1 A 101 101 TYR H H 101 9.407 9.160 0.247 1
1 1212 . 19 1 1 A 101 101 TYR HA H 101 4.443 4.286 0.157 1
1 1219 . 19 1 1 A 101 101 TYR C C 101 176.014 176.512 -0.498 1
1 1220 . 19 1 1 A 101 101 TYR CA C 101 58.944 60.977 -2.033 1
1 1221 . 19 1 1 A 101 101 TYR CB C 101 37.732 38.598 -0.866 1
1 1222 . 19 1 1 A 101 101 TYR N N 101 126.439 118.615 7.824 1
1 1223 . 19 1 1 A 102 102 GLY H H 102 8.231 8.219 0.012 1
1 1224 . 19 1 1 A 102 102 GLY HA2 H 102 4.001 3.965 0.036 1
1 1225 . 19 1 1 A 102 102 GLY HA3 H 102 3.715 3.987 -0.272 1
1 1226 . 19 1 1 A 102 102 GLY C C 102 175.685 174.843 0.842 1
1 1227 . 19 1 1 A 102 102 GLY CA C 102 46.447 47.390 -0.943 1
1 1228 . 19 1 1 A 102 102 GLY N N 102 107.138 107.629 -0.491 1
1 1229 . 19 1 1 A 103 103 ASP H H 103 8.983 8.959 0.024 1
1 1230 . 19 1 1 A 103 103 ASP HA H 103 4.277 4.621 -0.344 1
1 1233 . 19 1 1 A 103 103 ASP C C 103 176.677 178.198 -1.521 1
1 1234 . 19 1 1 A 103 103 ASP CA C 103 56.352 56.002 0.350 1
1 1235 . 19 1 1 A 103 103 ASP CB C 103 40.640 40.858 -0.218 1
1 1236 . 19 1 1 A 103 103 ASP N N 103 124.954 126.477 -1.523 1
1 1237 . 19 1 1 A 104 104 GLU H H 104 8.552 7.800 0.752 1
1 1238 . 19 1 1 A 104 104 GLU HA H 104 4.139 4.412 -0.273 1
1 1243 . 19 1 1 A 104 104 GLU C C 104 179.142 176.465 2.677 1
1 1244 . 19 1 1 A 104 104 GLU CA C 104 58.100 56.465 1.635 1
1 1245 . 19 1 1 A 104 104 GLU CB C 104 30.076 30.567 -0.491 1
1 1247 . 19 1 1 A 104 104 GLU N N 104 117.531 118.304 -0.773 1
1 1248 . 19 1 1 A 105 105 GLY H H 105 7.188 7.564 -0.376 1
1 1249 . 19 1 1 A 105 105 GLY HA2 H 105 3.137 3.880 -0.743 1
1 1250 . 19 1 1 A 105 105 GLY HA3 H 105 4.012 3.963 0.049 1
1 1251 . 19 1 1 A 105 105 GLY C C 105 171.730 171.722 0.008 1
1 1252 . 19 1 1 A 105 105 GLY CA C 105 44.214 45.715 -1.501 1
1 1253 . 19 1 1 A 105 105 GLY N N 105 104.168 108.377 -4.209 1
1 1254 . 19 1 1 A 106 106 CYS H H 106 9.026 8.166 0.860 1
1 1255 . 19 1 1 A 106 106 CYS HA H 106 4.253 4.946 -0.693 1
1 1258 . 19 1 1 A 106 106 CYS C C 106 173.438 174.754 -1.316 1
1 1259 . 19 1 1 A 106 106 CYS CA C 106 57.814 57.544 0.270 1
1 1260 . 19 1 1 A 106 106 CYS CB C 106 26.162 27.626 -1.464 1
1 1261 . 19 1 1 A 106 106 CYS N N 106 121.949 120.787 1.162 1
1 1262 . 19 1 1 A 107 107 GLY H H 107 8.584 8.790 -0.206 1
1 1263 . 19 1 1 A 107 107 GLY HA2 H 107 3.706 4.110 -0.404 1
1 1264 . 19 1 1 A 107 107 GLY HA3 H 107 3.954 4.130 -0.176 1
1 1265 . 19 1 1 A 107 107 GLY C C 107 173.461 174.836 -1.375 1
1 1266 . 19 1 1 A 107 107 GLY CA C 107 45.258 45.425 -0.167 1
1 1267 . 19 1 1 A 107 107 GLY N N 107 114.561 113.130 1.431 1
1 1268 . 19 1 1 A 108 108 GLU H H 108 8.503 8.790 -0.287 1
1 1269 . 19 1 1 A 108 108 GLU HA H 108 4.051 3.866 0.185 1
1 1274 . 19 1 1 A 108 108 GLU C C 108 178.118 177.899 0.219 1
1 1275 . 19 1 1 A 108 108 GLU CA C 108 57.478 59.494 -2.016 1
1 1276 . 19 1 1 A 108 108 GLU CB C 108 29.835 29.586 0.249 1
1 1278 . 19 1 1 A 108 108 GLU N N 108 119.609 121.823 -2.214 1
1 1279 . 19 1 1 A 109 109 SER H H 109 8.082 8.007 0.075 1
1 1280 . 19 1 1 A 109 109 SER HA H 109 4.127 4.437 -0.310 1
1 1283 . 19 1 1 A 109 109 SER C C 109 173.569 175.457 -1.888 1
1 1284 . 19 1 1 A 109 109 SER CA C 109 60.141 60.003 0.138 1
1 1285 . 19 1 1 A 109 109 SER CB C 109 63.935 63.907 0.028 1
1 1286 . 19 1 1 A 109 109 SER N N 109 112.186 112.353 -0.167 1
1 1287 . 19 1 1 A 110 110 ILE H H 110 6.570 7.818 -1.248 1
1 1288 . 19 1 1 A 110 110 ILE HA H 110 4.235 4.499 -0.264 1
1 1298 . 19 1 1 A 110 110 ILE CA C 110 58.031 58.228 -0.197 1
1 1299 . 19 1 1 A 110 110 ILE CB C 110 39.086 37.978 1.108 1
1 1303 . 19 1 1 A 110 110 ILE N N 110 116.937 114.871 2.066 1
1 1304 . 19 1 1 A 111 111 PRO HA H 111 4.510 5.019 -0.509 1
1 1311 . 19 1 1 A 111 111 PRO C C 111 179.076 176.277 2.799 1
1 1312 . 19 1 1 A 111 111 PRO CA C 111 61.703 62.173 -0.470 1
1 1313 . 19 1 1 A 111 111 PRO CB C 111 32.729 30.259 2.470 1
1 1316 . 19 1 1 A 112 112 GLY H H 112 9.018 8.857 0.161 1
1 1317 . 19 1 1 A 112 112 GLY HA2 H 112 3.461 4.141 -0.680 1
1 1318 . 19 1 1 A 112 112 GLY HA3 H 112 3.714 4.146 -0.432 1
1 1319 . 19 1 1 A 112 112 GLY C C 112 172.723 174.174 -1.451 1
1 1320 . 19 1 1 A 112 112 GLY CA C 112 46.262 45.379 0.883 1
1 1321 . 19 1 1 A 112 112 GLY N N 112 111.592 109.805 1.787 1
1 1322 . 19 1 1 A 113 113 ASN H H 113 8.381 8.639 -0.258 1
1 1323 . 19 1 1 A 113 113 ASN HA H 113 4.278 4.236 0.042 1
1 1328 . 19 1 1 A 113 113 ASN C C 113 174.643 173.505 1.138 1
1 1329 . 19 1 1 A 113 113 ASN CA C 113 54.388 54.698 -0.310 1
1 1330 . 19 1 1 A 113 113 ASN CB C 113 37.204 36.879 0.325 1
1 1331 . 19 1 1 A 113 113 ASN N N 113 116.937 119.399 -2.462 1
1 1333 . 19 1 1 A 114 114 SER H H 114 7.617 7.735 -0.118 1
1 1334 . 19 1 1 A 114 114 SER HA H 114 4.517 5.034 -0.517 1
1 1337 . 19 1 1 A 114 114 SER C C 114 172.904 173.035 -0.131 1
1 1338 . 19 1 1 A 114 114 SER CA C 114 59.864 56.272 3.592 1
1 1339 . 19 1 1 A 114 114 SER CB C 114 64.678 65.427 -0.749 1
1 1340 . 19 1 1 A 114 114 SER N N 114 113.077 111.590 1.487 1
1 1341 . 19 1 1 A 115 115 VAL H H 115 8.500 8.756 -0.256 1
1 1342 . 19 1 1 A 115 115 VAL HA H 115 4.341 4.869 -0.528 1
1 1350 . 19 1 1 A 115 115 VAL C C 115 176.075 174.580 1.495 1
1 1351 . 19 1 1 A 115 115 VAL CA C 115 62.705 61.768 0.937 1
1 1352 . 19 1 1 A 115 115 VAL CB C 115 31.546 33.419 -1.873 1
1 1355 . 19 1 1 A 115 115 VAL N N 115 124.360 125.389 -1.029 1
1 1356 . 19 1 1 A 116 116 LEU H H 116 9.104 8.527 0.577 1
1 1357 . 19 1 1 A 116 116 LEU HA H 116 5.002 4.843 0.159 1
1 1367 . 19 1 1 A 116 116 LEU C C 116 174.923 175.654 -0.731 1
1 1368 . 19 1 1 A 116 116 LEU CA C 116 53.123 53.314 -0.191 1
1 1369 . 19 1 1 A 116 116 LEU CB C 116 45.379 45.515 -0.136 1
1 1373 . 19 1 1 A 116 116 LEU N N 116 128.814 128.952 -0.138 1
1 1374 . 19 1 1 A 117 117 LEU H H 117 9.009 8.689 0.320 1
1 1375 . 19 1 1 A 117 117 LEU HA H 117 5.601 5.216 0.385 1
1 1385 . 19 1 1 A 117 117 LEU C C 117 176.574 175.448 1.126 1
1 1386 . 19 1 1 A 117 117 LEU CA C 117 52.750 53.156 -0.406 1
1 1387 . 19 1 1 A 117 117 LEU CB C 117 44.693 43.792 0.901 1
1 1391 . 19 1 1 A 117 117 LEU N N 117 121.391 121.513 -0.122 1
1 1392 . 19 1 1 A 118 118 PHE H H 118 9.375 8.888 0.487 1
1 1393 . 19 1 1 A 118 118 PHE HA H 118 6.155 5.002 1.153 1
1 1401 . 19 1 1 A 118 118 PHE C C 118 176.518 175.528 0.990 1
1 1402 . 19 1 1 A 118 118 PHE CA C 118 55.411 57.133 -1.722 1
1 1403 . 19 1 1 A 118 118 PHE CB C 118 42.385 41.146 1.239 1
1 1404 . 19 1 1 A 118 118 PHE N N 118 117.531 123.679 -6.148 1
1 1405 . 19 1 1 A 119 119 GLU H H 119 8.905 9.663 -0.758 1
1 1406 . 19 1 1 A 119 119 GLU HA H 119 5.604 4.722 0.882 1
1 1411 . 19 1 1 A 119 119 GLU C C 119 175.947 175.846 0.101 1
1 1412 . 19 1 1 A 119 119 GLU CA C 119 60.489 56.822 3.667 1
1 1413 . 19 1 1 A 119 119 GLU CB C 119 31.189 30.207 0.982 1
1 1415 . 19 1 1 A 119 119 GLU N N 119 122.876 123.421 -0.545 1
1 1416 . 19 1 1 A 120 120 ILE H H 120 8.912 8.966 -0.054 1
1 1417 . 19 1 1 A 120 120 ILE HA H 120 4.965 5.277 -0.312 1
1 1427 . 19 1 1 A 120 120 ILE C C 120 173.341 174.542 -1.201 1
1 1428 . 19 1 1 A 120 120 ILE CA C 120 60.568 60.237 0.331 1
1 1429 . 19 1 1 A 120 120 ILE CB C 120 41.927 38.495 3.432 1
1 1433 . 19 1 1 A 120 120 ILE N N 120 123.000 127.059 -4.059 1
1 1434 . 19 1 1 A 121 121 GLU H H 121 9.074 9.353 -0.279 1
1 1435 . 19 1 1 A 121 121 GLU HA H 121 5.445 5.190 0.255 1
1 1440 . 19 1 1 A 121 121 GLU C C 121 175.254 174.278 0.976 1
1 1441 . 19 1 1 A 121 121 GLU CA C 121 53.941 54.567 -0.626 1
1 1442 . 19 1 1 A 121 121 GLU CB C 121 33.897 33.367 0.530 1
1 1444 . 19 1 1 A 121 121 GLU N N 121 128.221 128.997 -0.776 1
1 1445 . 19 1 1 A 122 122 LEU H H 122 8.112 8.786 -0.674 1
1 1446 . 19 1 1 A 122 122 LEU HA H 122 4.680 4.584 0.096 1
1 1456 . 19 1 1 A 122 122 LEU C C 122 174.472 176.527 -2.055 1
1 1457 . 19 1 1 A 122 122 LEU CA C 122 54.403 54.336 0.067 1
1 1458 . 19 1 1 A 122 122 LEU CB C 122 40.796 44.106 -3.310 1
1 1462 . 19 1 1 A 122 122 LEU N N 122 127.033 127.723 -0.690 1
1 1463 . 19 1 1 A 123 123 LEU H H 123 8.704 8.533 0.171 1
1 1464 . 19 1 1 A 123 123 LEU HA H 123 4.385 4.643 -0.258 1
1 1474 . 19 1 1 A 123 123 LEU C C 123 177.614 177.374 0.240 1
1 1475 . 19 1 1 A 123 123 LEU CA C 123 57.095 54.898 2.197 1
1 1476 . 19 1 1 A 123 123 LEU CB C 123 42.226 43.907 -1.681 1
1 1480 . 19 1 1 A 123 123 LEU N N 123 128.814 123.180 5.634 1
1 1481 . 19 1 1 A 124 124 SER H H 124 7.602 7.611 -0.009 1
1 1482 . 19 1 1 A 124 124 SER HA H 124 4.161 5.082 -0.921 1
1 1485 . 19 1 1 A 124 124 SER C C 124 171.375 172.920 -1.545 1
1 1486 . 19 1 1 A 124 124 SER CA C 124 57.545 57.802 -0.257 1
1 1487 . 19 1 1 A 124 124 SER CB C 124 63.359 66.630 -3.271 1
1 1488 . 19 1 1 A 124 124 SER N N 124 105.653 114.462 -8.809 1
1 1489 . 19 1 1 A 125 125 PHE H H 125 7.818 8.911 -1.093 1
1 1490 . 19 1 1 A 125 125 PHE HA H 125 5.451 5.208 0.243 1
1 1498 . 19 1 1 A 125 125 PHE C C 125 173.154 173.261 -0.107 1
1 1499 . 19 1 1 A 125 125 PHE CA C 125 56.463 56.304 0.159 1
1 1500 . 19 1 1 A 125 125 PHE CB C 125 42.301 40.946 1.355 1
1 1501 . 19 1 1 A 125 125 PHE N N 125 113.373 120.701 -7.328 1
1 1502 . 19 1 1 A 126 126 ARG H H 126 8.934 8.798 0.136 1
1 1503 . 19 1 1 A 126 126 ARG HA H 126 4.693 4.667 0.026 1
1 1510 . 19 1 1 A 126 126 ARG C C 126 174.013 174.123 -0.110 1
1 1511 . 19 1 1 A 126 126 ARG CA C 126 54.654 54.660 -0.006 1
1 1512 . 19 1 1 A 126 126 ARG CB C 126 33.064 34.255 -1.191 1
1 1515 . 19 1 1 A 126 126 ARG N N 126 116.046 117.869 -1.823 1
1 1516 . 19 1 1 A 127 127 GLU H H 127 8.665 8.614 0.051 1
1 1517 . 19 1 1 A 127 127 GLU HA H 127 4.436 5.206 -0.770 1
1 1522 . 19 1 1 A 127 127 GLU C C 127 176.050 174.858 1.192 1
1 1523 . 19 1 1 A 127 127 GLU CA C 127 55.552 54.385 1.167 1
1 1524 . 19 1 1 A 127 127 GLU CB C 127 30.600 34.065 -3.465 1
1 1 . 20 1 1 A 2 2 THR HA H 2 4.479 5.003 -0.524 1
1 6 . 20 1 1 A 2 2 THR C C 2 174.348 172.600 1.748 1
1 7 . 20 1 1 A 2 2 THR CA C 2 61.838 59.931 1.907 1
1 8 . 20 1 1 A 2 2 THR CB C 2 69.919 72.165 -2.246 1
1 10 . 20 1 1 A 3 3 THR H H 3 8.289 8.515 -0.226 1
1 11 . 20 1 1 A 3 3 THR HA H 3 4.282 4.528 -0.246 1
1 16 . 20 1 1 A 3 3 THR C C 3 174.404 173.959 0.445 1
1 17 . 20 1 1 A 3 3 THR CA C 3 62.140 62.665 -0.525 1
1 18 . 20 1 1 A 3 3 THR CB C 3 69.658 69.563 0.095 1
1 20 . 20 1 1 A 3 3 THR N N 3 116.640 118.239 -1.599 1
1 21 . 20 1 1 A 4 4 GLU H H 4 8.567 8.812 -0.245 1
1 22 . 20 1 1 A 4 4 GLU HA H 4 4.156 4.354 -0.198 1
1 27 . 20 1 1 A 4 4 GLU C C 4 176.216 175.955 0.261 1
1 28 . 20 1 1 A 4 4 GLU CA C 4 56.929 55.856 1.073 1
1 29 . 20 1 1 A 4 4 GLU CB C 4 29.821 27.800 2.021 1
1 31 . 20 1 1 A 4 4 GLU N N 4 123.469 126.141 -2.672 1
1 32 . 20 1 1 A 5 5 GLN H H 5 8.222 8.197 0.025 1
1 33 . 20 1 1 A 5 5 GLN HA H 5 4.167 4.027 0.140 1
1 40 . 20 1 1 A 5 5 GLN C C 5 175.216 174.769 0.447 1
1 41 . 20 1 1 A 5 5 GLN CA C 5 55.674 56.674 -1.000 1
1 42 . 20 1 1 A 5 5 GLN CB C 5 29.553 27.641 1.912 1
1 45 . 20 1 1 A 5 5 GLN N N 5 120.797 115.042 5.755 1
1 47 . 20 1 1 A 6 6 GLU H H 6 8.171 8.757 -0.586 1
1 48 . 20 1 1 A 6 6 GLU HA H 6 4.080 4.176 -0.096 1
1 53 . 20 1 1 A 6 6 GLU C C 6 175.870 175.615 0.255 1
1 54 . 20 1 1 A 6 6 GLU CA C 6 56.400 55.295 1.105 1
1 55 . 20 1 1 A 6 6 GLU CB C 6 30.335 27.969 2.366 1
1 57 . 20 1 1 A 6 6 GLU N N 6 122.100 124.634 -2.534 1
1 58 . 20 1 1 A 7 7 PHE H H 7 8.051 7.372 0.679 1
1 59 . 20 1 1 A 7 7 PHE HA H 7 4.710 4.862 -0.152 1
1 67 . 20 1 1 A 7 7 PHE C C 7 175.461 174.403 1.058 1
1 68 . 20 1 1 A 7 7 PHE CA C 7 56.825 56.147 0.678 1
1 69 . 20 1 1 A 7 7 PHE CB C 7 39.812 40.051 -0.239 1
1 70 . 20 1 1 A 7 7 PHE N N 7 120.500 119.324 1.176 1
1 71 . 20 1 1 A 8 8 GLU H H 8 8.626 8.841 -0.215 1
1 72 . 20 1 1 A 8 8 GLU HA H 8 4.193 4.802 -0.609 1
1 77 . 20 1 1 A 8 8 GLU C C 8 176.141 175.849 0.292 1
1 78 . 20 1 1 A 8 8 GLU CA C 8 56.932 55.197 1.735 1
1 79 . 20 1 1 A 8 8 GLU CB C 8 30.794 31.285 -0.491 1
1 81 . 20 1 1 A 8 8 GLU N N 8 123.469 122.288 1.181 1
1 82 . 20 1 1 A 9 9 LYS H H 9 8.396 8.591 -0.195 1
1 83 . 20 1 1 A 9 9 LYS HA H 9 5.100 4.944 0.156 1
1 92 . 20 1 1 A 9 9 LYS C C 9 176.168 175.315 0.853 1
1 93 . 20 1 1 A 9 9 LYS CA C 9 55.428 54.955 0.473 1
1 94 . 20 1 1 A 9 9 LYS CB C 9 34.214 34.844 -0.630 1
1 98 . 20 1 1 A 9 9 LYS N N 9 124.954 124.550 0.404 1
1 99 . 20 1 1 A 10 10 VAL H H 10 9.445 8.874 0.571 1
1 100 . 20 1 1 A 10 10 VAL HA H 10 4.278 4.511 -0.233 1
1 108 . 20 1 1 A 10 10 VAL C C 10 174.967 174.935 0.032 1
1 109 . 20 1 1 A 10 10 VAL CA C 10 60.951 61.766 -0.815 1
1 110 . 20 1 1 A 10 10 VAL CB C 10 34.681 32.785 1.896 1
1 113 . 20 1 1 A 10 10 VAL N N 10 124.360 123.104 1.256 1
1 114 . 20 1 1 A 11 11 GLU H H 11 9.021 8.674 0.347 1
1 115 . 20 1 1 A 11 11 GLU HA H 11 4.369 4.777 -0.408 1
1 120 . 20 1 1 A 11 11 GLU C C 11 174.797 176.014 -1.217 1
1 121 . 20 1 1 A 11 11 GLU CA C 11 56.728 55.537 1.191 1
1 122 . 20 1 1 A 11 11 GLU CB C 11 28.655 30.998 -2.343 1
1 124 . 20 1 1 A 11 11 GLU N N 11 127.924 127.727 0.197 1
1 125 . 20 1 1 A 12 12 LEU H H 12 8.396 8.703 -0.307 1
1 126 . 20 1 1 A 12 12 LEU HA H 12 4.311 3.806 0.505 1
1 136 . 20 1 1 A 12 12 LEU C C 12 176.600 175.649 0.951 1
1 137 . 20 1 1 A 12 12 LEU CA C 12 55.292 55.990 -0.698 1
1 138 . 20 1 1 A 12 12 LEU CB C 12 42.624 40.794 1.830 1
1 142 . 20 1 1 A 12 12 LEU N N 12 124.954 120.057 4.897 1
1 143 . 20 1 1 A 13 13 THR H H 13 7.328 7.822 -0.494 1
1 144 . 20 1 1 A 13 13 THR HA H 13 4.530 4.220 0.310 1
1 149 . 20 1 1 A 13 13 THR C C 13 175.180 176.175 -0.995 1
1 150 . 20 1 1 A 13 13 THR CA C 13 59.603 62.413 -2.810 1
1 151 . 20 1 1 A 13 13 THR CB C 13 70.742 69.460 1.282 1
1 153 . 20 1 1 A 13 13 THR N N 13 106.841 112.798 -5.957 1
1 154 . 20 1 1 A 14 14 ALA H H 14 8.689 8.823 -0.134 1
1 155 . 20 1 1 A 14 14 ALA HA H 14 4.247 4.079 0.168 1
1 159 . 20 1 1 A 14 14 ALA C C 14 177.522 177.858 -0.336 1
1 160 . 20 1 1 A 14 14 ALA CA C 14 53.875 54.120 -0.245 1
1 161 . 20 1 1 A 14 14 ALA CB C 14 17.920 18.654 -0.734 1
1 162 . 20 1 1 A 14 14 ALA N N 14 123.733 129.787 -6.054 1
1 163 . 20 1 1 A 15 15 ASP H H 15 7.516 7.743 -0.227 1
1 164 . 20 1 1 A 15 15 ASP HA H 15 4.518 4.764 -0.246 1
1 167 . 20 1 1 A 15 15 ASP C C 15 177.402 176.195 1.207 1
1 168 . 20 1 1 A 15 15 ASP CA C 15 52.635 53.642 -1.007 1
1 169 . 20 1 1 A 15 15 ASP CB C 15 40.912 41.142 -0.230 1
1 170 . 20 1 1 A 15 15 ASP N N 15 113.967 117.042 -3.075 1
1 171 . 20 1 1 A 16 16 GLY H H 16 7.986 8.011 -0.025 1
1 172 . 20 1 1 A 16 16 GLY HA2 H 16 4.080 3.981 0.099 1
1 173 . 20 1 1 A 16 16 GLY HA3 H 16 3.529 3.994 -0.465 1
1 174 . 20 1 1 A 16 16 GLY C C 16 175.233 175.279 -0.046 1
1 175 . 20 1 1 A 16 16 GLY CA C 16 45.798 44.952 0.846 1
1 176 . 20 1 1 A 16 16 GLY N N 16 108.919 106.761 2.158 1
1 177 . 20 1 1 A 17 17 GLY H H 17 8.681 8.585 0.096 1
1 178 . 20 1 1 A 17 17 GLY HA2 H 17 4.513 3.941 0.572 1
1 179 . 20 1 1 A 17 17 GLY HA3 H 17 4.513 3.957 0.556 1
1 180 . 20 1 1 A 17 17 GLY C C 17 172.684 174.103 -1.419 1
1 181 . 20 1 1 A 17 17 GLY CA C 17 46.672 46.831 -0.159 1
1 182 . 20 1 1 A 17 17 GLY N N 17 108.663 109.216 -0.553 1
1 183 . 20 1 1 A 18 18 VAL H H 18 6.903 7.493 -0.590 1
1 184 . 20 1 1 A 18 18 VAL HA H 18 4.855 4.182 0.673 1
1 192 . 20 1 1 A 18 18 VAL C C 18 174.737 174.463 0.274 1
1 193 . 20 1 1 A 18 18 VAL CA C 18 62.035 60.135 1.900 1
1 194 . 20 1 1 A 18 18 VAL CB C 18 33.315 35.415 -2.100 1
1 197 . 20 1 1 A 18 18 VAL N N 18 117.234 118.430 -1.196 1
1 198 . 20 1 1 A 19 19 ILE H H 19 8.243 8.428 -0.185 1
1 199 . 20 1 1 A 19 19 ILE HA H 19 4.665 4.704 -0.039 1
1 209 . 20 1 1 A 19 19 ILE C C 19 174.360 175.618 -1.258 1
1 210 . 20 1 1 A 19 19 ILE CA C 19 60.736 60.528 0.208 1
1 211 . 20 1 1 A 19 19 ILE CB C 19 41.856 37.202 4.654 1
1 215 . 20 1 1 A 19 19 ILE N N 19 126.439 126.423 0.016 1
1 216 . 20 1 1 A 20 20 LYS H H 20 9.345 8.607 0.738 1
1 217 . 20 1 1 A 20 20 LYS HA H 20 5.296 5.037 0.259 1
1 226 . 20 1 1 A 20 20 LYS C C 20 173.618 174.885 -1.267 1
1 227 . 20 1 1 A 20 20 LYS CA C 20 54.842 54.382 0.460 1
1 228 . 20 1 1 A 20 20 LYS CB C 20 36.261 36.121 0.140 1
1 232 . 20 1 1 A 20 20 LYS N N 20 129.408 124.652 4.756 1
1 233 . 20 1 1 A 21 21 THR H H 21 9.597 9.317 0.280 1
1 234 . 20 1 1 A 21 21 THR HA H 21 4.923 4.734 0.189 1
1 239 . 20 1 1 A 21 21 THR C C 21 174.648 173.807 0.841 1
1 240 . 20 1 1 A 21 21 THR CA C 21 61.703 62.016 -0.313 1
1 241 . 20 1 1 A 21 21 THR CB C 21 70.230 70.469 -0.239 1
1 243 . 20 1 1 A 21 21 THR N N 21 123.469 116.467 7.002 1
1 244 . 20 1 1 A 22 22 ILE H H 22 9.248 8.711 0.537 1
1 245 . 20 1 1 A 22 22 ILE HA H 22 3.637 4.165 -0.528 1
1 255 . 20 1 1 A 22 22 ILE C C 22 174.348 175.082 -0.734 1
1 256 . 20 1 1 A 22 22 ILE CA C 22 64.258 62.413 1.845 1
1 257 . 20 1 1 A 22 22 ILE CB C 22 37.551 38.320 -0.769 1
1 261 . 20 1 1 A 22 22 ILE N N 22 128.517 128.034 0.483 1
1 262 . 20 1 1 A 23 23 LEU H H 23 8.498 8.555 -0.057 1
1 263 . 20 1 1 A 23 23 LEU HA H 23 4.180 4.519 -0.339 1
1 273 . 20 1 1 A 23 23 LEU C C 23 177.521 176.853 0.668 1
1 274 . 20 1 1 A 23 23 LEU CA C 23 55.460 55.899 -0.439 1
1 275 . 20 1 1 A 23 23 LEU CB C 23 42.239 43.590 -1.351 1
1 279 . 20 1 1 A 23 23 LEU N N 23 128.517 129.837 -1.320 1
1 280 . 20 1 1 A 24 24 LYS H H 24 8.020 8.050 -0.030 1
1 281 . 20 1 1 A 24 24 LYS HA H 24 4.392 4.905 -0.513 1
1 290 . 20 1 1 A 24 24 LYS C C 24 174.465 174.636 -0.171 1
1 291 . 20 1 1 A 24 24 LYS CA C 24 55.848 54.783 1.065 1
1 292 . 20 1 1 A 24 24 LYS CB C 24 35.692 36.072 -0.380 1
1 296 . 20 1 1 A 24 24 LYS N N 24 120.797 116.738 4.059 1
1 297 . 20 1 1 A 25 25 LYS H H 25 8.657 8.845 -0.188 1
1 298 . 20 1 1 A 25 25 LYS HA H 25 4.178 5.035 -0.857 1
1 307 . 20 1 1 A 25 25 LYS C C 25 177.616 175.214 2.402 1
1 308 . 20 1 1 A 25 25 LYS CA C 25 57.218 54.242 2.976 1
1 309 . 20 1 1 A 25 25 LYS CB C 25 32.846 36.232 -3.386 1
1 313 . 20 1 1 A 25 25 LYS N N 25 126.439 122.781 3.658 1
1 314 . 20 1 1 A 26 26 GLY H H 26 9.728 9.057 0.671 1
1 315 . 20 1 1 A 26 26 GLY HA2 H 26 3.408 4.277 -0.869 1
1 316 . 20 1 1 A 26 26 GLY HA3 H 26 4.120 4.281 -0.161 1
1 317 . 20 1 1 A 26 26 GLY C C 26 173.278 174.339 -1.061 1
1 318 . 20 1 1 A 26 26 GLY CA C 26 43.709 44.119 -0.410 1
1 319 . 20 1 1 A 26 26 GLY N N 26 110.404 107.116 3.288 1
1 320 . 20 1 1 A 27 27 ASP H H 27 8.550 8.615 -0.065 1
1 321 . 20 1 1 A 27 27 ASP HA H 27 4.401 4.678 -0.277 1
1 324 . 20 1 1 A 27 27 ASP C C 27 175.993 176.125 -0.132 1
1 325 . 20 1 1 A 27 27 ASP CA C 27 55.105 55.138 -0.033 1
1 326 . 20 1 1 A 27 27 ASP CB C 27 41.688 40.681 1.007 1
1 327 . 20 1 1 A 27 27 ASP N N 27 121.391 119.304 2.087 1
1 328 . 20 1 1 A 28 28 GLU H H 28 8.419 8.125 0.294 1
1 329 . 20 1 1 A 28 28 GLU HA H 28 4.063 4.932 -0.869 1
1 334 . 20 1 1 A 28 28 GLU C C 28 176.146 175.840 0.306 1
1 335 . 20 1 1 A 28 28 GLU CA C 28 57.076 55.198 1.878 1
1 336 . 20 1 1 A 28 28 GLU CB C 28 30.774 32.728 -1.954 1
1 338 . 20 1 1 A 28 28 GLU N N 28 120.203 115.045 5.158 1
1 339 . 20 1 1 A 29 29 GLY H H 29 8.364 8.339 0.025 1
1 340 . 20 1 1 A 29 29 GLY HA2 H 29 4.758 4.236 0.522 1
1 341 . 20 1 1 A 29 29 GLY HA3 H 29 4.584 4.237 0.347 1
1 342 . 20 1 1 A 29 29 GLY C C 29 175.976 174.836 1.140 1
1 343 . 20 1 1 A 29 29 GLY CA C 29 44.686 45.691 -1.005 1
1 344 . 20 1 1 A 29 29 GLY N N 29 110.404 107.751 2.653 1
1 345 . 20 1 1 A 30 30 GLU H H 30 8.867 8.439 0.428 1
1 346 . 20 1 1 A 30 30 GLU HA H 30 3.749 3.931 -0.182 1
1 351 . 20 1 1 A 30 30 GLU C C 30 177.872 178.081 -0.209 1
1 352 . 20 1 1 A 30 30 GLU CA C 30 59.045 59.233 -0.188 1
1 353 . 20 1 1 A 30 30 GLU CB C 30 29.030 29.679 -0.649 1
1 355 . 20 1 1 A 30 30 GLU N N 30 125.251 122.085 3.166 1
1 356 . 20 1 1 A 31 31 GLU H H 31 9.842 7.797 2.045 1
1 357 . 20 1 1 A 31 31 GLU HA H 31 4.312 4.485 -0.173 1
1 362 . 20 1 1 A 31 31 GLU C C 31 176.330 176.271 0.059 1
1 363 . 20 1 1 A 31 31 GLU CA C 31 57.437 55.706 1.731 1
1 364 . 20 1 1 A 31 31 GLU CB C 31 28.040 30.220 -2.180 1
1 366 . 20 1 1 A 31 31 GLU N N 31 118.421 118.525 -0.104 1
1 367 . 20 1 1 A 32 32 ASN H H 32 7.731 7.749 -0.018 1
1 368 . 20 1 1 A 32 32 ASN HA H 32 5.127 5.242 -0.115 1
1 373 . 20 1 1 A 32 32 ASN C C 32 172.750 173.967 -1.217 1
1 374 . 20 1 1 A 32 32 ASN CA C 32 54.111 52.400 1.711 1
1 375 . 20 1 1 A 32 32 ASN CB C 32 40.161 39.334 0.827 1
1 376 . 20 1 1 A 32 32 ASN N N 32 116.937 119.144 -2.207 1
1 378 . 20 1 1 A 33 33 ILE H H 33 7.105 8.608 -1.503 1
1 379 . 20 1 1 A 33 33 ILE HA H 33 4.793 4.653 0.140 1
1 389 . 20 1 1 A 33 33 ILE CA C 33 57.895 57.776 0.119 1
1 390 . 20 1 1 A 33 33 ILE CB C 33 40.609 41.670 -1.061 1
1 394 . 20 1 1 A 33 33 ILE N N 33 121.985 124.783 -2.798 1
1 395 . 20 1 1 A 34 34 PRO HA H 34 4.065 4.881 -0.816 1
1 402 . 20 1 1 A 34 34 PRO C C 34 173.754 176.164 -2.410 1
1 403 . 20 1 1 A 34 34 PRO CA C 34 61.962 62.651 -0.689 1
1 404 . 20 1 1 A 34 34 PRO CB C 34 31.877 31.505 0.372 1
1 407 . 20 1 1 A 35 35 LYS H H 35 7.101 8.681 -1.580 1
1 408 . 20 1 1 A 35 35 LYS HA H 35 4.377 4.790 -0.413 1
1 417 . 20 1 1 A 35 35 LYS C C 35 175.712 175.289 0.423 1
1 418 . 20 1 1 A 35 35 LYS CA C 35 53.404 54.659 -1.255 1
1 419 . 20 1 1 A 35 35 LYS CB C 35 35.229 36.612 -1.383 1
1 423 . 20 1 1 A 35 35 LYS N N 35 116.046 122.607 -6.561 1
1 424 . 20 1 1 A 36 36 LYS H H 36 8.144 8.582 -0.438 1
1 425 . 20 1 1 A 36 36 LYS HA H 36 3.515 3.921 -0.406 1
1 434 . 20 1 1 A 36 36 LYS C C 36 176.774 177.375 -0.601 1
1 435 . 20 1 1 A 36 36 LYS CA C 36 58.608 58.309 0.299 1
1 436 . 20 1 1 A 36 36 LYS CB C 36 32.089 32.129 -0.040 1
1 440 . 20 1 1 A 36 36 LYS N N 36 120.797 123.485 -2.688 1
1 441 . 20 1 1 A 37 37 GLY H H 37 9.113 8.969 0.144 1
1 442 . 20 1 1 A 37 37 GLY HA2 H 37 3.494 4.017 -0.523 1
1 443 . 20 1 1 A 37 37 GLY HA3 H 37 4.330 4.022 0.308 1
1 444 . 20 1 1 A 37 37 GLY C C 37 175.329 173.704 1.625 1
1 445 . 20 1 1 A 37 37 GLY CA C 37 44.853 45.068 -0.215 1
1 446 . 20 1 1 A 37 37 GLY N N 37 113.967 115.008 -1.041 1
1 447 . 20 1 1 A 38 38 ASN H H 38 8.447 7.995 0.452 1
1 448 . 20 1 1 A 38 38 ASN HA H 38 4.663 4.981 -0.318 1
1 453 . 20 1 1 A 38 38 ASN C C 38 174.878 175.143 -0.265 1
1 454 . 20 1 1 A 38 38 ASN CA C 38 53.557 52.258 1.299 1
1 455 . 20 1 1 A 38 38 ASN CB C 38 39.155 39.961 -0.806 1
1 457 . 20 1 1 A 38 38 ASN N N 38 117.828 119.137 -1.309 1
1 459 . 20 1 1 A 39 39 GLU H H 39 8.331 8.529 -0.198 1
1 460 . 20 1 1 A 39 39 GLU HA H 39 4.254 4.513 -0.259 1
1 465 . 20 1 1 A 39 39 GLU C C 39 175.656 176.558 -0.902 1
1 466 . 20 1 1 A 39 39 GLU CA C 39 55.804 56.424 -0.620 1
1 467 . 20 1 1 A 39 39 GLU CB C 39 31.464 29.887 1.577 1
1 469 . 20 1 1 A 39 39 GLU N N 39 121.094 123.123 -2.029 1
1 470 . 20 1 1 A 40 40 VAL H H 40 9.138 8.777 0.361 1
1 471 . 20 1 1 A 40 40 VAL HA H 40 4.699 4.978 -0.279 1
1 479 . 20 1 1 A 40 40 VAL C C 40 173.240 174.725 -1.485 1
1 480 . 20 1 1 A 40 40 VAL CA C 40 59.559 60.422 -0.863 1
1 481 . 20 1 1 A 40 40 VAL CB C 40 32.896 33.672 -0.776 1
1 484 . 20 1 1 A 40 40 VAL N N 40 125.845 120.208 5.637 1
1 485 . 20 1 1 A 41 41 THR H H 41 8.328 8.995 -0.667 1
1 486 . 20 1 1 A 41 41 THR HA H 41 4.982 5.147 -0.165 1
1 491 . 20 1 1 A 41 41 THR C C 41 174.455 173.900 0.555 1
1 492 . 20 1 1 A 41 41 THR CA C 41 61.964 61.873 0.091 1
1 493 . 20 1 1 A 41 41 THR CB C 41 69.623 70.475 -0.852 1
1 495 . 20 1 1 A 41 41 THR N N 41 117.531 117.352 0.179 1
1 496 . 20 1 1 A 42 42 VAL H H 42 9.581 8.861 0.720 1
1 497 . 20 1 1 A 42 42 VAL HA H 42 5.669 5.419 0.250 1
1 505 . 20 1 1 A 42 42 VAL C C 42 174.919 173.466 1.453 1
1 506 . 20 1 1 A 42 42 VAL CA C 42 57.930 58.453 -0.523 1
1 507 . 20 1 1 A 42 42 VAL CB C 42 35.321 35.243 0.078 1
1 510 . 20 1 1 A 42 42 VAL N N 42 117.828 119.762 -1.934 1
1 511 . 20 1 1 A 43 43 HIS H H 43 8.333 9.234 -0.901 1
1 512 . 20 1 1 A 43 43 HIS HA H 43 5.407 5.295 0.112 1
1 515 . 20 1 1 A 43 43 HIS C C 43 176.136 173.400 2.736 1
1 516 . 20 1 1 A 43 43 HIS CA C 43 54.147 54.267 -0.120 1
1 517 . 20 1 1 A 43 43 HIS CB C 43 35.339 32.626 2.713 1
1 518 . 20 1 1 A 43 43 HIS N N 43 119.906 122.989 -3.083 1
1 519 . 20 1 1 A 44 44 TYR H H 44 9.622 8.663 0.959 1
1 520 . 20 1 1 A 44 44 TYR HA H 44 6.247 6.500 -0.253 1
1 527 . 20 1 1 A 44 44 TYR C C 44 172.857 173.713 -0.856 1
1 528 . 20 1 1 A 44 44 TYR CA C 44 56.304 55.390 0.914 1
1 529 . 20 1 1 A 44 44 TYR CB C 44 43.537 42.692 0.845 1
1 530 . 20 1 1 A 44 44 TYR N N 44 117.234 122.132 -4.898 1
1 531 . 20 1 1 A 45 45 VAL H H 45 8.735 8.296 0.439 1
1 532 . 20 1 1 A 45 45 VAL HA H 45 4.520 4.738 -0.218 1
1 540 . 20 1 1 A 45 45 VAL C C 45 175.200 174.769 0.431 1
1 541 . 20 1 1 A 45 45 VAL CA C 45 62.212 60.373 1.839 1
1 542 . 20 1 1 A 45 45 VAL CB C 45 35.550 34.951 0.599 1
1 545 . 20 1 1 A 45 45 VAL N N 45 118.125 119.586 -1.461 1
1 546 . 20 1 1 A 46 46 GLY H H 46 9.126 8.427 0.699 1
1 547 . 20 1 1 A 46 46 GLY HA2 H 46 4.539 4.205 0.334 1
1 548 . 20 1 1 A 46 46 GLY HA3 H 46 4.506 4.295 0.211 1
1 549 . 20 1 1 A 46 46 GLY C C 46 170.771 171.553 -0.782 1
1 550 . 20 1 1 A 46 46 GLY CA C 46 45.601 46.107 -0.506 1
1 551 . 20 1 1 A 46 46 GLY N N 46 114.858 111.299 3.559 1
1 552 . 20 1 1 A 47 47 LYS H H 47 9.121 8.229 0.892 1
1 553 . 20 1 1 A 47 47 LYS HA H 47 5.176 3.802 1.374 1
1 562 . 20 1 1 A 47 47 LYS C C 47 175.830 174.124 1.706 1
1 563 . 20 1 1 A 47 47 LYS CA C 47 53.937 54.047 -0.110 1
1 564 . 20 1 1 A 47 47 LYS CB C 47 37.021 35.732 1.289 1
1 568 . 20 1 1 A 47 47 LYS N N 47 123.469 118.941 4.528 1
1 569 . 20 1 1 A 48 48 LEU H H 48 8.016 8.660 -0.644 1
1 570 . 20 1 1 A 48 48 LEU HA H 48 4.692 4.496 0.196 1
1 580 . 20 1 1 A 48 48 LEU C C 48 178.031 176.550 1.481 1
1 581 . 20 1 1 A 48 48 LEU CA C 48 54.231 54.430 -0.199 1
1 582 . 20 1 1 A 48 48 LEU CB C 48 41.678 41.628 0.050 1
1 586 . 20 1 1 A 48 48 LEU N N 48 121.391 123.061 -1.670 1
1 587 . 20 1 1 A 49 49 GLU H H 49 8.085 8.595 -0.510 1
1 588 . 20 1 1 A 49 49 GLU HA H 49 3.835 3.836 -0.001 1
1 593 . 20 1 1 A 49 49 GLU C C 49 178.118 178.162 -0.044 1
1 594 . 20 1 1 A 49 49 GLU CA C 49 59.974 59.674 0.300 1
1 595 . 20 1 1 A 49 49 GLU CB C 49 30.322 29.328 0.994 1
1 597 . 20 1 1 A 49 49 GLU N N 49 124.954 127.693 -2.739 1
1 598 . 20 1 1 A 50 50 SER H H 50 9.220 8.195 1.025 1
1 599 . 20 1 1 A 50 50 SER HA H 50 4.154 4.279 -0.125 1
1 602 . 20 1 1 A 50 50 SER C C 50 176.751 175.601 1.150 1
1 603 . 20 1 1 A 50 50 SER CA C 50 60.230 60.789 -0.559 1
1 604 . 20 1 1 A 50 50 SER CB C 50 62.229 62.886 -0.657 1
1 605 . 20 1 1 A 50 50 SER N N 50 112.186 114.547 -2.361 1
1 606 . 20 1 1 A 51 51 THR H H 51 6.784 7.918 -1.134 1
1 607 . 20 1 1 A 51 51 THR HA H 51 4.520 4.637 -0.117 1
1 612 . 20 1 1 A 51 51 THR C C 51 176.342 175.119 1.223 1
1 613 . 20 1 1 A 51 51 THR CA C 51 60.760 61.893 -1.133 1
1 614 . 20 1 1 A 51 51 THR CB C 51 71.046 71.000 0.046 1
1 616 . 20 1 1 A 51 51 THR N N 51 105.653 113.150 -7.497 1
1 617 . 20 1 1 A 52 52 GLY H H 52 8.296 8.424 -0.128 1
1 618 . 20 1 1 A 52 52 GLY HA2 H 52 3.680 3.909 -0.229 1
1 619 . 20 1 1 A 52 52 GLY HA3 H 52 4.096 3.919 0.177 1
1 620 . 20 1 1 A 52 52 GLY C C 52 173.336 174.497 -1.161 1
1 621 . 20 1 1 A 52 52 GLY CA C 52 45.711 45.631 0.080 1
1 622 . 20 1 1 A 52 52 GLY N N 52 112.483 111.294 1.189 1
1 623 . 20 1 1 A 53 53 LYS H H 53 7.479 7.843 -0.364 1
1 624 . 20 1 1 A 53 53 LYS HA H 53 4.218 4.339 -0.121 1
1 633 . 20 1 1 A 53 53 LYS C C 53 176.513 175.682 0.831 1
1 634 . 20 1 1 A 53 53 LYS CA C 53 56.217 55.879 0.338 1
1 635 . 20 1 1 A 53 53 LYS CB C 53 33.430 31.950 1.480 1
1 639 . 20 1 1 A 53 53 LYS N N 53 119.609 120.093 -0.484 1
1 640 . 20 1 1 A 54 54 VAL H H 54 8.511 8.339 0.172 1
1 641 . 20 1 1 A 54 54 VAL HA H 54 4.244 4.058 0.186 1
1 649 . 20 1 1 A 54 54 VAL C C 54 176.879 176.424 0.455 1
1 650 . 20 1 1 A 54 54 VAL CA C 54 62.409 62.379 0.030 1
1 651 . 20 1 1 A 54 54 VAL CB C 54 32.697 32.971 -0.274 1
1 654 . 20 1 1 A 54 54 VAL N N 54 126.109 126.365 -0.256 1
1 655 . 20 1 1 A 55 55 PHE H H 55 8.325 8.101 0.224 1
1 656 . 20 1 1 A 55 55 PHE HA H 55 5.036 4.805 0.231 1
1 664 . 20 1 1 A 55 55 PHE C C 55 174.856 175.181 -0.325 1
1 665 . 20 1 1 A 55 55 PHE CA C 55 55.758 58.716 -2.958 1
1 666 . 20 1 1 A 55 55 PHE CB C 55 40.399 39.865 0.534 1
1 667 . 20 1 1 A 55 55 PHE N N 55 124.063 127.109 -3.046 1
1 668 . 20 1 1 A 56 56 ASP H H 56 6.884 9.024 -2.140 1
1 669 . 20 1 1 A 56 56 ASP HA H 56 4.801 5.498 -0.697 1
1 672 . 20 1 1 A 56 56 ASP C C 56 173.688 174.175 -0.487 1
1 673 . 20 1 1 A 56 56 ASP CA C 56 54.956 53.379 1.577 1
1 674 . 20 1 1 A 56 56 ASP CB C 56 43.616 41.789 1.827 1
1 675 . 20 1 1 A 56 56 ASP N N 56 120.500 123.069 -2.569 1
1 676 . 20 1 1 A 57 57 SER H H 57 8.038 8.771 -0.733 1
1 677 . 20 1 1 A 57 57 SER HA H 57 4.796 4.809 -0.013 1
1 680 . 20 1 1 A 57 57 SER C C 57 174.997 174.343 0.654 1
1 681 . 20 1 1 A 57 57 SER CA C 57 55.792 57.072 -1.280 1
1 682 . 20 1 1 A 57 57 SER CB C 57 64.961 66.403 -1.442 1
1 683 . 20 1 1 A 57 57 SER N N 57 118.421 119.995 -1.574 1
1 684 . 20 1 1 A 58 58 SER H H 58 8.429 8.786 -0.357 1
1 685 . 20 1 1 A 58 58 SER HA H 58 4.080 3.972 0.108 1
1 688 . 20 1 1 A 58 58 SER C C 58 177.399 175.327 2.072 1
1 689 . 20 1 1 A 58 58 SER CA C 58 61.499 62.168 -0.669 1
1 690 . 20 1 1 A 58 58 SER CB C 58 65.069 62.720 2.349 1
1 691 . 20 1 1 A 58 58 SER N N 58 123.766 117.176 6.590 1
1 692 . 20 1 1 A 59 59 PHE H H 59 7.276 7.469 -0.193 1
1 693 . 20 1 1 A 59 59 PHE HA H 59 3.851 4.468 -0.617 1
1 701 . 20 1 1 A 59 59 PHE C C 59 178.929 178.094 0.835 1
1 702 . 20 1 1 A 59 59 PHE CA C 59 61.010 60.052 0.958 1
1 703 . 20 1 1 A 59 59 PHE CB C 59 38.129 40.328 -2.199 1
1 704 . 20 1 1 A 59 59 PHE N N 59 121.845 118.582 3.263 1
1 705 . 20 1 1 A 60 60 ASP H H 60 7.534 8.660 -1.126 1
1 706 . 20 1 1 A 60 60 ASP HA H 60 4.343 4.409 -0.066 1
1 709 . 20 1 1 A 60 60 ASP C C 60 177.295 177.841 -0.546 1
1 710 . 20 1 1 A 60 60 ASP CA C 60 56.921 56.928 -0.007 1
1 711 . 20 1 1 A 60 60 ASP CB C 60 40.298 40.148 0.150 1
1 712 . 20 1 1 A 60 60 ASP N N 60 119.015 119.612 -0.597 1
1 713 . 20 1 1 A 61 61 ARG H H 61 7.224 8.200 -0.976 1
1 714 . 20 1 1 A 61 61 ARG HA H 61 4.378 4.264 0.114 1
1 721 . 20 1 1 A 61 61 ARG C C 61 175.798 176.747 -0.949 1
1 722 . 20 1 1 A 61 61 ARG CA C 61 55.209 57.216 -2.007 1
1 723 . 20 1 1 A 61 61 ARG CB C 61 32.610 29.734 2.876 1
1 726 . 20 1 1 A 61 61 ARG N N 61 115.452 117.936 -2.484 1
1 727 . 20 1 1 A 62 62 ASN H H 62 7.946 8.614 -0.668 1
1 728 . 20 1 1 A 62 62 ASN HA H 62 4.392 5.040 -0.648 1
1 733 . 20 1 1 A 62 62 ASN C C 62 173.776 174.685 -0.909 1
1 734 . 20 1 1 A 62 62 ASN CA C 62 54.269 54.821 -0.552 1
1 735 . 20 1 1 A 62 62 ASN CB C 62 38.597 41.267 -2.670 1
1 737 . 20 1 1 A 62 62 ASN N N 62 115.196 117.469 -2.273 1
1 739 . 20 1 1 A 63 63 VAL H H 63 7.278 8.212 -0.934 1
1 740 . 20 1 1 A 63 63 VAL HA H 63 4.628 4.575 0.053 1
1 748 . 20 1 1 A 63 63 VAL CA C 63 62.601 58.558 4.043 1
1 749 . 20 1 1 A 63 63 VAL CB C 63 35.186 34.320 0.866 1
1 752 . 20 1 1 A 63 63 VAL N N 63 115.155 117.604 -2.449 1
1 753 . 20 1 1 A 64 64 PRO HA H 64 4.516 4.880 -0.364 1
1 760 . 20 1 1 A 64 64 PRO C C 64 174.254 176.462 -2.208 1
1 761 . 20 1 1 A 64 64 PRO CA C 64 62.601 62.477 0.124 1
1 762 . 20 1 1 A 64 64 PRO CB C 64 31.977 31.962 0.015 1
1 765 . 20 1 1 A 65 65 PHE H H 65 9.109 8.520 0.589 1
1 766 . 20 1 1 A 65 65 PHE HA H 65 4.821 4.924 -0.103 1
1 774 . 20 1 1 A 65 65 PHE C C 65 173.320 174.654 -1.334 1
1 775 . 20 1 1 A 65 65 PHE CA C 65 57.292 57.670 -0.378 1
1 776 . 20 1 1 A 65 65 PHE CB C 65 42.894 41.006 1.888 1
1 777 . 20 1 1 A 65 65 PHE N N 65 123.469 123.085 0.384 1
1 778 . 20 1 1 A 66 66 LYS H H 66 7.474 8.953 -1.479 1
1 779 . 20 1 1 A 66 66 LYS HA H 66 5.378 5.302 0.076 1
1 788 . 20 1 1 A 66 66 LYS C C 66 175.026 174.729 0.297 1
1 789 . 20 1 1 A 66 66 LYS CA C 66 53.876 54.603 -0.727 1
1 790 . 20 1 1 A 66 66 LYS CB C 66 35.471 36.967 -1.496 1
1 794 . 20 1 1 A 66 66 LYS N N 66 125.548 122.812 2.736 1
1 795 . 20 1 1 A 67 67 PHE H H 67 8.114 8.603 -0.489 1
1 796 . 20 1 1 A 67 67 PHE HA H 67 4.469 5.223 -0.754 1
1 804 . 20 1 1 A 67 67 PHE C C 67 172.049 172.105 -0.056 1
1 805 . 20 1 1 A 67 67 PHE CA C 67 55.662 55.643 0.019 1
1 806 . 20 1 1 A 67 67 PHE CB C 67 40.087 41.758 -1.671 1
1 807 . 20 1 1 A 67 67 PHE N N 67 115.419 117.028 -1.609 1
1 808 . 20 1 1 A 68 68 HIS H H 68 8.983 8.923 0.060 1
1 809 . 20 1 1 A 68 68 HIS HA H 68 5.482 5.738 -0.256 1
1 812 . 20 1 1 A 68 68 HIS C C 68 174.742 174.826 -0.084 1
1 813 . 20 1 1 A 68 68 HIS CA C 68 55.348 54.533 0.815 1
1 814 . 20 1 1 A 68 68 HIS CB C 68 28.470 32.818 -4.348 1
1 815 . 20 1 1 A 68 68 HIS N N 68 118.421 117.035 1.386 1
1 816 . 20 1 1 A 69 69 LEU H H 69 8.317 8.766 -0.449 1
1 817 . 20 1 1 A 69 69 LEU HA H 69 4.016 4.417 -0.401 1
1 827 . 20 1 1 A 69 69 LEU CA C 69 56.060 56.166 -0.106 1
1 828 . 20 1 1 A 69 69 LEU CB C 69 42.903 42.178 0.725 1
1 832 . 20 1 1 A 69 69 LEU N N 69 126.736 124.712 2.024 1
1 833 . 20 1 1 A 70 70 GLU H H 70 9.618 8.958 0.660 1
1 834 . 20 1 1 A 70 70 GLU HA H 70 3.847 3.903 -0.056 1
1 839 . 20 1 1 A 70 70 GLU C C 70 174.818 176.840 -2.022 1
1 840 . 20 1 1 A 70 70 GLU CA C 70 58.625 57.541 1.084 1
1 841 . 20 1 1 A 70 70 GLU CB C 70 27.456 27.915 -0.459 1
1 843 . 20 1 1 A 70 70 GLU N N 70 124.954 125.391 -0.437 1
1 844 . 20 1 1 A 71 71 GLN H H 71 8.248 8.036 0.212 1
1 845 . 20 1 1 A 71 71 GLN HA H 71 4.678 4.536 0.142 1
1 852 . 20 1 1 A 71 71 GLN CA C 71 54.218 54.800 -0.582 1
1 853 . 20 1 1 A 71 71 GLN CB C 71 30.422 29.309 1.113 1
1 856 . 20 1 1 A 71 71 GLN N N 71 114.858 118.173 -3.315 1
1 858 . 20 1 1 A 72 72 GLY H H 72 8.362 8.001 0.361 1
1 859 . 20 1 1 A 72 72 GLY HA2 H 72 4.145 4.000 0.145 1
1 860 . 20 1 1 A 72 72 GLY HA3 H 72 4.059 4.005 0.054 1
1 861 . 20 1 1 A 72 72 GLY C C 72 175.783 175.673 0.110 1
1 862 . 20 1 1 A 72 72 GLY CA C 72 46.838 45.731 1.107 1
1 863 . 20 1 1 A 72 72 GLY N N 72 110.404 109.842 0.562 1
1 864 . 20 1 1 A 73 73 GLU H H 73 9.085 8.327 0.758 1
1 865 . 20 1 1 A 73 73 GLU HA H 73 4.187 4.306 -0.119 1
1 870 . 20 1 1 A 73 73 GLU C C 73 175.522 176.527 -1.005 1
1 871 . 20 1 1 A 73 73 GLU CA C 73 57.443 58.075 -0.632 1
1 872 . 20 1 1 A 73 73 GLU CB C 73 31.378 30.169 1.209 1
1 874 . 20 1 1 A 73 73 GLU N N 73 118.421 118.201 0.220 1
1 875 . 20 1 1 A 74 74 VAL H H 74 6.862 7.547 -0.685 1
1 876 . 20 1 1 A 74 74 VAL HA H 74 4.281 4.176 0.105 1
1 884 . 20 1 1 A 74 74 VAL C C 74 175.773 175.515 0.258 1
1 885 . 20 1 1 A 74 74 VAL CA C 74 57.468 61.056 -3.588 1
1 886 . 20 1 1 A 74 74 VAL CB C 74 36.344 33.041 3.303 1
1 889 . 20 1 1 A 74 74 VAL N N 74 108.919 116.537 -7.618 1
1 890 . 20 1 1 A 75 75 ILE H H 75 7.462 9.060 -1.598 1
1 891 . 20 1 1 A 75 75 ILE HA H 75 3.844 4.197 -0.353 1
1 901 . 20 1 1 A 75 75 ILE C C 75 177.618 177.170 0.448 1
1 902 . 20 1 1 A 75 75 ILE CA C 75 62.213 62.341 -0.128 1
1 903 . 20 1 1 A 75 75 ILE CB C 75 37.337 37.950 -0.613 1
1 907 . 20 1 1 A 75 75 ILE N N 75 113.373 123.749 -10.376 1
1 908 . 20 1 1 A 76 76 LYS H H 76 9.047 8.149 0.898 1
1 909 . 20 1 1 A 76 76 LYS HA H 76 4.282 4.445 -0.163 1
1 918 . 20 1 1 A 76 76 LYS C C 76 180.009 178.188 1.821 1
1 919 . 20 1 1 A 76 76 LYS CA C 76 59.482 56.926 2.556 1
1 920 . 20 1 1 A 76 76 LYS CB C 76 32.740 35.014 -2.274 1
1 924 . 20 1 1 A 76 76 LYS N N 76 124.954 120.848 4.106 1
1 925 . 20 1 1 A 77 77 GLY H H 77 9.775 8.131 1.644 1
1 926 . 20 1 1 A 77 77 GLY HA2 H 77 3.786 3.272 0.514 1
1 927 . 20 1 1 A 77 77 GLY HA3 H 77 3.618 3.332 0.286 1
1 928 . 20 1 1 A 77 77 GLY C C 77 175.261 176.429 -1.168 1
1 929 . 20 1 1 A 77 77 GLY CA C 77 47.402 47.041 0.361 1
1 930 . 20 1 1 A 77 77 GLY N N 77 101.199 108.083 -6.884 1
1 931 . 20 1 1 A 78 78 TRP H H 78 7.817 7.921 -0.104 1
1 932 . 20 1 1 A 78 78 TRP HA H 78 4.017 4.805 -0.788 1
1 940 . 20 1 1 A 78 78 TRP C C 78 177.610 177.997 -0.387 1
1 941 . 20 1 1 A 78 78 TRP CA C 78 61.524 60.336 1.188 1
1 942 . 20 1 1 A 78 78 TRP CB C 78 28.655 29.263 -0.608 1
1 943 . 20 1 1 A 78 78 TRP N N 78 120.203 122.432 -2.229 1
1 944 . 20 1 1 A 79 79 ASP H H 79 6.967 8.305 -1.338 1
1 945 . 20 1 1 A 79 79 ASP HA H 79 4.738 4.450 0.288 1
1 948 . 20 1 1 A 79 79 ASP C C 79 179.125 179.142 -0.017 1
1 949 . 20 1 1 A 79 79 ASP CA C 79 58.492 57.703 0.789 1
1 950 . 20 1 1 A 79 79 ASP CB C 79 41.181 41.721 -0.540 1
1 951 . 20 1 1 A 79 79 ASP N N 79 121.688 120.144 1.544 1
1 952 . 20 1 1 A 80 80 ILE H H 80 8.173 7.670 0.503 1
1 953 . 20 1 1 A 80 80 ILE HA H 80 3.617 3.660 -0.043 1
1 963 . 20 1 1 A 80 80 ILE C C 80 177.849 177.671 0.178 1
1 964 . 20 1 1 A 80 80 ILE CA C 80 64.758 64.966 -0.208 1
1 965 . 20 1 1 A 80 80 ILE CB C 80 39.198 37.555 1.643 1
1 969 . 20 1 1 A 80 80 ILE N N 80 118.125 118.820 -0.695 1
1 970 . 20 1 1 A 81 81 CYS H H 81 7.961 8.301 -0.340 1
1 971 . 20 1 1 A 81 81 CYS HA H 81 4.456 4.071 0.385 1
1 974 . 20 1 1 A 81 81 CYS C C 81 178.812 176.768 2.044 1
1 975 . 20 1 1 A 81 81 CYS CA C 81 63.059 62.596 0.463 1
1 976 . 20 1 1 A 81 81 CYS CB C 81 27.732 26.594 1.138 1
1 977 . 20 1 1 A 81 81 CYS N N 81 116.937 121.121 -4.184 1
1 978 . 20 1 1 A 82 82 VAL H H 82 9.434 8.322 1.112 1
1 979 . 20 1 1 A 82 82 VAL HA H 82 3.476 3.847 -0.371 1
1 987 . 20 1 1 A 82 82 VAL C C 82 176.456 178.118 -1.662 1
1 988 . 20 1 1 A 82 82 VAL CA C 82 66.977 65.072 1.905 1
1 989 . 20 1 1 A 82 82 VAL CB C 82 30.171 31.745 -1.574 1
1 992 . 20 1 1 A 82 82 VAL N N 82 121.688 119.059 2.629 1
1 993 . 20 1 1 A 83 83 SER H H 83 7.541 8.008 -0.467 1
1 994 . 20 1 1 A 83 83 SER HA H 83 3.964 4.162 -0.198 1
1 997 . 20 1 1 A 83 83 SER C C 83 173.661 175.734 -2.073 1
1 998 . 20 1 1 A 83 83 SER CA C 83 61.551 61.222 0.329 1
1 999 . 20 1 1 A 83 83 SER CB C 83 63.239 63.267 -0.028 1
1 1000 . 20 1 1 A 83 83 SER N N 83 111.889 117.375 -5.486 1
1 1001 . 20 1 1 A 84 84 SER H H 84 7.471 7.637 -0.166 1
1 1002 . 20 1 1 A 84 84 SER HA H 84 4.530 4.600 -0.070 1
1 1005 . 20 1 1 A 84 84 SER C C 84 174.314 174.016 0.298 1
1 1006 . 20 1 1 A 84 84 SER CA C 84 58.440 57.426 1.014 1
1 1007 . 20 1 1 A 84 84 SER CB C 84 65.929 63.589 2.340 1
1 1008 . 20 1 1 A 84 84 SER N N 84 114.264 114.310 -0.046 1
1 1009 . 20 1 1 A 85 85 MET H H 85 7.441 7.227 0.214 1
1 1010 . 20 1 1 A 85 85 MET HA H 85 4.262 4.854 -0.592 1
1 1015 . 20 1 1 A 85 85 MET C C 85 172.768 174.464 -1.696 1
1 1016 . 20 1 1 A 85 85 MET CA C 85 56.502 54.046 2.456 1
1 1017 . 20 1 1 A 85 85 MET CB C 85 36.378 35.444 0.934 1
1 1019 . 20 1 1 A 85 85 MET N N 85 124.657 120.478 4.179 1
1 1020 . 20 1 1 A 86 86 ARG H H 86 7.045 8.475 -1.430 1
1 1021 . 20 1 1 A 86 86 ARG HA H 86 4.879 4.685 0.194 1
1 1028 . 20 1 1 A 86 86 ARG C C 86 177.468 176.111 1.357 1
1 1029 . 20 1 1 A 86 86 ARG CA C 86 53.395 53.952 -0.557 1
1 1030 . 20 1 1 A 86 86 ARG CB C 86 33.244 33.829 -0.585 1
1 1033 . 20 1 1 A 86 86 ARG N N 86 114.264 118.662 -4.398 1
1 1034 . 20 1 1 A 87 87 LYS H H 87 8.818 8.551 0.267 1
1 1035 . 20 1 1 A 87 87 LYS HA H 87 3.554 3.920 -0.366 1
1 1044 . 20 1 1 A 87 87 LYS C C 87 175.382 176.990 -1.608 1
1 1045 . 20 1 1 A 87 87 LYS CA C 87 60.175 58.473 1.702 1
1 1046 . 20 1 1 A 87 87 LYS CB C 87 33.195 32.477 0.718 1
1 1050 . 20 1 1 A 87 87 LYS N N 87 121.391 123.042 -1.651 1
1 1051 . 20 1 1 A 88 88 ASN H H 88 8.943 7.903 1.040 1
1 1052 . 20 1 1 A 88 88 ASN HA H 88 4.291 4.937 -0.646 1
1 1057 . 20 1 1 A 88 88 ASN C C 88 174.124 173.772 0.352 1
1 1058 . 20 1 1 A 88 88 ASN CA C 88 56.703 52.916 3.787 1
1 1059 . 20 1 1 A 88 88 ASN CB C 88 36.677 39.503 -2.826 1
1 1060 . 20 1 1 A 88 88 ASN N N 88 116.640 114.824 1.816 1
1 1062 . 20 1 1 A 89 89 GLU H H 89 8.677 7.325 1.352 1
1 1063 . 20 1 1 A 89 89 GLU HA H 89 4.358 5.139 -0.781 1
1 1068 . 20 1 1 A 89 89 GLU C C 89 174.903 174.262 0.641 1
1 1069 . 20 1 1 A 89 89 GLU CA C 89 56.190 54.803 1.387 1
1 1070 . 20 1 1 A 89 89 GLU CB C 89 33.096 33.427 -0.331 1
1 1072 . 20 1 1 A 89 89 GLU N N 89 122.876 120.878 1.998 1
1 1073 . 20 1 1 A 90 90 LYS H H 90 8.580 8.723 -0.143 1
1 1074 . 20 1 1 A 90 90 LYS HA H 90 5.542 5.037 0.505 1
1 1083 . 20 1 1 A 90 90 LYS C C 90 175.593 174.977 0.616 1
1 1084 . 20 1 1 A 90 90 LYS CA C 90 54.210 55.621 -1.411 1
1 1085 . 20 1 1 A 90 90 LYS CB C 90 36.189 35.718 0.471 1
1 1089 . 20 1 1 A 90 90 LYS N N 90 123.469 125.476 -2.007 1
1 1090 . 20 1 1 A 91 91 CYS H H 91 9.673 8.215 1.458 1
1 1091 . 20 1 1 A 91 91 CYS HA H 91 5.524 5.098 0.426 1
1 1094 . 20 1 1 A 91 91 CYS C C 91 170.527 173.118 -2.591 1
1 1095 . 20 1 1 A 91 91 CYS CA C 91 54.690 57.617 -2.927 1
1 1096 . 20 1 1 A 91 91 CYS CB C 91 32.542 32.911 -0.369 1
1 1097 . 20 1 1 A 91 91 CYS N N 91 122.579 123.113 -0.534 1
1 1098 . 20 1 1 A 92 92 LEU H H 92 8.984 8.681 0.303 1
1 1099 . 20 1 1 A 92 92 LEU HA H 92 5.458 5.195 0.263 1
1 1109 . 20 1 1 A 92 92 LEU C C 92 175.596 175.266 0.330 1
1 1110 . 20 1 1 A 92 92 LEU CA C 92 53.413 53.668 -0.255 1
1 1111 . 20 1 1 A 92 92 LEU CB C 92 44.972 43.271 1.701 1
1 1115 . 20 1 1 A 92 92 LEU N N 92 122.282 122.680 -0.398 1
1 1116 . 20 1 1 A 93 93 VAL H H 93 10.107 9.202 0.905 1
1 1117 . 20 1 1 A 93 93 VAL HA H 93 5.506 4.910 0.596 1
1 1125 . 20 1 1 A 93 93 VAL C C 93 171.051 173.616 -2.565 1
1 1126 . 20 1 1 A 93 93 VAL CA C 93 58.200 59.681 -1.481 1
1 1127 . 20 1 1 A 93 93 VAL CB C 93 35.276 34.338 0.938 1
1 1130 . 20 1 1 A 93 93 VAL N N 93 126.224 124.900 1.324 1
1 1131 . 20 1 1 A 94 94 ARG H H 94 8.949 8.918 0.031 1
1 1132 . 20 1 1 A 94 94 ARG HA H 94 5.133 4.713 0.420 1
1 1139 . 20 1 1 A 94 94 ARG C C 94 175.823 175.010 0.813 1
1 1140 . 20 1 1 A 94 94 ARG CA C 94 56.219 55.282 0.937 1
1 1141 . 20 1 1 A 94 94 ARG CB C 94 32.039 30.962 1.077 1
1 1144 . 20 1 1 A 94 94 ARG N N 94 130.596 127.189 3.407 1
1 1145 . 20 1 1 A 95 95 ILE H H 95 9.655 9.150 0.505 1
1 1146 . 20 1 1 A 95 95 ILE HA H 95 4.899 4.630 0.269 1
1 1156 . 20 1 1 A 95 95 ILE C C 95 175.215 175.145 0.070 1
1 1157 . 20 1 1 A 95 95 ILE CA C 95 60.582 60.498 0.084 1
1 1158 . 20 1 1 A 95 95 ILE CB C 95 37.359 37.616 -0.257 1
1 1162 . 20 1 1 A 95 95 ILE N N 95 129.905 126.266 3.639 1
1 1163 . 20 1 1 A 96 96 GLU H H 96 9.213 8.704 0.509 1
1 1164 . 20 1 1 A 96 96 GLU HA H 96 4.320 4.323 -0.003 1
1 1169 . 20 1 1 A 96 96 GLU C C 96 177.897 177.482 0.415 1
1 1170 . 20 1 1 A 96 96 GLU CA C 96 57.568 55.529 2.039 1
1 1171 . 20 1 1 A 96 96 GLU CB C 96 29.676 30.808 -1.132 1
1 1173 . 20 1 1 A 96 96 GLU N N 96 126.439 128.645 -2.206 1
1 1174 . 20 1 1 A 97 97 SER H H 97 8.693 8.773 -0.080 1
1 1175 . 20 1 1 A 97 97 SER HA H 97 4.370 4.034 0.336 1
1 1178 . 20 1 1 A 97 97 SER C C 97 178.668 175.455 3.213 1
1 1179 . 20 1 1 A 97 97 SER CA C 97 62.800 61.993 0.807 1
1 1180 . 20 1 1 A 97 97 SER CB C 97 64.591 62.447 2.144 1
1 1181 . 20 1 1 A 97 97 SER N N 97 115.749 119.285 -3.536 1
1 1182 . 20 1 1 A 98 98 MET H H 98 8.937 8.119 0.818 1
1 1183 . 20 1 1 A 98 98 MET HA H 98 4.170 4.224 -0.054 1
1 1188 . 20 1 1 A 98 98 MET C C 98 179.250 176.238 3.012 1
1 1189 . 20 1 1 A 98 98 MET CA C 98 58.702 56.957 1.745 1
1 1190 . 20 1 1 A 98 98 MET CB C 98 31.047 31.756 -0.709 1
1 1192 . 20 1 1 A 98 98 MET N N 98 121.985 118.308 3.677 1
1 1193 . 20 1 1 A 99 99 TYR H H 99 7.927 7.929 -0.002 1
1 1194 . 20 1 1 A 99 99 TYR HA H 99 4.435 4.593 -0.158 1
1 1201 . 20 1 1 A 99 99 TYR C C 99 173.125 175.678 -2.553 1
1 1202 . 20 1 1 A 99 99 TYR CA C 99 58.064 58.323 -0.259 1
1 1203 . 20 1 1 A 99 99 TYR CB C 99 39.570 38.876 0.694 1
1 1204 . 20 1 1 A 99 99 TYR N N 99 116.640 118.073 -1.433 1
1 1205 . 20 1 1 A 100 100 GLY H H 100 7.802 7.791 0.011 1
1 1206 . 20 1 1 A 100 100 GLY HA2 H 100 3.223 4.193 -0.970 1
1 1207 . 20 1 1 A 100 100 GLY HA3 H 100 4.309 4.194 0.115 1
1 1208 . 20 1 1 A 100 100 GLY C C 100 173.213 174.515 -1.302 1
1 1209 . 20 1 1 A 100 100 GLY CA C 100 45.062 44.297 0.765 1
1 1210 . 20 1 1 A 100 100 GLY N N 100 110.998 108.117 2.881 1
1 1211 . 20 1 1 A 101 101 TYR H H 101 9.407 8.894 0.513 1
1 1212 . 20 1 1 A 101 101 TYR HA H 101 4.443 4.508 -0.065 1
1 1219 . 20 1 1 A 101 101 TYR C C 101 176.014 175.926 0.088 1
1 1220 . 20 1 1 A 101 101 TYR CA C 101 58.944 61.035 -2.091 1
1 1221 . 20 1 1 A 101 101 TYR CB C 101 37.732 39.244 -1.512 1
1 1222 . 20 1 1 A 101 101 TYR N N 101 126.439 118.205 8.234 1
1 1223 . 20 1 1 A 102 102 GLY H H 102 8.231 7.704 0.527 1
1 1224 . 20 1 1 A 102 102 GLY HA2 H 102 4.001 4.143 -0.142 1
1 1225 . 20 1 1 A 102 102 GLY HA3 H 102 3.715 4.155 -0.440 1
1 1226 . 20 1 1 A 102 102 GLY C C 102 175.685 174.437 1.248 1
1 1227 . 20 1 1 A 102 102 GLY CA C 102 46.447 43.957 2.490 1
1 1228 . 20 1 1 A 102 102 GLY N N 102 107.138 105.614 1.524 1
1 1229 . 20 1 1 A 103 103 ASP H H 103 8.983 9.066 -0.083 1
1 1230 . 20 1 1 A 103 103 ASP HA H 103 4.277 4.381 -0.104 1
1 1233 . 20 1 1 A 103 103 ASP C C 103 176.677 177.745 -1.068 1
1 1234 . 20 1 1 A 103 103 ASP CA C 103 56.352 56.820 -0.468 1
1 1235 . 20 1 1 A 103 103 ASP CB C 103 40.640 40.713 -0.073 1
1 1236 . 20 1 1 A 103 103 ASP N N 103 124.954 122.355 2.599 1
1 1237 . 20 1 1 A 104 104 GLU H H 104 8.552 7.717 0.835 1
1 1238 . 20 1 1 A 104 104 GLU HA H 104 4.139 4.333 -0.194 1
1 1243 . 20 1 1 A 104 104 GLU C C 104 179.142 176.837 2.305 1
1 1244 . 20 1 1 A 104 104 GLU CA C 104 58.100 56.202 1.898 1
1 1245 . 20 1 1 A 104 104 GLU CB C 104 30.076 29.939 0.137 1
1 1247 . 20 1 1 A 104 104 GLU N N 104 117.531 118.088 -0.557 1
1 1248 . 20 1 1 A 105 105 GLY H H 105 7.188 7.504 -0.316 1
1 1249 . 20 1 1 A 105 105 GLY HA2 H 105 3.137 4.071 -0.934 1
1 1250 . 20 1 1 A 105 105 GLY HA3 H 105 4.012 4.103 -0.091 1
1 1251 . 20 1 1 A 105 105 GLY C C 105 171.730 172.026 -0.296 1
1 1252 . 20 1 1 A 105 105 GLY CA C 105 44.214 44.026 0.188 1
1 1253 . 20 1 1 A 105 105 GLY N N 105 104.168 108.664 -4.496 1
1 1254 . 20 1 1 A 106 106 CYS H H 106 9.026 8.189 0.837 1
1 1255 . 20 1 1 A 106 106 CYS HA H 106 4.253 4.964 -0.711 1
1 1258 . 20 1 1 A 106 106 CYS C C 106 173.438 174.978 -1.540 1
1 1259 . 20 1 1 A 106 106 CYS CA C 106 57.814 58.151 -0.337 1
1 1260 . 20 1 1 A 106 106 CYS CB C 106 26.162 28.708 -2.546 1
1 1261 . 20 1 1 A 106 106 CYS N N 106 121.949 118.437 3.512 1
1 1262 . 20 1 1 A 107 107 GLY H H 107 8.584 8.468 0.116 1
1 1263 . 20 1 1 A 107 107 GLY HA2 H 107 3.706 4.170 -0.464 1
1 1264 . 20 1 1 A 107 107 GLY HA3 H 107 3.954 4.207 -0.253 1
1 1265 . 20 1 1 A 107 107 GLY C C 107 173.461 174.438 -0.977 1
1 1266 . 20 1 1 A 107 107 GLY CA C 107 45.258 44.322 0.936 1
1 1267 . 20 1 1 A 107 107 GLY N N 107 114.561 112.982 1.579 1
1 1268 . 20 1 1 A 108 108 GLU H H 108 8.503 8.499 0.004 1
1 1269 . 20 1 1 A 108 108 GLU HA H 108 4.051 4.480 -0.429 1
1 1274 . 20 1 1 A 108 108 GLU C C 108 178.118 178.275 -0.157 1
1 1275 . 20 1 1 A 108 108 GLU CA C 108 57.478 57.400 0.078 1
1 1276 . 20 1 1 A 108 108 GLU CB C 108 29.835 31.073 -1.238 1
1 1278 . 20 1 1 A 108 108 GLU N N 108 119.609 119.218 0.391 1
1 1279 . 20 1 1 A 109 109 SER H H 109 8.082 8.059 0.023 1
1 1280 . 20 1 1 A 109 109 SER HA H 109 4.127 4.260 -0.133 1
1 1283 . 20 1 1 A 109 109 SER C C 109 173.569 174.698 -1.129 1
1 1284 . 20 1 1 A 109 109 SER CA C 109 60.141 60.213 -0.072 1
1 1285 . 20 1 1 A 109 109 SER CB C 109 63.935 62.867 1.068 1
1 1286 . 20 1 1 A 109 109 SER N N 109 112.186 113.976 -1.790 1
1 1287 . 20 1 1 A 110 110 ILE H H 110 6.570 7.745 -1.175 1
1 1288 . 20 1 1 A 110 110 ILE HA H 110 4.235 4.551 -0.316 1
1 1298 . 20 1 1 A 110 110 ILE CA C 110 58.031 58.042 -0.011 1
1 1299 . 20 1 1 A 110 110 ILE CB C 110 39.086 38.036 1.050 1
1 1303 . 20 1 1 A 110 110 ILE N N 110 116.937 117.917 -0.980 1
1 1304 . 20 1 1 A 111 111 PRO HA H 111 4.510 4.827 -0.317 1
1 1311 . 20 1 1 A 111 111 PRO C C 111 179.076 176.079 2.997 1
1 1312 . 20 1 1 A 111 111 PRO CA C 111 61.703 62.698 -0.995 1
1 1313 . 20 1 1 A 111 111 PRO CB C 111 32.729 33.158 -0.429 1
1 1316 . 20 1 1 A 112 112 GLY H H 112 9.018 8.349 0.669 1
1 1317 . 20 1 1 A 112 112 GLY HA2 H 112 3.461 4.233 -0.772 1
1 1318 . 20 1 1 A 112 112 GLY HA3 H 112 3.714 4.239 -0.525 1
1 1319 . 20 1 1 A 112 112 GLY C C 112 172.723 174.271 -1.548 1
1 1320 . 20 1 1 A 112 112 GLY CA C 112 46.262 44.605 1.657 1
1 1321 . 20 1 1 A 112 112 GLY N N 112 111.592 106.513 5.079 1
1 1322 . 20 1 1 A 113 113 ASN H H 113 8.381 8.631 -0.250 1
1 1323 . 20 1 1 A 113 113 ASN HA H 113 4.278 4.817 -0.539 1
1 1328 . 20 1 1 A 113 113 ASN C C 113 174.643 175.115 -0.472 1
1 1329 . 20 1 1 A 113 113 ASN CA C 113 54.388 53.122 1.266 1
1 1330 . 20 1 1 A 113 113 ASN CB C 113 37.204 39.166 -1.962 1
1 1331 . 20 1 1 A 113 113 ASN N N 113 116.937 124.006 -7.069 1
1 1333 . 20 1 1 A 114 114 SER H H 114 7.617 7.537 0.080 1
1 1334 . 20 1 1 A 114 114 SER HA H 114 4.517 4.426 0.091 1
1 1337 . 20 1 1 A 114 114 SER C C 114 172.904 173.985 -1.081 1
1 1338 . 20 1 1 A 114 114 SER CA C 114 59.864 57.587 2.277 1
1 1339 . 20 1 1 A 114 114 SER CB C 114 64.678 64.840 -0.162 1
1 1340 . 20 1 1 A 114 114 SER N N 114 113.077 114.046 -0.969 1
1 1341 . 20 1 1 A 115 115 VAL H H 115 8.500 8.315 0.185 1
1 1342 . 20 1 1 A 115 115 VAL HA H 115 4.341 4.699 -0.358 1
1 1350 . 20 1 1 A 115 115 VAL C C 115 176.075 174.264 1.811 1
1 1351 . 20 1 1 A 115 115 VAL CA C 115 62.705 61.406 1.299 1
1 1352 . 20 1 1 A 115 115 VAL CB C 115 31.546 33.400 -1.854 1
1 1355 . 20 1 1 A 115 115 VAL N N 115 124.360 123.253 1.107 1
1 1356 . 20 1 1 A 116 116 LEU H H 116 9.104 8.777 0.327 1
1 1357 . 20 1 1 A 116 116 LEU HA H 116 5.002 4.960 0.042 1
1 1367 . 20 1 1 A 116 116 LEU C C 116 174.923 175.946 -1.023 1
1 1368 . 20 1 1 A 116 116 LEU CA C 116 53.123 53.646 -0.523 1
1 1369 . 20 1 1 A 116 116 LEU CB C 116 45.379 45.205 0.174 1
1 1373 . 20 1 1 A 116 116 LEU N N 116 128.814 129.824 -1.010 1
1 1374 . 20 1 1 A 117 117 LEU H H 117 9.009 8.588 0.421 1
1 1375 . 20 1 1 A 117 117 LEU HA H 117 5.601 5.297 0.304 1
1 1385 . 20 1 1 A 117 117 LEU C C 117 176.574 175.382 1.192 1
1 1386 . 20 1 1 A 117 117 LEU CA C 117 52.750 52.913 -0.163 1
1 1387 . 20 1 1 A 117 117 LEU CB C 117 44.693 44.626 0.067 1
1 1391 . 20 1 1 A 117 117 LEU N N 117 121.391 119.463 1.928 1
1 1392 . 20 1 1 A 118 118 PHE H H 118 9.375 9.022 0.353 1
1 1393 . 20 1 1 A 118 118 PHE HA H 118 6.155 5.075 1.080 1
1 1401 . 20 1 1 A 118 118 PHE C C 118 176.518 175.785 0.733 1
1 1402 . 20 1 1 A 118 118 PHE CA C 118 55.411 56.107 -0.696 1
1 1403 . 20 1 1 A 118 118 PHE CB C 118 42.385 42.647 -0.262 1
1 1404 . 20 1 1 A 118 118 PHE N N 118 117.531 120.326 -2.795 1
1 1405 . 20 1 1 A 119 119 GLU H H 119 8.905 9.813 -0.908 1
1 1406 . 20 1 1 A 119 119 GLU HA H 119 5.604 4.676 0.928 1
1 1411 . 20 1 1 A 119 119 GLU C C 119 175.947 175.845 0.102 1
1 1412 . 20 1 1 A 119 119 GLU CA C 119 60.489 56.805 3.684 1
1 1413 . 20 1 1 A 119 119 GLU CB C 119 31.189 30.127 1.062 1
1 1415 . 20 1 1 A 119 119 GLU N N 119 122.876 122.441 0.435 1
1 1416 . 20 1 1 A 120 120 ILE H H 120 8.912 9.102 -0.190 1
1 1417 . 20 1 1 A 120 120 ILE HA H 120 4.965 4.796 0.169 1
1 1427 . 20 1 1 A 120 120 ILE C C 120 173.341 174.647 -1.306 1
1 1428 . 20 1 1 A 120 120 ILE CA C 120 60.568 60.111 0.457 1
1 1429 . 20 1 1 A 120 120 ILE CB C 120 41.927 39.191 2.736 1
1 1433 . 20 1 1 A 120 120 ILE N N 120 123.000 126.473 -3.473 1
1 1434 . 20 1 1 A 121 121 GLU H H 121 9.074 8.938 0.136 1
1 1435 . 20 1 1 A 121 121 GLU HA H 121 5.445 5.014 0.431 1
1 1440 . 20 1 1 A 121 121 GLU C C 121 175.254 174.773 0.481 1
1 1441 . 20 1 1 A 121 121 GLU CA C 121 53.941 54.873 -0.932 1
1 1442 . 20 1 1 A 121 121 GLU CB C 121 33.897 33.093 0.804 1
1 1444 . 20 1 1 A 121 121 GLU N N 121 128.221 128.834 -0.613 1
1 1445 . 20 1 1 A 122 122 LEU H H 122 8.112 8.801 -0.689 1
1 1446 . 20 1 1 A 122 122 LEU HA H 122 4.680 4.502 0.178 1
1 1456 . 20 1 1 A 122 122 LEU C C 122 174.472 176.931 -2.459 1
1 1457 . 20 1 1 A 122 122 LEU CA C 122 54.403 54.363 0.040 1
1 1458 . 20 1 1 A 122 122 LEU CB C 122 40.796 41.571 -0.775 1
1 1462 . 20 1 1 A 122 122 LEU N N 122 127.033 128.383 -1.350 1
1 1463 . 20 1 1 A 123 123 LEU H H 123 8.704 8.566 0.138 1
1 1464 . 20 1 1 A 123 123 LEU HA H 123 4.385 4.481 -0.096 1
1 1474 . 20 1 1 A 123 123 LEU C C 123 177.614 176.666 0.948 1
1 1475 . 20 1 1 A 123 123 LEU CA C 123 57.095 55.400 1.695 1
1 1476 . 20 1 1 A 123 123 LEU CB C 123 42.226 42.573 -0.347 1
1 1480 . 20 1 1 A 123 123 LEU N N 123 128.814 123.239 5.575 1
1 1481 . 20 1 1 A 124 124 SER H H 124 7.602 7.179 0.423 1
1 1482 . 20 1 1 A 124 124 SER HA H 124 4.161 4.880 -0.719 1
1 1485 . 20 1 1 A 124 124 SER C C 124 171.375 172.642 -1.267 1
1 1486 . 20 1 1 A 124 124 SER CA C 124 57.545 57.508 0.037 1
1 1487 . 20 1 1 A 124 124 SER CB C 124 63.359 65.811 -2.452 1
1 1488 . 20 1 1 A 124 124 SER N N 124 105.653 112.343 -6.690 1
1 1489 . 20 1 1 A 125 125 PHE H H 125 7.818 9.093 -1.275 1
1 1490 . 20 1 1 A 125 125 PHE HA H 125 5.451 5.195 0.256 1
1 1498 . 20 1 1 A 125 125 PHE C C 125 173.154 172.917 0.237 1
1 1499 . 20 1 1 A 125 125 PHE CA C 125 56.463 56.337 0.126 1
1 1500 . 20 1 1 A 125 125 PHE CB C 125 42.301 40.810 1.491 1
1 1501 . 20 1 1 A 125 125 PHE N N 125 113.373 118.849 -5.476 1
1 1502 . 20 1 1 A 126 126 ARG H H 126 8.934 8.619 0.315 1
1 1503 . 20 1 1 A 126 126 ARG HA H 126 4.693 4.798 -0.105 1
1 1510 . 20 1 1 A 126 126 ARG C C 126 174.013 174.051 -0.038 1
1 1511 . 20 1 1 A 126 126 ARG CA C 126 54.654 54.259 0.395 1
1 1512 . 20 1 1 A 126 126 ARG CB C 126 33.064 33.716 -0.652 1
1 1515 . 20 1 1 A 126 126 ARG N N 126 116.046 119.039 -2.993 1
1 1516 . 20 1 1 A 127 127 GLU H H 127 8.665 8.441 0.224 1
1 1517 . 20 1 1 A 127 127 GLU HA H 127 4.436 5.069 -0.633 1
1 1522 . 20 1 1 A 127 127 GLU C C 127 176.050 175.700 0.350 1
1 1523 . 20 1 1 A 127 127 GLU CA C 127 55.552 55.324 0.228 1
1 1524 . 20 1 1 A 127 127 GLU CB C 127 30.600 31.028 -0.428 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 121 1.241 1
2 1 1 1 "RMS(OBS, PRED)" CA 126 1.357 1
3 1 1 1 "RMS(OBS, PRED)" CB 112 1.522 1
4 1 1 1 "RMS(OBS, PRED)" H 122 0.732 1
5 1 1 1 "RMS(OBS, PRED)" HA 140 0.429 1
6 1 1 1 "RMS(OBS, PRED)" N 121 3.347 1
7 1 2 1 "RMS(OBS, PRED)" C 121 1.177 1
8 1 2 1 "RMS(OBS, PRED)" CA 126 1.397 1
9 1 2 1 "RMS(OBS, PRED)" CB 112 1.538 1
10 1 2 1 "RMS(OBS, PRED)" H 122 0.718 1
11 1 2 1 "RMS(OBS, PRED)" HA 140 0.435 1
12 1 2 1 "RMS(OBS, PRED)" N 121 3.513 1
13 1 3 1 "RMS(OBS, PRED)" C 121 1.209 1
14 1 3 1 "RMS(OBS, PRED)" CA 126 1.425 1
15 1 3 1 "RMS(OBS, PRED)" CB 112 1.559 1
16 1 3 1 "RMS(OBS, PRED)" H 122 0.740 1
17 1 3 1 "RMS(OBS, PRED)" HA 140 0.425 1
18 1 3 1 "RMS(OBS, PRED)" N 121 3.394 1
19 1 4 1 "RMS(OBS, PRED)" C 121 1.188 1
20 1 4 1 "RMS(OBS, PRED)" CA 126 1.357 1
21 1 4 1 "RMS(OBS, PRED)" CB 112 1.476 1
22 1 4 1 "RMS(OBS, PRED)" H 122 0.733 1
23 1 4 1 "RMS(OBS, PRED)" HA 140 0.435 1
24 1 4 1 "RMS(OBS, PRED)" N 121 3.625 1
25 1 5 1 "RMS(OBS, PRED)" C 121 1.225 1
26 1 5 1 "RMS(OBS, PRED)" CA 126 1.345 1
27 1 5 1 "RMS(OBS, PRED)" CB 112 1.555 1
28 1 5 1 "RMS(OBS, PRED)" H 122 0.722 1
29 1 5 1 "RMS(OBS, PRED)" HA 140 0.422 1
30 1 5 1 "RMS(OBS, PRED)" N 121 3.491 1
31 1 6 1 "RMS(OBS, PRED)" C 121 1.265 1
32 1 6 1 "RMS(OBS, PRED)" CA 126 1.429 1
33 1 6 1 "RMS(OBS, PRED)" CB 112 1.660 1
34 1 6 1 "RMS(OBS, PRED)" H 122 0.730 1
35 1 6 1 "RMS(OBS, PRED)" HA 140 0.427 1
36 1 6 1 "RMS(OBS, PRED)" N 121 3.579 1
37 1 7 1 "RMS(OBS, PRED)" C 121 1.202 1
38 1 7 1 "RMS(OBS, PRED)" CA 126 1.365 1
39 1 7 1 "RMS(OBS, PRED)" CB 112 1.439 1
40 1 7 1 "RMS(OBS, PRED)" H 122 0.734 1
41 1 7 1 "RMS(OBS, PRED)" HA 140 0.407 1
42 1 7 1 "RMS(OBS, PRED)" N 121 3.493 1
43 1 8 1 "RMS(OBS, PRED)" C 121 1.254 1
44 1 8 1 "RMS(OBS, PRED)" CA 126 1.310 1
45 1 8 1 "RMS(OBS, PRED)" CB 112 1.571 1
46 1 8 1 "RMS(OBS, PRED)" H 122 0.714 1
47 1 8 1 "RMS(OBS, PRED)" HA 140 0.421 1
48 1 8 1 "RMS(OBS, PRED)" N 121 3.553 1
49 1 9 1 "RMS(OBS, PRED)" C 121 1.283 1
50 1 9 1 "RMS(OBS, PRED)" CA 126 1.358 1
51 1 9 1 "RMS(OBS, PRED)" CB 112 1.517 1
52 1 9 1 "RMS(OBS, PRED)" H 122 0.712 1
53 1 9 1 "RMS(OBS, PRED)" HA 140 0.427 1
54 1 9 1 "RMS(OBS, PRED)" N 121 3.682 1
55 1 10 1 "RMS(OBS, PRED)" C 121 1.268 1
56 1 10 1 "RMS(OBS, PRED)" CA 126 1.367 1
57 1 10 1 "RMS(OBS, PRED)" CB 112 1.585 1
58 1 10 1 "RMS(OBS, PRED)" H 122 0.720 1
59 1 10 1 "RMS(OBS, PRED)" HA 140 0.418 1
60 1 10 1 "RMS(OBS, PRED)" N 121 3.592 1
61 1 11 1 "RMS(OBS, PRED)" C 121 1.247 1
62 1 11 1 "RMS(OBS, PRED)" CA 126 1.410 1
63 1 11 1 "RMS(OBS, PRED)" CB 112 1.539 1
64 1 11 1 "RMS(OBS, PRED)" H 122 0.720 1
65 1 11 1 "RMS(OBS, PRED)" HA 140 0.408 1
66 1 11 1 "RMS(OBS, PRED)" N 121 3.518 1
67 1 12 1 "RMS(OBS, PRED)" C 121 1.265 1
68 1 12 1 "RMS(OBS, PRED)" CA 126 1.323 1
69 1 12 1 "RMS(OBS, PRED)" CB 112 1.526 1
70 1 12 1 "RMS(OBS, PRED)" H 122 0.735 1
71 1 12 1 "RMS(OBS, PRED)" HA 140 0.409 1
72 1 12 1 "RMS(OBS, PRED)" N 121 3.512 1
73 1 13 1 "RMS(OBS, PRED)" C 121 1.238 1
74 1 13 1 "RMS(OBS, PRED)" CA 126 1.417 1
75 1 13 1 "RMS(OBS, PRED)" CB 112 1.515 1
76 1 13 1 "RMS(OBS, PRED)" H 122 0.700 1
77 1 13 1 "RMS(OBS, PRED)" HA 140 0.443 1
78 1 13 1 "RMS(OBS, PRED)" N 121 3.473 1
79 1 14 1 "RMS(OBS, PRED)" C 121 1.233 1
80 1 14 1 "RMS(OBS, PRED)" CA 126 1.349 1
81 1 14 1 "RMS(OBS, PRED)" CB 112 1.446 1
82 1 14 1 "RMS(OBS, PRED)" H 122 0.715 1
83 1 14 1 "RMS(OBS, PRED)" HA 140 0.406 1
84 1 14 1 "RMS(OBS, PRED)" N 121 3.395 1
85 1 15 1 "RMS(OBS, PRED)" C 121 1.203 1
86 1 15 1 "RMS(OBS, PRED)" CA 126 1.435 1
87 1 15 1 "RMS(OBS, PRED)" CB 112 1.520 1
88 1 15 1 "RMS(OBS, PRED)" H 122 0.724 1
89 1 15 1 "RMS(OBS, PRED)" HA 140 0.444 1
90 1 15 1 "RMS(OBS, PRED)" N 121 3.509 1
91 1 16 1 "RMS(OBS, PRED)" C 121 1.247 1
92 1 16 1 "RMS(OBS, PRED)" CA 126 1.353 1
93 1 16 1 "RMS(OBS, PRED)" CB 112 1.558 1
94 1 16 1 "RMS(OBS, PRED)" H 122 0.758 1
95 1 16 1 "RMS(OBS, PRED)" HA 140 0.435 1
96 1 16 1 "RMS(OBS, PRED)" N 121 3.530 1
97 1 17 1 "RMS(OBS, PRED)" C 121 1.234 1
98 1 17 1 "RMS(OBS, PRED)" CA 126 1.295 1
99 1 17 1 "RMS(OBS, PRED)" CB 112 1.447 1
100 1 17 1 "RMS(OBS, PRED)" H 122 0.729 1
101 1 17 1 "RMS(OBS, PRED)" HA 140 0.420 1
102 1 17 1 "RMS(OBS, PRED)" N 121 3.589 1
103 1 18 1 "RMS(OBS, PRED)" C 121 1.218 1
104 1 18 1 "RMS(OBS, PRED)" CA 126 1.419 1
105 1 18 1 "RMS(OBS, PRED)" CB 112 1.445 1
106 1 18 1 "RMS(OBS, PRED)" H 122 0.700 1
107 1 18 1 "RMS(OBS, PRED)" HA 140 0.436 1
108 1 18 1 "RMS(OBS, PRED)" N 121 3.566 1
109 1 19 1 "RMS(OBS, PRED)" C 121 1.247 1
110 1 19 1 "RMS(OBS, PRED)" CA 126 1.329 1
111 1 19 1 "RMS(OBS, PRED)" CB 112 1.651 1
112 1 19 1 "RMS(OBS, PRED)" H 122 0.758 1
113 1 19 1 "RMS(OBS, PRED)" HA 140 0.401 1
114 1 19 1 "RMS(OBS, PRED)" N 121 3.503 1
115 1 20 1 "RMS(OBS, PRED)" C 121 1.257 1
116 1 20 1 "RMS(OBS, PRED)" CA 126 1.336 1
117 1 20 1 "RMS(OBS, PRED)" CB 112 1.529 1
118 1 20 1 "RMS(OBS, PRED)" H 122 0.710 1
119 1 20 1 "RMS(OBS, PRED)" HA 140 0.425 1
120 1 20 1 "RMS(OBS, PRED)" N 121 3.466 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 THR HA H 2 4.479 4.453 0.026 2
1 6 . 1 1 A 2 2 THR C C 2 174.348 174.426 -0.078 2
1 7 . 1 1 A 2 2 THR CA C 2 61.838 62.351 -0.513 2
1 8 . 1 1 A 2 2 THR CB C 2 69.919 69.371 0.548 2
1 10 . 1 1 A 3 3 THR H H 3 8.289 8.539 -0.250 2
1 11 . 1 1 A 3 3 THR HA H 3 4.282 4.388 -0.106 2
1 16 . 1 1 A 3 3 THR C C 3 174.404 174.101 0.303 2
1 17 . 1 1 A 3 3 THR CA C 3 62.140 62.701 -0.561 2
1 18 . 1 1 A 3 3 THR CB C 3 69.658 69.125 0.533 2
1 20 . 1 1 A 3 3 THR N N 3 116.640 117.868 -1.228 2
1 21 . 1 1 A 4 4 GLU H H 4 8.567 8.202 0.365 2
1 22 . 1 1 A 4 4 GLU HA H 4 4.156 4.547 -0.391 2
1 27 . 1 1 A 4 4 GLU C C 4 176.216 175.343 0.873 2
1 28 . 1 1 A 4 4 GLU CA C 4 56.929 55.867 1.062 2
1 29 . 1 1 A 4 4 GLU CB C 4 29.821 30.849 -1.028 2
1 31 . 1 1 A 4 4 GLU N N 4 123.469 120.915 2.554 2
1 32 . 1 1 A 5 5 GLN H H 5 8.222 8.470 -0.248 2
1 33 . 1 1 A 5 5 GLN HA H 5 4.167 4.433 -0.266 2
1 40 . 1 1 A 5 5 GLN C C 5 175.216 175.089 0.127 2
1 41 . 1 1 A 5 5 GLN CA C 5 55.674 55.523 0.151 2
1 42 . 1 1 A 5 5 GLN CB C 5 29.553 29.922 -0.369 2
1 45 . 1 1 A 5 5 GLN N N 5 120.797 121.833 -1.036 2
1 47 . 1 1 A 6 6 GLU H H 6 8.171 8.522 -0.351 2
1 48 . 1 1 A 6 6 GLU HA H 6 4.080 4.362 -0.282 2
1 53 . 1 1 A 6 6 GLU C C 6 175.870 175.523 0.347 2
1 54 . 1 1 A 6 6 GLU CA C 6 56.400 55.455 0.945 2
1 55 . 1 1 A 6 6 GLU CB C 6 30.335 29.134 1.201 2
1 57 . 1 1 A 6 6 GLU N N 6 122.100 123.724 -1.624 2
1 58 . 1 1 A 7 7 PHE H H 7 8.051 7.818 0.233 2
1 59 . 1 1 A 7 7 PHE HA H 7 4.710 4.969 -0.259 2
1 67 . 1 1 A 7 7 PHE C C 7 175.461 174.615 0.846 2
1 68 . 1 1 A 7 7 PHE CA C 7 56.825 56.633 0.192 2
1 69 . 1 1 A 7 7 PHE CB C 7 39.812 41.308 -1.496 2
1 70 . 1 1 A 7 7 PHE N N 7 120.500 122.301 -1.801 2
1 71 . 1 1 A 8 8 GLU H H 8 8.626 8.901 -0.275 2
1 72 . 1 1 A 8 8 GLU HA H 8 4.193 4.810 -0.617 2
1 77 . 1 1 A 8 8 GLU C C 8 176.141 175.846 0.295 2
1 78 . 1 1 A 8 8 GLU CA C 8 56.932 55.497 1.435 2
1 79 . 1 1 A 8 8 GLU CB C 8 30.794 31.645 -0.851 2
1 81 . 1 1 A 8 8 GLU N N 8 123.469 122.557 0.912 2
1 82 . 1 1 A 9 9 LYS H H 9 8.396 8.630 -0.234 2
1 83 . 1 1 A 9 9 LYS HA H 9 5.100 4.852 0.248 2
1 92 . 1 1 A 9 9 LYS C C 9 176.168 175.655 0.513 2
1 93 . 1 1 A 9 9 LYS CA C 9 55.428 55.215 0.213 2
1 94 . 1 1 A 9 9 LYS CB C 9 34.214 34.549 -0.335 2
1 98 . 1 1 A 9 9 LYS N N 9 124.954 124.812 0.142 2
1 99 . 1 1 A 10 10 VAL H H 10 9.445 8.866 0.579 2
1 100 . 1 1 A 10 10 VAL HA H 10 4.278 4.520 -0.242 2
1 108 . 1 1 A 10 10 VAL C C 10 174.967 175.032 -0.065 2
1 109 . 1 1 A 10 10 VAL CA C 10 60.951 61.513 -0.562 2
1 110 . 1 1 A 10 10 VAL CB C 10 34.681 32.344 2.337 2
1 113 . 1 1 A 10 10 VAL N N 10 124.360 123.135 1.225 2
1 114 . 1 1 A 11 11 GLU H H 11 9.021 8.787 0.234 2
1 115 . 1 1 A 11 11 GLU HA H 11 4.369 4.651 -0.282 2
1 120 . 1 1 A 11 11 GLU C C 11 174.797 176.404 -1.607 2
1 121 . 1 1 A 11 11 GLU CA C 11 56.728 55.675 1.053 2
1 122 . 1 1 A 11 11 GLU CB C 11 28.655 30.079 -1.424 2
1 124 . 1 1 A 11 11 GLU N N 11 127.924 127.315 0.609 2
1 125 . 1 1 A 12 12 LEU H H 12 8.396 8.758 -0.362 2
1 126 . 1 1 A 12 12 LEU HA H 12 4.311 3.881 0.430 2
1 136 . 1 1 A 12 12 LEU C C 12 176.600 175.801 0.799 2
1 137 . 1 1 A 12 12 LEU CA C 12 55.292 55.767 -0.475 2
1 138 . 1 1 A 12 12 LEU CB C 12 42.624 40.666 1.958 2
1 142 . 1 1 A 12 12 LEU N N 12 124.954 121.639 3.315 2
1 143 . 1 1 A 13 13 THR H H 13 7.328 7.644 -0.316 2
1 144 . 1 1 A 13 13 THR HA H 13 4.530 4.365 0.165 2
1 149 . 1 1 A 13 13 THR C C 13 175.180 175.920 -0.740 2
1 150 . 1 1 A 13 13 THR CA C 13 59.603 62.058 -2.455 2
1 151 . 1 1 A 13 13 THR CB C 13 70.742 69.545 1.197 2
1 153 . 1 1 A 13 13 THR N N 13 106.841 113.341 -6.500 2
1 154 . 1 1 A 14 14 ALA H H 14 8.689 8.895 -0.206 2
1 155 . 1 1 A 14 14 ALA HA H 14 4.247 4.112 0.135 2
1 159 . 1 1 A 14 14 ALA C C 14 177.522 177.776 -0.254 2
1 160 . 1 1 A 14 14 ALA CA C 14 53.875 53.780 0.095 2
1 161 . 1 1 A 14 14 ALA CB C 14 17.920 18.654 -0.734 2
1 162 . 1 1 A 14 14 ALA N N 14 123.733 129.021 -5.288 2
1 163 . 1 1 A 15 15 ASP H H 15 7.516 7.769 -0.253 2
1 164 . 1 1 A 15 15 ASP HA H 15 4.518 4.726 -0.208 2
1 167 . 1 1 A 15 15 ASP C C 15 177.402 176.266 1.136 2
1 168 . 1 1 A 15 15 ASP CA C 15 52.635 53.892 -1.257 2
1 169 . 1 1 A 15 15 ASP CB C 15 40.912 41.140 -0.228 2
1 170 . 1 1 A 15 15 ASP N N 15 113.967 117.157 -3.190 2
1 171 . 1 1 A 16 16 GLY H H 16 7.986 7.681 0.305 2
1 172 . 1 1 A 16 16 GLY HA2 H 16 4.080 3.991 0.089 2
1 173 . 1 1 A 16 16 GLY HA3 H 16 3.529 4.004 -0.475 2
1 174 . 1 1 A 16 16 GLY C C 16 175.233 175.318 -0.085 2
1 175 . 1 1 A 16 16 GLY CA C 16 45.798 45.042 0.756 2
1 176 . 1 1 A 16 16 GLY N N 16 108.919 106.333 2.586 2
1 177 . 1 1 A 17 17 GLY H H 17 8.681 8.609 0.072 2
1 178 . 1 1 A 17 17 GLY HA2 H 17 4.513 3.916 0.597 2
1 179 . 1 1 A 17 17 GLY HA3 H 17 4.513 3.931 0.582 2
1 180 . 1 1 A 17 17 GLY C C 17 172.684 174.096 -1.412 2
1 181 . 1 1 A 17 17 GLY CA C 17 46.672 46.865 -0.193 2
1 182 . 1 1 A 17 17 GLY N N 17 108.663 107.744 0.919 2
1 183 . 1 1 A 18 18 VAL H H 18 6.903 7.496 -0.593 2
1 184 . 1 1 A 18 18 VAL HA H 18 4.855 4.208 0.647 2
1 192 . 1 1 A 18 18 VAL C C 18 174.737 174.543 0.194 2
1 193 . 1 1 A 18 18 VAL CA C 18 62.035 60.358 1.677 2
1 194 . 1 1 A 18 18 VAL CB C 18 33.315 35.156 -1.841 2
1 197 . 1 1 A 18 18 VAL N N 18 117.234 118.592 -1.358 2
1 198 . 1 1 A 19 19 ILE H H 19 8.243 8.369 -0.126 2
1 199 . 1 1 A 19 19 ILE HA H 19 4.665 4.660 0.005 2
1 209 . 1 1 A 19 19 ILE C C 19 174.360 175.396 -1.036 2
1 210 . 1 1 A 19 19 ILE CA C 19 60.736 60.609 0.127 2
1 211 . 1 1 A 19 19 ILE CB C 19 41.856 37.311 4.545 2
1 215 . 1 1 A 19 19 ILE N N 19 126.439 127.106 -0.667 2
1 216 . 1 1 A 20 20 LYS H H 20 9.345 8.736 0.609 2
1 217 . 1 1 A 20 20 LYS HA H 20 5.296 5.052 0.244 2
1 226 . 1 1 A 20 20 LYS C C 20 173.618 174.641 -1.023 2
1 227 . 1 1 A 20 20 LYS CA C 20 54.842 54.482 0.360 2
1 228 . 1 1 A 20 20 LYS CB C 20 36.261 35.993 0.268 2
1 232 . 1 1 A 20 20 LYS N N 20 129.408 124.957 4.451 2
1 233 . 1 1 A 21 21 THR H H 21 9.597 9.241 0.356 2
1 234 . 1 1 A 21 21 THR HA H 21 4.923 4.823 0.100 2
1 239 . 1 1 A 21 21 THR C C 21 174.648 173.646 1.002 2
1 240 . 1 1 A 21 21 THR CA C 21 61.703 61.945 -0.242 2
1 241 . 1 1 A 21 21 THR CB C 21 70.230 70.346 -0.116 2
1 243 . 1 1 A 21 21 THR N N 21 123.469 117.229 6.240 2
1 244 . 1 1 A 22 22 ILE H H 22 9.248 8.577 0.671 2
1 245 . 1 1 A 22 22 ILE HA H 22 3.637 4.250 -0.613 2
1 255 . 1 1 A 22 22 ILE C C 22 174.348 174.913 -0.565 2
1 256 . 1 1 A 22 22 ILE CA C 22 64.258 61.508 2.750 2
1 257 . 1 1 A 22 22 ILE CB C 22 37.551 38.604 -1.053 2
1 261 . 1 1 A 22 22 ILE N N 22 128.517 127.752 0.765 2
1 262 . 1 1 A 23 23 LEU H H 23 8.498 8.673 -0.175 2
1 263 . 1 1 A 23 23 LEU HA H 23 4.180 3.982 0.198 2
1 273 . 1 1 A 23 23 LEU C C 23 177.521 176.558 0.963 2
1 274 . 1 1 A 23 23 LEU CA C 23 55.460 55.854 -0.394 2
1 275 . 1 1 A 23 23 LEU CB C 23 42.239 42.776 -0.537 2
1 279 . 1 1 A 23 23 LEU N N 23 128.517 129.999 -1.482 2
1 280 . 1 1 A 24 24 LYS H H 24 8.020 7.769 0.251 2
1 281 . 1 1 A 24 24 LYS HA H 24 4.392 4.732 -0.340 2
1 290 . 1 1 A 24 24 LYS C C 24 174.465 175.009 -0.544 2
1 291 . 1 1 A 24 24 LYS CA C 24 55.848 54.960 0.888 2
1 292 . 1 1 A 24 24 LYS CB C 24 35.692 34.736 0.956 2
1 296 . 1 1 A 24 24 LYS N N 24 120.797 117.585 3.212 2
1 297 . 1 1 A 25 25 LYS H H 25 8.657 8.792 -0.135 2
1 298 . 1 1 A 25 25 LYS HA H 25 4.178 4.791 -0.613 2
1 307 . 1 1 A 25 25 LYS C C 25 177.616 176.566 1.050 2
1 308 . 1 1 A 25 25 LYS CA C 25 57.218 55.126 2.092 2
1 309 . 1 1 A 25 25 LYS CB C 25 32.846 34.302 -1.456 2
1 313 . 1 1 A 25 25 LYS N N 25 126.439 125.831 0.608 2
1 314 . 1 1 A 26 26 GLY H H 26 9.728 8.964 0.764 2
1 315 . 1 1 A 26 26 GLY HA2 H 26 3.408 4.082 -0.674 2
1 316 . 1 1 A 26 26 GLY HA3 H 26 4.120 4.087 0.033 2
1 317 . 1 1 A 26 26 GLY C C 26 173.278 174.074 -0.796 2
1 318 . 1 1 A 26 26 GLY CA C 26 43.709 44.892 -1.183 2
1 319 . 1 1 A 26 26 GLY N N 26 110.404 110.736 -0.332 2
1 320 . 1 1 A 27 27 ASP H H 27 8.550 8.661 -0.111 2
1 321 . 1 1 A 27 27 ASP HA H 27 4.401 4.697 -0.296 2
1 324 . 1 1 A 27 27 ASP C C 27 175.993 175.738 0.255 2
1 325 . 1 1 A 27 27 ASP CA C 27 55.105 55.426 -0.321 2
1 326 . 1 1 A 27 27 ASP CB C 27 41.688 41.797 -0.109 2
1 327 . 1 1 A 27 27 ASP N N 27 121.391 121.266 0.125 2
1 328 . 1 1 A 28 28 GLU H H 28 8.419 8.092 0.327 2
1 329 . 1 1 A 28 28 GLU HA H 28 4.063 4.711 -0.648 2
1 334 . 1 1 A 28 28 GLU C C 28 176.146 175.874 0.273 2
1 335 . 1 1 A 28 28 GLU CA C 28 57.076 55.537 1.539 2
1 336 . 1 1 A 28 28 GLU CB C 28 30.774 32.248 -1.474 2
1 338 . 1 1 A 28 28 GLU N N 28 120.203 116.195 4.008 2
1 339 . 1 1 A 29 29 GLY H H 29 8.364 8.512 -0.148 2
1 340 . 1 1 A 29 29 GLY HA2 H 29 4.758 4.225 0.533 2
1 341 . 1 1 A 29 29 GLY HA3 H 29 4.584 4.234 0.350 2
1 342 . 1 1 A 29 29 GLY C C 29 175.976 174.952 1.024 2
1 343 . 1 1 A 29 29 GLY CA C 29 44.686 45.649 -0.963 2
1 344 . 1 1 A 29 29 GLY N N 29 110.404 109.520 0.884 2
1 345 . 1 1 A 30 30 GLU H H 30 8.867 8.330 0.537 2
1 346 . 1 1 A 30 30 GLU HA H 30 3.749 3.989 -0.240 2
1 351 . 1 1 A 30 30 GLU C C 30 177.872 177.886 -0.014 2
1 352 . 1 1 A 30 30 GLU CA C 30 59.045 59.050 -0.005 2
1 353 . 1 1 A 30 30 GLU CB C 30 29.030 29.634 -0.604 2
1 355 . 1 1 A 30 30 GLU N N 30 125.251 121.673 3.578 2
1 356 . 1 1 A 31 31 GLU H H 31 9.842 7.939 1.903 2
1 357 . 1 1 A 31 31 GLU HA H 31 4.312 4.420 -0.108 2
1 362 . 1 1 A 31 31 GLU C C 31 176.330 176.318 0.012 2
1 363 . 1 1 A 31 31 GLU CA C 31 57.437 56.634 0.803 2
1 364 . 1 1 A 31 31 GLU CB C 31 28.040 30.060 -2.020 2
1 366 . 1 1 A 31 31 GLU N N 31 118.421 117.455 0.966 2
1 367 . 1 1 A 32 32 ASN H H 32 7.731 7.840 -0.109 2
1 368 . 1 1 A 32 32 ASN HA H 32 5.127 5.271 -0.144 2
1 373 . 1 1 A 32 32 ASN C C 32 172.750 173.924 -1.174 2
1 374 . 1 1 A 32 32 ASN CA C 32 54.111 52.503 1.608 2
1 375 . 1 1 A 32 32 ASN CB C 32 40.161 38.768 1.393 2
1 376 . 1 1 A 32 32 ASN N N 32 116.937 118.137 -1.200 2
1 378 . 1 1 A 33 33 ILE H H 33 7.105 8.405 -1.300 2
1 379 . 1 1 A 33 33 ILE HA H 33 4.793 4.630 0.163 2
1 389 . 1 1 A 33 33 ILE CA C 33 57.895 57.689 0.206 2
1 390 . 1 1 A 33 33 ILE CB C 33 40.609 41.327 -0.718 2
1 394 . 1 1 A 33 33 ILE N N 33 121.985 125.596 -3.611 2
1 395 . 1 1 A 34 34 PRO HA H 34 4.065 4.933 -0.868 2
1 402 . 1 1 A 34 34 PRO C C 34 173.754 176.065 -2.311 2
1 403 . 1 1 A 34 34 PRO CA C 34 61.962 62.542 -0.580 2
1 404 . 1 1 A 34 34 PRO CB C 34 31.877 31.506 0.371 2
1 407 . 1 1 A 35 35 LYS H H 35 7.101 8.661 -1.560 2
1 408 . 1 1 A 35 35 LYS HA H 35 4.377 4.825 -0.448 2
1 417 . 1 1 A 35 35 LYS C C 35 175.712 175.672 0.040 2
1 418 . 1 1 A 35 35 LYS CA C 35 53.404 54.681 -1.277 2
1 419 . 1 1 A 35 35 LYS CB C 35 35.229 35.953 -0.724 2
1 423 . 1 1 A 35 35 LYS N N 35 116.046 122.600 -6.554 2
1 424 . 1 1 A 36 36 LYS H H 36 8.144 8.513 -0.369 2
1 425 . 1 1 A 36 36 LYS HA H 36 3.515 4.087 -0.572 2
1 434 . 1 1 A 36 36 LYS C C 36 176.774 177.213 -0.439 2
1 435 . 1 1 A 36 36 LYS CA C 36 58.608 57.451 1.157 2
1 436 . 1 1 A 36 36 LYS CB C 36 32.089 32.518 -0.429 2
1 440 . 1 1 A 36 36 LYS N N 36 120.797 122.583 -1.786 2
1 441 . 1 1 A 37 37 GLY H H 37 9.113 8.868 0.245 2
1 442 . 1 1 A 37 37 GLY HA2 H 37 3.494 3.996 -0.502 2
1 443 . 1 1 A 37 37 GLY HA3 H 37 4.330 4.026 0.304 2
1 444 . 1 1 A 37 37 GLY C C 37 175.329 174.214 1.115 2
1 445 . 1 1 A 37 37 GLY CA C 37 44.853 45.034 -0.181 2
1 446 . 1 1 A 37 37 GLY N N 37 113.967 113.920 0.047 2
1 447 . 1 1 A 38 38 ASN H H 38 8.447 7.776 0.671 2
1 448 . 1 1 A 38 38 ASN HA H 38 4.663 5.037 -0.374 2
1 453 . 1 1 A 38 38 ASN C C 38 174.878 174.662 0.216 2
1 454 . 1 1 A 38 38 ASN CA C 38 53.557 52.554 1.003 2
1 455 . 1 1 A 38 38 ASN CB C 38 39.155 40.249 -1.095 2
1 457 . 1 1 A 38 38 ASN N N 38 117.828 118.889 -1.061 2
1 459 . 1 1 A 39 39 GLU H H 39 8.331 8.603 -0.272 2
1 460 . 1 1 A 39 39 GLU HA H 39 4.254 4.627 -0.373 2
1 465 . 1 1 A 39 39 GLU C C 39 175.656 176.278 -0.622 2
1 466 . 1 1 A 39 39 GLU CA C 39 55.804 56.049 -0.245 2
1 467 . 1 1 A 39 39 GLU CB C 39 31.464 30.103 1.361 2
1 469 . 1 1 A 39 39 GLU N N 39 121.094 121.617 -0.523 2
1 470 . 1 1 A 40 40 VAL H H 40 9.138 8.734 0.404 2
1 471 . 1 1 A 40 40 VAL HA H 40 4.699 5.016 -0.317 2
1 479 . 1 1 A 40 40 VAL C C 40 173.240 174.529 -1.289 2
1 480 . 1 1 A 40 40 VAL CA C 40 59.559 60.130 -0.571 2
1 481 . 1 1 A 40 40 VAL CB C 40 32.896 34.657 -1.761 2
1 484 . 1 1 A 40 40 VAL N N 40 125.845 120.144 5.701 2
1 485 . 1 1 A 41 41 THR H H 41 8.328 9.051 -0.723 2
1 486 . 1 1 A 41 41 THR HA H 41 4.982 4.894 0.088 2
1 491 . 1 1 A 41 41 THR C C 41 174.455 173.802 0.653 2
1 492 . 1 1 A 41 41 THR CA C 41 61.964 61.730 0.234 2
1 493 . 1 1 A 41 41 THR CB C 41 69.623 70.179 -0.556 2
1 495 . 1 1 A 41 41 THR N N 41 117.531 118.359 -0.828 2
1 496 . 1 1 A 42 42 VAL H H 42 9.581 8.556 1.025 2
1 497 . 1 1 A 42 42 VAL HA H 42 5.669 5.101 0.568 2
1 505 . 1 1 A 42 42 VAL C C 42 174.919 173.837 1.082 2
1 506 . 1 1 A 42 42 VAL CA C 42 57.930 58.869 -0.939 2
1 507 . 1 1 A 42 42 VAL CB C 42 35.321 35.023 0.297 2
1 510 . 1 1 A 42 42 VAL N N 42 117.828 120.447 -2.619 2
1 511 . 1 1 A 43 43 HIS H H 43 8.333 8.747 -0.414 2
1 512 . 1 1 A 43 43 HIS HA H 43 5.407 5.351 0.056 2
1 515 . 1 1 A 43 43 HIS C C 43 176.136 173.885 2.251 2
1 516 . 1 1 A 43 43 HIS CA C 43 54.147 54.546 -0.399 2
1 517 . 1 1 A 43 43 HIS CB C 43 35.339 32.793 2.546 2
1 518 . 1 1 A 43 43 HIS N N 43 119.906 123.129 -3.223 2
1 519 . 1 1 A 44 44 TYR H H 44 9.622 8.725 0.897 2
1 520 . 1 1 A 44 44 TYR HA H 44 6.247 6.336 -0.089 2
1 527 . 1 1 A 44 44 TYR C C 44 172.857 173.726 -0.869 2
1 528 . 1 1 A 44 44 TYR CA C 44 56.304 55.515 0.789 2
1 529 . 1 1 A 44 44 TYR CB C 44 43.537 42.508 1.029 2
1 530 . 1 1 A 44 44 TYR N N 44 117.234 120.187 -2.953 2
1 531 . 1 1 A 45 45 VAL H H 45 8.735 8.611 0.124 2
1 532 . 1 1 A 45 45 VAL HA H 45 4.520 4.732 -0.212 2
1 540 . 1 1 A 45 45 VAL C C 45 175.200 174.726 0.474 2
1 541 . 1 1 A 45 45 VAL CA C 45 62.212 60.329 1.883 2
1 542 . 1 1 A 45 45 VAL CB C 45 35.550 34.931 0.619 2
1 545 . 1 1 A 45 45 VAL N N 45 118.125 119.550 -1.425 2
1 546 . 1 1 A 46 46 GLY H H 46 9.126 8.232 0.894 2
1 547 . 1 1 A 46 46 GLY HA2 H 46 4.539 4.153 0.386 2
1 548 . 1 1 A 46 46 GLY HA3 H 46 4.506 4.201 0.305 2
1 549 . 1 1 A 46 46 GLY C C 46 170.771 171.650 -0.879 2
1 550 . 1 1 A 46 46 GLY CA C 46 45.601 46.019 -0.418 2
1 551 . 1 1 A 46 46 GLY N N 46 114.858 111.553 3.305 2
1 552 . 1 1 A 47 47 LYS H H 47 9.121 8.158 0.963 2
1 553 . 1 1 A 47 47 LYS HA H 47 5.176 4.585 0.591 2
1 562 . 1 1 A 47 47 LYS C C 47 175.830 174.034 1.796 2
1 563 . 1 1 A 47 47 LYS CA C 47 53.937 54.308 -0.371 2
1 564 . 1 1 A 47 47 LYS CB C 47 37.021 35.905 1.116 2
1 568 . 1 1 A 47 47 LYS N N 47 123.469 118.992 4.477 2
1 569 . 1 1 A 48 48 LEU H H 48 8.016 9.124 -1.108 2
1 570 . 1 1 A 48 48 LEU HA H 48 4.692 4.566 0.126 2
1 580 . 1 1 A 48 48 LEU C C 48 178.031 176.671 1.360 2
1 581 . 1 1 A 48 48 LEU CA C 48 54.231 54.269 -0.038 2
1 582 . 1 1 A 48 48 LEU CB C 48 41.678 42.087 -0.409 2
1 586 . 1 1 A 48 48 LEU N N 48 121.391 122.881 -1.490 2
1 587 . 1 1 A 49 49 GLU H H 49 8.085 8.585 -0.500 2
1 588 . 1 1 A 49 49 GLU HA H 49 3.835 3.888 -0.053 2
1 593 . 1 1 A 49 49 GLU C C 49 178.118 177.985 0.133 2
1 594 . 1 1 A 49 49 GLU CA C 49 59.974 59.414 0.560 2
1 595 . 1 1 A 49 49 GLU CB C 49 30.322 29.296 1.026 2
1 597 . 1 1 A 49 49 GLU N N 49 124.954 127.366 -2.412 2
1 598 . 1 1 A 50 50 SER H H 50 9.220 7.992 1.228 2
1 599 . 1 1 A 50 50 SER HA H 50 4.154 4.235 -0.081 2
1 602 . 1 1 A 50 50 SER C C 50 176.751 175.747 1.004 2
1 603 . 1 1 A 50 50 SER CA C 50 60.230 61.003 -0.773 2
1 604 . 1 1 A 50 50 SER CB C 50 62.229 63.180 -0.951 2
1 605 . 1 1 A 50 50 SER N N 50 112.186 114.971 -2.784 2
1 606 . 1 1 A 51 51 THR H H 51 6.784 7.735 -0.951 2
1 607 . 1 1 A 51 51 THR HA H 51 4.520 4.592 -0.072 2
1 612 . 1 1 A 51 51 THR C C 51 176.342 175.038 1.304 2
1 613 . 1 1 A 51 51 THR CA C 51 60.760 62.172 -1.412 2
1 614 . 1 1 A 51 51 THR CB C 51 71.046 70.769 0.277 2
1 616 . 1 1 A 51 51 THR N N 51 105.653 112.963 -7.310 2
1 617 . 1 1 A 52 52 GLY H H 52 8.296 8.356 -0.060 2
1 618 . 1 1 A 52 52 GLY HA2 H 52 3.680 3.938 -0.258 2
1 619 . 1 1 A 52 52 GLY HA3 H 52 4.096 3.945 0.151 2
1 620 . 1 1 A 52 52 GLY C C 52 173.336 174.401 -1.065 2
1 621 . 1 1 A 52 52 GLY CA C 52 45.711 45.986 -0.275 2
1 622 . 1 1 A 52 52 GLY N N 52 112.483 110.676 1.807 2
1 623 . 1 1 A 53 53 LYS H H 53 7.479 7.630 -0.151 2
1 624 . 1 1 A 53 53 LYS HA H 53 4.218 4.514 -0.296 2
1 633 . 1 1 A 53 53 LYS C C 53 176.513 175.591 0.922 2
1 634 . 1 1 A 53 53 LYS CA C 53 56.217 55.276 0.941 2
1 635 . 1 1 A 53 53 LYS CB C 53 33.430 33.701 -0.271 2
1 639 . 1 1 A 53 53 LYS N N 53 119.609 119.717 -0.108 2
1 640 . 1 1 A 54 54 VAL H H 54 8.511 8.427 0.084 2
1 641 . 1 1 A 54 54 VAL HA H 54 4.244 4.188 0.056 2
1 649 . 1 1 A 54 54 VAL C C 54 176.879 176.251 0.628 2
1 650 . 1 1 A 54 54 VAL CA C 54 62.409 62.402 0.007 2
1 651 . 1 1 A 54 54 VAL CB C 54 32.697 32.879 -0.182 2
1 654 . 1 1 A 54 54 VAL N N 54 126.109 125.736 0.373 2
1 655 . 1 1 A 55 55 PHE H H 55 8.325 8.552 -0.227 2
1 656 . 1 1 A 55 55 PHE HA H 55 5.036 4.800 0.236 2
1 664 . 1 1 A 55 55 PHE C C 55 174.856 174.730 0.126 2
1 665 . 1 1 A 55 55 PHE CA C 55 55.758 58.310 -2.552 2
1 666 . 1 1 A 55 55 PHE CB C 55 40.399 39.353 1.046 2
1 667 . 1 1 A 55 55 PHE N N 55 124.063 126.182 -2.119 2
1 668 . 1 1 A 56 56 ASP H H 56 6.884 8.874 -1.990 2
1 669 . 1 1 A 56 56 ASP HA H 56 4.801 5.247 -0.446 2
1 672 . 1 1 A 56 56 ASP C C 56 173.688 174.456 -0.768 2
1 673 . 1 1 A 56 56 ASP CA C 56 54.956 53.265 1.691 2
1 674 . 1 1 A 56 56 ASP CB C 56 43.616 41.640 1.976 2
1 675 . 1 1 A 56 56 ASP N N 56 120.500 125.003 -4.503 2
1 676 . 1 1 A 57 57 SER H H 57 8.038 9.028 -0.990 2
1 677 . 1 1 A 57 57 SER HA H 57 4.796 4.948 -0.152 2
1 680 . 1 1 A 57 57 SER C C 57 174.997 174.347 0.650 2
1 681 . 1 1 A 57 57 SER CA C 57 55.792 57.007 -1.215 2
1 682 . 1 1 A 57 57 SER CB C 57 64.961 66.443 -1.482 2
1 683 . 1 1 A 57 57 SER N N 57 118.421 120.950 -2.529 2
1 684 . 1 1 A 58 58 SER H H 58 8.429 8.908 -0.479 2
1 685 . 1 1 A 58 58 SER HA H 58 4.080 4.018 0.062 2
1 688 . 1 1 A 58 58 SER C C 58 177.399 175.791 1.608 2
1 689 . 1 1 A 58 58 SER CA C 58 61.499 61.874 -0.375 2
1 690 . 1 1 A 58 58 SER CB C 58 65.069 62.614 2.455 2
1 691 . 1 1 A 58 58 SER N N 58 123.766 118.611 5.155 2
1 692 . 1 1 A 59 59 PHE H H 59 7.276 7.505 -0.229 2
1 693 . 1 1 A 59 59 PHE HA H 59 3.851 4.419 -0.568 2
1 701 . 1 1 A 59 59 PHE C C 59 178.929 178.119 0.810 2
1 702 . 1 1 A 59 59 PHE CA C 59 61.010 60.160 0.850 2
1 703 . 1 1 A 59 59 PHE CB C 59 38.129 39.786 -1.657 2
1 704 . 1 1 A 59 59 PHE N N 59 121.845 119.118 2.728 2
1 705 . 1 1 A 60 60 ASP H H 60 7.534 8.703 -1.169 2
1 706 . 1 1 A 60 60 ASP HA H 60 4.343 4.361 -0.018 2
1 709 . 1 1 A 60 60 ASP C C 60 177.295 178.041 -0.746 2
1 710 . 1 1 A 60 60 ASP CA C 60 56.921 57.087 -0.166 2
1 711 . 1 1 A 60 60 ASP CB C 60 40.298 40.313 -0.015 2
1 712 . 1 1 A 60 60 ASP N N 60 119.015 119.495 -0.480 2
1 713 . 1 1 A 61 61 ARG H H 61 7.224 8.222 -0.998 2
1 714 . 1 1 A 61 61 ARG HA H 61 4.378 4.215 0.163 2
1 721 . 1 1 A 61 61 ARG C C 61 175.798 177.604 -1.806 2
1 722 . 1 1 A 61 61 ARG CA C 61 55.209 57.752 -2.543 2
1 723 . 1 1 A 61 61 ARG CB C 61 32.610 29.932 2.678 2
1 726 . 1 1 A 61 61 ARG N N 61 115.452 118.360 -2.908 2
1 727 . 1 1 A 62 62 ASN H H 62 7.946 8.344 -0.398 2
1 728 . 1 1 A 62 62 ASN HA H 62 4.392 4.903 -0.511 2
1 733 . 1 1 A 62 62 ASN C C 62 173.776 174.782 -1.006 2
1 734 . 1 1 A 62 62 ASN CA C 62 54.269 54.881 -0.612 2
1 735 . 1 1 A 62 62 ASN CB C 62 38.597 40.372 -1.775 2
1 737 . 1 1 A 62 62 ASN N N 62 115.196 117.962 -2.766 2
1 739 . 1 1 A 63 63 VAL H H 63 7.278 8.030 -0.752 2
1 740 . 1 1 A 63 63 VAL HA H 63 4.628 4.534 0.094 2
1 748 . 1 1 A 63 63 VAL CA C 63 62.601 58.940 3.661 2
1 749 . 1 1 A 63 63 VAL CB C 63 35.186 34.035 1.151 2
1 752 . 1 1 A 63 63 VAL N N 63 115.155 116.388 -1.233 2
1 753 . 1 1 A 64 64 PRO HA H 64 4.516 4.731 -0.215 2
1 760 . 1 1 A 64 64 PRO C C 64 174.254 176.028 -1.774 2
1 761 . 1 1 A 64 64 PRO CA C 64 62.601 62.449 0.152 2
1 762 . 1 1 A 64 64 PRO CB C 64 31.977 32.179 -0.202 2
1 765 . 1 1 A 65 65 PHE H H 65 9.109 8.559 0.550 2
1 766 . 1 1 A 65 65 PHE HA H 65 4.821 5.000 -0.179 2
1 774 . 1 1 A 65 65 PHE C C 65 173.320 174.664 -1.344 2
1 775 . 1 1 A 65 65 PHE CA C 65 57.292 57.581 -0.289 2
1 776 . 1 1 A 65 65 PHE CB C 65 42.894 41.523 1.371 2
1 777 . 1 1 A 65 65 PHE N N 65 123.469 123.088 0.381 2
1 778 . 1 1 A 66 66 LYS H H 66 7.474 8.428 -0.954 2
1 779 . 1 1 A 66 66 LYS HA H 66 5.378 5.342 0.036 2
1 788 . 1 1 A 66 66 LYS C C 66 175.026 174.753 0.273 2
1 789 . 1 1 A 66 66 LYS CA C 66 53.876 54.344 -0.468 2
1 790 . 1 1 A 66 66 LYS CB C 66 35.471 36.293 -0.822 2
1 794 . 1 1 A 66 66 LYS N N 66 125.548 122.291 3.257 2
1 795 . 1 1 A 67 67 PHE H H 67 8.114 8.267 -0.153 2
1 796 . 1 1 A 67 67 PHE HA H 67 4.469 5.259 -0.790 2
1 804 . 1 1 A 67 67 PHE C C 67 172.049 172.555 -0.506 2
1 805 . 1 1 A 67 67 PHE CA C 67 55.662 55.280 0.382 2
1 806 . 1 1 A 67 67 PHE CB C 67 40.087 41.779 -1.692 2
1 807 . 1 1 A 67 67 PHE N N 67 115.419 116.888 -1.470 2
1 808 . 1 1 A 68 68 HIS H H 68 8.983 8.934 0.050 2
1 809 . 1 1 A 68 68 HIS HA H 68 5.482 5.265 0.217 2
1 812 . 1 1 A 68 68 HIS C C 68 174.742 174.724 0.018 2
1 813 . 1 1 A 68 68 HIS CA C 68 55.348 54.299 1.049 2
1 814 . 1 1 A 68 68 HIS CB C 68 28.470 32.690 -4.220 2
1 815 . 1 1 A 68 68 HIS N N 68 118.421 116.956 1.465 2
1 816 . 1 1 A 69 69 LEU H H 69 8.317 8.664 -0.347 2
1 817 . 1 1 A 69 69 LEU HA H 69 4.016 4.357 -0.341 2
1 827 . 1 1 A 69 69 LEU CA C 69 56.060 55.943 0.117 2
1 828 . 1 1 A 69 69 LEU CB C 69 42.903 42.215 0.688 2
1 832 . 1 1 A 69 69 LEU N N 69 126.736 125.076 1.660 2
1 833 . 1 1 A 70 70 GLU H H 70 9.618 9.098 0.520 2
1 834 . 1 1 A 70 70 GLU HA H 70 3.847 4.005 -0.158 2
1 839 . 1 1 A 70 70 GLU C C 70 174.818 176.834 -2.016 2
1 840 . 1 1 A 70 70 GLU CA C 70 58.625 57.414 1.211 2
1 841 . 1 1 A 70 70 GLU CB C 70 27.456 28.040 -0.583 2
1 843 . 1 1 A 70 70 GLU N N 70 124.954 124.546 0.408 2
1 844 . 1 1 A 71 71 GLN H H 71 8.248 8.130 0.118 2
1 845 . 1 1 A 71 71 GLN HA H 71 4.678 4.471 0.207 2
1 852 . 1 1 A 71 71 GLN CA C 71 54.218 55.122 -0.904 2
1 853 . 1 1 A 71 71 GLN CB C 71 30.422 28.859 1.563 2
1 856 . 1 1 A 71 71 GLN N N 71 114.858 119.819 -4.961 2
1 858 . 1 1 A 72 72 GLY H H 72 8.362 7.966 0.396 2
1 859 . 1 1 A 72 72 GLY HA2 H 72 4.145 4.023 0.122 2
1 860 . 1 1 A 72 72 GLY HA3 H 72 4.059 4.038 0.021 2
1 861 . 1 1 A 72 72 GLY C C 72 175.783 175.546 0.237 2
1 862 . 1 1 A 72 72 GLY CA C 72 46.838 45.531 1.307 2
1 863 . 1 1 A 72 72 GLY N N 72 110.404 109.051 1.353 2
1 864 . 1 1 A 73 73 GLU H H 73 9.085 8.256 0.829 2
1 865 . 1 1 A 73 73 GLU HA H 73 4.187 4.335 -0.148 2
1 870 . 1 1 A 73 73 GLU C C 73 175.522 176.308 -0.786 2
1 871 . 1 1 A 73 73 GLU CA C 73 57.443 57.161 0.282 2
1 872 . 1 1 A 73 73 GLU CB C 73 31.378 30.361 1.017 2
1 874 . 1 1 A 73 73 GLU N N 73 118.421 117.913 0.508 2
1 875 . 1 1 A 74 74 VAL H H 74 6.862 7.386 -0.524 2
1 876 . 1 1 A 74 74 VAL HA H 74 4.281 4.303 -0.022 2
1 884 . 1 1 A 74 74 VAL C C 74 175.773 175.440 0.333 2
1 885 . 1 1 A 74 74 VAL CA C 74 57.468 60.578 -3.110 2
1 886 . 1 1 A 74 74 VAL CB C 74 36.344 33.714 2.630 2
1 889 . 1 1 A 74 74 VAL N N 74 108.919 114.976 -6.057 2
1 890 . 1 1 A 75 75 ILE H H 75 7.462 9.063 -1.601 2
1 891 . 1 1 A 75 75 ILE HA H 75 3.844 4.238 -0.394 2
1 901 . 1 1 A 75 75 ILE C C 75 177.618 177.183 0.435 2
1 902 . 1 1 A 75 75 ILE CA C 75 62.213 62.342 -0.129 2
1 903 . 1 1 A 75 75 ILE CB C 75 37.337 38.198 -0.861 2
1 907 . 1 1 A 75 75 ILE N N 75 113.373 123.613 -10.240 2
1 908 . 1 1 A 76 76 LYS H H 76 9.047 8.083 0.964 2
1 909 . 1 1 A 76 76 LYS HA H 76 4.282 4.491 -0.209 2
1 918 . 1 1 A 76 76 LYS C C 76 180.009 178.327 1.682 2
1 919 . 1 1 A 76 76 LYS CA C 76 59.482 57.093 2.389 2
1 920 . 1 1 A 76 76 LYS CB C 76 32.740 34.727 -1.987 2
1 924 . 1 1 A 76 76 LYS N N 76 124.954 121.017 3.937 2
1 925 . 1 1 A 77 77 GLY H H 77 9.775 8.291 1.484 2
1 926 . 1 1 A 77 77 GLY HA2 H 77 3.786 3.301 0.485 2
1 927 . 1 1 A 77 77 GLY HA3 H 77 3.618 3.379 0.239 2
1 928 . 1 1 A 77 77 GLY C C 77 175.261 176.474 -1.213 2
1 929 . 1 1 A 77 77 GLY CA C 77 47.402 47.100 0.302 2
1 930 . 1 1 A 77 77 GLY N N 77 101.199 107.695 -6.496 2
1 931 . 1 1 A 78 78 TRP H H 78 7.817 7.918 -0.101 2
1 932 . 1 1 A 78 78 TRP HA H 78 4.017 4.811 -0.794 2
1 940 . 1 1 A 78 78 TRP C C 78 177.610 178.052 -0.442 2
1 941 . 1 1 A 78 78 TRP CA C 78 61.524 60.215 1.309 2
1 942 . 1 1 A 78 78 TRP CB C 78 28.655 29.480 -0.825 2
1 943 . 1 1 A 78 78 TRP N N 78 120.203 122.367 -2.164 2
1 944 . 1 1 A 79 79 ASP H H 79 6.967 8.327 -1.360 2
1 945 . 1 1 A 79 79 ASP HA H 79 4.738 4.443 0.295 2
1 948 . 1 1 A 79 79 ASP C C 79 179.125 179.006 0.119 2
1 949 . 1 1 A 79 79 ASP CA C 79 58.492 57.648 0.844 2
1 950 . 1 1 A 79 79 ASP CB C 79 41.181 41.679 -0.498 2
1 951 . 1 1 A 79 79 ASP N N 79 121.688 120.017 1.671 2
1 952 . 1 1 A 80 80 ILE H H 80 8.173 7.809 0.364 2
1 953 . 1 1 A 80 80 ILE HA H 80 3.617 3.783 -0.166 2
1 963 . 1 1 A 80 80 ILE C C 80 177.849 177.927 -0.078 2
1 964 . 1 1 A 80 80 ILE CA C 80 64.758 64.764 -0.007 2
1 965 . 1 1 A 80 80 ILE CB C 80 39.198 37.471 1.727 2
1 969 . 1 1 A 80 80 ILE N N 80 118.125 118.978 -0.853 2
1 970 . 1 1 A 81 81 CYS H H 81 7.961 8.108 -0.147 2
1 971 . 1 1 A 81 81 CYS HA H 81 4.456 4.126 0.330 2
1 974 . 1 1 A 81 81 CYS C C 81 178.812 176.890 1.922 2
1 975 . 1 1 A 81 81 CYS CA C 81 63.059 62.503 0.556 2
1 976 . 1 1 A 81 81 CYS CB C 81 27.732 26.914 0.818 2
1 977 . 1 1 A 81 81 CYS N N 81 116.937 121.121 -4.184 2
1 978 . 1 1 A 82 82 VAL H H 82 9.434 8.348 1.086 2
1 979 . 1 1 A 82 82 VAL HA H 82 3.476 3.816 -0.340 2
1 987 . 1 1 A 82 82 VAL C C 82 176.456 177.840 -1.384 2
1 988 . 1 1 A 82 82 VAL CA C 82 66.977 65.242 1.735 2
1 989 . 1 1 A 82 82 VAL CB C 82 30.171 31.708 -1.537 2
1 992 . 1 1 A 82 82 VAL N N 82 121.688 119.192 2.496 2
1 993 . 1 1 A 83 83 SER H H 83 7.541 7.967 -0.426 2
1 994 . 1 1 A 83 83 SER HA H 83 3.964 4.476 -0.512 2
1 997 . 1 1 A 83 83 SER C C 83 173.661 175.244 -1.583 2
1 998 . 1 1 A 83 83 SER CA C 83 61.551 60.377 1.174 2
1 999 . 1 1 A 83 83 SER CB C 83 63.239 63.134 0.105 2
1 1000 . 1 1 A 83 83 SER N N 83 111.889 116.827 -4.938 2
1 1001 . 1 1 A 84 84 SER H H 84 7.471 7.813 -0.342 2
1 1002 . 1 1 A 84 84 SER HA H 84 4.530 4.664 -0.134 2
1 1005 . 1 1 A 84 84 SER C C 84 174.314 173.684 0.630 2
1 1006 . 1 1 A 84 84 SER CA C 84 58.440 57.428 1.012 2
1 1007 . 1 1 A 84 84 SER CB C 84 65.929 63.606 2.323 2
1 1008 . 1 1 A 84 84 SER N N 84 114.264 114.985 -0.721 2
1 1009 . 1 1 A 85 85 MET H H 85 7.441 7.327 0.114 2
1 1010 . 1 1 A 85 85 MET HA H 85 4.262 5.057 -0.795 2
1 1015 . 1 1 A 85 85 MET C C 85 172.768 174.598 -1.830 2
1 1016 . 1 1 A 85 85 MET CA C 85 56.502 54.027 2.475 2
1 1017 . 1 1 A 85 85 MET CB C 85 36.378 35.792 0.586 2
1 1019 . 1 1 A 85 85 MET N N 85 124.657 120.593 4.064 2
1 1020 . 1 1 A 86 86 ARG H H 86 7.045 8.475 -1.430 2
1 1021 . 1 1 A 86 86 ARG HA H 86 4.879 4.651 0.228 2
1 1028 . 1 1 A 86 86 ARG C C 86 177.468 176.301 1.167 2
1 1029 . 1 1 A 86 86 ARG CA C 86 53.395 54.077 -0.682 2
1 1030 . 1 1 A 86 86 ARG CB C 86 33.244 33.438 -0.194 2
1 1033 . 1 1 A 86 86 ARG N N 86 114.264 119.823 -5.559 2
1 1034 . 1 1 A 87 87 LYS H H 87 8.818 8.633 0.185 2
1 1035 . 1 1 A 87 87 LYS HA H 87 3.554 3.857 -0.303 2
1 1044 . 1 1 A 87 87 LYS C C 87 175.382 177.172 -1.790 2
1 1045 . 1 1 A 87 87 LYS CA C 87 60.175 58.501 1.674 2
1 1046 . 1 1 A 87 87 LYS CB C 87 33.195 32.422 0.773 2
1 1050 . 1 1 A 87 87 LYS N N 87 121.391 123.906 -2.515 2
1 1051 . 1 1 A 88 88 ASN H H 88 8.943 7.809 1.134 2
1 1052 . 1 1 A 88 88 ASN HA H 88 4.291 4.923 -0.632 2
1 1057 . 1 1 A 88 88 ASN C C 88 174.124 173.938 0.186 2
1 1058 . 1 1 A 88 88 ASN CA C 88 56.703 52.905 3.798 2
1 1059 . 1 1 A 88 88 ASN CB C 88 36.677 39.635 -2.958 2
1 1060 . 1 1 A 88 88 ASN N N 88 116.640 114.850 1.790 2
1 1062 . 1 1 A 89 89 GLU H H 89 8.677 7.488 1.189 2
1 1063 . 1 1 A 89 89 GLU HA H 89 4.358 5.044 -0.686 2
1 1068 . 1 1 A 89 89 GLU C C 89 174.903 174.559 0.344 2
1 1069 . 1 1 A 89 89 GLU CA C 89 56.190 54.972 1.218 2
1 1070 . 1 1 A 89 89 GLU CB C 89 33.096 33.053 0.043 2
1 1072 . 1 1 A 89 89 GLU N N 89 122.876 120.881 1.995 2
1 1073 . 1 1 A 90 90 LYS H H 90 8.580 8.759 -0.179 2
1 1074 . 1 1 A 90 90 LYS HA H 90 5.542 5.049 0.493 2
1 1083 . 1 1 A 90 90 LYS C C 90 175.593 174.721 0.871 2
1 1084 . 1 1 A 90 90 LYS CA C 90 54.210 55.612 -1.402 2
1 1085 . 1 1 A 90 90 LYS CB C 90 36.189 35.934 0.255 2
1 1089 . 1 1 A 90 90 LYS N N 90 123.469 124.768 -1.299 2
1 1090 . 1 1 A 91 91 CYS H H 91 9.673 8.452 1.221 2
1 1091 . 1 1 A 91 91 CYS HA H 91 5.524 5.177 0.347 2
1 1094 . 1 1 A 91 91 CYS C C 91 170.527 172.845 -2.318 2
1 1095 . 1 1 A 91 91 CYS CA C 91 54.690 57.241 -2.551 2
1 1096 . 1 1 A 91 91 CYS CB C 91 32.542 32.386 0.156 2
1 1097 . 1 1 A 91 91 CYS N N 91 122.579 123.848 -1.269 2
1 1098 . 1 1 A 92 92 LEU H H 92 8.984 8.750 0.234 2
1 1099 . 1 1 A 92 92 LEU HA H 92 5.458 5.123 0.335 2
1 1109 . 1 1 A 92 92 LEU C C 92 175.596 175.108 0.488 2
1 1110 . 1 1 A 92 92 LEU CA C 92 53.413 53.553 -0.140 2
1 1111 . 1 1 A 92 92 LEU CB C 92 44.972 43.453 1.519 2
1 1115 . 1 1 A 92 92 LEU N N 92 122.282 122.700 -0.418 2
1 1116 . 1 1 A 93 93 VAL H H 93 10.107 8.986 1.121 2
1 1117 . 1 1 A 93 93 VAL HA H 93 5.506 4.837 0.669 2
1 1125 . 1 1 A 93 93 VAL C C 93 171.051 173.920 -2.869 2
1 1126 . 1 1 A 93 93 VAL CA C 93 58.200 59.839 -1.639 2
1 1127 . 1 1 A 93 93 VAL CB C 93 35.276 34.308 0.968 2
1 1130 . 1 1 A 93 93 VAL N N 93 126.224 125.514 0.710 2
1 1131 . 1 1 A 94 94 ARG H H 94 8.949 8.891 0.058 2
1 1132 . 1 1 A 94 94 ARG HA H 94 5.133 4.798 0.335 2
1 1139 . 1 1 A 94 94 ARG C C 94 175.823 175.065 0.758 2
1 1140 . 1 1 A 94 94 ARG CA C 94 56.219 55.284 0.935 2
1 1141 . 1 1 A 94 94 ARG CB C 94 32.039 31.118 0.921 2
1 1144 . 1 1 A 94 94 ARG N N 94 130.596 127.158 3.438 2
1 1145 . 1 1 A 95 95 ILE H H 95 9.655 8.882 0.773 2
1 1146 . 1 1 A 95 95 ILE HA H 95 4.899 4.573 0.326 2
1 1156 . 1 1 A 95 95 ILE C C 95 175.215 175.231 -0.016 2
1 1157 . 1 1 A 95 95 ILE CA C 95 60.582 60.494 0.088 2
1 1158 . 1 1 A 95 95 ILE CB C 95 37.359 37.698 -0.339 2
1 1162 . 1 1 A 95 95 ILE N N 95 129.905 126.573 3.332 2
1 1163 . 1 1 A 96 96 GLU H H 96 9.213 8.753 0.460 2
1 1164 . 1 1 A 96 96 GLU HA H 96 4.320 4.360 -0.040 2
1 1169 . 1 1 A 96 96 GLU C C 96 177.897 177.460 0.437 2
1 1170 . 1 1 A 96 96 GLU CA C 96 57.568 55.523 2.045 2
1 1171 . 1 1 A 96 96 GLU CB C 96 29.676 31.082 -1.406 2
1 1173 . 1 1 A 96 96 GLU N N 96 126.439 128.722 -2.283 2
1 1174 . 1 1 A 97 97 SER H H 97 8.693 8.774 -0.081 2
1 1175 . 1 1 A 97 97 SER HA H 97 4.370 4.090 0.280 2
1 1178 . 1 1 A 97 97 SER C C 97 178.668 175.623 3.045 2
1 1179 . 1 1 A 97 97 SER CA C 97 62.800 61.739 1.061 2
1 1180 . 1 1 A 97 97 SER CB C 97 64.591 62.613 1.978 2
1 1181 . 1 1 A 97 97 SER N N 97 115.749 119.505 -3.756 2
1 1182 . 1 1 A 98 98 MET H H 98 8.937 8.224 0.713 2
1 1183 . 1 1 A 98 98 MET HA H 98 4.170 4.256 -0.087 2
1 1188 . 1 1 A 98 98 MET C C 98 179.250 176.339 2.911 2
1 1189 . 1 1 A 98 98 MET CA C 98 58.702 57.033 1.669 2
1 1190 . 1 1 A 98 98 MET CB C 98 31.047 32.022 -0.975 2
1 1192 . 1 1 A 98 98 MET N N 98 121.985 118.690 3.295 2
1 1193 . 1 1 A 99 99 TYR H H 99 7.927 7.787 0.140 2
1 1194 . 1 1 A 99 99 TYR HA H 99 4.435 4.568 -0.133 2
1 1201 . 1 1 A 99 99 TYR C C 99 173.125 175.741 -2.616 2
1 1202 . 1 1 A 99 99 TYR CA C 99 58.064 58.567 -0.503 2
1 1203 . 1 1 A 99 99 TYR CB C 99 39.570 38.845 0.725 2
1 1204 . 1 1 A 99 99 TYR N N 99 116.640 118.056 -1.416 2
1 1205 . 1 1 A 100 100 GLY H H 100 7.802 7.638 0.164 2
1 1206 . 1 1 A 100 100 GLY HA2 H 100 3.223 4.158 -0.935 2
1 1207 . 1 1 A 100 100 GLY HA3 H 100 4.309 4.204 0.105 2
1 1208 . 1 1 A 100 100 GLY C C 100 173.213 173.975 -0.762 2
1 1209 . 1 1 A 100 100 GLY CA C 100 45.062 44.379 0.683 2
1 1210 . 1 1 A 100 100 GLY N N 100 110.998 107.535 3.463 2
1 1211 . 1 1 A 101 101 TYR H H 101 9.407 8.822 0.585 2
1 1212 . 1 1 A 101 101 TYR HA H 101 4.443 4.627 -0.184 2
1 1219 . 1 1 A 101 101 TYR C C 101 176.014 176.396 -0.382 2
1 1220 . 1 1 A 101 101 TYR CA C 101 58.944 58.859 0.084 2
1 1221 . 1 1 A 101 101 TYR CB C 101 37.732 38.372 -0.640 2
1 1222 . 1 1 A 101 101 TYR N N 101 126.439 118.812 7.627 2
1 1223 . 1 1 A 102 102 GLY H H 102 8.231 8.146 0.085 2
1 1224 . 1 1 A 102 102 GLY HA2 H 102 4.001 4.005 -0.004 2
1 1225 . 1 1 A 102 102 GLY HA3 H 102 3.715 4.026 -0.311 2
1 1226 . 1 1 A 102 102 GLY C C 102 175.685 174.814 0.871 2
1 1227 . 1 1 A 102 102 GLY CA C 102 46.447 45.741 0.706 2
1 1228 . 1 1 A 102 102 GLY N N 102 107.138 108.622 -1.484 2
1 1229 . 1 1 A 103 103 ASP H H 103 8.983 8.580 0.403 2
1 1230 . 1 1 A 103 103 ASP HA H 103 4.277 4.467 -0.190 2
1 1233 . 1 1 A 103 103 ASP C C 103 176.677 178.102 -1.425 2
1 1234 . 1 1 A 103 103 ASP CA C 103 56.352 56.387 -0.035 2
1 1235 . 1 1 A 103 103 ASP CB C 103 40.640 40.933 -0.293 2
1 1236 . 1 1 A 103 103 ASP N N 103 124.954 122.331 2.623 2
1 1237 . 1 1 A 104 104 GLU H H 104 8.552 7.952 0.600 2
1 1238 . 1 1 A 104 104 GLU HA H 104 4.139 4.269 -0.130 2
1 1243 . 1 1 A 104 104 GLU C C 104 179.142 176.869 2.273 2
1 1244 . 1 1 A 104 104 GLU CA C 104 58.100 57.816 0.284 2
1 1245 . 1 1 A 104 104 GLU CB C 104 30.076 30.161 -0.085 2
1 1247 . 1 1 A 104 104 GLU N N 104 117.531 118.523 -0.992 2
1 1248 . 1 1 A 105 105 GLY H H 105 7.188 7.874 -0.686 2
1 1249 . 1 1 A 105 105 GLY HA2 H 105 3.137 4.033 -0.896 2
1 1250 . 1 1 A 105 105 GLY HA3 H 105 4.012 4.075 -0.063 2
1 1251 . 1 1 A 105 105 GLY C C 105 171.730 173.471 -1.741 2
1 1252 . 1 1 A 105 105 GLY CA C 105 44.214 45.150 -0.936 2
1 1253 . 1 1 A 105 105 GLY N N 105 104.168 107.819 -3.651 2
1 1254 . 1 1 A 106 106 CYS H H 106 9.026 8.157 0.869 2
1 1255 . 1 1 A 106 106 CYS HA H 106 4.253 4.753 -0.500 2
1 1258 . 1 1 A 106 106 CYS C C 106 173.438 174.657 -1.219 2
1 1259 . 1 1 A 106 106 CYS CA C 106 57.814 58.525 -0.711 2
1 1260 . 1 1 A 106 106 CYS CB C 106 26.162 28.228 -2.066 2
1 1261 . 1 1 A 106 106 CYS N N 106 121.949 119.852 2.097 2
1 1262 . 1 1 A 107 107 GLY H H 107 8.584 8.538 0.046 2
1 1263 . 1 1 A 107 107 GLY HA2 H 107 3.706 4.284 -0.578 2
1 1264 . 1 1 A 107 107 GLY HA3 H 107 3.954 4.306 -0.352 2
1 1265 . 1 1 A 107 107 GLY C C 107 173.461 174.468 -1.007 2
1 1266 . 1 1 A 107 107 GLY CA C 107 45.258 44.932 0.326 2
1 1267 . 1 1 A 107 107 GLY N N 107 114.561 112.417 2.144 2
1 1268 . 1 1 A 108 108 GLU H H 108 8.503 8.907 -0.404 2
1 1269 . 1 1 A 108 108 GLU HA H 108 4.051 4.132 -0.081 2
1 1274 . 1 1 A 108 108 GLU C C 108 178.118 178.149 -0.031 2
1 1275 . 1 1 A 108 108 GLU CA C 108 57.478 58.858 -1.380 2
1 1276 . 1 1 A 108 108 GLU CB C 108 29.835 30.192 -0.357 2
1 1278 . 1 1 A 108 108 GLU N N 108 119.609 122.164 -2.555 2
1 1279 . 1 1 A 109 109 SER H H 109 8.082 8.025 0.057 2
1 1280 . 1 1 A 109 109 SER HA H 109 4.127 4.414 -0.287 2
1 1283 . 1 1 A 109 109 SER C C 109 173.569 174.768 -1.199 2
1 1284 . 1 1 A 109 109 SER CA C 109 60.141 60.159 -0.018 2
1 1285 . 1 1 A 109 109 SER CB C 109 63.935 63.626 0.309 2
1 1286 . 1 1 A 109 109 SER N N 109 112.186 113.560 -1.374 2
1 1287 . 1 1 A 110 110 ILE H H 110 6.570 7.847 -1.277 2
1 1288 . 1 1 A 110 110 ILE HA H 110 4.235 4.567 -0.332 2
1 1298 . 1 1 A 110 110 ILE CA C 110 58.031 58.044 -0.013 2
1 1299 . 1 1 A 110 110 ILE CB C 110 39.086 38.548 0.538 2
1 1303 . 1 1 A 110 110 ILE N N 110 116.937 115.868 1.069 2
1 1304 . 1 1 A 111 111 PRO HA H 111 4.510 4.786 -0.276 2
1 1311 . 1 1 A 111 111 PRO C C 111 179.076 176.776 2.300 2
1 1312 . 1 1 A 111 111 PRO CA C 111 61.703 63.145 -1.442 2
1 1313 . 1 1 A 111 111 PRO CB C 111 32.729 32.156 0.573 2
1 1316 . 1 1 A 112 112 GLY H H 112 9.018 8.436 0.582 2
1 1317 . 1 1 A 112 112 GLY HA2 H 112 3.461 4.076 -0.615 2
1 1318 . 1 1 A 112 112 GLY HA3 H 112 3.714 4.081 -0.367 2
1 1319 . 1 1 A 112 112 GLY C C 112 172.723 174.253 -1.530 2
1 1320 . 1 1 A 112 112 GLY CA C 112 46.262 45.494 0.768 2
1 1321 . 1 1 A 112 112 GLY N N 112 111.592 108.804 2.788 2
1 1322 . 1 1 A 113 113 ASN H H 113 8.381 8.509 -0.128 2
1 1323 . 1 1 A 113 113 ASN HA H 113 4.278 4.508 -0.231 2
1 1328 . 1 1 A 113 113 ASN C C 113 174.643 174.214 0.429 2
1 1329 . 1 1 A 113 113 ASN CA C 113 54.388 53.860 0.528 2
1 1330 . 1 1 A 113 113 ASN CB C 113 37.204 37.694 -0.490 2
1 1331 . 1 1 A 113 113 ASN N N 113 116.937 116.657 0.280 2
1 1333 . 1 1 A 114 114 SER H H 114 7.617 7.680 -0.063 2
1 1334 . 1 1 A 114 114 SER HA H 114 4.517 4.856 -0.339 2
1 1337 . 1 1 A 114 114 SER C C 114 172.904 172.941 -0.037 2
1 1338 . 1 1 A 114 114 SER CA C 114 59.864 57.315 2.549 2
1 1339 . 1 1 A 114 114 SER CB C 114 64.678 65.628 -0.950 2
1 1340 . 1 1 A 114 114 SER N N 114 113.077 113.711 -0.634 2
1 1341 . 1 1 A 115 115 VAL H H 115 8.500 8.544 -0.044 2
1 1342 . 1 1 A 115 115 VAL HA H 115 4.341 4.951 -0.610 2
1 1350 . 1 1 A 115 115 VAL C C 115 176.075 174.220 1.855 2
1 1351 . 1 1 A 115 115 VAL CA C 115 62.705 60.560 2.145 2
1 1352 . 1 1 A 115 115 VAL CB C 115 31.546 33.671 -2.125 2
1 1355 . 1 1 A 115 115 VAL N N 115 124.360 122.943 1.417 2
1 1356 . 1 1 A 116 116 LEU H H 116 9.104 8.951 0.153 2
1 1357 . 1 1 A 116 116 LEU HA H 116 5.002 4.918 0.084 2
1 1367 . 1 1 A 116 116 LEU C C 116 174.923 175.649 -0.726 2
1 1368 . 1 1 A 116 116 LEU CA C 116 53.123 53.419 -0.296 2
1 1369 . 1 1 A 116 116 LEU CB C 116 45.379 45.459 -0.080 2
1 1373 . 1 1 A 116 116 LEU N N 116 128.814 129.462 -0.648 2
1 1374 . 1 1 A 117 117 LEU H H 117 9.009 8.367 0.642 2
1 1375 . 1 1 A 117 117 LEU HA H 117 5.601 5.145 0.456 2
1 1385 . 1 1 A 117 117 LEU C C 117 176.574 175.195 1.379 2
1 1386 . 1 1 A 117 117 LEU CA C 117 52.750 53.076 -0.326 2
1 1387 . 1 1 A 117 117 LEU CB C 117 44.693 44.297 0.396 2
1 1391 . 1 1 A 117 117 LEU N N 117 121.391 120.238 1.153 2
1 1392 . 1 1 A 118 118 PHE H H 118 9.375 8.901 0.474 2
1 1393 . 1 1 A 118 118 PHE HA H 118 6.155 5.106 1.049 2
1 1401 . 1 1 A 118 118 PHE C C 118 176.518 175.567 0.951 2
1 1402 . 1 1 A 118 118 PHE CA C 118 55.411 56.334 -0.923 2
1 1403 . 1 1 A 118 118 PHE CB C 118 42.385 42.234 0.151 2
1 1404 . 1 1 A 118 118 PHE N N 118 117.531 122.061 -4.530 2
1 1405 . 1 1 A 119 119 GLU H H 119 8.905 9.712 -0.807 2
1 1406 . 1 1 A 119 119 GLU HA H 119 5.604 4.712 0.892 2
1 1411 . 1 1 A 119 119 GLU C C 119 175.947 175.887 0.060 2
1 1412 . 1 1 A 119 119 GLU CA C 119 60.489 56.795 3.694 2
1 1413 . 1 1 A 119 119 GLU CB C 119 31.189 30.370 0.819 2
1 1415 . 1 1 A 119 119 GLU N N 119 122.876 122.998 -0.122 2
1 1416 . 1 1 A 120 120 ILE H H 120 8.912 8.924 -0.012 2
1 1417 . 1 1 A 120 120 ILE HA H 120 4.965 5.024 -0.059 2
1 1427 . 1 1 A 120 120 ILE C C 120 173.341 174.507 -1.166 2
1 1428 . 1 1 A 120 120 ILE CA C 120 60.568 60.255 0.313 2
1 1429 . 1 1 A 120 120 ILE CB C 120 41.927 39.233 2.694 2
1 1433 . 1 1 A 120 120 ILE N N 120 123.000 126.288 -3.288 2
1 1434 . 1 1 A 121 121 GLU H H 121 9.074 8.968 0.106 2
1 1435 . 1 1 A 121 121 GLU HA H 121 5.445 5.067 0.378 2
1 1440 . 1 1 A 121 121 GLU C C 121 175.254 174.670 0.584 2
1 1441 . 1 1 A 121 121 GLU CA C 121 53.941 54.619 -0.678 2
1 1442 . 1 1 A 121 121 GLU CB C 121 33.897 32.873 1.024 2
1 1444 . 1 1 A 121 121 GLU N N 121 128.221 128.685 -0.464 2
1 1445 . 1 1 A 122 122 LEU H H 122 8.112 8.719 -0.607 2
1 1446 . 1 1 A 122 122 LEU HA H 122 4.680 4.476 0.204 2
1 1456 . 1 1 A 122 122 LEU C C 122 174.472 176.834 -2.362 2
1 1457 . 1 1 A 122 122 LEU CA C 122 54.403 54.338 0.065 2
1 1458 . 1 1 A 122 122 LEU CB C 122 40.796 41.955 -1.159 2
1 1462 . 1 1 A 122 122 LEU N N 122 127.033 127.960 -0.927 2
1 1463 . 1 1 A 123 123 LEU H H 123 8.704 8.480 0.224 2
1 1464 . 1 1 A 123 123 LEU HA H 123 4.385 4.514 -0.129 2
1 1474 . 1 1 A 123 123 LEU C C 123 177.614 177.000 0.614 2
1 1475 . 1 1 A 123 123 LEU CA C 123 57.095 55.225 1.870 2
1 1476 . 1 1 A 123 123 LEU CB C 123 42.226 42.820 -0.594 2
1 1480 . 1 1 A 123 123 LEU N N 123 128.814 123.349 5.465 2
1 1481 . 1 1 A 124 124 SER H H 124 7.602 7.379 0.223 2
1 1482 . 1 1 A 124 124 SER HA H 124 4.161 5.071 -0.910 2
1 1485 . 1 1 A 124 124 SER C C 124 171.375 172.760 -1.385 2
1 1486 . 1 1 A 124 124 SER CA C 124 57.545 57.612 -0.067 2
1 1487 . 1 1 A 124 124 SER CB C 124 63.359 66.357 -2.998 2
1 1488 . 1 1 A 124 124 SER N N 124 105.653 114.053 -8.400 2
1 1489 . 1 1 A 125 125 PHE H H 125 7.818 8.981 -1.163 2
1 1490 . 1 1 A 125 125 PHE HA H 125 5.451 5.340 0.111 2
1 1498 . 1 1 A 125 125 PHE C C 125 173.154 173.130 0.024 2
1 1499 . 1 1 A 125 125 PHE CA C 125 56.463 56.273 0.190 2
1 1500 . 1 1 A 125 125 PHE CB C 125 42.301 41.179 1.122 2
1 1501 . 1 1 A 125 125 PHE N N 125 113.373 120.065 -6.692 2
1 1502 . 1 1 A 126 126 ARG H H 126 8.934 8.681 0.253 2
1 1503 . 1 1 A 126 126 ARG HA H 126 4.693 4.759 -0.066 2
1 1510 . 1 1 A 126 126 ARG C C 126 174.013 174.092 -0.079 2
1 1511 . 1 1 A 126 126 ARG CA C 126 54.654 54.500 0.154 2
1 1512 . 1 1 A 126 126 ARG CB C 126 33.064 33.823 -0.759 2
1 1515 . 1 1 A 126 126 ARG N N 126 116.046 118.310 -2.264 2
1 1516 . 1 1 A 127 127 GLU H H 127 8.665 8.559 0.106 2
1 1517 . 1 1 A 127 127 GLU HA H 127 4.436 4.911 -0.475 2
1 1522 . 1 1 A 127 127 GLU C C 127 176.050 175.549 0.501 2
1 1523 . 1 1 A 127 127 GLU CA C 127 55.552 55.403 0.149 2
1 1524 . 1 1 A 127 127 GLU CB C 127 30.600 31.689 -1.089 2
stop_
save_