data_10165_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10165
_Entry.PDB_ID 2EEF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER CA C 6 58.655 58.918 -0.263 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.501 4.756 -0.255 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.644 62.609 1.035 1
1 6 . 1 1 1 A 6 6 SER C C 6 175.063 175.076 -0.013 1
1 7 . 1 1 1 A 7 7 GLY N N 7 111.113 114.295 -3.182 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.473 8.692 -0.219 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.373 45.627 -0.254 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 3.967 4.016 -0.049 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 3.967 4.016 -0.049 1
1 12 . 1 1 1 A 7 7 GLY C C 7 173.934 173.567 0.367 1
1 13 . 1 1 1 A 8 8 ALA N N 8 123.788 125.594 -1.806 1
1 14 . 1 1 1 A 8 8 ALA H H 8 8.197 8.011 0.186 1
1 15 . 1 1 1 A 8 8 ALA CA C 8 52.548 51.406 1.142 1
1 16 . 1 1 1 A 8 8 ALA HA H 8 4.342 4.959 -0.617 1
1 17 . 1 1 1 A 8 8 ALA CB C 8 19.403 22.921 -3.518 1
1 21 . 1 1 1 A 8 8 ALA C C 8 177.902 175.294 2.608 1
1 22 . 1 1 1 A 9 9 GLU N N 9 120.004 119.232 0.772 1
1 23 . 1 1 1 A 9 9 GLU H H 9 8.524 8.846 -0.322 1
1 24 . 1 1 1 A 9 9 GLU CA C 9 56.763 54.605 2.158 1
1 25 . 1 1 1 A 9 9 GLU HA H 9 4.308 5.110 -0.802 1
1 26 . 1 1 1 A 9 9 GLU CB C 9 30.161 31.604 -1.443 1
1 32 . 1 1 1 A 9 9 GLU C C 9 176.646 174.746 1.900 1
1 33 . 1 1 1 A 10 10 SER N N 10 116.268 121.623 -5.355 1
1 34 . 1 1 1 A 10 10 SER H H 10 8.305 8.849 -0.544 1
1 35 . 1 1 1 A 10 10 SER CA C 10 58.426 58.696 -0.270 1
1 36 . 1 1 1 A 10 10 SER HA H 10 4.429 4.759 -0.330 1
1 37 . 1 1 1 A 10 10 SER CB C 10 63.933 64.003 -0.070 1
1 40 . 1 1 1 A 10 10 SER C C 10 174.267 174.679 -0.412 1
1 41 . 1 1 1 A 11 11 GLU N N 11 122.435 124.117 -1.682 1
1 42 . 1 1 1 A 11 11 GLU H H 11 8.368 8.541 -0.173 1
1 43 . 1 1 1 A 11 11 GLU CA C 11 56.233 56.925 -0.692 1
1 44 . 1 1 1 A 11 11 GLU HA H 11 4.367 4.296 0.071 1
1 45 . 1 1 1 A 11 11 GLU CB C 11 30.692 30.653 0.039 1
1 51 . 1 1 1 A 11 11 GLU C C 11 175.800 177.024 -1.224 1
1 52 . 1 1 1 A 12 12 SER N N 12 116.596 116.914 -0.318 1
1 53 . 1 1 1 A 12 12 SER H H 12 8.299 8.601 -0.302 1
1 54 . 1 1 1 A 12 12 SER CA C 12 58.355 59.272 -0.917 1
1 55 . 1 1 1 A 12 12 SER HA H 12 4.457 4.696 -0.239 1
1 56 . 1 1 1 A 12 12 SER CB C 12 64.573 64.111 0.462 1
1 59 . 1 1 1 A 12 12 SER C C 12 173.309 174.162 -0.853 1
1 60 . 1 1 1 A 13 13 PHE N N 13 121.293 120.581 0.712 1
1 61 . 1 1 1 A 13 13 PHE H H 13 8.346 9.242 -0.896 1
1 62 . 1 1 1 A 13 13 PHE CA C 13 56.851 56.443 0.408 1
1 63 . 1 1 1 A 13 13 PHE HA H 13 5.384 5.295 0.089 1
1 64 . 1 1 1 A 13 13 PHE CB C 13 42.542 42.970 -0.428 1
1 77 . 1 1 1 A 13 13 PHE C C 13 174.500 174.915 -0.415 1
1 78 . 1 1 1 A 14 14 VAL N N 14 116.020 115.675 0.345 1
1 79 . 1 1 1 A 14 14 VAL H H 14 9.313 9.240 0.073 1
1 80 . 1 1 1 A 14 14 VAL CA C 14 60.141 59.474 0.667 1
1 81 . 1 1 1 A 14 14 VAL HA H 14 4.455 4.993 -0.538 1
1 82 . 1 1 1 A 14 14 VAL CB C 14 36.318 36.358 -0.040 1
1 92 . 1 1 1 A 14 14 VAL C C 14 174.668 175.034 -0.366 1
1 93 . 1 1 1 A 15 15 LEU N N 15 121.725 121.468 0.257 1
1 94 . 1 1 1 A 15 15 LEU H H 15 8.476 8.649 -0.173 1
1 95 . 1 1 1 A 15 15 LEU CA C 15 54.800 52.950 1.850 1
1 96 . 1 1 1 A 15 15 LEU HA H 15 4.403 5.072 -0.669 1
1 97 . 1 1 1 A 15 15 LEU CB C 15 39.816 43.680 -3.864 1
1 110 . 1 1 1 A 15 15 LEU C C 15 177.001 176.003 0.998 1
1 111 . 1 1 1 A 16 16 ASP N N 16 126.576 124.655 1.921 1
1 112 . 1 1 1 A 16 16 ASP H H 16 8.766 8.697 0.069 1
1 113 . 1 1 1 A 16 16 ASP CA C 16 52.828 53.328 -0.500 1
1 114 . 1 1 1 A 16 16 ASP HA H 16 5.081 4.863 0.218 1
1 115 . 1 1 1 A 16 16 ASP CB C 16 42.268 41.339 0.929 1
1 118 . 1 1 1 A 16 16 ASP C C 16 174.640 175.825 -1.185 1
1 119 . 1 1 1 A 17 17 PHE N N 17 112.958 117.751 -4.793 1
1 120 . 1 1 1 A 17 17 PHE H H 17 6.915 7.139 -0.224 1
1 121 . 1 1 1 A 17 17 PHE CA C 17 55.489 56.285 -0.796 1
1 122 . 1 1 1 A 17 17 PHE HA H 17 4.938 5.135 -0.197 1
1 123 . 1 1 1 A 17 17 PHE CB C 17 39.154 41.463 -2.309 1
1 136 . 1 1 1 A 17 17 PHE C C 17 173.746 173.092 0.654 1
1 137 . 1 1 1 A 18 18 SER N N 18 114.977 114.557 0.420 1
1 138 . 1 1 1 A 18 18 SER H H 18 8.569 8.856 -0.287 1
1 139 . 1 1 1 A 18 18 SER CA C 18 57.046 57.557 -0.511 1
1 140 . 1 1 1 A 18 18 SER HA H 18 4.670 4.775 -0.105 1
1 141 . 1 1 1 A 18 18 SER CB C 18 63.974 64.054 -0.080 1
1 144 . 1 1 1 A 18 18 SER C C 18 175.437 174.667 0.770 1
1 145 . 1 1 1 A 19 19 GLN N N 19 123.586 123.309 0.277 1
1 146 . 1 1 1 A 19 19 GLN H H 19 9.033 8.442 0.591 1
1 147 . 1 1 1 A 19 19 GLN CA C 19 54.023 55.084 -1.061 1
1 148 . 1 1 1 A 19 19 GLN HA H 19 4.558 4.445 0.113 1
1 149 . 1 1 1 A 19 19 GLN CB C 19 27.994 28.590 -0.596 1
1 158 . 1 1 1 A 19 19 GLN C C 19 177.642 176.391 1.251 1
1 159 . 1 1 1 A 20 20 PRO CA C 20 65.836 65.479 0.357 1
1 160 . 1 1 1 A 20 20 PRO HA H 20 4.370 4.542 -0.172 1
1 161 . 1 1 1 A 20 20 PRO CB C 20 32.556 32.266 0.290 1
1 170 . 1 1 1 A 20 20 PRO C C 20 178.374 177.988 0.386 1
1 171 . 1 1 1 A 21 21 SER N N 21 104.386 112.049 -7.663 1
1 172 . 1 1 1 A 21 21 SER H H 21 7.216 8.003 -0.787 1
1 173 . 1 1 1 A 21 21 SER CA C 21 58.886 61.262 -2.376 1
1 174 . 1 1 1 A 21 21 SER HA H 21 3.271 3.837 -0.566 1
1 175 . 1 1 1 A 21 21 SER CB C 21 62.401 62.876 -0.475 1
1 178 . 1 1 1 A 21 21 SER C C 21 174.423 176.915 -2.492 1
1 179 . 1 1 1 A 22 22 ALA N N 22 123.008 122.250 0.758 1
1 180 . 1 1 1 A 22 22 ALA H H 22 7.700 8.098 -0.398 1
1 181 . 1 1 1 A 22 22 ALA CA C 22 53.968 55.616 -1.648 1
1 182 . 1 1 1 A 22 22 ALA HA H 22 4.198 4.098 0.100 1
1 183 . 1 1 1 A 22 22 ALA CB C 22 18.504 19.250 -0.746 1
1 187 . 1 1 1 A 22 22 ALA C C 22 177.624 178.064 -0.440 1
1 188 . 1 1 1 A 23 23 ASP N N 23 117.789 117.676 0.113 1
1 189 . 1 1 1 A 23 23 ASP H H 23 7.080 8.061 -0.981 1
1 190 . 1 1 1 A 23 23 ASP CA C 23 52.151 53.595 -1.444 1
1 191 . 1 1 1 A 23 23 ASP HA H 23 4.893 4.975 -0.082 1
1 192 . 1 1 1 A 23 23 ASP CB C 23 40.592 40.236 0.356 1
1 195 . 1 1 1 A 23 23 ASP C C 23 175.032 176.080 -1.048 1
1 196 . 1 1 1 A 24 24 TYR N N 24 123.295 126.474 -3.179 1
1 197 . 1 1 1 A 24 24 TYR H H 24 8.217 9.006 -0.789 1
1 198 . 1 1 1 A 24 24 TYR CA C 24 61.711 61.580 0.131 1
1 199 . 1 1 1 A 24 24 TYR HA H 24 4.196 4.082 0.114 1
1 200 . 1 1 1 A 24 24 TYR CB C 24 38.456 38.851 -0.395 1
1 211 . 1 1 1 A 24 24 TYR C C 24 177.434 177.287 0.147 1
1 212 . 1 1 1 A 25 25 LEU N N 25 119.429 120.819 -1.390 1
1 213 . 1 1 1 A 25 25 LEU H H 25 8.074 8.341 -0.267 1
1 214 . 1 1 1 A 25 25 LEU CA C 25 57.691 58.272 -0.581 1
1 215 . 1 1 1 A 25 25 LEU HA H 25 3.967 3.712 0.255 1
1 216 . 1 1 1 A 25 25 LEU CB C 25 41.388 41.337 0.051 1
1 229 . 1 1 1 A 25 25 LEU C C 25 178.768 178.404 0.364 1
1 230 . 1 1 1 A 26 26 ASP N N 26 119.881 118.761 1.120 1
1 231 . 1 1 1 A 26 26 ASP H H 26 7.561 8.270 -0.709 1
1 232 . 1 1 1 A 26 26 ASP CA C 26 57.625 56.612 1.013 1
1 233 . 1 1 1 A 26 26 ASP HA H 26 4.367 4.439 -0.072 1
1 234 . 1 1 1 A 26 26 ASP CB C 26 42.955 41.099 1.856 1
1 237 . 1 1 1 A 26 26 ASP C C 26 177.657 177.984 -0.327 1
1 238 . 1 1 1 A 27 27 PHE N N 27 118.946 120.349 -1.403 1
1 239 . 1 1 1 A 27 27 PHE H H 27 8.750 8.044 0.706 1
1 240 . 1 1 1 A 27 27 PHE CA C 27 61.323 60.773 0.550 1
1 241 . 1 1 1 A 27 27 PHE HA H 27 4.088 4.146 -0.058 1
1 242 . 1 1 1 A 27 27 PHE CB C 27 39.606 39.629 -0.023 1
1 255 . 1 1 1 A 27 27 PHE C C 27 176.662 177.182 -0.520 1
1 256 . 1 1 1 A 28 28 ARG N N 28 116.744 118.716 -1.972 1
1 257 . 1 1 1 A 28 28 ARG H H 28 8.079 8.351 -0.272 1
1 258 . 1 1 1 A 28 28 ARG CA C 28 59.051 58.815 0.236 1
1 259 . 1 1 1 A 28 28 ARG HA H 28 3.590 4.037 -0.447 1
1 260 . 1 1 1 A 28 28 ARG CB C 28 29.516 29.745 -0.229 1
1 269 . 1 1 1 A 28 28 ARG C C 28 179.306 178.315 0.991 1
1 270 . 1 1 1 A 29 29 ASN N N 29 119.381 117.782 1.599 1
1 271 . 1 1 1 A 29 29 ASN H H 29 8.106 8.195 -0.089 1
1 272 . 1 1 1 A 29 29 ASN CA C 29 55.861 55.739 0.122 1
1 273 . 1 1 1 A 29 29 ASN HA H 29 4.361 4.345 0.016 1
1 274 . 1 1 1 A 29 29 ASN CB C 29 37.622 38.095 -0.473 1
1 280 . 1 1 1 A 29 29 ASN C C 29 178.555 178.351 0.204 1
1 281 . 1 1 1 A 30 30 ARG N N 30 123.244 119.862 3.382 1
1 282 . 1 1 1 A 30 30 ARG H H 30 8.640 7.772 0.868 1
1 283 . 1 1 1 A 30 30 ARG CA C 30 59.708 58.612 1.096 1
1 284 . 1 1 1 A 30 30 ARG HA H 30 3.912 3.998 -0.086 1
1 285 . 1 1 1 A 30 30 ARG CB C 30 30.910 30.044 0.866 1
1 296 . 1 1 1 A 30 30 ARG C C 30 178.651 178.778 -0.127 1
1 297 . 1 1 1 A 31 31 LEU N N 31 119.911 121.070 -1.159 1
1 298 . 1 1 1 A 31 31 LEU H H 31 7.988 7.543 0.445 1
1 299 . 1 1 1 A 31 31 LEU CA C 31 58.049 56.481 1.568 1
1 300 . 1 1 1 A 31 31 LEU HA H 31 3.409 3.976 -0.567 1
1 301 . 1 1 1 A 31 31 LEU CB C 31 41.342 41.523 -0.181 1
1 314 . 1 1 1 A 31 31 LEU C C 31 178.698 177.923 0.775 1
1 315 . 1 1 1 A 32 32 GLN N N 32 114.904 118.124 -3.220 1
1 316 . 1 1 1 A 32 32 GLN H H 32 7.416 7.783 -0.367 1
1 317 . 1 1 1 A 32 32 GLN CA C 32 58.019 56.976 1.043 1
1 318 . 1 1 1 A 32 32 GLN HA H 32 3.891 4.262 -0.371 1
1 319 . 1 1 1 A 32 32 GLN CB C 32 28.679 29.369 -0.690 1
1 328 . 1 1 1 A 32 32 GLN C C 32 176.457 176.828 -0.371 1
1 329 . 1 1 1 A 33 33 ALA N N 33 119.088 120.581 -1.493 1
1 330 . 1 1 1 A 33 33 ALA H H 33 7.791 7.539 0.252 1
1 331 . 1 1 1 A 33 33 ALA CA C 33 54.057 52.881 1.176 1
1 332 . 1 1 1 A 33 33 ALA HA H 33 4.099 4.108 -0.009 1
1 333 . 1 1 1 A 33 33 ALA CB C 33 19.921 19.226 0.695 1
1 337 . 1 1 1 A 33 33 ALA C C 33 178.303 177.174 1.129 1
1 338 . 1 1 1 A 34 34 ASP N N 34 115.377 117.442 -2.065 1
1 339 . 1 1 1 A 34 34 ASP H H 34 8.662 7.952 0.710 1
1 340 . 1 1 1 A 34 34 ASP CA C 34 55.153 53.177 1.976 1
1 341 . 1 1 1 A 34 34 ASP HA H 34 4.698 4.662 0.036 1
1 342 . 1 1 1 A 34 34 ASP CB C 34 41.976 41.385 0.591 1
1 345 . 1 1 1 A 34 34 ASP C C 34 177.531 175.476 2.055 1
1 346 . 1 1 1 A 35 35 HIS N N 35 108.110 116.192 -8.082 1
1 347 . 1 1 1 A 35 35 HIS H H 35 7.018 7.676 -0.658 1
1 348 . 1 1 1 A 35 35 HIS CA C 35 58.336 56.820 1.516 1
1 349 . 1 1 1 A 35 35 HIS HA H 35 4.543 4.403 0.140 1
1 350 . 1 1 1 A 35 35 HIS CB C 35 26.472 26.436 0.036 1
1 357 . 1 1 1 A 35 35 HIS C C 35 171.507 173.430 -1.923 1
1 358 . 1 1 1 A 36 36 VAL N N 36 115.529 116.701 -1.172 1
1 359 . 1 1 1 A 36 36 VAL H H 36 7.065 7.465 -0.400 1
1 360 . 1 1 1 A 36 36 VAL CA C 36 58.549 60.783 -2.234 1
1 361 . 1 1 1 A 36 36 VAL HA H 36 4.867 4.497 0.370 1
1 362 . 1 1 1 A 36 36 VAL CB C 36 33.135 34.428 -1.293 1
1 372 . 1 1 1 A 36 36 VAL C C 36 171.953 173.730 -1.777 1
1 373 . 1 1 1 A 37 37 CYS N N 37 124.685 124.772 -0.087 1
1 374 . 1 1 1 A 37 37 CYS H H 37 8.694 8.280 0.414 1
1 375 . 1 1 1 A 37 37 CYS CA C 37 59.979 58.428 1.551 1
1 376 . 1 1 1 A 37 37 CYS HA H 37 4.594 4.899 -0.305 1
1 377 . 1 1 1 A 37 37 CYS CB C 37 29.016 31.488 -2.472 1
1 380 . 1 1 1 A 37 37 CYS C C 37 173.445 173.042 0.403 1
1 381 . 1 1 1 A 38 38 LEU N N 38 132.291 127.727 4.564 1
1 382 . 1 1 1 A 38 38 LEU H H 38 9.625 8.799 0.826 1
1 383 . 1 1 1 A 38 38 LEU CA C 38 57.958 55.974 1.984 1
1 384 . 1 1 1 A 38 38 LEU HA H 38 4.167 4.521 -0.354 1
1 385 . 1 1 1 A 38 38 LEU CB C 38 42.189 42.943 -0.754 1
1 398 . 1 1 1 A 38 38 LEU C C 38 173.188 177.376 -4.188 1
1 399 . 1 1 1 A 39 39 GLU N N 39 127.988 128.310 -0.322 1
1 400 . 1 1 1 A 39 39 GLU H H 39 9.267 9.469 -0.202 1
1 401 . 1 1 1 A 39 39 GLU CA C 39 57.435 58.717 -1.282 1
1 402 . 1 1 1 A 39 39 GLU HA H 39 4.521 4.434 0.087 1
1 403 . 1 1 1 A 39 39 GLU CB C 39 31.891 30.552 1.339 1
1 409 . 1 1 1 A 39 39 GLU C C 39 175.300 176.387 -1.087 1
1 410 . 1 1 1 A 40 40 ASN N N 40 115.109 113.143 1.966 1
1 411 . 1 1 1 A 40 40 ASN H H 40 7.757 7.263 0.494 1
1 412 . 1 1 1 A 40 40 ASN CA C 40 52.151 51.825 0.326 1
1 413 . 1 1 1 A 40 40 ASN HA H 40 5.353 5.267 0.086 1
1 414 . 1 1 1 A 40 40 ASN CB C 40 43.324 42.034 1.290 1
1 420 . 1 1 1 A 40 40 ASN C C 40 173.918 173.039 0.879 1
1 421 . 1 1 1 A 41 41 CYS N N 41 120.861 120.384 0.477 1
1 422 . 1 1 1 A 41 41 CYS H H 41 9.646 8.901 0.745 1
1 423 . 1 1 1 A 41 41 CYS CA C 41 58.934 57.204 1.730 1
1 424 . 1 1 1 A 41 41 CYS HA H 41 5.167 5.303 -0.136 1
1 425 . 1 1 1 A 41 41 CYS CB C 41 30.293 29.826 0.467 1
1 428 . 1 1 1 A 41 41 CYS C C 41 171.600 173.912 -2.312 1
1 429 . 1 1 1 A 42 42 VAL N N 42 126.721 124.108 2.613 1
1 430 . 1 1 1 A 42 42 VAL H H 42 9.532 8.900 0.632 1
1 431 . 1 1 1 A 42 42 VAL CA C 42 60.463 59.948 0.515 1
1 432 . 1 1 1 A 42 42 VAL HA H 42 4.454 4.789 -0.335 1
1 433 . 1 1 1 A 42 42 VAL CB C 42 35.496 33.397 2.099 1
1 443 . 1 1 1 A 42 42 VAL C C 42 173.645 174.298 -0.653 1
1 444 . 1 1 1 A 43 43 LEU N N 43 127.183 123.976 3.207 1
1 445 . 1 1 1 A 43 43 LEU H H 43 8.597 8.624 -0.027 1
1 446 . 1 1 1 A 43 43 LEU CA C 43 54.209 53.525 0.684 1
1 447 . 1 1 1 A 43 43 LEU HA H 43 5.050 5.267 -0.217 1
1 448 . 1 1 1 A 43 43 LEU CB C 43 43.450 45.630 -2.180 1
1 461 . 1 1 1 A 43 43 LEU C C 43 176.151 174.732 1.419 1
1 462 . 1 1 1 A 44 44 LYS N N 44 127.086 124.956 2.130 1
1 463 . 1 1 1 A 44 44 LYS H H 44 8.726 9.035 -0.309 1
1 464 . 1 1 1 A 44 44 LYS CA C 44 55.033 54.166 0.867 1
1 465 . 1 1 1 A 44 44 LYS HA H 44 4.552 4.819 -0.267 1
1 466 . 1 1 1 A 44 44 LYS CB C 44 34.147 36.276 -2.129 1
1 478 . 1 1 1 A 44 44 LYS C C 44 175.176 176.111 -0.935 1
1 479 . 1 1 1 A 45 45 ASP N N 45 123.045 120.365 2.680 1
1 480 . 1 1 1 A 45 45 ASP H H 45 8.876 8.673 0.203 1
1 481 . 1 1 1 A 45 45 ASP CA C 45 56.515 54.961 1.554 1
1 482 . 1 1 1 A 45 45 ASP HA H 45 4.321 4.335 -0.014 1
1 483 . 1 1 1 A 45 45 ASP CB C 45 39.782 40.521 -0.739 1
1 486 . 1 1 1 A 45 45 ASP C C 45 175.339 176.466 -1.127 1
1 487 . 1 1 1 A 46 46 LYS N N 46 118.201 120.251 -2.050 1
1 488 . 1 1 1 A 46 46 LYS H H 46 8.620 9.045 -0.425 1
1 489 . 1 1 1 A 46 46 LYS CA C 46 56.158 57.167 -1.009 1
1 490 . 1 1 1 A 46 46 LYS HA H 46 4.079 3.739 0.340 1
1 491 . 1 1 1 A 46 46 LYS CB C 46 30.929 29.961 0.968 1
1 503 . 1 1 1 A 46 46 LYS C C 46 174.615 175.036 -0.421 1
1 504 . 1 1 1 A 47 47 ALA N N 47 121.283 117.724 3.559 1
1 505 . 1 1 1 A 47 47 ALA H H 47 7.611 7.085 0.526 1
1 506 . 1 1 1 A 47 47 ALA CA C 47 51.809 51.478 0.331 1
1 507 . 1 1 1 A 47 47 ALA HA H 47 5.105 4.853 0.252 1
1 508 . 1 1 1 A 47 47 ALA CB C 47 22.739 23.021 -0.282 1
1 512 . 1 1 1 A 47 47 ALA C C 47 175.508 175.164 0.344 1
1 513 . 1 1 1 A 48 48 ILE N N 48 114.639 114.890 -0.251 1
1 514 . 1 1 1 A 48 48 ILE H H 48 8.819 8.637 0.182 1
1 515 . 1 1 1 A 48 48 ILE CA C 48 59.017 58.970 0.047 1
1 516 . 1 1 1 A 48 48 ILE HA H 48 5.230 5.140 0.090 1
1 517 . 1 1 1 A 48 48 ILE CB C 48 41.811 42.578 -0.767 1
1 530 . 1 1 1 A 48 48 ILE C C 48 172.954 174.402 -1.448 1
1 531 . 1 1 1 A 49 49 ALA N N 49 126.155 122.593 3.562 1
1 532 . 1 1 1 A 49 49 ALA H H 49 8.652 8.378 0.274 1
1 533 . 1 1 1 A 49 49 ALA CA C 49 50.095 51.176 -1.081 1
1 534 . 1 1 1 A 49 49 ALA HA H 49 4.769 5.010 -0.241 1
1 535 . 1 1 1 A 49 49 ALA CB C 49 22.651 22.720 -0.069 1
1 539 . 1 1 1 A 49 49 ALA C C 49 175.812 175.695 0.117 1
1 540 . 1 1 1 A 50 50 GLY N N 50 105.980 106.037 -0.057 1
1 541 . 1 1 1 A 50 50 GLY H H 50 6.754 6.942 -0.188 1
1 542 . 1 1 1 A 50 50 GLY CA C 50 46.134 44.975 1.159 1
1 543 . 1 1 1 A 50 50 GLY HA2 H 50 3.803 3.737 0.066 1
1 544 . 1 1 1 A 50 50 GLY HA3 H 50 4.077 3.933 0.144 1
1 545 . 1 1 1 A 50 50 GLY C C 50 172.510 172.114 0.396 1
1 546 . 1 1 1 A 51 51 THR N N 51 108.648 111.870 -3.222 1
1 547 . 1 1 1 A 51 51 THR H H 51 8.556 8.764 -0.208 1
1 548 . 1 1 1 A 51 51 THR CA C 51 59.116 60.188 -1.072 1
1 549 . 1 1 1 A 51 51 THR HA H 51 5.588 5.566 0.022 1
1 550 . 1 1 1 A 51 51 THR CB C 51 72.737 70.849 1.888 1
1 556 . 1 1 1 A 51 51 THR C C 51 174.087 173.748 0.339 1
1 557 . 1 1 1 A 52 52 VAL N N 52 122.025 125.947 -3.922 1
1 558 . 1 1 1 A 52 52 VAL H H 52 9.746 9.621 0.125 1
1 559 . 1 1 1 A 52 52 VAL CA C 52 61.371 61.277 0.094 1
1 560 . 1 1 1 A 52 52 VAL HA H 52 4.463 4.779 -0.316 1
1 561 . 1 1 1 A 52 52 VAL CB C 52 36.986 33.826 3.160 1
1 571 . 1 1 1 A 52 52 VAL C C 52 174.687 175.264 -0.577 1
1 572 . 1 1 1 A 53 53 LYS N N 53 125.115 126.492 -1.377 1
1 573 . 1 1 1 A 53 53 LYS H H 53 8.567 8.973 -0.406 1
1 574 . 1 1 1 A 53 53 LYS CA C 53 53.668 55.112 -1.444 1
1 575 . 1 1 1 A 53 53 LYS HA H 53 5.599 5.123 0.476 1
1 576 . 1 1 1 A 53 53 LYS CB C 53 37.855 35.124 2.731 1
1 588 . 1 1 1 A 53 53 LYS C C 53 174.697 176.035 -1.338 1
1 589 . 1 1 1 A 54 54 VAL N N 54 110.661 118.175 -7.514 1
1 590 . 1 1 1 A 54 54 VAL H H 54 8.498 8.875 -0.377 1
1 591 . 1 1 1 A 54 54 VAL CA C 54 57.682 58.919 -1.237 1
1 592 . 1 1 1 A 54 54 VAL HA H 54 4.825 4.616 0.209 1
1 593 . 1 1 1 A 54 54 VAL CB C 54 34.634 35.552 -0.918 1
1 603 . 1 1 1 A 54 54 VAL C C 54 176.105 174.383 1.722 1
1 604 . 1 1 1 A 55 55 GLN N N 55 119.414 121.543 -2.129 1
1 605 . 1 1 1 A 55 55 GLN H H 55 7.924 8.046 -0.122 1
1 606 . 1 1 1 A 55 55 GLN CA C 55 56.023 55.951 0.072 1
1 607 . 1 1 1 A 55 55 GLN HA H 55 4.456 4.488 -0.032 1
1 608 . 1 1 1 A 55 55 GLN CB C 55 30.216 29.595 0.621 1
1 617 . 1 1 1 A 55 55 GLN C C 55 176.800 176.791 0.009 1
1 618 . 1 1 1 A 56 56 ASN N N 56 125.676 121.475 4.201 1
1 619 . 1 1 1 A 56 56 ASN H H 56 8.837 9.120 -0.283 1
1 620 . 1 1 1 A 56 56 ASN CA C 56 53.190 52.954 0.236 1
1 621 . 1 1 1 A 56 56 ASN HA H 56 4.575 4.752 -0.177 1
1 622 . 1 1 1 A 56 56 ASN CB C 56 36.855 37.718 -0.863 1
1 628 . 1 1 1 A 56 56 ASN C C 56 174.747 175.585 -0.838 1
1 629 . 1 1 1 A 57 57 LEU N N 57 124.779 123.310 1.469 1
1 630 . 1 1 1 A 57 57 LEU H H 57 7.284 8.457 -1.173 1
1 631 . 1 1 1 A 57 57 LEU CA C 57 55.224 57.436 -2.212 1
1 632 . 1 1 1 A 57 57 LEU HA H 57 4.326 3.999 0.327 1
1 633 . 1 1 1 A 57 57 LEU CB C 57 43.634 42.270 1.364 1
1 646 . 1 1 1 A 57 57 LEU C C 57 176.186 176.934 -0.748 1
1 647 . 1 1 1 A 58 58 ALA N N 58 119.342 118.948 0.394 1
1 648 . 1 1 1 A 58 58 ALA H H 58 7.724 7.812 -0.088 1
1 649 . 1 1 1 A 58 58 ALA CA C 58 51.687 50.151 1.536 1
1 650 . 1 1 1 A 58 58 ALA HA H 58 4.343 4.290 0.053 1
1 651 . 1 1 1 A 58 58 ALA CB C 58 21.122 21.608 -0.486 1
1 655 . 1 1 1 A 58 58 ALA C C 58 175.847 177.207 -1.360 1
1 656 . 1 1 1 A 59 59 PHE N N 59 118.235 117.927 0.308 1
1 657 . 1 1 1 A 59 59 PHE H H 59 8.231 8.340 -0.109 1
1 658 . 1 1 1 A 59 59 PHE CA C 59 60.105 60.715 -0.610 1
1 659 . 1 1 1 A 59 59 PHE HA H 59 4.428 4.408 0.020 1
1 660 . 1 1 1 A 59 59 PHE CB C 59 40.386 39.502 0.884 1
1 673 . 1 1 1 A 59 59 PHE C C 59 176.670 176.540 0.130 1
1 674 . 1 1 1 A 60 60 GLU N N 60 120.295 117.342 2.953 1
1 675 . 1 1 1 A 60 60 GLU H H 60 8.482 8.213 0.269 1
1 676 . 1 1 1 A 60 60 GLU CA C 60 57.134 57.103 0.031 1
1 677 . 1 1 1 A 60 60 GLU HA H 60 4.306 4.521 -0.215 1
1 678 . 1 1 1 A 60 60 GLU CB C 60 29.569 30.721 -1.152 1
1 684 . 1 1 1 A 60 60 GLU C C 60 175.584 177.005 -1.421 1
1 685 . 1 1 1 A 61 61 LYS N N 61 123.512 124.365 -0.853 1
1 686 . 1 1 1 A 61 61 LYS H H 61 8.377 8.625 -0.248 1
1 687 . 1 1 1 A 61 61 LYS CA C 61 55.939 54.927 1.012 1
1 688 . 1 1 1 A 61 61 LYS HA H 61 5.038 5.350 -0.312 1
1 689 . 1 1 1 A 61 61 LYS CB C 61 37.890 36.992 0.898 1
1 701 . 1 1 1 A 61 61 LYS C C 61 175.510 175.153 0.357 1
1 702 . 1 1 1 A 62 62 THR N N 62 117.107 117.855 -0.748 1
1 703 . 1 1 1 A 62 62 THR H H 62 8.285 8.404 -0.119 1
1 704 . 1 1 1 A 62 62 THR CA C 62 62.340 61.694 0.646 1
1 705 . 1 1 1 A 62 62 THR HA H 62 4.435 4.876 -0.441 1
1 706 . 1 1 1 A 62 62 THR CB C 62 71.605 70.790 0.815 1
1 712 . 1 1 1 A 62 62 THR C C 62 172.156 173.162 -1.006 1
1 713 . 1 1 1 A 63 63 VAL N N 63 128.402 127.124 1.278 1
1 714 . 1 1 1 A 63 63 VAL H H 63 8.719 8.727 -0.008 1
1 715 . 1 1 1 A 63 63 VAL CA C 63 60.707 60.973 -0.266 1
1 716 . 1 1 1 A 63 63 VAL HA H 63 4.755 4.725 0.030 1
1 717 . 1 1 1 A 63 63 VAL CB C 63 35.210 33.487 1.723 1
1 727 . 1 1 1 A 63 63 VAL C C 63 174.313 175.170 -0.857 1
1 728 . 1 1 1 A 64 64 LYS N N 64 123.629 125.760 -2.131 1
1 729 . 1 1 1 A 64 64 LYS H H 64 8.519 8.392 0.127 1
1 730 . 1 1 1 A 64 64 LYS CA C 64 54.850 54.794 0.056 1
1 731 . 1 1 1 A 64 64 LYS HA H 64 4.997 5.220 -0.223 1
1 732 . 1 1 1 A 64 64 LYS CB C 64 37.343 36.103 1.240 1
1 744 . 1 1 1 A 64 64 LYS C C 64 173.348 175.250 -1.902 1
1 745 . 1 1 1 A 65 65 ILE N N 65 119.250 124.501 -5.251 1
1 746 . 1 1 1 A 65 65 ILE H H 65 8.637 8.577 0.060 1
1 747 . 1 1 1 A 65 65 ILE CA C 65 57.894 60.337 -2.443 1
1 748 . 1 1 1 A 65 65 ILE HA H 65 4.451 4.541 -0.090 1
1 749 . 1 1 1 A 65 65 ILE CB C 65 37.638 38.113 -0.475 1
1 762 . 1 1 1 A 65 65 ILE C C 65 174.893 175.150 -0.257 1
1 763 . 1 1 1 A 66 66 ARG N N 66 130.193 127.987 2.206 1
1 764 . 1 1 1 A 66 66 ARG H H 66 9.244 9.218 0.026 1
1 765 . 1 1 1 A 66 66 ARG CA C 66 55.930 55.006 0.924 1
1 766 . 1 1 1 A 66 66 ARG HA H 66 5.440 4.990 0.450 1
1 767 . 1 1 1 A 66 66 ARG CB C 66 31.514 32.138 -0.624 1
1 778 . 1 1 1 A 66 66 ARG C C 66 174.161 174.845 -0.684 1
1 779 . 1 1 1 A 67 67 MET N N 67 128.046 127.448 0.598 1
1 780 . 1 1 1 A 67 67 MET H H 67 9.343 9.263 0.080 1
1 781 . 1 1 1 A 67 67 MET CA C 67 54.217 53.834 0.383 1
1 782 . 1 1 1 A 67 67 MET HA H 67 5.318 5.191 0.127 1
1 783 . 1 1 1 A 67 67 MET CB C 67 37.533 35.680 1.853 1
1 793 . 1 1 1 A 67 67 MET C C 67 173.432 173.791 -0.359 1
1 794 . 1 1 1 A 68 68 THR N N 68 118.404 116.621 1.783 1
1 795 . 1 1 1 A 68 68 THR H H 68 8.474 8.069 0.405 1
1 796 . 1 1 1 A 68 68 THR CA C 68 58.903 59.694 -0.791 1
1 797 . 1 1 1 A 68 68 THR HA H 68 3.948 4.642 -0.694 1
1 798 . 1 1 1 A 68 68 THR CB C 68 71.091 70.680 0.411 1
1 804 . 1 1 1 A 68 68 THR C C 68 170.783 172.497 -1.714 1
1 805 . 1 1 1 A 69 69 PHE N N 69 124.029 123.095 0.934 1
1 806 . 1 1 1 A 69 69 PHE H H 69 8.910 8.846 0.064 1
1 807 . 1 1 1 A 69 69 PHE CA C 69 55.772 57.606 -1.834 1
1 808 . 1 1 1 A 69 69 PHE HA H 69 4.783 4.762 0.021 1
1 809 . 1 1 1 A 69 69 PHE CB C 69 39.748 40.185 -0.437 1
1 822 . 1 1 1 A 69 69 PHE C C 69 174.951 175.067 -0.116 1
1 823 . 1 1 1 A 70 70 ASP N N 70 121.457 119.250 2.207 1
1 824 . 1 1 1 A 70 70 ASP H H 70 8.841 7.227 1.614 1
1 825 . 1 1 1 A 70 70 ASP CA C 70 52.288 52.642 -0.354 1
1 826 . 1 1 1 A 70 70 ASP HA H 70 4.661 5.230 -0.569 1
1 827 . 1 1 1 A 70 70 ASP CB C 70 40.026 41.704 -1.678 1
1 830 . 1 1 1 A 70 70 ASP C C 70 177.065 175.785 1.280 1
1 831 . 1 1 1 A 71 71 THR N N 71 114.661 115.937 -1.276 1
1 832 . 1 1 1 A 71 71 THR H H 71 8.724 9.110 -0.386 1
1 833 . 1 1 1 A 71 71 THR CA C 71 63.824 63.109 0.715 1
1 834 . 1 1 1 A 71 71 THR HA H 71 3.181 3.979 -0.798 1
1 835 . 1 1 1 A 71 71 THR CB C 71 66.535 67.003 -0.468 1
1 841 . 1 1 1 A 71 71 THR C C 71 173.648 174.000 -0.352 1
1 842 . 1 1 1 A 72 72 TRP N N 72 111.097 113.236 -2.139 1
1 843 . 1 1 1 A 72 72 TRP H H 72 8.854 8.033 0.821 1
1 844 . 1 1 1 A 72 72 TRP CA C 72 58.910 57.842 1.068 1
1 845 . 1 1 1 A 72 72 TRP HA H 72 3.951 4.244 -0.293 1
1 846 . 1 1 1 A 72 72 TRP CB C 72 24.332 26.488 -2.156 1
1 861 . 1 1 1 A 72 72 TRP C C 72 176.875 176.232 0.643 1
1 862 . 1 1 1 A 73 73 LYS N N 73 124.701 117.562 7.139 1
1 863 . 1 1 1 A 73 73 LYS H H 73 7.785 8.224 -0.439 1
1 864 . 1 1 1 A 73 73 LYS CA C 73 60.463 56.747 3.716 1
1 865 . 1 1 1 A 73 73 LYS HA H 73 4.174 4.537 -0.363 1
1 866 . 1 1 1 A 73 73 LYS CB C 73 31.024 35.370 -4.346 1
1 878 . 1 1 1 A 73 73 LYS C C 73 177.622 176.782 0.840 1
1 879 . 1 1 1 A 74 74 SER N N 74 117.041 112.806 4.235 1
1 880 . 1 1 1 A 74 74 SER H H 74 10.002 7.372 2.630 1
1 881 . 1 1 1 A 74 74 SER CA C 74 57.539 56.679 0.860 1
1 882 . 1 1 1 A 74 74 SER HA H 74 4.556 4.652 -0.096 1
1 883 . 1 1 1 A 74 74 SER CB C 74 66.372 63.096 3.276 1
1 886 . 1 1 1 A 74 74 SER C C 74 171.956 172.193 -0.237 1
1 887 . 1 1 1 A 75 75 TYR N N 75 113.320 124.776 -11.456 1
1 888 . 1 1 1 A 75 75 TYR H H 75 7.735 8.452 -0.717 1
1 889 . 1 1 1 A 75 75 TYR CA C 75 57.155 55.153 2.002 1
1 890 . 1 1 1 A 75 75 TYR HA H 75 5.229 5.765 -0.536 1
1 891 . 1 1 1 A 75 75 TYR CB C 75 40.745 42.247 -1.502 1
1 902 . 1 1 1 A 75 75 TYR C C 75 174.262 174.300 -0.038 1
1 903 . 1 1 1 A 76 76 THR N N 76 117.158 114.351 2.807 1
1 904 . 1 1 1 A 76 76 THR H H 76 9.212 8.315 0.897 1
1 905 . 1 1 1 A 76 76 THR CA C 76 62.104 60.949 1.155 1
1 906 . 1 1 1 A 76 76 THR HA H 76 4.318 4.834 -0.516 1
1 907 . 1 1 1 A 76 76 THR CB C 76 72.675 71.781 0.894 1
1 913 . 1 1 1 A 76 76 THR C C 76 171.344 172.709 -1.365 1
1 914 . 1 1 1 A 77 77 ASP N N 77 125.875 125.870 0.005 1
1 915 . 1 1 1 A 77 77 ASP H H 77 8.569 8.728 -0.159 1
1 916 . 1 1 1 A 77 77 ASP CA C 77 52.422 53.110 -0.688 1
1 917 . 1 1 1 A 77 77 ASP HA H 77 5.865 4.865 1.000 1
1 918 . 1 1 1 A 77 77 ASP CB C 77 41.512 41.199 0.313 1
1 921 . 1 1 1 A 77 77 ASP C C 77 175.921 175.149 0.772 1
1 922 . 1 1 1 A 78 78 PHE N N 78 125.666 123.522 2.144 1
1 923 . 1 1 1 A 78 78 PHE H H 78 9.992 8.466 1.526 1
1 924 . 1 1 1 A 78 78 PHE CA C 78 55.578 55.824 -0.246 1
1 925 . 1 1 1 A 78 78 PHE HA H 78 4.943 4.961 -0.018 1
1 926 . 1 1 1 A 78 78 PHE CB C 78 40.375 40.325 0.050 1
1 939 . 1 1 1 A 78 78 PHE C C 78 173.610 173.885 -0.275 1
1 940 . 1 1 1 A 79 79 PRO CA C 79 63.363 63.180 0.183 1
1 941 . 1 1 1 A 79 79 PRO HA H 79 4.615 4.577 0.038 1
1 942 . 1 1 1 A 79 79 PRO CB C 79 32.787 32.504 0.283 1
1 951 . 1 1 1 A 79 79 PRO C C 79 176.681 176.801 -0.120 1
1 952 . 1 1 1 A 80 80 CYS N N 80 117.289 121.435 -4.146 1
1 953 . 1 1 1 A 80 80 CYS H H 80 8.308 8.214 0.094 1
1 954 . 1 1 1 A 80 80 CYS CA C 80 57.675 59.381 -1.706 1
1 955 . 1 1 1 A 80 80 CYS HA H 80 5.242 5.043 0.199 1
1 956 . 1 1 1 A 80 80 CYS CB C 80 30.658 29.282 1.376 1
1 959 . 1 1 1 A 80 80 CYS C C 80 174.899 174.615 0.284 1
1 960 . 1 1 1 A 81 81 GLN N N 81 122.188 121.094 1.094 1
1 961 . 1 1 1 A 81 81 GLN H H 81 9.312 9.011 0.301 1
1 962 . 1 1 1 A 81 81 GLN CA C 81 54.620 54.788 -0.168 1
1 963 . 1 1 1 A 81 81 GLN HA H 81 4.911 4.968 -0.057 1
1 964 . 1 1 1 A 81 81 GLN CB C 81 31.213 31.736 -0.523 1
1 973 . 1 1 1 A 81 81 GLN C C 81 175.035 174.174 0.861 1
1 974 . 1 1 1 A 82 82 TYR N N 82 125.814 123.284 2.530 1
1 975 . 1 1 1 A 82 82 TYR H H 82 8.919 8.967 -0.048 1
1 976 . 1 1 1 A 82 82 TYR CA C 82 58.764 56.170 2.594 1
1 977 . 1 1 1 A 82 82 TYR HA H 82 3.403 5.198 -1.795 1
1 978 . 1 1 1 A 82 82 TYR CB C 82 38.346 41.602 -3.256 1
1 989 . 1 1 1 A 82 82 TYR C C 82 175.413 173.692 1.721 1
1 990 . 1 1 1 A 83 83 VAL N N 83 129.316 126.792 2.524 1
1 991 . 1 1 1 A 83 83 VAL H H 83 7.782 8.487 -0.705 1
1 992 . 1 1 1 A 83 83 VAL CA C 83 61.693 61.098 0.595 1
1 993 . 1 1 1 A 83 83 VAL HA H 83 3.758 4.708 -0.950 1
1 994 . 1 1 1 A 83 83 VAL CB C 83 32.564 33.813 -1.249 1
1 1004 . 1 1 1 A 83 83 VAL C C 83 173.771 174.936 -1.165 1
1 1005 . 1 1 1 A 84 84 LYS N N 84 126.665 126.330 0.335 1
1 1006 . 1 1 1 A 84 84 LYS H H 84 8.174 8.773 -0.599 1
1 1007 . 1 1 1 A 84 84 LYS CA C 84 56.144 55.273 0.871 1
1 1008 . 1 1 1 A 84 84 LYS HA H 84 4.016 4.930 -0.914 1
1 1009 . 1 1 1 A 84 84 LYS CB C 84 32.170 33.582 -1.412 1
1 1021 . 1 1 1 A 84 84 LYS C C 84 175.610 174.829 0.781 1
1 1022 . 1 1 1 A 85 85 ASP N N 85 124.262 124.093 0.169 1
1 1023 . 1 1 1 A 85 85 ASP H H 85 7.864 8.290 -0.426 1
1 1024 . 1 1 1 A 85 85 ASP CA C 85 53.349 52.586 0.763 1
1 1025 . 1 1 1 A 85 85 ASP HA H 85 4.678 5.123 -0.445 1
1 1026 . 1 1 1 A 85 85 ASP CB C 85 41.683 44.612 -2.929 1
1 1029 . 1 1 1 A 85 85 ASP C C 85 176.841 176.493 0.348 1
1 1030 . 1 1 1 A 86 86 THR N N 86 113.656 118.856 -5.200 1
1 1031 . 1 1 1 A 86 86 THR H H 86 8.065 8.895 -0.830 1
1 1032 . 1 1 1 A 86 86 THR CA C 86 63.274 65.787 -2.513 1
1 1033 . 1 1 1 A 86 86 THR HA H 86 4.086 4.015 0.071 1
1 1034 . 1 1 1 A 86 86 THR CB C 86 69.257 69.353 -0.096 1
1 1040 . 1 1 1 A 86 86 THR C C 86 174.589 175.624 -1.035 1
1 1041 . 1 1 1 A 87 87 TYR N N 87 120.837 122.801 -1.964 1
1 1042 . 1 1 1 A 87 87 TYR H H 87 8.064 8.377 -0.313 1
1 1043 . 1 1 1 A 87 87 TYR CA C 87 58.054 62.116 -4.062 1
1 1044 . 1 1 1 A 87 87 TYR HA H 87 4.527 4.075 0.452 1
1 1045 . 1 1 1 A 87 87 TYR CB C 87 38.297 38.538 -0.241 1
1 1056 . 1 1 1 A 87 87 TYR C C 87 175.590 176.452 -0.862 1
1 1057 . 1 1 1 A 88 88 ALA N N 88 125.226 121.444 3.782 1
1 1058 . 1 1 1 A 88 88 ALA H H 88 7.963 7.626 0.337 1
1 1059 . 1 1 1 A 88 88 ALA CA C 88 53.104 53.234 -0.130 1
1 1060 . 1 1 1 A 88 88 ALA HA H 88 4.389 4.213 0.176 1
1 1061 . 1 1 1 A 88 88 ALA CB C 88 19.127 19.223 -0.096 1
1 1065 . 1 1 1 A 88 88 ALA C C 88 178.497 178.202 0.295 1
1 1066 . 1 1 1 A 89 89 GLY N N 89 109.029 110.061 -1.032 1
1 1067 . 1 1 1 A 89 89 GLY H H 89 8.479 8.558 -0.079 1
1 1068 . 1 1 1 A 89 89 GLY CA C 89 45.426 45.626 -0.200 1
1 1069 . 1 1 1 A 89 89 GLY HA2 H 89 3.952 4.095 -0.143 1
1 1070 . 1 1 1 A 89 89 GLY HA3 H 89 4.079 4.096 -0.017 1
1 1071 . 1 1 1 A 89 89 GLY C C 89 174.563 175.492 -0.929 1
1 1072 . 1 1 1 A 90 90 SER N N 90 115.638 117.884 -2.246 1
1 1073 . 1 1 1 A 90 90 SER H H 90 8.232 8.936 -0.704 1
1 1074 . 1 1 1 A 90 90 SER CA C 90 58.443 61.272 -2.829 1
1 1075 . 1 1 1 A 90 90 SER HA H 90 4.574 4.222 0.352 1
1 1076 . 1 1 1 A 90 90 SER CB C 90 63.865 62.969 0.896 1
1 1079 . 1 1 1 A 90 90 SER C C 90 174.212 176.600 -2.388 1
1 1080 . 1 1 1 A 91 91 ASP N N 91 120.185 121.217 -1.032 1
1 1081 . 1 1 1 A 91 91 ASP H H 91 8.691 8.208 0.483 1
1 1082 . 1 1 1 A 91 91 ASP CA C 91 55.012 56.496 -1.484 1
1 1083 . 1 1 1 A 91 91 ASP HA H 91 4.684 4.573 0.111 1
1 1084 . 1 1 1 A 91 91 ASP CB C 91 40.643 40.965 -0.322 1
1 1087 . 1 1 1 A 91 91 ASP C C 91 176.350 176.820 -0.470 1
1 1088 . 1 1 1 A 92 92 ARG N N 92 119.690 116.704 2.986 1
1 1089 . 1 1 1 A 92 92 ARG H H 92 8.072 7.803 0.269 1
1 1090 . 1 1 1 A 92 92 ARG CA C 92 54.941 56.298 -1.357 1
1 1091 . 1 1 1 A 92 92 ARG HA H 92 5.022 4.442 0.580 1
1 1092 . 1 1 1 A 92 92 ARG CB C 92 32.816 30.492 2.324 1
1 1101 . 1 1 1 A 92 92 ARG C C 92 174.072 175.672 -1.600 1
1 1102 . 1 1 1 A 93 93 ASP N N 93 119.716 124.773 -5.057 1
1 1103 . 1 1 1 A 93 93 ASP H H 93 8.550 8.603 -0.053 1
1 1104 . 1 1 1 A 93 93 ASP CA C 93 53.411 54.333 -0.922 1
1 1105 . 1 1 1 A 93 93 ASP HA H 93 5.108 4.676 0.432 1
1 1106 . 1 1 1 A 93 93 ASP CB C 93 46.005 41.596 4.409 1
1 1109 . 1 1 1 A 93 93 ASP C C 93 174.776 175.327 -0.551 1
1 1110 . 1 1 1 A 94 94 THR N N 94 116.481 116.371 0.110 1
1 1111 . 1 1 1 A 94 94 THR H H 94 8.932 7.951 0.981 1
1 1112 . 1 1 1 A 94 94 THR CA C 94 62.287 61.131 1.156 1
1 1113 . 1 1 1 A 94 94 THR HA H 94 5.232 4.839 0.393 1
1 1114 . 1 1 1 A 94 94 THR CB C 94 70.008 70.498 -0.490 1
1 1120 . 1 1 1 A 94 94 THR C C 94 171.982 173.168 -1.186 1
1 1121 . 1 1 1 A 95 95 PHE N N 95 124.488 126.773 -2.285 1
1 1122 . 1 1 1 A 95 95 PHE H H 95 9.347 8.675 0.672 1
1 1123 . 1 1 1 A 95 95 PHE CA C 95 55.834 56.561 -0.727 1
1 1124 . 1 1 1 A 95 95 PHE HA H 95 5.321 5.223 0.098 1
1 1125 . 1 1 1 A 95 95 PHE CB C 95 43.478 40.883 2.595 1
1 1138 . 1 1 1 A 95 95 PHE C C 95 174.780 174.726 0.054 1
1 1139 . 1 1 1 A 96 96 SER N N 96 117.417 119.266 -1.849 1
1 1140 . 1 1 1 A 96 96 SER H H 96 10.108 9.068 1.040 1
1 1141 . 1 1 1 A 96 96 SER CA C 96 56.388 56.144 0.244 1
1 1142 . 1 1 1 A 96 96 SER HA H 96 5.575 5.424 0.151 1
1 1143 . 1 1 1 A 96 96 SER CB C 96 67.188 66.246 0.942 1
1 1146 . 1 1 1 A 96 96 SER C C 96 173.079 173.176 -0.097 1
1 1147 . 1 1 1 A 97 97 PHE N N 97 114.813 118.582 -3.769 1
1 1148 . 1 1 1 A 97 97 PHE H H 97 7.991 8.325 -0.334 1
1 1149 . 1 1 1 A 97 97 PHE CA C 97 56.003 55.573 0.430 1
1 1150 . 1 1 1 A 97 97 PHE HA H 97 5.249 5.373 -0.124 1
1 1151 . 1 1 1 A 97 97 PHE CB C 97 42.008 42.659 -0.651 1
1 1164 . 1 1 1 A 97 97 PHE C C 97 174.316 172.739 1.577 1
1 1165 . 1 1 1 A 98 98 ASP N N 98 121.809 118.522 3.287 1
1 1166 . 1 1 1 A 98 98 ASP H H 98 8.297 8.947 -0.650 1
1 1167 . 1 1 1 A 98 98 ASP CA C 98 54.789 52.739 2.050 1
1 1168 . 1 1 1 A 98 98 ASP HA H 98 5.006 5.468 -0.462 1
1 1169 . 1 1 1 A 98 98 ASP CB C 98 42.282 42.321 -0.039 1
1 1172 . 1 1 1 A 98 98 ASP C C 98 174.959 174.333 0.626 1
1 1173 . 1 1 1 A 99 99 ILE N N 99 126.714 126.192 0.522 1
1 1174 . 1 1 1 A 99 99 ILE H H 99 9.331 8.948 0.383 1
1 1175 . 1 1 1 A 99 99 ILE CA C 99 60.455 60.003 0.452 1
1 1176 . 1 1 1 A 99 99 ILE HA H 99 4.016 4.513 -0.497 1
1 1177 . 1 1 1 A 99 99 ILE CB C 99 42.110 39.861 2.249 1
1 1190 . 1 1 1 A 99 99 ILE C C 99 175.019 175.043 -0.024 1
1 1191 . 1 1 1 A 100 100 SER N N 100 122.590 121.697 0.893 1
1 1192 . 1 1 1 A 100 100 SER H H 100 8.345 8.623 -0.278 1
1 1193 . 1 1 1 A 100 100 SER CA C 100 58.848 56.841 2.007 1
1 1194 . 1 1 1 A 100 100 SER HA H 100 4.527 4.986 -0.459 1
1 1195 . 1 1 1 A 100 100 SER CB C 100 63.482 64.299 -0.817 1
1 1198 . 1 1 1 A 100 100 SER C C 100 173.557 174.335 -0.778 1
1 1199 . 1 1 1 A 101 101 LEU N N 101 124.776 126.378 -1.602 1
1 1200 . 1 1 1 A 101 101 LEU H H 101 8.277 8.522 -0.245 1
1 1201 . 1 1 1 A 101 101 LEU CA C 101 52.430 53.635 -1.205 1
1 1202 . 1 1 1 A 101 101 LEU HA H 101 4.375 4.314 0.061 1
1 1203 . 1 1 1 A 101 101 LEU CB C 101 40.427 41.129 -0.702 1
1 1216 . 1 1 1 A 101 101 LEU C C 101 174.363 174.690 -0.327 1
1 1217 . 1 1 1 A 102 102 PRO CA C 102 62.488 62.169 0.319 1
1 1218 . 1 1 1 A 102 102 PRO HA H 102 4.259 4.250 0.009 1
1 1219 . 1 1 1 A 102 102 PRO CB C 102 32.073 31.973 0.100 1
1 1228 . 1 1 1 A 102 102 PRO C C 102 175.687 177.664 -1.977 1
1 1229 . 1 1 1 A 103 103 GLU N N 103 118.843 121.273 -2.430 1
1 1230 . 1 1 1 A 103 103 GLU H H 103 8.286 8.622 -0.336 1
1 1231 . 1 1 1 A 103 103 GLU CA C 103 58.131 59.024 -0.893 1
1 1232 . 1 1 1 A 103 103 GLU HA H 103 4.013 4.028 -0.015 1
1 1233 . 1 1 1 A 103 103 GLU CB C 103 30.344 29.294 1.050 1
1 1239 . 1 1 1 A 103 103 GLU C C 103 176.869 175.953 0.916 1
1 1240 . 1 1 1 A 104 104 LYS N N 104 116.544 117.397 -0.853 1
1 1241 . 1 1 1 A 104 104 LYS H H 104 7.869 7.601 0.268 1
1 1242 . 1 1 1 A 104 104 LYS CA C 104 55.314 54.958 0.356 1
1 1243 . 1 1 1 A 104 104 LYS HA H 104 4.474 4.853 -0.379 1
1 1244 . 1 1 1 A 104 104 LYS CB C 104 33.428 37.196 -3.768 1
1 1256 . 1 1 1 A 104 104 LYS C C 104 175.231 174.911 0.320 1
1 1257 . 1 1 1 A 105 105 ILE N N 105 122.507 121.671 0.836 1
1 1258 . 1 1 1 A 105 105 ILE H H 105 8.236 8.601 -0.365 1
1 1259 . 1 1 1 A 105 105 ILE CA C 105 60.636 60.820 -0.184 1
1 1260 . 1 1 1 A 105 105 ILE HA H 105 4.190 4.805 -0.615 1
1 1261 . 1 1 1 A 105 105 ILE CB C 105 39.685 40.997 -1.312 1
1 1274 . 1 1 1 A 105 105 ILE C C 105 176.091 174.831 1.260 1
1 1275 . 1 1 1 A 106 106 GLN N N 106 124.467 127.745 -3.278 1
1 1276 . 1 1 1 A 106 106 GLN H H 106 8.752 9.250 -0.498 1
1 1277 . 1 1 1 A 106 106 GLN CA C 106 56.244 54.265 1.979 1
1 1278 . 1 1 1 A 106 106 GLN HA H 106 4.243 4.864 -0.621 1
1 1279 . 1 1 1 A 106 106 GLN CB C 106 28.717 31.533 -2.816 1
1 1288 . 1 1 1 A 106 106 GLN C C 106 177.593 176.262 1.331 1
1 1289 . 1 1 1 A 107 107 SER N N 107 116.963 116.004 0.959 1
1 1290 . 1 1 1 A 107 107 SER H H 107 8.623 8.803 -0.180 1
1 1291 . 1 1 1 A 107 107 SER CA C 107 60.530 58.425 2.105 1
1 1292 . 1 1 1 A 107 107 SER HA H 107 4.152 4.649 -0.497 1
1 1293 . 1 1 1 A 107 107 SER CB C 107 63.187 62.877 0.310 1
1 1296 . 1 1 1 A 107 107 SER C C 107 174.222 174.699 -0.477 1
1 1297 . 1 1 1 A 108 108 TYR N N 108 116.323 118.195 -1.872 1
1 1298 . 1 1 1 A 108 108 TYR H H 108 7.330 8.134 -0.804 1
1 1299 . 1 1 1 A 108 108 TYR CA C 108 56.727 56.849 -0.122 1
1 1300 . 1 1 1 A 108 108 TYR HA H 108 4.655 4.857 -0.202 1
1 1301 . 1 1 1 A 108 108 TYR CB C 108 37.491 40.306 -2.815 1
1 1312 . 1 1 1 A 108 108 TYR C C 108 175.768 174.993 0.775 1
1 1313 . 1 1 1 A 109 109 GLU N N 109 120.523 118.834 1.689 1
1 1314 . 1 1 1 A 109 109 GLU H H 109 7.587 7.466 0.121 1
1 1315 . 1 1 1 A 109 109 GLU CA C 109 55.573 54.779 0.794 1
1 1316 . 1 1 1 A 109 109 GLU HA H 109 4.582 4.528 0.054 1
1 1317 . 1 1 1 A 109 109 GLU CB C 109 31.360 33.499 -2.139 1
1 1323 . 1 1 1 A 109 109 GLU C C 109 176.013 174.214 1.799 1
1 1324 . 1 1 1 A 110 110 ARG N N 110 118.559 123.318 -4.759 1
1 1325 . 1 1 1 A 110 110 ARG H H 110 8.441 8.526 -0.085 1
1 1326 . 1 1 1 A 110 110 ARG CA C 110 55.667 55.595 0.072 1
1 1327 . 1 1 1 A 110 110 ARG HA H 110 4.786 4.657 0.129 1
1 1328 . 1 1 1 A 110 110 ARG CB C 110 32.404 31.541 0.863 1
1 1339 . 1 1 1 A 110 110 ARG C C 110 174.387 174.681 -0.294 1
1 1340 . 1 1 1 A 111 111 MET N N 111 122.471 123.352 -0.881 1
1 1341 . 1 1 1 A 111 111 MET H H 111 8.665 8.835 -0.170 1
1 1342 . 1 1 1 A 111 111 MET CA C 111 54.151 54.577 -0.426 1
1 1343 . 1 1 1 A 111 111 MET HA H 111 5.167 5.011 0.156 1
1 1344 . 1 1 1 A 111 111 MET CB C 111 35.735 35.571 0.164 1
1 1354 . 1 1 1 A 111 111 MET C C 111 174.924 174.577 0.347 1
1 1355 . 1 1 1 A 112 112 GLU N N 112 119.500 125.472 -5.972 1
1 1356 . 1 1 1 A 112 112 GLU H H 112 7.951 8.603 -0.652 1
1 1357 . 1 1 1 A 112 112 GLU CA C 112 53.909 54.879 -0.970 1
1 1358 . 1 1 1 A 112 112 GLU HA H 112 5.662 5.004 0.658 1
1 1359 . 1 1 1 A 112 112 GLU CB C 112 35.198 34.663 0.535 1
1 1365 . 1 1 1 A 112 112 GLU C C 112 174.483 175.015 -0.532 1
1 1366 . 1 1 1 A 113 113 PHE N N 113 115.033 118.152 -3.119 1
1 1367 . 1 1 1 A 113 113 PHE H H 113 9.278 8.901 0.377 1
1 1368 . 1 1 1 A 113 113 PHE CA C 113 55.857 55.983 -0.126 1
1 1369 . 1 1 1 A 113 113 PHE HA H 113 6.262 5.736 0.526 1
1 1370 . 1 1 1 A 113 113 PHE CB C 113 43.656 42.545 1.111 1
1 1383 . 1 1 1 A 113 113 PHE C C 113 172.253 172.934 -0.681 1
1 1384 . 1 1 1 A 114 114 ALA N N 114 121.461 121.912 -0.451 1
1 1385 . 1 1 1 A 114 114 ALA H H 114 9.475 9.249 0.226 1
1 1386 . 1 1 1 A 114 114 ALA CA C 114 50.860 50.913 -0.053 1
1 1387 . 1 1 1 A 114 114 ALA HA H 114 5.026 5.214 -0.188 1
1 1388 . 1 1 1 A 114 114 ALA CB C 114 23.129 23.945 -0.816 1
1 1392 . 1 1 1 A 114 114 ALA C C 114 174.903 176.434 -1.531 1
1 1393 . 1 1 1 A 115 115 VAL N N 115 120.899 119.303 1.596 1
1 1394 . 1 1 1 A 115 115 VAL H H 115 8.928 8.774 0.154 1
1 1395 . 1 1 1 A 115 115 VAL CA C 115 61.379 61.681 -0.302 1
1 1396 . 1 1 1 A 115 115 VAL HA H 115 4.798 4.809 -0.011 1
1 1397 . 1 1 1 A 115 115 VAL CB C 115 34.712 33.283 1.429 1
1 1407 . 1 1 1 A 115 115 VAL C C 115 174.444 174.400 0.044 1
1 1408 . 1 1 1 A 116 116 TYR N N 116 123.426 127.820 -4.394 1
1 1409 . 1 1 1 A 116 116 TYR H H 116 8.963 8.320 0.643 1
1 1410 . 1 1 1 A 116 116 TYR CA C 116 55.480 54.059 1.421 1
1 1411 . 1 1 1 A 116 116 TYR HA H 116 5.081 4.647 0.434 1
1 1412 . 1 1 1 A 116 116 TYR CB C 116 38.928 40.064 -1.136 1
1 1423 . 1 1 1 A 116 116 TYR C C 116 172.208 172.821 -0.613 1
1 1424 . 1 1 1 A 117 117 TYR N N 117 123.249 130.322 -7.073 1
1 1425 . 1 1 1 A 117 117 TYR H H 117 8.858 8.943 -0.085 1
1 1426 . 1 1 1 A 117 117 TYR CA C 117 52.371 56.456 -4.085 1
1 1427 . 1 1 1 A 117 117 TYR HA H 117 5.528 5.019 0.509 1
1 1428 . 1 1 1 A 117 117 TYR CB C 117 41.509 41.035 0.474 1
1 1439 . 1 1 1 A 117 117 TYR C C 117 173.159 173.444 -0.285 1
1 1440 . 1 1 1 A 118 118 GLU N N 118 127.681 127.200 0.481 1
1 1441 . 1 1 1 A 118 118 GLU H H 118 9.368 8.894 0.474 1
1 1442 . 1 1 1 A 118 118 GLU CA C 118 54.179 54.948 -0.769 1
1 1443 . 1 1 1 A 118 118 GLU HA H 118 5.085 4.921 0.164 1
1 1444 . 1 1 1 A 118 118 GLU CB C 118 32.099 32.289 -0.190 1
1 1450 . 1 1 1 A 118 118 GLU C C 118 175.565 174.966 0.599 1
1 1451 . 1 1 1 A 119 119 CYS N N 119 122.152 123.593 -1.441 1
1 1452 . 1 1 1 A 119 119 CYS H H 119 8.323 8.117 0.206 1
1 1453 . 1 1 1 A 119 119 CYS CA C 119 58.248 57.895 0.353 1
1 1454 . 1 1 1 A 119 119 CYS HA H 119 4.479 4.575 -0.096 1
1 1455 . 1 1 1 A 119 119 CYS CB C 119 29.065 30.795 -1.730 1
1 1458 . 1 1 1 A 119 119 CYS C C 119 174.586 172.990 1.596 1
1 1459 . 1 1 1 A 120 120 ASN N N 120 126.917 124.460 2.457 1
1 1460 . 1 1 1 A 120 120 ASN H H 120 9.858 9.177 0.681 1
1 1461 . 1 1 1 A 120 120 ASN CA C 120 53.735 54.400 -0.665 1
1 1462 . 1 1 1 A 120 120 ASN HA H 120 4.342 4.358 -0.016 1
1 1463 . 1 1 1 A 120 120 ASN CB C 120 37.873 37.396 0.477 1
1 1469 . 1 1 1 A 120 120 ASN C C 120 174.943 175.386 -0.443 1
1 1470 . 1 1 1 A 121 121 GLY N N 121 104.866 103.792 1.074 1
1 1471 . 1 1 1 A 121 121 GLY H H 121 8.776 8.573 0.203 1
1 1472 . 1 1 1 A 121 121 GLY CA C 121 45.586 46.426 -0.840 1
1 1473 . 1 1 1 A 121 121 GLY HA2 H 121 4.041 3.840 0.201 1
1 1474 . 1 1 1 A 121 121 GLY HA3 H 121 3.553 3.850 -0.297 1
1 1475 . 1 1 1 A 121 121 GLY C C 121 173.804 173.614 0.190 1
1 1476 . 1 1 1 A 122 122 GLN N N 122 119.988 118.586 1.402 1
1 1477 . 1 1 1 A 122 122 GLN H H 122 7.677 7.696 -0.019 1
1 1478 . 1 1 1 A 122 122 GLN CA C 122 53.624 53.525 0.099 1
1 1479 . 1 1 1 A 122 122 GLN HA H 122 4.395 4.734 -0.339 1
1 1480 . 1 1 1 A 122 122 GLN CB C 122 31.456 32.523 -1.067 1
1 1489 . 1 1 1 A 122 122 GLN C C 122 174.029 173.989 0.040 1
1 1490 . 1 1 1 A 123 123 THR N N 123 116.337 115.913 0.424 1
1 1491 . 1 1 1 A 123 123 THR H H 123 7.990 8.560 -0.570 1
1 1492 . 1 1 1 A 123 123 THR CA C 123 61.935 61.471 0.464 1
1 1493 . 1 1 1 A 123 123 THR HA H 123 4.620 4.638 -0.018 1
1 1494 . 1 1 1 A 123 123 THR CB C 123 70.005 70.645 -0.640 1
1 1500 . 1 1 1 A 123 123 THR C C 123 172.596 172.954 -0.358 1
1 1501 . 1 1 1 A 124 124 TYR N N 124 128.915 126.592 2.323 1
1 1502 . 1 1 1 A 124 124 TYR H H 124 9.416 8.592 0.824 1
1 1503 . 1 1 1 A 124 124 TYR CA C 124 56.388 57.020 -0.632 1
1 1504 . 1 1 1 A 124 124 TYR HA H 124 4.962 4.987 -0.025 1
1 1505 . 1 1 1 A 124 124 TYR CB C 124 40.688 39.653 1.035 1
1 1516 . 1 1 1 A 124 124 TYR C C 124 174.284 175.367 -1.083 1
1 1517 . 1 1 1 A 125 125 TRP N N 125 119.850 123.514 -3.664 1
1 1518 . 1 1 1 A 125 125 TRP H H 125 8.738 9.051 -0.313 1
1 1519 . 1 1 1 A 125 125 TRP CA C 125 56.940 55.512 1.428 1
1 1520 . 1 1 1 A 125 125 TRP HA H 125 5.388 5.468 -0.080 1
1 1521 . 1 1 1 A 125 125 TRP CB C 125 33.031 31.405 1.626 1
1 1536 . 1 1 1 A 125 125 TRP C C 125 176.973 174.558 2.415 1
1 1537 . 1 1 1 A 126 126 ASP N N 126 118.759 126.712 -7.953 1
1 1538 . 1 1 1 A 126 126 ASP H H 126 9.436 9.029 0.407 1
1 1539 . 1 1 1 A 126 126 ASP CA C 126 53.968 52.532 1.436 1
1 1540 . 1 1 1 A 126 126 ASP HA H 126 5.213 5.204 0.009 1
1 1541 . 1 1 1 A 126 126 ASP CB C 126 42.641 41.838 0.803 1
1 1544 . 1 1 1 A 126 126 ASP C C 126 176.043 174.694 1.349 1
1 1545 . 1 1 1 A 127 127 SER N N 127 119.074 120.506 -1.432 1
1 1546 . 1 1 1 A 127 127 SER H H 127 8.520 8.830 -0.310 1
1 1547 . 1 1 1 A 127 127 SER CA C 127 55.118 57.267 -2.149 1
1 1548 . 1 1 1 A 127 127 SER HA H 127 4.811 4.793 0.018 1
1 1549 . 1 1 1 A 127 127 SER CB C 127 63.866 63.197 0.669 1
1 1552 . 1 1 1 A 127 127 SER C C 127 175.840 174.320 1.520 1
1 1553 . 1 1 1 A 128 128 ASN N N 128 124.865 118.594 6.271 1
1 1554 . 1 1 1 A 128 128 ASN H H 128 9.242 8.651 0.591 1
1 1555 . 1 1 1 A 128 128 ASN CA C 128 53.224 53.078 0.146 1
1 1556 . 1 1 1 A 128 128 ASN HA H 128 4.071 2.588 1.483 1
1 1557 . 1 1 1 A 128 128 ASN CB C 128 34.281 36.180 -1.899 1
1 1563 . 1 1 1 A 128 128 ASN C C 128 176.607 174.129 2.478 1
1 1564 . 1 1 1 A 129 129 ARG N N 129 114.718 118.071 -3.353 1
1 1565 . 1 1 1 A 129 129 ARG H H 129 9.475 7.962 1.513 1
1 1566 . 1 1 1 A 129 129 ARG CA C 129 56.798 56.837 -0.039 1
1 1567 . 1 1 1 A 129 129 ARG HA H 129 3.774 3.920 -0.146 1
1 1568 . 1 1 1 A 129 129 ARG CB C 129 27.145 28.077 -0.932 1
1 1579 . 1 1 1 A 129 129 ARG C C 129 176.132 175.080 1.052 1
1 1580 . 1 1 1 A 130 130 GLY N N 130 106.337 107.155 -0.818 1
1 1581 . 1 1 1 A 130 130 GLY H H 130 7.568 7.615 -0.047 1
1 1582 . 1 1 1 A 130 130 GLY CA C 130 44.896 46.070 -1.174 1
1 1583 . 1 1 1 A 130 130 GLY HA2 H 130 4.103 3.963 0.140 1
1 1584 . 1 1 1 A 130 130 GLY HA3 H 130 3.425 3.983 -0.558 1
1 1585 . 1 1 1 A 130 130 GLY C C 130 174.521 174.012 0.509 1
1 1586 . 1 1 1 A 131 131 LYS N N 131 119.902 122.553 -2.651 1
1 1587 . 1 1 1 A 131 131 LYS H H 131 7.278 8.276 -0.998 1
1 1588 . 1 1 1 A 131 131 LYS CA C 131 57.336 57.070 0.266 1
1 1589 . 1 1 1 A 131 131 LYS HA H 131 4.132 4.331 -0.199 1
1 1590 . 1 1 1 A 131 131 LYS CB C 131 33.719 34.331 -0.612 1
1 1602 . 1 1 1 A 131 131 LYS C C 131 177.813 176.200 1.613 1
1 1603 . 1 1 1 A 132 132 ASN N N 132 107.489 114.391 -6.902 1
1 1604 . 1 1 1 A 132 132 ASN H H 132 8.268 7.610 0.658 1
1 1605 . 1 1 1 A 132 132 ASN CA C 132 54.717 52.114 2.603 1
1 1606 . 1 1 1 A 132 132 ASN HA H 132 3.691 4.987 -1.296 1
1 1607 . 1 1 1 A 132 132 ASN CB C 132 39.462 42.666 -3.204 1
1 1613 . 1 1 1 A 132 132 ASN C C 132 172.611 173.325 -0.714 1
1 1614 . 1 1 1 A 133 133 TYR N N 133 120.541 120.088 0.453 1
1 1615 . 1 1 1 A 133 133 TYR H H 133 8.696 8.561 0.135 1
1 1616 . 1 1 1 A 133 133 TYR CA C 133 58.334 56.575 1.759 1
1 1617 . 1 1 1 A 133 133 TYR HA H 133 3.879 4.194 -0.315 1
1 1618 . 1 1 1 A 133 133 TYR CB C 133 35.955 36.068 -0.113 1
1 1627 . 1 1 1 A 133 133 TYR C C 133 175.026 175.472 -0.446 1
1 1628 . 1 1 1 A 134 134 ARG N N 134 123.205 126.171 -2.966 1
1 1629 . 1 1 1 A 134 134 ARG H H 134 8.584 8.695 -0.111 1
1 1630 . 1 1 1 A 134 134 ARG CA C 134 56.025 57.105 -1.080 1
1 1631 . 1 1 1 A 134 134 ARG HA H 134 5.043 4.597 0.446 1
1 1632 . 1 1 1 A 134 134 ARG CB C 134 32.734 30.680 2.054 1
1 1643 . 1 1 1 A 134 134 ARG C C 134 174.511 175.506 -0.995 1
1 1644 . 1 1 1 A 135 135 ILE N N 135 124.430 129.237 -4.807 1
1 1645 . 1 1 1 A 135 135 ILE H H 135 8.429 8.642 -0.213 1
1 1646 . 1 1 1 A 135 135 ILE CA C 135 61.078 60.074 1.004 1
1 1647 . 1 1 1 A 135 135 ILE HA H 135 4.797 5.003 -0.206 1
1 1648 . 1 1 1 A 135 135 ILE CB C 135 39.875 38.631 1.244 1
1 1661 . 1 1 1 A 135 135 ILE C C 135 175.279 175.876 -0.597 1
1 1662 . 1 1 1 A 136 136 ILE N N 136 120.496 122.988 -2.492 1
1 1663 . 1 1 1 A 136 136 ILE H H 136 9.000 9.135 -0.135 1
1 1664 . 1 1 1 A 136 136 ILE CA C 136 59.359 59.089 0.270 1
1 1665 . 1 1 1 A 136 136 ILE HA H 136 5.028 5.264 -0.236 1
1 1666 . 1 1 1 A 136 136 ILE CB C 136 42.170 41.403 0.767 1
1 1679 . 1 1 1 A 136 136 ILE C C 136 175.144 175.065 0.079 1
1 1680 . 1 1 1 A 137 137 ARG N N 137 122.183 123.793 -1.610 1
1 1681 . 1 1 1 A 137 137 ARG H H 137 8.535 8.411 0.124 1
1 1682 . 1 1 1 A 137 137 ARG CA C 137 56.339 55.424 0.915 1
1 1683 . 1 1 1 A 137 137 ARG HA H 137 4.402 3.843 0.559 1
1 1684 . 1 1 1 A 137 137 ARG CB C 137 30.696 30.786 -0.090 1
1 1695 . 1 1 1 A 137 137 ARG C C 137 176.646 177.121 -0.475 1
1 1696 . 1 1 1 A 138 138 ALA N N 138 126.694 125.957 0.737 1
1 1697 . 1 1 1 A 138 138 ALA H H 138 8.353 8.160 0.193 1
1 1698 . 1 1 1 A 138 138 ALA CA C 138 52.808 53.991 -1.183 1
1 1699 . 1 1 1 A 138 138 ALA HA H 138 4.134 4.068 0.066 1
1 1700 . 1 1 1 A 138 138 ALA CB C 138 19.536 18.767 0.769 1
1 1704 . 1 1 1 A 138 138 ALA C C 138 177.637 178.887 -1.250 1
1 1705 . 1 1 1 A 139 139 GLU N N 139 119.890 116.388 3.502 1
1 1706 . 1 1 1 A 139 139 GLU H H 139 8.615 8.093 0.522 1
1 1707 . 1 1 1 A 139 139 GLU CA C 139 56.586 58.737 -2.151 1
1 1708 . 1 1 1 A 139 139 GLU HA H 139 4.268 4.113 0.155 1
1 1709 . 1 1 1 A 139 139 GLU CB C 139 30.137 29.297 0.840 1
1 1715 . 1 1 1 A 139 139 GLU C C 139 176.488 178.414 -1.926 1
1 1716 . 1 1 1 A 140 140 LEU N N 140 123.350 118.832 4.518 1
1 1717 . 1 1 1 A 140 140 LEU H H 140 8.224 7.591 0.633 1
1 1718 . 1 1 1 A 140 140 LEU CA C 140 55.185 57.209 -2.024 1
1 1719 . 1 1 1 A 140 140 LEU HA H 140 4.339 4.256 0.083 1
1 1720 . 1 1 1 A 140 140 LEU CB C 140 42.294 42.025 0.269 1
1 1733 . 1 1 1 A 140 140 LEU C C 140 177.456 177.421 0.035 1
1 1734 . 1 1 1 A 141 141 LYS N N 141 122.155 120.762 1.393 1
1 1735 . 1 1 1 A 141 141 LYS H H 141 8.239 7.659 0.580 1
1 1736 . 1 1 1 A 141 141 LYS CA C 141 56.480 57.227 -0.747 1
1 1737 . 1 1 1 A 141 141 LYS HA H 141 4.309 4.102 0.207 1
1 1738 . 1 1 1 A 141 141 LYS CB C 141 32.976 33.079 -0.103 1
1 1750 . 1 1 1 A 141 141 LYS C C 141 176.734 175.761 0.973 1
1 1751 . 1 1 1 A 142 142 SER N N 142 116.816 118.977 -2.161 1
1 1752 . 1 1 1 A 142 142 SER H H 142 8.369 8.501 -0.132 1
1 1753 . 1 1 1 A 142 142 SER CA C 142 58.425 57.180 1.245 1
1 1754 . 1 1 1 A 142 142 SER HA H 142 4.529 5.117 -0.588 1
1 1755 . 1 1 1 A 142 142 SER CB C 142 63.836 64.759 -0.923 1
1 1758 . 1 1 1 A 142 142 SER C C 142 175.185 173.424 1.761 1
1 1759 . 1 1 1 A 143 143 THR N N 143 115.566 120.470 -4.904 1
1 1760 . 1 1 1 A 143 143 THR H H 143 8.235 8.680 -0.445 1
1 1761 . 1 1 1 A 143 143 THR CA C 143 61.999 61.056 0.943 1
1 1762 . 1 1 1 A 143 143 THR HA H 143 4.389 4.703 -0.314 1
1 1763 . 1 1 1 A 143 143 THR CB C 143 69.634 69.931 -0.297 1
1 1769 . 1 1 1 A 143 143 THR C C 143 174.937 173.044 1.893 1
1 1770 . 1 1 1 A 144 144 GLN N N 144 122.469 128.937 -6.468 1
1 1771 . 1 1 1 A 144 144 GLN H H 144 8.345 8.926 -0.581 1
1 1772 . 1 1 1 A 144 144 GLN CA C 144 56.480 54.089 2.391 1
1 1773 . 1 1 1 A 144 144 GLN HA H 144 4.307 5.020 -0.713 1
1 1774 . 1 1 1 A 144 144 GLN CB C 144 29.307 31.758 -2.451 1
1 1783 . 1 1 1 A 144 144 GLN C C 144 176.536 175.411 1.125 1
1 1784 . 1 1 1 A 145 145 GLY N N 145 110.021 113.422 -3.401 1
1 1785 . 1 1 1 A 145 145 GLY H H 145 8.461 8.650 -0.189 1
1 1786 . 1 1 1 A 145 145 GLY CA C 145 45.355 44.246 1.109 1
1 1787 . 1 1 1 A 145 145 GLY HA2 H 145 3.967 4.067 -0.100 1
1 1788 . 1 1 1 A 145 145 GLY HA3 H 145 3.967 4.069 -0.102 1
1 1789 . 1 1 1 A 145 145 GLY C C 145 174.123 174.585 -0.462 1
1 1790 . 1 1 1 A 146 146 MET N N 146 119.836 119.055 0.781 1
1 1791 . 1 1 1 A 146 146 MET H H 146 8.197 8.917 -0.720 1
1 1792 . 1 1 1 A 146 146 MET CA C 146 55.594 56.291 -0.697 1
1 1793 . 1 1 1 A 146 146 MET HA H 146 4.538 4.076 0.462 1
1 1794 . 1 1 1 A 146 146 MET CB C 146 33.090 31.663 1.427 1
1 1804 . 1 1 1 A 146 146 MET C C 146 176.454 175.223 1.231 1
1 1805 . 1 1 1 A 147 147 THR N N 147 116.248 111.303 4.945 1
1 1806 . 1 1 1 A 147 147 THR H H 147 8.239 7.593 0.646 1
1 1807 . 1 1 1 A 147 147 THR CA C 147 61.959 60.487 1.472 1
1 1808 . 1 1 1 A 147 147 THR HA H 147 4.318 4.886 -0.568 1
1 1809 . 1 1 1 A 147 147 THR CB C 147 69.875 71.668 -1.793 1
1 1815 . 1 1 1 A 147 147 THR C C 147 174.141 172.188 1.953 1
1 1816 . 1 1 1 A 148 148 LYS N N 148 125.399 127.909 -2.510 1
1 1817 . 1 1 1 A 148 148 LYS H H 148 8.387 8.799 -0.412 1
1 1818 . 1 1 1 A 148 148 LYS CA C 148 54.186 53.603 0.583 1
1 1819 . 1 1 1 A 148 148 LYS HA H 148 4.617 4.889 -0.272 1
1 1820 . 1 1 1 A 148 148 LYS CB C 148 32.651 34.453 -1.802 1
1 1832 . 1 1 1 A 148 148 LYS C C 148 174.388 175.116 -0.728 1
1 1833 . 1 1 1 A 149 149 PRO CA C 149 63.178 62.567 0.611 1
1 1834 . 1 1 1 A 149 149 PRO HA H 149 4.406 4.700 -0.294 1
1 1835 . 1 1 1 A 149 149 PRO CB C 149 32.164 32.401 -0.237 1
1 1844 . 1 1 1 A 150 150 HIS CA C 150 56.264 55.491 0.773 1
1 1845 . 1 1 1 A 150 150 HIS HA H 150 4.626 5.093 -0.467 1
1 1846 . 1 1 1 A 150 150 HIS CB C 150 30.574 32.401 -1.827 1
1 1852 . 1 1 1 A 151 151 SER CA C 151 58.018 57.394 0.624 1
1 1853 . 1 1 1 A 151 151 SER HA H 151 4.475 5.001 -0.526 1
1 1854 . 1 1 1 A 151 151 SER CB C 151 64.139 65.979 -1.840 1
1 1856 . 1 1 1 A 151 151 SER C C 151 174.253 172.602 1.651 1
1 1857 . 1 1 1 A 152 152 GLY N N 152 110.964 110.284 0.680 1
1 1858 . 1 1 1 A 152 152 GLY H H 152 8.276 8.755 -0.479 1
1 1859 . 1 1 1 A 152 152 GLY CA C 152 44.637 44.289 0.348 1
1 1860 . 1 1 1 A 152 152 GLY HA2 H 152 4.120 4.319 -0.199 1
1 1861 . 1 1 1 A 152 152 GLY HA3 H 152 4.120 4.375 -0.255 1
1 1862 . 1 1 1 A 152 152 GLY C C 152 171.668 171.778 -0.110 1
1 1863 . 1 1 1 A 153 153 PRO CA C 153 63.147 62.843 0.304 1
1 1864 . 1 1 1 A 153 153 PRO HA H 153 4.425 4.517 -0.092 1
1 1865 . 1 1 1 A 153 153 PRO CB C 153 32.149 32.344 -0.195 1
1 1874 . 1 1 1 A 153 153 PRO C C 153 176.656 175.918 0.738 1
1 1875 . 1 1 1 A 154 154 ASP N N 154 120.420 119.611 0.809 1
1 1876 . 1 1 1 A 154 154 ASP H H 154 8.463 8.426 0.037 1
1 1877 . 1 1 1 A 154 154 ASP CA C 154 54.429 52.977 1.452 1
1 1878 . 1 1 1 A 154 154 ASP HA H 154 4.575 5.105 -0.530 1
1 1879 . 1 1 1 A 154 154 ASP CB C 154 40.979 41.828 -0.849 1
1 1882 . 1 1 1 A 154 154 ASP C C 154 176.163 175.544 0.619 1
1 1883 . 1 1 1 A 155 155 LEU N N 155 123.563 121.409 2.154 1
1 1884 . 1 1 1 A 155 155 LEU H H 155 8.266 8.523 -0.257 1
1 1885 . 1 1 1 A 155 155 LEU CA C 155 55.022 55.163 -0.141 1
1 1886 . 1 1 1 A 155 155 LEU HA H 155 4.358 4.259 0.099 1
1 1887 . 1 1 1 A 155 155 LEU CB C 155 42.157 42.685 -0.528 1
1 1900 . 1 1 1 A 155 155 LEU C C 155 176.990 177.587 -0.597 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.655 60.116 -1.461 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.501 4.390 0.111 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.644 62.680 0.964 1
1 6 . 2 1 1 A 6 6 SER C C 6 175.063 175.325 -0.262 1
1 7 . 2 1 1 A 7 7 GLY N N 7 111.113 113.195 -2.082 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.473 8.779 -0.306 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.373 45.513 -0.140 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 3.967 4.048 -0.081 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 3.967 4.048 -0.081 1
1 12 . 2 1 1 A 7 7 GLY C C 7 173.934 173.994 -0.060 1
1 13 . 2 1 1 A 8 8 ALA N N 8 123.788 126.052 -2.264 1
1 14 . 2 1 1 A 8 8 ALA H H 8 8.197 8.177 0.020 1
1 15 . 2 1 1 A 8 8 ALA CA C 8 52.548 50.806 1.742 1
1 16 . 2 1 1 A 8 8 ALA HA H 8 4.342 5.188 -0.846 1
1 17 . 2 1 1 A 8 8 ALA CB C 8 19.403 22.406 -3.003 1
1 21 . 2 1 1 A 8 8 ALA C C 8 177.902 175.691 2.211 1
1 22 . 2 1 1 A 9 9 GLU N N 9 120.004 123.487 -3.483 1
1 23 . 2 1 1 A 9 9 GLU H H 9 8.524 8.977 -0.453 1
1 24 . 2 1 1 A 9 9 GLU CA C 9 56.763 55.153 1.610 1
1 25 . 2 1 1 A 9 9 GLU HA H 9 4.308 4.973 -0.665 1
1 26 . 2 1 1 A 9 9 GLU CB C 9 30.161 30.851 -0.690 1
1 32 . 2 1 1 A 9 9 GLU C C 9 176.646 175.733 0.913 1
1 33 . 2 1 1 A 10 10 SER N N 10 116.268 120.184 -3.916 1
1 34 . 2 1 1 A 10 10 SER H H 10 8.305 8.844 -0.539 1
1 35 . 2 1 1 A 10 10 SER CA C 10 58.426 57.795 0.631 1
1 36 . 2 1 1 A 10 10 SER HA H 10 4.429 4.914 -0.485 1
1 37 . 2 1 1 A 10 10 SER CB C 10 63.933 67.228 -3.295 1
1 40 . 2 1 1 A 10 10 SER C C 10 174.267 173.351 0.916 1
1 41 . 2 1 1 A 11 11 GLU N N 11 122.435 123.109 -0.674 1
1 42 . 2 1 1 A 11 11 GLU H H 11 8.368 8.502 -0.134 1
1 43 . 2 1 1 A 11 11 GLU CA C 11 56.233 57.605 -1.372 1
1 44 . 2 1 1 A 11 11 GLU HA H 11 4.367 4.275 0.092 1
1 45 . 2 1 1 A 11 11 GLU CB C 11 30.692 30.459 0.233 1
1 51 . 2 1 1 A 11 11 GLU C C 11 175.800 176.325 -0.525 1
1 52 . 2 1 1 A 12 12 SER N N 12 116.596 116.569 0.027 1
1 53 . 2 1 1 A 12 12 SER H H 12 8.299 8.537 -0.238 1
1 54 . 2 1 1 A 12 12 SER CA C 12 58.355 56.855 1.500 1
1 55 . 2 1 1 A 12 12 SER HA H 12 4.457 5.338 -0.881 1
1 56 . 2 1 1 A 12 12 SER CB C 12 64.573 66.607 -2.034 1
1 59 . 2 1 1 A 12 12 SER C C 12 173.309 172.778 0.531 1
1 60 . 2 1 1 A 13 13 PHE N N 13 121.293 119.140 2.153 1
1 61 . 2 1 1 A 13 13 PHE H H 13 8.346 8.765 -0.419 1
1 62 . 2 1 1 A 13 13 PHE CA C 13 56.851 56.339 0.512 1
1 63 . 2 1 1 A 13 13 PHE HA H 13 5.384 5.322 0.062 1
1 64 . 2 1 1 A 13 13 PHE CB C 13 42.542 43.450 -0.908 1
1 77 . 2 1 1 A 13 13 PHE C C 13 174.500 174.738 -0.238 1
1 78 . 2 1 1 A 14 14 VAL N N 14 116.020 115.711 0.309 1
1 79 . 2 1 1 A 14 14 VAL H H 14 9.313 9.100 0.213 1
1 80 . 2 1 1 A 14 14 VAL CA C 14 60.141 59.401 0.740 1
1 81 . 2 1 1 A 14 14 VAL HA H 14 4.455 4.908 -0.453 1
1 82 . 2 1 1 A 14 14 VAL CB C 14 36.318 36.258 0.060 1
1 92 . 2 1 1 A 14 14 VAL C C 14 174.668 174.681 -0.013 1
1 93 . 2 1 1 A 15 15 LEU N N 15 121.725 121.710 0.015 1
1 94 . 2 1 1 A 15 15 LEU H H 15 8.476 8.597 -0.121 1
1 95 . 2 1 1 A 15 15 LEU CA C 15 54.800 52.682 2.118 1
1 96 . 2 1 1 A 15 15 LEU HA H 15 4.403 4.892 -0.489 1
1 97 . 2 1 1 A 15 15 LEU CB C 15 39.816 43.201 -3.385 1
1 110 . 2 1 1 A 15 15 LEU C C 15 177.001 175.843 1.158 1
1 111 . 2 1 1 A 16 16 ASP N N 16 126.576 124.941 1.635 1
1 112 . 2 1 1 A 16 16 ASP H H 16 8.766 8.528 0.238 1
1 113 . 2 1 1 A 16 16 ASP CA C 16 52.828 53.343 -0.515 1
1 114 . 2 1 1 A 16 16 ASP HA H 16 5.081 4.779 0.302 1
1 115 . 2 1 1 A 16 16 ASP CB C 16 42.268 40.472 1.796 1
1 118 . 2 1 1 A 16 16 ASP C C 16 174.640 175.414 -0.774 1
1 119 . 2 1 1 A 17 17 PHE N N 17 112.958 117.445 -4.487 1
1 120 . 2 1 1 A 17 17 PHE H H 17 6.915 7.068 -0.153 1
1 121 . 2 1 1 A 17 17 PHE CA C 17 55.489 56.228 -0.739 1
1 122 . 2 1 1 A 17 17 PHE HA H 17 4.938 5.169 -0.231 1
1 123 . 2 1 1 A 17 17 PHE CB C 17 39.154 41.616 -2.462 1
1 136 . 2 1 1 A 17 17 PHE C C 17 173.746 173.481 0.265 1
1 137 . 2 1 1 A 18 18 SER N N 18 114.977 114.870 0.107 1
1 138 . 2 1 1 A 18 18 SER H H 18 8.569 8.823 -0.254 1
1 139 . 2 1 1 A 18 18 SER CA C 18 57.046 57.884 -0.838 1
1 140 . 2 1 1 A 18 18 SER HA H 18 4.670 4.641 0.029 1
1 141 . 2 1 1 A 18 18 SER CB C 18 63.974 63.938 0.036 1
1 144 . 2 1 1 A 18 18 SER C C 18 175.437 174.719 0.718 1
1 145 . 2 1 1 A 19 19 GLN N N 19 123.586 123.004 0.582 1
1 146 . 2 1 1 A 19 19 GLN H H 19 9.033 8.444 0.589 1
1 147 . 2 1 1 A 19 19 GLN CA C 19 54.023 55.108 -1.085 1
1 148 . 2 1 1 A 19 19 GLN HA H 19 4.558 4.506 0.052 1
1 149 . 2 1 1 A 19 19 GLN CB C 19 27.994 28.456 -0.462 1
1 158 . 2 1 1 A 19 19 GLN C C 19 177.642 176.333 1.309 1
1 159 . 2 1 1 A 20 20 PRO CA C 20 65.836 65.507 0.329 1
1 160 . 2 1 1 A 20 20 PRO HA H 20 4.370 4.467 -0.097 1
1 161 . 2 1 1 A 20 20 PRO CB C 20 32.556 32.054 0.502 1
1 170 . 2 1 1 A 20 20 PRO C C 20 178.374 178.551 -0.177 1
1 171 . 2 1 1 A 21 21 SER N N 21 104.386 112.030 -7.644 1
1 172 . 2 1 1 A 21 21 SER H H 21 7.216 8.145 -0.929 1
1 173 . 2 1 1 A 21 21 SER CA C 21 58.886 61.276 -2.390 1
1 174 . 2 1 1 A 21 21 SER HA H 21 3.271 3.909 -0.638 1
1 175 . 2 1 1 A 21 21 SER CB C 21 62.401 62.402 -0.001 1
1 178 . 2 1 1 A 21 21 SER C C 21 174.423 176.835 -2.412 1
1 179 . 2 1 1 A 22 22 ALA N N 22 123.008 123.027 -0.019 1
1 180 . 2 1 1 A 22 22 ALA H H 22 7.700 8.088 -0.388 1
1 181 . 2 1 1 A 22 22 ALA CA C 22 53.968 55.503 -1.535 1
1 182 . 2 1 1 A 22 22 ALA HA H 22 4.198 4.118 0.080 1
1 183 . 2 1 1 A 22 22 ALA CB C 22 18.504 18.960 -0.456 1
1 187 . 2 1 1 A 22 22 ALA C C 22 177.624 177.838 -0.214 1
1 188 . 2 1 1 A 23 23 ASP N N 23 117.789 117.284 0.505 1
1 189 . 2 1 1 A 23 23 ASP H H 23 7.080 8.328 -1.248 1
1 190 . 2 1 1 A 23 23 ASP CA C 23 52.151 52.833 -0.682 1
1 191 . 2 1 1 A 23 23 ASP HA H 23 4.893 4.968 -0.075 1
1 192 . 2 1 1 A 23 23 ASP CB C 23 40.592 40.304 0.288 1
1 195 . 2 1 1 A 23 23 ASP C C 23 175.032 175.896 -0.864 1
1 196 . 2 1 1 A 24 24 TYR N N 24 123.295 126.724 -3.429 1
1 197 . 2 1 1 A 24 24 TYR H H 24 8.217 8.924 -0.707 1
1 198 . 2 1 1 A 24 24 TYR CA C 24 61.711 61.654 0.057 1
1 199 . 2 1 1 A 24 24 TYR HA H 24 4.196 4.092 0.104 1
1 200 . 2 1 1 A 24 24 TYR CB C 24 38.456 39.159 -0.703 1
1 211 . 2 1 1 A 24 24 TYR C C 24 177.434 177.192 0.242 1
1 212 . 2 1 1 A 25 25 LEU N N 25 119.429 121.045 -1.616 1
1 213 . 2 1 1 A 25 25 LEU H H 25 8.074 8.378 -0.304 1
1 214 . 2 1 1 A 25 25 LEU CA C 25 57.691 58.408 -0.717 1
1 215 . 2 1 1 A 25 25 LEU HA H 25 3.967 3.851 0.116 1
1 216 . 2 1 1 A 25 25 LEU CB C 25 41.388 41.450 -0.062 1
1 229 . 2 1 1 A 25 25 LEU C C 25 178.768 178.376 0.392 1
1 230 . 2 1 1 A 26 26 ASP N N 26 119.881 118.775 1.106 1
1 231 . 2 1 1 A 26 26 ASP H H 26 7.561 8.327 -0.766 1
1 232 . 2 1 1 A 26 26 ASP CA C 26 57.625 56.779 0.846 1
1 233 . 2 1 1 A 26 26 ASP HA H 26 4.367 4.352 0.015 1
1 234 . 2 1 1 A 26 26 ASP CB C 26 42.955 41.342 1.613 1
1 237 . 2 1 1 A 26 26 ASP C C 26 177.657 178.083 -0.426 1
1 238 . 2 1 1 A 27 27 PHE N N 27 118.946 120.397 -1.451 1
1 239 . 2 1 1 A 27 27 PHE H H 27 8.750 8.258 0.492 1
1 240 . 2 1 1 A 27 27 PHE CA C 27 61.323 60.978 0.345 1
1 241 . 2 1 1 A 27 27 PHE HA H 27 4.088 4.135 -0.047 1
1 242 . 2 1 1 A 27 27 PHE CB C 27 39.606 39.624 -0.018 1
1 255 . 2 1 1 A 27 27 PHE C C 27 176.662 177.189 -0.527 1
1 256 . 2 1 1 A 28 28 ARG N N 28 116.744 118.327 -1.583 1
1 257 . 2 1 1 A 28 28 ARG H H 28 8.079 8.499 -0.420 1
1 258 . 2 1 1 A 28 28 ARG CA C 28 59.051 58.682 0.369 1
1 259 . 2 1 1 A 28 28 ARG HA H 28 3.590 3.920 -0.330 1
1 260 . 2 1 1 A 28 28 ARG CB C 28 29.516 29.634 -0.118 1
1 269 . 2 1 1 A 28 28 ARG C C 28 179.306 178.016 1.290 1
1 270 . 2 1 1 A 29 29 ASN N N 29 119.381 117.836 1.545 1
1 271 . 2 1 1 A 29 29 ASN H H 29 8.106 8.201 -0.095 1
1 272 . 2 1 1 A 29 29 ASN CA C 29 55.861 56.111 -0.250 1
1 273 . 2 1 1 A 29 29 ASN HA H 29 4.361 4.406 -0.045 1
1 274 . 2 1 1 A 29 29 ASN CB C 29 37.622 37.563 0.059 1
1 280 . 2 1 1 A 29 29 ASN C C 29 178.555 178.439 0.116 1
1 281 . 2 1 1 A 30 30 ARG N N 30 123.244 119.246 3.998 1
1 282 . 2 1 1 A 30 30 ARG H H 30 8.640 7.738 0.902 1
1 283 . 2 1 1 A 30 30 ARG CA C 30 59.708 58.650 1.058 1
1 284 . 2 1 1 A 30 30 ARG HA H 30 3.912 3.952 -0.040 1
1 285 . 2 1 1 A 30 30 ARG CB C 30 30.910 29.753 1.157 1
1 296 . 2 1 1 A 30 30 ARG C C 30 178.651 178.834 -0.183 1
1 297 . 2 1 1 A 31 31 LEU N N 31 119.911 121.282 -1.371 1
1 298 . 2 1 1 A 31 31 LEU H H 31 7.988 7.349 0.639 1
1 299 . 2 1 1 A 31 31 LEU CA C 31 58.049 56.449 1.600 1
1 300 . 2 1 1 A 31 31 LEU HA H 31 3.409 3.918 -0.509 1
1 301 . 2 1 1 A 31 31 LEU CB C 31 41.342 41.422 -0.080 1
1 314 . 2 1 1 A 31 31 LEU C C 31 178.698 177.980 0.718 1
1 315 . 2 1 1 A 32 32 GLN N N 32 114.904 118.155 -3.251 1
1 316 . 2 1 1 A 32 32 GLN H H 32 7.416 7.606 -0.190 1
1 317 . 2 1 1 A 32 32 GLN CA C 32 58.019 57.310 0.709 1
1 318 . 2 1 1 A 32 32 GLN HA H 32 3.891 4.231 -0.340 1
1 319 . 2 1 1 A 32 32 GLN CB C 32 28.679 29.134 -0.455 1
1 328 . 2 1 1 A 32 32 GLN C C 32 176.457 176.926 -0.469 1
1 329 . 2 1 1 A 33 33 ALA N N 33 119.088 120.717 -1.629 1
1 330 . 2 1 1 A 33 33 ALA H H 33 7.791 7.786 0.005 1
1 331 . 2 1 1 A 33 33 ALA CA C 33 54.057 53.298 0.759 1
1 332 . 2 1 1 A 33 33 ALA HA H 33 4.099 4.084 0.015 1
1 333 . 2 1 1 A 33 33 ALA CB C 33 19.921 19.175 0.746 1
1 337 . 2 1 1 A 33 33 ALA C C 33 178.303 177.536 0.767 1
1 338 . 2 1 1 A 34 34 ASP N N 34 115.377 117.070 -1.693 1
1 339 . 2 1 1 A 34 34 ASP H H 34 8.662 7.819 0.843 1
1 340 . 2 1 1 A 34 34 ASP CA C 34 55.153 53.462 1.691 1
1 341 . 2 1 1 A 34 34 ASP HA H 34 4.698 4.659 0.039 1
1 342 . 2 1 1 A 34 34 ASP CB C 34 41.976 41.251 0.725 1
1 345 . 2 1 1 A 34 34 ASP C C 34 177.531 175.306 2.225 1
1 346 . 2 1 1 A 35 35 HIS N N 35 108.110 116.099 -7.989 1
1 347 . 2 1 1 A 35 35 HIS H H 35 7.018 7.645 -0.627 1
1 348 . 2 1 1 A 35 35 HIS CA C 35 58.336 56.775 1.561 1
1 349 . 2 1 1 A 35 35 HIS HA H 35 4.543 4.377 0.166 1
1 350 . 2 1 1 A 35 35 HIS CB C 35 26.472 26.450 0.022 1
1 357 . 2 1 1 A 35 35 HIS C C 35 171.507 173.397 -1.890 1
1 358 . 2 1 1 A 36 36 VAL N N 36 115.529 116.680 -1.151 1
1 359 . 2 1 1 A 36 36 VAL H H 36 7.065 7.448 -0.383 1
1 360 . 2 1 1 A 36 36 VAL CA C 36 58.549 60.754 -2.205 1
1 361 . 2 1 1 A 36 36 VAL HA H 36 4.867 4.415 0.452 1
1 362 . 2 1 1 A 36 36 VAL CB C 36 33.135 34.408 -1.273 1
1 372 . 2 1 1 A 36 36 VAL C C 36 171.953 173.708 -1.755 1
1 373 . 2 1 1 A 37 37 CYS N N 37 124.685 124.649 0.036 1
1 374 . 2 1 1 A 37 37 CYS H H 37 8.694 8.136 0.558 1
1 375 . 2 1 1 A 37 37 CYS CA C 37 59.979 58.427 1.552 1
1 376 . 2 1 1 A 37 37 CYS HA H 37 4.594 4.973 -0.379 1
1 377 . 2 1 1 A 37 37 CYS CB C 37 29.016 30.884 -1.868 1
1 380 . 2 1 1 A 37 37 CYS C C 37 173.445 172.937 0.508 1
1 381 . 2 1 1 A 38 38 LEU N N 38 132.291 127.054 5.237 1
1 382 . 2 1 1 A 38 38 LEU H H 38 9.625 8.945 0.680 1
1 383 . 2 1 1 A 38 38 LEU CA C 38 57.958 54.926 3.032 1
1 384 . 2 1 1 A 38 38 LEU HA H 38 4.167 4.865 -0.698 1
1 385 . 2 1 1 A 38 38 LEU CB C 38 42.189 43.553 -1.364 1
1 398 . 2 1 1 A 38 38 LEU C C 38 173.188 176.949 -3.761 1
1 399 . 2 1 1 A 39 39 GLU N N 39 127.988 127.512 0.476 1
1 400 . 2 1 1 A 39 39 GLU H H 39 9.267 9.084 0.183 1
1 401 . 2 1 1 A 39 39 GLU CA C 39 57.435 58.249 -0.814 1
1 402 . 2 1 1 A 39 39 GLU HA H 39 4.521 4.284 0.237 1
1 403 . 2 1 1 A 39 39 GLU CB C 39 31.891 30.661 1.230 1
1 409 . 2 1 1 A 39 39 GLU C C 39 175.300 176.515 -1.215 1
1 410 . 2 1 1 A 40 40 ASN N N 40 115.109 113.334 1.775 1
1 411 . 2 1 1 A 40 40 ASN H H 40 7.757 7.846 -0.089 1
1 412 . 2 1 1 A 40 40 ASN CA C 40 52.151 51.791 0.360 1
1 413 . 2 1 1 A 40 40 ASN HA H 40 5.353 5.381 -0.028 1
1 414 . 2 1 1 A 40 40 ASN CB C 40 43.324 41.708 1.616 1
1 420 . 2 1 1 A 40 40 ASN C C 40 173.918 173.309 0.609 1
1 421 . 2 1 1 A 41 41 CYS N N 41 120.861 119.826 1.035 1
1 422 . 2 1 1 A 41 41 CYS H H 41 9.646 9.073 0.573 1
1 423 . 2 1 1 A 41 41 CYS CA C 41 58.934 57.647 1.287 1
1 424 . 2 1 1 A 41 41 CYS HA H 41 5.167 5.166 0.001 1
1 425 . 2 1 1 A 41 41 CYS CB C 41 30.293 29.608 0.685 1
1 428 . 2 1 1 A 41 41 CYS C C 41 171.600 174.026 -2.426 1
1 429 . 2 1 1 A 42 42 VAL N N 42 126.721 124.604 2.117 1
1 430 . 2 1 1 A 42 42 VAL H H 42 9.532 8.813 0.719 1
1 431 . 2 1 1 A 42 42 VAL CA C 42 60.463 60.216 0.247 1
1 432 . 2 1 1 A 42 42 VAL HA H 42 4.454 4.735 -0.281 1
1 433 . 2 1 1 A 42 42 VAL CB C 42 35.496 33.427 2.069 1
1 443 . 2 1 1 A 42 42 VAL C C 42 173.645 174.289 -0.644 1
1 444 . 2 1 1 A 43 43 LEU N N 43 127.183 123.770 3.413 1
1 445 . 2 1 1 A 43 43 LEU H H 43 8.597 8.704 -0.107 1
1 446 . 2 1 1 A 43 43 LEU CA C 43 54.209 53.486 0.723 1
1 447 . 2 1 1 A 43 43 LEU HA H 43 5.050 5.224 -0.174 1
1 448 . 2 1 1 A 43 43 LEU CB C 43 43.450 46.284 -2.834 1
1 461 . 2 1 1 A 43 43 LEU C C 43 176.151 174.707 1.444 1
1 462 . 2 1 1 A 44 44 LYS N N 44 127.086 124.967 2.119 1
1 463 . 2 1 1 A 44 44 LYS H H 44 8.726 9.103 -0.377 1
1 464 . 2 1 1 A 44 44 LYS CA C 44 55.033 54.168 0.865 1
1 465 . 2 1 1 A 44 44 LYS HA H 44 4.552 4.835 -0.283 1
1 466 . 2 1 1 A 44 44 LYS CB C 44 34.147 36.040 -1.893 1
1 478 . 2 1 1 A 44 44 LYS C C 44 175.176 176.112 -0.936 1
1 479 . 2 1 1 A 45 45 ASP N N 45 123.045 120.391 2.654 1
1 480 . 2 1 1 A 45 45 ASP H H 45 8.876 8.668 0.208 1
1 481 . 2 1 1 A 45 45 ASP CA C 45 56.515 55.096 1.419 1
1 482 . 2 1 1 A 45 45 ASP HA H 45 4.321 4.343 -0.022 1
1 483 . 2 1 1 A 45 45 ASP CB C 45 39.782 40.572 -0.790 1
1 486 . 2 1 1 A 45 45 ASP C C 45 175.339 176.344 -1.005 1
1 487 . 2 1 1 A 46 46 LYS N N 46 118.201 120.285 -2.084 1
1 488 . 2 1 1 A 46 46 LYS H H 46 8.620 9.073 -0.453 1
1 489 . 2 1 1 A 46 46 LYS CA C 46 56.158 57.207 -1.049 1
1 490 . 2 1 1 A 46 46 LYS HA H 46 4.079 3.786 0.293 1
1 491 . 2 1 1 A 46 46 LYS CB C 46 30.929 30.054 0.875 1
1 503 . 2 1 1 A 46 46 LYS C C 46 174.615 175.138 -0.523 1
1 504 . 2 1 1 A 47 47 ALA N N 47 121.283 117.825 3.458 1
1 505 . 2 1 1 A 47 47 ALA H H 47 7.611 7.114 0.497 1
1 506 . 2 1 1 A 47 47 ALA CA C 47 51.809 51.503 0.306 1
1 507 . 2 1 1 A 47 47 ALA HA H 47 5.105 4.888 0.217 1
1 508 . 2 1 1 A 47 47 ALA CB C 47 22.739 23.011 -0.272 1
1 512 . 2 1 1 A 47 47 ALA C C 47 175.508 175.270 0.238 1
1 513 . 2 1 1 A 48 48 ILE N N 48 114.639 115.369 -0.730 1
1 514 . 2 1 1 A 48 48 ILE H H 48 8.819 8.577 0.242 1
1 515 . 2 1 1 A 48 48 ILE CA C 48 59.017 59.051 -0.034 1
1 516 . 2 1 1 A 48 48 ILE HA H 48 5.230 5.178 0.052 1
1 517 . 2 1 1 A 48 48 ILE CB C 48 41.811 42.328 -0.517 1
1 530 . 2 1 1 A 48 48 ILE C C 48 172.954 174.572 -1.618 1
1 531 . 2 1 1 A 49 49 ALA N N 49 126.155 122.608 3.547 1
1 532 . 2 1 1 A 49 49 ALA H H 49 8.652 8.301 0.351 1
1 533 . 2 1 1 A 49 49 ALA CA C 49 50.095 51.131 -1.036 1
1 534 . 2 1 1 A 49 49 ALA HA H 49 4.769 5.051 -0.282 1
1 535 . 2 1 1 A 49 49 ALA CB C 49 22.651 22.346 0.305 1
1 539 . 2 1 1 A 49 49 ALA C C 49 175.812 175.675 0.137 1
1 540 . 2 1 1 A 50 50 GLY N N 50 105.980 106.786 -0.806 1
1 541 . 2 1 1 A 50 50 GLY H H 50 6.754 6.916 -0.162 1
1 542 . 2 1 1 A 50 50 GLY CA C 50 46.134 44.965 1.169 1
1 543 . 2 1 1 A 50 50 GLY HA2 H 50 3.803 3.808 -0.005 1
1 544 . 2 1 1 A 50 50 GLY HA3 H 50 4.077 3.989 0.088 1
1 545 . 2 1 1 A 50 50 GLY C C 50 172.510 172.242 0.268 1
1 546 . 2 1 1 A 51 51 THR N N 51 108.648 110.916 -2.268 1
1 547 . 2 1 1 A 51 51 THR H H 51 8.556 8.779 -0.223 1
1 548 . 2 1 1 A 51 51 THR CA C 51 59.116 59.955 -0.839 1
1 549 . 2 1 1 A 51 51 THR HA H 51 5.588 5.496 0.092 1
1 550 . 2 1 1 A 51 51 THR CB C 51 72.737 70.850 1.887 1
1 556 . 2 1 1 A 51 51 THR C C 51 174.087 173.785 0.302 1
1 557 . 2 1 1 A 52 52 VAL N N 52 122.025 125.252 -3.227 1
1 558 . 2 1 1 A 52 52 VAL H H 52 9.746 9.503 0.243 1
1 559 . 2 1 1 A 52 52 VAL CA C 52 61.371 60.971 0.400 1
1 560 . 2 1 1 A 52 52 VAL HA H 52 4.463 4.866 -0.403 1
1 561 . 2 1 1 A 52 52 VAL CB C 52 36.986 34.556 2.430 1
1 571 . 2 1 1 A 52 52 VAL C C 52 174.687 175.215 -0.528 1
1 572 . 2 1 1 A 53 53 LYS N N 53 125.115 126.251 -1.136 1
1 573 . 2 1 1 A 53 53 LYS H H 53 8.567 8.955 -0.388 1
1 574 . 2 1 1 A 53 53 LYS CA C 53 53.668 54.975 -1.307 1
1 575 . 2 1 1 A 53 53 LYS HA H 53 5.599 5.119 0.480 1
1 576 . 2 1 1 A 53 53 LYS CB C 53 37.855 35.473 2.382 1
1 588 . 2 1 1 A 53 53 LYS C C 53 174.697 175.965 -1.268 1
1 589 . 2 1 1 A 54 54 VAL N N 54 110.661 118.085 -7.424 1
1 590 . 2 1 1 A 54 54 VAL H H 54 8.498 8.881 -0.383 1
1 591 . 2 1 1 A 54 54 VAL CA C 54 57.682 58.900 -1.218 1
1 592 . 2 1 1 A 54 54 VAL HA H 54 4.825 4.543 0.282 1
1 593 . 2 1 1 A 54 54 VAL CB C 54 34.634 35.507 -0.873 1
1 603 . 2 1 1 A 54 54 VAL C C 54 176.105 174.264 1.841 1
1 604 . 2 1 1 A 55 55 GLN N N 55 119.414 121.509 -2.095 1
1 605 . 2 1 1 A 55 55 GLN H H 55 7.924 8.525 -0.601 1
1 606 . 2 1 1 A 55 55 GLN CA C 55 56.023 55.653 0.370 1
1 607 . 2 1 1 A 55 55 GLN HA H 55 4.456 4.509 -0.053 1
1 608 . 2 1 1 A 55 55 GLN CB C 55 30.216 29.838 0.378 1
1 617 . 2 1 1 A 55 55 GLN C C 55 176.800 177.019 -0.219 1
1 618 . 2 1 1 A 56 56 ASN N N 56 125.676 120.556 5.120 1
1 619 . 2 1 1 A 56 56 ASN H H 56 8.837 9.037 -0.200 1
1 620 . 2 1 1 A 56 56 ASN CA C 56 53.190 52.856 0.334 1
1 621 . 2 1 1 A 56 56 ASN HA H 56 4.575 4.770 -0.195 1
1 622 . 2 1 1 A 56 56 ASN CB C 56 36.855 37.840 -0.985 1
1 628 . 2 1 1 A 56 56 ASN C C 56 174.747 175.584 -0.837 1
1 629 . 2 1 1 A 57 57 LEU N N 57 124.779 123.235 1.544 1
1 630 . 2 1 1 A 57 57 LEU H H 57 7.284 8.254 -0.970 1
1 631 . 2 1 1 A 57 57 LEU CA C 57 55.224 57.772 -2.548 1
1 632 . 2 1 1 A 57 57 LEU HA H 57 4.326 3.872 0.454 1
1 633 . 2 1 1 A 57 57 LEU CB C 57 43.634 41.661 1.973 1
1 646 . 2 1 1 A 57 57 LEU C C 57 176.186 176.887 -0.701 1
1 647 . 2 1 1 A 58 58 ALA N N 58 119.342 119.108 0.234 1
1 648 . 2 1 1 A 58 58 ALA H H 58 7.724 7.818 -0.094 1
1 649 . 2 1 1 A 58 58 ALA CA C 58 51.687 50.018 1.669 1
1 650 . 2 1 1 A 58 58 ALA HA H 58 4.343 4.338 0.005 1
1 651 . 2 1 1 A 58 58 ALA CB C 58 21.122 21.402 -0.280 1
1 655 . 2 1 1 A 58 58 ALA C C 58 175.847 177.443 -1.596 1
1 656 . 2 1 1 A 59 59 PHE N N 59 118.235 117.420 0.815 1
1 657 . 2 1 1 A 59 59 PHE H H 59 8.231 8.191 0.040 1
1 658 . 2 1 1 A 59 59 PHE CA C 59 60.105 60.868 -0.763 1
1 659 . 2 1 1 A 59 59 PHE HA H 59 4.428 4.348 0.080 1
1 660 . 2 1 1 A 59 59 PHE CB C 59 40.386 39.417 0.969 1
1 673 . 2 1 1 A 59 59 PHE C C 59 176.670 176.515 0.155 1
1 674 . 2 1 1 A 60 60 GLU N N 60 120.295 116.844 3.451 1
1 675 . 2 1 1 A 60 60 GLU H H 60 8.482 7.966 0.516 1
1 676 . 2 1 1 A 60 60 GLU CA C 60 57.134 56.053 1.081 1
1 677 . 2 1 1 A 60 60 GLU HA H 60 4.306 4.662 -0.356 1
1 678 . 2 1 1 A 60 60 GLU CB C 60 29.569 30.807 -1.238 1
1 684 . 2 1 1 A 60 60 GLU C C 60 175.584 176.035 -0.451 1
1 685 . 2 1 1 A 61 61 LYS N N 61 123.512 119.956 3.556 1
1 686 . 2 1 1 A 61 61 LYS H H 61 8.377 8.438 -0.061 1
1 687 . 2 1 1 A 61 61 LYS CA C 61 55.939 54.936 1.003 1
1 688 . 2 1 1 A 61 61 LYS HA H 61 5.038 5.218 -0.180 1
1 689 . 2 1 1 A 61 61 LYS CB C 61 37.890 37.066 0.824 1
1 701 . 2 1 1 A 61 61 LYS C C 61 175.510 175.498 0.012 1
1 702 . 2 1 1 A 62 62 THR N N 62 117.107 117.563 -0.456 1
1 703 . 2 1 1 A 62 62 THR H H 62 8.285 8.347 -0.062 1
1 704 . 2 1 1 A 62 62 THR CA C 62 62.340 61.666 0.674 1
1 705 . 2 1 1 A 62 62 THR HA H 62 4.435 4.780 -0.345 1
1 706 . 2 1 1 A 62 62 THR CB C 62 71.605 70.695 0.910 1
1 712 . 2 1 1 A 62 62 THR C C 62 172.156 173.020 -0.864 1
1 713 . 2 1 1 A 63 63 VAL N N 63 128.402 127.721 0.681 1
1 714 . 2 1 1 A 63 63 VAL H H 63 8.719 8.794 -0.075 1
1 715 . 2 1 1 A 63 63 VAL CA C 63 60.707 61.335 -0.628 1
1 716 . 2 1 1 A 63 63 VAL HA H 63 4.755 4.520 0.235 1
1 717 . 2 1 1 A 63 63 VAL CB C 63 35.210 32.316 2.894 1
1 727 . 2 1 1 A 63 63 VAL C C 63 174.313 175.584 -1.271 1
1 728 . 2 1 1 A 64 64 LYS N N 64 123.629 126.033 -2.404 1
1 729 . 2 1 1 A 64 64 LYS H H 64 8.519 8.486 0.033 1
1 730 . 2 1 1 A 64 64 LYS CA C 64 54.850 54.947 -0.097 1
1 731 . 2 1 1 A 64 64 LYS HA H 64 4.997 5.104 -0.107 1
1 732 . 2 1 1 A 64 64 LYS CB C 64 37.343 35.922 1.421 1
1 744 . 2 1 1 A 64 64 LYS C C 64 173.348 175.419 -2.071 1
1 745 . 2 1 1 A 65 65 ILE N N 65 119.250 124.743 -5.493 1
1 746 . 2 1 1 A 65 65 ILE H H 65 8.637 8.629 0.008 1
1 747 . 2 1 1 A 65 65 ILE CA C 65 57.894 60.338 -2.444 1
1 748 . 2 1 1 A 65 65 ILE HA H 65 4.451 4.711 -0.260 1
1 749 . 2 1 1 A 65 65 ILE CB C 65 37.638 38.664 -1.026 1
1 762 . 2 1 1 A 65 65 ILE C C 65 174.893 175.843 -0.950 1
1 763 . 2 1 1 A 66 66 ARG N N 66 130.193 125.449 4.744 1
1 764 . 2 1 1 A 66 66 ARG H H 66 9.244 8.946 0.298 1
1 765 . 2 1 1 A 66 66 ARG CA C 66 55.930 54.603 1.327 1
1 766 . 2 1 1 A 66 66 ARG HA H 66 5.440 5.267 0.173 1
1 767 . 2 1 1 A 66 66 ARG CB C 66 31.514 32.736 -1.222 1
1 778 . 2 1 1 A 66 66 ARG C C 66 174.161 174.769 -0.608 1
1 779 . 2 1 1 A 67 67 MET N N 67 128.046 122.628 5.418 1
1 780 . 2 1 1 A 67 67 MET H H 67 9.343 9.252 0.091 1
1 781 . 2 1 1 A 67 67 MET CA C 67 54.217 53.876 0.341 1
1 782 . 2 1 1 A 67 67 MET HA H 67 5.318 5.303 0.015 1
1 783 . 2 1 1 A 67 67 MET CB C 67 37.533 35.923 1.610 1
1 793 . 2 1 1 A 67 67 MET C C 67 173.432 173.817 -0.385 1
1 794 . 2 1 1 A 68 68 THR N N 68 118.404 120.309 -1.905 1
1 795 . 2 1 1 A 68 68 THR H H 68 8.474 8.559 -0.085 1
1 796 . 2 1 1 A 68 68 THR CA C 68 58.903 59.304 -0.401 1
1 797 . 2 1 1 A 68 68 THR HA H 68 3.948 4.971 -1.023 1
1 798 . 2 1 1 A 68 68 THR CB C 68 71.091 71.272 -0.181 1
1 804 . 2 1 1 A 68 68 THR C C 68 170.783 173.824 -3.041 1
1 805 . 2 1 1 A 69 69 PHE N N 69 124.029 124.581 -0.552 1
1 806 . 2 1 1 A 69 69 PHE H H 69 8.910 9.255 -0.345 1
1 807 . 2 1 1 A 69 69 PHE CA C 69 55.772 57.456 -1.684 1
1 808 . 2 1 1 A 69 69 PHE HA H 69 4.783 4.723 0.060 1
1 809 . 2 1 1 A 69 69 PHE CB C 69 39.748 39.769 -0.021 1
1 822 . 2 1 1 A 69 69 PHE C C 69 174.951 175.117 -0.166 1
1 823 . 2 1 1 A 70 70 ASP N N 70 121.457 119.731 1.726 1
1 824 . 2 1 1 A 70 70 ASP H H 70 8.841 7.332 1.509 1
1 825 . 2 1 1 A 70 70 ASP CA C 70 52.288 52.882 -0.594 1
1 826 . 2 1 1 A 70 70 ASP HA H 70 4.661 5.366 -0.705 1
1 827 . 2 1 1 A 70 70 ASP CB C 70 40.026 41.562 -1.536 1
1 830 . 2 1 1 A 70 70 ASP C C 70 177.065 175.415 1.650 1
1 831 . 2 1 1 A 71 71 THR N N 71 114.661 112.874 1.787 1
1 832 . 2 1 1 A 71 71 THR H H 71 8.724 8.508 0.216 1
1 833 . 2 1 1 A 71 71 THR CA C 71 63.824 63.133 0.691 1
1 834 . 2 1 1 A 71 71 THR HA H 71 3.181 3.955 -0.774 1
1 835 . 2 1 1 A 71 71 THR CB C 71 66.535 66.960 -0.425 1
1 841 . 2 1 1 A 71 71 THR C C 71 173.648 173.998 -0.350 1
1 842 . 2 1 1 A 72 72 TRP N N 72 111.097 113.282 -2.185 1
1 843 . 2 1 1 A 72 72 TRP H H 72 8.854 8.002 0.852 1
1 844 . 2 1 1 A 72 72 TRP CA C 72 58.910 57.846 1.064 1
1 845 . 2 1 1 A 72 72 TRP HA H 72 3.951 4.225 -0.274 1
1 846 . 2 1 1 A 72 72 TRP CB C 72 24.332 26.414 -2.082 1
1 861 . 2 1 1 A 72 72 TRP C C 72 176.875 176.265 0.610 1
1 862 . 2 1 1 A 73 73 LYS N N 73 124.701 117.330 7.371 1
1 863 . 2 1 1 A 73 73 LYS H H 73 7.785 8.316 -0.531 1
1 864 . 2 1 1 A 73 73 LYS CA C 73 60.463 56.442 4.021 1
1 865 . 2 1 1 A 73 73 LYS HA H 73 4.174 4.570 -0.396 1
1 866 . 2 1 1 A 73 73 LYS CB C 73 31.024 35.210 -4.186 1
1 878 . 2 1 1 A 73 73 LYS C C 73 177.622 176.560 1.062 1
1 879 . 2 1 1 A 74 74 SER N N 74 117.041 110.463 6.578 1
1 880 . 2 1 1 A 74 74 SER H H 74 10.002 7.752 2.250 1
1 881 . 2 1 1 A 74 74 SER CA C 74 57.539 57.560 -0.021 1
1 882 . 2 1 1 A 74 74 SER HA H 74 4.556 4.675 -0.119 1
1 883 . 2 1 1 A 74 74 SER CB C 74 66.372 65.269 1.103 1
1 886 . 2 1 1 A 74 74 SER C C 74 171.956 172.122 -0.166 1
1 887 . 2 1 1 A 75 75 TYR N N 75 113.320 122.504 -9.184 1
1 888 . 2 1 1 A 75 75 TYR H H 75 7.735 8.514 -0.779 1
1 889 . 2 1 1 A 75 75 TYR CA C 75 57.155 55.626 1.529 1
1 890 . 2 1 1 A 75 75 TYR HA H 75 5.229 5.591 -0.362 1
1 891 . 2 1 1 A 75 75 TYR CB C 75 40.745 41.541 -0.796 1
1 902 . 2 1 1 A 75 75 TYR C C 75 174.262 172.878 1.384 1
1 903 . 2 1 1 A 76 76 THR N N 76 117.158 114.928 2.230 1
1 904 . 2 1 1 A 76 76 THR H H 76 9.212 8.919 0.293 1
1 905 . 2 1 1 A 76 76 THR CA C 76 62.104 60.669 1.435 1
1 906 . 2 1 1 A 76 76 THR HA H 76 4.318 4.957 -0.639 1
1 907 . 2 1 1 A 76 76 THR CB C 76 72.675 72.140 0.535 1
1 913 . 2 1 1 A 76 76 THR C C 76 171.344 172.516 -1.172 1
1 914 . 2 1 1 A 77 77 ASP N N 77 125.875 125.664 0.211 1
1 915 . 2 1 1 A 77 77 ASP H H 77 8.569 8.586 -0.017 1
1 916 . 2 1 1 A 77 77 ASP CA C 77 52.422 53.164 -0.742 1
1 917 . 2 1 1 A 77 77 ASP HA H 77 5.865 4.811 1.054 1
1 918 . 2 1 1 A 77 77 ASP CB C 77 41.512 41.685 -0.173 1
1 921 . 2 1 1 A 77 77 ASP C C 77 175.921 175.029 0.892 1
1 922 . 2 1 1 A 78 78 PHE N N 78 125.666 121.908 3.758 1
1 923 . 2 1 1 A 78 78 PHE H H 78 9.992 8.433 1.559 1
1 924 . 2 1 1 A 78 78 PHE CA C 78 55.578 55.513 0.065 1
1 925 . 2 1 1 A 78 78 PHE HA H 78 4.943 5.012 -0.069 1
1 926 . 2 1 1 A 78 78 PHE CB C 78 40.375 40.453 -0.078 1
1 939 . 2 1 1 A 78 78 PHE C C 78 173.610 174.154 -0.544 1
1 940 . 2 1 1 A 79 79 PRO CA C 79 63.363 63.162 0.201 1
1 941 . 2 1 1 A 79 79 PRO HA H 79 4.615 4.579 0.036 1
1 942 . 2 1 1 A 79 79 PRO CB C 79 32.787 32.519 0.268 1
1 951 . 2 1 1 A 79 79 PRO C C 79 176.681 177.151 -0.470 1
1 952 . 2 1 1 A 80 80 CYS N N 80 117.289 121.734 -4.445 1
1 953 . 2 1 1 A 80 80 CYS H H 80 8.308 8.012 0.296 1
1 954 . 2 1 1 A 80 80 CYS CA C 80 57.675 59.315 -1.640 1
1 955 . 2 1 1 A 80 80 CYS HA H 80 5.242 4.837 0.405 1
1 956 . 2 1 1 A 80 80 CYS CB C 80 30.658 29.570 1.088 1
1 959 . 2 1 1 A 80 80 CYS C C 80 174.899 174.582 0.317 1
1 960 . 2 1 1 A 81 81 GLN N N 81 122.188 119.470 2.718 1
1 961 . 2 1 1 A 81 81 GLN H H 81 9.312 8.984 0.328 1
1 962 . 2 1 1 A 81 81 GLN CA C 81 54.620 54.488 0.132 1
1 963 . 2 1 1 A 81 81 GLN HA H 81 4.911 4.990 -0.079 1
1 964 . 2 1 1 A 81 81 GLN CB C 81 31.213 32.207 -0.994 1
1 973 . 2 1 1 A 81 81 GLN C C 81 175.035 174.180 0.855 1
1 974 . 2 1 1 A 82 82 TYR N N 82 125.814 123.314 2.500 1
1 975 . 2 1 1 A 82 82 TYR H H 82 8.919 8.952 -0.033 1
1 976 . 2 1 1 A 82 82 TYR CA C 82 58.764 56.043 2.721 1
1 977 . 2 1 1 A 82 82 TYR HA H 82 3.403 5.374 -1.971 1
1 978 . 2 1 1 A 82 82 TYR CB C 82 38.346 41.673 -3.327 1
1 989 . 2 1 1 A 82 82 TYR C C 82 175.413 173.837 1.576 1
1 990 . 2 1 1 A 83 83 VAL N N 83 129.316 127.085 2.231 1
1 991 . 2 1 1 A 83 83 VAL H H 83 7.782 8.394 -0.612 1
1 992 . 2 1 1 A 83 83 VAL CA C 83 61.693 61.573 0.120 1
1 993 . 2 1 1 A 83 83 VAL HA H 83 3.758 4.247 -0.489 1
1 994 . 2 1 1 A 83 83 VAL CB C 83 32.564 32.495 0.069 1
1 1004 . 2 1 1 A 83 83 VAL C C 83 173.771 176.288 -2.517 1
1 1005 . 2 1 1 A 84 84 LYS N N 84 126.665 120.899 5.766 1
1 1006 . 2 1 1 A 84 84 LYS H H 84 8.174 8.270 -0.096 1
1 1007 . 2 1 1 A 84 84 LYS CA C 84 56.144 55.103 1.041 1
1 1008 . 2 1 1 A 84 84 LYS HA H 84 4.016 4.351 -0.335 1
1 1009 . 2 1 1 A 84 84 LYS CB C 84 32.170 32.129 0.041 1
1 1021 . 2 1 1 A 84 84 LYS C C 84 175.610 175.676 -0.066 1
1 1022 . 2 1 1 A 85 85 ASP N N 85 124.262 121.426 2.836 1
1 1023 . 2 1 1 A 85 85 ASP H H 85 7.864 7.528 0.336 1
1 1024 . 2 1 1 A 85 85 ASP CA C 85 53.349 53.017 0.332 1
1 1025 . 2 1 1 A 85 85 ASP HA H 85 4.678 4.728 -0.050 1
1 1026 . 2 1 1 A 85 85 ASP CB C 85 41.683 42.380 -0.697 1
1 1029 . 2 1 1 A 85 85 ASP C C 85 176.841 176.742 0.099 1
1 1030 . 2 1 1 A 86 86 THR N N 86 113.656 117.859 -4.203 1
1 1031 . 2 1 1 A 86 86 THR H H 86 8.065 8.824 -0.759 1
1 1032 . 2 1 1 A 86 86 THR CA C 86 63.274 66.106 -2.832 1
1 1033 . 2 1 1 A 86 86 THR HA H 86 4.086 3.771 0.315 1
1 1034 . 2 1 1 A 86 86 THR CB C 86 69.257 68.441 0.816 1
1 1040 . 2 1 1 A 86 86 THR C C 86 174.589 175.398 -0.809 1
1 1041 . 2 1 1 A 87 87 TYR N N 87 120.837 118.318 2.519 1
1 1042 . 2 1 1 A 87 87 TYR H H 87 8.064 7.749 0.315 1
1 1043 . 2 1 1 A 87 87 TYR CA C 87 58.054 56.345 1.709 1
1 1044 . 2 1 1 A 87 87 TYR HA H 87 4.527 4.660 -0.133 1
1 1045 . 2 1 1 A 87 87 TYR CB C 87 38.297 36.194 2.103 1
1 1056 . 2 1 1 A 87 87 TYR C C 87 175.590 174.623 0.967 1
1 1057 . 2 1 1 A 88 88 ALA N N 88 125.226 122.737 2.489 1
1 1058 . 2 1 1 A 88 88 ALA H H 88 7.963 7.545 0.418 1
1 1059 . 2 1 1 A 88 88 ALA CA C 88 53.104 50.328 2.776 1
1 1060 . 2 1 1 A 88 88 ALA HA H 88 4.389 4.994 -0.605 1
1 1061 . 2 1 1 A 88 88 ALA CB C 88 19.127 22.360 -3.233 1
1 1065 . 2 1 1 A 88 88 ALA C C 88 178.497 176.781 1.716 1
1 1066 . 2 1 1 A 89 89 GLY N N 89 109.029 111.288 -2.259 1
1 1067 . 2 1 1 A 89 89 GLY H H 89 8.479 8.678 -0.199 1
1 1068 . 2 1 1 A 89 89 GLY CA C 89 45.426 44.624 0.802 1
1 1069 . 2 1 1 A 89 89 GLY HA2 H 89 3.952 4.101 -0.149 1
1 1070 . 2 1 1 A 89 89 GLY HA3 H 89 4.079 4.110 -0.031 1
1 1071 . 2 1 1 A 89 89 GLY C C 89 174.563 174.957 -0.394 1
1 1072 . 2 1 1 A 90 90 SER N N 90 115.638 115.335 0.303 1
1 1073 . 2 1 1 A 90 90 SER H H 90 8.232 8.714 -0.482 1
1 1074 . 2 1 1 A 90 90 SER CA C 90 58.443 60.384 -1.941 1
1 1075 . 2 1 1 A 90 90 SER HA H 90 4.574 4.562 0.012 1
1 1076 . 2 1 1 A 90 90 SER CB C 90 63.865 64.062 -0.197 1
1 1079 . 2 1 1 A 90 90 SER C C 90 174.212 176.456 -2.244 1
1 1080 . 2 1 1 A 91 91 ASP N N 91 120.185 121.474 -1.289 1
1 1081 . 2 1 1 A 91 91 ASP H H 91 8.691 8.470 0.221 1
1 1082 . 2 1 1 A 91 91 ASP CA C 91 55.012 57.721 -2.709 1
1 1083 . 2 1 1 A 91 91 ASP HA H 91 4.684 4.400 0.284 1
1 1084 . 2 1 1 A 91 91 ASP CB C 91 40.643 40.645 -0.002 1
1 1087 . 2 1 1 A 91 91 ASP C C 91 176.350 177.231 -0.881 1
1 1088 . 2 1 1 A 92 92 ARG N N 92 119.690 118.313 1.377 1
1 1089 . 2 1 1 A 92 92 ARG H H 92 8.072 7.925 0.147 1
1 1090 . 2 1 1 A 92 92 ARG CA C 92 54.941 55.512 -0.571 1
1 1091 . 2 1 1 A 92 92 ARG HA H 92 5.022 4.502 0.520 1
1 1092 . 2 1 1 A 92 92 ARG CB C 92 32.816 30.525 2.291 1
1 1101 . 2 1 1 A 92 92 ARG C C 92 174.072 174.960 -0.888 1
1 1102 . 2 1 1 A 93 93 ASP N N 93 119.716 124.787 -5.071 1
1 1103 . 2 1 1 A 93 93 ASP H H 93 8.550 8.699 -0.149 1
1 1104 . 2 1 1 A 93 93 ASP CA C 93 53.411 53.946 -0.535 1
1 1105 . 2 1 1 A 93 93 ASP HA H 93 5.108 4.809 0.299 1
1 1106 . 2 1 1 A 93 93 ASP CB C 93 46.005 41.420 4.585 1
1 1109 . 2 1 1 A 93 93 ASP C C 93 174.776 175.704 -0.928 1
1 1110 . 2 1 1 A 94 94 THR N N 94 116.481 118.276 -1.795 1
1 1111 . 2 1 1 A 94 94 THR H H 94 8.932 8.657 0.275 1
1 1112 . 2 1 1 A 94 94 THR CA C 94 62.287 61.865 0.422 1
1 1113 . 2 1 1 A 94 94 THR HA H 94 5.232 4.802 0.430 1
1 1114 . 2 1 1 A 94 94 THR CB C 94 70.008 69.240 0.768 1
1 1120 . 2 1 1 A 94 94 THR C C 94 171.982 174.100 -2.118 1
1 1121 . 2 1 1 A 95 95 PHE N N 95 124.488 127.580 -3.092 1
1 1122 . 2 1 1 A 95 95 PHE H H 95 9.347 9.079 0.268 1
1 1123 . 2 1 1 A 95 95 PHE CA C 95 55.834 57.185 -1.351 1
1 1124 . 2 1 1 A 95 95 PHE HA H 95 5.321 5.316 0.005 1
1 1125 . 2 1 1 A 95 95 PHE CB C 95 43.478 41.002 2.476 1
1 1138 . 2 1 1 A 95 95 PHE C C 95 174.780 175.295 -0.515 1
1 1139 . 2 1 1 A 96 96 SER N N 96 117.417 119.310 -1.893 1
1 1140 . 2 1 1 A 96 96 SER H H 96 10.108 8.955 1.153 1
1 1141 . 2 1 1 A 96 96 SER CA C 96 56.388 56.758 -0.370 1
1 1142 . 2 1 1 A 96 96 SER HA H 96 5.575 5.196 0.379 1
1 1143 . 2 1 1 A 96 96 SER CB C 96 67.188 64.576 2.612 1
1 1146 . 2 1 1 A 96 96 SER C C 96 173.079 173.571 -0.492 1
1 1147 . 2 1 1 A 97 97 PHE N N 97 114.813 119.181 -4.368 1
1 1148 . 2 1 1 A 97 97 PHE H H 97 7.991 8.515 -0.524 1
1 1149 . 2 1 1 A 97 97 PHE CA C 97 56.003 55.212 0.791 1
1 1150 . 2 1 1 A 97 97 PHE HA H 97 5.249 5.636 -0.387 1
1 1151 . 2 1 1 A 97 97 PHE CB C 97 42.008 42.776 -0.768 1
1 1164 . 2 1 1 A 97 97 PHE C C 97 174.316 172.978 1.338 1
1 1165 . 2 1 1 A 98 98 ASP N N 98 121.809 118.636 3.173 1
1 1166 . 2 1 1 A 98 98 ASP H H 98 8.297 9.006 -0.709 1
1 1167 . 2 1 1 A 98 98 ASP CA C 98 54.789 52.812 1.977 1
1 1168 . 2 1 1 A 98 98 ASP HA H 98 5.006 5.520 -0.514 1
1 1169 . 2 1 1 A 98 98 ASP CB C 98 42.282 42.359 -0.077 1
1 1172 . 2 1 1 A 98 98 ASP C C 98 174.959 174.337 0.622 1
1 1173 . 2 1 1 A 99 99 ILE N N 99 126.714 126.190 0.524 1
1 1174 . 2 1 1 A 99 99 ILE H H 99 9.331 8.896 0.435 1
1 1175 . 2 1 1 A 99 99 ILE CA C 99 60.455 60.249 0.206 1
1 1176 . 2 1 1 A 99 99 ILE HA H 99 4.016 4.486 -0.470 1
1 1177 . 2 1 1 A 99 99 ILE CB C 99 42.110 39.709 2.401 1
1 1190 . 2 1 1 A 99 99 ILE C C 99 175.019 175.202 -0.183 1
1 1191 . 2 1 1 A 100 100 SER N N 100 122.590 121.272 1.318 1
1 1192 . 2 1 1 A 100 100 SER H H 100 8.345 8.569 -0.224 1
1 1193 . 2 1 1 A 100 100 SER CA C 100 58.848 56.580 2.268 1
1 1194 . 2 1 1 A 100 100 SER HA H 100 4.527 5.063 -0.536 1
1 1195 . 2 1 1 A 100 100 SER CB C 100 63.482 64.163 -0.681 1
1 1198 . 2 1 1 A 100 100 SER C C 100 173.557 174.051 -0.494 1
1 1199 . 2 1 1 A 101 101 LEU N N 101 124.776 126.550 -1.774 1
1 1200 . 2 1 1 A 101 101 LEU H H 101 8.277 8.898 -0.621 1
1 1201 . 2 1 1 A 101 101 LEU CA C 101 52.430 53.571 -1.141 1
1 1202 . 2 1 1 A 101 101 LEU HA H 101 4.375 4.532 -0.157 1
1 1203 . 2 1 1 A 101 101 LEU CB C 101 40.427 40.917 -0.490 1
1 1216 . 2 1 1 A 101 101 LEU C C 101 174.363 174.572 -0.209 1
1 1217 . 2 1 1 A 102 102 PRO CA C 102 62.488 62.424 0.064 1
1 1218 . 2 1 1 A 102 102 PRO HA H 102 4.259 4.394 -0.135 1
1 1219 . 2 1 1 A 102 102 PRO CB C 102 32.073 32.419 -0.346 1
1 1228 . 2 1 1 A 102 102 PRO C C 102 175.687 177.774 -2.087 1
1 1229 . 2 1 1 A 103 103 GLU N N 103 118.843 121.446 -2.603 1
1 1230 . 2 1 1 A 103 103 GLU H H 103 8.286 8.724 -0.438 1
1 1231 . 2 1 1 A 103 103 GLU CA C 103 58.131 59.066 -0.935 1
1 1232 . 2 1 1 A 103 103 GLU HA H 103 4.013 4.063 -0.050 1
1 1233 . 2 1 1 A 103 103 GLU CB C 103 30.344 29.449 0.895 1
1 1239 . 2 1 1 A 103 103 GLU C C 103 176.869 175.905 0.964 1
1 1240 . 2 1 1 A 104 104 LYS N N 104 116.544 117.606 -1.062 1
1 1241 . 2 1 1 A 104 104 LYS H H 104 7.869 7.660 0.209 1
1 1242 . 2 1 1 A 104 104 LYS CA C 104 55.314 54.939 0.375 1
1 1243 . 2 1 1 A 104 104 LYS HA H 104 4.474 5.015 -0.541 1
1 1244 . 2 1 1 A 104 104 LYS CB C 104 33.428 36.847 -3.419 1
1 1256 . 2 1 1 A 104 104 LYS C C 104 175.231 175.069 0.162 1
1 1257 . 2 1 1 A 105 105 ILE N N 105 122.507 120.845 1.662 1
1 1258 . 2 1 1 A 105 105 ILE H H 105 8.236 8.648 -0.412 1
1 1259 . 2 1 1 A 105 105 ILE CA C 105 60.636 60.879 -0.243 1
1 1260 . 2 1 1 A 105 105 ILE HA H 105 4.190 4.887 -0.697 1
1 1261 . 2 1 1 A 105 105 ILE CB C 105 39.685 41.082 -1.397 1
1 1274 . 2 1 1 A 105 105 ILE C C 105 176.091 175.384 0.707 1
1 1275 . 2 1 1 A 106 106 GLN N N 106 124.467 127.913 -3.446 1
1 1276 . 2 1 1 A 106 106 GLN H H 106 8.752 9.196 -0.444 1
1 1277 . 2 1 1 A 106 106 GLN CA C 106 56.244 55.638 0.606 1
1 1278 . 2 1 1 A 106 106 GLN HA H 106 4.243 4.666 -0.423 1
1 1279 . 2 1 1 A 106 106 GLN CB C 106 28.717 28.664 0.053 1
1 1288 . 2 1 1 A 106 106 GLN C C 106 177.593 174.854 2.739 1
1 1289 . 2 1 1 A 107 107 SER N N 107 116.963 112.053 4.910 1
1 1290 . 2 1 1 A 107 107 SER H H 107 8.623 8.281 0.342 1
1 1291 . 2 1 1 A 107 107 SER CA C 107 60.530 59.270 1.260 1
1 1292 . 2 1 1 A 107 107 SER HA H 107 4.152 4.214 -0.062 1
1 1293 . 2 1 1 A 107 107 SER CB C 107 63.187 61.721 1.466 1
1 1296 . 2 1 1 A 107 107 SER C C 107 174.222 173.683 0.539 1
1 1297 . 2 1 1 A 108 108 TYR N N 108 116.323 116.587 -0.264 1
1 1298 . 2 1 1 A 108 108 TYR H H 108 7.330 8.406 -1.076 1
1 1299 . 2 1 1 A 108 108 TYR CA C 108 56.727 57.559 -0.832 1
1 1300 . 2 1 1 A 108 108 TYR HA H 108 4.655 4.652 0.003 1
1 1301 . 2 1 1 A 108 108 TYR CB C 108 37.491 39.806 -2.315 1
1 1312 . 2 1 1 A 108 108 TYR C C 108 175.768 175.024 0.744 1
1 1313 . 2 1 1 A 109 109 GLU N N 109 120.523 118.588 1.935 1
1 1314 . 2 1 1 A 109 109 GLU H H 109 7.587 7.182 0.405 1
1 1315 . 2 1 1 A 109 109 GLU CA C 109 55.573 54.489 1.084 1
1 1316 . 2 1 1 A 109 109 GLU HA H 109 4.582 4.666 -0.084 1
1 1317 . 2 1 1 A 109 109 GLU CB C 109 31.360 31.936 -0.576 1
1 1323 . 2 1 1 A 109 109 GLU C C 109 176.013 175.097 0.916 1
1 1324 . 2 1 1 A 110 110 ARG N N 110 118.559 125.270 -6.711 1
1 1325 . 2 1 1 A 110 110 ARG H H 110 8.441 8.613 -0.172 1
1 1326 . 2 1 1 A 110 110 ARG CA C 110 55.667 57.014 -1.347 1
1 1327 . 2 1 1 A 110 110 ARG HA H 110 4.786 4.278 0.508 1
1 1328 . 2 1 1 A 110 110 ARG CB C 110 32.404 31.119 1.285 1
1 1339 . 2 1 1 A 110 110 ARG C C 110 174.387 174.588 -0.201 1
1 1340 . 2 1 1 A 111 111 MET N N 111 122.471 124.638 -2.167 1
1 1341 . 2 1 1 A 111 111 MET H H 111 8.665 8.556 0.109 1
1 1342 . 2 1 1 A 111 111 MET CA C 111 54.151 54.114 0.037 1
1 1343 . 2 1 1 A 111 111 MET HA H 111 5.167 5.097 0.070 1
1 1344 . 2 1 1 A 111 111 MET CB C 111 35.735 35.386 0.349 1
1 1354 . 2 1 1 A 111 111 MET C C 111 174.924 174.461 0.463 1
1 1355 . 2 1 1 A 112 112 GLU N N 112 119.500 125.574 -6.074 1
1 1356 . 2 1 1 A 112 112 GLU H H 112 7.951 8.188 -0.237 1
1 1357 . 2 1 1 A 112 112 GLU CA C 112 53.909 54.684 -0.775 1
1 1358 . 2 1 1 A 112 112 GLU HA H 112 5.662 5.190 0.472 1
1 1359 . 2 1 1 A 112 112 GLU CB C 112 35.198 34.179 1.019 1
1 1365 . 2 1 1 A 112 112 GLU C C 112 174.483 174.961 -0.478 1
1 1366 . 2 1 1 A 113 113 PHE N N 113 115.033 117.539 -2.506 1
1 1367 . 2 1 1 A 113 113 PHE H H 113 9.278 8.797 0.481 1
1 1368 . 2 1 1 A 113 113 PHE CA C 113 55.857 56.166 -0.309 1
1 1369 . 2 1 1 A 113 113 PHE HA H 113 6.262 5.524 0.738 1
1 1370 . 2 1 1 A 113 113 PHE CB C 113 43.656 42.251 1.405 1
1 1383 . 2 1 1 A 113 113 PHE C C 113 172.253 172.431 -0.178 1
1 1384 . 2 1 1 A 114 114 ALA N N 114 121.461 122.382 -0.921 1
1 1385 . 2 1 1 A 114 114 ALA H H 114 9.475 8.989 0.486 1
1 1386 . 2 1 1 A 114 114 ALA CA C 114 50.860 50.344 0.516 1
1 1387 . 2 1 1 A 114 114 ALA HA H 114 5.026 5.337 -0.311 1
1 1388 . 2 1 1 A 114 114 ALA CB C 114 23.129 22.759 0.370 1
1 1392 . 2 1 1 A 114 114 ALA C C 114 174.903 176.042 -1.139 1
1 1393 . 2 1 1 A 115 115 VAL N N 115 120.899 121.306 -0.407 1
1 1394 . 2 1 1 A 115 115 VAL H H 115 8.928 8.647 0.281 1
1 1395 . 2 1 1 A 115 115 VAL CA C 115 61.379 62.606 -1.227 1
1 1396 . 2 1 1 A 115 115 VAL HA H 115 4.798 4.471 0.327 1
1 1397 . 2 1 1 A 115 115 VAL CB C 115 34.712 31.974 2.738 1
1 1407 . 2 1 1 A 115 115 VAL C C 115 174.444 174.470 -0.026 1
1 1408 . 2 1 1 A 116 116 TYR N N 116 123.426 128.393 -4.967 1
1 1409 . 2 1 1 A 116 116 TYR H H 116 8.963 8.463 0.500 1
1 1410 . 2 1 1 A 116 116 TYR CA C 116 55.480 54.958 0.522 1
1 1411 . 2 1 1 A 116 116 TYR HA H 116 5.081 4.949 0.132 1
1 1412 . 2 1 1 A 116 116 TYR CB C 116 38.928 40.016 -1.088 1
1 1423 . 2 1 1 A 116 116 TYR C C 116 172.208 173.388 -1.180 1
1 1424 . 2 1 1 A 117 117 TYR N N 117 123.249 130.165 -6.916 1
1 1425 . 2 1 1 A 117 117 TYR H H 117 8.858 8.703 0.155 1
1 1426 . 2 1 1 A 117 117 TYR CA C 117 52.371 56.381 -4.010 1
1 1427 . 2 1 1 A 117 117 TYR HA H 117 5.528 4.725 0.803 1
1 1428 . 2 1 1 A 117 117 TYR CB C 117 41.509 40.480 1.029 1
1 1439 . 2 1 1 A 117 117 TYR C C 117 173.159 173.462 -0.303 1
1 1440 . 2 1 1 A 118 118 GLU N N 118 127.681 128.078 -0.397 1
1 1441 . 2 1 1 A 118 118 GLU H H 118 9.368 8.451 0.917 1
1 1442 . 2 1 1 A 118 118 GLU CA C 118 54.179 55.238 -1.059 1
1 1443 . 2 1 1 A 118 118 GLU HA H 118 5.085 4.583 0.502 1
1 1444 . 2 1 1 A 118 118 GLU CB C 118 32.099 30.651 1.448 1
1 1450 . 2 1 1 A 118 118 GLU C C 118 175.565 174.789 0.776 1
1 1451 . 2 1 1 A 119 119 CYS N N 119 122.152 123.644 -1.492 1
1 1452 . 2 1 1 A 119 119 CYS H H 119 8.323 8.109 0.214 1
1 1453 . 2 1 1 A 119 119 CYS CA C 119 58.248 57.857 0.391 1
1 1454 . 2 1 1 A 119 119 CYS HA H 119 4.479 4.520 -0.041 1
1 1455 . 2 1 1 A 119 119 CYS CB C 119 29.065 30.692 -1.627 1
1 1458 . 2 1 1 A 119 119 CYS C C 119 174.586 172.980 1.606 1
1 1459 . 2 1 1 A 120 120 ASN N N 120 126.917 124.457 2.460 1
1 1460 . 2 1 1 A 120 120 ASN H H 120 9.858 9.138 0.720 1
1 1461 . 2 1 1 A 120 120 ASN CA C 120 53.735 54.354 -0.619 1
1 1462 . 2 1 1 A 120 120 ASN HA H 120 4.342 4.326 0.016 1
1 1463 . 2 1 1 A 120 120 ASN CB C 120 37.873 37.353 0.520 1
1 1469 . 2 1 1 A 120 120 ASN C C 120 174.943 175.378 -0.435 1
1 1470 . 2 1 1 A 121 121 GLY N N 121 104.866 103.789 1.077 1
1 1471 . 2 1 1 A 121 121 GLY H H 121 8.776 8.542 0.234 1
1 1472 . 2 1 1 A 121 121 GLY CA C 121 45.586 46.405 -0.819 1
1 1473 . 2 1 1 A 121 121 GLY HA2 H 121 4.041 3.828 0.213 1
1 1474 . 2 1 1 A 121 121 GLY HA3 H 121 3.553 3.843 -0.290 1
1 1475 . 2 1 1 A 121 121 GLY C C 121 173.804 173.617 0.187 1
1 1476 . 2 1 1 A 122 122 GLN N N 122 119.988 118.565 1.423 1
1 1477 . 2 1 1 A 122 122 GLN H H 122 7.677 7.874 -0.197 1
1 1478 . 2 1 1 A 122 122 GLN CA C 122 53.624 53.387 0.237 1
1 1479 . 2 1 1 A 122 122 GLN HA H 122 4.395 4.763 -0.368 1
1 1480 . 2 1 1 A 122 122 GLN CB C 122 31.456 32.525 -1.069 1
1 1489 . 2 1 1 A 122 122 GLN C C 122 174.029 173.875 0.154 1
1 1490 . 2 1 1 A 123 123 THR N N 123 116.337 115.192 1.145 1
1 1491 . 2 1 1 A 123 123 THR H H 123 7.990 8.240 -0.250 1
1 1492 . 2 1 1 A 123 123 THR CA C 123 61.935 60.763 1.172 1
1 1493 . 2 1 1 A 123 123 THR HA H 123 4.620 4.794 -0.174 1
1 1494 . 2 1 1 A 123 123 THR CB C 123 70.005 70.974 -0.969 1
1 1500 . 2 1 1 A 123 123 THR C C 123 172.596 173.149 -0.553 1
1 1501 . 2 1 1 A 124 124 TYR N N 124 128.915 124.368 4.547 1
1 1502 . 2 1 1 A 124 124 TYR H H 124 9.416 8.525 0.891 1
1 1503 . 2 1 1 A 124 124 TYR CA C 124 56.388 56.022 0.366 1
1 1504 . 2 1 1 A 124 124 TYR HA H 124 4.962 5.325 -0.363 1
1 1505 . 2 1 1 A 124 124 TYR CB C 124 40.688 41.141 -0.453 1
1 1516 . 2 1 1 A 124 124 TYR C C 124 174.284 174.593 -0.309 1
1 1517 . 2 1 1 A 125 125 TRP N N 125 119.850 123.040 -3.190 1
1 1518 . 2 1 1 A 125 125 TRP H H 125 8.738 9.087 -0.349 1
1 1519 . 2 1 1 A 125 125 TRP CA C 125 56.940 55.389 1.551 1
1 1520 . 2 1 1 A 125 125 TRP HA H 125 5.388 5.647 -0.259 1
1 1521 . 2 1 1 A 125 125 TRP CB C 125 33.031 32.459 0.572 1
1 1536 . 2 1 1 A 125 125 TRP C C 125 176.973 174.898 2.075 1
1 1537 . 2 1 1 A 126 126 ASP N N 126 118.759 124.889 -6.130 1
1 1538 . 2 1 1 A 126 126 ASP H H 126 9.436 9.012 0.424 1
1 1539 . 2 1 1 A 126 126 ASP CA C 126 53.968 53.152 0.816 1
1 1540 . 2 1 1 A 126 126 ASP HA H 126 5.213 5.250 -0.037 1
1 1541 . 2 1 1 A 126 126 ASP CB C 126 42.641 42.811 -0.170 1
1 1544 . 2 1 1 A 126 126 ASP C C 126 176.043 174.388 1.655 1
1 1545 . 2 1 1 A 127 127 SER N N 127 119.074 119.711 -0.637 1
1 1546 . 2 1 1 A 127 127 SER H H 127 8.520 8.657 -0.137 1
1 1547 . 2 1 1 A 127 127 SER CA C 127 55.118 56.395 -1.277 1
1 1548 . 2 1 1 A 127 127 SER HA H 127 4.811 5.166 -0.355 1
1 1549 . 2 1 1 A 127 127 SER CB C 127 63.866 65.069 -1.203 1
1 1552 . 2 1 1 A 127 127 SER C C 127 175.840 173.143 2.697 1
1 1553 . 2 1 1 A 128 128 ASN N N 128 124.865 119.402 5.463 1
1 1554 . 2 1 1 A 128 128 ASN H H 128 9.242 8.546 0.696 1
1 1555 . 2 1 1 A 128 128 ASN CA C 128 53.224 54.015 -0.791 1
1 1556 . 2 1 1 A 128 128 ASN HA H 128 4.071 3.829 0.242 1
1 1557 . 2 1 1 A 128 128 ASN CB C 128 34.281 36.298 -2.017 1
1 1563 . 2 1 1 A 128 128 ASN C C 128 176.607 174.315 2.292 1
1 1564 . 2 1 1 A 129 129 ARG N N 129 114.718 110.462 4.256 1
1 1565 . 2 1 1 A 129 129 ARG H H 129 9.475 8.308 1.167 1
1 1566 . 2 1 1 A 129 129 ARG CA C 129 56.798 57.099 -0.301 1
1 1567 . 2 1 1 A 129 129 ARG HA H 129 3.774 3.802 -0.028 1
1 1568 . 2 1 1 A 129 129 ARG CB C 129 27.145 27.681 -0.536 1
1 1579 . 2 1 1 A 129 129 ARG C C 129 176.132 175.753 0.379 1
1 1580 . 2 1 1 A 130 130 GLY N N 130 106.337 106.030 0.307 1
1 1581 . 2 1 1 A 130 130 GLY H H 130 7.568 7.887 -0.319 1
1 1582 . 2 1 1 A 130 130 GLY CA C 130 44.896 46.114 -1.218 1
1 1583 . 2 1 1 A 130 130 GLY HA2 H 130 4.103 4.055 0.048 1
1 1584 . 2 1 1 A 130 130 GLY HA3 H 130 3.425 4.073 -0.648 1
1 1585 . 2 1 1 A 130 130 GLY C C 130 174.521 174.032 0.489 1
1 1586 . 2 1 1 A 131 131 LYS N N 131 119.902 123.740 -3.838 1
1 1587 . 2 1 1 A 131 131 LYS H H 131 7.278 8.071 -0.793 1
1 1588 . 2 1 1 A 131 131 LYS CA C 131 57.336 58.064 -0.728 1
1 1589 . 2 1 1 A 131 131 LYS HA H 131 4.132 4.167 -0.035 1
1 1590 . 2 1 1 A 131 131 LYS CB C 131 33.719 32.607 1.112 1
1 1602 . 2 1 1 A 131 131 LYS C C 131 177.813 176.511 1.302 1
1 1603 . 2 1 1 A 132 132 ASN N N 132 107.489 111.876 -4.387 1
1 1604 . 2 1 1 A 132 132 ASN H H 132 8.268 7.671 0.597 1
1 1605 . 2 1 1 A 132 132 ASN CA C 132 54.717 52.040 2.677 1
1 1606 . 2 1 1 A 132 132 ASN HA H 132 3.691 4.833 -1.142 1
1 1607 . 2 1 1 A 132 132 ASN CB C 132 39.462 40.809 -1.347 1
1 1613 . 2 1 1 A 132 132 ASN C C 132 172.611 173.166 -0.555 1
1 1614 . 2 1 1 A 133 133 TYR N N 133 120.541 120.852 -0.311 1
1 1615 . 2 1 1 A 133 133 TYR H H 133 8.696 8.399 0.297 1
1 1616 . 2 1 1 A 133 133 TYR CA C 133 58.334 58.487 -0.153 1
1 1617 . 2 1 1 A 133 133 TYR HA H 133 3.879 4.239 -0.360 1
1 1618 . 2 1 1 A 133 133 TYR CB C 133 35.955 37.680 -1.725 1
1 1627 . 2 1 1 A 133 133 TYR C C 133 175.026 175.110 -0.084 1
1 1628 . 2 1 1 A 134 134 ARG N N 134 123.205 126.108 -2.903 1
1 1629 . 2 1 1 A 134 134 ARG H H 134 8.584 8.853 -0.269 1
1 1630 . 2 1 1 A 134 134 ARG CA C 134 56.025 55.760 0.265 1
1 1631 . 2 1 1 A 134 134 ARG HA H 134 5.043 4.880 0.163 1
1 1632 . 2 1 1 A 134 134 ARG CB C 134 32.734 31.543 1.191 1
1 1643 . 2 1 1 A 134 134 ARG C C 134 174.511 175.329 -0.818 1
1 1644 . 2 1 1 A 135 135 ILE N N 135 124.430 129.018 -4.588 1
1 1645 . 2 1 1 A 135 135 ILE H H 135 8.429 8.663 -0.234 1
1 1646 . 2 1 1 A 135 135 ILE CA C 135 61.078 59.980 1.098 1
1 1647 . 2 1 1 A 135 135 ILE HA H 135 4.797 4.942 -0.145 1
1 1648 . 2 1 1 A 135 135 ILE CB C 135 39.875 38.878 0.997 1
1 1661 . 2 1 1 A 135 135 ILE C C 135 175.279 175.926 -0.647 1
1 1662 . 2 1 1 A 136 136 ILE N N 136 120.496 123.326 -2.830 1
1 1663 . 2 1 1 A 136 136 ILE H H 136 9.000 8.588 0.412 1
1 1664 . 2 1 1 A 136 136 ILE CA C 136 59.359 59.162 0.197 1
1 1665 . 2 1 1 A 136 136 ILE HA H 136 5.028 5.205 -0.177 1
1 1666 . 2 1 1 A 136 136 ILE CB C 136 42.170 41.055 1.115 1
1 1679 . 2 1 1 A 136 136 ILE C C 136 175.144 175.341 -0.197 1
1 1680 . 2 1 1 A 137 137 ARG N N 137 122.183 124.304 -2.121 1
1 1681 . 2 1 1 A 137 137 ARG H H 137 8.535 8.564 -0.029 1
1 1682 . 2 1 1 A 137 137 ARG CA C 137 56.339 55.552 0.787 1
1 1683 . 2 1 1 A 137 137 ARG HA H 137 4.402 4.104 0.298 1
1 1684 . 2 1 1 A 137 137 ARG CB C 137 30.696 30.878 -0.182 1
1 1695 . 2 1 1 A 137 137 ARG C C 137 176.646 177.317 -0.671 1
1 1696 . 2 1 1 A 138 138 ALA N N 138 126.694 127.074 -0.380 1
1 1697 . 2 1 1 A 138 138 ALA H H 138 8.353 8.567 -0.214 1
1 1698 . 2 1 1 A 138 138 ALA CA C 138 52.808 55.070 -2.262 1
1 1699 . 2 1 1 A 138 138 ALA HA H 138 4.134 3.929 0.205 1
1 1700 . 2 1 1 A 138 138 ALA CB C 138 19.536 17.960 1.576 1
1 1704 . 2 1 1 A 138 138 ALA C C 138 177.637 179.961 -2.324 1
1 1705 . 2 1 1 A 139 139 GLU N N 139 119.890 114.032 5.858 1
1 1706 . 2 1 1 A 139 139 GLU H H 139 8.615 8.403 0.212 1
1 1707 . 2 1 1 A 139 139 GLU CA C 139 56.586 58.398 -1.812 1
1 1708 . 2 1 1 A 139 139 GLU HA H 139 4.268 4.118 0.150 1
1 1709 . 2 1 1 A 139 139 GLU CB C 139 30.137 28.996 1.141 1
1 1715 . 2 1 1 A 139 139 GLU C C 139 176.488 176.358 0.130 1
1 1716 . 2 1 1 A 140 140 LEU N N 140 123.350 119.807 3.543 1
1 1717 . 2 1 1 A 140 140 LEU H H 140 8.224 7.704 0.520 1
1 1718 . 2 1 1 A 140 140 LEU CA C 140 55.185 53.274 1.911 1
1 1719 . 2 1 1 A 140 140 LEU HA H 140 4.339 4.850 -0.511 1
1 1720 . 2 1 1 A 140 140 LEU CB C 140 42.294 44.818 -2.524 1
1 1733 . 2 1 1 A 140 140 LEU C C 140 177.456 175.683 1.773 1
1 1734 . 2 1 1 A 141 141 LYS N N 141 122.155 123.428 -1.273 1
1 1735 . 2 1 1 A 141 141 LYS H H 141 8.239 8.774 -0.535 1
1 1736 . 2 1 1 A 141 141 LYS CA C 141 56.480 56.160 0.320 1
1 1737 . 2 1 1 A 141 141 LYS HA H 141 4.309 4.465 -0.156 1
1 1738 . 2 1 1 A 141 141 LYS CB C 141 32.976 35.307 -2.331 1
1 1750 . 2 1 1 A 141 141 LYS C C 141 176.734 175.561 1.173 1
1 1751 . 2 1 1 A 142 142 SER N N 142 116.816 122.383 -5.567 1
1 1752 . 2 1 1 A 142 142 SER H H 142 8.369 8.173 0.196 1
1 1753 . 2 1 1 A 142 142 SER CA C 142 58.425 59.076 -0.651 1
1 1754 . 2 1 1 A 142 142 SER HA H 142 4.529 4.191 0.338 1
1 1755 . 2 1 1 A 142 142 SER CB C 142 63.836 61.053 2.783 1
1 1758 . 2 1 1 A 142 142 SER C C 142 175.185 174.595 0.590 1
1 1759 . 2 1 1 A 143 143 THR N N 143 115.566 116.030 -0.464 1
1 1760 . 2 1 1 A 143 143 THR H H 143 8.235 7.826 0.409 1
1 1761 . 2 1 1 A 143 143 THR CA C 143 61.999 64.499 -2.500 1
1 1762 . 2 1 1 A 143 143 THR HA H 143 4.389 4.222 0.167 1
1 1763 . 2 1 1 A 143 143 THR CB C 143 69.634 70.013 -0.379 1
1 1769 . 2 1 1 A 143 143 THR C C 143 174.937 173.990 0.947 1
1 1770 . 2 1 1 A 144 144 GLN N N 144 122.469 120.147 2.322 1
1 1771 . 2 1 1 A 144 144 GLN H H 144 8.345 7.754 0.591 1
1 1772 . 2 1 1 A 144 144 GLN CA C 144 56.480 54.056 2.424 1
1 1773 . 2 1 1 A 144 144 GLN HA H 144 4.307 4.742 -0.435 1
1 1774 . 2 1 1 A 144 144 GLN CB C 144 29.307 31.660 -2.353 1
1 1783 . 2 1 1 A 144 144 GLN C C 144 176.536 175.220 1.316 1
1 1784 . 2 1 1 A 145 145 GLY N N 145 110.021 113.307 -3.286 1
1 1785 . 2 1 1 A 145 145 GLY H H 145 8.461 8.598 -0.137 1
1 1786 . 2 1 1 A 145 145 GLY CA C 145 45.355 45.148 0.207 1
1 1787 . 2 1 1 A 145 145 GLY HA2 H 145 3.967 4.073 -0.106 1
1 1788 . 2 1 1 A 145 145 GLY HA3 H 145 3.967 4.077 -0.110 1
1 1789 . 2 1 1 A 145 145 GLY C C 145 174.123 174.955 -0.832 1
1 1790 . 2 1 1 A 146 146 MET N N 146 119.836 120.194 -0.358 1
1 1791 . 2 1 1 A 146 146 MET H H 146 8.197 8.306 -0.109 1
1 1792 . 2 1 1 A 146 146 MET CA C 146 55.594 56.244 -0.650 1
1 1793 . 2 1 1 A 146 146 MET HA H 146 4.538 4.068 0.470 1
1 1794 . 2 1 1 A 146 146 MET CB C 146 33.090 31.382 1.708 1
1 1804 . 2 1 1 A 146 146 MET C C 146 176.454 176.030 0.424 1
1 1805 . 2 1 1 A 147 147 THR N N 147 116.248 114.679 1.569 1
1 1806 . 2 1 1 A 147 147 THR H H 147 8.239 7.883 0.356 1
1 1807 . 2 1 1 A 147 147 THR CA C 147 61.959 63.413 -1.454 1
1 1808 . 2 1 1 A 147 147 THR HA H 147 4.318 4.236 0.082 1
1 1809 . 2 1 1 A 147 147 THR CB C 147 69.875 69.498 0.377 1
1 1815 . 2 1 1 A 147 147 THR C C 147 174.141 173.658 0.483 1
1 1816 . 2 1 1 A 148 148 LYS N N 148 125.399 124.713 0.686 1
1 1817 . 2 1 1 A 148 148 LYS H H 148 8.387 8.981 -0.594 1
1 1818 . 2 1 1 A 148 148 LYS CA C 148 54.186 53.156 1.030 1
1 1819 . 2 1 1 A 148 148 LYS HA H 148 4.617 4.984 -0.367 1
1 1820 . 2 1 1 A 148 148 LYS CB C 148 32.651 35.586 -2.935 1
1 1832 . 2 1 1 A 148 148 LYS C C 148 174.388 173.592 0.796 1
1 1833 . 2 1 1 A 149 149 PRO CA C 149 63.178 62.438 0.740 1
1 1834 . 2 1 1 A 149 149 PRO HA H 149 4.406 4.689 -0.283 1
1 1835 . 2 1 1 A 149 149 PRO CB C 149 32.164 32.338 -0.174 1
1 1844 . 2 1 1 A 150 150 HIS CA C 150 56.264 54.403 1.861 1
1 1845 . 2 1 1 A 150 150 HIS HA H 150 4.626 5.285 -0.659 1
1 1846 . 2 1 1 A 150 150 HIS CB C 150 30.574 33.174 -2.600 1
1 1852 . 2 1 1 A 151 151 SER CA C 151 58.018 57.242 0.776 1
1 1853 . 2 1 1 A 151 151 SER HA H 151 4.475 4.875 -0.400 1
1 1854 . 2 1 1 A 151 151 SER CB C 151 64.139 66.000 -1.861 1
1 1856 . 2 1 1 A 151 151 SER C C 151 174.253 172.968 1.285 1
1 1857 . 2 1 1 A 152 152 GLY N N 152 110.964 106.978 3.986 1
1 1858 . 2 1 1 A 152 152 GLY H H 152 8.276 8.397 -0.121 1
1 1859 . 2 1 1 A 152 152 GLY CA C 152 44.637 44.607 0.030 1
1 1860 . 2 1 1 A 152 152 GLY HA2 H 152 4.120 4.117 0.003 1
1 1861 . 2 1 1 A 152 152 GLY HA3 H 152 4.120 4.122 -0.002 1
1 1862 . 2 1 1 A 152 152 GLY C C 152 171.668 172.069 -0.401 1
1 1863 . 2 1 1 A 153 153 PRO CA C 153 63.147 62.681 0.466 1
1 1864 . 2 1 1 A 153 153 PRO HA H 153 4.425 4.545 -0.120 1
1 1865 . 2 1 1 A 153 153 PRO CB C 153 32.149 32.151 -0.002 1
1 1874 . 2 1 1 A 153 153 PRO C C 153 176.656 176.519 0.137 1
1 1875 . 2 1 1 A 154 154 ASP N N 154 120.420 120.314 0.106 1
1 1876 . 2 1 1 A 154 154 ASP H H 154 8.463 8.417 0.046 1
1 1877 . 2 1 1 A 154 154 ASP CA C 154 54.429 53.276 1.153 1
1 1878 . 2 1 1 A 154 154 ASP HA H 154 4.575 4.576 -0.001 1
1 1879 . 2 1 1 A 154 154 ASP CB C 154 40.979 41.617 -0.638 1
1 1882 . 2 1 1 A 154 154 ASP C C 154 176.163 175.860 0.303 1
1 1883 . 2 1 1 A 155 155 LEU N N 155 123.563 122.689 0.874 1
1 1884 . 2 1 1 A 155 155 LEU H H 155 8.266 8.505 -0.239 1
1 1885 . 2 1 1 A 155 155 LEU CA C 155 55.022 56.484 -1.462 1
1 1886 . 2 1 1 A 155 155 LEU HA H 155 4.358 3.980 0.378 1
1 1887 . 2 1 1 A 155 155 LEU CB C 155 42.157 41.592 0.565 1
1 1900 . 2 1 1 A 155 155 LEU C C 155 176.990 177.545 -0.555 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.655 57.032 1.623 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.501 5.095 -0.594 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.644 65.641 -1.997 1
1 6 . 3 1 1 A 6 6 SER C C 6 175.063 173.875 1.188 1
1 7 . 3 1 1 A 7 7 GLY N N 7 111.113 107.308 3.805 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.473 8.326 0.147 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.373 45.369 0.004 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 3.967 4.206 -0.239 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 3.967 4.207 -0.240 1
1 12 . 3 1 1 A 7 7 GLY C C 7 173.934 171.752 2.182 1
1 13 . 3 1 1 A 8 8 ALA N N 8 123.788 123.174 0.614 1
1 14 . 3 1 1 A 8 8 ALA H H 8 8.197 8.179 0.018 1
1 15 . 3 1 1 A 8 8 ALA CA C 8 52.548 50.703 1.845 1
1 16 . 3 1 1 A 8 8 ALA HA H 8 4.342 4.990 -0.648 1
1 17 . 3 1 1 A 8 8 ALA CB C 8 19.403 20.705 -1.302 1
1 21 . 3 1 1 A 8 8 ALA C C 8 177.902 177.173 0.729 1
1 22 . 3 1 1 A 9 9 GLU N N 9 120.004 123.873 -3.869 1
1 23 . 3 1 1 A 9 9 GLU H H 9 8.524 8.585 -0.061 1
1 24 . 3 1 1 A 9 9 GLU CA C 9 56.763 57.192 -0.429 1
1 25 . 3 1 1 A 9 9 GLU HA H 9 4.308 4.205 0.103 1
1 26 . 3 1 1 A 9 9 GLU CB C 9 30.161 29.653 0.508 1
1 32 . 3 1 1 A 9 9 GLU C C 9 176.646 176.577 0.069 1
1 33 . 3 1 1 A 10 10 SER N N 10 116.268 119.599 -3.331 1
1 34 . 3 1 1 A 10 10 SER H H 10 8.305 8.362 -0.057 1
1 35 . 3 1 1 A 10 10 SER CA C 10 58.426 57.171 1.255 1
1 36 . 3 1 1 A 10 10 SER HA H 10 4.429 4.710 -0.281 1
1 37 . 3 1 1 A 10 10 SER CB C 10 63.933 65.298 -1.365 1
1 40 . 3 1 1 A 10 10 SER C C 10 174.267 174.487 -0.220 1
1 41 . 3 1 1 A 11 11 GLU N N 11 122.435 122.382 0.053 1
1 42 . 3 1 1 A 11 11 GLU H H 11 8.368 8.583 -0.215 1
1 43 . 3 1 1 A 11 11 GLU CA C 11 56.233 57.322 -1.089 1
1 44 . 3 1 1 A 11 11 GLU HA H 11 4.367 4.325 0.042 1
1 45 . 3 1 1 A 11 11 GLU CB C 11 30.692 30.362 0.330 1
1 51 . 3 1 1 A 11 11 GLU C C 11 175.800 176.316 -0.516 1
1 52 . 3 1 1 A 12 12 SER N N 12 116.596 117.423 -0.827 1
1 53 . 3 1 1 A 12 12 SER H H 12 8.299 8.529 -0.230 1
1 54 . 3 1 1 A 12 12 SER CA C 12 58.355 56.831 1.524 1
1 55 . 3 1 1 A 12 12 SER HA H 12 4.457 5.326 -0.869 1
1 56 . 3 1 1 A 12 12 SER CB C 12 64.573 66.510 -1.937 1
1 59 . 3 1 1 A 12 12 SER C C 12 173.309 172.959 0.350 1
1 60 . 3 1 1 A 13 13 PHE N N 13 121.293 119.723 1.570 1
1 61 . 3 1 1 A 13 13 PHE H H 13 8.346 8.784 -0.438 1
1 62 . 3 1 1 A 13 13 PHE CA C 13 56.851 56.316 0.535 1
1 63 . 3 1 1 A 13 13 PHE HA H 13 5.384 5.380 0.004 1
1 64 . 3 1 1 A 13 13 PHE CB C 13 42.542 43.358 -0.816 1
1 77 . 3 1 1 A 13 13 PHE C C 13 174.500 174.608 -0.108 1
1 78 . 3 1 1 A 14 14 VAL N N 14 116.020 115.651 0.369 1
1 79 . 3 1 1 A 14 14 VAL H H 14 9.313 9.032 0.281 1
1 80 . 3 1 1 A 14 14 VAL CA C 14 60.141 59.244 0.897 1
1 81 . 3 1 1 A 14 14 VAL HA H 14 4.455 4.903 -0.448 1
1 82 . 3 1 1 A 14 14 VAL CB C 14 36.318 36.160 0.158 1
1 92 . 3 1 1 A 14 14 VAL C C 14 174.668 174.586 0.082 1
1 93 . 3 1 1 A 15 15 LEU N N 15 121.725 121.874 -0.149 1
1 94 . 3 1 1 A 15 15 LEU H H 15 8.476 8.555 -0.079 1
1 95 . 3 1 1 A 15 15 LEU CA C 15 54.800 53.019 1.781 1
1 96 . 3 1 1 A 15 15 LEU HA H 15 4.403 4.939 -0.536 1
1 97 . 3 1 1 A 15 15 LEU CB C 15 39.816 43.584 -3.768 1
1 110 . 3 1 1 A 15 15 LEU C C 15 177.001 176.097 0.904 1
1 111 . 3 1 1 A 16 16 ASP N N 16 126.576 124.712 1.864 1
1 112 . 3 1 1 A 16 16 ASP H H 16 8.766 8.359 0.407 1
1 113 . 3 1 1 A 16 16 ASP CA C 16 52.828 53.331 -0.503 1
1 114 . 3 1 1 A 16 16 ASP HA H 16 5.081 4.850 0.231 1
1 115 . 3 1 1 A 16 16 ASP CB C 16 42.268 41.387 0.881 1
1 118 . 3 1 1 A 16 16 ASP C C 16 174.640 175.518 -0.878 1
1 119 . 3 1 1 A 17 17 PHE N N 17 112.958 117.675 -4.717 1
1 120 . 3 1 1 A 17 17 PHE H H 17 6.915 7.120 -0.205 1
1 121 . 3 1 1 A 17 17 PHE CA C 17 55.489 56.444 -0.955 1
1 122 . 3 1 1 A 17 17 PHE HA H 17 4.938 5.175 -0.237 1
1 123 . 3 1 1 A 17 17 PHE CB C 17 39.154 41.670 -2.516 1
1 136 . 3 1 1 A 17 17 PHE C C 17 173.746 174.064 -0.318 1
1 137 . 3 1 1 A 18 18 SER N N 18 114.977 115.088 -0.111 1
1 138 . 3 1 1 A 18 18 SER H H 18 8.569 8.850 -0.281 1
1 139 . 3 1 1 A 18 18 SER CA C 18 57.046 57.803 -0.757 1
1 140 . 3 1 1 A 18 18 SER HA H 18 4.670 4.614 0.056 1
1 141 . 3 1 1 A 18 18 SER CB C 18 63.974 64.567 -0.593 1
1 144 . 3 1 1 A 18 18 SER C C 18 175.437 174.571 0.866 1
1 145 . 3 1 1 A 19 19 GLN N N 19 123.586 122.355 1.231 1
1 146 . 3 1 1 A 19 19 GLN H H 19 9.033 8.619 0.414 1
1 147 . 3 1 1 A 19 19 GLN CA C 19 54.023 55.007 -0.984 1
1 148 . 3 1 1 A 19 19 GLN HA H 19 4.558 4.464 0.094 1
1 149 . 3 1 1 A 19 19 GLN CB C 19 27.994 28.398 -0.404 1
1 158 . 3 1 1 A 19 19 GLN C C 19 177.642 176.246 1.396 1
1 159 . 3 1 1 A 20 20 PRO CA C 20 65.836 65.356 0.480 1
1 160 . 3 1 1 A 20 20 PRO HA H 20 4.370 4.473 -0.103 1
1 161 . 3 1 1 A 20 20 PRO CB C 20 32.556 32.169 0.387 1
1 170 . 3 1 1 A 20 20 PRO C C 20 178.374 178.452 -0.078 1
1 171 . 3 1 1 A 21 21 SER N N 21 104.386 112.289 -7.903 1
1 172 . 3 1 1 A 21 21 SER H H 21 7.216 7.923 -0.707 1
1 173 . 3 1 1 A 21 21 SER CA C 21 58.886 61.282 -2.396 1
1 174 . 3 1 1 A 21 21 SER HA H 21 3.271 3.663 -0.392 1
1 175 . 3 1 1 A 21 21 SER CB C 21 62.401 62.416 -0.015 1
1 178 . 3 1 1 A 21 21 SER C C 21 174.423 176.748 -2.325 1
1 179 . 3 1 1 A 22 22 ALA N N 22 123.008 122.643 0.365 1
1 180 . 3 1 1 A 22 22 ALA H H 22 7.700 8.036 -0.336 1
1 181 . 3 1 1 A 22 22 ALA CA C 22 53.968 55.583 -1.615 1
1 182 . 3 1 1 A 22 22 ALA HA H 22 4.198 4.074 0.124 1
1 183 . 3 1 1 A 22 22 ALA CB C 22 18.504 19.115 -0.611 1
1 187 . 3 1 1 A 22 22 ALA C C 22 177.624 177.897 -0.273 1
1 188 . 3 1 1 A 23 23 ASP N N 23 117.789 117.491 0.298 1
1 189 . 3 1 1 A 23 23 ASP H H 23 7.080 8.138 -1.058 1
1 190 . 3 1 1 A 23 23 ASP CA C 23 52.151 53.169 -1.018 1
1 191 . 3 1 1 A 23 23 ASP HA H 23 4.893 5.022 -0.129 1
1 192 . 3 1 1 A 23 23 ASP CB C 23 40.592 39.633 0.959 1
1 195 . 3 1 1 A 23 23 ASP C C 23 175.032 175.836 -0.804 1
1 196 . 3 1 1 A 24 24 TYR N N 24 123.295 126.402 -3.107 1
1 197 . 3 1 1 A 24 24 TYR H H 24 8.217 8.966 -0.749 1
1 198 . 3 1 1 A 24 24 TYR CA C 24 61.711 61.799 -0.088 1
1 199 . 3 1 1 A 24 24 TYR HA H 24 4.196 4.113 0.083 1
1 200 . 3 1 1 A 24 24 TYR CB C 24 38.456 39.056 -0.600 1
1 211 . 3 1 1 A 24 24 TYR C C 24 177.434 177.337 0.097 1
1 212 . 3 1 1 A 25 25 LEU N N 25 119.429 121.188 -1.759 1
1 213 . 3 1 1 A 25 25 LEU H H 25 8.074 8.416 -0.342 1
1 214 . 3 1 1 A 25 25 LEU CA C 25 57.691 58.517 -0.826 1
1 215 . 3 1 1 A 25 25 LEU HA H 25 3.967 4.003 -0.036 1
1 216 . 3 1 1 A 25 25 LEU CB C 25 41.388 41.358 0.030 1
1 229 . 3 1 1 A 25 25 LEU C C 25 178.768 178.396 0.372 1
1 230 . 3 1 1 A 26 26 ASP N N 26 119.881 118.866 1.015 1
1 231 . 3 1 1 A 26 26 ASP H H 26 7.561 8.280 -0.719 1
1 232 . 3 1 1 A 26 26 ASP CA C 26 57.625 56.833 0.792 1
1 233 . 3 1 1 A 26 26 ASP HA H 26 4.367 4.354 0.013 1
1 234 . 3 1 1 A 26 26 ASP CB C 26 42.955 41.406 1.549 1
1 237 . 3 1 1 A 26 26 ASP C C 26 177.657 178.463 -0.806 1
1 238 . 3 1 1 A 27 27 PHE N N 27 118.946 120.549 -1.603 1
1 239 . 3 1 1 A 27 27 PHE H H 27 8.750 8.394 0.356 1
1 240 . 3 1 1 A 27 27 PHE CA C 27 61.323 61.164 0.159 1
1 241 . 3 1 1 A 27 27 PHE HA H 27 4.088 4.156 -0.068 1
1 242 . 3 1 1 A 27 27 PHE CB C 27 39.606 39.550 0.056 1
1 255 . 3 1 1 A 27 27 PHE C C 27 176.662 177.196 -0.534 1
1 256 . 3 1 1 A 28 28 ARG N N 28 116.744 118.343 -1.599 1
1 257 . 3 1 1 A 28 28 ARG H H 28 8.079 8.332 -0.253 1
1 258 . 3 1 1 A 28 28 ARG CA C 28 59.051 58.689 0.362 1
1 259 . 3 1 1 A 28 28 ARG HA H 28 3.590 3.862 -0.272 1
1 260 . 3 1 1 A 28 28 ARG CB C 28 29.516 29.778 -0.262 1
1 269 . 3 1 1 A 28 28 ARG C C 28 179.306 178.118 1.188 1
1 270 . 3 1 1 A 29 29 ASN N N 29 119.381 117.826 1.555 1
1 271 . 3 1 1 A 29 29 ASN H H 29 8.106 8.272 -0.166 1
1 272 . 3 1 1 A 29 29 ASN CA C 29 55.861 55.934 -0.073 1
1 273 . 3 1 1 A 29 29 ASN HA H 29 4.361 4.380 -0.019 1
1 274 . 3 1 1 A 29 29 ASN CB C 29 37.622 37.660 -0.038 1
1 280 . 3 1 1 A 29 29 ASN C C 29 178.555 178.430 0.125 1
1 281 . 3 1 1 A 30 30 ARG N N 30 123.244 119.397 3.847 1
1 282 . 3 1 1 A 30 30 ARG H H 30 8.640 7.750 0.890 1
1 283 . 3 1 1 A 30 30 ARG CA C 30 59.708 58.685 1.023 1
1 284 . 3 1 1 A 30 30 ARG HA H 30 3.912 3.963 -0.051 1
1 285 . 3 1 1 A 30 30 ARG CB C 30 30.910 29.735 1.175 1
1 296 . 3 1 1 A 30 30 ARG C C 30 178.651 178.747 -0.096 1
1 297 . 3 1 1 A 31 31 LEU N N 31 119.911 121.221 -1.310 1
1 298 . 3 1 1 A 31 31 LEU H H 31 7.988 7.351 0.637 1
1 299 . 3 1 1 A 31 31 LEU CA C 31 58.049 56.645 1.404 1
1 300 . 3 1 1 A 31 31 LEU HA H 31 3.409 3.909 -0.500 1
1 301 . 3 1 1 A 31 31 LEU CB C 31 41.342 41.266 0.076 1
1 314 . 3 1 1 A 31 31 LEU C C 31 178.698 177.924 0.774 1
1 315 . 3 1 1 A 32 32 GLN N N 32 114.904 117.965 -3.061 1
1 316 . 3 1 1 A 32 32 GLN H H 32 7.416 7.888 -0.472 1
1 317 . 3 1 1 A 32 32 GLN CA C 32 58.019 57.353 0.666 1
1 318 . 3 1 1 A 32 32 GLN HA H 32 3.891 4.153 -0.262 1
1 319 . 3 1 1 A 32 32 GLN CB C 32 28.679 29.065 -0.386 1
1 328 . 3 1 1 A 32 32 GLN C C 32 176.457 176.801 -0.344 1
1 329 . 3 1 1 A 33 33 ALA N N 33 119.088 120.584 -1.496 1
1 330 . 3 1 1 A 33 33 ALA H H 33 7.791 7.850 -0.059 1
1 331 . 3 1 1 A 33 33 ALA CA C 33 54.057 53.070 0.987 1
1 332 . 3 1 1 A 33 33 ALA HA H 33 4.099 4.176 -0.077 1
1 333 . 3 1 1 A 33 33 ALA CB C 33 19.921 19.243 0.678 1
1 337 . 3 1 1 A 33 33 ALA C C 33 178.303 177.293 1.010 1
1 338 . 3 1 1 A 34 34 ASP N N 34 115.377 117.487 -2.110 1
1 339 . 3 1 1 A 34 34 ASP H H 34 8.662 8.051 0.611 1
1 340 . 3 1 1 A 34 34 ASP CA C 34 55.153 53.154 1.999 1
1 341 . 3 1 1 A 34 34 ASP HA H 34 4.698 4.819 -0.121 1
1 342 . 3 1 1 A 34 34 ASP CB C 34 41.976 41.104 0.872 1
1 345 . 3 1 1 A 34 34 ASP C C 34 177.531 175.547 1.984 1
1 346 . 3 1 1 A 35 35 HIS N N 35 108.110 116.089 -7.979 1
1 347 . 3 1 1 A 35 35 HIS H H 35 7.018 7.609 -0.591 1
1 348 . 3 1 1 A 35 35 HIS CA C 35 58.336 56.667 1.669 1
1 349 . 3 1 1 A 35 35 HIS HA H 35 4.543 4.367 0.176 1
1 350 . 3 1 1 A 35 35 HIS CB C 35 26.472 26.514 -0.042 1
1 357 . 3 1 1 A 35 35 HIS C C 35 171.507 173.319 -1.812 1
1 358 . 3 1 1 A 36 36 VAL N N 36 115.529 116.620 -1.091 1
1 359 . 3 1 1 A 36 36 VAL H H 36 7.065 6.958 0.107 1
1 360 . 3 1 1 A 36 36 VAL CA C 36 58.549 60.743 -2.194 1
1 361 . 3 1 1 A 36 36 VAL HA H 36 4.867 4.377 0.490 1
1 362 . 3 1 1 A 36 36 VAL CB C 36 33.135 34.315 -1.180 1
1 372 . 3 1 1 A 36 36 VAL C C 36 171.953 173.589 -1.636 1
1 373 . 3 1 1 A 37 37 CYS N N 37 124.685 124.584 0.101 1
1 374 . 3 1 1 A 37 37 CYS H H 37 8.694 8.116 0.578 1
1 375 . 3 1 1 A 37 37 CYS CA C 37 59.979 58.398 1.581 1
1 376 . 3 1 1 A 37 37 CYS HA H 37 4.594 4.953 -0.359 1
1 377 . 3 1 1 A 37 37 CYS CB C 37 29.016 30.940 -1.924 1
1 380 . 3 1 1 A 37 37 CYS C C 37 173.445 172.827 0.618 1
1 381 . 3 1 1 A 38 38 LEU N N 38 132.291 126.390 5.901 1
1 382 . 3 1 1 A 38 38 LEU H H 38 9.625 8.864 0.761 1
1 383 . 3 1 1 A 38 38 LEU CA C 38 57.958 54.775 3.183 1
1 384 . 3 1 1 A 38 38 LEU HA H 38 4.167 4.804 -0.637 1
1 385 . 3 1 1 A 38 38 LEU CB C 38 42.189 42.385 -0.196 1
1 398 . 3 1 1 A 38 38 LEU C C 38 173.188 176.996 -3.808 1
1 399 . 3 1 1 A 39 39 GLU N N 39 127.988 128.077 -0.089 1
1 400 . 3 1 1 A 39 39 GLU H H 39 9.267 9.155 0.112 1
1 401 . 3 1 1 A 39 39 GLU CA C 39 57.435 58.864 -1.429 1
1 402 . 3 1 1 A 39 39 GLU HA H 39 4.521 4.032 0.489 1
1 403 . 3 1 1 A 39 39 GLU CB C 39 31.891 30.233 1.658 1
1 409 . 3 1 1 A 39 39 GLU C C 39 175.300 176.358 -1.058 1
1 410 . 3 1 1 A 40 40 ASN N N 40 115.109 113.102 2.007 1
1 411 . 3 1 1 A 40 40 ASN H H 40 7.757 7.815 -0.058 1
1 412 . 3 1 1 A 40 40 ASN CA C 40 52.151 51.510 0.641 1
1 413 . 3 1 1 A 40 40 ASN HA H 40 5.353 5.352 0.001 1
1 414 . 3 1 1 A 40 40 ASN CB C 40 43.324 41.830 1.494 1
1 420 . 3 1 1 A 40 40 ASN C C 40 173.918 173.513 0.405 1
1 421 . 3 1 1 A 41 41 CYS N N 41 120.861 119.661 1.200 1
1 422 . 3 1 1 A 41 41 CYS H H 41 9.646 9.104 0.542 1
1 423 . 3 1 1 A 41 41 CYS CA C 41 58.934 57.639 1.295 1
1 424 . 3 1 1 A 41 41 CYS HA H 41 5.167 5.059 0.108 1
1 425 . 3 1 1 A 41 41 CYS CB C 41 30.293 29.472 0.821 1
1 428 . 3 1 1 A 41 41 CYS C C 41 171.600 173.562 -1.962 1
1 429 . 3 1 1 A 42 42 VAL N N 42 126.721 123.428 3.293 1
1 430 . 3 1 1 A 42 42 VAL H H 42 9.532 8.951 0.581 1
1 431 . 3 1 1 A 42 42 VAL CA C 42 60.463 60.209 0.254 1
1 432 . 3 1 1 A 42 42 VAL HA H 42 4.454 4.930 -0.476 1
1 433 . 3 1 1 A 42 42 VAL CB C 42 35.496 34.056 1.440 1
1 443 . 3 1 1 A 42 42 VAL C C 42 173.645 174.113 -0.468 1
1 444 . 3 1 1 A 43 43 LEU N N 43 127.183 123.500 3.683 1
1 445 . 3 1 1 A 43 43 LEU H H 43 8.597 8.739 -0.142 1
1 446 . 3 1 1 A 43 43 LEU CA C 43 54.209 53.531 0.678 1
1 447 . 3 1 1 A 43 43 LEU HA H 43 5.050 5.257 -0.207 1
1 448 . 3 1 1 A 43 43 LEU CB C 43 43.450 46.627 -3.177 1
1 461 . 3 1 1 A 43 43 LEU C C 43 176.151 174.722 1.429 1
1 462 . 3 1 1 A 44 44 LYS N N 44 127.086 124.329 2.757 1
1 463 . 3 1 1 A 44 44 LYS H H 44 8.726 9.030 -0.304 1
1 464 . 3 1 1 A 44 44 LYS CA C 44 55.033 54.245 0.788 1
1 465 . 3 1 1 A 44 44 LYS HA H 44 4.552 4.871 -0.319 1
1 466 . 3 1 1 A 44 44 LYS CB C 44 34.147 36.256 -2.109 1
1 478 . 3 1 1 A 44 44 LYS C C 44 175.176 175.672 -0.496 1
1 479 . 3 1 1 A 45 45 ASP N N 45 123.045 121.242 1.803 1
1 480 . 3 1 1 A 45 45 ASP H H 45 8.876 8.575 0.301 1
1 481 . 3 1 1 A 45 45 ASP CA C 45 56.515 55.062 1.453 1
1 482 . 3 1 1 A 45 45 ASP HA H 45 4.321 4.544 -0.223 1
1 483 . 3 1 1 A 45 45 ASP CB C 45 39.782 40.228 -0.446 1
1 486 . 3 1 1 A 45 45 ASP C C 45 175.339 176.220 -0.881 1
1 487 . 3 1 1 A 46 46 LYS N N 46 118.201 118.020 0.181 1
1 488 . 3 1 1 A 46 46 LYS H H 46 8.620 9.168 -0.548 1
1 489 . 3 1 1 A 46 46 LYS CA C 46 56.158 57.252 -1.094 1
1 490 . 3 1 1 A 46 46 LYS HA H 46 4.079 3.861 0.218 1
1 491 . 3 1 1 A 46 46 LYS CB C 46 30.929 29.973 0.956 1
1 503 . 3 1 1 A 46 46 LYS C C 46 174.615 175.160 -0.545 1
1 504 . 3 1 1 A 47 47 ALA N N 47 121.283 117.842 3.441 1
1 505 . 3 1 1 A 47 47 ALA H H 47 7.611 7.154 0.457 1
1 506 . 3 1 1 A 47 47 ALA CA C 47 51.809 51.615 0.194 1
1 507 . 3 1 1 A 47 47 ALA HA H 47 5.105 4.982 0.123 1
1 508 . 3 1 1 A 47 47 ALA CB C 47 22.739 23.064 -0.325 1
1 512 . 3 1 1 A 47 47 ALA C C 47 175.508 175.156 0.352 1
1 513 . 3 1 1 A 48 48 ILE N N 48 114.639 114.732 -0.093 1
1 514 . 3 1 1 A 48 48 ILE H H 48 8.819 8.583 0.236 1
1 515 . 3 1 1 A 48 48 ILE CA C 48 59.017 59.161 -0.144 1
1 516 . 3 1 1 A 48 48 ILE HA H 48 5.230 5.157 0.073 1
1 517 . 3 1 1 A 48 48 ILE CB C 48 41.811 42.501 -0.690 1
1 530 . 3 1 1 A 48 48 ILE C C 48 172.954 174.494 -1.540 1
1 531 . 3 1 1 A 49 49 ALA N N 49 126.155 122.922 3.233 1
1 532 . 3 1 1 A 49 49 ALA H H 49 8.652 8.299 0.353 1
1 533 . 3 1 1 A 49 49 ALA CA C 49 50.095 51.002 -0.907 1
1 534 . 3 1 1 A 49 49 ALA HA H 49 4.769 5.228 -0.459 1
1 535 . 3 1 1 A 49 49 ALA CB C 49 22.651 22.806 -0.155 1
1 539 . 3 1 1 A 49 49 ALA C C 49 175.812 175.795 0.017 1
1 540 . 3 1 1 A 50 50 GLY N N 50 105.980 107.369 -1.389 1
1 541 . 3 1 1 A 50 50 GLY H H 50 6.754 6.949 -0.195 1
1 542 . 3 1 1 A 50 50 GLY CA C 50 46.134 44.959 1.175 1
1 543 . 3 1 1 A 50 50 GLY HA2 H 50 3.803 3.844 -0.041 1
1 544 . 3 1 1 A 50 50 GLY HA3 H 50 4.077 4.046 0.031 1
1 545 . 3 1 1 A 50 50 GLY C C 50 172.510 172.297 0.213 1
1 546 . 3 1 1 A 51 51 THR N N 51 108.648 111.498 -2.850 1
1 547 . 3 1 1 A 51 51 THR H H 51 8.556 8.776 -0.220 1
1 548 . 3 1 1 A 51 51 THR CA C 51 59.116 60.194 -1.078 1
1 549 . 3 1 1 A 51 51 THR HA H 51 5.588 5.667 -0.079 1
1 550 . 3 1 1 A 51 51 THR CB C 51 72.737 70.589 2.148 1
1 556 . 3 1 1 A 51 51 THR C C 51 174.087 173.794 0.293 1
1 557 . 3 1 1 A 52 52 VAL N N 52 122.025 125.613 -3.588 1
1 558 . 3 1 1 A 52 52 VAL H H 52 9.746 9.564 0.182 1
1 559 . 3 1 1 A 52 52 VAL CA C 52 61.371 61.250 0.121 1
1 560 . 3 1 1 A 52 52 VAL HA H 52 4.463 4.741 -0.278 1
1 561 . 3 1 1 A 52 52 VAL CB C 52 36.986 33.954 3.032 1
1 571 . 3 1 1 A 52 52 VAL C C 52 174.687 175.279 -0.592 1
1 572 . 3 1 1 A 53 53 LYS N N 53 125.115 126.320 -1.205 1
1 573 . 3 1 1 A 53 53 LYS H H 53 8.567 9.120 -0.553 1
1 574 . 3 1 1 A 53 53 LYS CA C 53 53.668 54.991 -1.323 1
1 575 . 3 1 1 A 53 53 LYS HA H 53 5.599 5.115 0.484 1
1 576 . 3 1 1 A 53 53 LYS CB C 53 37.855 35.243 2.612 1
1 588 . 3 1 1 A 53 53 LYS C C 53 174.697 175.895 -1.198 1
1 589 . 3 1 1 A 54 54 VAL N N 54 110.661 118.022 -7.361 1
1 590 . 3 1 1 A 54 54 VAL H H 54 8.498 8.837 -0.339 1
1 591 . 3 1 1 A 54 54 VAL CA C 54 57.682 58.828 -1.146 1
1 592 . 3 1 1 A 54 54 VAL HA H 54 4.825 4.439 0.386 1
1 593 . 3 1 1 A 54 54 VAL CB C 54 34.634 35.463 -0.829 1
1 603 . 3 1 1 A 54 54 VAL C C 54 176.105 174.224 1.881 1
1 604 . 3 1 1 A 55 55 GLN N N 55 119.414 121.330 -1.916 1
1 605 . 3 1 1 A 55 55 GLN H H 55 7.924 7.913 0.011 1
1 606 . 3 1 1 A 55 55 GLN CA C 55 56.023 55.446 0.577 1
1 607 . 3 1 1 A 55 55 GLN HA H 55 4.456 4.467 -0.011 1
1 608 . 3 1 1 A 55 55 GLN CB C 55 30.216 29.431 0.785 1
1 617 . 3 1 1 A 55 55 GLN C C 55 176.800 175.739 1.061 1
1 618 . 3 1 1 A 56 56 ASN N N 56 125.676 121.503 4.173 1
1 619 . 3 1 1 A 56 56 ASN H H 56 8.837 8.773 0.064 1
1 620 . 3 1 1 A 56 56 ASN CA C 56 53.190 51.846 1.344 1
1 621 . 3 1 1 A 56 56 ASN HA H 56 4.575 4.866 -0.291 1
1 622 . 3 1 1 A 56 56 ASN CB C 56 36.855 36.781 0.074 1
1 628 . 3 1 1 A 56 56 ASN C C 56 174.747 175.906 -1.159 1
1 629 . 3 1 1 A 57 57 LEU N N 57 124.779 125.046 -0.267 1
1 630 . 3 1 1 A 57 57 LEU H H 57 7.284 8.215 -0.931 1
1 631 . 3 1 1 A 57 57 LEU CA C 57 55.224 57.869 -2.645 1
1 632 . 3 1 1 A 57 57 LEU HA H 57 4.326 3.999 0.327 1
1 633 . 3 1 1 A 57 57 LEU CB C 57 43.634 42.053 1.581 1
1 646 . 3 1 1 A 57 57 LEU C C 57 176.186 177.152 -0.966 1
1 647 . 3 1 1 A 58 58 ALA N N 58 119.342 118.106 1.236 1
1 648 . 3 1 1 A 58 58 ALA H H 58 7.724 7.811 -0.087 1
1 649 . 3 1 1 A 58 58 ALA CA C 58 51.687 50.269 1.418 1
1 650 . 3 1 1 A 58 58 ALA HA H 58 4.343 4.776 -0.433 1
1 651 . 3 1 1 A 58 58 ALA CB C 58 21.122 21.744 -0.622 1
1 655 . 3 1 1 A 58 58 ALA C C 58 175.847 177.843 -1.996 1
1 656 . 3 1 1 A 59 59 PHE N N 59 118.235 119.022 -0.787 1
1 657 . 3 1 1 A 59 59 PHE H H 59 8.231 9.128 -0.897 1
1 658 . 3 1 1 A 59 59 PHE CA C 59 60.105 61.836 -1.731 1
1 659 . 3 1 1 A 59 59 PHE HA H 59 4.428 4.129 0.299 1
1 660 . 3 1 1 A 59 59 PHE CB C 59 40.386 39.648 0.738 1
1 673 . 3 1 1 A 59 59 PHE C C 59 176.670 176.003 0.667 1
1 674 . 3 1 1 A 60 60 GLU N N 60 120.295 118.181 2.114 1
1 675 . 3 1 1 A 60 60 GLU H H 60 8.482 8.052 0.430 1
1 676 . 3 1 1 A 60 60 GLU CA C 60 57.134 56.756 0.378 1
1 677 . 3 1 1 A 60 60 GLU HA H 60 4.306 4.594 -0.288 1
1 678 . 3 1 1 A 60 60 GLU CB C 60 29.569 31.002 -1.433 1
1 684 . 3 1 1 A 60 60 GLU C C 60 175.584 176.666 -1.082 1
1 685 . 3 1 1 A 61 61 LYS N N 61 123.512 124.287 -0.775 1
1 686 . 3 1 1 A 61 61 LYS H H 61 8.377 8.860 -0.483 1
1 687 . 3 1 1 A 61 61 LYS CA C 61 55.939 54.771 1.168 1
1 688 . 3 1 1 A 61 61 LYS HA H 61 5.038 5.327 -0.289 1
1 689 . 3 1 1 A 61 61 LYS CB C 61 37.890 36.370 1.520 1
1 701 . 3 1 1 A 61 61 LYS C C 61 175.510 175.402 0.108 1
1 702 . 3 1 1 A 62 62 THR N N 62 117.107 117.821 -0.714 1
1 703 . 3 1 1 A 62 62 THR H H 62 8.285 8.412 -0.127 1
1 704 . 3 1 1 A 62 62 THR CA C 62 62.340 61.788 0.552 1
1 705 . 3 1 1 A 62 62 THR HA H 62 4.435 4.909 -0.474 1
1 706 . 3 1 1 A 62 62 THR CB C 62 71.605 70.342 1.263 1
1 712 . 3 1 1 A 62 62 THR C C 62 172.156 173.266 -1.110 1
1 713 . 3 1 1 A 63 63 VAL N N 63 128.402 127.424 0.978 1
1 714 . 3 1 1 A 63 63 VAL H H 63 8.719 8.915 -0.196 1
1 715 . 3 1 1 A 63 63 VAL CA C 63 60.707 60.976 -0.269 1
1 716 . 3 1 1 A 63 63 VAL HA H 63 4.755 4.668 0.087 1
1 717 . 3 1 1 A 63 63 VAL CB C 63 35.210 33.155 2.055 1
1 727 . 3 1 1 A 63 63 VAL C C 63 174.313 175.114 -0.801 1
1 728 . 3 1 1 A 64 64 LYS N N 64 123.629 125.547 -1.918 1
1 729 . 3 1 1 A 64 64 LYS H H 64 8.519 8.380 0.139 1
1 730 . 3 1 1 A 64 64 LYS CA C 64 54.850 54.435 0.415 1
1 731 . 3 1 1 A 64 64 LYS HA H 64 4.997 5.177 -0.180 1
1 732 . 3 1 1 A 64 64 LYS CB C 64 37.343 36.529 0.814 1
1 744 . 3 1 1 A 64 64 LYS C C 64 173.348 175.082 -1.734 1
1 745 . 3 1 1 A 65 65 ILE N N 65 119.250 123.895 -4.645 1
1 746 . 3 1 1 A 65 65 ILE H H 65 8.637 8.545 0.092 1
1 747 . 3 1 1 A 65 65 ILE CA C 65 57.894 60.116 -2.222 1
1 748 . 3 1 1 A 65 65 ILE HA H 65 4.451 4.696 -0.245 1
1 749 . 3 1 1 A 65 65 ILE CB C 65 37.638 39.164 -1.526 1
1 762 . 3 1 1 A 65 65 ILE C C 65 174.893 175.393 -0.500 1
1 763 . 3 1 1 A 66 66 ARG N N 66 130.193 126.622 3.571 1
1 764 . 3 1 1 A 66 66 ARG H H 66 9.244 8.534 0.710 1
1 765 . 3 1 1 A 66 66 ARG CA C 66 55.930 54.536 1.394 1
1 766 . 3 1 1 A 66 66 ARG HA H 66 5.440 4.898 0.542 1
1 767 . 3 1 1 A 66 66 ARG CB C 66 31.514 31.929 -0.415 1
1 778 . 3 1 1 A 66 66 ARG C C 66 174.161 174.316 -0.155 1
1 779 . 3 1 1 A 67 67 MET N N 67 128.046 125.233 2.813 1
1 780 . 3 1 1 A 67 67 MET H H 67 9.343 9.117 0.226 1
1 781 . 3 1 1 A 67 67 MET CA C 67 54.217 53.799 0.418 1
1 782 . 3 1 1 A 67 67 MET HA H 67 5.318 5.184 0.134 1
1 783 . 3 1 1 A 67 67 MET CB C 67 37.533 36.012 1.521 1
1 793 . 3 1 1 A 67 67 MET C C 67 173.432 173.883 -0.451 1
1 794 . 3 1 1 A 68 68 THR N N 68 118.404 118.218 0.186 1
1 795 . 3 1 1 A 68 68 THR H H 68 8.474 8.301 0.173 1
1 796 . 3 1 1 A 68 68 THR CA C 68 58.903 59.254 -0.351 1
1 797 . 3 1 1 A 68 68 THR HA H 68 3.948 4.987 -1.039 1
1 798 . 3 1 1 A 68 68 THR CB C 68 71.091 71.684 -0.593 1
1 804 . 3 1 1 A 68 68 THR C C 68 170.783 173.193 -2.410 1
1 805 . 3 1 1 A 69 69 PHE N N 69 124.029 123.113 0.916 1
1 806 . 3 1 1 A 69 69 PHE H H 69 8.910 9.158 -0.248 1
1 807 . 3 1 1 A 69 69 PHE CA C 69 55.772 57.635 -1.863 1
1 808 . 3 1 1 A 69 69 PHE HA H 69 4.783 4.801 -0.018 1
1 809 . 3 1 1 A 69 69 PHE CB C 69 39.748 40.363 -0.615 1
1 822 . 3 1 1 A 69 69 PHE C C 69 174.951 174.820 0.131 1
1 823 . 3 1 1 A 70 70 ASP N N 70 121.457 120.047 1.410 1
1 824 . 3 1 1 A 70 70 ASP H H 70 8.841 7.398 1.443 1
1 825 . 3 1 1 A 70 70 ASP CA C 70 52.288 52.672 -0.384 1
1 826 . 3 1 1 A 70 70 ASP HA H 70 4.661 4.887 -0.226 1
1 827 . 3 1 1 A 70 70 ASP CB C 70 40.026 40.875 -0.849 1
1 830 . 3 1 1 A 70 70 ASP C C 70 177.065 175.059 2.006 1
1 831 . 3 1 1 A 71 71 THR N N 71 114.661 120.213 -5.552 1
1 832 . 3 1 1 A 71 71 THR H H 71 8.724 9.178 -0.454 1
1 833 . 3 1 1 A 71 71 THR CA C 71 63.824 63.038 0.786 1
1 834 . 3 1 1 A 71 71 THR HA H 71 3.181 3.989 -0.808 1
1 835 . 3 1 1 A 71 71 THR CB C 71 66.535 67.021 -0.486 1
1 841 . 3 1 1 A 71 71 THR C C 71 173.648 174.002 -0.354 1
1 842 . 3 1 1 A 72 72 TRP N N 72 111.097 113.150 -2.053 1
1 843 . 3 1 1 A 72 72 TRP H H 72 8.854 8.058 0.796 1
1 844 . 3 1 1 A 72 72 TRP CA C 72 58.910 57.943 0.967 1
1 845 . 3 1 1 A 72 72 TRP HA H 72 3.951 4.271 -0.320 1
1 846 . 3 1 1 A 72 72 TRP CB C 72 24.332 26.678 -2.346 1
1 861 . 3 1 1 A 72 72 TRP C C 72 176.875 176.130 0.745 1
1 862 . 3 1 1 A 73 73 LYS N N 73 124.701 118.085 6.616 1
1 863 . 3 1 1 A 73 73 LYS H H 73 7.785 8.278 -0.493 1
1 864 . 3 1 1 A 73 73 LYS CA C 73 60.463 57.525 2.938 1
1 865 . 3 1 1 A 73 73 LYS HA H 73 4.174 4.393 -0.219 1
1 866 . 3 1 1 A 73 73 LYS CB C 73 31.024 34.085 -3.061 1
1 878 . 3 1 1 A 73 73 LYS C C 73 177.622 176.881 0.741 1
1 879 . 3 1 1 A 74 74 SER N N 74 117.041 110.193 6.848 1
1 880 . 3 1 1 A 74 74 SER H H 74 10.002 7.662 2.340 1
1 881 . 3 1 1 A 74 74 SER CA C 74 57.539 57.452 0.087 1
1 882 . 3 1 1 A 74 74 SER HA H 74 4.556 4.548 0.008 1
1 883 . 3 1 1 A 74 74 SER CB C 74 66.372 65.382 0.990 1
1 886 . 3 1 1 A 74 74 SER C C 74 171.956 172.287 -0.331 1
1 887 . 3 1 1 A 75 75 TYR N N 75 113.320 123.659 -10.339 1
1 888 . 3 1 1 A 75 75 TYR H H 75 7.735 8.190 -0.455 1
1 889 . 3 1 1 A 75 75 TYR CA C 75 57.155 55.143 2.012 1
1 890 . 3 1 1 A 75 75 TYR HA H 75 5.229 5.700 -0.471 1
1 891 . 3 1 1 A 75 75 TYR CB C 75 40.745 41.672 -0.927 1
1 902 . 3 1 1 A 75 75 TYR C C 75 174.262 174.023 0.239 1
1 903 . 3 1 1 A 76 76 THR N N 76 117.158 114.509 2.649 1
1 904 . 3 1 1 A 76 76 THR H H 76 9.212 8.739 0.473 1
1 905 . 3 1 1 A 76 76 THR CA C 76 62.104 61.181 0.923 1
1 906 . 3 1 1 A 76 76 THR HA H 76 4.318 4.953 -0.635 1
1 907 . 3 1 1 A 76 76 THR CB C 76 72.675 71.273 1.402 1
1 913 . 3 1 1 A 76 76 THR C C 76 171.344 172.522 -1.178 1
1 914 . 3 1 1 A 77 77 ASP N N 77 125.875 125.678 0.197 1
1 915 . 3 1 1 A 77 77 ASP H H 77 8.569 8.658 -0.089 1
1 916 . 3 1 1 A 77 77 ASP CA C 77 52.422 52.694 -0.272 1
1 917 . 3 1 1 A 77 77 ASP HA H 77 5.865 4.885 0.980 1
1 918 . 3 1 1 A 77 77 ASP CB C 77 41.512 41.452 0.060 1
1 921 . 3 1 1 A 77 77 ASP C C 77 175.921 175.235 0.686 1
1 922 . 3 1 1 A 78 78 PHE N N 78 125.666 124.147 1.519 1
1 923 . 3 1 1 A 78 78 PHE H H 78 9.992 8.423 1.569 1
1 924 . 3 1 1 A 78 78 PHE CA C 78 55.578 56.219 -0.641 1
1 925 . 3 1 1 A 78 78 PHE HA H 78 4.943 4.890 0.053 1
1 926 . 3 1 1 A 78 78 PHE CB C 78 40.375 39.857 0.518 1
1 939 . 3 1 1 A 78 78 PHE C C 78 173.610 174.047 -0.437 1
1 940 . 3 1 1 A 79 79 PRO CA C 79 63.363 63.171 0.192 1
1 941 . 3 1 1 A 79 79 PRO HA H 79 4.615 4.608 0.007 1
1 942 . 3 1 1 A 79 79 PRO CB C 79 32.787 32.436 0.351 1
1 951 . 3 1 1 A 79 79 PRO C C 79 176.681 176.962 -0.281 1
1 952 . 3 1 1 A 80 80 CYS N N 80 117.289 122.238 -4.949 1
1 953 . 3 1 1 A 80 80 CYS H H 80 8.308 8.176 0.132 1
1 954 . 3 1 1 A 80 80 CYS CA C 80 57.675 59.898 -2.223 1
1 955 . 3 1 1 A 80 80 CYS HA H 80 5.242 4.975 0.267 1
1 956 . 3 1 1 A 80 80 CYS CB C 80 30.658 28.597 2.061 1
1 959 . 3 1 1 A 80 80 CYS C C 80 174.899 175.195 -0.296 1
1 960 . 3 1 1 A 81 81 GLN N N 81 122.188 123.367 -1.179 1
1 961 . 3 1 1 A 81 81 GLN H H 81 9.312 9.043 0.269 1
1 962 . 3 1 1 A 81 81 GLN CA C 81 54.620 55.555 -0.935 1
1 963 . 3 1 1 A 81 81 GLN HA H 81 4.911 4.795 0.116 1
1 964 . 3 1 1 A 81 81 GLN CB C 81 31.213 30.688 0.525 1
1 973 . 3 1 1 A 81 81 GLN C C 81 175.035 174.573 0.462 1
1 974 . 3 1 1 A 82 82 TYR N N 82 125.814 123.224 2.590 1
1 975 . 3 1 1 A 82 82 TYR H H 82 8.919 8.972 -0.053 1
1 976 . 3 1 1 A 82 82 TYR CA C 82 58.764 56.234 2.530 1
1 977 . 3 1 1 A 82 82 TYR HA H 82 3.403 5.130 -1.727 1
1 978 . 3 1 1 A 82 82 TYR CB C 82 38.346 41.161 -2.815 1
1 989 . 3 1 1 A 82 82 TYR C C 82 175.413 173.817 1.596 1
1 990 . 3 1 1 A 83 83 VAL N N 83 129.316 127.550 1.766 1
1 991 . 3 1 1 A 83 83 VAL H H 83 7.782 8.526 -0.744 1
1 992 . 3 1 1 A 83 83 VAL CA C 83 61.693 62.280 -0.587 1
1 993 . 3 1 1 A 83 83 VAL HA H 83 3.758 4.342 -0.584 1
1 994 . 3 1 1 A 83 83 VAL CB C 83 32.564 31.780 0.784 1
1 1004 . 3 1 1 A 83 83 VAL C C 83 173.771 175.694 -1.923 1
1 1005 . 3 1 1 A 84 84 LYS N N 84 126.665 125.667 0.998 1
1 1006 . 3 1 1 A 84 84 LYS H H 84 8.174 8.480 -0.306 1
1 1007 . 3 1 1 A 84 84 LYS CA C 84 56.144 55.653 0.491 1
1 1008 . 3 1 1 A 84 84 LYS HA H 84 4.016 4.706 -0.690 1
1 1009 . 3 1 1 A 84 84 LYS CB C 84 32.170 32.502 -0.332 1
1 1021 . 3 1 1 A 84 84 LYS C C 84 175.610 175.685 -0.075 1
1 1022 . 3 1 1 A 85 85 ASP N N 85 124.262 122.217 2.045 1
1 1023 . 3 1 1 A 85 85 ASP H H 85 7.864 7.600 0.264 1
1 1024 . 3 1 1 A 85 85 ASP CA C 85 53.349 54.469 -1.120 1
1 1025 . 3 1 1 A 85 85 ASP HA H 85 4.678 4.566 0.112 1
1 1026 . 3 1 1 A 85 85 ASP CB C 85 41.683 42.730 -1.047 1
1 1029 . 3 1 1 A 85 85 ASP C C 85 176.841 177.506 -0.665 1
1 1030 . 3 1 1 A 86 86 THR N N 86 113.656 119.774 -6.118 1
1 1031 . 3 1 1 A 86 86 THR H H 86 8.065 8.587 -0.522 1
1 1032 . 3 1 1 A 86 86 THR CA C 86 63.274 65.710 -2.436 1
1 1033 . 3 1 1 A 86 86 THR HA H 86 4.086 3.984 0.102 1
1 1034 . 3 1 1 A 86 86 THR CB C 86 69.257 69.296 -0.039 1
1 1040 . 3 1 1 A 86 86 THR C C 86 174.589 175.617 -1.028 1
1 1041 . 3 1 1 A 87 87 TYR N N 87 120.837 122.393 -1.556 1
1 1042 . 3 1 1 A 87 87 TYR H H 87 8.064 8.286 -0.222 1
1 1043 . 3 1 1 A 87 87 TYR CA C 87 58.054 62.133 -4.079 1
1 1044 . 3 1 1 A 87 87 TYR HA H 87 4.527 4.073 0.454 1
1 1045 . 3 1 1 A 87 87 TYR CB C 87 38.297 38.786 -0.489 1
1 1056 . 3 1 1 A 87 87 TYR C C 87 175.590 176.792 -1.202 1
1 1057 . 3 1 1 A 88 88 ALA N N 88 125.226 121.387 3.839 1
1 1058 . 3 1 1 A 88 88 ALA H H 88 7.963 7.591 0.372 1
1 1059 . 3 1 1 A 88 88 ALA CA C 88 53.104 51.628 1.476 1
1 1060 . 3 1 1 A 88 88 ALA HA H 88 4.389 4.215 0.174 1
1 1061 . 3 1 1 A 88 88 ALA CB C 88 19.127 18.365 0.762 1
1 1065 . 3 1 1 A 88 88 ALA C C 88 178.497 177.356 1.141 1
1 1066 . 3 1 1 A 89 89 GLY N N 89 109.029 111.501 -2.472 1
1 1067 . 3 1 1 A 89 89 GLY H H 89 8.479 8.212 0.267 1
1 1068 . 3 1 1 A 89 89 GLY CA C 89 45.426 44.416 1.010 1
1 1069 . 3 1 1 A 89 89 GLY HA2 H 89 3.952 4.015 -0.063 1
1 1070 . 3 1 1 A 89 89 GLY HA3 H 89 4.079 4.033 0.046 1
1 1071 . 3 1 1 A 89 89 GLY C C 89 174.563 174.773 -0.210 1
1 1072 . 3 1 1 A 90 90 SER N N 90 115.638 116.593 -0.955 1
1 1073 . 3 1 1 A 90 90 SER H H 90 8.232 8.306 -0.074 1
1 1074 . 3 1 1 A 90 90 SER CA C 90 58.443 60.392 -1.949 1
1 1075 . 3 1 1 A 90 90 SER HA H 90 4.574 4.612 -0.038 1
1 1076 . 3 1 1 A 90 90 SER CB C 90 63.865 64.469 -0.604 1
1 1079 . 3 1 1 A 90 90 SER C C 90 174.212 175.300 -1.088 1
1 1080 . 3 1 1 A 91 91 ASP N N 91 120.185 121.392 -1.207 1
1 1081 . 3 1 1 A 91 91 ASP H H 91 8.691 8.376 0.315 1
1 1082 . 3 1 1 A 91 91 ASP CA C 91 55.012 57.834 -2.822 1
1 1083 . 3 1 1 A 91 91 ASP HA H 91 4.684 4.321 0.363 1
1 1084 . 3 1 1 A 91 91 ASP CB C 91 40.643 40.428 0.215 1
1 1087 . 3 1 1 A 91 91 ASP C C 91 176.350 177.036 -0.686 1
1 1088 . 3 1 1 A 92 92 ARG N N 92 119.690 117.888 1.802 1
1 1089 . 3 1 1 A 92 92 ARG H H 92 8.072 7.948 0.124 1
1 1090 . 3 1 1 A 92 92 ARG CA C 92 54.941 55.625 -0.684 1
1 1091 . 3 1 1 A 92 92 ARG HA H 92 5.022 4.602 0.420 1
1 1092 . 3 1 1 A 92 92 ARG CB C 92 32.816 30.961 1.855 1
1 1101 . 3 1 1 A 92 92 ARG C C 92 174.072 174.502 -0.430 1
1 1102 . 3 1 1 A 93 93 ASP N N 93 119.716 125.089 -5.373 1
1 1103 . 3 1 1 A 93 93 ASP H H 93 8.550 8.979 -0.429 1
1 1104 . 3 1 1 A 93 93 ASP CA C 93 53.411 53.775 -0.364 1
1 1105 . 3 1 1 A 93 93 ASP HA H 93 5.108 4.856 0.252 1
1 1106 . 3 1 1 A 93 93 ASP CB C 93 46.005 41.941 4.064 1
1 1109 . 3 1 1 A 93 93 ASP C C 93 174.776 175.246 -0.470 1
1 1110 . 3 1 1 A 94 94 THR N N 94 116.481 119.294 -2.813 1
1 1111 . 3 1 1 A 94 94 THR H H 94 8.932 8.426 0.506 1
1 1112 . 3 1 1 A 94 94 THR CA C 94 62.287 61.533 0.754 1
1 1113 . 3 1 1 A 94 94 THR HA H 94 5.232 4.735 0.497 1
1 1114 . 3 1 1 A 94 94 THR CB C 94 70.008 69.388 0.620 1
1 1120 . 3 1 1 A 94 94 THR C C 94 171.982 173.621 -1.639 1
1 1121 . 3 1 1 A 95 95 PHE N N 95 124.488 126.842 -2.354 1
1 1122 . 3 1 1 A 95 95 PHE H H 95 9.347 9.031 0.316 1
1 1123 . 3 1 1 A 95 95 PHE CA C 95 55.834 56.553 -0.719 1
1 1124 . 3 1 1 A 95 95 PHE HA H 95 5.321 4.946 0.375 1
1 1125 . 3 1 1 A 95 95 PHE CB C 95 43.478 41.729 1.749 1
1 1138 . 3 1 1 A 95 95 PHE C C 95 174.780 175.125 -0.345 1
1 1139 . 3 1 1 A 96 96 SER N N 96 117.417 115.195 2.222 1
1 1140 . 3 1 1 A 96 96 SER H H 96 10.108 9.112 0.996 1
1 1141 . 3 1 1 A 96 96 SER CA C 96 56.388 55.642 0.746 1
1 1142 . 3 1 1 A 96 96 SER HA H 96 5.575 5.572 0.003 1
1 1143 . 3 1 1 A 96 96 SER CB C 96 67.188 66.269 0.919 1
1 1146 . 3 1 1 A 96 96 SER C C 96 173.079 174.066 -0.987 1
1 1147 . 3 1 1 A 97 97 PHE N N 97 114.813 117.279 -2.466 1
1 1148 . 3 1 1 A 97 97 PHE H H 97 7.991 8.616 -0.625 1
1 1149 . 3 1 1 A 97 97 PHE CA C 97 56.003 55.450 0.553 1
1 1150 . 3 1 1 A 97 97 PHE HA H 97 5.249 5.573 -0.324 1
1 1151 . 3 1 1 A 97 97 PHE CB C 97 42.008 42.754 -0.746 1
1 1164 . 3 1 1 A 97 97 PHE C C 97 174.316 172.997 1.319 1
1 1165 . 3 1 1 A 98 98 ASP N N 98 121.809 118.498 3.311 1
1 1166 . 3 1 1 A 98 98 ASP H H 98 8.297 8.974 -0.677 1
1 1167 . 3 1 1 A 98 98 ASP CA C 98 54.789 52.787 2.002 1
1 1168 . 3 1 1 A 98 98 ASP HA H 98 5.006 5.604 -0.598 1
1 1169 . 3 1 1 A 98 98 ASP CB C 98 42.282 42.414 -0.132 1
1 1172 . 3 1 1 A 98 98 ASP C C 98 174.959 174.303 0.656 1
1 1173 . 3 1 1 A 99 99 ILE N N 99 126.714 126.200 0.514 1
1 1174 . 3 1 1 A 99 99 ILE H H 99 9.331 8.951 0.380 1
1 1175 . 3 1 1 A 99 99 ILE CA C 99 60.455 60.112 0.343 1
1 1176 . 3 1 1 A 99 99 ILE HA H 99 4.016 4.513 -0.497 1
1 1177 . 3 1 1 A 99 99 ILE CB C 99 42.110 39.840 2.270 1
1 1190 . 3 1 1 A 99 99 ILE C C 99 175.019 175.145 -0.126 1
1 1191 . 3 1 1 A 100 100 SER N N 100 122.590 121.813 0.777 1
1 1192 . 3 1 1 A 100 100 SER H H 100 8.345 8.643 -0.298 1
1 1193 . 3 1 1 A 100 100 SER CA C 100 58.848 56.682 2.166 1
1 1194 . 3 1 1 A 100 100 SER HA H 100 4.527 4.993 -0.466 1
1 1195 . 3 1 1 A 100 100 SER CB C 100 63.482 64.119 -0.637 1
1 1198 . 3 1 1 A 100 100 SER C C 100 173.557 174.466 -0.909 1
1 1199 . 3 1 1 A 101 101 LEU N N 101 124.776 126.148 -1.372 1
1 1200 . 3 1 1 A 101 101 LEU H H 101 8.277 8.924 -0.647 1
1 1201 . 3 1 1 A 101 101 LEU CA C 101 52.430 53.616 -1.186 1
1 1202 . 3 1 1 A 101 101 LEU HA H 101 4.375 4.433 -0.058 1
1 1203 . 3 1 1 A 101 101 LEU CB C 101 40.427 40.940 -0.513 1
1 1216 . 3 1 1 A 101 101 LEU C C 101 174.363 174.731 -0.368 1
1 1217 . 3 1 1 A 102 102 PRO CA C 102 62.488 62.096 0.392 1
1 1218 . 3 1 1 A 102 102 PRO HA H 102 4.259 4.337 -0.078 1
1 1219 . 3 1 1 A 102 102 PRO CB C 102 32.073 32.993 -0.920 1
1 1228 . 3 1 1 A 102 102 PRO C C 102 175.687 176.943 -1.256 1
1 1229 . 3 1 1 A 103 103 GLU N N 103 118.843 119.386 -0.543 1
1 1230 . 3 1 1 A 103 103 GLU H H 103 8.286 8.372 -0.086 1
1 1231 . 3 1 1 A 103 103 GLU CA C 103 58.131 58.904 -0.773 1
1 1232 . 3 1 1 A 103 103 GLU HA H 103 4.013 4.162 -0.149 1
1 1233 . 3 1 1 A 103 103 GLU CB C 103 30.344 29.374 0.970 1
1 1239 . 3 1 1 A 103 103 GLU C C 103 176.869 176.179 0.690 1
1 1240 . 3 1 1 A 104 104 LYS N N 104 116.544 118.004 -1.460 1
1 1241 . 3 1 1 A 104 104 LYS H H 104 7.869 7.715 0.154 1
1 1242 . 3 1 1 A 104 104 LYS CA C 104 55.314 55.153 0.161 1
1 1243 . 3 1 1 A 104 104 LYS HA H 104 4.474 4.976 -0.502 1
1 1244 . 3 1 1 A 104 104 LYS CB C 104 33.428 37.446 -4.018 1
1 1256 . 3 1 1 A 104 104 LYS C C 104 175.231 174.794 0.437 1
1 1257 . 3 1 1 A 105 105 ILE N N 105 122.507 121.607 0.900 1
1 1258 . 3 1 1 A 105 105 ILE H H 105 8.236 8.763 -0.527 1
1 1259 . 3 1 1 A 105 105 ILE CA C 105 60.636 60.530 0.106 1
1 1260 . 3 1 1 A 105 105 ILE HA H 105 4.190 5.253 -1.063 1
1 1261 . 3 1 1 A 105 105 ILE CB C 105 39.685 42.031 -2.346 1
1 1274 . 3 1 1 A 105 105 ILE C C 105 176.091 174.660 1.431 1
1 1275 . 3 1 1 A 106 106 GLN N N 106 124.467 125.934 -1.467 1
1 1276 . 3 1 1 A 106 106 GLN H H 106 8.752 8.447 0.305 1
1 1277 . 3 1 1 A 106 106 GLN CA C 106 56.244 53.959 2.285 1
1 1278 . 3 1 1 A 106 106 GLN HA H 106 4.243 4.881 -0.638 1
1 1279 . 3 1 1 A 106 106 GLN CB C 106 28.717 32.361 -3.644 1
1 1288 . 3 1 1 A 106 106 GLN C C 106 177.593 176.011 1.582 1
1 1289 . 3 1 1 A 107 107 SER N N 107 116.963 118.287 -1.324 1
1 1290 . 3 1 1 A 107 107 SER H H 107 8.623 9.056 -0.433 1
1 1291 . 3 1 1 A 107 107 SER CA C 107 60.530 61.507 -0.977 1
1 1292 . 3 1 1 A 107 107 SER HA H 107 4.152 4.291 -0.139 1
1 1293 . 3 1 1 A 107 107 SER CB C 107 63.187 63.053 0.134 1
1 1296 . 3 1 1 A 107 107 SER C C 107 174.222 176.365 -2.143 1
1 1297 . 3 1 1 A 108 108 TYR N N 108 116.323 119.425 -3.102 1
1 1298 . 3 1 1 A 108 108 TYR H H 108 7.330 8.306 -0.976 1
1 1299 . 3 1 1 A 108 108 TYR CA C 108 56.727 60.948 -4.221 1
1 1300 . 3 1 1 A 108 108 TYR HA H 108 4.655 4.396 0.259 1
1 1301 . 3 1 1 A 108 108 TYR CB C 108 37.491 37.476 0.015 1
1 1312 . 3 1 1 A 108 108 TYR C C 108 175.768 176.000 -0.232 1
1 1313 . 3 1 1 A 109 109 GLU N N 109 120.523 116.623 3.900 1
1 1314 . 3 1 1 A 109 109 GLU H H 109 7.587 7.064 0.523 1
1 1315 . 3 1 1 A 109 109 GLU CA C 109 55.573 54.893 0.680 1
1 1316 . 3 1 1 A 109 109 GLU HA H 109 4.582 4.400 0.182 1
1 1317 . 3 1 1 A 109 109 GLU CB C 109 31.360 30.357 1.003 1
1 1323 . 3 1 1 A 109 109 GLU C C 109 176.013 175.225 0.788 1
1 1324 . 3 1 1 A 110 110 ARG N N 110 118.559 125.671 -7.112 1
1 1325 . 3 1 1 A 110 110 ARG H H 110 8.441 8.679 -0.238 1
1 1326 . 3 1 1 A 110 110 ARG CA C 110 55.667 56.468 -0.801 1
1 1327 . 3 1 1 A 110 110 ARG HA H 110 4.786 4.607 0.179 1
1 1328 . 3 1 1 A 110 110 ARG CB C 110 32.404 30.992 1.412 1
1 1339 . 3 1 1 A 110 110 ARG C C 110 174.387 174.662 -0.275 1
1 1340 . 3 1 1 A 111 111 MET N N 111 122.471 125.821 -3.350 1
1 1341 . 3 1 1 A 111 111 MET H H 111 8.665 8.934 -0.269 1
1 1342 . 3 1 1 A 111 111 MET CA C 111 54.151 53.782 0.369 1
1 1343 . 3 1 1 A 111 111 MET HA H 111 5.167 4.968 0.199 1
1 1344 . 3 1 1 A 111 111 MET CB C 111 35.735 34.900 0.835 1
1 1354 . 3 1 1 A 111 111 MET C C 111 174.924 174.667 0.257 1
1 1355 . 3 1 1 A 112 112 GLU N N 112 119.500 125.489 -5.989 1
1 1356 . 3 1 1 A 112 112 GLU H H 112 7.951 8.503 -0.552 1
1 1357 . 3 1 1 A 112 112 GLU CA C 112 53.909 54.905 -0.996 1
1 1358 . 3 1 1 A 112 112 GLU HA H 112 5.662 5.112 0.550 1
1 1359 . 3 1 1 A 112 112 GLU CB C 112 35.198 34.858 0.340 1
1 1365 . 3 1 1 A 112 112 GLU C C 112 174.483 174.955 -0.472 1
1 1366 . 3 1 1 A 113 113 PHE N N 113 115.033 118.111 -3.078 1
1 1367 . 3 1 1 A 113 113 PHE H H 113 9.278 8.802 0.476 1
1 1368 . 3 1 1 A 113 113 PHE CA C 113 55.857 55.946 -0.089 1
1 1369 . 3 1 1 A 113 113 PHE HA H 113 6.262 5.619 0.643 1
1 1370 . 3 1 1 A 113 113 PHE CB C 113 43.656 42.829 0.827 1
1 1383 . 3 1 1 A 113 113 PHE C C 113 172.253 172.856 -0.603 1
1 1384 . 3 1 1 A 114 114 ALA N N 114 121.461 121.714 -0.253 1
1 1385 . 3 1 1 A 114 114 ALA H H 114 9.475 8.917 0.558 1
1 1386 . 3 1 1 A 114 114 ALA CA C 114 50.860 50.994 -0.134 1
1 1387 . 3 1 1 A 114 114 ALA HA H 114 5.026 5.319 -0.293 1
1 1388 . 3 1 1 A 114 114 ALA CB C 114 23.129 22.865 0.264 1
1 1392 . 3 1 1 A 114 114 ALA C C 114 174.903 176.752 -1.849 1
1 1393 . 3 1 1 A 115 115 VAL N N 115 120.899 123.012 -2.113 1
1 1394 . 3 1 1 A 115 115 VAL H H 115 8.928 8.743 0.185 1
1 1395 . 3 1 1 A 115 115 VAL CA C 115 61.379 63.406 -2.027 1
1 1396 . 3 1 1 A 115 115 VAL HA H 115 4.798 4.311 0.487 1
1 1397 . 3 1 1 A 115 115 VAL CB C 115 34.712 32.495 2.217 1
1 1407 . 3 1 1 A 115 115 VAL C C 115 174.444 174.927 -0.483 1
1 1408 . 3 1 1 A 116 116 TYR N N 116 123.426 128.019 -4.593 1
1 1409 . 3 1 1 A 116 116 TYR H H 116 8.963 8.553 0.410 1
1 1410 . 3 1 1 A 116 116 TYR CA C 116 55.480 54.319 1.161 1
1 1411 . 3 1 1 A 116 116 TYR HA H 116 5.081 4.672 0.409 1
1 1412 . 3 1 1 A 116 116 TYR CB C 116 38.928 39.874 -0.946 1
1 1423 . 3 1 1 A 116 116 TYR C C 116 172.208 173.034 -0.826 1
1 1424 . 3 1 1 A 117 117 TYR N N 117 123.249 129.995 -6.746 1
1 1425 . 3 1 1 A 117 117 TYR H H 117 8.858 8.939 -0.081 1
1 1426 . 3 1 1 A 117 117 TYR CA C 117 52.371 56.567 -4.196 1
1 1427 . 3 1 1 A 117 117 TYR HA H 117 5.528 4.757 0.771 1
1 1428 . 3 1 1 A 117 117 TYR CB C 117 41.509 40.388 1.121 1
1 1439 . 3 1 1 A 117 117 TYR C C 117 173.159 173.613 -0.454 1
1 1440 . 3 1 1 A 118 118 GLU N N 118 127.681 127.254 0.427 1
1 1441 . 3 1 1 A 118 118 GLU H H 118 9.368 8.823 0.545 1
1 1442 . 3 1 1 A 118 118 GLU CA C 118 54.179 54.809 -0.630 1
1 1443 . 3 1 1 A 118 118 GLU HA H 118 5.085 4.898 0.187 1
1 1444 . 3 1 1 A 118 118 GLU CB C 118 32.099 32.287 -0.188 1
1 1450 . 3 1 1 A 118 118 GLU C C 118 175.565 174.817 0.748 1
1 1451 . 3 1 1 A 119 119 CYS N N 119 122.152 124.109 -1.957 1
1 1452 . 3 1 1 A 119 119 CYS H H 119 8.323 8.133 0.190 1
1 1453 . 3 1 1 A 119 119 CYS CA C 119 58.248 58.497 -0.249 1
1 1454 . 3 1 1 A 119 119 CYS HA H 119 4.479 4.579 -0.100 1
1 1455 . 3 1 1 A 119 119 CYS CB C 119 29.065 30.780 -1.715 1
1 1458 . 3 1 1 A 119 119 CYS C C 119 174.586 173.100 1.486 1
1 1459 . 3 1 1 A 120 120 ASN N N 120 126.917 125.079 1.838 1
1 1460 . 3 1 1 A 120 120 ASN H H 120 9.858 9.266 0.592 1
1 1461 . 3 1 1 A 120 120 ASN CA C 120 53.735 54.492 -0.757 1
1 1462 . 3 1 1 A 120 120 ASN HA H 120 4.342 4.413 -0.071 1
1 1463 . 3 1 1 A 120 120 ASN CB C 120 37.873 37.394 0.479 1
1 1469 . 3 1 1 A 120 120 ASN C C 120 174.943 175.345 -0.402 1
1 1470 . 3 1 1 A 121 121 GLY N N 121 104.866 103.851 1.015 1
1 1471 . 3 1 1 A 121 121 GLY H H 121 8.776 8.598 0.178 1
1 1472 . 3 1 1 A 121 121 GLY CA C 121 45.586 46.552 -0.966 1
1 1473 . 3 1 1 A 121 121 GLY HA2 H 121 4.041 3.855 0.186 1
1 1474 . 3 1 1 A 121 121 GLY HA3 H 121 3.553 3.864 -0.311 1
1 1475 . 3 1 1 A 121 121 GLY C C 121 173.804 173.694 0.110 1
1 1476 . 3 1 1 A 122 122 GLN N N 122 119.988 118.608 1.380 1
1 1477 . 3 1 1 A 122 122 GLN H H 122 7.677 7.560 0.117 1
1 1478 . 3 1 1 A 122 122 GLN CA C 122 53.624 53.433 0.191 1
1 1479 . 3 1 1 A 122 122 GLN HA H 122 4.395 4.768 -0.373 1
1 1480 . 3 1 1 A 122 122 GLN CB C 122 31.456 32.523 -1.067 1
1 1489 . 3 1 1 A 122 122 GLN C C 122 174.029 174.061 -0.032 1
1 1490 . 3 1 1 A 123 123 THR N N 123 116.337 115.344 0.993 1
1 1491 . 3 1 1 A 123 123 THR H H 123 7.990 8.239 -0.249 1
1 1492 . 3 1 1 A 123 123 THR CA C 123 61.935 60.806 1.129 1
1 1493 . 3 1 1 A 123 123 THR HA H 123 4.620 4.832 -0.212 1
1 1494 . 3 1 1 A 123 123 THR CB C 123 70.005 71.148 -1.143 1
1 1500 . 3 1 1 A 123 123 THR C C 123 172.596 173.012 -0.416 1
1 1501 . 3 1 1 A 124 124 TYR N N 124 128.915 124.356 4.559 1
1 1502 . 3 1 1 A 124 124 TYR H H 124 9.416 9.127 0.289 1
1 1503 . 3 1 1 A 124 124 TYR CA C 124 56.388 56.328 0.060 1
1 1504 . 3 1 1 A 124 124 TYR HA H 124 4.962 5.486 -0.524 1
1 1505 . 3 1 1 A 124 124 TYR CB C 124 40.688 41.095 -0.407 1
1 1516 . 3 1 1 A 124 124 TYR C C 124 174.284 174.531 -0.247 1
1 1517 . 3 1 1 A 125 125 TRP N N 125 119.850 123.977 -4.127 1
1 1518 . 3 1 1 A 125 125 TRP H H 125 8.738 9.291 -0.553 1
1 1519 . 3 1 1 A 125 125 TRP CA C 125 56.940 55.665 1.275 1
1 1520 . 3 1 1 A 125 125 TRP HA H 125 5.388 5.548 -0.160 1
1 1521 . 3 1 1 A 125 125 TRP CB C 125 33.031 31.320 1.711 1
1 1536 . 3 1 1 A 125 125 TRP C C 125 176.973 174.846 2.127 1
1 1537 . 3 1 1 A 126 126 ASP N N 126 118.759 126.651 -7.892 1
1 1538 . 3 1 1 A 126 126 ASP H H 126 9.436 8.978 0.458 1
1 1539 . 3 1 1 A 126 126 ASP CA C 126 53.968 52.622 1.346 1
1 1540 . 3 1 1 A 126 126 ASP HA H 126 5.213 5.223 -0.010 1
1 1541 . 3 1 1 A 126 126 ASP CB C 126 42.641 41.827 0.814 1
1 1544 . 3 1 1 A 126 126 ASP C C 126 176.043 174.569 1.474 1
1 1545 . 3 1 1 A 127 127 SER N N 127 119.074 120.428 -1.354 1
1 1546 . 3 1 1 A 127 127 SER H H 127 8.520 8.578 -0.058 1
1 1547 . 3 1 1 A 127 127 SER CA C 127 55.118 56.724 -1.606 1
1 1548 . 3 1 1 A 127 127 SER HA H 127 4.811 4.998 -0.187 1
1 1549 . 3 1 1 A 127 127 SER CB C 127 63.866 64.485 -0.619 1
1 1552 . 3 1 1 A 127 127 SER C C 127 175.840 174.233 1.607 1
1 1553 . 3 1 1 A 128 128 ASN N N 128 124.865 120.914 3.951 1
1 1554 . 3 1 1 A 128 128 ASN H H 128 9.242 7.847 1.395 1
1 1555 . 3 1 1 A 128 128 ASN CA C 128 53.224 53.013 0.211 1
1 1556 . 3 1 1 A 128 128 ASN HA H 128 4.071 3.338 0.733 1
1 1557 . 3 1 1 A 128 128 ASN CB C 128 34.281 35.283 -1.002 1
1 1563 . 3 1 1 A 128 128 ASN C C 128 176.607 175.242 1.365 1
1 1564 . 3 1 1 A 129 129 ARG N N 129 114.718 117.766 -3.048 1
1 1565 . 3 1 1 A 129 129 ARG H H 129 9.475 7.438 2.037 1
1 1566 . 3 1 1 A 129 129 ARG CA C 129 56.798 56.802 -0.004 1
1 1567 . 3 1 1 A 129 129 ARG HA H 129 3.774 3.940 -0.166 1
1 1568 . 3 1 1 A 129 129 ARG CB C 129 27.145 28.049 -0.904 1
1 1579 . 3 1 1 A 129 129 ARG C C 129 176.132 174.998 1.134 1
1 1580 . 3 1 1 A 130 130 GLY N N 130 106.337 107.272 -0.935 1
1 1581 . 3 1 1 A 130 130 GLY H H 130 7.568 7.957 -0.389 1
1 1582 . 3 1 1 A 130 130 GLY CA C 130 44.896 46.054 -1.158 1
1 1583 . 3 1 1 A 130 130 GLY HA2 H 130 4.103 4.086 0.017 1
1 1584 . 3 1 1 A 130 130 GLY HA3 H 130 3.425 4.108 -0.683 1
1 1585 . 3 1 1 A 130 130 GLY C C 130 174.521 173.945 0.576 1
1 1586 . 3 1 1 A 131 131 LYS N N 131 119.902 123.981 -4.079 1
1 1587 . 3 1 1 A 131 131 LYS H H 131 7.278 8.296 -1.018 1
1 1588 . 3 1 1 A 131 131 LYS CA C 131 57.336 57.007 0.329 1
1 1589 . 3 1 1 A 131 131 LYS HA H 131 4.132 4.274 -0.142 1
1 1590 . 3 1 1 A 131 131 LYS CB C 131 33.719 34.044 -0.325 1
1 1602 . 3 1 1 A 131 131 LYS C C 131 177.813 176.085 1.728 1
1 1603 . 3 1 1 A 132 132 ASN N N 132 107.489 113.647 -6.158 1
1 1604 . 3 1 1 A 132 132 ASN H H 132 8.268 7.517 0.751 1
1 1605 . 3 1 1 A 132 132 ASN CA C 132 54.717 52.565 2.152 1
1 1606 . 3 1 1 A 132 132 ASN HA H 132 3.691 4.862 -1.171 1
1 1607 . 3 1 1 A 132 132 ASN CB C 132 39.462 41.803 -2.341 1
1 1613 . 3 1 1 A 132 132 ASN C C 132 172.611 172.734 -0.123 1
1 1614 . 3 1 1 A 133 133 TYR N N 133 120.541 119.440 1.101 1
1 1615 . 3 1 1 A 133 133 TYR H H 133 8.696 8.442 0.254 1
1 1616 . 3 1 1 A 133 133 TYR CA C 133 58.334 56.969 1.365 1
1 1617 . 3 1 1 A 133 133 TYR HA H 133 3.879 4.655 -0.776 1
1 1618 . 3 1 1 A 133 133 TYR CB C 133 35.955 37.649 -1.694 1
1 1627 . 3 1 1 A 133 133 TYR C C 133 175.026 174.689 0.337 1
1 1628 . 3 1 1 A 134 134 ARG N N 134 123.205 126.078 -2.873 1
1 1629 . 3 1 1 A 134 134 ARG H H 134 8.584 8.867 -0.283 1
1 1630 . 3 1 1 A 134 134 ARG CA C 134 56.025 56.479 -0.454 1
1 1631 . 3 1 1 A 134 134 ARG HA H 134 5.043 4.748 0.295 1
1 1632 . 3 1 1 A 134 134 ARG CB C 134 32.734 30.871 1.863 1
1 1643 . 3 1 1 A 134 134 ARG C C 134 174.511 175.288 -0.777 1
1 1644 . 3 1 1 A 135 135 ILE N N 135 124.430 129.029 -4.599 1
1 1645 . 3 1 1 A 135 135 ILE H H 135 8.429 8.576 -0.147 1
1 1646 . 3 1 1 A 135 135 ILE CA C 135 61.078 59.966 1.112 1
1 1647 . 3 1 1 A 135 135 ILE HA H 135 4.797 4.839 -0.042 1
1 1648 . 3 1 1 A 135 135 ILE CB C 135 39.875 38.350 1.525 1
1 1661 . 3 1 1 A 135 135 ILE C C 135 175.279 175.968 -0.689 1
1 1662 . 3 1 1 A 136 136 ILE N N 136 120.496 123.355 -2.859 1
1 1663 . 3 1 1 A 136 136 ILE H H 136 9.000 8.521 0.479 1
1 1664 . 3 1 1 A 136 136 ILE CA C 136 59.359 59.128 0.231 1
1 1665 . 3 1 1 A 136 136 ILE HA H 136 5.028 5.271 -0.243 1
1 1666 . 3 1 1 A 136 136 ILE CB C 136 42.170 40.863 1.307 1
1 1679 . 3 1 1 A 136 136 ILE C C 136 175.144 175.095 0.049 1
1 1680 . 3 1 1 A 137 137 ARG N N 137 122.183 123.670 -1.487 1
1 1681 . 3 1 1 A 137 137 ARG H H 137 8.535 8.730 -0.195 1
1 1682 . 3 1 1 A 137 137 ARG CA C 137 56.339 55.262 1.077 1
1 1683 . 3 1 1 A 137 137 ARG HA H 137 4.402 4.366 0.036 1
1 1684 . 3 1 1 A 137 137 ARG CB C 137 30.696 31.515 -0.819 1
1 1695 . 3 1 1 A 137 137 ARG C C 137 176.646 177.644 -0.998 1
1 1696 . 3 1 1 A 138 138 ALA N N 138 126.694 127.649 -0.955 1
1 1697 . 3 1 1 A 138 138 ALA H H 138 8.353 8.523 -0.170 1
1 1698 . 3 1 1 A 138 138 ALA CA C 138 52.808 54.851 -2.043 1
1 1699 . 3 1 1 A 138 138 ALA HA H 138 4.134 3.944 0.190 1
1 1700 . 3 1 1 A 138 138 ALA CB C 138 19.536 18.115 1.421 1
1 1704 . 3 1 1 A 138 138 ALA C C 138 177.637 179.427 -1.790 1
1 1705 . 3 1 1 A 139 139 GLU N N 139 119.890 116.412 3.478 1
1 1706 . 3 1 1 A 139 139 GLU H H 139 8.615 8.132 0.483 1
1 1707 . 3 1 1 A 139 139 GLU CA C 139 56.586 59.171 -2.585 1
1 1708 . 3 1 1 A 139 139 GLU HA H 139 4.268 4.064 0.204 1
1 1709 . 3 1 1 A 139 139 GLU CB C 139 30.137 29.008 1.129 1
1 1715 . 3 1 1 A 139 139 GLU C C 139 176.488 178.684 -2.196 1
1 1716 . 3 1 1 A 140 140 LEU N N 140 123.350 119.885 3.465 1
1 1717 . 3 1 1 A 140 140 LEU H H 140 8.224 7.856 0.368 1
1 1718 . 3 1 1 A 140 140 LEU CA C 140 55.185 57.858 -2.673 1
1 1719 . 3 1 1 A 140 140 LEU HA H 140 4.339 4.040 0.299 1
1 1720 . 3 1 1 A 140 140 LEU CB C 140 42.294 41.833 0.461 1
1 1733 . 3 1 1 A 140 140 LEU C C 140 177.456 177.558 -0.102 1
1 1734 . 3 1 1 A 141 141 LYS N N 141 122.155 118.190 3.965 1
1 1735 . 3 1 1 A 141 141 LYS H H 141 8.239 7.695 0.544 1
1 1736 . 3 1 1 A 141 141 LYS CA C 141 56.480 55.691 0.789 1
1 1737 . 3 1 1 A 141 141 LYS HA H 141 4.309 4.349 -0.040 1
1 1738 . 3 1 1 A 141 141 LYS CB C 141 32.976 33.030 -0.054 1
1 1750 . 3 1 1 A 141 141 LYS C C 141 176.734 175.977 0.757 1
1 1751 . 3 1 1 A 142 142 SER N N 142 116.816 119.110 -2.294 1
1 1752 . 3 1 1 A 142 142 SER H H 142 8.369 8.841 -0.472 1
1 1753 . 3 1 1 A 142 142 SER CA C 142 58.425 56.967 1.458 1
1 1754 . 3 1 1 A 142 142 SER HA H 142 4.529 4.848 -0.319 1
1 1755 . 3 1 1 A 142 142 SER CB C 142 63.836 65.111 -1.275 1
1 1758 . 3 1 1 A 142 142 SER C C 142 175.185 174.087 1.098 1
1 1759 . 3 1 1 A 143 143 THR N N 143 115.566 111.967 3.599 1
1 1760 . 3 1 1 A 143 143 THR H H 143 8.235 8.474 -0.239 1
1 1761 . 3 1 1 A 143 143 THR CA C 143 61.999 62.721 -0.722 1
1 1762 . 3 1 1 A 143 143 THR HA H 143 4.389 3.921 0.468 1
1 1763 . 3 1 1 A 143 143 THR CB C 143 69.634 66.622 3.012 1
1 1769 . 3 1 1 A 143 143 THR C C 143 174.937 173.530 1.407 1
1 1770 . 3 1 1 A 144 144 GLN N N 144 122.469 118.495 3.974 1
1 1771 . 3 1 1 A 144 144 GLN H H 144 8.345 8.022 0.323 1
1 1772 . 3 1 1 A 144 144 GLN CA C 144 56.480 55.187 1.293 1
1 1773 . 3 1 1 A 144 144 GLN HA H 144 4.307 4.580 -0.273 1
1 1774 . 3 1 1 A 144 144 GLN CB C 144 29.307 30.523 -1.216 1
1 1783 . 3 1 1 A 144 144 GLN C C 144 176.536 176.614 -0.078 1
1 1784 . 3 1 1 A 145 145 GLY N N 145 110.021 110.170 -0.149 1
1 1785 . 3 1 1 A 145 145 GLY H H 145 8.461 8.714 -0.253 1
1 1786 . 3 1 1 A 145 145 GLY CA C 145 45.355 46.606 -1.251 1
1 1787 . 3 1 1 A 145 145 GLY HA2 H 145 3.967 3.884 0.083 1
1 1788 . 3 1 1 A 145 145 GLY HA3 H 145 3.967 3.886 0.081 1
1 1789 . 3 1 1 A 145 145 GLY C C 145 174.123 173.751 0.372 1
1 1790 . 3 1 1 A 146 146 MET N N 146 119.836 122.117 -2.281 1
1 1791 . 3 1 1 A 146 146 MET H H 146 8.197 8.487 -0.290 1
1 1792 . 3 1 1 A 146 146 MET CA C 146 55.594 56.016 -0.422 1
1 1793 . 3 1 1 A 146 146 MET HA H 146 4.538 4.595 -0.057 1
1 1794 . 3 1 1 A 146 146 MET CB C 146 33.090 33.386 -0.296 1
1 1804 . 3 1 1 A 146 146 MET C C 146 176.454 175.452 1.002 1
1 1805 . 3 1 1 A 147 147 THR N N 147 116.248 115.027 1.221 1
1 1806 . 3 1 1 A 147 147 THR H H 147 8.239 8.433 -0.194 1
1 1807 . 3 1 1 A 147 147 THR CA C 147 61.959 60.365 1.594 1
1 1808 . 3 1 1 A 147 147 THR HA H 147 4.318 4.981 -0.663 1
1 1809 . 3 1 1 A 147 147 THR CB C 147 69.875 72.395 -2.520 1
1 1815 . 3 1 1 A 147 147 THR C C 147 174.141 172.944 1.197 1
1 1816 . 3 1 1 A 148 148 LYS N N 148 125.399 125.219 0.180 1
1 1817 . 3 1 1 A 148 148 LYS H H 148 8.387 8.208 0.179 1
1 1818 . 3 1 1 A 148 148 LYS CA C 148 54.186 55.542 -1.356 1
1 1819 . 3 1 1 A 148 148 LYS HA H 148 4.617 4.256 0.361 1
1 1820 . 3 1 1 A 148 148 LYS CB C 148 32.651 32.604 0.047 1
1 1832 . 3 1 1 A 148 148 LYS C C 148 174.388 176.007 -1.619 1
1 1833 . 3 1 1 A 149 149 PRO CA C 149 63.178 62.731 0.447 1
1 1834 . 3 1 1 A 149 149 PRO HA H 149 4.406 4.592 -0.186 1
1 1835 . 3 1 1 A 149 149 PRO CB C 149 32.164 31.819 0.345 1
1 1844 . 3 1 1 A 150 150 HIS CA C 150 56.264 54.369 1.895 1
1 1845 . 3 1 1 A 150 150 HIS HA H 150 4.626 4.785 -0.159 1
1 1846 . 3 1 1 A 150 150 HIS CB C 150 30.574 31.108 -0.534 1
1 1852 . 3 1 1 A 151 151 SER CA C 151 58.018 59.271 -1.253 1
1 1853 . 3 1 1 A 151 151 SER HA H 151 4.475 4.370 0.105 1
1 1854 . 3 1 1 A 151 151 SER CB C 151 64.139 64.030 0.109 1
1 1856 . 3 1 1 A 151 151 SER C C 151 174.253 174.298 -0.045 1
1 1857 . 3 1 1 A 152 152 GLY N N 152 110.964 113.145 -2.181 1
1 1858 . 3 1 1 A 152 152 GLY H H 152 8.276 8.554 -0.278 1
1 1859 . 3 1 1 A 152 152 GLY CA C 152 44.637 44.543 0.094 1
1 1860 . 3 1 1 A 152 152 GLY HA2 H 152 4.120 4.176 -0.056 1
1 1861 . 3 1 1 A 152 152 GLY HA3 H 152 4.120 4.203 -0.083 1
1 1862 . 3 1 1 A 152 152 GLY C C 152 171.668 173.923 -2.255 1
1 1863 . 3 1 1 A 153 153 PRO CA C 153 63.147 62.751 0.396 1
1 1864 . 3 1 1 A 153 153 PRO HA H 153 4.425 4.717 -0.292 1
1 1865 . 3 1 1 A 153 153 PRO CB C 153 32.149 33.126 -0.977 1
1 1874 . 3 1 1 A 153 153 PRO C C 153 176.656 175.654 1.002 1
1 1875 . 3 1 1 A 154 154 ASP N N 154 120.420 118.561 1.859 1
1 1876 . 3 1 1 A 154 154 ASP H H 154 8.463 8.666 -0.203 1
1 1877 . 3 1 1 A 154 154 ASP CA C 154 54.429 52.842 1.587 1
1 1878 . 3 1 1 A 154 154 ASP HA H 154 4.575 5.246 -0.671 1
1 1879 . 3 1 1 A 154 154 ASP CB C 154 40.979 44.365 -3.386 1
1 1882 . 3 1 1 A 154 154 ASP C C 154 176.163 174.834 1.329 1
1 1883 . 3 1 1 A 155 155 LEU N N 155 123.563 118.485 5.078 1
1 1884 . 3 1 1 A 155 155 LEU H H 155 8.266 8.674 -0.408 1
1 1885 . 3 1 1 A 155 155 LEU CA C 155 55.022 55.962 -0.940 1
1 1886 . 3 1 1 A 155 155 LEU HA H 155 4.358 3.815 0.543 1
1 1887 . 3 1 1 A 155 155 LEU CB C 155 42.157 40.605 1.552 1
1 1900 . 3 1 1 A 155 155 LEU C C 155 176.990 176.391 0.599 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.655 59.117 -0.462 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.501 4.548 -0.047 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.644 64.339 -0.695 1
1 6 . 4 1 1 A 6 6 SER C C 6 175.063 174.543 0.520 1
1 7 . 4 1 1 A 7 7 GLY N N 7 111.113 109.289 1.824 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.473 7.892 0.581 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.373 44.586 0.787 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 3.967 4.039 -0.072 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 3.967 4.040 -0.073 1
1 12 . 4 1 1 A 7 7 GLY C C 7 173.934 173.240 0.694 1
1 13 . 4 1 1 A 8 8 ALA N N 8 123.788 123.904 -0.116 1
1 14 . 4 1 1 A 8 8 ALA H H 8 8.197 8.473 -0.276 1
1 15 . 4 1 1 A 8 8 ALA CA C 8 52.548 51.193 1.355 1
1 16 . 4 1 1 A 8 8 ALA HA H 8 4.342 4.478 -0.136 1
1 17 . 4 1 1 A 8 8 ALA CB C 8 19.403 17.883 1.520 1
1 21 . 4 1 1 A 8 8 ALA C C 8 177.902 176.566 1.336 1
1 22 . 4 1 1 A 9 9 GLU N N 9 120.004 123.687 -3.683 1
1 23 . 4 1 1 A 9 9 GLU H H 9 8.524 8.524 0.000 1
1 24 . 4 1 1 A 9 9 GLU CA C 9 56.763 55.371 1.392 1
1 25 . 4 1 1 A 9 9 GLU HA H 9 4.308 4.729 -0.421 1
1 26 . 4 1 1 A 9 9 GLU CB C 9 30.161 30.657 -0.496 1
1 32 . 4 1 1 A 9 9 GLU C C 9 176.646 174.722 1.924 1
1 33 . 4 1 1 A 10 10 SER N N 10 116.268 115.556 0.712 1
1 34 . 4 1 1 A 10 10 SER H H 10 8.305 8.625 -0.320 1
1 35 . 4 1 1 A 10 10 SER CA C 10 58.426 56.565 1.861 1
1 36 . 4 1 1 A 10 10 SER HA H 10 4.429 5.177 -0.748 1
1 37 . 4 1 1 A 10 10 SER CB C 10 63.933 66.072 -2.139 1
1 40 . 4 1 1 A 10 10 SER C C 10 174.267 173.411 0.856 1
1 41 . 4 1 1 A 11 11 GLU N N 11 122.435 122.084 0.351 1
1 42 . 4 1 1 A 11 11 GLU H H 11 8.368 8.400 -0.032 1
1 43 . 4 1 1 A 11 11 GLU CA C 11 56.233 55.548 0.685 1
1 44 . 4 1 1 A 11 11 GLU HA H 11 4.367 4.367 0.000 1
1 45 . 4 1 1 A 11 11 GLU CB C 11 30.692 30.309 0.383 1
1 51 . 4 1 1 A 11 11 GLU C C 11 175.800 176.195 -0.395 1
1 52 . 4 1 1 A 12 12 SER N N 12 116.596 118.349 -1.753 1
1 53 . 4 1 1 A 12 12 SER H H 12 8.299 8.604 -0.305 1
1 54 . 4 1 1 A 12 12 SER CA C 12 58.355 58.868 -0.513 1
1 55 . 4 1 1 A 12 12 SER HA H 12 4.457 4.762 -0.305 1
1 56 . 4 1 1 A 12 12 SER CB C 12 64.573 64.200 0.373 1
1 59 . 4 1 1 A 12 12 SER C C 12 173.309 173.483 -0.174 1
1 60 . 4 1 1 A 13 13 PHE N N 13 121.293 119.948 1.345 1
1 61 . 4 1 1 A 13 13 PHE H H 13 8.346 9.158 -0.812 1
1 62 . 4 1 1 A 13 13 PHE CA C 13 56.851 56.230 0.621 1
1 63 . 4 1 1 A 13 13 PHE HA H 13 5.384 5.303 0.081 1
1 64 . 4 1 1 A 13 13 PHE CB C 13 42.542 43.636 -1.094 1
1 77 . 4 1 1 A 13 13 PHE C C 13 174.500 174.703 -0.203 1
1 78 . 4 1 1 A 14 14 VAL N N 14 116.020 116.019 0.001 1
1 79 . 4 1 1 A 14 14 VAL H H 14 9.313 9.152 0.161 1
1 80 . 4 1 1 A 14 14 VAL CA C 14 60.141 59.370 0.771 1
1 81 . 4 1 1 A 14 14 VAL HA H 14 4.455 4.929 -0.474 1
1 82 . 4 1 1 A 14 14 VAL CB C 14 36.318 36.319 -0.001 1
1 92 . 4 1 1 A 14 14 VAL C C 14 174.668 174.735 -0.067 1
1 93 . 4 1 1 A 15 15 LEU N N 15 121.725 121.376 0.349 1
1 94 . 4 1 1 A 15 15 LEU H H 15 8.476 8.495 -0.019 1
1 95 . 4 1 1 A 15 15 LEU CA C 15 54.800 52.859 1.941 1
1 96 . 4 1 1 A 15 15 LEU HA H 15 4.403 4.835 -0.432 1
1 97 . 4 1 1 A 15 15 LEU CB C 15 39.816 43.648 -3.832 1
1 110 . 4 1 1 A 15 15 LEU C C 15 177.001 176.185 0.816 1
1 111 . 4 1 1 A 16 16 ASP N N 16 126.576 124.945 1.631 1
1 112 . 4 1 1 A 16 16 ASP H H 16 8.766 8.823 -0.057 1
1 113 . 4 1 1 A 16 16 ASP CA C 16 52.828 53.184 -0.356 1
1 114 . 4 1 1 A 16 16 ASP HA H 16 5.081 4.861 0.220 1
1 115 . 4 1 1 A 16 16 ASP CB C 16 42.268 41.496 0.772 1
1 118 . 4 1 1 A 16 16 ASP C C 16 174.640 175.593 -0.953 1
1 119 . 4 1 1 A 17 17 PHE N N 17 112.958 117.604 -4.646 1
1 120 . 4 1 1 A 17 17 PHE H H 17 6.915 7.015 -0.100 1
1 121 . 4 1 1 A 17 17 PHE CA C 17 55.489 56.040 -0.551 1
1 122 . 4 1 1 A 17 17 PHE HA H 17 4.938 5.236 -0.298 1
1 123 . 4 1 1 A 17 17 PHE CB C 17 39.154 41.800 -2.646 1
1 136 . 4 1 1 A 17 17 PHE C C 17 173.746 173.274 0.472 1
1 137 . 4 1 1 A 18 18 SER N N 18 114.977 117.358 -2.381 1
1 138 . 4 1 1 A 18 18 SER H H 18 8.569 8.985 -0.416 1
1 139 . 4 1 1 A 18 18 SER CA C 18 57.046 58.561 -1.515 1
1 140 . 4 1 1 A 18 18 SER HA H 18 4.670 4.681 -0.011 1
1 141 . 4 1 1 A 18 18 SER CB C 18 63.974 63.891 0.083 1
1 144 . 4 1 1 A 18 18 SER C C 18 175.437 175.028 0.409 1
1 145 . 4 1 1 A 19 19 GLN N N 19 123.586 123.649 -0.063 1
1 146 . 4 1 1 A 19 19 GLN H H 19 9.033 8.749 0.284 1
1 147 . 4 1 1 A 19 19 GLN CA C 19 54.023 54.769 -0.746 1
1 148 . 4 1 1 A 19 19 GLN HA H 19 4.558 4.552 0.006 1
1 149 . 4 1 1 A 19 19 GLN CB C 19 27.994 28.488 -0.494 1
1 158 . 4 1 1 A 19 19 GLN C C 19 177.642 176.286 1.356 1
1 159 . 4 1 1 A 20 20 PRO CA C 20 65.836 65.020 0.816 1
1 160 . 4 1 1 A 20 20 PRO HA H 20 4.370 4.494 -0.124 1
1 161 . 4 1 1 A 20 20 PRO CB C 20 32.556 32.383 0.173 1
1 170 . 4 1 1 A 20 20 PRO C C 20 178.374 178.346 0.028 1
1 171 . 4 1 1 A 21 21 SER N N 21 104.386 112.146 -7.760 1
1 172 . 4 1 1 A 21 21 SER H H 21 7.216 7.919 -0.703 1
1 173 . 4 1 1 A 21 21 SER CA C 21 58.886 60.884 -1.998 1
1 174 . 4 1 1 A 21 21 SER HA H 21 3.271 3.894 -0.623 1
1 175 . 4 1 1 A 21 21 SER CB C 21 62.401 62.526 -0.125 1
1 178 . 4 1 1 A 21 21 SER C C 21 174.423 177.057 -2.634 1
1 179 . 4 1 1 A 22 22 ALA N N 22 123.008 124.071 -1.063 1
1 180 . 4 1 1 A 22 22 ALA H H 22 7.700 7.920 -0.220 1
1 181 . 4 1 1 A 22 22 ALA CA C 22 53.968 55.468 -1.500 1
1 182 . 4 1 1 A 22 22 ALA HA H 22 4.198 4.104 0.094 1
1 183 . 4 1 1 A 22 22 ALA CB C 22 18.504 18.971 -0.467 1
1 187 . 4 1 1 A 22 22 ALA C C 22 177.624 177.691 -0.067 1
1 188 . 4 1 1 A 23 23 ASP N N 23 117.789 117.310 0.479 1
1 189 . 4 1 1 A 23 23 ASP H H 23 7.080 7.764 -0.684 1
1 190 . 4 1 1 A 23 23 ASP CA C 23 52.151 52.946 -0.795 1
1 191 . 4 1 1 A 23 23 ASP HA H 23 4.893 4.957 -0.064 1
1 192 . 4 1 1 A 23 23 ASP CB C 23 40.592 40.799 -0.207 1
1 195 . 4 1 1 A 23 23 ASP C C 23 175.032 175.903 -0.871 1
1 196 . 4 1 1 A 24 24 TYR N N 24 123.295 126.377 -3.082 1
1 197 . 4 1 1 A 24 24 TYR H H 24 8.217 8.945 -0.728 1
1 198 . 4 1 1 A 24 24 TYR CA C 24 61.711 61.629 0.082 1
1 199 . 4 1 1 A 24 24 TYR HA H 24 4.196 4.067 0.129 1
1 200 . 4 1 1 A 24 24 TYR CB C 24 38.456 39.213 -0.757 1
1 211 . 4 1 1 A 24 24 TYR C C 24 177.434 177.228 0.206 1
1 212 . 4 1 1 A 25 25 LEU N N 25 119.429 121.032 -1.603 1
1 213 . 4 1 1 A 25 25 LEU H H 25 8.074 8.348 -0.274 1
1 214 . 4 1 1 A 25 25 LEU CA C 25 57.691 58.386 -0.695 1
1 215 . 4 1 1 A 25 25 LEU HA H 25 3.967 3.850 0.117 1
1 216 . 4 1 1 A 25 25 LEU CB C 25 41.388 41.468 -0.080 1
1 229 . 4 1 1 A 25 25 LEU C C 25 178.768 178.513 0.255 1
1 230 . 4 1 1 A 26 26 ASP N N 26 119.881 118.799 1.082 1
1 231 . 4 1 1 A 26 26 ASP H H 26 7.561 8.327 -0.766 1
1 232 . 4 1 1 A 26 26 ASP CA C 26 57.625 56.685 0.940 1
1 233 . 4 1 1 A 26 26 ASP HA H 26 4.367 4.408 -0.041 1
1 234 . 4 1 1 A 26 26 ASP CB C 26 42.955 41.386 1.569 1
1 237 . 4 1 1 A 26 26 ASP C C 26 177.657 178.226 -0.569 1
1 238 . 4 1 1 A 27 27 PHE N N 27 118.946 120.397 -1.451 1
1 239 . 4 1 1 A 27 27 PHE H H 27 8.750 8.189 0.561 1
1 240 . 4 1 1 A 27 27 PHE CA C 27 61.323 60.973 0.350 1
1 241 . 4 1 1 A 27 27 PHE HA H 27 4.088 4.132 -0.044 1
1 242 . 4 1 1 A 27 27 PHE CB C 27 39.606 39.620 -0.014 1
1 255 . 4 1 1 A 27 27 PHE C C 27 176.662 177.174 -0.512 1
1 256 . 4 1 1 A 28 28 ARG N N 28 116.744 118.484 -1.740 1
1 257 . 4 1 1 A 28 28 ARG H H 28 8.079 8.399 -0.320 1
1 258 . 4 1 1 A 28 28 ARG CA C 28 59.051 58.750 0.301 1
1 259 . 4 1 1 A 28 28 ARG HA H 28 3.590 4.027 -0.437 1
1 260 . 4 1 1 A 28 28 ARG CB C 28 29.516 29.733 -0.217 1
1 269 . 4 1 1 A 28 28 ARG C C 28 179.306 178.052 1.254 1
1 270 . 4 1 1 A 29 29 ASN N N 29 119.381 117.672 1.709 1
1 271 . 4 1 1 A 29 29 ASN H H 29 8.106 8.250 -0.144 1
1 272 . 4 1 1 A 29 29 ASN CA C 29 55.861 55.592 0.269 1
1 273 . 4 1 1 A 29 29 ASN HA H 29 4.361 4.439 -0.078 1
1 274 . 4 1 1 A 29 29 ASN CB C 29 37.622 37.831 -0.209 1
1 280 . 4 1 1 A 29 29 ASN C C 29 178.555 178.393 0.162 1
1 281 . 4 1 1 A 30 30 ARG N N 30 123.244 120.178 3.066 1
1 282 . 4 1 1 A 30 30 ARG H H 30 8.640 7.919 0.721 1
1 283 . 4 1 1 A 30 30 ARG CA C 30 59.708 58.532 1.176 1
1 284 . 4 1 1 A 30 30 ARG HA H 30 3.912 3.960 -0.048 1
1 285 . 4 1 1 A 30 30 ARG CB C 30 30.910 29.829 1.081 1
1 296 . 4 1 1 A 30 30 ARG C C 30 178.651 178.506 0.145 1
1 297 . 4 1 1 A 31 31 LEU N N 31 119.911 121.232 -1.321 1
1 298 . 4 1 1 A 31 31 LEU H H 31 7.988 7.546 0.442 1
1 299 . 4 1 1 A 31 31 LEU CA C 31 58.049 56.436 1.613 1
1 300 . 4 1 1 A 31 31 LEU HA H 31 3.409 3.937 -0.528 1
1 301 . 4 1 1 A 31 31 LEU CB C 31 41.342 41.504 -0.162 1
1 314 . 4 1 1 A 31 31 LEU C C 31 178.698 177.940 0.758 1
1 315 . 4 1 1 A 32 32 GLN N N 32 114.904 118.110 -3.206 1
1 316 . 4 1 1 A 32 32 GLN H H 32 7.416 7.551 -0.135 1
1 317 . 4 1 1 A 32 32 GLN CA C 32 58.019 57.002 1.017 1
1 318 . 4 1 1 A 32 32 GLN HA H 32 3.891 4.236 -0.345 1
1 319 . 4 1 1 A 32 32 GLN CB C 32 28.679 29.459 -0.780 1
1 328 . 4 1 1 A 32 32 GLN C C 32 176.457 176.925 -0.468 1
1 329 . 4 1 1 A 33 33 ALA N N 33 119.088 120.901 -1.813 1
1 330 . 4 1 1 A 33 33 ALA H H 33 7.791 7.502 0.289 1
1 331 . 4 1 1 A 33 33 ALA CA C 33 54.057 53.314 0.743 1
1 332 . 4 1 1 A 33 33 ALA HA H 33 4.099 4.072 0.027 1
1 333 . 4 1 1 A 33 33 ALA CB C 33 19.921 19.127 0.794 1
1 337 . 4 1 1 A 33 33 ALA C C 33 178.303 177.606 0.697 1
1 338 . 4 1 1 A 34 34 ASP N N 34 115.377 117.037 -1.660 1
1 339 . 4 1 1 A 34 34 ASP H H 34 8.662 7.833 0.829 1
1 340 . 4 1 1 A 34 34 ASP CA C 34 55.153 53.538 1.615 1
1 341 . 4 1 1 A 34 34 ASP HA H 34 4.698 4.652 0.046 1
1 342 . 4 1 1 A 34 34 ASP CB C 34 41.976 41.616 0.360 1
1 345 . 4 1 1 A 34 34 ASP C C 34 177.531 175.501 2.030 1
1 346 . 4 1 1 A 35 35 HIS N N 35 108.110 116.238 -8.128 1
1 347 . 4 1 1 A 35 35 HIS H H 35 7.018 7.656 -0.638 1
1 348 . 4 1 1 A 35 35 HIS CA C 35 58.336 56.804 1.532 1
1 349 . 4 1 1 A 35 35 HIS HA H 35 4.543 4.316 0.227 1
1 350 . 4 1 1 A 35 35 HIS CB C 35 26.472 26.517 -0.045 1
1 357 . 4 1 1 A 35 35 HIS C C 35 171.507 173.238 -1.731 1
1 358 . 4 1 1 A 36 36 VAL N N 36 115.529 116.583 -1.054 1
1 359 . 4 1 1 A 36 36 VAL H H 36 7.065 7.363 -0.298 1
1 360 . 4 1 1 A 36 36 VAL CA C 36 58.549 60.686 -2.137 1
1 361 . 4 1 1 A 36 36 VAL HA H 36 4.867 4.459 0.408 1
1 362 . 4 1 1 A 36 36 VAL CB C 36 33.135 34.273 -1.138 1
1 372 . 4 1 1 A 36 36 VAL C C 36 171.953 173.768 -1.815 1
1 373 . 4 1 1 A 37 37 CYS N N 37 124.685 124.580 0.105 1
1 374 . 4 1 1 A 37 37 CYS H H 37 8.694 8.184 0.510 1
1 375 . 4 1 1 A 37 37 CYS CA C 37 59.979 58.547 1.432 1
1 376 . 4 1 1 A 37 37 CYS HA H 37 4.594 5.361 -0.767 1
1 377 . 4 1 1 A 37 37 CYS CB C 37 29.016 31.322 -2.306 1
1 380 . 4 1 1 A 37 37 CYS C C 37 173.445 173.158 0.287 1
1 381 . 4 1 1 A 38 38 LEU N N 38 132.291 127.809 4.482 1
1 382 . 4 1 1 A 38 38 LEU H H 38 9.625 8.846 0.779 1
1 383 . 4 1 1 A 38 38 LEU CA C 38 57.958 55.475 2.483 1
1 384 . 4 1 1 A 38 38 LEU HA H 38 4.167 4.652 -0.485 1
1 385 . 4 1 1 A 38 38 LEU CB C 38 42.189 42.779 -0.590 1
1 398 . 4 1 1 A 38 38 LEU C C 38 173.188 177.022 -3.834 1
1 399 . 4 1 1 A 39 39 GLU N N 39 127.988 128.265 -0.277 1
1 400 . 4 1 1 A 39 39 GLU H H 39 9.267 9.318 -0.051 1
1 401 . 4 1 1 A 39 39 GLU CA C 39 57.435 58.724 -1.289 1
1 402 . 4 1 1 A 39 39 GLU HA H 39 4.521 4.346 0.175 1
1 403 . 4 1 1 A 39 39 GLU CB C 39 31.891 30.223 1.668 1
1 409 . 4 1 1 A 39 39 GLU C C 39 175.300 176.578 -1.278 1
1 410 . 4 1 1 A 40 40 ASN N N 40 115.109 113.248 1.861 1
1 411 . 4 1 1 A 40 40 ASN H H 40 7.757 7.326 0.431 1
1 412 . 4 1 1 A 40 40 ASN CA C 40 52.151 51.491 0.660 1
1 413 . 4 1 1 A 40 40 ASN HA H 40 5.353 5.418 -0.065 1
1 414 . 4 1 1 A 40 40 ASN CB C 40 43.324 41.967 1.357 1
1 420 . 4 1 1 A 40 40 ASN C C 40 173.918 173.422 0.496 1
1 421 . 4 1 1 A 41 41 CYS N N 41 120.861 119.500 1.361 1
1 422 . 4 1 1 A 41 41 CYS H H 41 9.646 9.101 0.545 1
1 423 . 4 1 1 A 41 41 CYS CA C 41 58.934 57.455 1.479 1
1 424 . 4 1 1 A 41 41 CYS HA H 41 5.167 5.101 0.066 1
1 425 . 4 1 1 A 41 41 CYS CB C 41 30.293 30.479 -0.186 1
1 428 . 4 1 1 A 41 41 CYS C C 41 171.600 173.321 -1.721 1
1 429 . 4 1 1 A 42 42 VAL N N 42 126.721 123.279 3.442 1
1 430 . 4 1 1 A 42 42 VAL H H 42 9.532 9.110 0.422 1
1 431 . 4 1 1 A 42 42 VAL CA C 42 60.463 59.947 0.516 1
1 432 . 4 1 1 A 42 42 VAL HA H 42 4.454 5.000 -0.546 1
1 433 . 4 1 1 A 42 42 VAL CB C 42 35.496 34.420 1.076 1
1 443 . 4 1 1 A 42 42 VAL C C 42 173.645 174.031 -0.386 1
1 444 . 4 1 1 A 43 43 LEU N N 43 127.183 123.860 3.323 1
1 445 . 4 1 1 A 43 43 LEU H H 43 8.597 8.733 -0.136 1
1 446 . 4 1 1 A 43 43 LEU CA C 43 54.209 53.650 0.559 1
1 447 . 4 1 1 A 43 43 LEU HA H 43 5.050 5.138 -0.088 1
1 448 . 4 1 1 A 43 43 LEU CB C 43 43.450 46.101 -2.651 1
1 461 . 4 1 1 A 43 43 LEU C C 43 176.151 174.662 1.489 1
1 462 . 4 1 1 A 44 44 LYS N N 44 127.086 125.247 1.839 1
1 463 . 4 1 1 A 44 44 LYS H H 44 8.726 9.328 -0.602 1
1 464 . 4 1 1 A 44 44 LYS CA C 44 55.033 54.325 0.708 1
1 465 . 4 1 1 A 44 44 LYS HA H 44 4.552 4.792 -0.240 1
1 466 . 4 1 1 A 44 44 LYS CB C 44 34.147 35.526 -1.379 1
1 478 . 4 1 1 A 44 44 LYS C C 44 175.176 176.148 -0.972 1
1 479 . 4 1 1 A 45 45 ASP N N 45 123.045 120.395 2.650 1
1 480 . 4 1 1 A 45 45 ASP H H 45 8.876 8.789 0.087 1
1 481 . 4 1 1 A 45 45 ASP CA C 45 56.515 55.031 1.484 1
1 482 . 4 1 1 A 45 45 ASP HA H 45 4.321 4.358 -0.037 1
1 483 . 4 1 1 A 45 45 ASP CB C 45 39.782 40.538 -0.756 1
1 486 . 4 1 1 A 45 45 ASP C C 45 175.339 176.495 -1.156 1
1 487 . 4 1 1 A 46 46 LYS N N 46 118.201 120.235 -2.034 1
1 488 . 4 1 1 A 46 46 LYS H H 46 8.620 9.145 -0.525 1
1 489 . 4 1 1 A 46 46 LYS CA C 46 56.158 57.218 -1.060 1
1 490 . 4 1 1 A 46 46 LYS HA H 46 4.079 3.813 0.266 1
1 491 . 4 1 1 A 46 46 LYS CB C 46 30.929 29.977 0.952 1
1 503 . 4 1 1 A 46 46 LYS C C 46 174.615 175.073 -0.458 1
1 504 . 4 1 1 A 47 47 ALA N N 47 121.283 117.775 3.508 1
1 505 . 4 1 1 A 47 47 ALA H H 47 7.611 7.128 0.483 1
1 506 . 4 1 1 A 47 47 ALA CA C 47 51.809 51.614 0.195 1
1 507 . 4 1 1 A 47 47 ALA HA H 47 5.105 4.898 0.207 1
1 508 . 4 1 1 A 47 47 ALA CB C 47 22.739 22.998 -0.259 1
1 512 . 4 1 1 A 47 47 ALA C C 47 175.508 175.154 0.354 1
1 513 . 4 1 1 A 48 48 ILE N N 48 114.639 114.674 -0.035 1
1 514 . 4 1 1 A 48 48 ILE H H 48 8.819 8.589 0.230 1
1 515 . 4 1 1 A 48 48 ILE CA C 48 59.017 59.259 -0.242 1
1 516 . 4 1 1 A 48 48 ILE HA H 48 5.230 5.116 0.114 1
1 517 . 4 1 1 A 48 48 ILE CB C 48 41.811 42.604 -0.793 1
1 530 . 4 1 1 A 48 48 ILE C C 48 172.954 174.272 -1.318 1
1 531 . 4 1 1 A 49 49 ALA N N 49 126.155 123.160 2.995 1
1 532 . 4 1 1 A 49 49 ALA H H 49 8.652 8.346 0.306 1
1 533 . 4 1 1 A 49 49 ALA CA C 49 50.095 51.043 -0.948 1
1 534 . 4 1 1 A 49 49 ALA HA H 49 4.769 5.223 -0.454 1
1 535 . 4 1 1 A 49 49 ALA CB C 49 22.651 22.748 -0.097 1
1 539 . 4 1 1 A 49 49 ALA C C 49 175.812 175.694 0.118 1
1 540 . 4 1 1 A 50 50 GLY N N 50 105.980 107.553 -1.573 1
1 541 . 4 1 1 A 50 50 GLY H H 50 6.754 6.958 -0.204 1
1 542 . 4 1 1 A 50 50 GLY CA C 50 46.134 44.693 1.441 1
1 543 . 4 1 1 A 50 50 GLY HA2 H 50 3.803 3.837 -0.034 1
1 544 . 4 1 1 A 50 50 GLY HA3 H 50 4.077 4.054 0.023 1
1 545 . 4 1 1 A 50 50 GLY C C 50 172.510 172.208 0.302 1
1 546 . 4 1 1 A 51 51 THR N N 51 108.648 111.549 -2.901 1
1 547 . 4 1 1 A 51 51 THR H H 51 8.556 8.740 -0.184 1
1 548 . 4 1 1 A 51 51 THR CA C 51 59.116 60.022 -0.906 1
1 549 . 4 1 1 A 51 51 THR HA H 51 5.588 5.701 -0.113 1
1 550 . 4 1 1 A 51 51 THR CB C 51 72.737 70.817 1.920 1
1 556 . 4 1 1 A 51 51 THR C C 51 174.087 173.687 0.400 1
1 557 . 4 1 1 A 52 52 VAL N N 52 122.025 125.519 -3.494 1
1 558 . 4 1 1 A 52 52 VAL H H 52 9.746 9.615 0.131 1
1 559 . 4 1 1 A 52 52 VAL CA C 52 61.371 61.256 0.115 1
1 560 . 4 1 1 A 52 52 VAL HA H 52 4.463 4.719 -0.256 1
1 561 . 4 1 1 A 52 52 VAL CB C 52 36.986 33.864 3.122 1
1 571 . 4 1 1 A 52 52 VAL C C 52 174.687 175.307 -0.620 1
1 572 . 4 1 1 A 53 53 LYS N N 53 125.115 127.158 -2.043 1
1 573 . 4 1 1 A 53 53 LYS H H 53 8.567 9.134 -0.567 1
1 574 . 4 1 1 A 53 53 LYS CA C 53 53.668 55.586 -1.918 1
1 575 . 4 1 1 A 53 53 LYS HA H 53 5.599 5.167 0.432 1
1 576 . 4 1 1 A 53 53 LYS CB C 53 37.855 34.884 2.971 1
1 588 . 4 1 1 A 53 53 LYS C C 53 174.697 176.027 -1.330 1
1 589 . 4 1 1 A 54 54 VAL N N 54 110.661 118.106 -7.445 1
1 590 . 4 1 1 A 54 54 VAL H H 54 8.498 8.902 -0.404 1
1 591 . 4 1 1 A 54 54 VAL CA C 54 57.682 58.819 -1.137 1
1 592 . 4 1 1 A 54 54 VAL HA H 54 4.825 4.367 0.458 1
1 593 . 4 1 1 A 54 54 VAL CB C 54 34.634 35.764 -1.130 1
1 603 . 4 1 1 A 54 54 VAL C C 54 176.105 173.995 2.110 1
1 604 . 4 1 1 A 55 55 GLN N N 55 119.414 120.855 -1.441 1
1 605 . 4 1 1 A 55 55 GLN H H 55 7.924 7.642 0.282 1
1 606 . 4 1 1 A 55 55 GLN CA C 55 56.023 54.652 1.371 1
1 607 . 4 1 1 A 55 55 GLN HA H 55 4.456 4.640 -0.184 1
1 608 . 4 1 1 A 55 55 GLN CB C 55 30.216 30.678 -0.462 1
1 617 . 4 1 1 A 55 55 GLN C C 55 176.800 175.907 0.893 1
1 618 . 4 1 1 A 56 56 ASN N N 56 125.676 122.565 3.111 1
1 619 . 4 1 1 A 56 56 ASN H H 56 8.837 9.096 -0.259 1
1 620 . 4 1 1 A 56 56 ASN CA C 56 53.190 52.730 0.460 1
1 621 . 4 1 1 A 56 56 ASN HA H 56 4.575 4.909 -0.334 1
1 622 . 4 1 1 A 56 56 ASN CB C 56 36.855 36.760 0.095 1
1 628 . 4 1 1 A 56 56 ASN C C 56 174.747 175.353 -0.606 1
1 629 . 4 1 1 A 57 57 LEU N N 57 124.779 121.250 3.529 1
1 630 . 4 1 1 A 57 57 LEU H H 57 7.284 8.107 -0.823 1
1 631 . 4 1 1 A 57 57 LEU CA C 57 55.224 57.249 -2.025 1
1 632 . 4 1 1 A 57 57 LEU HA H 57 4.326 4.085 0.241 1
1 633 . 4 1 1 A 57 57 LEU CB C 57 43.634 42.413 1.221 1
1 646 . 4 1 1 A 57 57 LEU C C 57 176.186 176.916 -0.730 1
1 647 . 4 1 1 A 58 58 ALA N N 58 119.342 119.204 0.138 1
1 648 . 4 1 1 A 58 58 ALA H H 58 7.724 7.837 -0.113 1
1 649 . 4 1 1 A 58 58 ALA CA C 58 51.687 50.116 1.571 1
1 650 . 4 1 1 A 58 58 ALA HA H 58 4.343 4.345 -0.002 1
1 651 . 4 1 1 A 58 58 ALA CB C 58 21.122 20.802 0.320 1
1 655 . 4 1 1 A 58 58 ALA C C 58 175.847 177.249 -1.402 1
1 656 . 4 1 1 A 59 59 PHE N N 59 118.235 121.942 -3.707 1
1 657 . 4 1 1 A 59 59 PHE H H 59 8.231 8.405 -0.174 1
1 658 . 4 1 1 A 59 59 PHE CA C 59 60.105 61.216 -1.111 1
1 659 . 4 1 1 A 59 59 PHE HA H 59 4.428 4.233 0.195 1
1 660 . 4 1 1 A 59 59 PHE CB C 59 40.386 38.938 1.448 1
1 673 . 4 1 1 A 59 59 PHE C C 59 176.670 176.467 0.203 1
1 674 . 4 1 1 A 60 60 GLU N N 60 120.295 116.572 3.723 1
1 675 . 4 1 1 A 60 60 GLU H H 60 8.482 8.026 0.456 1
1 676 . 4 1 1 A 60 60 GLU CA C 60 57.134 56.282 0.852 1
1 677 . 4 1 1 A 60 60 GLU HA H 60 4.306 4.793 -0.487 1
1 678 . 4 1 1 A 60 60 GLU CB C 60 29.569 30.410 -0.841 1
1 684 . 4 1 1 A 60 60 GLU C C 60 175.584 176.039 -0.455 1
1 685 . 4 1 1 A 61 61 LYS N N 61 123.512 120.963 2.549 1
1 686 . 4 1 1 A 61 61 LYS H H 61 8.377 9.170 -0.793 1
1 687 . 4 1 1 A 61 61 LYS CA C 61 55.939 53.995 1.944 1
1 688 . 4 1 1 A 61 61 LYS HA H 61 5.038 5.284 -0.246 1
1 689 . 4 1 1 A 61 61 LYS CB C 61 37.890 36.784 1.106 1
1 701 . 4 1 1 A 61 61 LYS C C 61 175.510 175.063 0.447 1
1 702 . 4 1 1 A 62 62 THR N N 62 117.107 113.064 4.043 1
1 703 . 4 1 1 A 62 62 THR H H 62 8.285 8.345 -0.060 1
1 704 . 4 1 1 A 62 62 THR CA C 62 62.340 61.310 1.030 1
1 705 . 4 1 1 A 62 62 THR HA H 62 4.435 4.925 -0.490 1
1 706 . 4 1 1 A 62 62 THR CB C 62 71.605 71.353 0.252 1
1 712 . 4 1 1 A 62 62 THR C C 62 172.156 173.205 -1.049 1
1 713 . 4 1 1 A 63 63 VAL N N 63 128.402 127.238 1.164 1
1 714 . 4 1 1 A 63 63 VAL H H 63 8.719 8.611 0.108 1
1 715 . 4 1 1 A 63 63 VAL CA C 63 60.707 61.061 -0.354 1
1 716 . 4 1 1 A 63 63 VAL HA H 63 4.755 4.707 0.048 1
1 717 . 4 1 1 A 63 63 VAL CB C 63 35.210 34.151 1.059 1
1 727 . 4 1 1 A 63 63 VAL C C 63 174.313 174.844 -0.531 1
1 728 . 4 1 1 A 64 64 LYS N N 64 123.629 125.241 -1.612 1
1 729 . 4 1 1 A 64 64 LYS H H 64 8.519 8.356 0.163 1
1 730 . 4 1 1 A 64 64 LYS CA C 64 54.850 54.788 0.062 1
1 731 . 4 1 1 A 64 64 LYS HA H 64 4.997 5.131 -0.134 1
1 732 . 4 1 1 A 64 64 LYS CB C 64 37.343 36.389 0.954 1
1 744 . 4 1 1 A 64 64 LYS C C 64 173.348 175.378 -2.030 1
1 745 . 4 1 1 A 65 65 ILE N N 65 119.250 124.012 -4.762 1
1 746 . 4 1 1 A 65 65 ILE H H 65 8.637 8.527 0.110 1
1 747 . 4 1 1 A 65 65 ILE CA C 65 57.894 60.143 -2.249 1
1 748 . 4 1 1 A 65 65 ILE HA H 65 4.451 4.745 -0.294 1
1 749 . 4 1 1 A 65 65 ILE CB C 65 37.638 39.492 -1.854 1
1 762 . 4 1 1 A 65 65 ILE C C 65 174.893 175.413 -0.520 1
1 763 . 4 1 1 A 66 66 ARG N N 66 130.193 126.967 3.226 1
1 764 . 4 1 1 A 66 66 ARG H H 66 9.244 8.709 0.535 1
1 765 . 4 1 1 A 66 66 ARG CA C 66 55.930 54.866 1.064 1
1 766 . 4 1 1 A 66 66 ARG HA H 66 5.440 4.983 0.457 1
1 767 . 4 1 1 A 66 66 ARG CB C 66 31.514 31.655 -0.141 1
1 778 . 4 1 1 A 66 66 ARG C C 66 174.161 174.541 -0.380 1
1 779 . 4 1 1 A 67 67 MET N N 67 128.046 125.418 2.628 1
1 780 . 4 1 1 A 67 67 MET H H 67 9.343 9.437 -0.094 1
1 781 . 4 1 1 A 67 67 MET CA C 67 54.217 53.848 0.369 1
1 782 . 4 1 1 A 67 67 MET HA H 67 5.318 5.336 -0.018 1
1 783 . 4 1 1 A 67 67 MET CB C 67 37.533 35.623 1.910 1
1 793 . 4 1 1 A 67 67 MET C C 67 173.432 174.203 -0.771 1
1 794 . 4 1 1 A 68 68 THR N N 68 118.404 118.670 -0.266 1
1 795 . 4 1 1 A 68 68 THR H H 68 8.474 8.424 0.050 1
1 796 . 4 1 1 A 68 68 THR CA C 68 58.903 59.381 -0.478 1
1 797 . 4 1 1 A 68 68 THR HA H 68 3.948 4.975 -1.027 1
1 798 . 4 1 1 A 68 68 THR CB C 68 71.091 71.440 -0.349 1
1 804 . 4 1 1 A 68 68 THR C C 68 170.783 173.162 -2.379 1
1 805 . 4 1 1 A 69 69 PHE N N 69 124.029 123.761 0.268 1
1 806 . 4 1 1 A 69 69 PHE H H 69 8.910 9.101 -0.191 1
1 807 . 4 1 1 A 69 69 PHE CA C 69 55.772 57.383 -1.611 1
1 808 . 4 1 1 A 69 69 PHE HA H 69 4.783 4.716 0.067 1
1 809 . 4 1 1 A 69 69 PHE CB C 69 39.748 39.790 -0.042 1
1 822 . 4 1 1 A 69 69 PHE C C 69 174.951 174.921 0.030 1
1 823 . 4 1 1 A 70 70 ASP N N 70 121.457 120.147 1.310 1
1 824 . 4 1 1 A 70 70 ASP H H 70 8.841 7.308 1.533 1
1 825 . 4 1 1 A 70 70 ASP CA C 70 52.288 52.624 -0.336 1
1 826 . 4 1 1 A 70 70 ASP HA H 70 4.661 4.913 -0.252 1
1 827 . 4 1 1 A 70 70 ASP CB C 70 40.026 40.817 -0.791 1
1 830 . 4 1 1 A 70 70 ASP C C 70 177.065 175.116 1.949 1
1 831 . 4 1 1 A 71 71 THR N N 71 114.661 119.939 -5.278 1
1 832 . 4 1 1 A 71 71 THR H H 71 8.724 9.067 -0.343 1
1 833 . 4 1 1 A 71 71 THR CA C 71 63.824 63.084 0.740 1
1 834 . 4 1 1 A 71 71 THR HA H 71 3.181 3.959 -0.778 1
1 835 . 4 1 1 A 71 71 THR CB C 71 66.535 66.982 -0.447 1
1 841 . 4 1 1 A 71 71 THR C C 71 173.648 173.976 -0.328 1
1 842 . 4 1 1 A 72 72 TRP N N 72 111.097 113.266 -2.169 1
1 843 . 4 1 1 A 72 72 TRP H H 72 8.854 8.003 0.851 1
1 844 . 4 1 1 A 72 72 TRP CA C 72 58.910 57.949 0.961 1
1 845 . 4 1 1 A 72 72 TRP HA H 72 3.951 4.258 -0.307 1
1 846 . 4 1 1 A 72 72 TRP CB C 72 24.332 26.489 -2.157 1
1 861 . 4 1 1 A 72 72 TRP C C 72 176.875 176.252 0.623 1
1 862 . 4 1 1 A 73 73 LYS N N 73 124.701 117.433 7.268 1
1 863 . 4 1 1 A 73 73 LYS H H 73 7.785 8.220 -0.435 1
1 864 . 4 1 1 A 73 73 LYS CA C 73 60.463 56.630 3.833 1
1 865 . 4 1 1 A 73 73 LYS HA H 73 4.174 4.529 -0.355 1
1 866 . 4 1 1 A 73 73 LYS CB C 73 31.024 35.465 -4.441 1
1 878 . 4 1 1 A 73 73 LYS C C 73 177.622 176.547 1.075 1
1 879 . 4 1 1 A 74 74 SER N N 74 117.041 112.995 4.046 1
1 880 . 4 1 1 A 74 74 SER H H 74 10.002 7.873 2.129 1
1 881 . 4 1 1 A 74 74 SER CA C 74 57.539 56.735 0.804 1
1 882 . 4 1 1 A 74 74 SER HA H 74 4.556 4.681 -0.125 1
1 883 . 4 1 1 A 74 74 SER CB C 74 66.372 63.457 2.915 1
1 886 . 4 1 1 A 74 74 SER C C 74 171.956 172.210 -0.254 1
1 887 . 4 1 1 A 75 75 TYR N N 75 113.320 124.807 -11.487 1
1 888 . 4 1 1 A 75 75 TYR H H 75 7.735 8.417 -0.682 1
1 889 . 4 1 1 A 75 75 TYR CA C 75 57.155 55.204 1.951 1
1 890 . 4 1 1 A 75 75 TYR HA H 75 5.229 5.722 -0.493 1
1 891 . 4 1 1 A 75 75 TYR CB C 75 40.745 42.428 -1.683 1
1 902 . 4 1 1 A 75 75 TYR C C 75 174.262 174.094 0.168 1
1 903 . 4 1 1 A 76 76 THR N N 76 117.158 114.569 2.589 1
1 904 . 4 1 1 A 76 76 THR H H 76 9.212 8.666 0.546 1
1 905 . 4 1 1 A 76 76 THR CA C 76 62.104 61.005 1.099 1
1 906 . 4 1 1 A 76 76 THR HA H 76 4.318 4.877 -0.559 1
1 907 . 4 1 1 A 76 76 THR CB C 76 72.675 72.358 0.317 1
1 913 . 4 1 1 A 76 76 THR C C 76 171.344 172.524 -1.180 1
1 914 . 4 1 1 A 77 77 ASP N N 77 125.875 125.531 0.344 1
1 915 . 4 1 1 A 77 77 ASP H H 77 8.569 8.806 -0.237 1
1 916 . 4 1 1 A 77 77 ASP CA C 77 52.422 52.924 -0.502 1
1 917 . 4 1 1 A 77 77 ASP HA H 77 5.865 4.798 1.067 1
1 918 . 4 1 1 A 77 77 ASP CB C 77 41.512 41.385 0.127 1
1 921 . 4 1 1 A 77 77 ASP C C 77 175.921 175.241 0.680 1
1 922 . 4 1 1 A 78 78 PHE N N 78 125.666 123.269 2.397 1
1 923 . 4 1 1 A 78 78 PHE H H 78 9.992 8.682 1.310 1
1 924 . 4 1 1 A 78 78 PHE CA C 78 55.578 55.856 -0.278 1
1 925 . 4 1 1 A 78 78 PHE HA H 78 4.943 4.977 -0.034 1
1 926 . 4 1 1 A 78 78 PHE CB C 78 40.375 40.255 0.120 1
1 939 . 4 1 1 A 78 78 PHE C C 78 173.610 173.902 -0.292 1
1 940 . 4 1 1 A 79 79 PRO CA C 79 63.363 63.185 0.178 1
1 941 . 4 1 1 A 79 79 PRO HA H 79 4.615 4.653 -0.038 1
1 942 . 4 1 1 A 79 79 PRO CB C 79 32.787 32.337 0.450 1
1 951 . 4 1 1 A 79 79 PRO C C 79 176.681 177.034 -0.353 1
1 952 . 4 1 1 A 80 80 CYS N N 80 117.289 121.272 -3.983 1
1 953 . 4 1 1 A 80 80 CYS H H 80 8.308 8.142 0.166 1
1 954 . 4 1 1 A 80 80 CYS CA C 80 57.675 58.949 -1.274 1
1 955 . 4 1 1 A 80 80 CYS HA H 80 5.242 5.100 0.142 1
1 956 . 4 1 1 A 80 80 CYS CB C 80 30.658 30.130 0.528 1
1 959 . 4 1 1 A 80 80 CYS C C 80 174.899 173.933 0.966 1
1 960 . 4 1 1 A 81 81 GLN N N 81 122.188 119.479 2.709 1
1 961 . 4 1 1 A 81 81 GLN H H 81 9.312 8.844 0.468 1
1 962 . 4 1 1 A 81 81 GLN CA C 81 54.620 54.312 0.308 1
1 963 . 4 1 1 A 81 81 GLN HA H 81 4.911 5.035 -0.124 1
1 964 . 4 1 1 A 81 81 GLN CB C 81 31.213 32.336 -1.123 1
1 973 . 4 1 1 A 81 81 GLN C C 81 175.035 174.164 0.871 1
1 974 . 4 1 1 A 82 82 TYR N N 82 125.814 123.143 2.671 1
1 975 . 4 1 1 A 82 82 TYR H H 82 8.919 8.899 0.020 1
1 976 . 4 1 1 A 82 82 TYR CA C 82 58.764 55.587 3.177 1
1 977 . 4 1 1 A 82 82 TYR HA H 82 3.403 5.134 -1.731 1
1 978 . 4 1 1 A 82 82 TYR CB C 82 38.346 40.825 -2.479 1
1 989 . 4 1 1 A 82 82 TYR C C 82 175.413 174.569 0.844 1
1 990 . 4 1 1 A 83 83 VAL N N 83 129.316 127.962 1.354 1
1 991 . 4 1 1 A 83 83 VAL H H 83 7.782 8.110 -0.328 1
1 992 . 4 1 1 A 83 83 VAL CA C 83 61.693 62.694 -1.001 1
1 993 . 4 1 1 A 83 83 VAL HA H 83 3.758 3.868 -0.110 1
1 994 . 4 1 1 A 83 83 VAL CB C 83 32.564 30.897 1.667 1
1 1004 . 4 1 1 A 83 83 VAL C C 83 173.771 174.482 -0.711 1
1 1005 . 4 1 1 A 84 84 LYS N N 84 126.665 128.074 -1.409 1
1 1006 . 4 1 1 A 84 84 LYS H H 84 8.174 8.504 -0.330 1
1 1007 . 4 1 1 A 84 84 LYS CA C 84 56.144 55.384 0.760 1
1 1008 . 4 1 1 A 84 84 LYS HA H 84 4.016 4.595 -0.579 1
1 1009 . 4 1 1 A 84 84 LYS CB C 84 32.170 33.397 -1.227 1
1 1021 . 4 1 1 A 84 84 LYS C C 84 175.610 174.942 0.668 1
1 1022 . 4 1 1 A 85 85 ASP N N 85 124.262 126.069 -1.807 1
1 1023 . 4 1 1 A 85 85 ASP H H 85 7.864 8.320 -0.456 1
1 1024 . 4 1 1 A 85 85 ASP CA C 85 53.349 52.868 0.481 1
1 1025 . 4 1 1 A 85 85 ASP HA H 85 4.678 4.916 -0.238 1
1 1026 . 4 1 1 A 85 85 ASP CB C 85 41.683 44.521 -2.838 1
1 1029 . 4 1 1 A 85 85 ASP C C 85 176.841 176.140 0.701 1
1 1030 . 4 1 1 A 86 86 THR N N 86 113.656 119.616 -5.960 1
1 1031 . 4 1 1 A 86 86 THR H H 86 8.065 8.678 -0.613 1
1 1032 . 4 1 1 A 86 86 THR CA C 86 63.274 65.479 -2.205 1
1 1033 . 4 1 1 A 86 86 THR HA H 86 4.086 3.971 0.115 1
1 1034 . 4 1 1 A 86 86 THR CB C 86 69.257 68.763 0.494 1
1 1040 . 4 1 1 A 86 86 THR C C 86 174.589 175.653 -1.064 1
1 1041 . 4 1 1 A 87 87 TYR N N 87 120.837 117.123 3.714 1
1 1042 . 4 1 1 A 87 87 TYR H H 87 8.064 7.472 0.592 1
1 1043 . 4 1 1 A 87 87 TYR CA C 87 58.054 60.540 -2.486 1
1 1044 . 4 1 1 A 87 87 TYR HA H 87 4.527 4.311 0.216 1
1 1045 . 4 1 1 A 87 87 TYR CB C 87 38.297 39.400 -1.103 1
1 1056 . 4 1 1 A 87 87 TYR C C 87 175.590 176.337 -0.747 1
1 1057 . 4 1 1 A 88 88 ALA N N 88 125.226 121.166 4.060 1
1 1058 . 4 1 1 A 88 88 ALA H H 88 7.963 7.814 0.149 1
1 1059 . 4 1 1 A 88 88 ALA CA C 88 53.104 52.732 0.372 1
1 1060 . 4 1 1 A 88 88 ALA HA H 88 4.389 4.330 0.059 1
1 1061 . 4 1 1 A 88 88 ALA CB C 88 19.127 19.458 -0.331 1
1 1065 . 4 1 1 A 88 88 ALA C C 88 178.497 177.951 0.546 1
1 1066 . 4 1 1 A 89 89 GLY N N 89 109.029 112.339 -3.310 1
1 1067 . 4 1 1 A 89 89 GLY H H 89 8.479 8.695 -0.216 1
1 1068 . 4 1 1 A 89 89 GLY CA C 89 45.426 45.704 -0.278 1
1 1069 . 4 1 1 A 89 89 GLY HA2 H 89 3.952 4.184 -0.232 1
1 1070 . 4 1 1 A 89 89 GLY HA3 H 89 4.079 4.189 -0.110 1
1 1071 . 4 1 1 A 89 89 GLY C C 89 174.563 175.073 -0.510 1
1 1072 . 4 1 1 A 90 90 SER N N 90 115.638 112.680 2.958 1
1 1073 . 4 1 1 A 90 90 SER H H 90 8.232 8.212 0.020 1
1 1074 . 4 1 1 A 90 90 SER CA C 90 58.443 60.568 -2.125 1
1 1075 . 4 1 1 A 90 90 SER HA H 90 4.574 4.675 -0.101 1
1 1076 . 4 1 1 A 90 90 SER CB C 90 63.865 64.123 -0.258 1
1 1079 . 4 1 1 A 90 90 SER C C 90 174.212 175.550 -1.338 1
1 1080 . 4 1 1 A 91 91 ASP N N 91 120.185 117.003 3.182 1
1 1081 . 4 1 1 A 91 91 ASP H H 91 8.691 8.174 0.517 1
1 1082 . 4 1 1 A 91 91 ASP CA C 91 55.012 55.157 -0.145 1
1 1083 . 4 1 1 A 91 91 ASP HA H 91 4.684 4.863 -0.179 1
1 1084 . 4 1 1 A 91 91 ASP CB C 91 40.643 42.085 -1.442 1
1 1087 . 4 1 1 A 91 91 ASP C C 91 176.350 176.026 0.324 1
1 1088 . 4 1 1 A 92 92 ARG N N 92 119.690 116.984 2.706 1
1 1089 . 4 1 1 A 92 92 ARG H H 92 8.072 7.784 0.288 1
1 1090 . 4 1 1 A 92 92 ARG CA C 92 54.941 55.602 -0.661 1
1 1091 . 4 1 1 A 92 92 ARG HA H 92 5.022 5.205 -0.183 1
1 1092 . 4 1 1 A 92 92 ARG CB C 92 32.816 31.977 0.839 1
1 1101 . 4 1 1 A 92 92 ARG C C 92 174.072 175.883 -1.811 1
1 1102 . 4 1 1 A 93 93 ASP N N 93 119.716 121.684 -1.968 1
1 1103 . 4 1 1 A 93 93 ASP H H 93 8.550 8.848 -0.298 1
1 1104 . 4 1 1 A 93 93 ASP CA C 93 53.411 53.110 0.301 1
1 1105 . 4 1 1 A 93 93 ASP HA H 93 5.108 5.391 -0.283 1
1 1106 . 4 1 1 A 93 93 ASP CB C 93 46.005 43.197 2.808 1
1 1109 . 4 1 1 A 93 93 ASP C C 93 174.776 175.382 -0.606 1
1 1110 . 4 1 1 A 94 94 THR N N 94 116.481 116.169 0.312 1
1 1111 . 4 1 1 A 94 94 THR H H 94 8.932 8.823 0.109 1
1 1112 . 4 1 1 A 94 94 THR CA C 94 62.287 61.151 1.136 1
1 1113 . 4 1 1 A 94 94 THR HA H 94 5.232 5.300 -0.068 1
1 1114 . 4 1 1 A 94 94 THR CB C 94 70.008 71.494 -1.486 1
1 1120 . 4 1 1 A 94 94 THR C C 94 171.982 173.534 -1.552 1
1 1121 . 4 1 1 A 95 95 PHE N N 95 124.488 125.914 -1.426 1
1 1122 . 4 1 1 A 95 95 PHE H H 95 9.347 9.127 0.220 1
1 1123 . 4 1 1 A 95 95 PHE CA C 95 55.834 55.956 -0.122 1
1 1124 . 4 1 1 A 95 95 PHE HA H 95 5.321 5.670 -0.349 1
1 1125 . 4 1 1 A 95 95 PHE CB C 95 43.478 43.011 0.467 1
1 1138 . 4 1 1 A 95 95 PHE C C 95 174.780 174.100 0.680 1
1 1139 . 4 1 1 A 96 96 SER N N 96 117.417 117.126 0.291 1
1 1140 . 4 1 1 A 96 96 SER H H 96 10.108 9.386 0.722 1
1 1141 . 4 1 1 A 96 96 SER CA C 96 56.388 56.003 0.385 1
1 1142 . 4 1 1 A 96 96 SER HA H 96 5.575 5.645 -0.070 1
1 1143 . 4 1 1 A 96 96 SER CB C 96 67.188 66.462 0.726 1
1 1146 . 4 1 1 A 96 96 SER C C 96 173.079 172.687 0.392 1
1 1147 . 4 1 1 A 97 97 PHE N N 97 114.813 118.596 -3.783 1
1 1148 . 4 1 1 A 97 97 PHE H H 97 7.991 8.462 -0.471 1
1 1149 . 4 1 1 A 97 97 PHE CA C 97 56.003 55.968 0.035 1
1 1150 . 4 1 1 A 97 97 PHE HA H 97 5.249 5.344 -0.095 1
1 1151 . 4 1 1 A 97 97 PHE CB C 97 42.008 42.000 0.008 1
1 1164 . 4 1 1 A 97 97 PHE C C 97 174.316 172.611 1.705 1
1 1165 . 4 1 1 A 98 98 ASP N N 98 121.809 119.142 2.667 1
1 1166 . 4 1 1 A 98 98 ASP H H 98 8.297 8.982 -0.685 1
1 1167 . 4 1 1 A 98 98 ASP CA C 98 54.789 52.706 2.083 1
1 1168 . 4 1 1 A 98 98 ASP HA H 98 5.006 5.519 -0.513 1
1 1169 . 4 1 1 A 98 98 ASP CB C 98 42.282 42.330 -0.048 1
1 1172 . 4 1 1 A 98 98 ASP C C 98 174.959 174.498 0.461 1
1 1173 . 4 1 1 A 99 99 ILE N N 99 126.714 126.044 0.670 1
1 1174 . 4 1 1 A 99 99 ILE H H 99 9.331 8.538 0.793 1
1 1175 . 4 1 1 A 99 99 ILE CA C 99 60.455 60.087 0.368 1
1 1176 . 4 1 1 A 99 99 ILE HA H 99 4.016 4.487 -0.471 1
1 1177 . 4 1 1 A 99 99 ILE CB C 99 42.110 39.963 2.147 1
1 1190 . 4 1 1 A 99 99 ILE C C 99 175.019 175.652 -0.633 1
1 1191 . 4 1 1 A 100 100 SER N N 100 122.590 119.281 3.309 1
1 1192 . 4 1 1 A 100 100 SER H H 100 8.345 8.597 -0.252 1
1 1193 . 4 1 1 A 100 100 SER CA C 100 58.848 56.366 2.482 1
1 1194 . 4 1 1 A 100 100 SER HA H 100 4.527 5.181 -0.654 1
1 1195 . 4 1 1 A 100 100 SER CB C 100 63.482 64.396 -0.914 1
1 1198 . 4 1 1 A 100 100 SER C C 100 173.557 174.498 -0.941 1
1 1199 . 4 1 1 A 101 101 LEU N N 101 124.776 125.275 -0.499 1
1 1200 . 4 1 1 A 101 101 LEU H H 101 8.277 8.951 -0.674 1
1 1201 . 4 1 1 A 101 101 LEU CA C 101 52.430 53.240 -0.810 1
1 1202 . 4 1 1 A 101 101 LEU HA H 101 4.375 4.503 -0.128 1
1 1203 . 4 1 1 A 101 101 LEU CB C 101 40.427 40.925 -0.498 1
1 1216 . 4 1 1 A 101 101 LEU C C 101 174.363 174.369 -0.006 1
1 1217 . 4 1 1 A 102 102 PRO CA C 102 62.488 62.262 0.226 1
1 1218 . 4 1 1 A 102 102 PRO HA H 102 4.259 4.300 -0.041 1
1 1219 . 4 1 1 A 102 102 PRO CB C 102 32.073 32.209 -0.136 1
1 1228 . 4 1 1 A 102 102 PRO C C 102 175.687 177.776 -2.089 1
1 1229 . 4 1 1 A 103 103 GLU N N 103 118.843 121.343 -2.500 1
1 1230 . 4 1 1 A 103 103 GLU H H 103 8.286 8.620 -0.334 1
1 1231 . 4 1 1 A 103 103 GLU CA C 103 58.131 59.010 -0.879 1
1 1232 . 4 1 1 A 103 103 GLU HA H 103 4.013 4.101 -0.088 1
1 1233 . 4 1 1 A 103 103 GLU CB C 103 30.344 29.073 1.271 1
1 1239 . 4 1 1 A 103 103 GLU C C 103 176.869 176.352 0.517 1
1 1240 . 4 1 1 A 104 104 LYS N N 104 116.544 115.674 0.870 1
1 1241 . 4 1 1 A 104 104 LYS H H 104 7.869 7.406 0.463 1
1 1242 . 4 1 1 A 104 104 LYS CA C 104 55.314 55.320 -0.006 1
1 1243 . 4 1 1 A 104 104 LYS HA H 104 4.474 4.718 -0.244 1
1 1244 . 4 1 1 A 104 104 LYS CB C 104 33.428 35.378 -1.950 1
1 1256 . 4 1 1 A 104 104 LYS C C 104 175.231 175.360 -0.129 1
1 1257 . 4 1 1 A 105 105 ILE N N 105 122.507 118.623 3.884 1
1 1258 . 4 1 1 A 105 105 ILE H H 105 8.236 8.852 -0.616 1
1 1259 . 4 1 1 A 105 105 ILE CA C 105 60.636 60.873 -0.237 1
1 1260 . 4 1 1 A 105 105 ILE HA H 105 4.190 4.573 -0.383 1
1 1261 . 4 1 1 A 105 105 ILE CB C 105 39.685 39.703 -0.018 1
1 1274 . 4 1 1 A 105 105 ILE C C 105 176.091 175.897 0.194 1
1 1275 . 4 1 1 A 106 106 GLN N N 106 124.467 119.504 4.963 1
1 1276 . 4 1 1 A 106 106 GLN H H 106 8.752 8.252 0.500 1
1 1277 . 4 1 1 A 106 106 GLN CA C 106 56.244 57.331 -1.087 1
1 1278 . 4 1 1 A 106 106 GLN HA H 106 4.243 4.114 0.129 1
1 1279 . 4 1 1 A 106 106 GLN CB C 106 28.717 26.586 2.131 1
1 1288 . 4 1 1 A 106 106 GLN C C 106 177.593 175.980 1.613 1
1 1289 . 4 1 1 A 107 107 SER N N 107 116.963 114.309 2.654 1
1 1290 . 4 1 1 A 107 107 SER H H 107 8.623 8.494 0.129 1
1 1291 . 4 1 1 A 107 107 SER CA C 107 60.530 59.219 1.311 1
1 1292 . 4 1 1 A 107 107 SER HA H 107 4.152 4.371 -0.219 1
1 1293 . 4 1 1 A 107 107 SER CB C 107 63.187 61.649 1.538 1
1 1296 . 4 1 1 A 107 107 SER C C 107 174.222 175.048 -0.826 1
1 1297 . 4 1 1 A 108 108 TYR N N 108 116.323 116.805 -0.482 1
1 1298 . 4 1 1 A 108 108 TYR H H 108 7.330 8.452 -1.122 1
1 1299 . 4 1 1 A 108 108 TYR CA C 108 56.727 57.091 -0.364 1
1 1300 . 4 1 1 A 108 108 TYR HA H 108 4.655 4.871 -0.216 1
1 1301 . 4 1 1 A 108 108 TYR CB C 108 37.491 40.013 -2.522 1
1 1312 . 4 1 1 A 108 108 TYR C C 108 175.768 174.530 1.238 1
1 1313 . 4 1 1 A 109 109 GLU N N 109 120.523 119.951 0.572 1
1 1314 . 4 1 1 A 109 109 GLU H H 109 7.587 7.629 -0.042 1
1 1315 . 4 1 1 A 109 109 GLU CA C 109 55.573 54.263 1.310 1
1 1316 . 4 1 1 A 109 109 GLU HA H 109 4.582 4.624 -0.042 1
1 1317 . 4 1 1 A 109 109 GLU CB C 109 31.360 34.366 -3.006 1
1 1323 . 4 1 1 A 109 109 GLU C C 109 176.013 174.031 1.982 1
1 1324 . 4 1 1 A 110 110 ARG N N 110 118.559 122.892 -4.333 1
1 1325 . 4 1 1 A 110 110 ARG H H 110 8.441 8.467 -0.026 1
1 1326 . 4 1 1 A 110 110 ARG CA C 110 55.667 55.497 0.170 1
1 1327 . 4 1 1 A 110 110 ARG HA H 110 4.786 4.861 -0.075 1
1 1328 . 4 1 1 A 110 110 ARG CB C 110 32.404 31.435 0.969 1
1 1339 . 4 1 1 A 110 110 ARG C C 110 174.387 174.686 -0.299 1
1 1340 . 4 1 1 A 111 111 MET N N 111 122.471 124.907 -2.436 1
1 1341 . 4 1 1 A 111 111 MET H H 111 8.665 8.820 -0.155 1
1 1342 . 4 1 1 A 111 111 MET CA C 111 54.151 54.449 -0.298 1
1 1343 . 4 1 1 A 111 111 MET HA H 111 5.167 4.982 0.185 1
1 1344 . 4 1 1 A 111 111 MET CB C 111 35.735 35.438 0.297 1
1 1354 . 4 1 1 A 111 111 MET C C 111 174.924 174.467 0.457 1
1 1355 . 4 1 1 A 112 112 GLU N N 112 119.500 125.369 -5.869 1
1 1356 . 4 1 1 A 112 112 GLU H H 112 7.951 8.042 -0.091 1
1 1357 . 4 1 1 A 112 112 GLU CA C 112 53.909 54.798 -0.889 1
1 1358 . 4 1 1 A 112 112 GLU HA H 112 5.662 5.130 0.532 1
1 1359 . 4 1 1 A 112 112 GLU CB C 112 35.198 34.476 0.722 1
1 1365 . 4 1 1 A 112 112 GLU C C 112 174.483 175.072 -0.589 1
1 1366 . 4 1 1 A 113 113 PHE N N 113 115.033 117.981 -2.948 1
1 1367 . 4 1 1 A 113 113 PHE H H 113 9.278 8.840 0.438 1
1 1368 . 4 1 1 A 113 113 PHE CA C 113 55.857 55.981 -0.124 1
1 1369 . 4 1 1 A 113 113 PHE HA H 113 6.262 5.668 0.594 1
1 1370 . 4 1 1 A 113 113 PHE CB C 113 43.656 42.790 0.866 1
1 1383 . 4 1 1 A 113 113 PHE C C 113 172.253 172.924 -0.671 1
1 1384 . 4 1 1 A 114 114 ALA N N 114 121.461 122.200 -0.739 1
1 1385 . 4 1 1 A 114 114 ALA H H 114 9.475 8.937 0.538 1
1 1386 . 4 1 1 A 114 114 ALA CA C 114 50.860 50.656 0.204 1
1 1387 . 4 1 1 A 114 114 ALA HA H 114 5.026 5.339 -0.313 1
1 1388 . 4 1 1 A 114 114 ALA CB C 114 23.129 23.093 0.036 1
1 1392 . 4 1 1 A 114 114 ALA C C 114 174.903 175.974 -1.071 1
1 1393 . 4 1 1 A 115 115 VAL N N 115 120.899 121.680 -0.781 1
1 1394 . 4 1 1 A 115 115 VAL H H 115 8.928 8.624 0.304 1
1 1395 . 4 1 1 A 115 115 VAL CA C 115 61.379 62.520 -1.141 1
1 1396 . 4 1 1 A 115 115 VAL HA H 115 4.798 4.694 0.104 1
1 1397 . 4 1 1 A 115 115 VAL CB C 115 34.712 32.206 2.506 1
1 1407 . 4 1 1 A 115 115 VAL C C 115 174.444 174.597 -0.153 1
1 1408 . 4 1 1 A 116 116 TYR N N 116 123.426 128.278 -4.852 1
1 1409 . 4 1 1 A 116 116 TYR H H 116 8.963 8.482 0.481 1
1 1410 . 4 1 1 A 116 116 TYR CA C 116 55.480 54.397 1.083 1
1 1411 . 4 1 1 A 116 116 TYR HA H 116 5.081 4.756 0.325 1
1 1412 . 4 1 1 A 116 116 TYR CB C 116 38.928 40.025 -1.097 1
1 1423 . 4 1 1 A 116 116 TYR C C 116 172.208 173.109 -0.901 1
1 1424 . 4 1 1 A 117 117 TYR N N 117 123.249 129.991 -6.742 1
1 1425 . 4 1 1 A 117 117 TYR H H 117 8.858 8.605 0.253 1
1 1426 . 4 1 1 A 117 117 TYR CA C 117 52.371 56.532 -4.161 1
1 1427 . 4 1 1 A 117 117 TYR HA H 117 5.528 4.825 0.703 1
1 1428 . 4 1 1 A 117 117 TYR CB C 117 41.509 40.528 0.981 1
1 1439 . 4 1 1 A 117 117 TYR C C 117 173.159 173.498 -0.339 1
1 1440 . 4 1 1 A 118 118 GLU N N 118 127.681 127.209 0.472 1
1 1441 . 4 1 1 A 118 118 GLU H H 118 9.368 8.593 0.775 1
1 1442 . 4 1 1 A 118 118 GLU CA C 118 54.179 54.943 -0.764 1
1 1443 . 4 1 1 A 118 118 GLU HA H 118 5.085 4.935 0.150 1
1 1444 . 4 1 1 A 118 118 GLU CB C 118 32.099 31.965 0.134 1
1 1450 . 4 1 1 A 118 118 GLU C C 118 175.565 174.415 1.150 1
1 1451 . 4 1 1 A 119 119 CYS N N 119 122.152 122.255 -0.103 1
1 1452 . 4 1 1 A 119 119 CYS H H 119 8.323 7.952 0.371 1
1 1453 . 4 1 1 A 119 119 CYS CA C 119 58.248 57.707 0.541 1
1 1454 . 4 1 1 A 119 119 CYS HA H 119 4.479 4.483 -0.004 1
1 1455 . 4 1 1 A 119 119 CYS CB C 119 29.065 30.355 -1.290 1
1 1458 . 4 1 1 A 119 119 CYS C C 119 174.586 173.089 1.497 1
1 1459 . 4 1 1 A 120 120 ASN N N 120 126.917 118.419 8.498 1
1 1460 . 4 1 1 A 120 120 ASN H H 120 9.858 9.170 0.688 1
1 1461 . 4 1 1 A 120 120 ASN CA C 120 53.735 54.410 -0.675 1
1 1462 . 4 1 1 A 120 120 ASN HA H 120 4.342 4.364 -0.022 1
1 1463 . 4 1 1 A 120 120 ASN CB C 120 37.873 37.397 0.476 1
1 1469 . 4 1 1 A 120 120 ASN C C 120 174.943 175.396 -0.453 1
1 1470 . 4 1 1 A 121 121 GLY N N 121 104.866 103.816 1.050 1
1 1471 . 4 1 1 A 121 121 GLY H H 121 8.776 8.579 0.197 1
1 1472 . 4 1 1 A 121 121 GLY CA C 121 45.586 46.434 -0.848 1
1 1473 . 4 1 1 A 121 121 GLY HA2 H 121 4.041 3.834 0.207 1
1 1474 . 4 1 1 A 121 121 GLY HA3 H 121 3.553 3.846 -0.293 1
1 1475 . 4 1 1 A 121 121 GLY C C 121 173.804 173.623 0.181 1
1 1476 . 4 1 1 A 122 122 GLN N N 122 119.988 118.628 1.360 1
1 1477 . 4 1 1 A 122 122 GLN H H 122 7.677 7.795 -0.118 1
1 1478 . 4 1 1 A 122 122 GLN CA C 122 53.624 53.573 0.051 1
1 1479 . 4 1 1 A 122 122 GLN HA H 122 4.395 4.746 -0.351 1
1 1480 . 4 1 1 A 122 122 GLN CB C 122 31.456 32.572 -1.116 1
1 1489 . 4 1 1 A 122 122 GLN C C 122 174.029 174.037 -0.008 1
1 1490 . 4 1 1 A 123 123 THR N N 123 116.337 115.518 0.819 1
1 1491 . 4 1 1 A 123 123 THR H H 123 7.990 8.264 -0.274 1
1 1492 . 4 1 1 A 123 123 THR CA C 123 61.935 60.941 0.994 1
1 1493 . 4 1 1 A 123 123 THR HA H 123 4.620 4.842 -0.222 1
1 1494 . 4 1 1 A 123 123 THR CB C 123 70.005 70.945 -0.940 1
1 1500 . 4 1 1 A 123 123 THR C C 123 172.596 172.990 -0.394 1
1 1501 . 4 1 1 A 124 124 TYR N N 124 128.915 124.877 4.038 1
1 1502 . 4 1 1 A 124 124 TYR H H 124 9.416 8.891 0.525 1
1 1503 . 4 1 1 A 124 124 TYR CA C 124 56.388 56.359 0.029 1
1 1504 . 4 1 1 A 124 124 TYR HA H 124 4.962 5.288 -0.326 1
1 1505 . 4 1 1 A 124 124 TYR CB C 124 40.688 41.212 -0.524 1
1 1516 . 4 1 1 A 124 124 TYR C C 124 174.284 174.463 -0.179 1
1 1517 . 4 1 1 A 125 125 TRP N N 125 119.850 123.618 -3.768 1
1 1518 . 4 1 1 A 125 125 TRP H H 125 8.738 9.201 -0.463 1
1 1519 . 4 1 1 A 125 125 TRP CA C 125 56.940 55.404 1.536 1
1 1520 . 4 1 1 A 125 125 TRP HA H 125 5.388 5.435 -0.047 1
1 1521 . 4 1 1 A 125 125 TRP CB C 125 33.031 31.896 1.135 1
1 1536 . 4 1 1 A 125 125 TRP C C 125 176.973 174.973 2.000 1
1 1537 . 4 1 1 A 126 126 ASP N N 126 118.759 125.785 -7.026 1
1 1538 . 4 1 1 A 126 126 ASP H H 126 9.436 9.000 0.436 1
1 1539 . 4 1 1 A 126 126 ASP CA C 126 53.968 53.224 0.744 1
1 1540 . 4 1 1 A 126 126 ASP HA H 126 5.213 5.237 -0.024 1
1 1541 . 4 1 1 A 126 126 ASP CB C 126 42.641 42.757 -0.116 1
1 1544 . 4 1 1 A 126 126 ASP C C 126 176.043 174.283 1.760 1
1 1545 . 4 1 1 A 127 127 SER N N 127 119.074 119.393 -0.319 1
1 1546 . 4 1 1 A 127 127 SER H H 127 8.520 8.710 -0.190 1
1 1547 . 4 1 1 A 127 127 SER CA C 127 55.118 56.418 -1.300 1
1 1548 . 4 1 1 A 127 127 SER HA H 127 4.811 5.089 -0.278 1
1 1549 . 4 1 1 A 127 127 SER CB C 127 63.866 65.034 -1.168 1
1 1552 . 4 1 1 A 127 127 SER C C 127 175.840 173.652 2.188 1
1 1553 . 4 1 1 A 128 128 ASN N N 128 124.865 118.997 5.868 1
1 1554 . 4 1 1 A 128 128 ASN H H 128 9.242 8.356 0.886 1
1 1555 . 4 1 1 A 128 128 ASN CA C 128 53.224 53.246 -0.022 1
1 1556 . 4 1 1 A 128 128 ASN HA H 128 4.071 3.172 0.899 1
1 1557 . 4 1 1 A 128 128 ASN CB C 128 34.281 36.662 -2.381 1
1 1563 . 4 1 1 A 128 128 ASN C C 128 176.607 174.013 2.594 1
1 1564 . 4 1 1 A 129 129 ARG N N 129 114.718 112.165 2.553 1
1 1565 . 4 1 1 A 129 129 ARG H H 129 9.475 8.248 1.227 1
1 1566 . 4 1 1 A 129 129 ARG CA C 129 56.798 56.944 -0.146 1
1 1567 . 4 1 1 A 129 129 ARG HA H 129 3.774 3.821 -0.047 1
1 1568 . 4 1 1 A 129 129 ARG CB C 129 27.145 28.041 -0.896 1
1 1579 . 4 1 1 A 129 129 ARG C C 129 176.132 175.719 0.413 1
1 1580 . 4 1 1 A 130 130 GLY N N 130 106.337 105.777 0.560 1
1 1581 . 4 1 1 A 130 130 GLY H H 130 7.568 7.218 0.350 1
1 1582 . 4 1 1 A 130 130 GLY CA C 130 44.896 46.101 -1.205 1
1 1583 . 4 1 1 A 130 130 GLY HA2 H 130 4.103 4.068 0.035 1
1 1584 . 4 1 1 A 130 130 GLY HA3 H 130 3.425 4.087 -0.662 1
1 1585 . 4 1 1 A 130 130 GLY C C 130 174.521 173.948 0.573 1
1 1586 . 4 1 1 A 131 131 LYS N N 131 119.902 124.426 -4.524 1
1 1587 . 4 1 1 A 131 131 LYS H H 131 7.278 8.160 -0.882 1
1 1588 . 4 1 1 A 131 131 LYS CA C 131 57.336 57.879 -0.543 1
1 1589 . 4 1 1 A 131 131 LYS HA H 131 4.132 4.178 -0.046 1
1 1590 . 4 1 1 A 131 131 LYS CB C 131 33.719 32.744 0.975 1
1 1602 . 4 1 1 A 131 131 LYS C C 131 177.813 176.467 1.346 1
1 1603 . 4 1 1 A 132 132 ASN N N 132 107.489 111.648 -4.159 1
1 1604 . 4 1 1 A 132 132 ASN H H 132 8.268 7.582 0.686 1
1 1605 . 4 1 1 A 132 132 ASN CA C 132 54.717 52.042 2.675 1
1 1606 . 4 1 1 A 132 132 ASN HA H 132 3.691 4.734 -1.043 1
1 1607 . 4 1 1 A 132 132 ASN CB C 132 39.462 40.834 -1.372 1
1 1613 . 4 1 1 A 132 132 ASN C C 132 172.611 172.919 -0.308 1
1 1614 . 4 1 1 A 133 133 TYR N N 133 120.541 120.283 0.258 1
1 1615 . 4 1 1 A 133 133 TYR H H 133 8.696 8.270 0.426 1
1 1616 . 4 1 1 A 133 133 TYR CA C 133 58.334 58.801 -0.467 1
1 1617 . 4 1 1 A 133 133 TYR HA H 133 3.879 4.350 -0.471 1
1 1618 . 4 1 1 A 133 133 TYR CB C 133 35.955 39.014 -3.059 1
1 1627 . 4 1 1 A 133 133 TYR C C 133 175.026 175.242 -0.216 1
1 1628 . 4 1 1 A 134 134 ARG N N 134 123.205 121.703 1.502 1
1 1629 . 4 1 1 A 134 134 ARG H H 134 8.584 9.203 -0.619 1
1 1630 . 4 1 1 A 134 134 ARG CA C 134 56.025 55.631 0.394 1
1 1631 . 4 1 1 A 134 134 ARG HA H 134 5.043 4.980 0.063 1
1 1632 . 4 1 1 A 134 134 ARG CB C 134 32.734 30.597 2.137 1
1 1643 . 4 1 1 A 134 134 ARG C C 134 174.511 175.021 -0.510 1
1 1644 . 4 1 1 A 135 135 ILE N N 135 124.430 126.109 -1.679 1
1 1645 . 4 1 1 A 135 135 ILE H H 135 8.429 8.282 0.147 1
1 1646 . 4 1 1 A 135 135 ILE CA C 135 61.078 61.512 -0.434 1
1 1647 . 4 1 1 A 135 135 ILE HA H 135 4.797 4.442 0.355 1
1 1648 . 4 1 1 A 135 135 ILE CB C 135 39.875 37.115 2.760 1
1 1661 . 4 1 1 A 135 135 ILE C C 135 175.279 175.638 -0.359 1
1 1662 . 4 1 1 A 136 136 ILE N N 136 120.496 123.435 -2.939 1
1 1663 . 4 1 1 A 136 136 ILE H H 136 9.000 8.539 0.461 1
1 1664 . 4 1 1 A 136 136 ILE CA C 136 59.359 59.244 0.115 1
1 1665 . 4 1 1 A 136 136 ILE HA H 136 5.028 5.221 -0.193 1
1 1666 . 4 1 1 A 136 136 ILE CB C 136 42.170 40.803 1.367 1
1 1679 . 4 1 1 A 136 136 ILE C C 136 175.144 175.010 0.134 1
1 1680 . 4 1 1 A 137 137 ARG N N 137 122.183 123.335 -1.152 1
1 1681 . 4 1 1 A 137 137 ARG H H 137 8.535 8.595 -0.060 1
1 1682 . 4 1 1 A 137 137 ARG CA C 137 56.339 54.752 1.587 1
1 1683 . 4 1 1 A 137 137 ARG HA H 137 4.402 4.225 0.177 1
1 1684 . 4 1 1 A 137 137 ARG CB C 137 30.696 31.671 -0.975 1
1 1695 . 4 1 1 A 137 137 ARG C C 137 176.646 177.232 -0.586 1
1 1696 . 4 1 1 A 138 138 ALA N N 138 126.694 125.853 0.841 1
1 1697 . 4 1 1 A 138 138 ALA H H 138 8.353 8.193 0.160 1
1 1698 . 4 1 1 A 138 138 ALA CA C 138 52.808 54.804 -1.996 1
1 1699 . 4 1 1 A 138 138 ALA HA H 138 4.134 3.978 0.156 1
1 1700 . 4 1 1 A 138 138 ALA CB C 138 19.536 18.062 1.474 1
1 1704 . 4 1 1 A 138 138 ALA C C 138 177.637 179.766 -2.129 1
1 1705 . 4 1 1 A 139 139 GLU N N 139 119.890 116.200 3.690 1
1 1706 . 4 1 1 A 139 139 GLU H H 139 8.615 8.143 0.472 1
1 1707 . 4 1 1 A 139 139 GLU CA C 139 56.586 58.778 -2.192 1
1 1708 . 4 1 1 A 139 139 GLU HA H 139 4.268 4.050 0.218 1
1 1709 . 4 1 1 A 139 139 GLU CB C 139 30.137 28.231 1.906 1
1 1715 . 4 1 1 A 139 139 GLU C C 139 176.488 178.399 -1.911 1
1 1716 . 4 1 1 A 140 140 LEU N N 140 123.350 119.150 4.200 1
1 1717 . 4 1 1 A 140 140 LEU H H 140 8.224 7.650 0.574 1
1 1718 . 4 1 1 A 140 140 LEU CA C 140 55.185 57.332 -2.147 1
1 1719 . 4 1 1 A 140 140 LEU HA H 140 4.339 4.277 0.062 1
1 1720 . 4 1 1 A 140 140 LEU CB C 140 42.294 41.944 0.350 1
1 1733 . 4 1 1 A 140 140 LEU C C 140 177.456 177.586 -0.130 1
1 1734 . 4 1 1 A 141 141 LYS N N 141 122.155 120.722 1.433 1
1 1735 . 4 1 1 A 141 141 LYS H H 141 8.239 7.099 1.140 1
1 1736 . 4 1 1 A 141 141 LYS CA C 141 56.480 57.302 -0.822 1
1 1737 . 4 1 1 A 141 141 LYS HA H 141 4.309 4.126 0.183 1
1 1738 . 4 1 1 A 141 141 LYS CB C 141 32.976 33.012 -0.036 1
1 1750 . 4 1 1 A 141 141 LYS C C 141 176.734 176.442 0.292 1
1 1751 . 4 1 1 A 142 142 SER N N 142 116.816 121.908 -5.092 1
1 1752 . 4 1 1 A 142 142 SER H H 142 8.369 8.541 -0.172 1
1 1753 . 4 1 1 A 142 142 SER CA C 142 58.425 59.527 -1.102 1
1 1754 . 4 1 1 A 142 142 SER HA H 142 4.529 4.338 0.191 1
1 1755 . 4 1 1 A 142 142 SER CB C 142 63.836 64.135 -0.299 1
1 1758 . 4 1 1 A 142 142 SER C C 142 175.185 174.685 0.500 1
1 1759 . 4 1 1 A 143 143 THR N N 143 115.566 117.773 -2.207 1
1 1760 . 4 1 1 A 143 143 THR H H 143 8.235 8.363 -0.128 1
1 1761 . 4 1 1 A 143 143 THR CA C 143 61.999 60.781 1.218 1
1 1762 . 4 1 1 A 143 143 THR HA H 143 4.389 4.634 -0.245 1
1 1763 . 4 1 1 A 143 143 THR CB C 143 69.634 69.601 0.033 1
1 1769 . 4 1 1 A 143 143 THR C C 143 174.937 174.446 0.491 1
1 1770 . 4 1 1 A 144 144 GLN N N 144 122.469 122.813 -0.344 1
1 1771 . 4 1 1 A 144 144 GLN H H 144 8.345 8.158 0.187 1
1 1772 . 4 1 1 A 144 144 GLN CA C 144 56.480 57.861 -1.381 1
1 1773 . 4 1 1 A 144 144 GLN HA H 144 4.307 4.328 -0.021 1
1 1774 . 4 1 1 A 144 144 GLN CB C 144 29.307 29.744 -0.437 1
1 1783 . 4 1 1 A 144 144 GLN C C 144 176.536 177.264 -0.728 1
1 1784 . 4 1 1 A 145 145 GLY N N 145 110.021 107.493 2.528 1
1 1785 . 4 1 1 A 145 145 GLY H H 145 8.461 7.789 0.672 1
1 1786 . 4 1 1 A 145 145 GLY CA C 145 45.355 45.520 -0.165 1
1 1787 . 4 1 1 A 145 145 GLY HA2 H 145 3.967 3.995 -0.028 1
1 1788 . 4 1 1 A 145 145 GLY HA3 H 145 3.967 3.997 -0.030 1
1 1789 . 4 1 1 A 145 145 GLY C C 145 174.123 173.217 0.906 1
1 1790 . 4 1 1 A 146 146 MET N N 146 119.836 117.238 2.598 1
1 1791 . 4 1 1 A 146 146 MET H H 146 8.197 8.652 -0.455 1
1 1792 . 4 1 1 A 146 146 MET CA C 146 55.594 54.131 1.463 1
1 1793 . 4 1 1 A 146 146 MET HA H 146 4.538 5.039 -0.501 1
1 1794 . 4 1 1 A 146 146 MET CB C 146 33.090 35.672 -2.582 1
1 1804 . 4 1 1 A 146 146 MET C C 146 176.454 174.780 1.674 1
1 1805 . 4 1 1 A 147 147 THR N N 147 116.248 112.952 3.296 1
1 1806 . 4 1 1 A 147 147 THR H H 147 8.239 8.450 -0.211 1
1 1807 . 4 1 1 A 147 147 THR CA C 147 61.959 62.555 -0.596 1
1 1808 . 4 1 1 A 147 147 THR HA H 147 4.318 4.263 0.055 1
1 1809 . 4 1 1 A 147 147 THR CB C 147 69.875 69.414 0.461 1
1 1815 . 4 1 1 A 147 147 THR C C 147 174.141 173.764 0.377 1
1 1816 . 4 1 1 A 148 148 LYS N N 148 125.399 125.190 0.209 1
1 1817 . 4 1 1 A 148 148 LYS H H 148 8.387 8.584 -0.197 1
1 1818 . 4 1 1 A 148 148 LYS CA C 148 54.186 52.997 1.189 1
1 1819 . 4 1 1 A 148 148 LYS HA H 148 4.617 4.869 -0.252 1
1 1820 . 4 1 1 A 148 148 LYS CB C 148 32.651 35.994 -3.343 1
1 1832 . 4 1 1 A 148 148 LYS C C 148 174.388 175.417 -1.029 1
1 1833 . 4 1 1 A 149 149 PRO CA C 149 63.178 62.612 0.566 1
1 1834 . 4 1 1 A 149 149 PRO HA H 149 4.406 4.668 -0.262 1
1 1835 . 4 1 1 A 149 149 PRO CB C 149 32.164 33.128 -0.964 1
1 1844 . 4 1 1 A 150 150 HIS CA C 150 56.264 55.440 0.824 1
1 1845 . 4 1 1 A 150 150 HIS HA H 150 4.626 5.094 -0.468 1
1 1846 . 4 1 1 A 150 150 HIS CB C 150 30.574 32.944 -2.370 1
1 1852 . 4 1 1 A 151 151 SER CA C 151 58.018 56.972 1.046 1
1 1853 . 4 1 1 A 151 151 SER HA H 151 4.475 4.987 -0.512 1
1 1854 . 4 1 1 A 151 151 SER CB C 151 64.139 64.748 -0.609 1
1 1856 . 4 1 1 A 151 151 SER C C 151 174.253 173.400 0.853 1
1 1857 . 4 1 1 A 152 152 GLY N N 152 110.964 110.340 0.624 1
1 1858 . 4 1 1 A 152 152 GLY H H 152 8.276 8.650 -0.374 1
1 1859 . 4 1 1 A 152 152 GLY CA C 152 44.637 44.239 0.398 1
1 1860 . 4 1 1 A 152 152 GLY HA2 H 152 4.120 4.335 -0.215 1
1 1861 . 4 1 1 A 152 152 GLY HA3 H 152 4.120 4.345 -0.225 1
1 1862 . 4 1 1 A 152 152 GLY C C 152 171.668 172.510 -0.842 1
1 1863 . 4 1 1 A 153 153 PRO CA C 153 63.147 62.440 0.707 1
1 1864 . 4 1 1 A 153 153 PRO HA H 153 4.425 4.567 -0.142 1
1 1865 . 4 1 1 A 153 153 PRO CB C 153 32.149 32.883 -0.734 1
1 1874 . 4 1 1 A 153 153 PRO C C 153 176.656 174.884 1.772 1
1 1875 . 4 1 1 A 154 154 ASP N N 154 120.420 119.895 0.525 1
1 1876 . 4 1 1 A 154 154 ASP H H 154 8.463 8.333 0.130 1
1 1877 . 4 1 1 A 154 154 ASP CA C 154 54.429 52.540 1.889 1
1 1878 . 4 1 1 A 154 154 ASP HA H 154 4.575 5.049 -0.474 1
1 1879 . 4 1 1 A 154 154 ASP CB C 154 40.979 44.040 -3.061 1
1 1882 . 4 1 1 A 154 154 ASP C C 154 176.163 176.846 -0.683 1
1 1883 . 4 1 1 A 155 155 LEU N N 155 123.563 125.908 -2.345 1
1 1884 . 4 1 1 A 155 155 LEU H H 155 8.266 8.750 -0.484 1
1 1885 . 4 1 1 A 155 155 LEU CA C 155 55.022 57.712 -2.690 1
1 1886 . 4 1 1 A 155 155 LEU HA H 155 4.358 3.926 0.432 1
1 1887 . 4 1 1 A 155 155 LEU CB C 155 42.157 42.235 -0.078 1
1 1900 . 4 1 1 A 155 155 LEU C C 155 176.990 177.079 -0.089 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.655 57.358 1.297 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.501 4.836 -0.335 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.644 64.362 -0.718 1
1 6 . 5 1 1 A 6 6 SER C C 6 175.063 174.329 0.734 1
1 7 . 5 1 1 A 7 7 GLY N N 7 111.113 111.368 -0.255 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.473 8.601 -0.128 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.373 45.835 -0.462 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 3.967 4.271 -0.304 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 3.967 4.271 -0.304 1
1 12 . 5 1 1 A 7 7 GLY C C 7 173.934 171.908 2.026 1
1 13 . 5 1 1 A 8 8 ALA N N 8 123.788 124.324 -0.536 1
1 14 . 5 1 1 A 8 8 ALA H H 8 8.197 8.681 -0.484 1
1 15 . 5 1 1 A 8 8 ALA CA C 8 52.548 51.188 1.360 1
1 16 . 5 1 1 A 8 8 ALA HA H 8 4.342 5.075 -0.733 1
1 17 . 5 1 1 A 8 8 ALA CB C 8 19.403 23.378 -3.975 1
1 21 . 5 1 1 A 8 8 ALA C C 8 177.902 175.756 2.146 1
1 22 . 5 1 1 A 9 9 GLU N N 9 120.004 118.878 1.126 1
1 23 . 5 1 1 A 9 9 GLU H H 9 8.524 8.878 -0.354 1
1 24 . 5 1 1 A 9 9 GLU CA C 9 56.763 54.730 2.033 1
1 25 . 5 1 1 A 9 9 GLU HA H 9 4.308 5.183 -0.875 1
1 26 . 5 1 1 A 9 9 GLU CB C 9 30.161 32.536 -2.375 1
1 32 . 5 1 1 A 9 9 GLU C C 9 176.646 175.197 1.449 1
1 33 . 5 1 1 A 10 10 SER N N 10 116.268 118.973 -2.705 1
1 34 . 5 1 1 A 10 10 SER H H 10 8.305 8.903 -0.598 1
1 35 . 5 1 1 A 10 10 SER CA C 10 58.426 57.531 0.895 1
1 36 . 5 1 1 A 10 10 SER HA H 10 4.429 5.157 -0.728 1
1 37 . 5 1 1 A 10 10 SER CB C 10 63.933 66.788 -2.855 1
1 40 . 5 1 1 A 10 10 SER C C 10 174.267 173.155 1.112 1
1 41 . 5 1 1 A 11 11 GLU N N 11 122.435 123.830 -1.395 1
1 42 . 5 1 1 A 11 11 GLU H H 11 8.368 8.526 -0.158 1
1 43 . 5 1 1 A 11 11 GLU CA C 11 56.233 57.041 -0.808 1
1 44 . 5 1 1 A 11 11 GLU HA H 11 4.367 4.483 -0.116 1
1 45 . 5 1 1 A 11 11 GLU CB C 11 30.692 30.637 0.055 1
1 51 . 5 1 1 A 11 11 GLU C C 11 175.800 176.454 -0.654 1
1 52 . 5 1 1 A 12 12 SER N N 12 116.596 118.547 -1.951 1
1 53 . 5 1 1 A 12 12 SER H H 12 8.299 8.792 -0.493 1
1 54 . 5 1 1 A 12 12 SER CA C 12 58.355 56.570 1.785 1
1 55 . 5 1 1 A 12 12 SER HA H 12 4.457 4.768 -0.311 1
1 56 . 5 1 1 A 12 12 SER CB C 12 64.573 65.217 -0.644 1
1 59 . 5 1 1 A 12 12 SER C C 12 173.309 173.675 -0.366 1
1 60 . 5 1 1 A 13 13 PHE N N 13 121.293 120.501 0.792 1
1 61 . 5 1 1 A 13 13 PHE H H 13 8.346 8.980 -0.634 1
1 62 . 5 1 1 A 13 13 PHE CA C 13 56.851 56.332 0.519 1
1 63 . 5 1 1 A 13 13 PHE HA H 13 5.384 5.351 0.033 1
1 64 . 5 1 1 A 13 13 PHE CB C 13 42.542 43.360 -0.818 1
1 77 . 5 1 1 A 13 13 PHE C C 13 174.500 174.544 -0.044 1
1 78 . 5 1 1 A 14 14 VAL N N 14 116.020 116.187 -0.167 1
1 79 . 5 1 1 A 14 14 VAL H H 14 9.313 8.994 0.319 1
1 80 . 5 1 1 A 14 14 VAL CA C 14 60.141 59.416 0.725 1
1 81 . 5 1 1 A 14 14 VAL HA H 14 4.455 4.907 -0.452 1
1 82 . 5 1 1 A 14 14 VAL CB C 14 36.318 36.116 0.202 1
1 92 . 5 1 1 A 14 14 VAL C C 14 174.668 174.558 0.110 1
1 93 . 5 1 1 A 15 15 LEU N N 15 121.725 122.095 -0.370 1
1 94 . 5 1 1 A 15 15 LEU H H 15 8.476 8.529 -0.053 1
1 95 . 5 1 1 A 15 15 LEU CA C 15 54.800 53.062 1.738 1
1 96 . 5 1 1 A 15 15 LEU HA H 15 4.403 4.798 -0.395 1
1 97 . 5 1 1 A 15 15 LEU CB C 15 39.816 43.018 -3.202 1
1 110 . 5 1 1 A 15 15 LEU C C 15 177.001 176.323 0.678 1
1 111 . 5 1 1 A 16 16 ASP N N 16 126.576 124.834 1.742 1
1 112 . 5 1 1 A 16 16 ASP H H 16 8.766 8.469 0.297 1
1 113 . 5 1 1 A 16 16 ASP CA C 16 52.828 53.235 -0.407 1
1 114 . 5 1 1 A 16 16 ASP HA H 16 5.081 4.813 0.268 1
1 115 . 5 1 1 A 16 16 ASP CB C 16 42.268 40.871 1.397 1
1 118 . 5 1 1 A 16 16 ASP C C 16 174.640 175.455 -0.815 1
1 119 . 5 1 1 A 17 17 PHE N N 17 112.958 117.487 -4.529 1
1 120 . 5 1 1 A 17 17 PHE H H 17 6.915 7.035 -0.120 1
1 121 . 5 1 1 A 17 17 PHE CA C 17 55.489 56.041 -0.552 1
1 122 . 5 1 1 A 17 17 PHE HA H 17 4.938 5.212 -0.274 1
1 123 . 5 1 1 A 17 17 PHE CB C 17 39.154 41.792 -2.638 1
1 136 . 5 1 1 A 17 17 PHE C C 17 173.746 173.072 0.674 1
1 137 . 5 1 1 A 18 18 SER N N 18 114.977 117.372 -2.395 1
1 138 . 5 1 1 A 18 18 SER H H 18 8.569 8.993 -0.424 1
1 139 . 5 1 1 A 18 18 SER CA C 18 57.046 58.581 -1.535 1
1 140 . 5 1 1 A 18 18 SER HA H 18 4.670 4.696 -0.026 1
1 141 . 5 1 1 A 18 18 SER CB C 18 63.974 63.877 0.097 1
1 144 . 5 1 1 A 18 18 SER C C 18 175.437 174.921 0.516 1
1 145 . 5 1 1 A 19 19 GLN N N 19 123.586 123.288 0.298 1
1 146 . 5 1 1 A 19 19 GLN H H 19 9.033 8.557 0.476 1
1 147 . 5 1 1 A 19 19 GLN CA C 19 54.023 55.059 -1.036 1
1 148 . 5 1 1 A 19 19 GLN HA H 19 4.558 4.512 0.046 1
1 149 . 5 1 1 A 19 19 GLN CB C 19 27.994 28.426 -0.432 1
1 158 . 5 1 1 A 19 19 GLN C C 19 177.642 176.297 1.345 1
1 159 . 5 1 1 A 20 20 PRO CA C 20 65.836 65.166 0.670 1
1 160 . 5 1 1 A 20 20 PRO HA H 20 4.370 4.507 -0.137 1
1 161 . 5 1 1 A 20 20 PRO CB C 20 32.556 32.349 0.207 1
1 170 . 5 1 1 A 20 20 PRO C C 20 178.374 177.835 0.539 1
1 171 . 5 1 1 A 21 21 SER N N 21 104.386 112.078 -7.692 1
1 172 . 5 1 1 A 21 21 SER H H 21 7.216 7.858 -0.642 1
1 173 . 5 1 1 A 21 21 SER CA C 21 58.886 60.774 -1.888 1
1 174 . 5 1 1 A 21 21 SER HA H 21 3.271 3.858 -0.587 1
1 175 . 5 1 1 A 21 21 SER CB C 21 62.401 63.094 -0.693 1
1 178 . 5 1 1 A 21 21 SER C C 21 174.423 176.843 -2.420 1
1 179 . 5 1 1 A 22 22 ALA N N 22 123.008 123.016 -0.008 1
1 180 . 5 1 1 A 22 22 ALA H H 22 7.700 7.906 -0.206 1
1 181 . 5 1 1 A 22 22 ALA CA C 22 53.968 55.363 -1.395 1
1 182 . 5 1 1 A 22 22 ALA HA H 22 4.198 4.100 0.098 1
1 183 . 5 1 1 A 22 22 ALA CB C 22 18.504 19.008 -0.504 1
1 187 . 5 1 1 A 22 22 ALA C C 22 177.624 177.409 0.215 1
1 188 . 5 1 1 A 23 23 ASP N N 23 117.789 117.529 0.260 1
1 189 . 5 1 1 A 23 23 ASP H H 23 7.080 7.683 -0.603 1
1 190 . 5 1 1 A 23 23 ASP CA C 23 52.151 52.798 -0.647 1
1 191 . 5 1 1 A 23 23 ASP HA H 23 4.893 4.931 -0.038 1
1 192 . 5 1 1 A 23 23 ASP CB C 23 40.592 41.145 -0.553 1
1 195 . 5 1 1 A 23 23 ASP C C 23 175.032 175.820 -0.788 1
1 196 . 5 1 1 A 24 24 TYR N N 24 123.295 126.382 -3.087 1
1 197 . 5 1 1 A 24 24 TYR H H 24 8.217 8.925 -0.708 1
1 198 . 5 1 1 A 24 24 TYR CA C 24 61.711 61.667 0.044 1
1 199 . 5 1 1 A 24 24 TYR HA H 24 4.196 4.071 0.125 1
1 200 . 5 1 1 A 24 24 TYR CB C 24 38.456 39.485 -1.029 1
1 211 . 5 1 1 A 24 24 TYR C C 24 177.434 177.215 0.219 1
1 212 . 5 1 1 A 25 25 LEU N N 25 119.429 121.146 -1.717 1
1 213 . 5 1 1 A 25 25 LEU H H 25 8.074 8.476 -0.402 1
1 214 . 5 1 1 A 25 25 LEU CA C 25 57.691 58.481 -0.790 1
1 215 . 5 1 1 A 25 25 LEU HA H 25 3.967 3.914 0.053 1
1 216 . 5 1 1 A 25 25 LEU CB C 25 41.388 41.626 -0.238 1
1 229 . 5 1 1 A 25 25 LEU C C 25 178.768 178.424 0.344 1
1 230 . 5 1 1 A 26 26 ASP N N 26 119.881 118.832 1.049 1
1 231 . 5 1 1 A 26 26 ASP H H 26 7.561 8.308 -0.747 1
1 232 . 5 1 1 A 26 26 ASP CA C 26 57.625 56.802 0.823 1
1 233 . 5 1 1 A 26 26 ASP HA H 26 4.367 4.353 0.014 1
1 234 . 5 1 1 A 26 26 ASP CB C 26 42.955 41.359 1.596 1
1 237 . 5 1 1 A 26 26 ASP C C 26 177.657 178.524 -0.867 1
1 238 . 5 1 1 A 27 27 PHE N N 27 118.946 120.538 -1.592 1
1 239 . 5 1 1 A 27 27 PHE H H 27 8.750 8.400 0.350 1
1 240 . 5 1 1 A 27 27 PHE CA C 27 61.323 61.098 0.225 1
1 241 . 5 1 1 A 27 27 PHE HA H 27 4.088 4.136 -0.048 1
1 242 . 5 1 1 A 27 27 PHE CB C 27 39.606 39.500 0.106 1
1 255 . 5 1 1 A 27 27 PHE C C 27 176.662 177.178 -0.516 1
1 256 . 5 1 1 A 28 28 ARG N N 28 116.744 118.559 -1.815 1
1 257 . 5 1 1 A 28 28 ARG H H 28 8.079 8.523 -0.444 1
1 258 . 5 1 1 A 28 28 ARG CA C 28 59.051 58.746 0.305 1
1 259 . 5 1 1 A 28 28 ARG HA H 28 3.590 3.931 -0.341 1
1 260 . 5 1 1 A 28 28 ARG CB C 28 29.516 30.057 -0.541 1
1 269 . 5 1 1 A 28 28 ARG C C 28 179.306 178.198 1.108 1
1 270 . 5 1 1 A 29 29 ASN N N 29 119.381 117.810 1.571 1
1 271 . 5 1 1 A 29 29 ASN H H 29 8.106 8.285 -0.179 1
1 272 . 5 1 1 A 29 29 ASN CA C 29 55.861 55.778 0.083 1
1 273 . 5 1 1 A 29 29 ASN HA H 29 4.361 4.384 -0.023 1
1 274 . 5 1 1 A 29 29 ASN CB C 29 37.622 37.981 -0.359 1
1 280 . 5 1 1 A 29 29 ASN C C 29 178.555 178.299 0.256 1
1 281 . 5 1 1 A 30 30 ARG N N 30 123.244 120.089 3.155 1
1 282 . 5 1 1 A 30 30 ARG H H 30 8.640 7.905 0.735 1
1 283 . 5 1 1 A 30 30 ARG CA C 30 59.708 58.663 1.045 1
1 284 . 5 1 1 A 30 30 ARG HA H 30 3.912 3.962 -0.050 1
1 285 . 5 1 1 A 30 30 ARG CB C 30 30.910 30.125 0.785 1
1 296 . 5 1 1 A 30 30 ARG C C 30 178.651 179.186 -0.535 1
1 297 . 5 1 1 A 31 31 LEU N N 31 119.911 121.006 -1.095 1
1 298 . 5 1 1 A 31 31 LEU H H 31 7.988 7.624 0.364 1
1 299 . 5 1 1 A 31 31 LEU CA C 31 58.049 57.096 0.953 1
1 300 . 5 1 1 A 31 31 LEU HA H 31 3.409 3.889 -0.480 1
1 301 . 5 1 1 A 31 31 LEU CB C 31 41.342 40.987 0.355 1
1 314 . 5 1 1 A 31 31 LEU C C 31 178.698 177.998 0.700 1
1 315 . 5 1 1 A 32 32 GLN N N 32 114.904 118.352 -3.448 1
1 316 . 5 1 1 A 32 32 GLN H H 32 7.416 7.627 -0.211 1
1 317 . 5 1 1 A 32 32 GLN CA C 32 58.019 57.585 0.434 1
1 318 . 5 1 1 A 32 32 GLN HA H 32 3.891 4.014 -0.123 1
1 319 . 5 1 1 A 32 32 GLN CB C 32 28.679 28.676 0.003 1
1 328 . 5 1 1 A 32 32 GLN C C 32 176.457 176.977 -0.520 1
1 329 . 5 1 1 A 33 33 ALA N N 33 119.088 121.029 -1.941 1
1 330 . 5 1 1 A 33 33 ALA H H 33 7.791 7.640 0.151 1
1 331 . 5 1 1 A 33 33 ALA CA C 33 54.057 53.132 0.925 1
1 332 . 5 1 1 A 33 33 ALA HA H 33 4.099 4.131 -0.032 1
1 333 . 5 1 1 A 33 33 ALA CB C 33 19.921 19.132 0.789 1
1 337 . 5 1 1 A 33 33 ALA C C 33 178.303 177.616 0.687 1
1 338 . 5 1 1 A 34 34 ASP N N 34 115.377 116.828 -1.451 1
1 339 . 5 1 1 A 34 34 ASP H H 34 8.662 8.014 0.648 1
1 340 . 5 1 1 A 34 34 ASP CA C 34 55.153 53.734 1.419 1
1 341 . 5 1 1 A 34 34 ASP HA H 34 4.698 4.468 0.230 1
1 342 . 5 1 1 A 34 34 ASP CB C 34 41.976 41.553 0.423 1
1 345 . 5 1 1 A 34 34 ASP C C 34 177.531 175.400 2.131 1
1 346 . 5 1 1 A 35 35 HIS N N 35 108.110 116.228 -8.118 1
1 347 . 5 1 1 A 35 35 HIS H H 35 7.018 7.672 -0.654 1
1 348 . 5 1 1 A 35 35 HIS CA C 35 58.336 57.037 1.299 1
1 349 . 5 1 1 A 35 35 HIS HA H 35 4.543 4.412 0.131 1
1 350 . 5 1 1 A 35 35 HIS CB C 35 26.472 26.781 -0.309 1
1 357 . 5 1 1 A 35 35 HIS C C 35 171.507 173.456 -1.949 1
1 358 . 5 1 1 A 36 36 VAL N N 36 115.529 116.792 -1.263 1
1 359 . 5 1 1 A 36 36 VAL H H 36 7.065 7.422 -0.357 1
1 360 . 5 1 1 A 36 36 VAL CA C 36 58.549 60.763 -2.214 1
1 361 . 5 1 1 A 36 36 VAL HA H 36 4.867 4.445 0.422 1
1 362 . 5 1 1 A 36 36 VAL CB C 36 33.135 34.265 -1.130 1
1 372 . 5 1 1 A 36 36 VAL C C 36 171.953 173.744 -1.791 1
1 373 . 5 1 1 A 37 37 CYS N N 37 124.685 124.696 -0.011 1
1 374 . 5 1 1 A 37 37 CYS H H 37 8.694 8.250 0.444 1
1 375 . 5 1 1 A 37 37 CYS CA C 37 59.979 58.494 1.485 1
1 376 . 5 1 1 A 37 37 CYS HA H 37 4.594 4.998 -0.404 1
1 377 . 5 1 1 A 37 37 CYS CB C 37 29.016 31.217 -2.201 1
1 380 . 5 1 1 A 37 37 CYS C C 37 173.445 172.981 0.464 1
1 381 . 5 1 1 A 38 38 LEU N N 38 132.291 127.227 5.064 1
1 382 . 5 1 1 A 38 38 LEU H H 38 9.625 8.562 1.063 1
1 383 . 5 1 1 A 38 38 LEU CA C 38 57.958 55.392 2.566 1
1 384 . 5 1 1 A 38 38 LEU HA H 38 4.167 4.781 -0.614 1
1 385 . 5 1 1 A 38 38 LEU CB C 38 42.189 42.917 -0.728 1
1 398 . 5 1 1 A 38 38 LEU C C 38 173.188 176.799 -3.611 1
1 399 . 5 1 1 A 39 39 GLU N N 39 127.988 128.238 -0.250 1
1 400 . 5 1 1 A 39 39 GLU H H 39 9.267 9.120 0.147 1
1 401 . 5 1 1 A 39 39 GLU CA C 39 57.435 58.369 -0.934 1
1 402 . 5 1 1 A 39 39 GLU HA H 39 4.521 4.255 0.266 1
1 403 . 5 1 1 A 39 39 GLU CB C 39 31.891 30.248 1.643 1
1 409 . 5 1 1 A 39 39 GLU C C 39 175.300 176.364 -1.064 1
1 410 . 5 1 1 A 40 40 ASN N N 40 115.109 113.862 1.247 1
1 411 . 5 1 1 A 40 40 ASN H H 40 7.757 7.870 -0.113 1
1 412 . 5 1 1 A 40 40 ASN CA C 40 52.151 51.516 0.635 1
1 413 . 5 1 1 A 40 40 ASN HA H 40 5.353 5.446 -0.093 1
1 414 . 5 1 1 A 40 40 ASN CB C 40 43.324 41.795 1.529 1
1 420 . 5 1 1 A 40 40 ASN C C 40 173.918 173.556 0.362 1
1 421 . 5 1 1 A 41 41 CYS N N 41 120.861 120.250 0.611 1
1 422 . 5 1 1 A 41 41 CYS H H 41 9.646 9.167 0.479 1
1 423 . 5 1 1 A 41 41 CYS CA C 41 58.934 57.451 1.483 1
1 424 . 5 1 1 A 41 41 CYS HA H 41 5.167 5.168 -0.001 1
1 425 . 5 1 1 A 41 41 CYS CB C 41 30.293 30.368 -0.075 1
1 428 . 5 1 1 A 41 41 CYS C C 41 171.600 173.339 -1.739 1
1 429 . 5 1 1 A 42 42 VAL N N 42 126.721 123.210 3.511 1
1 430 . 5 1 1 A 42 42 VAL H H 42 9.532 8.936 0.596 1
1 431 . 5 1 1 A 42 42 VAL CA C 42 60.463 59.902 0.561 1
1 432 . 5 1 1 A 42 42 VAL HA H 42 4.454 5.006 -0.552 1
1 433 . 5 1 1 A 42 42 VAL CB C 42 35.496 34.504 0.992 1
1 443 . 5 1 1 A 42 42 VAL C C 42 173.645 174.160 -0.515 1
1 444 . 5 1 1 A 43 43 LEU N N 43 127.183 123.722 3.461 1
1 445 . 5 1 1 A 43 43 LEU H H 43 8.597 8.752 -0.155 1
1 446 . 5 1 1 A 43 43 LEU CA C 43 54.209 53.506 0.703 1
1 447 . 5 1 1 A 43 43 LEU HA H 43 5.050 5.213 -0.163 1
1 448 . 5 1 1 A 43 43 LEU CB C 43 43.450 46.656 -3.206 1
1 461 . 5 1 1 A 43 43 LEU C C 43 176.151 174.703 1.448 1
1 462 . 5 1 1 A 44 44 LYS N N 44 127.086 124.802 2.284 1
1 463 . 5 1 1 A 44 44 LYS H H 44 8.726 9.063 -0.337 1
1 464 . 5 1 1 A 44 44 LYS CA C 44 55.033 54.208 0.825 1
1 465 . 5 1 1 A 44 44 LYS HA H 44 4.552 4.829 -0.277 1
1 466 . 5 1 1 A 44 44 LYS CB C 44 34.147 36.014 -1.867 1
1 478 . 5 1 1 A 44 44 LYS C C 44 175.176 175.804 -0.628 1
1 479 . 5 1 1 A 45 45 ASP N N 45 123.045 121.222 1.823 1
1 480 . 5 1 1 A 45 45 ASP H H 45 8.876 8.571 0.305 1
1 481 . 5 1 1 A 45 45 ASP CA C 45 56.515 55.069 1.446 1
1 482 . 5 1 1 A 45 45 ASP HA H 45 4.321 4.534 -0.213 1
1 483 . 5 1 1 A 45 45 ASP CB C 45 39.782 40.177 -0.395 1
1 486 . 5 1 1 A 45 45 ASP C C 45 175.339 176.204 -0.865 1
1 487 . 5 1 1 A 46 46 LYS N N 46 118.201 117.978 0.223 1
1 488 . 5 1 1 A 46 46 LYS H H 46 8.620 9.046 -0.426 1
1 489 . 5 1 1 A 46 46 LYS CA C 46 56.158 57.161 -1.003 1
1 490 . 5 1 1 A 46 46 LYS HA H 46 4.079 3.752 0.327 1
1 491 . 5 1 1 A 46 46 LYS CB C 46 30.929 30.030 0.899 1
1 503 . 5 1 1 A 46 46 LYS C C 46 174.615 175.073 -0.458 1
1 504 . 5 1 1 A 47 47 ALA N N 47 121.283 117.697 3.586 1
1 505 . 5 1 1 A 47 47 ALA H H 47 7.611 7.130 0.481 1
1 506 . 5 1 1 A 47 47 ALA CA C 47 51.809 51.609 0.200 1
1 507 . 5 1 1 A 47 47 ALA HA H 47 5.105 4.899 0.206 1
1 508 . 5 1 1 A 47 47 ALA CB C 47 22.739 22.938 -0.199 1
1 512 . 5 1 1 A 47 47 ALA C C 47 175.508 175.058 0.450 1
1 513 . 5 1 1 A 48 48 ILE N N 48 114.639 114.632 0.007 1
1 514 . 5 1 1 A 48 48 ILE H H 48 8.819 8.537 0.282 1
1 515 . 5 1 1 A 48 48 ILE CA C 48 59.017 59.363 -0.346 1
1 516 . 5 1 1 A 48 48 ILE HA H 48 5.230 5.145 0.085 1
1 517 . 5 1 1 A 48 48 ILE CB C 48 41.811 42.459 -0.648 1
1 530 . 5 1 1 A 48 48 ILE C C 48 172.954 174.110 -1.156 1
1 531 . 5 1 1 A 49 49 ALA N N 49 126.155 122.780 3.375 1
1 532 . 5 1 1 A 49 49 ALA H H 49 8.652 8.294 0.358 1
1 533 . 5 1 1 A 49 49 ALA CA C 49 50.095 51.045 -0.950 1
1 534 . 5 1 1 A 49 49 ALA HA H 49 4.769 5.125 -0.356 1
1 535 . 5 1 1 A 49 49 ALA CB C 49 22.651 22.581 0.070 1
1 539 . 5 1 1 A 49 49 ALA C C 49 175.812 175.690 0.122 1
1 540 . 5 1 1 A 50 50 GLY N N 50 105.980 106.823 -0.843 1
1 541 . 5 1 1 A 50 50 GLY H H 50 6.754 7.038 -0.284 1
1 542 . 5 1 1 A 50 50 GLY CA C 50 46.134 45.118 1.016 1
1 543 . 5 1 1 A 50 50 GLY HA2 H 50 3.803 3.900 -0.097 1
1 544 . 5 1 1 A 50 50 GLY HA3 H 50 4.077 4.049 0.028 1
1 545 . 5 1 1 A 50 50 GLY C C 50 172.510 172.335 0.175 1
1 546 . 5 1 1 A 51 51 THR N N 51 108.648 111.838 -3.190 1
1 547 . 5 1 1 A 51 51 THR H H 51 8.556 8.794 -0.238 1
1 548 . 5 1 1 A 51 51 THR CA C 51 59.116 60.417 -1.301 1
1 549 . 5 1 1 A 51 51 THR HA H 51 5.588 5.547 0.041 1
1 550 . 5 1 1 A 51 51 THR CB C 51 72.737 70.686 2.051 1
1 556 . 5 1 1 A 51 51 THR C C 51 174.087 173.837 0.250 1
1 557 . 5 1 1 A 52 52 VAL N N 52 122.025 127.161 -5.136 1
1 558 . 5 1 1 A 52 52 VAL H H 52 9.746 9.450 0.296 1
1 559 . 5 1 1 A 52 52 VAL CA C 52 61.371 61.256 0.115 1
1 560 . 5 1 1 A 52 52 VAL HA H 52 4.463 4.731 -0.268 1
1 561 . 5 1 1 A 52 52 VAL CB C 52 36.986 33.850 3.136 1
1 571 . 5 1 1 A 52 52 VAL C C 52 174.687 175.218 -0.531 1
1 572 . 5 1 1 A 53 53 LYS N N 53 125.115 126.584 -1.469 1
1 573 . 5 1 1 A 53 53 LYS H H 53 8.567 9.126 -0.559 1
1 574 . 5 1 1 A 53 53 LYS CA C 53 53.668 55.329 -1.661 1
1 575 . 5 1 1 A 53 53 LYS HA H 53 5.599 5.146 0.453 1
1 576 . 5 1 1 A 53 53 LYS CB C 53 37.855 34.912 2.943 1
1 588 . 5 1 1 A 53 53 LYS C C 53 174.697 176.084 -1.387 1
1 589 . 5 1 1 A 54 54 VAL N N 54 110.661 118.050 -7.389 1
1 590 . 5 1 1 A 54 54 VAL H H 54 8.498 8.870 -0.372 1
1 591 . 5 1 1 A 54 54 VAL CA C 54 57.682 58.952 -1.270 1
1 592 . 5 1 1 A 54 54 VAL HA H 54 4.825 4.545 0.280 1
1 593 . 5 1 1 A 54 54 VAL CB C 54 34.634 35.703 -1.069 1
1 603 . 5 1 1 A 54 54 VAL C C 54 176.105 174.206 1.899 1
1 604 . 5 1 1 A 55 55 GLN N N 55 119.414 121.515 -2.101 1
1 605 . 5 1 1 A 55 55 GLN H H 55 7.924 7.915 0.009 1
1 606 . 5 1 1 A 55 55 GLN CA C 55 56.023 55.418 0.605 1
1 607 . 5 1 1 A 55 55 GLN HA H 55 4.456 4.600 -0.144 1
1 608 . 5 1 1 A 55 55 GLN CB C 55 30.216 30.312 -0.096 1
1 617 . 5 1 1 A 55 55 GLN C C 55 176.800 176.842 -0.042 1
1 618 . 5 1 1 A 56 56 ASN N N 56 125.676 119.008 6.668 1
1 619 . 5 1 1 A 56 56 ASN H H 56 8.837 8.717 0.120 1
1 620 . 5 1 1 A 56 56 ASN CA C 56 53.190 52.567 0.623 1
1 621 . 5 1 1 A 56 56 ASN HA H 56 4.575 5.032 -0.457 1
1 622 . 5 1 1 A 56 56 ASN CB C 56 36.855 37.847 -0.992 1
1 628 . 5 1 1 A 56 56 ASN C C 56 174.747 176.015 -1.268 1
1 629 . 5 1 1 A 57 57 LEU N N 57 124.779 123.576 1.203 1
1 630 . 5 1 1 A 57 57 LEU H H 57 7.284 8.198 -0.914 1
1 631 . 5 1 1 A 57 57 LEU CA C 57 55.224 57.700 -2.476 1
1 632 . 5 1 1 A 57 57 LEU HA H 57 4.326 4.065 0.261 1
1 633 . 5 1 1 A 57 57 LEU CB C 57 43.634 42.193 1.441 1
1 646 . 5 1 1 A 57 57 LEU C C 57 176.186 177.046 -0.860 1
1 647 . 5 1 1 A 58 58 ALA N N 58 119.342 119.557 -0.215 1
1 648 . 5 1 1 A 58 58 ALA H H 58 7.724 7.973 -0.249 1
1 649 . 5 1 1 A 58 58 ALA CA C 58 51.687 50.292 1.395 1
1 650 . 5 1 1 A 58 58 ALA HA H 58 4.343 4.758 -0.415 1
1 651 . 5 1 1 A 58 58 ALA CB C 58 21.122 21.622 -0.500 1
1 655 . 5 1 1 A 58 58 ALA C C 58 175.847 177.778 -1.931 1
1 656 . 5 1 1 A 59 59 PHE N N 59 118.235 119.705 -1.470 1
1 657 . 5 1 1 A 59 59 PHE H H 59 8.231 9.101 -0.870 1
1 658 . 5 1 1 A 59 59 PHE CA C 59 60.105 61.829 -1.724 1
1 659 . 5 1 1 A 59 59 PHE HA H 59 4.428 4.090 0.338 1
1 660 . 5 1 1 A 59 59 PHE CB C 59 40.386 39.666 0.720 1
1 673 . 5 1 1 A 59 59 PHE C C 59 176.670 175.371 1.299 1
1 674 . 5 1 1 A 60 60 GLU N N 60 120.295 117.862 2.433 1
1 675 . 5 1 1 A 60 60 GLU H H 60 8.482 7.995 0.487 1
1 676 . 5 1 1 A 60 60 GLU CA C 60 57.134 55.921 1.213 1
1 677 . 5 1 1 A 60 60 GLU HA H 60 4.306 4.776 -0.470 1
1 678 . 5 1 1 A 60 60 GLU CB C 60 29.569 30.914 -1.345 1
1 684 . 5 1 1 A 60 60 GLU C C 60 175.584 176.283 -0.699 1
1 685 . 5 1 1 A 61 61 LYS N N 61 123.512 120.720 2.792 1
1 686 . 5 1 1 A 61 61 LYS H H 61 8.377 8.461 -0.084 1
1 687 . 5 1 1 A 61 61 LYS CA C 61 55.939 54.889 1.050 1
1 688 . 5 1 1 A 61 61 LYS HA H 61 5.038 5.248 -0.210 1
1 689 . 5 1 1 A 61 61 LYS CB C 61 37.890 36.758 1.132 1
1 701 . 5 1 1 A 61 61 LYS C C 61 175.510 175.591 -0.081 1
1 702 . 5 1 1 A 62 62 THR N N 62 117.107 117.501 -0.394 1
1 703 . 5 1 1 A 62 62 THR H H 62 8.285 8.343 -0.058 1
1 704 . 5 1 1 A 62 62 THR CA C 62 62.340 61.715 0.625 1
1 705 . 5 1 1 A 62 62 THR HA H 62 4.435 4.798 -0.363 1
1 706 . 5 1 1 A 62 62 THR CB C 62 71.605 70.728 0.877 1
1 712 . 5 1 1 A 62 62 THR C C 62 172.156 173.045 -0.889 1
1 713 . 5 1 1 A 63 63 VAL N N 63 128.402 127.582 0.820 1
1 714 . 5 1 1 A 63 63 VAL H H 63 8.719 8.856 -0.137 1
1 715 . 5 1 1 A 63 63 VAL CA C 63 60.707 61.186 -0.479 1
1 716 . 5 1 1 A 63 63 VAL HA H 63 4.755 4.612 0.143 1
1 717 . 5 1 1 A 63 63 VAL CB C 63 35.210 32.288 2.922 1
1 727 . 5 1 1 A 63 63 VAL C C 63 174.313 175.395 -1.082 1
1 728 . 5 1 1 A 64 64 LYS N N 64 123.629 125.758 -2.129 1
1 729 . 5 1 1 A 64 64 LYS H H 64 8.519 8.659 -0.140 1
1 730 . 5 1 1 A 64 64 LYS CA C 64 54.850 54.770 0.080 1
1 731 . 5 1 1 A 64 64 LYS HA H 64 4.997 5.010 -0.013 1
1 732 . 5 1 1 A 64 64 LYS CB C 64 37.343 36.572 0.771 1
1 744 . 5 1 1 A 64 64 LYS C C 64 173.348 175.109 -1.761 1
1 745 . 5 1 1 A 65 65 ILE N N 65 119.250 124.474 -5.224 1
1 746 . 5 1 1 A 65 65 ILE H H 65 8.637 8.905 -0.268 1
1 747 . 5 1 1 A 65 65 ILE CA C 65 57.894 60.237 -2.343 1
1 748 . 5 1 1 A 65 65 ILE HA H 65 4.451 4.705 -0.254 1
1 749 . 5 1 1 A 65 65 ILE CB C 65 37.638 38.584 -0.946 1
1 762 . 5 1 1 A 65 65 ILE C C 65 174.893 174.954 -0.061 1
1 763 . 5 1 1 A 66 66 ARG N N 66 130.193 127.515 2.678 1
1 764 . 5 1 1 A 66 66 ARG H H 66 9.244 8.778 0.466 1
1 765 . 5 1 1 A 66 66 ARG CA C 66 55.930 54.738 1.192 1
1 766 . 5 1 1 A 66 66 ARG HA H 66 5.440 4.803 0.637 1
1 767 . 5 1 1 A 66 66 ARG CB C 66 31.514 31.539 -0.025 1
1 778 . 5 1 1 A 66 66 ARG C C 66 174.161 174.607 -0.446 1
1 779 . 5 1 1 A 67 67 MET N N 67 128.046 125.536 2.510 1
1 780 . 5 1 1 A 67 67 MET H H 67 9.343 9.134 0.209 1
1 781 . 5 1 1 A 67 67 MET CA C 67 54.217 53.759 0.458 1
1 782 . 5 1 1 A 67 67 MET HA H 67 5.318 5.256 0.062 1
1 783 . 5 1 1 A 67 67 MET CB C 67 37.533 36.087 1.446 1
1 793 . 5 1 1 A 67 67 MET C C 67 173.432 173.851 -0.419 1
1 794 . 5 1 1 A 68 68 THR N N 68 118.404 118.169 0.235 1
1 795 . 5 1 1 A 68 68 THR H H 68 8.474 8.242 0.232 1
1 796 . 5 1 1 A 68 68 THR CA C 68 58.903 59.220 -0.317 1
1 797 . 5 1 1 A 68 68 THR HA H 68 3.948 4.970 -1.022 1
1 798 . 5 1 1 A 68 68 THR CB C 68 71.091 71.226 -0.135 1
1 804 . 5 1 1 A 68 68 THR C C 68 170.783 173.500 -2.717 1
1 805 . 5 1 1 A 69 69 PHE N N 69 124.029 123.175 0.854 1
1 806 . 5 1 1 A 69 69 PHE H H 69 8.910 8.723 0.187 1
1 807 . 5 1 1 A 69 69 PHE CA C 69 55.772 57.697 -1.925 1
1 808 . 5 1 1 A 69 69 PHE HA H 69 4.783 4.813 -0.030 1
1 809 . 5 1 1 A 69 69 PHE CB C 69 39.748 40.594 -0.846 1
1 822 . 5 1 1 A 69 69 PHE C C 69 174.951 174.990 -0.039 1
1 823 . 5 1 1 A 70 70 ASP N N 70 121.457 119.256 2.201 1
1 824 . 5 1 1 A 70 70 ASP H H 70 8.841 7.280 1.561 1
1 825 . 5 1 1 A 70 70 ASP CA C 70 52.288 52.837 -0.549 1
1 826 . 5 1 1 A 70 70 ASP HA H 70 4.661 5.306 -0.645 1
1 827 . 5 1 1 A 70 70 ASP CB C 70 40.026 41.803 -1.777 1
1 830 . 5 1 1 A 70 70 ASP C C 70 177.065 175.703 1.362 1
1 831 . 5 1 1 A 71 71 THR N N 71 114.661 115.906 -1.245 1
1 832 . 5 1 1 A 71 71 THR H H 71 8.724 9.050 -0.326 1
1 833 . 5 1 1 A 71 71 THR CA C 71 63.824 63.082 0.742 1
1 834 . 5 1 1 A 71 71 THR HA H 71 3.181 3.907 -0.726 1
1 835 . 5 1 1 A 71 71 THR CB C 71 66.535 66.988 -0.453 1
1 841 . 5 1 1 A 71 71 THR C C 71 173.648 173.984 -0.336 1
1 842 . 5 1 1 A 72 72 TRP N N 72 111.097 113.271 -2.174 1
1 843 . 5 1 1 A 72 72 TRP H H 72 8.854 7.963 0.891 1
1 844 . 5 1 1 A 72 72 TRP CA C 72 58.910 57.946 0.964 1
1 845 . 5 1 1 A 72 72 TRP HA H 72 3.951 4.343 -0.392 1
1 846 . 5 1 1 A 72 72 TRP CB C 72 24.332 26.489 -2.157 1
1 861 . 5 1 1 A 72 72 TRP C C 72 176.875 176.297 0.578 1
1 862 . 5 1 1 A 73 73 LYS N N 73 124.701 117.327 7.374 1
1 863 . 5 1 1 A 73 73 LYS H H 73 7.785 8.282 -0.497 1
1 864 . 5 1 1 A 73 73 LYS CA C 73 60.463 56.327 4.136 1
1 865 . 5 1 1 A 73 73 LYS HA H 73 4.174 4.523 -0.349 1
1 866 . 5 1 1 A 73 73 LYS CB C 73 31.024 35.062 -4.038 1
1 878 . 5 1 1 A 73 73 LYS C C 73 177.622 176.265 1.357 1
1 879 . 5 1 1 A 74 74 SER N N 74 117.041 113.836 3.205 1
1 880 . 5 1 1 A 74 74 SER H H 74 10.002 7.424 2.578 1
1 881 . 5 1 1 A 74 74 SER CA C 74 57.539 57.499 0.040 1
1 882 . 5 1 1 A 74 74 SER HA H 74 4.556 4.787 -0.231 1
1 883 . 5 1 1 A 74 74 SER CB C 74 66.372 65.487 0.885 1
1 886 . 5 1 1 A 74 74 SER C C 74 171.956 172.491 -0.535 1
1 887 . 5 1 1 A 75 75 TYR N N 75 113.320 122.155 -8.835 1
1 888 . 5 1 1 A 75 75 TYR H H 75 7.735 8.304 -0.569 1
1 889 . 5 1 1 A 75 75 TYR CA C 75 57.155 55.589 1.566 1
1 890 . 5 1 1 A 75 75 TYR HA H 75 5.229 5.550 -0.321 1
1 891 . 5 1 1 A 75 75 TYR CB C 75 40.745 41.604 -0.859 1
1 902 . 5 1 1 A 75 75 TYR C C 75 174.262 173.012 1.250 1
1 903 . 5 1 1 A 76 76 THR N N 76 117.158 114.534 2.624 1
1 904 . 5 1 1 A 76 76 THR H H 76 9.212 8.362 0.850 1
1 905 . 5 1 1 A 76 76 THR CA C 76 62.104 61.042 1.062 1
1 906 . 5 1 1 A 76 76 THR HA H 76 4.318 5.000 -0.682 1
1 907 . 5 1 1 A 76 76 THR CB C 76 72.675 72.110 0.565 1
1 913 . 5 1 1 A 76 76 THR C C 76 171.344 172.654 -1.310 1
1 914 . 5 1 1 A 77 77 ASP N N 77 125.875 125.757 0.118 1
1 915 . 5 1 1 A 77 77 ASP H H 77 8.569 8.703 -0.134 1
1 916 . 5 1 1 A 77 77 ASP CA C 77 52.422 53.237 -0.815 1
1 917 . 5 1 1 A 77 77 ASP HA H 77 5.865 4.726 1.139 1
1 918 . 5 1 1 A 77 77 ASP CB C 77 41.512 41.386 0.126 1
1 921 . 5 1 1 A 77 77 ASP C C 77 175.921 175.189 0.732 1
1 922 . 5 1 1 A 78 78 PHE N N 78 125.666 123.257 2.409 1
1 923 . 5 1 1 A 78 78 PHE H H 78 9.992 8.220 1.772 1
1 924 . 5 1 1 A 78 78 PHE CA C 78 55.578 55.635 -0.057 1
1 925 . 5 1 1 A 78 78 PHE HA H 78 4.943 5.023 -0.080 1
1 926 . 5 1 1 A 78 78 PHE CB C 78 40.375 40.279 0.096 1
1 939 . 5 1 1 A 78 78 PHE C C 78 173.610 174.123 -0.513 1
1 940 . 5 1 1 A 79 79 PRO CA C 79 63.363 63.234 0.129 1
1 941 . 5 1 1 A 79 79 PRO HA H 79 4.615 4.622 -0.007 1
1 942 . 5 1 1 A 79 79 PRO CB C 79 32.787 32.509 0.278 1
1 951 . 5 1 1 A 79 79 PRO C C 79 176.681 176.162 0.519 1
1 952 . 5 1 1 A 80 80 CYS N N 80 117.289 120.390 -3.101 1
1 953 . 5 1 1 A 80 80 CYS H H 80 8.308 8.150 0.158 1
1 954 . 5 1 1 A 80 80 CYS CA C 80 57.675 58.501 -0.826 1
1 955 . 5 1 1 A 80 80 CYS HA H 80 5.242 5.119 0.123 1
1 956 . 5 1 1 A 80 80 CYS CB C 80 30.658 30.105 0.553 1
1 959 . 5 1 1 A 80 80 CYS C C 80 174.899 174.644 0.255 1
1 960 . 5 1 1 A 81 81 GLN N N 81 122.188 120.149 2.039 1
1 961 . 5 1 1 A 81 81 GLN H H 81 9.312 8.531 0.781 1
1 962 . 5 1 1 A 81 81 GLN CA C 81 54.620 54.275 0.345 1
1 963 . 5 1 1 A 81 81 GLN HA H 81 4.911 5.110 -0.199 1
1 964 . 5 1 1 A 81 81 GLN CB C 81 31.213 30.697 0.516 1
1 973 . 5 1 1 A 81 81 GLN C C 81 175.035 173.924 1.111 1
1 974 . 5 1 1 A 82 82 TYR N N 82 125.814 123.023 2.791 1
1 975 . 5 1 1 A 82 82 TYR H H 82 8.919 9.011 -0.092 1
1 976 . 5 1 1 A 82 82 TYR CA C 82 58.764 56.631 2.133 1
1 977 . 5 1 1 A 82 82 TYR HA H 82 3.403 5.167 -1.764 1
1 978 . 5 1 1 A 82 82 TYR CB C 82 38.346 40.587 -2.241 1
1 989 . 5 1 1 A 82 82 TYR C C 82 175.413 174.090 1.323 1
1 990 . 5 1 1 A 83 83 VAL N N 83 129.316 127.319 1.997 1
1 991 . 5 1 1 A 83 83 VAL H H 83 7.782 8.393 -0.611 1
1 992 . 5 1 1 A 83 83 VAL CA C 83 61.693 62.549 -0.856 1
1 993 . 5 1 1 A 83 83 VAL HA H 83 3.758 4.116 -0.358 1
1 994 . 5 1 1 A 83 83 VAL CB C 83 32.564 30.628 1.936 1
1 1004 . 5 1 1 A 83 83 VAL C C 83 173.771 174.129 -0.358 1
1 1005 . 5 1 1 A 84 84 LYS N N 84 126.665 128.433 -1.768 1
1 1006 . 5 1 1 A 84 84 LYS H H 84 8.174 8.531 -0.357 1
1 1007 . 5 1 1 A 84 84 LYS CA C 84 56.144 55.090 1.054 1
1 1008 . 5 1 1 A 84 84 LYS HA H 84 4.016 4.449 -0.433 1
1 1009 . 5 1 1 A 84 84 LYS CB C 84 32.170 32.690 -0.520 1
1 1021 . 5 1 1 A 84 84 LYS C C 84 175.610 174.667 0.943 1
1 1022 . 5 1 1 A 85 85 ASP N N 85 124.262 125.341 -1.079 1
1 1023 . 5 1 1 A 85 85 ASP H H 85 7.864 8.227 -0.363 1
1 1024 . 5 1 1 A 85 85 ASP CA C 85 53.349 53.274 0.075 1
1 1025 . 5 1 1 A 85 85 ASP HA H 85 4.678 5.011 -0.333 1
1 1026 . 5 1 1 A 85 85 ASP CB C 85 41.683 43.875 -2.192 1
1 1029 . 5 1 1 A 85 85 ASP C C 85 176.841 175.947 0.894 1
1 1030 . 5 1 1 A 86 86 THR N N 86 113.656 118.545 -4.889 1
1 1031 . 5 1 1 A 86 86 THR H H 86 8.065 8.399 -0.334 1
1 1032 . 5 1 1 A 86 86 THR CA C 86 63.274 64.803 -1.529 1
1 1033 . 5 1 1 A 86 86 THR HA H 86 4.086 3.908 0.178 1
1 1034 . 5 1 1 A 86 86 THR CB C 86 69.257 68.574 0.683 1
1 1040 . 5 1 1 A 86 86 THR C C 86 174.589 175.950 -1.361 1
1 1041 . 5 1 1 A 87 87 TYR N N 87 120.837 117.039 3.798 1
1 1042 . 5 1 1 A 87 87 TYR H H 87 8.064 6.890 1.174 1
1 1043 . 5 1 1 A 87 87 TYR CA C 87 58.054 60.313 -2.259 1
1 1044 . 5 1 1 A 87 87 TYR HA H 87 4.527 4.378 0.149 1
1 1045 . 5 1 1 A 87 87 TYR CB C 87 38.297 39.428 -1.131 1
1 1056 . 5 1 1 A 87 87 TYR C C 87 175.590 176.727 -1.137 1
1 1057 . 5 1 1 A 88 88 ALA N N 88 125.226 120.746 4.480 1
1 1058 . 5 1 1 A 88 88 ALA H H 88 7.963 7.811 0.152 1
1 1059 . 5 1 1 A 88 88 ALA CA C 88 53.104 53.983 -0.879 1
1 1060 . 5 1 1 A 88 88 ALA HA H 88 4.389 4.020 0.369 1
1 1061 . 5 1 1 A 88 88 ALA CB C 88 19.127 18.384 0.743 1
1 1065 . 5 1 1 A 88 88 ALA C C 88 178.497 178.667 -0.170 1
1 1066 . 5 1 1 A 89 89 GLY N N 89 109.029 112.742 -3.713 1
1 1067 . 5 1 1 A 89 89 GLY H H 89 8.479 8.987 -0.508 1
1 1068 . 5 1 1 A 89 89 GLY CA C 89 45.426 47.004 -1.578 1
1 1069 . 5 1 1 A 89 89 GLY HA2 H 89 3.952 3.877 0.075 1
1 1070 . 5 1 1 A 89 89 GLY HA3 H 89 4.079 3.902 0.177 1
1 1071 . 5 1 1 A 89 89 GLY C C 89 174.563 175.620 -1.057 1
1 1072 . 5 1 1 A 90 90 SER N N 90 115.638 120.203 -4.565 1
1 1073 . 5 1 1 A 90 90 SER H H 90 8.232 8.540 -0.308 1
1 1074 . 5 1 1 A 90 90 SER CA C 90 58.443 61.860 -3.417 1
1 1075 . 5 1 1 A 90 90 SER HA H 90 4.574 4.106 0.468 1
1 1076 . 5 1 1 A 90 90 SER CB C 90 63.865 63.052 0.813 1
1 1079 . 5 1 1 A 90 90 SER C C 90 174.212 175.249 -1.037 1
1 1080 . 5 1 1 A 91 91 ASP N N 91 120.185 119.067 1.118 1
1 1081 . 5 1 1 A 91 91 ASP H H 91 8.691 7.851 0.840 1
1 1082 . 5 1 1 A 91 91 ASP CA C 91 55.012 55.034 -0.022 1
1 1083 . 5 1 1 A 91 91 ASP HA H 91 4.684 4.801 -0.117 1
1 1084 . 5 1 1 A 91 91 ASP CB C 91 40.643 42.043 -1.400 1
1 1087 . 5 1 1 A 91 91 ASP C C 91 176.350 176.328 0.022 1
1 1088 . 5 1 1 A 92 92 ARG N N 92 119.690 119.041 0.649 1
1 1089 . 5 1 1 A 92 92 ARG H H 92 8.072 7.950 0.122 1
1 1090 . 5 1 1 A 92 92 ARG CA C 92 54.941 57.107 -2.166 1
1 1091 . 5 1 1 A 92 92 ARG HA H 92 5.022 4.382 0.640 1
1 1092 . 5 1 1 A 92 92 ARG CB C 92 32.816 30.860 1.956 1
1 1101 . 5 1 1 A 92 92 ARG C C 92 174.072 175.978 -1.906 1
1 1102 . 5 1 1 A 93 93 ASP N N 93 119.716 121.528 -1.812 1
1 1103 . 5 1 1 A 93 93 ASP H H 93 8.550 8.522 0.028 1
1 1104 . 5 1 1 A 93 93 ASP CA C 93 53.411 54.596 -1.185 1
1 1105 . 5 1 1 A 93 93 ASP HA H 93 5.108 4.785 0.323 1
1 1106 . 5 1 1 A 93 93 ASP CB C 93 46.005 41.300 4.705 1
1 1109 . 5 1 1 A 93 93 ASP C C 93 174.776 176.258 -1.482 1
1 1110 . 5 1 1 A 94 94 THR N N 94 116.481 116.982 -0.501 1
1 1111 . 5 1 1 A 94 94 THR H H 94 8.932 8.583 0.349 1
1 1112 . 5 1 1 A 94 94 THR CA C 94 62.287 60.995 1.292 1
1 1113 . 5 1 1 A 94 94 THR HA H 94 5.232 5.059 0.173 1
1 1114 . 5 1 1 A 94 94 THR CB C 94 70.008 70.871 -0.863 1
1 1120 . 5 1 1 A 94 94 THR C C 94 171.982 173.725 -1.743 1
1 1121 . 5 1 1 A 95 95 PHE N N 95 124.488 126.152 -1.664 1
1 1122 . 5 1 1 A 95 95 PHE H H 95 9.347 9.030 0.317 1
1 1123 . 5 1 1 A 95 95 PHE CA C 95 55.834 56.049 -0.215 1
1 1124 . 5 1 1 A 95 95 PHE HA H 95 5.321 5.325 -0.004 1
1 1125 . 5 1 1 A 95 95 PHE CB C 95 43.478 41.761 1.717 1
1 1138 . 5 1 1 A 95 95 PHE C C 95 174.780 174.654 0.126 1
1 1139 . 5 1 1 A 96 96 SER N N 96 117.417 119.055 -1.638 1
1 1140 . 5 1 1 A 96 96 SER H H 96 10.108 8.717 1.391 1
1 1141 . 5 1 1 A 96 96 SER CA C 96 56.388 56.482 -0.094 1
1 1142 . 5 1 1 A 96 96 SER HA H 96 5.575 5.374 0.201 1
1 1143 . 5 1 1 A 96 96 SER CB C 96 67.188 65.714 1.474 1
1 1146 . 5 1 1 A 96 96 SER C C 96 173.079 173.160 -0.081 1
1 1147 . 5 1 1 A 97 97 PHE N N 97 114.813 119.018 -4.205 1
1 1148 . 5 1 1 A 97 97 PHE H H 97 7.991 8.586 -0.595 1
1 1149 . 5 1 1 A 97 97 PHE CA C 97 56.003 55.264 0.739 1
1 1150 . 5 1 1 A 97 97 PHE HA H 97 5.249 5.634 -0.385 1
1 1151 . 5 1 1 A 97 97 PHE CB C 97 42.008 42.697 -0.689 1
1 1164 . 5 1 1 A 97 97 PHE C C 97 174.316 173.110 1.206 1
1 1165 . 5 1 1 A 98 98 ASP N N 98 121.809 119.938 1.871 1
1 1166 . 5 1 1 A 98 98 ASP H H 98 8.297 9.153 -0.856 1
1 1167 . 5 1 1 A 98 98 ASP CA C 98 54.789 52.653 2.136 1
1 1168 . 5 1 1 A 98 98 ASP HA H 98 5.006 5.516 -0.510 1
1 1169 . 5 1 1 A 98 98 ASP CB C 98 42.282 42.295 -0.013 1
1 1172 . 5 1 1 A 98 98 ASP C C 98 174.959 174.318 0.641 1
1 1173 . 5 1 1 A 99 99 ILE N N 99 126.714 126.160 0.554 1
1 1174 . 5 1 1 A 99 99 ILE H H 99 9.331 8.547 0.784 1
1 1175 . 5 1 1 A 99 99 ILE CA C 99 60.455 59.971 0.484 1
1 1176 . 5 1 1 A 99 99 ILE HA H 99 4.016 4.519 -0.503 1
1 1177 . 5 1 1 A 99 99 ILE CB C 99 42.110 40.589 1.521 1
1 1190 . 5 1 1 A 99 99 ILE C C 99 175.019 174.765 0.254 1
1 1191 . 5 1 1 A 100 100 SER N N 100 122.590 121.134 1.456 1
1 1192 . 5 1 1 A 100 100 SER H H 100 8.345 8.595 -0.250 1
1 1193 . 5 1 1 A 100 100 SER CA C 100 58.848 56.704 2.144 1
1 1194 . 5 1 1 A 100 100 SER HA H 100 4.527 5.166 -0.639 1
1 1195 . 5 1 1 A 100 100 SER CB C 100 63.482 64.366 -0.884 1
1 1198 . 5 1 1 A 100 100 SER C C 100 173.557 174.011 -0.454 1
1 1199 . 5 1 1 A 101 101 LEU N N 101 124.776 126.568 -1.792 1
1 1200 . 5 1 1 A 101 101 LEU H H 101 8.277 8.289 -0.012 1
1 1201 . 5 1 1 A 101 101 LEU CA C 101 52.430 53.676 -1.246 1
1 1202 . 5 1 1 A 101 101 LEU HA H 101 4.375 4.444 -0.069 1
1 1203 . 5 1 1 A 101 101 LEU CB C 101 40.427 41.205 -0.778 1
1 1216 . 5 1 1 A 101 101 LEU C C 101 174.363 174.753 -0.390 1
1 1217 . 5 1 1 A 102 102 PRO CA C 102 62.488 62.075 0.413 1
1 1218 . 5 1 1 A 102 102 PRO HA H 102 4.259 4.301 -0.042 1
1 1219 . 5 1 1 A 102 102 PRO CB C 102 32.073 32.745 -0.672 1
1 1228 . 5 1 1 A 102 102 PRO C C 102 175.687 177.674 -1.987 1
1 1229 . 5 1 1 A 103 103 GLU N N 103 118.843 120.594 -1.751 1
1 1230 . 5 1 1 A 103 103 GLU H H 103 8.286 8.649 -0.363 1
1 1231 . 5 1 1 A 103 103 GLU CA C 103 58.131 59.130 -0.999 1
1 1232 . 5 1 1 A 103 103 GLU HA H 103 4.013 4.052 -0.039 1
1 1233 . 5 1 1 A 103 103 GLU CB C 103 30.344 29.059 1.285 1
1 1239 . 5 1 1 A 103 103 GLU C C 103 176.869 176.429 0.440 1
1 1240 . 5 1 1 A 104 104 LYS N N 104 116.544 116.378 0.166 1
1 1241 . 5 1 1 A 104 104 LYS H H 104 7.869 7.646 0.223 1
1 1242 . 5 1 1 A 104 104 LYS CA C 104 55.314 55.073 0.241 1
1 1243 . 5 1 1 A 104 104 LYS HA H 104 4.474 4.864 -0.390 1
1 1244 . 5 1 1 A 104 104 LYS CB C 104 33.428 36.294 -2.866 1
1 1256 . 5 1 1 A 104 104 LYS C C 104 175.231 174.154 1.077 1
1 1257 . 5 1 1 A 105 105 ILE N N 105 122.507 120.747 1.760 1
1 1258 . 5 1 1 A 105 105 ILE H H 105 8.236 8.677 -0.441 1
1 1259 . 5 1 1 A 105 105 ILE CA C 105 60.636 59.935 0.701 1
1 1260 . 5 1 1 A 105 105 ILE HA H 105 4.190 5.117 -0.927 1
1 1261 . 5 1 1 A 105 105 ILE CB C 105 39.685 42.385 -2.700 1
1 1274 . 5 1 1 A 105 105 ILE C C 105 176.091 174.677 1.414 1
1 1275 . 5 1 1 A 106 106 GLN N N 106 124.467 125.100 -0.633 1
1 1276 . 5 1 1 A 106 106 GLN H H 106 8.752 8.526 0.226 1
1 1277 . 5 1 1 A 106 106 GLN CA C 106 56.244 54.020 2.224 1
1 1278 . 5 1 1 A 106 106 GLN HA H 106 4.243 4.934 -0.691 1
1 1279 . 5 1 1 A 106 106 GLN CB C 106 28.717 32.453 -3.736 1
1 1288 . 5 1 1 A 106 106 GLN C C 106 177.593 176.083 1.510 1
1 1289 . 5 1 1 A 107 107 SER N N 107 116.963 117.803 -0.840 1
1 1290 . 5 1 1 A 107 107 SER H H 107 8.623 9.082 -0.459 1
1 1291 . 5 1 1 A 107 107 SER CA C 107 60.530 61.334 -0.804 1
1 1292 . 5 1 1 A 107 107 SER HA H 107 4.152 4.341 -0.189 1
1 1293 . 5 1 1 A 107 107 SER CB C 107 63.187 62.995 0.192 1
1 1296 . 5 1 1 A 107 107 SER C C 107 174.222 176.514 -2.292 1
1 1297 . 5 1 1 A 108 108 TYR N N 108 116.323 119.015 -2.692 1
1 1298 . 5 1 1 A 108 108 TYR H H 108 7.330 8.378 -1.048 1
1 1299 . 5 1 1 A 108 108 TYR CA C 108 56.727 60.627 -3.900 1
1 1300 . 5 1 1 A 108 108 TYR HA H 108 4.655 4.394 0.261 1
1 1301 . 5 1 1 A 108 108 TYR CB C 108 37.491 37.440 0.051 1
1 1312 . 5 1 1 A 108 108 TYR C C 108 175.768 175.578 0.190 1
1 1313 . 5 1 1 A 109 109 GLU N N 109 120.523 118.479 2.044 1
1 1314 . 5 1 1 A 109 109 GLU H H 109 7.587 7.559 0.028 1
1 1315 . 5 1 1 A 109 109 GLU CA C 109 55.573 54.544 1.029 1
1 1316 . 5 1 1 A 109 109 GLU HA H 109 4.582 4.490 0.092 1
1 1317 . 5 1 1 A 109 109 GLU CB C 109 31.360 32.155 -0.795 1
1 1323 . 5 1 1 A 109 109 GLU C C 109 176.013 174.340 1.673 1
1 1324 . 5 1 1 A 110 110 ARG N N 110 118.559 124.259 -5.700 1
1 1325 . 5 1 1 A 110 110 ARG H H 110 8.441 8.714 -0.273 1
1 1326 . 5 1 1 A 110 110 ARG CA C 110 55.667 55.471 0.196 1
1 1327 . 5 1 1 A 110 110 ARG HA H 110 4.786 4.780 0.006 1
1 1328 . 5 1 1 A 110 110 ARG CB C 110 32.404 31.545 0.859 1
1 1339 . 5 1 1 A 110 110 ARG C C 110 174.387 174.514 -0.127 1
1 1340 . 5 1 1 A 111 111 MET N N 111 122.471 125.201 -2.730 1
1 1341 . 5 1 1 A 111 111 MET H H 111 8.665 8.966 -0.301 1
1 1342 . 5 1 1 A 111 111 MET CA C 111 54.151 54.076 0.075 1
1 1343 . 5 1 1 A 111 111 MET HA H 111 5.167 5.014 0.153 1
1 1344 . 5 1 1 A 111 111 MET CB C 111 35.735 35.408 0.327 1
1 1354 . 5 1 1 A 111 111 MET C C 111 174.924 174.313 0.611 1
1 1355 . 5 1 1 A 112 112 GLU N N 112 119.500 125.101 -5.601 1
1 1356 . 5 1 1 A 112 112 GLU H H 112 7.951 8.493 -0.542 1
1 1357 . 5 1 1 A 112 112 GLU CA C 112 53.909 54.847 -0.938 1
1 1358 . 5 1 1 A 112 112 GLU HA H 112 5.662 5.167 0.495 1
1 1359 . 5 1 1 A 112 112 GLU CB C 112 35.198 34.575 0.623 1
1 1365 . 5 1 1 A 112 112 GLU C C 112 174.483 175.013 -0.530 1
1 1366 . 5 1 1 A 113 113 PHE N N 113 115.033 118.383 -3.350 1
1 1367 . 5 1 1 A 113 113 PHE H H 113 9.278 8.781 0.497 1
1 1368 . 5 1 1 A 113 113 PHE CA C 113 55.857 55.804 0.053 1
1 1369 . 5 1 1 A 113 113 PHE HA H 113 6.262 5.667 0.595 1
1 1370 . 5 1 1 A 113 113 PHE CB C 113 43.656 42.891 0.765 1
1 1383 . 5 1 1 A 113 113 PHE C C 113 172.253 172.940 -0.687 1
1 1384 . 5 1 1 A 114 114 ALA N N 114 121.461 122.252 -0.791 1
1 1385 . 5 1 1 A 114 114 ALA H H 114 9.475 8.640 0.835 1
1 1386 . 5 1 1 A 114 114 ALA CA C 114 50.860 50.842 0.018 1
1 1387 . 5 1 1 A 114 114 ALA HA H 114 5.026 5.376 -0.350 1
1 1388 . 5 1 1 A 114 114 ALA CB C 114 23.129 22.824 0.305 1
1 1392 . 5 1 1 A 114 114 ALA C C 114 174.903 176.438 -1.535 1
1 1393 . 5 1 1 A 115 115 VAL N N 115 120.899 122.949 -2.050 1
1 1394 . 5 1 1 A 115 115 VAL H H 115 8.928 8.725 0.203 1
1 1395 . 5 1 1 A 115 115 VAL CA C 115 61.379 63.290 -1.911 1
1 1396 . 5 1 1 A 115 115 VAL HA H 115 4.798 4.327 0.471 1
1 1397 . 5 1 1 A 115 115 VAL CB C 115 34.712 32.248 2.464 1
1 1407 . 5 1 1 A 115 115 VAL C C 115 174.444 174.840 -0.396 1
1 1408 . 5 1 1 A 116 116 TYR N N 116 123.426 128.243 -4.817 1
1 1409 . 5 1 1 A 116 116 TYR H H 116 8.963 8.675 0.288 1
1 1410 . 5 1 1 A 116 116 TYR CA C 116 55.480 54.307 1.173 1
1 1411 . 5 1 1 A 116 116 TYR HA H 116 5.081 4.885 0.196 1
1 1412 . 5 1 1 A 116 116 TYR CB C 116 38.928 40.080 -1.152 1
1 1423 . 5 1 1 A 116 116 TYR C C 116 172.208 173.069 -0.861 1
1 1424 . 5 1 1 A 117 117 TYR N N 117 123.249 130.402 -7.153 1
1 1425 . 5 1 1 A 117 117 TYR H H 117 8.858 8.506 0.352 1
1 1426 . 5 1 1 A 117 117 TYR CA C 117 52.371 56.302 -3.931 1
1 1427 . 5 1 1 A 117 117 TYR HA H 117 5.528 4.931 0.597 1
1 1428 . 5 1 1 A 117 117 TYR CB C 117 41.509 40.609 0.900 1
1 1439 . 5 1 1 A 117 117 TYR C C 117 173.159 173.576 -0.417 1
1 1440 . 5 1 1 A 118 118 GLU N N 118 127.681 128.081 -0.400 1
1 1441 . 5 1 1 A 118 118 GLU H H 118 9.368 8.535 0.833 1
1 1442 . 5 1 1 A 118 118 GLU CA C 118 54.179 55.572 -1.393 1
1 1443 . 5 1 1 A 118 118 GLU HA H 118 5.085 4.831 0.254 1
1 1444 . 5 1 1 A 118 118 GLU CB C 118 32.099 31.016 1.083 1
1 1450 . 5 1 1 A 118 118 GLU C C 118 175.565 175.302 0.263 1
1 1451 . 5 1 1 A 119 119 CYS N N 119 122.152 124.088 -1.936 1
1 1452 . 5 1 1 A 119 119 CYS H H 119 8.323 7.753 0.570 1
1 1453 . 5 1 1 A 119 119 CYS CA C 119 58.248 57.747 0.501 1
1 1454 . 5 1 1 A 119 119 CYS HA H 119 4.479 4.628 -0.149 1
1 1455 . 5 1 1 A 119 119 CYS CB C 119 29.065 30.250 -1.185 1
1 1458 . 5 1 1 A 119 119 CYS C C 119 174.586 173.266 1.320 1
1 1459 . 5 1 1 A 120 120 ASN N N 120 126.917 119.302 7.615 1
1 1460 . 5 1 1 A 120 120 ASN H H 120 9.858 9.272 0.586 1
1 1461 . 5 1 1 A 120 120 ASN CA C 120 53.735 54.470 -0.735 1
1 1462 . 5 1 1 A 120 120 ASN HA H 120 4.342 4.426 -0.084 1
1 1463 . 5 1 1 A 120 120 ASN CB C 120 37.873 37.367 0.506 1
1 1469 . 5 1 1 A 120 120 ASN C C 120 174.943 175.410 -0.467 1
1 1470 . 5 1 1 A 121 121 GLY N N 121 104.866 103.701 1.165 1
1 1471 . 5 1 1 A 121 121 GLY H H 121 8.776 8.573 0.203 1
1 1472 . 5 1 1 A 121 121 GLY CA C 121 45.586 46.312 -0.726 1
1 1473 . 5 1 1 A 121 121 GLY HA2 H 121 4.041 3.838 0.203 1
1 1474 . 5 1 1 A 121 121 GLY HA3 H 121 3.553 3.845 -0.292 1
1 1475 . 5 1 1 A 121 121 GLY C C 121 173.804 173.683 0.121 1
1 1476 . 5 1 1 A 122 122 GLN N N 122 119.988 118.362 1.626 1
1 1477 . 5 1 1 A 122 122 GLN H H 122 7.677 7.519 0.158 1
1 1478 . 5 1 1 A 122 122 GLN CA C 122 53.624 53.498 0.126 1
1 1479 . 5 1 1 A 122 122 GLN HA H 122 4.395 4.777 -0.382 1
1 1480 . 5 1 1 A 122 122 GLN CB C 122 31.456 32.362 -0.906 1
1 1489 . 5 1 1 A 122 122 GLN C C 122 174.029 174.360 -0.331 1
1 1490 . 5 1 1 A 123 123 THR N N 123 116.337 115.513 0.824 1
1 1491 . 5 1 1 A 123 123 THR H H 123 7.990 8.148 -0.158 1
1 1492 . 5 1 1 A 123 123 THR CA C 123 61.935 61.001 0.934 1
1 1493 . 5 1 1 A 123 123 THR HA H 123 4.620 4.820 -0.200 1
1 1494 . 5 1 1 A 123 123 THR CB C 123 70.005 71.065 -1.060 1
1 1500 . 5 1 1 A 123 123 THR C C 123 172.596 172.904 -0.308 1
1 1501 . 5 1 1 A 124 124 TYR N N 124 128.915 124.258 4.657 1
1 1502 . 5 1 1 A 124 124 TYR H H 124 9.416 8.617 0.799 1
1 1503 . 5 1 1 A 124 124 TYR CA C 124 56.388 56.238 0.150 1
1 1504 . 5 1 1 A 124 124 TYR HA H 124 4.962 5.387 -0.425 1
1 1505 . 5 1 1 A 124 124 TYR CB C 124 40.688 41.584 -0.896 1
1 1516 . 5 1 1 A 124 124 TYR C C 124 174.284 174.575 -0.291 1
1 1517 . 5 1 1 A 125 125 TRP N N 125 119.850 123.831 -3.981 1
1 1518 . 5 1 1 A 125 125 TRP H H 125 8.738 9.275 -0.537 1
1 1519 . 5 1 1 A 125 125 TRP CA C 125 56.940 55.519 1.421 1
1 1520 . 5 1 1 A 125 125 TRP HA H 125 5.388 5.613 -0.225 1
1 1521 . 5 1 1 A 125 125 TRP CB C 125 33.031 32.016 1.015 1
1 1536 . 5 1 1 A 125 125 TRP C C 125 176.973 174.738 2.235 1
1 1537 . 5 1 1 A 126 126 ASP N N 126 118.759 126.392 -7.633 1
1 1538 . 5 1 1 A 126 126 ASP H H 126 9.436 9.017 0.419 1
1 1539 . 5 1 1 A 126 126 ASP CA C 126 53.968 52.751 1.217 1
1 1540 . 5 1 1 A 126 126 ASP HA H 126 5.213 5.254 -0.041 1
1 1541 . 5 1 1 A 126 126 ASP CB C 126 42.641 41.925 0.716 1
1 1544 . 5 1 1 A 126 126 ASP C C 126 176.043 174.672 1.371 1
1 1545 . 5 1 1 A 127 127 SER N N 127 119.074 119.789 -0.715 1
1 1546 . 5 1 1 A 127 127 SER H H 127 8.520 8.438 0.082 1
1 1547 . 5 1 1 A 127 127 SER CA C 127 55.118 56.322 -1.204 1
1 1548 . 5 1 1 A 127 127 SER HA H 127 4.811 4.979 -0.168 1
1 1549 . 5 1 1 A 127 127 SER CB C 127 63.866 65.044 -1.178 1
1 1552 . 5 1 1 A 127 127 SER C C 127 175.840 173.036 2.804 1
1 1553 . 5 1 1 A 128 128 ASN N N 128 124.865 119.153 5.712 1
1 1554 . 5 1 1 A 128 128 ASN H H 128 9.242 7.974 1.268 1
1 1555 . 5 1 1 A 128 128 ASN CA C 128 53.224 53.942 -0.718 1
1 1556 . 5 1 1 A 128 128 ASN HA H 128 4.071 3.772 0.299 1
1 1557 . 5 1 1 A 128 128 ASN CB C 128 34.281 36.405 -2.124 1
1 1563 . 5 1 1 A 128 128 ASN C C 128 176.607 174.295 2.312 1
1 1564 . 5 1 1 A 129 129 ARG N N 129 114.718 110.701 4.017 1
1 1565 . 5 1 1 A 129 129 ARG H H 129 9.475 8.255 1.220 1
1 1566 . 5 1 1 A 129 129 ARG CA C 129 56.798 57.083 -0.285 1
1 1567 . 5 1 1 A 129 129 ARG HA H 129 3.774 3.833 -0.059 1
1 1568 . 5 1 1 A 129 129 ARG CB C 129 27.145 27.780 -0.635 1
1 1579 . 5 1 1 A 129 129 ARG C C 129 176.132 175.764 0.368 1
1 1580 . 5 1 1 A 130 130 GLY N N 130 106.337 106.346 -0.009 1
1 1581 . 5 1 1 A 130 130 GLY H H 130 7.568 7.867 -0.299 1
1 1582 . 5 1 1 A 130 130 GLY CA C 130 44.896 46.128 -1.232 1
1 1583 . 5 1 1 A 130 130 GLY HA2 H 130 4.103 4.005 0.098 1
1 1584 . 5 1 1 A 130 130 GLY HA3 H 130 3.425 4.017 -0.592 1
1 1585 . 5 1 1 A 130 130 GLY C C 130 174.521 174.077 0.444 1
1 1586 . 5 1 1 A 131 131 LYS N N 131 119.902 123.630 -3.728 1
1 1587 . 5 1 1 A 131 131 LYS H H 131 7.278 8.122 -0.844 1
1 1588 . 5 1 1 A 131 131 LYS CA C 131 57.336 58.204 -0.868 1
1 1589 . 5 1 1 A 131 131 LYS HA H 131 4.132 4.230 -0.098 1
1 1590 . 5 1 1 A 131 131 LYS CB C 131 33.719 32.694 1.025 1
1 1602 . 5 1 1 A 131 131 LYS C C 131 177.813 176.672 1.141 1
1 1603 . 5 1 1 A 132 132 ASN N N 132 107.489 112.000 -4.511 1
1 1604 . 5 1 1 A 132 132 ASN H H 132 8.268 7.786 0.482 1
1 1605 . 5 1 1 A 132 132 ASN CA C 132 54.717 52.194 2.523 1
1 1606 . 5 1 1 A 132 132 ASN HA H 132 3.691 4.826 -1.135 1
1 1607 . 5 1 1 A 132 132 ASN CB C 132 39.462 41.023 -1.561 1
1 1613 . 5 1 1 A 132 132 ASN C C 132 172.611 173.183 -0.572 1
1 1614 . 5 1 1 A 133 133 TYR N N 133 120.541 120.748 -0.207 1
1 1615 . 5 1 1 A 133 133 TYR H H 133 8.696 8.366 0.330 1
1 1616 . 5 1 1 A 133 133 TYR CA C 133 58.334 58.102 0.232 1
1 1617 . 5 1 1 A 133 133 TYR HA H 133 3.879 4.367 -0.488 1
1 1618 . 5 1 1 A 133 133 TYR CB C 133 35.955 37.062 -1.107 1
1 1627 . 5 1 1 A 133 133 TYR C C 133 175.026 175.143 -0.117 1
1 1628 . 5 1 1 A 134 134 ARG N N 134 123.205 126.346 -3.141 1
1 1629 . 5 1 1 A 134 134 ARG H H 134 8.584 8.605 -0.021 1
1 1630 . 5 1 1 A 134 134 ARG CA C 134 56.025 56.157 -0.132 1
1 1631 . 5 1 1 A 134 134 ARG HA H 134 5.043 4.795 0.248 1
1 1632 . 5 1 1 A 134 134 ARG CB C 134 32.734 30.925 1.809 1
1 1643 . 5 1 1 A 134 134 ARG C C 134 174.511 175.328 -0.817 1
1 1644 . 5 1 1 A 135 135 ILE N N 135 124.430 129.255 -4.825 1
1 1645 . 5 1 1 A 135 135 ILE H H 135 8.429 8.743 -0.314 1
1 1646 . 5 1 1 A 135 135 ILE CA C 135 61.078 60.042 1.036 1
1 1647 . 5 1 1 A 135 135 ILE HA H 135 4.797 4.897 -0.100 1
1 1648 . 5 1 1 A 135 135 ILE CB C 135 39.875 39.061 0.814 1
1 1661 . 5 1 1 A 135 135 ILE C C 135 175.279 176.223 -0.944 1
1 1662 . 5 1 1 A 136 136 ILE N N 136 120.496 123.995 -3.499 1
1 1663 . 5 1 1 A 136 136 ILE H H 136 9.000 8.480 0.520 1
1 1664 . 5 1 1 A 136 136 ILE CA C 136 59.359 59.319 0.040 1
1 1665 . 5 1 1 A 136 136 ILE HA H 136 5.028 4.956 0.072 1
1 1666 . 5 1 1 A 136 136 ILE CB C 136 42.170 40.515 1.655 1
1 1679 . 5 1 1 A 136 136 ILE C C 136 175.144 175.754 -0.610 1
1 1680 . 5 1 1 A 137 137 ARG N N 137 122.183 124.126 -1.943 1
1 1681 . 5 1 1 A 137 137 ARG H H 137 8.535 8.310 0.225 1
1 1682 . 5 1 1 A 137 137 ARG CA C 137 56.339 55.495 0.844 1
1 1683 . 5 1 1 A 137 137 ARG HA H 137 4.402 3.526 0.876 1
1 1684 . 5 1 1 A 137 137 ARG CB C 137 30.696 30.932 -0.236 1
1 1695 . 5 1 1 A 137 137 ARG C C 137 176.646 177.212 -0.566 1
1 1696 . 5 1 1 A 138 138 ALA N N 138 126.694 127.668 -0.974 1
1 1697 . 5 1 1 A 138 138 ALA H H 138 8.353 8.528 -0.175 1
1 1698 . 5 1 1 A 138 138 ALA CA C 138 52.808 55.054 -2.246 1
1 1699 . 5 1 1 A 138 138 ALA HA H 138 4.134 3.916 0.218 1
1 1700 . 5 1 1 A 138 138 ALA CB C 138 19.536 17.962 1.574 1
1 1704 . 5 1 1 A 138 138 ALA C C 138 177.637 179.882 -2.245 1
1 1705 . 5 1 1 A 139 139 GLU N N 139 119.890 114.427 5.463 1
1 1706 . 5 1 1 A 139 139 GLU H H 139 8.615 8.439 0.176 1
1 1707 . 5 1 1 A 139 139 GLU CA C 139 56.586 58.822 -2.236 1
1 1708 . 5 1 1 A 139 139 GLU HA H 139 4.268 4.116 0.152 1
1 1709 . 5 1 1 A 139 139 GLU CB C 139 30.137 28.979 1.158 1
1 1715 . 5 1 1 A 139 139 GLU C C 139 176.488 176.545 -0.057 1
1 1716 . 5 1 1 A 140 140 LEU N N 140 123.350 120.220 3.130 1
1 1717 . 5 1 1 A 140 140 LEU H H 140 8.224 7.697 0.527 1
1 1718 . 5 1 1 A 140 140 LEU CA C 140 55.185 53.551 1.634 1
1 1719 . 5 1 1 A 140 140 LEU HA H 140 4.339 4.724 -0.385 1
1 1720 . 5 1 1 A 140 140 LEU CB C 140 42.294 43.549 -1.255 1
1 1733 . 5 1 1 A 140 140 LEU C C 140 177.456 175.951 1.505 1
1 1734 . 5 1 1 A 141 141 LYS N N 141 122.155 123.975 -1.820 1
1 1735 . 5 1 1 A 141 141 LYS H H 141 8.239 8.411 -0.172 1
1 1736 . 5 1 1 A 141 141 LYS CA C 141 56.480 55.959 0.521 1
1 1737 . 5 1 1 A 141 141 LYS HA H 141 4.309 4.658 -0.349 1
1 1738 . 5 1 1 A 141 141 LYS CB C 141 32.976 36.436 -3.460 1
1 1750 . 5 1 1 A 141 141 LYS C C 141 176.734 173.934 2.800 1
1 1751 . 5 1 1 A 142 142 SER N N 142 116.816 120.803 -3.987 1
1 1752 . 5 1 1 A 142 142 SER H H 142 8.369 8.921 -0.552 1
1 1753 . 5 1 1 A 142 142 SER CA C 142 58.425 56.488 1.937 1
1 1754 . 5 1 1 A 142 142 SER HA H 142 4.529 5.046 -0.517 1
1 1755 . 5 1 1 A 142 142 SER CB C 142 63.836 65.228 -1.392 1
1 1758 . 5 1 1 A 142 142 SER C C 142 175.185 173.615 1.570 1
1 1759 . 5 1 1 A 143 143 THR N N 143 115.566 119.511 -3.945 1
1 1760 . 5 1 1 A 143 143 THR H H 143 8.235 8.693 -0.458 1
1 1761 . 5 1 1 A 143 143 THR CA C 143 61.999 63.117 -1.118 1
1 1762 . 5 1 1 A 143 143 THR HA H 143 4.389 4.503 -0.114 1
1 1763 . 5 1 1 A 143 143 THR CB C 143 69.634 69.700 -0.066 1
1 1769 . 5 1 1 A 143 143 THR C C 143 174.937 173.538 1.399 1
1 1770 . 5 1 1 A 144 144 GLN N N 144 122.469 125.557 -3.088 1
1 1771 . 5 1 1 A 144 144 GLN H H 144 8.345 8.503 -0.158 1
1 1772 . 5 1 1 A 144 144 GLN CA C 144 56.480 54.273 2.207 1
1 1773 . 5 1 1 A 144 144 GLN HA H 144 4.307 4.960 -0.653 1
1 1774 . 5 1 1 A 144 144 GLN CB C 144 29.307 32.076 -2.769 1
1 1783 . 5 1 1 A 144 144 GLN C C 144 176.536 175.266 1.270 1
1 1784 . 5 1 1 A 145 145 GLY N N 145 110.021 108.788 1.233 1
1 1785 . 5 1 1 A 145 145 GLY H H 145 8.461 8.543 -0.082 1
1 1786 . 5 1 1 A 145 145 GLY CA C 145 45.355 44.688 0.667 1
1 1787 . 5 1 1 A 145 145 GLY HA2 H 145 3.967 4.174 -0.207 1
1 1788 . 5 1 1 A 145 145 GLY HA3 H 145 3.967 4.177 -0.210 1
1 1789 . 5 1 1 A 145 145 GLY C C 145 174.123 172.936 1.187 1
1 1790 . 5 1 1 A 146 146 MET N N 146 119.836 120.374 -0.538 1
1 1791 . 5 1 1 A 146 146 MET H H 146 8.197 8.720 -0.523 1
1 1792 . 5 1 1 A 146 146 MET CA C 146 55.594 54.221 1.373 1
1 1793 . 5 1 1 A 146 146 MET HA H 146 4.538 5.155 -0.617 1
1 1794 . 5 1 1 A 146 146 MET CB C 146 33.090 35.297 -2.207 1
1 1804 . 5 1 1 A 146 146 MET C C 146 176.454 173.902 2.552 1
1 1805 . 5 1 1 A 147 147 THR N N 147 116.248 117.960 -1.712 1
1 1806 . 5 1 1 A 147 147 THR H H 147 8.239 8.577 -0.338 1
1 1807 . 5 1 1 A 147 147 THR CA C 147 61.959 62.856 -0.897 1
1 1808 . 5 1 1 A 147 147 THR HA H 147 4.318 4.659 -0.341 1
1 1809 . 5 1 1 A 147 147 THR CB C 147 69.875 69.734 0.141 1
1 1815 . 5 1 1 A 147 147 THR C C 147 174.141 173.824 0.317 1
1 1816 . 5 1 1 A 148 148 LYS N N 148 125.399 125.632 -0.233 1
1 1817 . 5 1 1 A 148 148 LYS H H 148 8.387 8.726 -0.339 1
1 1818 . 5 1 1 A 148 148 LYS CA C 148 54.186 53.191 0.995 1
1 1819 . 5 1 1 A 148 148 LYS HA H 148 4.617 4.769 -0.152 1
1 1820 . 5 1 1 A 148 148 LYS CB C 148 32.651 35.442 -2.791 1
1 1832 . 5 1 1 A 148 148 LYS C C 148 174.388 176.026 -1.638 1
1 1833 . 5 1 1 A 149 149 PRO CA C 149 63.178 64.730 -1.552 1
1 1834 . 5 1 1 A 149 149 PRO HA H 149 4.406 4.423 -0.017 1
1 1835 . 5 1 1 A 149 149 PRO CB C 149 32.164 31.901 0.263 1
1 1844 . 5 1 1 A 150 150 HIS CA C 150 56.264 54.690 1.574 1
1 1845 . 5 1 1 A 150 150 HIS HA H 150 4.626 4.757 -0.131 1
1 1846 . 5 1 1 A 150 150 HIS CB C 150 30.574 31.426 -0.852 1
1 1852 . 5 1 1 A 151 151 SER CA C 151 58.018 61.074 -3.056 1
1 1853 . 5 1 1 A 151 151 SER HA H 151 4.475 4.271 0.204 1
1 1854 . 5 1 1 A 151 151 SER CB C 151 64.139 63.305 0.834 1
1 1856 . 5 1 1 A 151 151 SER C C 151 174.253 174.964 -0.711 1
1 1857 . 5 1 1 A 152 152 GLY N N 152 110.964 106.308 4.656 1
1 1858 . 5 1 1 A 152 152 GLY H H 152 8.276 7.679 0.597 1
1 1859 . 5 1 1 A 152 152 GLY CA C 152 44.637 45.111 -0.474 1
1 1860 . 5 1 1 A 152 152 GLY HA2 H 152 4.120 4.165 -0.045 1
1 1861 . 5 1 1 A 152 152 GLY HA3 H 152 4.120 4.199 -0.079 1
1 1862 . 5 1 1 A 152 152 GLY C C 152 171.668 174.619 -2.951 1
1 1863 . 5 1 1 A 153 153 PRO CA C 153 63.147 63.761 -0.614 1
1 1864 . 5 1 1 A 153 153 PRO HA H 153 4.425 4.386 0.039 1
1 1865 . 5 1 1 A 153 153 PRO CB C 153 32.149 31.711 0.438 1
1 1874 . 5 1 1 A 153 153 PRO C C 153 176.656 177.051 -0.395 1
1 1875 . 5 1 1 A 154 154 ASP N N 154 120.420 116.703 3.717 1
1 1876 . 5 1 1 A 154 154 ASP H H 154 8.463 8.711 -0.248 1
1 1877 . 5 1 1 A 154 154 ASP CA C 154 54.429 56.963 -2.534 1
1 1878 . 5 1 1 A 154 154 ASP HA H 154 4.575 4.351 0.224 1
1 1879 . 5 1 1 A 154 154 ASP CB C 154 40.979 40.493 0.486 1
1 1882 . 5 1 1 A 154 154 ASP C C 154 176.163 176.665 -0.502 1
1 1883 . 5 1 1 A 155 155 LEU N N 155 123.563 117.396 6.167 1
1 1884 . 5 1 1 A 155 155 LEU H H 155 8.266 7.522 0.744 1
1 1885 . 5 1 1 A 155 155 LEU CA C 155 55.022 53.723 1.299 1
1 1886 . 5 1 1 A 155 155 LEU HA H 155 4.358 4.453 -0.095 1
1 1887 . 5 1 1 A 155 155 LEU CB C 155 42.157 44.043 -1.886 1
1 1900 . 5 1 1 A 155 155 LEU C C 155 176.990 176.307 0.683 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.655 60.625 -1.970 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.501 4.214 0.287 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.644 63.741 -0.097 1
1 6 . 6 1 1 A 6 6 SER C C 6 175.063 174.366 0.697 1
1 7 . 6 1 1 A 7 7 GLY N N 7 111.113 106.949 4.164 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.473 7.311 1.162 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.373 45.980 -0.607 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 3.967 4.046 -0.079 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 3.967 4.046 -0.079 1
1 12 . 6 1 1 A 7 7 GLY C C 7 173.934 171.779 2.155 1
1 13 . 6 1 1 A 8 8 ALA N N 8 123.788 128.185 -4.397 1
1 14 . 6 1 1 A 8 8 ALA H H 8 8.197 8.585 -0.388 1
1 15 . 6 1 1 A 8 8 ALA CA C 8 52.548 51.122 1.426 1
1 16 . 6 1 1 A 8 8 ALA HA H 8 4.342 4.891 -0.549 1
1 17 . 6 1 1 A 8 8 ALA CB C 8 19.403 20.054 -0.651 1
1 21 . 6 1 1 A 8 8 ALA C C 8 177.902 176.155 1.747 1
1 22 . 6 1 1 A 9 9 GLU N N 9 120.004 124.579 -4.575 1
1 23 . 6 1 1 A 9 9 GLU H H 9 8.524 9.049 -0.525 1
1 24 . 6 1 1 A 9 9 GLU CA C 9 56.763 55.525 1.238 1
1 25 . 6 1 1 A 9 9 GLU HA H 9 4.308 4.943 -0.635 1
1 26 . 6 1 1 A 9 9 GLU CB C 9 30.161 30.656 -0.495 1
1 32 . 6 1 1 A 9 9 GLU C C 9 176.646 175.376 1.270 1
1 33 . 6 1 1 A 10 10 SER N N 10 116.268 119.570 -3.302 1
1 34 . 6 1 1 A 10 10 SER H H 10 8.305 8.534 -0.229 1
1 35 . 6 1 1 A 10 10 SER CA C 10 58.426 57.561 0.865 1
1 36 . 6 1 1 A 10 10 SER HA H 10 4.429 4.987 -0.558 1
1 37 . 6 1 1 A 10 10 SER CB C 10 63.933 67.308 -3.375 1
1 40 . 6 1 1 A 10 10 SER C C 10 174.267 173.055 1.212 1
1 41 . 6 1 1 A 11 11 GLU N N 11 122.435 123.697 -1.262 1
1 42 . 6 1 1 A 11 11 GLU H H 11 8.368 8.401 -0.033 1
1 43 . 6 1 1 A 11 11 GLU CA C 11 56.233 56.026 0.207 1
1 44 . 6 1 1 A 11 11 GLU HA H 11 4.367 4.550 -0.183 1
1 45 . 6 1 1 A 11 11 GLU CB C 11 30.692 30.956 -0.264 1
1 51 . 6 1 1 A 11 11 GLU C C 11 175.800 176.846 -1.046 1
1 52 . 6 1 1 A 12 12 SER N N 12 116.596 117.368 -0.772 1
1 53 . 6 1 1 A 12 12 SER H H 12 8.299 8.695 -0.396 1
1 54 . 6 1 1 A 12 12 SER CA C 12 58.355 58.273 0.082 1
1 55 . 6 1 1 A 12 12 SER HA H 12 4.457 4.819 -0.362 1
1 56 . 6 1 1 A 12 12 SER CB C 12 64.573 64.566 0.007 1
1 59 . 6 1 1 A 12 12 SER C C 12 173.309 173.729 -0.420 1
1 60 . 6 1 1 A 13 13 PHE N N 13 121.293 119.871 1.422 1
1 61 . 6 1 1 A 13 13 PHE H H 13 8.346 9.120 -0.774 1
1 62 . 6 1 1 A 13 13 PHE CA C 13 56.851 56.298 0.553 1
1 63 . 6 1 1 A 13 13 PHE HA H 13 5.384 5.322 0.062 1
1 64 . 6 1 1 A 13 13 PHE CB C 13 42.542 43.326 -0.784 1
1 77 . 6 1 1 A 13 13 PHE C C 13 174.500 174.792 -0.292 1
1 78 . 6 1 1 A 14 14 VAL N N 14 116.020 116.270 -0.250 1
1 79 . 6 1 1 A 14 14 VAL H H 14 9.313 9.216 0.097 1
1 80 . 6 1 1 A 14 14 VAL CA C 14 60.141 59.488 0.653 1
1 81 . 6 1 1 A 14 14 VAL HA H 14 4.455 4.949 -0.494 1
1 82 . 6 1 1 A 14 14 VAL CB C 14 36.318 36.367 -0.049 1
1 92 . 6 1 1 A 14 14 VAL C C 14 174.668 174.557 0.111 1
1 93 . 6 1 1 A 15 15 LEU N N 15 121.725 121.486 0.239 1
1 94 . 6 1 1 A 15 15 LEU H H 15 8.476 8.575 -0.099 1
1 95 . 6 1 1 A 15 15 LEU CA C 15 54.800 52.983 1.817 1
1 96 . 6 1 1 A 15 15 LEU HA H 15 4.403 4.842 -0.439 1
1 97 . 6 1 1 A 15 15 LEU CB C 15 39.816 42.525 -2.709 1
1 110 . 6 1 1 A 15 15 LEU C C 15 177.001 176.398 0.603 1
1 111 . 6 1 1 A 16 16 ASP N N 16 126.576 125.263 1.313 1
1 112 . 6 1 1 A 16 16 ASP H H 16 8.766 8.669 0.097 1
1 113 . 6 1 1 A 16 16 ASP CA C 16 52.828 53.530 -0.702 1
1 114 . 6 1 1 A 16 16 ASP HA H 16 5.081 4.787 0.294 1
1 115 . 6 1 1 A 16 16 ASP CB C 16 42.268 40.875 1.393 1
1 118 . 6 1 1 A 16 16 ASP C C 16 174.640 175.505 -0.865 1
1 119 . 6 1 1 A 17 17 PHE N N 17 112.958 117.492 -4.534 1
1 120 . 6 1 1 A 17 17 PHE H H 17 6.915 7.043 -0.128 1
1 121 . 6 1 1 A 17 17 PHE CA C 17 55.489 55.939 -0.450 1
1 122 . 6 1 1 A 17 17 PHE HA H 17 4.938 5.245 -0.307 1
1 123 . 6 1 1 A 17 17 PHE CB C 17 39.154 41.770 -2.616 1
1 136 . 6 1 1 A 17 17 PHE C C 17 173.746 173.477 0.269 1
1 137 . 6 1 1 A 18 18 SER N N 18 114.977 117.372 -2.395 1
1 138 . 6 1 1 A 18 18 SER H H 18 8.569 8.975 -0.406 1
1 139 . 6 1 1 A 18 18 SER CA C 18 57.046 58.753 -1.707 1
1 140 . 6 1 1 A 18 18 SER HA H 18 4.670 4.707 -0.037 1
1 141 . 6 1 1 A 18 18 SER CB C 18 63.974 63.700 0.274 1
1 144 . 6 1 1 A 18 18 SER C C 18 175.437 174.934 0.503 1
1 145 . 6 1 1 A 19 19 GLN N N 19 123.586 124.082 -0.496 1
1 146 . 6 1 1 A 19 19 GLN H H 19 9.033 8.477 0.556 1
1 147 . 6 1 1 A 19 19 GLN CA C 19 54.023 55.119 -1.096 1
1 148 . 6 1 1 A 19 19 GLN HA H 19 4.558 4.507 0.051 1
1 149 . 6 1 1 A 19 19 GLN CB C 19 27.994 28.488 -0.494 1
1 158 . 6 1 1 A 19 19 GLN C C 19 177.642 176.330 1.312 1
1 159 . 6 1 1 A 20 20 PRO CA C 20 65.836 65.257 0.579 1
1 160 . 6 1 1 A 20 20 PRO HA H 20 4.370 4.514 -0.144 1
1 161 . 6 1 1 A 20 20 PRO CB C 20 32.556 32.238 0.318 1
1 170 . 6 1 1 A 20 20 PRO C C 20 178.374 177.914 0.460 1
1 171 . 6 1 1 A 21 21 SER N N 21 104.386 112.019 -7.633 1
1 172 . 6 1 1 A 21 21 SER H H 21 7.216 7.962 -0.746 1
1 173 . 6 1 1 A 21 21 SER CA C 21 58.886 61.226 -2.340 1
1 174 . 6 1 1 A 21 21 SER HA H 21 3.271 3.829 -0.558 1
1 175 . 6 1 1 A 21 21 SER CB C 21 62.401 62.983 -0.582 1
1 178 . 6 1 1 A 21 21 SER C C 21 174.423 176.778 -2.355 1
1 179 . 6 1 1 A 22 22 ALA N N 22 123.008 122.373 0.635 1
1 180 . 6 1 1 A 22 22 ALA H H 22 7.700 7.900 -0.200 1
1 181 . 6 1 1 A 22 22 ALA CA C 22 53.968 55.461 -1.493 1
1 182 . 6 1 1 A 22 22 ALA HA H 22 4.198 4.086 0.112 1
1 183 . 6 1 1 A 22 22 ALA CB C 22 18.504 18.984 -0.480 1
1 187 . 6 1 1 A 22 22 ALA C C 22 177.624 177.587 0.037 1
1 188 . 6 1 1 A 23 23 ASP N N 23 117.789 117.332 0.457 1
1 189 . 6 1 1 A 23 23 ASP H H 23 7.080 7.969 -0.889 1
1 190 . 6 1 1 A 23 23 ASP CA C 23 52.151 53.146 -0.995 1
1 191 . 6 1 1 A 23 23 ASP HA H 23 4.893 4.936 -0.043 1
1 192 . 6 1 1 A 23 23 ASP CB C 23 40.592 40.918 -0.326 1
1 195 . 6 1 1 A 23 23 ASP C C 23 175.032 175.933 -0.901 1
1 196 . 6 1 1 A 24 24 TYR N N 24 123.295 126.783 -3.488 1
1 197 . 6 1 1 A 24 24 TYR H H 24 8.217 8.968 -0.751 1
1 198 . 6 1 1 A 24 24 TYR CA C 24 61.711 61.824 -0.113 1
1 199 . 6 1 1 A 24 24 TYR HA H 24 4.196 4.045 0.151 1
1 200 . 6 1 1 A 24 24 TYR CB C 24 38.456 39.544 -1.088 1
1 211 . 6 1 1 A 24 24 TYR C C 24 177.434 177.229 0.205 1
1 212 . 6 1 1 A 25 25 LEU N N 25 119.429 121.126 -1.697 1
1 213 . 6 1 1 A 25 25 LEU H H 25 8.074 8.505 -0.431 1
1 214 . 6 1 1 A 25 25 LEU CA C 25 57.691 58.406 -0.715 1
1 215 . 6 1 1 A 25 25 LEU HA H 25 3.967 3.748 0.219 1
1 216 . 6 1 1 A 25 25 LEU CB C 25 41.388 41.730 -0.342 1
1 229 . 6 1 1 A 25 25 LEU C C 25 178.768 178.422 0.346 1
1 230 . 6 1 1 A 26 26 ASP N N 26 119.881 118.531 1.350 1
1 231 . 6 1 1 A 26 26 ASP H H 26 7.561 8.281 -0.720 1
1 232 . 6 1 1 A 26 26 ASP CA C 26 57.625 56.680 0.945 1
1 233 . 6 1 1 A 26 26 ASP HA H 26 4.367 4.315 0.052 1
1 234 . 6 1 1 A 26 26 ASP CB C 26 42.955 41.043 1.912 1
1 237 . 6 1 1 A 26 26 ASP C C 26 177.657 178.483 -0.826 1
1 238 . 6 1 1 A 27 27 PHE N N 27 118.946 120.401 -1.455 1
1 239 . 6 1 1 A 27 27 PHE H H 27 8.750 8.233 0.517 1
1 240 . 6 1 1 A 27 27 PHE CA C 27 61.323 61.096 0.227 1
1 241 . 6 1 1 A 27 27 PHE HA H 27 4.088 4.152 -0.064 1
1 242 . 6 1 1 A 27 27 PHE CB C 27 39.606 39.535 0.071 1
1 255 . 6 1 1 A 27 27 PHE C C 27 176.662 177.183 -0.521 1
1 256 . 6 1 1 A 28 28 ARG N N 28 116.744 118.481 -1.737 1
1 257 . 6 1 1 A 28 28 ARG H H 28 8.079 8.539 -0.460 1
1 258 . 6 1 1 A 28 28 ARG CA C 28 59.051 58.682 0.369 1
1 259 . 6 1 1 A 28 28 ARG HA H 28 3.590 3.885 -0.295 1
1 260 . 6 1 1 A 28 28 ARG CB C 28 29.516 29.635 -0.119 1
1 269 . 6 1 1 A 28 28 ARG C C 28 179.306 178.133 1.173 1
1 270 . 6 1 1 A 29 29 ASN N N 29 119.381 117.656 1.725 1
1 271 . 6 1 1 A 29 29 ASN H H 29 8.106 8.281 -0.175 1
1 272 . 6 1 1 A 29 29 ASN CA C 29 55.861 55.676 0.185 1
1 273 . 6 1 1 A 29 29 ASN HA H 29 4.361 4.338 0.023 1
1 274 . 6 1 1 A 29 29 ASN CB C 29 37.622 38.231 -0.609 1
1 280 . 6 1 1 A 29 29 ASN C C 29 178.555 178.244 0.311 1
1 281 . 6 1 1 A 30 30 ARG N N 30 123.244 120.004 3.240 1
1 282 . 6 1 1 A 30 30 ARG H H 30 8.640 7.880 0.760 1
1 283 . 6 1 1 A 30 30 ARG CA C 30 59.708 58.479 1.229 1
1 284 . 6 1 1 A 30 30 ARG HA H 30 3.912 3.996 -0.084 1
1 285 . 6 1 1 A 30 30 ARG CB C 30 30.910 30.038 0.872 1
1 296 . 6 1 1 A 30 30 ARG C C 30 178.651 178.801 -0.150 1
1 297 . 6 1 1 A 31 31 LEU N N 31 119.911 121.414 -1.503 1
1 298 . 6 1 1 A 31 31 LEU H H 31 7.988 7.403 0.585 1
1 299 . 6 1 1 A 31 31 LEU CA C 31 58.049 56.615 1.434 1
1 300 . 6 1 1 A 31 31 LEU HA H 31 3.409 3.912 -0.503 1
1 301 . 6 1 1 A 31 31 LEU CB C 31 41.342 41.222 0.120 1
1 314 . 6 1 1 A 31 31 LEU C C 31 178.698 177.914 0.784 1
1 315 . 6 1 1 A 32 32 GLN N N 32 114.904 117.923 -3.019 1
1 316 . 6 1 1 A 32 32 GLN H H 32 7.416 7.770 -0.354 1
1 317 . 6 1 1 A 32 32 GLN CA C 32 58.019 57.132 0.887 1
1 318 . 6 1 1 A 32 32 GLN HA H 32 3.891 4.169 -0.278 1
1 319 . 6 1 1 A 32 32 GLN CB C 32 28.679 29.151 -0.472 1
1 328 . 6 1 1 A 32 32 GLN C C 32 176.457 176.828 -0.371 1
1 329 . 6 1 1 A 33 33 ALA N N 33 119.088 120.624 -1.536 1
1 330 . 6 1 1 A 33 33 ALA H H 33 7.791 7.561 0.230 1
1 331 . 6 1 1 A 33 33 ALA CA C 33 54.057 53.106 0.951 1
1 332 . 6 1 1 A 33 33 ALA HA H 33 4.099 4.148 -0.049 1
1 333 . 6 1 1 A 33 33 ALA CB C 33 19.921 19.147 0.774 1
1 337 . 6 1 1 A 33 33 ALA C C 33 178.303 177.591 0.712 1
1 338 . 6 1 1 A 34 34 ASP N N 34 115.377 117.100 -1.723 1
1 339 . 6 1 1 A 34 34 ASP H H 34 8.662 8.006 0.656 1
1 340 . 6 1 1 A 34 34 ASP CA C 34 55.153 53.604 1.549 1
1 341 . 6 1 1 A 34 34 ASP HA H 34 4.698 4.809 -0.111 1
1 342 . 6 1 1 A 34 34 ASP CB C 34 41.976 41.364 0.612 1
1 345 . 6 1 1 A 34 34 ASP C C 34 177.531 175.415 2.116 1
1 346 . 6 1 1 A 35 35 HIS N N 35 108.110 116.096 -7.986 1
1 347 . 6 1 1 A 35 35 HIS H H 35 7.018 7.726 -0.708 1
1 348 . 6 1 1 A 35 35 HIS CA C 35 58.336 56.825 1.511 1
1 349 . 6 1 1 A 35 35 HIS HA H 35 4.543 4.373 0.170 1
1 350 . 6 1 1 A 35 35 HIS CB C 35 26.472 26.556 -0.084 1
1 357 . 6 1 1 A 35 35 HIS C C 35 171.507 173.314 -1.807 1
1 358 . 6 1 1 A 36 36 VAL N N 36 115.529 116.630 -1.101 1
1 359 . 6 1 1 A 36 36 VAL H H 36 7.065 6.914 0.151 1
1 360 . 6 1 1 A 36 36 VAL CA C 36 58.549 60.639 -2.090 1
1 361 . 6 1 1 A 36 36 VAL HA H 36 4.867 4.476 0.391 1
1 362 . 6 1 1 A 36 36 VAL CB C 36 33.135 34.156 -1.021 1
1 372 . 6 1 1 A 36 36 VAL C C 36 171.953 173.685 -1.732 1
1 373 . 6 1 1 A 37 37 CYS N N 37 124.685 124.768 -0.083 1
1 374 . 6 1 1 A 37 37 CYS H H 37 8.694 8.305 0.389 1
1 375 . 6 1 1 A 37 37 CYS CA C 37 59.979 58.386 1.593 1
1 376 . 6 1 1 A 37 37 CYS HA H 37 4.594 5.206 -0.612 1
1 377 . 6 1 1 A 37 37 CYS CB C 37 29.016 31.640 -2.624 1
1 380 . 6 1 1 A 37 37 CYS C C 37 173.445 172.959 0.486 1
1 381 . 6 1 1 A 38 38 LEU N N 38 132.291 127.183 5.108 1
1 382 . 6 1 1 A 38 38 LEU H H 38 9.625 8.452 1.173 1
1 383 . 6 1 1 A 38 38 LEU CA C 38 57.958 55.340 2.618 1
1 384 . 6 1 1 A 38 38 LEU HA H 38 4.167 4.767 -0.600 1
1 385 . 6 1 1 A 38 38 LEU CB C 38 42.189 42.851 -0.662 1
1 398 . 6 1 1 A 38 38 LEU C C 38 173.188 177.092 -3.904 1
1 399 . 6 1 1 A 39 39 GLU N N 39 127.988 128.282 -0.294 1
1 400 . 6 1 1 A 39 39 GLU H H 39 9.267 9.382 -0.115 1
1 401 . 6 1 1 A 39 39 GLU CA C 39 57.435 58.596 -1.161 1
1 402 . 6 1 1 A 39 39 GLU HA H 39 4.521 4.246 0.275 1
1 403 . 6 1 1 A 39 39 GLU CB C 39 31.891 30.180 1.711 1
1 409 . 6 1 1 A 39 39 GLU C C 39 175.300 176.501 -1.201 1
1 410 . 6 1 1 A 40 40 ASN N N 40 115.109 113.269 1.840 1
1 411 . 6 1 1 A 40 40 ASN H H 40 7.757 7.876 -0.119 1
1 412 . 6 1 1 A 40 40 ASN CA C 40 52.151 51.549 0.602 1
1 413 . 6 1 1 A 40 40 ASN HA H 40 5.353 5.382 -0.029 1
1 414 . 6 1 1 A 40 40 ASN CB C 40 43.324 41.919 1.405 1
1 420 . 6 1 1 A 40 40 ASN C C 40 173.918 173.390 0.528 1
1 421 . 6 1 1 A 41 41 CYS N N 41 120.861 119.969 0.892 1
1 422 . 6 1 1 A 41 41 CYS H H 41 9.646 9.155 0.491 1
1 423 . 6 1 1 A 41 41 CYS CA C 41 58.934 57.310 1.624 1
1 424 . 6 1 1 A 41 41 CYS HA H 41 5.167 5.144 0.023 1
1 425 . 6 1 1 A 41 41 CYS CB C 41 30.293 30.304 -0.011 1
1 428 . 6 1 1 A 41 41 CYS C C 41 171.600 173.693 -2.093 1
1 429 . 6 1 1 A 42 42 VAL N N 42 126.721 123.708 3.013 1
1 430 . 6 1 1 A 42 42 VAL H H 42 9.532 8.894 0.638 1
1 431 . 6 1 1 A 42 42 VAL CA C 42 60.463 60.020 0.443 1
1 432 . 6 1 1 A 42 42 VAL HA H 42 4.454 4.998 -0.544 1
1 433 . 6 1 1 A 42 42 VAL CB C 42 35.496 34.208 1.288 1
1 443 . 6 1 1 A 42 42 VAL C C 42 173.645 174.018 -0.373 1
1 444 . 6 1 1 A 43 43 LEU N N 43 127.183 124.708 2.475 1
1 445 . 6 1 1 A 43 43 LEU H H 43 8.597 8.734 -0.137 1
1 446 . 6 1 1 A 43 43 LEU CA C 43 54.209 53.645 0.564 1
1 447 . 6 1 1 A 43 43 LEU HA H 43 5.050 5.011 0.039 1
1 448 . 6 1 1 A 43 43 LEU CB C 43 43.450 45.779 -2.329 1
1 461 . 6 1 1 A 43 43 LEU C C 43 176.151 175.521 0.630 1
1 462 . 6 1 1 A 44 44 LYS N N 44 127.086 126.608 0.478 1
1 463 . 6 1 1 A 44 44 LYS H H 44 8.726 9.241 -0.515 1
1 464 . 6 1 1 A 44 44 LYS CA C 44 55.033 54.997 0.036 1
1 465 . 6 1 1 A 44 44 LYS HA H 44 4.552 4.622 -0.070 1
1 466 . 6 1 1 A 44 44 LYS CB C 44 34.147 34.198 -0.051 1
1 478 . 6 1 1 A 44 44 LYS C C 44 175.176 177.787 -2.611 1
1 479 . 6 1 1 A 45 45 ASP N N 45 123.045 120.634 2.411 1
1 480 . 6 1 1 A 45 45 ASP H H 45 8.876 8.826 0.050 1
1 481 . 6 1 1 A 45 45 ASP CA C 45 56.515 57.744 -1.229 1
1 482 . 6 1 1 A 45 45 ASP HA H 45 4.321 4.397 -0.076 1
1 483 . 6 1 1 A 45 45 ASP CB C 45 39.782 40.897 -1.115 1
1 486 . 6 1 1 A 45 45 ASP C C 45 175.339 177.301 -1.962 1
1 487 . 6 1 1 A 46 46 LYS N N 46 118.201 116.971 1.230 1
1 488 . 6 1 1 A 46 46 LYS H H 46 8.620 8.280 0.340 1
1 489 . 6 1 1 A 46 46 LYS CA C 46 56.158 55.310 0.848 1
1 490 . 6 1 1 A 46 46 LYS HA H 46 4.079 4.481 -0.402 1
1 491 . 6 1 1 A 46 46 LYS CB C 46 30.929 32.971 -2.042 1
1 503 . 6 1 1 A 46 46 LYS C C 46 174.615 175.322 -0.707 1
1 504 . 6 1 1 A 47 47 ALA N N 47 121.283 120.231 1.052 1
1 505 . 6 1 1 A 47 47 ALA H H 47 7.611 7.681 -0.070 1
1 506 . 6 1 1 A 47 47 ALA CA C 47 51.809 51.358 0.451 1
1 507 . 6 1 1 A 47 47 ALA HA H 47 5.105 4.767 0.338 1
1 508 . 6 1 1 A 47 47 ALA CB C 47 22.739 23.569 -0.830 1
1 512 . 6 1 1 A 47 47 ALA C C 47 175.508 175.182 0.326 1
1 513 . 6 1 1 A 48 48 ILE N N 48 114.639 113.460 1.179 1
1 514 . 6 1 1 A 48 48 ILE H H 48 8.819 8.568 0.251 1
1 515 . 6 1 1 A 48 48 ILE CA C 48 59.017 59.237 -0.220 1
1 516 . 6 1 1 A 48 48 ILE HA H 48 5.230 5.121 0.109 1
1 517 . 6 1 1 A 48 48 ILE CB C 48 41.811 42.430 -0.619 1
1 530 . 6 1 1 A 48 48 ILE C C 48 172.954 174.277 -1.323 1
1 531 . 6 1 1 A 49 49 ALA N N 49 126.155 123.113 3.042 1
1 532 . 6 1 1 A 49 49 ALA H H 49 8.652 8.215 0.437 1
1 533 . 6 1 1 A 49 49 ALA CA C 49 50.095 51.240 -1.145 1
1 534 . 6 1 1 A 49 49 ALA HA H 49 4.769 5.091 -0.322 1
1 535 . 6 1 1 A 49 49 ALA CB C 49 22.651 22.234 0.417 1
1 539 . 6 1 1 A 49 49 ALA C C 49 175.812 175.622 0.190 1
1 540 . 6 1 1 A 50 50 GLY N N 50 105.980 107.615 -1.635 1
1 541 . 6 1 1 A 50 50 GLY H H 50 6.754 7.073 -0.319 1
1 542 . 6 1 1 A 50 50 GLY CA C 50 46.134 44.997 1.137 1
1 543 . 6 1 1 A 50 50 GLY HA2 H 50 3.803 3.950 -0.147 1
1 544 . 6 1 1 A 50 50 GLY HA3 H 50 4.077 4.123 -0.046 1
1 545 . 6 1 1 A 50 50 GLY C C 50 172.510 172.385 0.125 1
1 546 . 6 1 1 A 51 51 THR N N 51 108.648 110.940 -2.292 1
1 547 . 6 1 1 A 51 51 THR H H 51 8.556 8.666 -0.110 1
1 548 . 6 1 1 A 51 51 THR CA C 51 59.116 60.231 -1.115 1
1 549 . 6 1 1 A 51 51 THR HA H 51 5.588 5.580 0.008 1
1 550 . 6 1 1 A 51 51 THR CB C 51 72.737 70.977 1.760 1
1 556 . 6 1 1 A 51 51 THR C C 51 174.087 173.785 0.302 1
1 557 . 6 1 1 A 52 52 VAL N N 52 122.025 125.691 -3.666 1
1 558 . 6 1 1 A 52 52 VAL H H 52 9.746 9.558 0.188 1
1 559 . 6 1 1 A 52 52 VAL CA C 52 61.371 60.921 0.450 1
1 560 . 6 1 1 A 52 52 VAL HA H 52 4.463 4.882 -0.419 1
1 561 . 6 1 1 A 52 52 VAL CB C 52 36.986 34.374 2.612 1
1 571 . 6 1 1 A 52 52 VAL C C 52 174.687 174.998 -0.311 1
1 572 . 6 1 1 A 53 53 LYS N N 53 125.115 124.827 0.288 1
1 573 . 6 1 1 A 53 53 LYS H H 53 8.567 8.936 -0.369 1
1 574 . 6 1 1 A 53 53 LYS CA C 53 53.668 54.686 -1.018 1
1 575 . 6 1 1 A 53 53 LYS HA H 53 5.599 4.947 0.652 1
1 576 . 6 1 1 A 53 53 LYS CB C 53 37.855 35.984 1.871 1
1 588 . 6 1 1 A 53 53 LYS C C 53 174.697 175.702 -1.005 1
1 589 . 6 1 1 A 54 54 VAL N N 54 110.661 117.764 -7.103 1
1 590 . 6 1 1 A 54 54 VAL H H 54 8.498 8.821 -0.323 1
1 591 . 6 1 1 A 54 54 VAL CA C 54 57.682 58.691 -1.009 1
1 592 . 6 1 1 A 54 54 VAL HA H 54 4.825 4.522 0.303 1
1 593 . 6 1 1 A 54 54 VAL CB C 54 34.634 35.784 -1.150 1
1 603 . 6 1 1 A 54 54 VAL C C 54 176.105 174.067 2.038 1
1 604 . 6 1 1 A 55 55 GLN N N 55 119.414 120.221 -0.807 1
1 605 . 6 1 1 A 55 55 GLN H H 55 7.924 7.873 0.051 1
1 606 . 6 1 1 A 55 55 GLN CA C 55 56.023 54.280 1.743 1
1 607 . 6 1 1 A 55 55 GLN HA H 55 4.456 4.787 -0.331 1
1 608 . 6 1 1 A 55 55 GLN CB C 55 30.216 30.830 -0.614 1
1 617 . 6 1 1 A 55 55 GLN C C 55 176.800 175.327 1.473 1
1 618 . 6 1 1 A 56 56 ASN N N 56 125.676 122.697 2.979 1
1 619 . 6 1 1 A 56 56 ASN H H 56 8.837 9.053 -0.216 1
1 620 . 6 1 1 A 56 56 ASN CA C 56 53.190 52.805 0.385 1
1 621 . 6 1 1 A 56 56 ASN HA H 56 4.575 4.839 -0.264 1
1 622 . 6 1 1 A 56 56 ASN CB C 56 36.855 37.275 -0.420 1
1 628 . 6 1 1 A 56 56 ASN C C 56 174.747 174.948 -0.201 1
1 629 . 6 1 1 A 57 57 LEU N N 57 124.779 125.928 -1.149 1
1 630 . 6 1 1 A 57 57 LEU H H 57 7.284 8.863 -1.579 1
1 631 . 6 1 1 A 57 57 LEU CA C 57 55.224 55.977 -0.753 1
1 632 . 6 1 1 A 57 57 LEU HA H 57 4.326 4.438 -0.112 1
1 633 . 6 1 1 A 57 57 LEU CB C 57 43.634 42.969 0.665 1
1 646 . 6 1 1 A 57 57 LEU C C 57 176.186 176.789 -0.603 1
1 647 . 6 1 1 A 58 58 ALA N N 58 119.342 119.949 -0.607 1
1 648 . 6 1 1 A 58 58 ALA H H 58 7.724 7.909 -0.185 1
1 649 . 6 1 1 A 58 58 ALA CA C 58 51.687 50.301 1.386 1
1 650 . 6 1 1 A 58 58 ALA HA H 58 4.343 4.780 -0.437 1
1 651 . 6 1 1 A 58 58 ALA CB C 58 21.122 21.470 -0.348 1
1 655 . 6 1 1 A 58 58 ALA C C 58 175.847 178.063 -2.216 1
1 656 . 6 1 1 A 59 59 PHE N N 59 118.235 121.165 -2.930 1
1 657 . 6 1 1 A 59 59 PHE H H 59 8.231 9.015 -0.784 1
1 658 . 6 1 1 A 59 59 PHE CA C 59 60.105 62.372 -2.267 1
1 659 . 6 1 1 A 59 59 PHE HA H 59 4.428 4.111 0.317 1
1 660 . 6 1 1 A 59 59 PHE CB C 59 40.386 39.816 0.570 1
1 673 . 6 1 1 A 59 59 PHE C C 59 176.670 174.925 1.745 1
1 674 . 6 1 1 A 60 60 GLU N N 60 120.295 117.208 3.087 1
1 675 . 6 1 1 A 60 60 GLU H H 60 8.482 7.870 0.612 1
1 676 . 6 1 1 A 60 60 GLU CA C 60 57.134 55.185 1.949 1
1 677 . 6 1 1 A 60 60 GLU HA H 60 4.306 5.050 -0.744 1
1 678 . 6 1 1 A 60 60 GLU CB C 60 29.569 31.959 -2.390 1
1 684 . 6 1 1 A 60 60 GLU C C 60 175.584 175.924 -0.340 1
1 685 . 6 1 1 A 61 61 LYS N N 61 123.512 120.596 2.916 1
1 686 . 6 1 1 A 61 61 LYS H H 61 8.377 8.591 -0.214 1
1 687 . 6 1 1 A 61 61 LYS CA C 61 55.939 54.836 1.103 1
1 688 . 6 1 1 A 61 61 LYS HA H 61 5.038 5.225 -0.187 1
1 689 . 6 1 1 A 61 61 LYS CB C 61 37.890 37.093 0.797 1
1 701 . 6 1 1 A 61 61 LYS C C 61 175.510 175.433 0.077 1
1 702 . 6 1 1 A 62 62 THR N N 62 117.107 117.405 -0.298 1
1 703 . 6 1 1 A 62 62 THR H H 62 8.285 8.421 -0.136 1
1 704 . 6 1 1 A 62 62 THR CA C 62 62.340 61.602 0.738 1
1 705 . 6 1 1 A 62 62 THR HA H 62 4.435 4.770 -0.335 1
1 706 . 6 1 1 A 62 62 THR CB C 62 71.605 70.542 1.063 1
1 712 . 6 1 1 A 62 62 THR C C 62 172.156 173.060 -0.904 1
1 713 . 6 1 1 A 63 63 VAL N N 63 128.402 127.749 0.653 1
1 714 . 6 1 1 A 63 63 VAL H H 63 8.719 8.799 -0.080 1
1 715 . 6 1 1 A 63 63 VAL CA C 63 60.707 61.125 -0.418 1
1 716 . 6 1 1 A 63 63 VAL HA H 63 4.755 4.519 0.236 1
1 717 . 6 1 1 A 63 63 VAL CB C 63 35.210 32.358 2.852 1
1 727 . 6 1 1 A 63 63 VAL C C 63 174.313 175.575 -1.262 1
1 728 . 6 1 1 A 64 64 LYS N N 64 123.629 126.035 -2.406 1
1 729 . 6 1 1 A 64 64 LYS H H 64 8.519 8.423 0.096 1
1 730 . 6 1 1 A 64 64 LYS CA C 64 54.850 54.974 -0.124 1
1 731 . 6 1 1 A 64 64 LYS HA H 64 4.997 5.079 -0.082 1
1 732 . 6 1 1 A 64 64 LYS CB C 64 37.343 36.020 1.323 1
1 744 . 6 1 1 A 64 64 LYS C C 64 173.348 175.511 -2.163 1
1 745 . 6 1 1 A 65 65 ILE N N 65 119.250 124.419 -5.169 1
1 746 . 6 1 1 A 65 65 ILE H H 65 8.637 8.250 0.387 1
1 747 . 6 1 1 A 65 65 ILE CA C 65 57.894 60.980 -3.086 1
1 748 . 6 1 1 A 65 65 ILE HA H 65 4.451 4.367 0.084 1
1 749 . 6 1 1 A 65 65 ILE CB C 65 37.638 37.439 0.199 1
1 762 . 6 1 1 A 65 65 ILE C C 65 174.893 175.245 -0.352 1
1 763 . 6 1 1 A 66 66 ARG N N 66 130.193 127.722 2.471 1
1 764 . 6 1 1 A 66 66 ARG H H 66 9.244 8.610 0.634 1
1 765 . 6 1 1 A 66 66 ARG CA C 66 55.930 54.823 1.107 1
1 766 . 6 1 1 A 66 66 ARG HA H 66 5.440 5.187 0.253 1
1 767 . 6 1 1 A 66 66 ARG CB C 66 31.514 32.727 -1.213 1
1 778 . 6 1 1 A 66 66 ARG C C 66 174.161 174.557 -0.396 1
1 779 . 6 1 1 A 67 67 MET N N 67 128.046 127.708 0.338 1
1 780 . 6 1 1 A 67 67 MET H H 67 9.343 9.394 -0.051 1
1 781 . 6 1 1 A 67 67 MET CA C 67 54.217 53.857 0.360 1
1 782 . 6 1 1 A 67 67 MET HA H 67 5.318 5.376 -0.058 1
1 783 . 6 1 1 A 67 67 MET CB C 67 37.533 35.766 1.767 1
1 793 . 6 1 1 A 67 67 MET C C 67 173.432 174.300 -0.868 1
1 794 . 6 1 1 A 68 68 THR N N 68 118.404 118.706 -0.302 1
1 795 . 6 1 1 A 68 68 THR H H 68 8.474 8.629 -0.155 1
1 796 . 6 1 1 A 68 68 THR CA C 68 58.903 59.352 -0.449 1
1 797 . 6 1 1 A 68 68 THR HA H 68 3.948 5.204 -1.256 1
1 798 . 6 1 1 A 68 68 THR CB C 68 71.091 71.592 -0.501 1
1 804 . 6 1 1 A 68 68 THR C C 68 170.783 173.346 -2.563 1
1 805 . 6 1 1 A 69 69 PHE N N 69 124.029 123.687 0.342 1
1 806 . 6 1 1 A 69 69 PHE H H 69 8.910 9.279 -0.369 1
1 807 . 6 1 1 A 69 69 PHE CA C 69 55.772 57.376 -1.604 1
1 808 . 6 1 1 A 69 69 PHE HA H 69 4.783 4.699 0.084 1
1 809 . 6 1 1 A 69 69 PHE CB C 69 39.748 39.739 0.009 1
1 822 . 6 1 1 A 69 69 PHE C C 69 174.951 175.120 -0.169 1
1 823 . 6 1 1 A 70 70 ASP N N 70 121.457 119.387 2.070 1
1 824 . 6 1 1 A 70 70 ASP H H 70 8.841 7.258 1.583 1
1 825 . 6 1 1 A 70 70 ASP CA C 70 52.288 52.660 -0.372 1
1 826 . 6 1 1 A 70 70 ASP HA H 70 4.661 5.002 -0.341 1
1 827 . 6 1 1 A 70 70 ASP CB C 70 40.026 41.755 -1.729 1
1 830 . 6 1 1 A 70 70 ASP C C 70 177.065 175.752 1.313 1
1 831 . 6 1 1 A 71 71 THR N N 71 114.661 116.497 -1.836 1
1 832 . 6 1 1 A 71 71 THR H H 71 8.724 8.664 0.060 1
1 833 . 6 1 1 A 71 71 THR CA C 71 63.824 63.108 0.716 1
1 834 . 6 1 1 A 71 71 THR HA H 71 3.181 3.998 -0.817 1
1 835 . 6 1 1 A 71 71 THR CB C 71 66.535 67.044 -0.509 1
1 841 . 6 1 1 A 71 71 THR C C 71 173.648 174.002 -0.354 1
1 842 . 6 1 1 A 72 72 TRP N N 72 111.097 113.242 -2.145 1
1 843 . 6 1 1 A 72 72 TRP H H 72 8.854 8.014 0.840 1
1 844 . 6 1 1 A 72 72 TRP CA C 72 58.910 57.964 0.946 1
1 845 . 6 1 1 A 72 72 TRP HA H 72 3.951 4.271 -0.320 1
1 846 . 6 1 1 A 72 72 TRP CB C 72 24.332 26.399 -2.067 1
1 861 . 6 1 1 A 72 72 TRP C C 72 176.875 176.204 0.671 1
1 862 . 6 1 1 A 73 73 LYS N N 73 124.701 117.593 7.108 1
1 863 . 6 1 1 A 73 73 LYS H H 73 7.785 8.412 -0.627 1
1 864 . 6 1 1 A 73 73 LYS CA C 73 60.463 56.805 3.658 1
1 865 . 6 1 1 A 73 73 LYS HA H 73 4.174 4.520 -0.346 1
1 866 . 6 1 1 A 73 73 LYS CB C 73 31.024 35.194 -4.170 1
1 878 . 6 1 1 A 73 73 LYS C C 73 177.622 176.596 1.026 1
1 879 . 6 1 1 A 74 74 SER N N 74 117.041 112.608 4.433 1
1 880 . 6 1 1 A 74 74 SER H H 74 10.002 7.968 2.034 1
1 881 . 6 1 1 A 74 74 SER CA C 74 57.539 56.763 0.776 1
1 882 . 6 1 1 A 74 74 SER HA H 74 4.556 4.713 -0.157 1
1 883 . 6 1 1 A 74 74 SER CB C 74 66.372 63.878 2.494 1
1 886 . 6 1 1 A 74 74 SER C C 74 171.956 172.256 -0.300 1
1 887 . 6 1 1 A 75 75 TYR N N 75 113.320 125.245 -11.925 1
1 888 . 6 1 1 A 75 75 TYR H H 75 7.735 8.459 -0.724 1
1 889 . 6 1 1 A 75 75 TYR CA C 75 57.155 55.318 1.837 1
1 890 . 6 1 1 A 75 75 TYR HA H 75 5.229 5.765 -0.536 1
1 891 . 6 1 1 A 75 75 TYR CB C 75 40.745 42.181 -1.436 1
1 902 . 6 1 1 A 75 75 TYR C C 75 174.262 174.584 -0.322 1
1 903 . 6 1 1 A 76 76 THR N N 76 117.158 114.912 2.246 1
1 904 . 6 1 1 A 76 76 THR H H 76 9.212 8.332 0.880 1
1 905 . 6 1 1 A 76 76 THR CA C 76 62.104 60.633 1.471 1
1 906 . 6 1 1 A 76 76 THR HA H 76 4.318 5.089 -0.771 1
1 907 . 6 1 1 A 76 76 THR CB C 76 72.675 72.092 0.583 1
1 913 . 6 1 1 A 76 76 THR C C 76 171.344 172.071 -0.727 1
1 914 . 6 1 1 A 77 77 ASP N N 77 125.875 124.740 1.135 1
1 915 . 6 1 1 A 77 77 ASP H H 77 8.569 8.627 -0.058 1
1 916 . 6 1 1 A 77 77 ASP CA C 77 52.422 52.265 0.157 1
1 917 . 6 1 1 A 77 77 ASP HA H 77 5.865 4.862 1.003 1
1 918 . 6 1 1 A 77 77 ASP CB C 77 41.512 41.768 -0.256 1
1 921 . 6 1 1 A 77 77 ASP C C 77 175.921 174.717 1.204 1
1 922 . 6 1 1 A 78 78 PHE N N 78 125.666 126.133 -0.467 1
1 923 . 6 1 1 A 78 78 PHE H H 78 9.992 8.555 1.437 1
1 924 . 6 1 1 A 78 78 PHE CA C 78 55.578 55.745 -0.167 1
1 925 . 6 1 1 A 78 78 PHE HA H 78 4.943 4.987 -0.044 1
1 926 . 6 1 1 A 78 78 PHE CB C 78 40.375 40.501 -0.126 1
1 939 . 6 1 1 A 78 78 PHE C C 78 173.610 173.823 -0.213 1
1 940 . 6 1 1 A 79 79 PRO CA C 79 63.363 63.167 0.196 1
1 941 . 6 1 1 A 79 79 PRO HA H 79 4.615 4.598 0.017 1
1 942 . 6 1 1 A 79 79 PRO CB C 79 32.787 32.535 0.252 1
1 951 . 6 1 1 A 79 79 PRO C C 79 176.681 176.553 0.128 1
1 952 . 6 1 1 A 80 80 CYS N N 80 117.289 120.871 -3.582 1
1 953 . 6 1 1 A 80 80 CYS H H 80 8.308 8.046 0.262 1
1 954 . 6 1 1 A 80 80 CYS CA C 80 57.675 59.110 -1.435 1
1 955 . 6 1 1 A 80 80 CYS HA H 80 5.242 5.243 -0.001 1
1 956 . 6 1 1 A 80 80 CYS CB C 80 30.658 28.858 1.800 1
1 959 . 6 1 1 A 80 80 CYS C C 80 174.899 175.055 -0.156 1
1 960 . 6 1 1 A 81 81 GLN N N 81 122.188 123.327 -1.139 1
1 961 . 6 1 1 A 81 81 GLN H H 81 9.312 8.768 0.544 1
1 962 . 6 1 1 A 81 81 GLN CA C 81 54.620 55.720 -1.100 1
1 963 . 6 1 1 A 81 81 GLN HA H 81 4.911 4.801 0.110 1
1 964 . 6 1 1 A 81 81 GLN CB C 81 31.213 30.549 0.664 1
1 973 . 6 1 1 A 81 81 GLN C C 81 175.035 174.772 0.263 1
1 974 . 6 1 1 A 82 82 TYR N N 82 125.814 123.324 2.490 1
1 975 . 6 1 1 A 82 82 TYR H H 82 8.919 9.005 -0.086 1
1 976 . 6 1 1 A 82 82 TYR CA C 82 58.764 56.178 2.586 1
1 977 . 6 1 1 A 82 82 TYR HA H 82 3.403 5.476 -2.073 1
1 978 . 6 1 1 A 82 82 TYR CB C 82 38.346 41.882 -3.536 1
1 989 . 6 1 1 A 82 82 TYR C C 82 175.413 174.024 1.389 1
1 990 . 6 1 1 A 83 83 VAL N N 83 129.316 127.006 2.310 1
1 991 . 6 1 1 A 83 83 VAL H H 83 7.782 9.257 -1.475 1
1 992 . 6 1 1 A 83 83 VAL CA C 83 61.693 61.453 0.240 1
1 993 . 6 1 1 A 83 83 VAL HA H 83 3.758 4.763 -1.005 1
1 994 . 6 1 1 A 83 83 VAL CB C 83 32.564 32.749 -0.185 1
1 1004 . 6 1 1 A 83 83 VAL C C 83 173.771 174.580 -0.809 1
1 1005 . 6 1 1 A 84 84 LYS N N 84 126.665 129.069 -2.404 1
1 1006 . 6 1 1 A 84 84 LYS H H 84 8.174 9.143 -0.969 1
1 1007 . 6 1 1 A 84 84 LYS CA C 84 56.144 55.915 0.229 1
1 1008 . 6 1 1 A 84 84 LYS HA H 84 4.016 4.919 -0.903 1
1 1009 . 6 1 1 A 84 84 LYS CB C 84 32.170 33.254 -1.084 1
1 1021 . 6 1 1 A 84 84 LYS C C 84 175.610 174.735 0.875 1
1 1022 . 6 1 1 A 85 85 ASP N N 85 124.262 126.878 -2.616 1
1 1023 . 6 1 1 A 85 85 ASP H H 85 7.864 8.200 -0.336 1
1 1024 . 6 1 1 A 85 85 ASP CA C 85 53.349 53.019 0.330 1
1 1025 . 6 1 1 A 85 85 ASP HA H 85 4.678 5.022 -0.344 1
1 1026 . 6 1 1 A 85 85 ASP CB C 85 41.683 42.861 -1.178 1
1 1029 . 6 1 1 A 85 85 ASP C C 85 176.841 176.908 -0.067 1
1 1030 . 6 1 1 A 86 86 THR N N 86 113.656 119.941 -6.285 1
1 1031 . 6 1 1 A 86 86 THR H H 86 8.065 8.771 -0.706 1
1 1032 . 6 1 1 A 86 86 THR CA C 86 63.274 66.152 -2.878 1
1 1033 . 6 1 1 A 86 86 THR HA H 86 4.086 3.782 0.304 1
1 1034 . 6 1 1 A 86 86 THR CB C 86 69.257 68.503 0.754 1
1 1040 . 6 1 1 A 86 86 THR C C 86 174.589 175.718 -1.129 1
1 1041 . 6 1 1 A 87 87 TYR N N 87 120.837 117.917 2.920 1
1 1042 . 6 1 1 A 87 87 TYR H H 87 8.064 7.125 0.939 1
1 1043 . 6 1 1 A 87 87 TYR CA C 87 58.054 60.229 -2.175 1
1 1044 . 6 1 1 A 87 87 TYR HA H 87 4.527 4.389 0.138 1
1 1045 . 6 1 1 A 87 87 TYR CB C 87 38.297 39.639 -1.342 1
1 1056 . 6 1 1 A 87 87 TYR C C 87 175.590 176.378 -0.788 1
1 1057 . 6 1 1 A 88 88 ALA N N 88 125.226 121.072 4.154 1
1 1058 . 6 1 1 A 88 88 ALA H H 88 7.963 7.864 0.099 1
1 1059 . 6 1 1 A 88 88 ALA CA C 88 53.104 52.795 0.309 1
1 1060 . 6 1 1 A 88 88 ALA HA H 88 4.389 4.280 0.109 1
1 1061 . 6 1 1 A 88 88 ALA CB C 88 19.127 19.651 -0.524 1
1 1065 . 6 1 1 A 88 88 ALA C C 88 178.497 178.037 0.460 1
1 1066 . 6 1 1 A 89 89 GLY N N 89 109.029 111.252 -2.223 1
1 1067 . 6 1 1 A 89 89 GLY H H 89 8.479 8.720 -0.241 1
1 1068 . 6 1 1 A 89 89 GLY CA C 89 45.426 45.397 0.029 1
1 1069 . 6 1 1 A 89 89 GLY HA2 H 89 3.952 4.052 -0.100 1
1 1070 . 6 1 1 A 89 89 GLY HA3 H 89 4.079 4.061 0.018 1
1 1071 . 6 1 1 A 89 89 GLY C C 89 174.563 174.789 -0.226 1
1 1072 . 6 1 1 A 90 90 SER N N 90 115.638 117.958 -2.320 1
1 1073 . 6 1 1 A 90 90 SER H H 90 8.232 8.137 0.095 1
1 1074 . 6 1 1 A 90 90 SER CA C 90 58.443 59.908 -1.465 1
1 1075 . 6 1 1 A 90 90 SER HA H 90 4.574 4.441 0.133 1
1 1076 . 6 1 1 A 90 90 SER CB C 90 63.865 62.818 1.047 1
1 1079 . 6 1 1 A 90 90 SER C C 90 174.212 174.598 -0.386 1
1 1080 . 6 1 1 A 91 91 ASP N N 91 120.185 124.243 -4.058 1
1 1081 . 6 1 1 A 91 91 ASP H H 91 8.691 9.013 -0.322 1
1 1082 . 6 1 1 A 91 91 ASP CA C 91 55.012 55.492 -0.480 1
1 1083 . 6 1 1 A 91 91 ASP HA H 91 4.684 4.161 0.523 1
1 1084 . 6 1 1 A 91 91 ASP CB C 91 40.643 40.039 0.604 1
1 1087 . 6 1 1 A 91 91 ASP C C 91 176.350 174.796 1.554 1
1 1088 . 6 1 1 A 92 92 ARG N N 92 119.690 114.071 5.619 1
1 1089 . 6 1 1 A 92 92 ARG H H 92 8.072 7.208 0.864 1
1 1090 . 6 1 1 A 92 92 ARG CA C 92 54.941 54.261 0.680 1
1 1091 . 6 1 1 A 92 92 ARG HA H 92 5.022 4.923 0.099 1
1 1092 . 6 1 1 A 92 92 ARG CB C 92 32.816 33.566 -0.750 1
1 1101 . 6 1 1 A 92 92 ARG C C 92 174.072 173.503 0.569 1
1 1102 . 6 1 1 A 93 93 ASP N N 93 119.716 118.471 1.245 1
1 1103 . 6 1 1 A 93 93 ASP H H 93 8.550 8.659 -0.109 1
1 1104 . 6 1 1 A 93 93 ASP CA C 93 53.411 52.732 0.679 1
1 1105 . 6 1 1 A 93 93 ASP HA H 93 5.108 5.175 -0.067 1
1 1106 . 6 1 1 A 93 93 ASP CB C 93 46.005 44.527 1.478 1
1 1109 . 6 1 1 A 93 93 ASP C C 93 174.776 174.450 0.326 1
1 1110 . 6 1 1 A 94 94 THR N N 94 116.481 118.603 -2.122 1
1 1111 . 6 1 1 A 94 94 THR H H 94 8.932 8.138 0.794 1
1 1112 . 6 1 1 A 94 94 THR CA C 94 62.287 61.697 0.590 1
1 1113 . 6 1 1 A 94 94 THR HA H 94 5.232 4.548 0.684 1
1 1114 . 6 1 1 A 94 94 THR CB C 94 70.008 69.483 0.525 1
1 1120 . 6 1 1 A 94 94 THR C C 94 171.982 172.939 -0.957 1
1 1121 . 6 1 1 A 95 95 PHE N N 95 124.488 126.414 -1.926 1
1 1122 . 6 1 1 A 95 95 PHE H H 95 9.347 8.735 0.612 1
1 1123 . 6 1 1 A 95 95 PHE CA C 95 55.834 55.876 -0.042 1
1 1124 . 6 1 1 A 95 95 PHE HA H 95 5.321 5.376 -0.055 1
1 1125 . 6 1 1 A 95 95 PHE CB C 95 43.478 41.901 1.577 1
1 1138 . 6 1 1 A 95 95 PHE C C 95 174.780 175.479 -0.699 1
1 1139 . 6 1 1 A 96 96 SER N N 96 117.417 117.716 -0.299 1
1 1140 . 6 1 1 A 96 96 SER H H 96 10.108 9.130 0.978 1
1 1141 . 6 1 1 A 96 96 SER CA C 96 56.388 56.684 -0.296 1
1 1142 . 6 1 1 A 96 96 SER HA H 96 5.575 5.509 0.066 1
1 1143 . 6 1 1 A 96 96 SER CB C 96 67.188 66.359 0.829 1
1 1146 . 6 1 1 A 96 96 SER C C 96 173.079 173.350 -0.271 1
1 1147 . 6 1 1 A 97 97 PHE N N 97 114.813 118.665 -3.852 1
1 1148 . 6 1 1 A 97 97 PHE H H 97 7.991 8.637 -0.646 1
1 1149 . 6 1 1 A 97 97 PHE CA C 97 56.003 55.917 0.086 1
1 1150 . 6 1 1 A 97 97 PHE HA H 97 5.249 5.299 -0.050 1
1 1151 . 6 1 1 A 97 97 PHE CB C 97 42.008 42.153 -0.145 1
1 1164 . 6 1 1 A 97 97 PHE C C 97 174.316 173.034 1.282 1
1 1165 . 6 1 1 A 98 98 ASP N N 98 121.809 120.522 1.287 1
1 1166 . 6 1 1 A 98 98 ASP H H 98 8.297 9.040 -0.743 1
1 1167 . 6 1 1 A 98 98 ASP CA C 98 54.789 52.749 2.040 1
1 1168 . 6 1 1 A 98 98 ASP HA H 98 5.006 5.578 -0.572 1
1 1169 . 6 1 1 A 98 98 ASP CB C 98 42.282 42.268 0.014 1
1 1172 . 6 1 1 A 98 98 ASP C C 98 174.959 174.407 0.552 1
1 1173 . 6 1 1 A 99 99 ILE N N 99 126.714 126.186 0.528 1
1 1174 . 6 1 1 A 99 99 ILE H H 99 9.331 8.843 0.488 1
1 1175 . 6 1 1 A 99 99 ILE CA C 99 60.455 60.286 0.169 1
1 1176 . 6 1 1 A 99 99 ILE HA H 99 4.016 4.438 -0.422 1
1 1177 . 6 1 1 A 99 99 ILE CB C 99 42.110 39.473 2.637 1
1 1190 . 6 1 1 A 99 99 ILE C C 99 175.019 175.519 -0.500 1
1 1191 . 6 1 1 A 100 100 SER N N 100 122.590 121.006 1.584 1
1 1192 . 6 1 1 A 100 100 SER H H 100 8.345 8.480 -0.135 1
1 1193 . 6 1 1 A 100 100 SER CA C 100 58.848 56.474 2.374 1
1 1194 . 6 1 1 A 100 100 SER HA H 100 4.527 5.118 -0.591 1
1 1195 . 6 1 1 A 100 100 SER CB C 100 63.482 64.218 -0.736 1
1 1198 . 6 1 1 A 100 100 SER C C 100 173.557 174.417 -0.860 1
1 1199 . 6 1 1 A 101 101 LEU N N 101 124.776 125.926 -1.150 1
1 1200 . 6 1 1 A 101 101 LEU H H 101 8.277 8.990 -0.713 1
1 1201 . 6 1 1 A 101 101 LEU CA C 101 52.430 53.557 -1.127 1
1 1202 . 6 1 1 A 101 101 LEU HA H 101 4.375 4.637 -0.262 1
1 1203 . 6 1 1 A 101 101 LEU CB C 101 40.427 40.993 -0.566 1
1 1216 . 6 1 1 A 101 101 LEU C C 101 174.363 174.493 -0.130 1
1 1217 . 6 1 1 A 102 102 PRO CA C 102 62.488 62.261 0.227 1
1 1218 . 6 1 1 A 102 102 PRO HA H 102 4.259 4.402 -0.143 1
1 1219 . 6 1 1 A 102 102 PRO CB C 102 32.073 32.478 -0.405 1
1 1228 . 6 1 1 A 102 102 PRO C C 102 175.687 177.855 -2.168 1
1 1229 . 6 1 1 A 103 103 GLU N N 103 118.843 121.624 -2.781 1
1 1230 . 6 1 1 A 103 103 GLU H H 103 8.286 8.642 -0.356 1
1 1231 . 6 1 1 A 103 103 GLU CA C 103 58.131 59.065 -0.934 1
1 1232 . 6 1 1 A 103 103 GLU HA H 103 4.013 4.117 -0.104 1
1 1233 . 6 1 1 A 103 103 GLU CB C 103 30.344 29.218 1.126 1
1 1239 . 6 1 1 A 103 103 GLU C C 103 176.869 176.379 0.490 1
1 1240 . 6 1 1 A 104 104 LYS N N 104 116.544 115.689 0.855 1
1 1241 . 6 1 1 A 104 104 LYS H H 104 7.869 7.562 0.307 1
1 1242 . 6 1 1 A 104 104 LYS CA C 104 55.314 55.239 0.075 1
1 1243 . 6 1 1 A 104 104 LYS HA H 104 4.474 4.716 -0.242 1
1 1244 . 6 1 1 A 104 104 LYS CB C 104 33.428 34.156 -0.728 1
1 1256 . 6 1 1 A 104 104 LYS C C 104 175.231 173.796 1.435 1
1 1257 . 6 1 1 A 105 105 ILE N N 105 122.507 119.921 2.586 1
1 1258 . 6 1 1 A 105 105 ILE H H 105 8.236 8.735 -0.499 1
1 1259 . 6 1 1 A 105 105 ILE CA C 105 60.636 60.716 -0.080 1
1 1260 . 6 1 1 A 105 105 ILE HA H 105 4.190 4.949 -0.759 1
1 1261 . 6 1 1 A 105 105 ILE CB C 105 39.685 41.034 -1.349 1
1 1274 . 6 1 1 A 105 105 ILE C C 105 176.091 175.672 0.419 1
1 1275 . 6 1 1 A 106 106 GLN N N 106 124.467 127.147 -2.680 1
1 1276 . 6 1 1 A 106 106 GLN H H 106 8.752 9.169 -0.417 1
1 1277 . 6 1 1 A 106 106 GLN CA C 106 56.244 55.474 0.770 1
1 1278 . 6 1 1 A 106 106 GLN HA H 106 4.243 4.673 -0.430 1
1 1279 . 6 1 1 A 106 106 GLN CB C 106 28.717 28.765 -0.048 1
1 1288 . 6 1 1 A 106 106 GLN C C 106 177.593 175.477 2.116 1
1 1289 . 6 1 1 A 107 107 SER N N 107 116.963 113.913 3.050 1
1 1290 . 6 1 1 A 107 107 SER H H 107 8.623 8.302 0.321 1
1 1291 . 6 1 1 A 107 107 SER CA C 107 60.530 59.141 1.389 1
1 1292 . 6 1 1 A 107 107 SER HA H 107 4.152 4.219 -0.067 1
1 1293 . 6 1 1 A 107 107 SER CB C 107 63.187 61.008 2.179 1
1 1296 . 6 1 1 A 107 107 SER C C 107 174.222 174.608 -0.386 1
1 1297 . 6 1 1 A 108 108 TYR N N 108 116.323 120.193 -3.870 1
1 1298 . 6 1 1 A 108 108 TYR H H 108 7.330 8.270 -0.940 1
1 1299 . 6 1 1 A 108 108 TYR CA C 108 56.727 57.784 -1.057 1
1 1300 . 6 1 1 A 108 108 TYR HA H 108 4.655 4.682 -0.027 1
1 1301 . 6 1 1 A 108 108 TYR CB C 108 37.491 40.036 -2.545 1
1 1312 . 6 1 1 A 108 108 TYR C C 108 175.768 175.258 0.510 1
1 1313 . 6 1 1 A 109 109 GLU N N 109 120.523 118.572 1.951 1
1 1314 . 6 1 1 A 109 109 GLU H H 109 7.587 7.256 0.331 1
1 1315 . 6 1 1 A 109 109 GLU CA C 109 55.573 54.181 1.392 1
1 1316 . 6 1 1 A 109 109 GLU HA H 109 4.582 4.744 -0.162 1
1 1317 . 6 1 1 A 109 109 GLU CB C 109 31.360 32.819 -1.459 1
1 1323 . 6 1 1 A 109 109 GLU C C 109 176.013 175.192 0.821 1
1 1324 . 6 1 1 A 110 110 ARG N N 110 118.559 124.126 -5.567 1
1 1325 . 6 1 1 A 110 110 ARG H H 110 8.441 8.535 -0.094 1
1 1326 . 6 1 1 A 110 110 ARG CA C 110 55.667 56.902 -1.235 1
1 1327 . 6 1 1 A 110 110 ARG HA H 110 4.786 4.382 0.404 1
1 1328 . 6 1 1 A 110 110 ARG CB C 110 32.404 31.094 1.310 1
1 1339 . 6 1 1 A 110 110 ARG C C 110 174.387 174.737 -0.350 1
1 1340 . 6 1 1 A 111 111 MET N N 111 122.471 123.624 -1.153 1
1 1341 . 6 1 1 A 111 111 MET H H 111 8.665 8.528 0.137 1
1 1342 . 6 1 1 A 111 111 MET CA C 111 54.151 54.301 -0.150 1
1 1343 . 6 1 1 A 111 111 MET HA H 111 5.167 4.939 0.228 1
1 1344 . 6 1 1 A 111 111 MET CB C 111 35.735 35.324 0.411 1
1 1354 . 6 1 1 A 111 111 MET C C 111 174.924 174.282 0.642 1
1 1355 . 6 1 1 A 112 112 GLU N N 112 119.500 124.901 -5.401 1
1 1356 . 6 1 1 A 112 112 GLU H H 112 7.951 8.048 -0.097 1
1 1357 . 6 1 1 A 112 112 GLU CA C 112 53.909 54.699 -0.790 1
1 1358 . 6 1 1 A 112 112 GLU HA H 112 5.662 5.208 0.454 1
1 1359 . 6 1 1 A 112 112 GLU CB C 112 35.198 34.546 0.652 1
1 1365 . 6 1 1 A 112 112 GLU C C 112 174.483 174.734 -0.251 1
1 1366 . 6 1 1 A 113 113 PHE N N 113 115.033 117.448 -2.415 1
1 1367 . 6 1 1 A 113 113 PHE H H 113 9.278 8.873 0.405 1
1 1368 . 6 1 1 A 113 113 PHE CA C 113 55.857 56.490 -0.633 1
1 1369 . 6 1 1 A 113 113 PHE HA H 113 6.262 5.454 0.808 1
1 1370 . 6 1 1 A 113 113 PHE CB C 113 43.656 42.318 1.338 1
1 1383 . 6 1 1 A 113 113 PHE C C 113 172.253 172.712 -0.459 1
1 1384 . 6 1 1 A 114 114 ALA N N 114 121.461 122.351 -0.890 1
1 1385 . 6 1 1 A 114 114 ALA H H 114 9.475 9.010 0.465 1
1 1386 . 6 1 1 A 114 114 ALA CA C 114 50.860 50.802 0.058 1
1 1387 . 6 1 1 A 114 114 ALA HA H 114 5.026 5.485 -0.459 1
1 1388 . 6 1 1 A 114 114 ALA CB C 114 23.129 22.716 0.413 1
1 1392 . 6 1 1 A 114 114 ALA C C 114 174.903 176.892 -1.989 1
1 1393 . 6 1 1 A 115 115 VAL N N 115 120.899 123.042 -2.143 1
1 1394 . 6 1 1 A 115 115 VAL H H 115 8.928 8.809 0.119 1
1 1395 . 6 1 1 A 115 115 VAL CA C 115 61.379 63.440 -2.061 1
1 1396 . 6 1 1 A 115 115 VAL HA H 115 4.798 4.272 0.526 1
1 1397 . 6 1 1 A 115 115 VAL CB C 115 34.712 32.430 2.282 1
1 1407 . 6 1 1 A 115 115 VAL C C 115 174.444 174.911 -0.467 1
1 1408 . 6 1 1 A 116 116 TYR N N 116 123.426 128.071 -4.645 1
1 1409 . 6 1 1 A 116 116 TYR H H 116 8.963 8.337 0.626 1
1 1410 . 6 1 1 A 116 116 TYR CA C 116 55.480 54.351 1.129 1
1 1411 . 6 1 1 A 116 116 TYR HA H 116 5.081 4.647 0.434 1
1 1412 . 6 1 1 A 116 116 TYR CB C 116 38.928 40.002 -1.074 1
1 1423 . 6 1 1 A 116 116 TYR C C 116 172.208 173.066 -0.858 1
1 1424 . 6 1 1 A 117 117 TYR N N 117 123.249 130.220 -6.971 1
1 1425 . 6 1 1 A 117 117 TYR H H 117 8.858 8.757 0.101 1
1 1426 . 6 1 1 A 117 117 TYR CA C 117 52.371 56.410 -4.039 1
1 1427 . 6 1 1 A 117 117 TYR HA H 117 5.528 4.730 0.798 1
1 1428 . 6 1 1 A 117 117 TYR CB C 117 41.509 40.438 1.071 1
1 1439 . 6 1 1 A 117 117 TYR C C 117 173.159 173.465 -0.306 1
1 1440 . 6 1 1 A 118 118 GLU N N 118 127.681 128.040 -0.359 1
1 1441 . 6 1 1 A 118 118 GLU H H 118 9.368 8.499 0.869 1
1 1442 . 6 1 1 A 118 118 GLU CA C 118 54.179 55.256 -1.077 1
1 1443 . 6 1 1 A 118 118 GLU HA H 118 5.085 5.011 0.074 1
1 1444 . 6 1 1 A 118 118 GLU CB C 118 32.099 31.521 0.578 1
1 1450 . 6 1 1 A 118 118 GLU C C 118 175.565 174.788 0.777 1
1 1451 . 6 1 1 A 119 119 CYS N N 119 122.152 122.561 -0.409 1
1 1452 . 6 1 1 A 119 119 CYS H H 119 8.323 7.999 0.324 1
1 1453 . 6 1 1 A 119 119 CYS CA C 119 58.248 57.960 0.288 1
1 1454 . 6 1 1 A 119 119 CYS HA H 119 4.479 4.554 -0.075 1
1 1455 . 6 1 1 A 119 119 CYS CB C 119 29.065 30.121 -1.056 1
1 1458 . 6 1 1 A 119 119 CYS C C 119 174.586 173.137 1.449 1
1 1459 . 6 1 1 A 120 120 ASN N N 120 126.917 118.855 8.062 1
1 1460 . 6 1 1 A 120 120 ASN H H 120 9.858 9.259 0.599 1
1 1461 . 6 1 1 A 120 120 ASN CA C 120 53.735 54.456 -0.721 1
1 1462 . 6 1 1 A 120 120 ASN HA H 120 4.342 4.410 -0.068 1
1 1463 . 6 1 1 A 120 120 ASN CB C 120 37.873 37.400 0.473 1
1 1469 . 6 1 1 A 120 120 ASN C C 120 174.943 175.445 -0.502 1
1 1470 . 6 1 1 A 121 121 GLY N N 121 104.866 103.708 1.158 1
1 1471 . 6 1 1 A 121 121 GLY H H 121 8.776 8.558 0.218 1
1 1472 . 6 1 1 A 121 121 GLY CA C 121 45.586 46.482 -0.896 1
1 1473 . 6 1 1 A 121 121 GLY HA2 H 121 4.041 3.867 0.174 1
1 1474 . 6 1 1 A 121 121 GLY HA3 H 121 3.553 3.874 -0.321 1
1 1475 . 6 1 1 A 121 121 GLY C C 121 173.804 173.739 0.065 1
1 1476 . 6 1 1 A 122 122 GLN N N 122 119.988 118.642 1.346 1
1 1477 . 6 1 1 A 122 122 GLN H H 122 7.677 7.818 -0.141 1
1 1478 . 6 1 1 A 122 122 GLN CA C 122 53.624 53.492 0.132 1
1 1479 . 6 1 1 A 122 122 GLN HA H 122 4.395 4.779 -0.384 1
1 1480 . 6 1 1 A 122 122 GLN CB C 122 31.456 32.550 -1.094 1
1 1489 . 6 1 1 A 122 122 GLN C C 122 174.029 174.260 -0.231 1
1 1490 . 6 1 1 A 123 123 THR N N 123 116.337 115.807 0.530 1
1 1491 . 6 1 1 A 123 123 THR H H 123 7.990 8.353 -0.363 1
1 1492 . 6 1 1 A 123 123 THR CA C 123 61.935 61.074 0.861 1
1 1493 . 6 1 1 A 123 123 THR HA H 123 4.620 4.868 -0.248 1
1 1494 . 6 1 1 A 123 123 THR CB C 123 70.005 71.012 -1.007 1
1 1500 . 6 1 1 A 123 123 THR C C 123 172.596 172.841 -0.245 1
1 1501 . 6 1 1 A 124 124 TYR N N 124 128.915 125.154 3.761 1
1 1502 . 6 1 1 A 124 124 TYR H H 124 9.416 8.987 0.429 1
1 1503 . 6 1 1 A 124 124 TYR CA C 124 56.388 56.106 0.282 1
1 1504 . 6 1 1 A 124 124 TYR HA H 124 4.962 5.314 -0.352 1
1 1505 . 6 1 1 A 124 124 TYR CB C 124 40.688 40.781 -0.093 1
1 1516 . 6 1 1 A 124 124 TYR C C 124 174.284 174.560 -0.276 1
1 1517 . 6 1 1 A 125 125 TRP N N 125 119.850 123.780 -3.930 1
1 1518 . 6 1 1 A 125 125 TRP H H 125 8.738 9.195 -0.457 1
1 1519 . 6 1 1 A 125 125 TRP CA C 125 56.940 55.511 1.429 1
1 1520 . 6 1 1 A 125 125 TRP HA H 125 5.388 5.678 -0.290 1
1 1521 . 6 1 1 A 125 125 TRP CB C 125 33.031 31.944 1.087 1
1 1536 . 6 1 1 A 125 125 TRP C C 125 176.973 174.746 2.227 1
1 1537 . 6 1 1 A 126 126 ASP N N 126 118.759 125.830 -7.071 1
1 1538 . 6 1 1 A 126 126 ASP H H 126 9.436 8.961 0.475 1
1 1539 . 6 1 1 A 126 126 ASP CA C 126 53.968 52.883 1.085 1
1 1540 . 6 1 1 A 126 126 ASP HA H 126 5.213 5.338 -0.125 1
1 1541 . 6 1 1 A 126 126 ASP CB C 126 42.641 42.440 0.201 1
1 1544 . 6 1 1 A 126 126 ASP C C 126 176.043 174.428 1.615 1
1 1545 . 6 1 1 A 127 127 SER N N 127 119.074 119.809 -0.735 1
1 1546 . 6 1 1 A 127 127 SER H H 127 8.520 8.619 -0.099 1
1 1547 . 6 1 1 A 127 127 SER CA C 127 55.118 56.284 -1.166 1
1 1548 . 6 1 1 A 127 127 SER HA H 127 4.811 5.032 -0.221 1
1 1549 . 6 1 1 A 127 127 SER CB C 127 63.866 65.080 -1.214 1
1 1552 . 6 1 1 A 127 127 SER C C 127 175.840 173.150 2.690 1
1 1553 . 6 1 1 A 128 128 ASN N N 128 124.865 119.169 5.696 1
1 1554 . 6 1 1 A 128 128 ASN H H 128 9.242 8.041 1.201 1
1 1555 . 6 1 1 A 128 128 ASN CA C 128 53.224 53.988 -0.764 1
1 1556 . 6 1 1 A 128 128 ASN HA H 128 4.071 3.832 0.239 1
1 1557 . 6 1 1 A 128 128 ASN CB C 128 34.281 36.376 -2.095 1
1 1563 . 6 1 1 A 128 128 ASN C C 128 176.607 175.097 1.510 1
1 1564 . 6 1 1 A 129 129 ARG N N 129 114.718 117.469 -2.751 1
1 1565 . 6 1 1 A 129 129 ARG H H 129 9.475 7.956 1.519 1
1 1566 . 6 1 1 A 129 129 ARG CA C 129 56.798 56.898 -0.100 1
1 1567 . 6 1 1 A 129 129 ARG HA H 129 3.774 3.954 -0.180 1
1 1568 . 6 1 1 A 129 129 ARG CB C 129 27.145 28.022 -0.877 1
1 1579 . 6 1 1 A 129 129 ARG C C 129 176.132 174.889 1.243 1
1 1580 . 6 1 1 A 130 130 GLY N N 130 106.337 107.735 -1.398 1
1 1581 . 6 1 1 A 130 130 GLY H H 130 7.568 7.941 -0.373 1
1 1582 . 6 1 1 A 130 130 GLY CA C 130 44.896 46.120 -1.224 1
1 1583 . 6 1 1 A 130 130 GLY HA2 H 130 4.103 4.005 0.098 1
1 1584 . 6 1 1 A 130 130 GLY HA3 H 130 3.425 4.018 -0.593 1
1 1585 . 6 1 1 A 130 130 GLY C C 130 174.521 174.180 0.341 1
1 1586 . 6 1 1 A 131 131 LYS N N 131 119.902 123.225 -3.323 1
1 1587 . 6 1 1 A 131 131 LYS H H 131 7.278 8.124 -0.846 1
1 1588 . 6 1 1 A 131 131 LYS CA C 131 57.336 58.078 -0.742 1
1 1589 . 6 1 1 A 131 131 LYS HA H 131 4.132 4.221 -0.089 1
1 1590 . 6 1 1 A 131 131 LYS CB C 131 33.719 32.675 1.044 1
1 1602 . 6 1 1 A 131 131 LYS C C 131 177.813 176.584 1.229 1
1 1603 . 6 1 1 A 132 132 ASN N N 132 107.489 111.965 -4.476 1
1 1604 . 6 1 1 A 132 132 ASN H H 132 8.268 7.777 0.491 1
1 1605 . 6 1 1 A 132 132 ASN CA C 132 54.717 52.138 2.579 1
1 1606 . 6 1 1 A 132 132 ASN HA H 132 3.691 4.850 -1.159 1
1 1607 . 6 1 1 A 132 132 ASN CB C 132 39.462 40.900 -1.438 1
1 1613 . 6 1 1 A 132 132 ASN C C 132 172.611 172.978 -0.367 1
1 1614 . 6 1 1 A 133 133 TYR N N 133 120.541 120.501 0.040 1
1 1615 . 6 1 1 A 133 133 TYR H H 133 8.696 8.423 0.273 1
1 1616 . 6 1 1 A 133 133 TYR CA C 133 58.334 58.227 0.107 1
1 1617 . 6 1 1 A 133 133 TYR HA H 133 3.879 4.228 -0.349 1
1 1618 . 6 1 1 A 133 133 TYR CB C 133 35.955 37.143 -1.188 1
1 1627 . 6 1 1 A 133 133 TYR C C 133 175.026 175.031 -0.005 1
1 1628 . 6 1 1 A 134 134 ARG N N 134 123.205 126.129 -2.924 1
1 1629 . 6 1 1 A 134 134 ARG H H 134 8.584 8.498 0.086 1
1 1630 . 6 1 1 A 134 134 ARG CA C 134 56.025 56.306 -0.281 1
1 1631 . 6 1 1 A 134 134 ARG HA H 134 5.043 4.717 0.326 1
1 1632 . 6 1 1 A 134 134 ARG CB C 134 32.734 31.170 1.564 1
1 1643 . 6 1 1 A 134 134 ARG C C 134 174.511 175.136 -0.625 1
1 1644 . 6 1 1 A 135 135 ILE N N 135 124.430 126.298 -1.868 1
1 1645 . 6 1 1 A 135 135 ILE H H 135 8.429 8.579 -0.150 1
1 1646 . 6 1 1 A 135 135 ILE CA C 135 61.078 60.459 0.619 1
1 1647 . 6 1 1 A 135 135 ILE HA H 135 4.797 4.847 -0.050 1
1 1648 . 6 1 1 A 135 135 ILE CB C 135 39.875 39.650 0.225 1
1 1661 . 6 1 1 A 135 135 ILE C C 135 175.279 175.615 -0.336 1
1 1662 . 6 1 1 A 136 136 ILE N N 136 120.496 123.491 -2.995 1
1 1663 . 6 1 1 A 136 136 ILE H H 136 9.000 9.016 -0.016 1
1 1664 . 6 1 1 A 136 136 ILE CA C 136 59.359 59.094 0.265 1
1 1665 . 6 1 1 A 136 136 ILE HA H 136 5.028 5.204 -0.176 1
1 1666 . 6 1 1 A 136 136 ILE CB C 136 42.170 41.175 0.995 1
1 1679 . 6 1 1 A 136 136 ILE C C 136 175.144 175.412 -0.268 1
1 1680 . 6 1 1 A 137 137 ARG N N 137 122.183 124.276 -2.093 1
1 1681 . 6 1 1 A 137 137 ARG H H 137 8.535 8.407 0.128 1
1 1682 . 6 1 1 A 137 137 ARG CA C 137 56.339 55.797 0.542 1
1 1683 . 6 1 1 A 137 137 ARG HA H 137 4.402 3.992 0.410 1
1 1684 . 6 1 1 A 137 137 ARG CB C 137 30.696 31.030 -0.334 1
1 1695 . 6 1 1 A 137 137 ARG C C 137 176.646 177.389 -0.743 1
1 1696 . 6 1 1 A 138 138 ALA N N 138 126.694 127.739 -1.045 1
1 1697 . 6 1 1 A 138 138 ALA H H 138 8.353 8.482 -0.129 1
1 1698 . 6 1 1 A 138 138 ALA CA C 138 52.808 55.097 -2.289 1
1 1699 . 6 1 1 A 138 138 ALA HA H 138 4.134 3.937 0.197 1
1 1700 . 6 1 1 A 138 138 ALA CB C 138 19.536 17.958 1.578 1
1 1704 . 6 1 1 A 138 138 ALA C C 138 177.637 179.840 -2.203 1
1 1705 . 6 1 1 A 139 139 GLU N N 139 119.890 116.185 3.705 1
1 1706 . 6 1 1 A 139 139 GLU H H 139 8.615 8.159 0.456 1
1 1707 . 6 1 1 A 139 139 GLU CA C 139 56.586 58.839 -2.253 1
1 1708 . 6 1 1 A 139 139 GLU HA H 139 4.268 4.089 0.179 1
1 1709 . 6 1 1 A 139 139 GLU CB C 139 30.137 28.719 1.418 1
1 1715 . 6 1 1 A 139 139 GLU C C 139 176.488 178.303 -1.815 1
1 1716 . 6 1 1 A 140 140 LEU N N 140 123.350 119.748 3.602 1
1 1717 . 6 1 1 A 140 140 LEU H H 140 8.224 7.744 0.480 1
1 1718 . 6 1 1 A 140 140 LEU CA C 140 55.185 56.857 -1.672 1
1 1719 . 6 1 1 A 140 140 LEU HA H 140 4.339 4.253 0.086 1
1 1720 . 6 1 1 A 140 140 LEU CB C 140 42.294 43.098 -0.804 1
1 1733 . 6 1 1 A 140 140 LEU C C 140 177.456 177.532 -0.076 1
1 1734 . 6 1 1 A 141 141 LYS N N 141 122.155 118.921 3.234 1
1 1735 . 6 1 1 A 141 141 LYS H H 141 8.239 7.242 0.997 1
1 1736 . 6 1 1 A 141 141 LYS CA C 141 56.480 54.848 1.632 1
1 1737 . 6 1 1 A 141 141 LYS HA H 141 4.309 4.482 -0.173 1
1 1738 . 6 1 1 A 141 141 LYS CB C 141 32.976 32.620 0.356 1
1 1750 . 6 1 1 A 141 141 LYS C C 141 176.734 174.815 1.919 1
1 1751 . 6 1 1 A 142 142 SER N N 142 116.816 120.634 -3.818 1
1 1752 . 6 1 1 A 142 142 SER H H 142 8.369 8.413 -0.044 1
1 1753 . 6 1 1 A 142 142 SER CA C 142 58.425 58.016 0.409 1
1 1754 . 6 1 1 A 142 142 SER HA H 142 4.529 4.582 -0.053 1
1 1755 . 6 1 1 A 142 142 SER CB C 142 63.836 64.887 -1.051 1
1 1758 . 6 1 1 A 142 142 SER C C 142 175.185 173.991 1.194 1
1 1759 . 6 1 1 A 143 143 THR N N 143 115.566 114.810 0.756 1
1 1760 . 6 1 1 A 143 143 THR H H 143 8.235 8.626 -0.391 1
1 1761 . 6 1 1 A 143 143 THR CA C 143 61.999 61.717 0.282 1
1 1762 . 6 1 1 A 143 143 THR HA H 143 4.389 4.350 0.039 1
1 1763 . 6 1 1 A 143 143 THR CB C 143 69.634 70.076 -0.442 1
1 1769 . 6 1 1 A 143 143 THR C C 143 174.937 173.958 0.979 1
1 1770 . 6 1 1 A 144 144 GLN N N 144 122.469 122.578 -0.109 1
1 1771 . 6 1 1 A 144 144 GLN H H 144 8.345 8.449 -0.104 1
1 1772 . 6 1 1 A 144 144 GLN CA C 144 56.480 54.426 2.054 1
1 1773 . 6 1 1 A 144 144 GLN HA H 144 4.307 4.624 -0.317 1
1 1774 . 6 1 1 A 144 144 GLN CB C 144 29.307 29.947 -0.640 1
1 1783 . 6 1 1 A 144 144 GLN C C 144 176.536 175.872 0.664 1
1 1784 . 6 1 1 A 145 145 GLY N N 145 110.021 116.216 -6.195 1
1 1785 . 6 1 1 A 145 145 GLY H H 145 8.461 8.858 -0.397 1
1 1786 . 6 1 1 A 145 145 GLY CA C 145 45.355 45.923 -0.568 1
1 1787 . 6 1 1 A 145 145 GLY HA2 H 145 3.967 3.848 0.119 1
1 1788 . 6 1 1 A 145 145 GLY HA3 H 145 3.967 3.849 0.118 1
1 1789 . 6 1 1 A 145 145 GLY C C 145 174.123 173.937 0.186 1
1 1790 . 6 1 1 A 146 146 MET N N 146 119.836 121.992 -2.156 1
1 1791 . 6 1 1 A 146 146 MET H H 146 8.197 8.317 -0.120 1
1 1792 . 6 1 1 A 146 146 MET CA C 146 55.594 55.749 -0.155 1
1 1793 . 6 1 1 A 146 146 MET HA H 146 4.538 4.455 0.083 1
1 1794 . 6 1 1 A 146 146 MET CB C 146 33.090 33.443 -0.353 1
1 1804 . 6 1 1 A 146 146 MET C C 146 176.454 175.832 0.622 1
1 1805 . 6 1 1 A 147 147 THR N N 147 116.248 119.047 -2.799 1
1 1806 . 6 1 1 A 147 147 THR H H 147 8.239 8.005 0.234 1
1 1807 . 6 1 1 A 147 147 THR CA C 147 61.959 62.821 -0.862 1
1 1808 . 6 1 1 A 147 147 THR HA H 147 4.318 4.191 0.127 1
1 1809 . 6 1 1 A 147 147 THR CB C 147 69.875 69.523 0.352 1
1 1815 . 6 1 1 A 147 147 THR C C 147 174.141 174.421 -0.280 1
1 1816 . 6 1 1 A 148 148 LYS N N 148 125.399 127.451 -2.052 1
1 1817 . 6 1 1 A 148 148 LYS H H 148 8.387 8.450 -0.063 1
1 1818 . 6 1 1 A 148 148 LYS CA C 148 54.186 53.575 0.611 1
1 1819 . 6 1 1 A 148 148 LYS HA H 148 4.617 4.743 -0.126 1
1 1820 . 6 1 1 A 148 148 LYS CB C 148 32.651 32.029 0.622 1
1 1832 . 6 1 1 A 148 148 LYS C C 148 174.388 174.457 -0.069 1
1 1833 . 6 1 1 A 149 149 PRO CA C 149 63.178 62.519 0.659 1
1 1834 . 6 1 1 A 149 149 PRO HA H 149 4.406 4.762 -0.356 1
1 1835 . 6 1 1 A 149 149 PRO CB C 149 32.164 33.007 -0.843 1
1 1844 . 6 1 1 A 150 150 HIS CA C 150 56.264 53.507 2.757 1
1 1845 . 6 1 1 A 150 150 HIS HA H 150 4.626 5.290 -0.664 1
1 1846 . 6 1 1 A 150 150 HIS CB C 150 30.574 32.829 -2.255 1
1 1852 . 6 1 1 A 151 151 SER CA C 151 58.018 59.024 -1.006 1
1 1853 . 6 1 1 A 151 151 SER HA H 151 4.475 4.500 -0.025 1
1 1854 . 6 1 1 A 151 151 SER CB C 151 64.139 63.693 0.446 1
1 1856 . 6 1 1 A 151 151 SER C C 151 174.253 174.672 -0.419 1
1 1857 . 6 1 1 A 152 152 GLY N N 152 110.964 111.827 -0.863 1
1 1858 . 6 1 1 A 152 152 GLY H H 152 8.276 8.200 0.076 1
1 1859 . 6 1 1 A 152 152 GLY CA C 152 44.637 43.984 0.653 1
1 1860 . 6 1 1 A 152 152 GLY HA2 H 152 4.120 4.035 0.085 1
1 1861 . 6 1 1 A 152 152 GLY HA3 H 152 4.120 4.085 0.035 1
1 1862 . 6 1 1 A 152 152 GLY C C 152 171.668 174.836 -3.168 1
1 1863 . 6 1 1 A 153 153 PRO CA C 153 63.147 63.913 -0.766 1
1 1864 . 6 1 1 A 153 153 PRO HA H 153 4.425 4.529 -0.104 1
1 1865 . 6 1 1 A 153 153 PRO CB C 153 32.149 31.695 0.454 1
1 1874 . 6 1 1 A 153 153 PRO C C 153 176.656 176.877 -0.221 1
1 1875 . 6 1 1 A 154 154 ASP N N 154 120.420 118.997 1.423 1
1 1876 . 6 1 1 A 154 154 ASP H H 154 8.463 8.104 0.359 1
1 1877 . 6 1 1 A 154 154 ASP CA C 154 54.429 52.682 1.747 1
1 1878 . 6 1 1 A 154 154 ASP HA H 154 4.575 4.623 -0.048 1
1 1879 . 6 1 1 A 154 154 ASP CB C 154 40.979 39.112 1.867 1
1 1882 . 6 1 1 A 154 154 ASP C C 154 176.163 175.503 0.660 1
1 1883 . 6 1 1 A 155 155 LEU N N 155 123.563 116.410 7.153 1
1 1884 . 6 1 1 A 155 155 LEU H H 155 8.266 8.579 -0.313 1
1 1885 . 6 1 1 A 155 155 LEU CA C 155 55.022 56.217 -1.195 1
1 1886 . 6 1 1 A 155 155 LEU HA H 155 4.358 4.017 0.341 1
1 1887 . 6 1 1 A 155 155 LEU CB C 155 42.157 40.687 1.470 1
1 1900 . 6 1 1 A 155 155 LEU C C 155 176.990 176.824 0.166 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.655 56.819 1.836 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.501 4.768 -0.267 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.644 64.397 -0.753 1
1 6 . 7 1 1 A 6 6 SER C C 6 175.063 174.977 0.086 1
1 7 . 7 1 1 A 7 7 GLY N N 7 111.113 114.399 -3.286 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.473 8.323 0.150 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.373 47.062 -1.689 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 3.967 3.886 0.081 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 3.967 3.886 0.081 1
1 12 . 7 1 1 A 7 7 GLY C C 7 173.934 174.575 -0.641 1
1 13 . 7 1 1 A 8 8 ALA N N 8 123.788 122.909 0.879 1
1 14 . 7 1 1 A 8 8 ALA H H 8 8.197 8.003 0.194 1
1 15 . 7 1 1 A 8 8 ALA CA C 8 52.548 51.250 1.298 1
1 16 . 7 1 1 A 8 8 ALA HA H 8 4.342 4.543 -0.201 1
1 17 . 7 1 1 A 8 8 ALA CB C 8 19.403 19.644 -0.241 1
1 21 . 7 1 1 A 8 8 ALA C C 8 177.902 176.406 1.496 1
1 22 . 7 1 1 A 9 9 GLU N N 9 120.004 124.340 -4.336 1
1 23 . 7 1 1 A 9 9 GLU H H 9 8.524 9.045 -0.521 1
1 24 . 7 1 1 A 9 9 GLU CA C 9 56.763 55.310 1.453 1
1 25 . 7 1 1 A 9 9 GLU HA H 9 4.308 4.966 -0.658 1
1 26 . 7 1 1 A 9 9 GLU CB C 9 30.161 31.072 -0.911 1
1 32 . 7 1 1 A 9 9 GLU C C 9 176.646 175.748 0.898 1
1 33 . 7 1 1 A 10 10 SER N N 10 116.268 120.392 -4.124 1
1 34 . 7 1 1 A 10 10 SER H H 10 8.305 8.885 -0.580 1
1 35 . 7 1 1 A 10 10 SER CA C 10 58.426 57.842 0.584 1
1 36 . 7 1 1 A 10 10 SER HA H 10 4.429 5.011 -0.582 1
1 37 . 7 1 1 A 10 10 SER CB C 10 63.933 67.017 -3.084 1
1 40 . 7 1 1 A 10 10 SER C C 10 174.267 173.393 0.874 1
1 41 . 7 1 1 A 11 11 GLU N N 11 122.435 122.603 -0.168 1
1 42 . 7 1 1 A 11 11 GLU H H 11 8.368 8.491 -0.123 1
1 43 . 7 1 1 A 11 11 GLU CA C 11 56.233 57.352 -1.119 1
1 44 . 7 1 1 A 11 11 GLU HA H 11 4.367 4.290 0.077 1
1 45 . 7 1 1 A 11 11 GLU CB C 11 30.692 30.206 0.486 1
1 51 . 7 1 1 A 11 11 GLU C C 11 175.800 176.829 -1.029 1
1 52 . 7 1 1 A 12 12 SER N N 12 116.596 116.203 0.393 1
1 53 . 7 1 1 A 12 12 SER H H 12 8.299 8.491 -0.192 1
1 54 . 7 1 1 A 12 12 SER CA C 12 58.355 57.687 0.668 1
1 55 . 7 1 1 A 12 12 SER HA H 12 4.457 5.088 -0.631 1
1 56 . 7 1 1 A 12 12 SER CB C 12 64.573 65.089 -0.516 1
1 59 . 7 1 1 A 12 12 SER C C 12 173.309 173.941 -0.632 1
1 60 . 7 1 1 A 13 13 PHE N N 13 121.293 119.453 1.840 1
1 61 . 7 1 1 A 13 13 PHE H H 13 8.346 9.142 -0.796 1
1 62 . 7 1 1 A 13 13 PHE CA C 13 56.851 56.289 0.562 1
1 63 . 7 1 1 A 13 13 PHE HA H 13 5.384 5.311 0.073 1
1 64 . 7 1 1 A 13 13 PHE CB C 13 42.542 43.595 -1.053 1
1 77 . 7 1 1 A 13 13 PHE C C 13 174.500 174.643 -0.143 1
1 78 . 7 1 1 A 14 14 VAL N N 14 116.020 116.207 -0.187 1
1 79 . 7 1 1 A 14 14 VAL H H 14 9.313 9.214 0.099 1
1 80 . 7 1 1 A 14 14 VAL CA C 14 60.141 59.411 0.730 1
1 81 . 7 1 1 A 14 14 VAL HA H 14 4.455 4.910 -0.455 1
1 82 . 7 1 1 A 14 14 VAL CB C 14 36.318 36.237 0.081 1
1 92 . 7 1 1 A 14 14 VAL C C 14 174.668 174.704 -0.036 1
1 93 . 7 1 1 A 15 15 LEU N N 15 121.725 121.541 0.184 1
1 94 . 7 1 1 A 15 15 LEU H H 15 8.476 8.586 -0.110 1
1 95 . 7 1 1 A 15 15 LEU CA C 15 54.800 53.066 1.734 1
1 96 . 7 1 1 A 15 15 LEU HA H 15 4.403 4.862 -0.459 1
1 97 . 7 1 1 A 15 15 LEU CB C 15 39.816 42.620 -2.804 1
1 110 . 7 1 1 A 15 15 LEU C C 15 177.001 176.398 0.603 1
1 111 . 7 1 1 A 16 16 ASP N N 16 126.576 125.049 1.527 1
1 112 . 7 1 1 A 16 16 ASP H H 16 8.766 8.794 -0.028 1
1 113 . 7 1 1 A 16 16 ASP CA C 16 52.828 53.439 -0.611 1
1 114 . 7 1 1 A 16 16 ASP HA H 16 5.081 4.851 0.230 1
1 115 . 7 1 1 A 16 16 ASP CB C 16 42.268 41.166 1.102 1
1 118 . 7 1 1 A 16 16 ASP C C 16 174.640 175.843 -1.203 1
1 119 . 7 1 1 A 17 17 PHE N N 17 112.958 117.249 -4.291 1
1 120 . 7 1 1 A 17 17 PHE H H 17 6.915 7.142 -0.227 1
1 121 . 7 1 1 A 17 17 PHE CA C 17 55.489 56.320 -0.831 1
1 122 . 7 1 1 A 17 17 PHE HA H 17 4.938 5.108 -0.170 1
1 123 . 7 1 1 A 17 17 PHE CB C 17 39.154 41.369 -2.215 1
1 136 . 7 1 1 A 17 17 PHE C C 17 173.746 173.528 0.218 1
1 137 . 7 1 1 A 18 18 SER N N 18 114.977 114.950 0.027 1
1 138 . 7 1 1 A 18 18 SER H H 18 8.569 8.791 -0.222 1
1 139 . 7 1 1 A 18 18 SER CA C 18 57.046 57.985 -0.939 1
1 140 . 7 1 1 A 18 18 SER HA H 18 4.670 4.536 0.134 1
1 141 . 7 1 1 A 18 18 SER CB C 18 63.974 63.868 0.106 1
1 144 . 7 1 1 A 18 18 SER C C 18 175.437 174.706 0.731 1
1 145 . 7 1 1 A 19 19 GLN N N 19 123.586 122.887 0.699 1
1 146 . 7 1 1 A 19 19 GLN H H 19 9.033 8.447 0.586 1
1 147 . 7 1 1 A 19 19 GLN CA C 19 54.023 55.045 -1.022 1
1 148 . 7 1 1 A 19 19 GLN HA H 19 4.558 4.442 0.116 1
1 149 . 7 1 1 A 19 19 GLN CB C 19 27.994 28.580 -0.586 1
1 158 . 7 1 1 A 19 19 GLN C C 19 177.642 176.210 1.432 1
1 159 . 7 1 1 A 20 20 PRO CA C 20 65.836 65.461 0.375 1
1 160 . 7 1 1 A 20 20 PRO HA H 20 4.370 4.514 -0.144 1
1 161 . 7 1 1 A 20 20 PRO CB C 20 32.556 32.196 0.360 1
1 170 . 7 1 1 A 20 20 PRO C C 20 178.374 178.607 -0.233 1
1 171 . 7 1 1 A 21 21 SER N N 21 104.386 112.335 -7.949 1
1 172 . 7 1 1 A 21 21 SER H H 21 7.216 7.940 -0.724 1
1 173 . 7 1 1 A 21 21 SER CA C 21 58.886 61.384 -2.498 1
1 174 . 7 1 1 A 21 21 SER HA H 21 3.271 3.818 -0.547 1
1 175 . 7 1 1 A 21 21 SER CB C 21 62.401 62.488 -0.087 1
1 178 . 7 1 1 A 21 21 SER C C 21 174.423 176.863 -2.440 1
1 179 . 7 1 1 A 22 22 ALA N N 22 123.008 122.686 0.322 1
1 180 . 7 1 1 A 22 22 ALA H H 22 7.700 8.057 -0.357 1
1 181 . 7 1 1 A 22 22 ALA CA C 22 53.968 55.587 -1.619 1
1 182 . 7 1 1 A 22 22 ALA HA H 22 4.198 4.080 0.118 1
1 183 . 7 1 1 A 22 22 ALA CB C 22 18.504 19.032 -0.528 1
1 187 . 7 1 1 A 22 22 ALA C C 22 177.624 177.802 -0.178 1
1 188 . 7 1 1 A 23 23 ASP N N 23 117.789 117.275 0.514 1
1 189 . 7 1 1 A 23 23 ASP H H 23 7.080 8.111 -1.031 1
1 190 . 7 1 1 A 23 23 ASP CA C 23 52.151 52.897 -0.746 1
1 191 . 7 1 1 A 23 23 ASP HA H 23 4.893 4.983 -0.090 1
1 192 . 7 1 1 A 23 23 ASP CB C 23 40.592 39.929 0.663 1
1 195 . 7 1 1 A 23 23 ASP C C 23 175.032 175.895 -0.863 1
1 196 . 7 1 1 A 24 24 TYR N N 24 123.295 126.719 -3.424 1
1 197 . 7 1 1 A 24 24 TYR H H 24 8.217 8.953 -0.736 1
1 198 . 7 1 1 A 24 24 TYR CA C 24 61.711 61.540 0.171 1
1 199 . 7 1 1 A 24 24 TYR HA H 24 4.196 4.028 0.168 1
1 200 . 7 1 1 A 24 24 TYR CB C 24 38.456 39.366 -0.910 1
1 211 . 7 1 1 A 24 24 TYR C C 24 177.434 177.235 0.199 1
1 212 . 7 1 1 A 25 25 LEU N N 25 119.429 121.153 -1.724 1
1 213 . 7 1 1 A 25 25 LEU H H 25 8.074 8.569 -0.495 1
1 214 . 7 1 1 A 25 25 LEU CA C 25 57.691 58.435 -0.744 1
1 215 . 7 1 1 A 25 25 LEU HA H 25 3.967 3.867 0.100 1
1 216 . 7 1 1 A 25 25 LEU CB C 25 41.388 41.648 -0.260 1
1 229 . 7 1 1 A 25 25 LEU C C 25 178.768 178.501 0.267 1
1 230 . 7 1 1 A 26 26 ASP N N 26 119.881 118.797 1.084 1
1 231 . 7 1 1 A 26 26 ASP H H 26 7.561 8.287 -0.726 1
1 232 . 7 1 1 A 26 26 ASP CA C 26 57.625 56.789 0.836 1
1 233 . 7 1 1 A 26 26 ASP HA H 26 4.367 4.405 -0.038 1
1 234 . 7 1 1 A 26 26 ASP CB C 26 42.955 41.354 1.601 1
1 237 . 7 1 1 A 26 26 ASP C C 26 177.657 178.518 -0.861 1
1 238 . 7 1 1 A 27 27 PHE N N 27 118.946 120.518 -1.572 1
1 239 . 7 1 1 A 27 27 PHE H H 27 8.750 8.265 0.485 1
1 240 . 7 1 1 A 27 27 PHE CA C 27 61.323 61.144 0.179 1
1 241 . 7 1 1 A 27 27 PHE HA H 27 4.088 4.150 -0.062 1
1 242 . 7 1 1 A 27 27 PHE CB C 27 39.606 39.554 0.052 1
1 255 . 7 1 1 A 27 27 PHE C C 27 176.662 177.222 -0.560 1
1 256 . 7 1 1 A 28 28 ARG N N 28 116.744 118.706 -1.962 1
1 257 . 7 1 1 A 28 28 ARG H H 28 8.079 8.599 -0.520 1
1 258 . 7 1 1 A 28 28 ARG CA C 28 59.051 58.760 0.291 1
1 259 . 7 1 1 A 28 28 ARG HA H 28 3.590 3.904 -0.314 1
1 260 . 7 1 1 A 28 28 ARG CB C 28 29.516 29.806 -0.290 1
1 269 . 7 1 1 A 28 28 ARG C C 28 179.306 178.179 1.127 1
1 270 . 7 1 1 A 29 29 ASN N N 29 119.381 117.813 1.568 1
1 271 . 7 1 1 A 29 29 ASN H H 29 8.106 8.441 -0.335 1
1 272 . 7 1 1 A 29 29 ASN CA C 29 55.861 55.724 0.137 1
1 273 . 7 1 1 A 29 29 ASN HA H 29 4.361 4.387 -0.026 1
1 274 . 7 1 1 A 29 29 ASN CB C 29 37.622 38.272 -0.650 1
1 280 . 7 1 1 A 29 29 ASN C C 29 178.555 177.918 0.637 1
1 281 . 7 1 1 A 30 30 ARG N N 30 123.244 119.172 4.072 1
1 282 . 7 1 1 A 30 30 ARG H H 30 8.640 7.815 0.825 1
1 283 . 7 1 1 A 30 30 ARG CA C 30 59.708 58.468 1.240 1
1 284 . 7 1 1 A 30 30 ARG HA H 30 3.912 4.033 -0.121 1
1 285 . 7 1 1 A 30 30 ARG CB C 30 30.910 29.996 0.914 1
1 296 . 7 1 1 A 30 30 ARG C C 30 178.651 178.344 0.307 1
1 297 . 7 1 1 A 31 31 LEU N N 31 119.911 121.655 -1.744 1
1 298 . 7 1 1 A 31 31 LEU H H 31 7.988 7.509 0.479 1
1 299 . 7 1 1 A 31 31 LEU CA C 31 58.049 56.706 1.343 1
1 300 . 7 1 1 A 31 31 LEU HA H 31 3.409 3.915 -0.506 1
1 301 . 7 1 1 A 31 31 LEU CB C 31 41.342 41.154 0.188 1
1 314 . 7 1 1 A 31 31 LEU C C 31 178.698 178.023 0.675 1
1 315 . 7 1 1 A 32 32 GLN N N 32 114.904 118.497 -3.593 1
1 316 . 7 1 1 A 32 32 GLN H H 32 7.416 8.054 -0.638 1
1 317 . 7 1 1 A 32 32 GLN CA C 32 58.019 57.770 0.249 1
1 318 . 7 1 1 A 32 32 GLN HA H 32 3.891 4.095 -0.204 1
1 319 . 7 1 1 A 32 32 GLN CB C 32 28.679 28.818 -0.139 1
1 328 . 7 1 1 A 32 32 GLN C C 32 176.457 176.898 -0.441 1
1 329 . 7 1 1 A 33 33 ALA N N 33 119.088 120.752 -1.664 1
1 330 . 7 1 1 A 33 33 ALA H H 33 7.791 7.430 0.361 1
1 331 . 7 1 1 A 33 33 ALA CA C 33 54.057 52.919 1.138 1
1 332 . 7 1 1 A 33 33 ALA HA H 33 4.099 4.134 -0.035 1
1 333 . 7 1 1 A 33 33 ALA CB C 33 19.921 19.157 0.764 1
1 337 . 7 1 1 A 33 33 ALA C C 33 178.303 177.648 0.655 1
1 338 . 7 1 1 A 34 34 ASP N N 34 115.377 116.901 -1.524 1
1 339 . 7 1 1 A 34 34 ASP H H 34 8.662 7.760 0.902 1
1 340 . 7 1 1 A 34 34 ASP CA C 34 55.153 53.462 1.691 1
1 341 . 7 1 1 A 34 34 ASP HA H 34 4.698 4.573 0.125 1
1 342 . 7 1 1 A 34 34 ASP CB C 34 41.976 41.410 0.566 1
1 345 . 7 1 1 A 34 34 ASP C C 34 177.531 175.456 2.075 1
1 346 . 7 1 1 A 35 35 HIS N N 35 108.110 116.207 -8.097 1
1 347 . 7 1 1 A 35 35 HIS H H 35 7.018 7.685 -0.667 1
1 348 . 7 1 1 A 35 35 HIS CA C 35 58.336 56.820 1.516 1
1 349 . 7 1 1 A 35 35 HIS HA H 35 4.543 4.366 0.177 1
1 350 . 7 1 1 A 35 35 HIS CB C 35 26.472 26.482 -0.010 1
1 357 . 7 1 1 A 35 35 HIS C C 35 171.507 173.358 -1.851 1
1 358 . 7 1 1 A 36 36 VAL N N 36 115.529 116.650 -1.121 1
1 359 . 7 1 1 A 36 36 VAL H H 36 7.065 7.396 -0.331 1
1 360 . 7 1 1 A 36 36 VAL CA C 36 58.549 60.709 -2.160 1
1 361 . 7 1 1 A 36 36 VAL HA H 36 4.867 4.461 0.406 1
1 362 . 7 1 1 A 36 36 VAL CB C 36 33.135 34.324 -1.189 1
1 372 . 7 1 1 A 36 36 VAL C C 36 171.953 173.686 -1.733 1
1 373 . 7 1 1 A 37 37 CYS N N 37 124.685 124.566 0.119 1
1 374 . 7 1 1 A 37 37 CYS H H 37 8.694 8.252 0.442 1
1 375 . 7 1 1 A 37 37 CYS CA C 37 59.979 58.437 1.542 1
1 376 . 7 1 1 A 37 37 CYS HA H 37 4.594 5.069 -0.475 1
1 377 . 7 1 1 A 37 37 CYS CB C 37 29.016 30.968 -1.952 1
1 380 . 7 1 1 A 37 37 CYS C C 37 173.445 172.951 0.494 1
1 381 . 7 1 1 A 38 38 LEU N N 38 132.291 127.103 5.188 1
1 382 . 7 1 1 A 38 38 LEU H H 38 9.625 8.868 0.757 1
1 383 . 7 1 1 A 38 38 LEU CA C 38 57.958 55.258 2.700 1
1 384 . 7 1 1 A 38 38 LEU HA H 38 4.167 4.775 -0.608 1
1 385 . 7 1 1 A 38 38 LEU CB C 38 42.189 42.736 -0.547 1
1 398 . 7 1 1 A 38 38 LEU C C 38 173.188 177.037 -3.849 1
1 399 . 7 1 1 A 39 39 GLU N N 39 127.988 128.274 -0.286 1
1 400 . 7 1 1 A 39 39 GLU H H 39 9.267 9.293 -0.026 1
1 401 . 7 1 1 A 39 39 GLU CA C 39 57.435 58.593 -1.158 1
1 402 . 7 1 1 A 39 39 GLU HA H 39 4.521 4.287 0.234 1
1 403 . 7 1 1 A 39 39 GLU CB C 39 31.891 30.268 1.623 1
1 409 . 7 1 1 A 39 39 GLU C C 39 175.300 176.439 -1.139 1
1 410 . 7 1 1 A 40 40 ASN N N 40 115.109 113.144 1.965 1
1 411 . 7 1 1 A 40 40 ASN H H 40 7.757 7.739 0.018 1
1 412 . 7 1 1 A 40 40 ASN CA C 40 52.151 51.780 0.371 1
1 413 . 7 1 1 A 40 40 ASN HA H 40 5.353 5.318 0.035 1
1 414 . 7 1 1 A 40 40 ASN CB C 40 43.324 41.708 1.616 1
1 420 . 7 1 1 A 40 40 ASN C C 40 173.918 173.242 0.676 1
1 421 . 7 1 1 A 41 41 CYS N N 41 120.861 119.858 1.003 1
1 422 . 7 1 1 A 41 41 CYS H H 41 9.646 9.068 0.578 1
1 423 . 7 1 1 A 41 41 CYS CA C 41 58.934 57.264 1.670 1
1 424 . 7 1 1 A 41 41 CYS HA H 41 5.167 5.204 -0.037 1
1 425 . 7 1 1 A 41 41 CYS CB C 41 30.293 29.986 0.307 1
1 428 . 7 1 1 A 41 41 CYS C C 41 171.600 173.726 -2.126 1
1 429 . 7 1 1 A 42 42 VAL N N 42 126.721 123.535 3.186 1
1 430 . 7 1 1 A 42 42 VAL H H 42 9.532 8.953 0.579 1
1 431 . 7 1 1 A 42 42 VAL CA C 42 60.463 60.092 0.371 1
1 432 . 7 1 1 A 42 42 VAL HA H 42 4.454 4.853 -0.399 1
1 433 . 7 1 1 A 42 42 VAL CB C 42 35.496 33.542 1.954 1
1 443 . 7 1 1 A 42 42 VAL C C 42 173.645 174.197 -0.552 1
1 444 . 7 1 1 A 43 43 LEU N N 43 127.183 124.588 2.595 1
1 445 . 7 1 1 A 43 43 LEU H H 43 8.597 8.694 -0.097 1
1 446 . 7 1 1 A 43 43 LEU CA C 43 54.209 53.642 0.567 1
1 447 . 7 1 1 A 43 43 LEU HA H 43 5.050 4.975 0.075 1
1 448 . 7 1 1 A 43 43 LEU CB C 43 43.450 45.800 -2.350 1
1 461 . 7 1 1 A 43 43 LEU C C 43 176.151 175.514 0.637 1
1 462 . 7 1 1 A 44 44 LYS N N 44 127.086 126.555 0.531 1
1 463 . 7 1 1 A 44 44 LYS H H 44 8.726 9.303 -0.577 1
1 464 . 7 1 1 A 44 44 LYS CA C 44 55.033 55.114 -0.081 1
1 465 . 7 1 1 A 44 44 LYS HA H 44 4.552 4.606 -0.054 1
1 466 . 7 1 1 A 44 44 LYS CB C 44 34.147 34.196 -0.049 1
1 478 . 7 1 1 A 44 44 LYS C C 44 175.176 177.992 -2.816 1
1 479 . 7 1 1 A 45 45 ASP N N 45 123.045 122.743 0.302 1
1 480 . 7 1 1 A 45 45 ASP H H 45 8.876 9.040 -0.164 1
1 481 . 7 1 1 A 45 45 ASP CA C 45 56.515 57.981 -1.466 1
1 482 . 7 1 1 A 45 45 ASP HA H 45 4.321 4.286 0.035 1
1 483 . 7 1 1 A 45 45 ASP CB C 45 39.782 41.222 -1.440 1
1 486 . 7 1 1 A 45 45 ASP C C 45 175.339 176.921 -1.582 1
1 487 . 7 1 1 A 46 46 LYS N N 46 118.201 113.446 4.755 1
1 488 . 7 1 1 A 46 46 LYS H H 46 8.620 7.663 0.957 1
1 489 . 7 1 1 A 46 46 LYS CA C 46 56.158 56.499 -0.341 1
1 490 . 7 1 1 A 46 46 LYS HA H 46 4.079 4.613 -0.534 1
1 491 . 7 1 1 A 46 46 LYS CB C 46 30.929 33.923 -2.994 1
1 503 . 7 1 1 A 46 46 LYS C C 46 174.615 175.581 -0.966 1
1 504 . 7 1 1 A 47 47 ALA N N 47 121.283 120.143 1.140 1
1 505 . 7 1 1 A 47 47 ALA H H 47 7.611 7.663 -0.052 1
1 506 . 7 1 1 A 47 47 ALA CA C 47 51.809 51.158 0.651 1
1 507 . 7 1 1 A 47 47 ALA HA H 47 5.105 4.827 0.278 1
1 508 . 7 1 1 A 47 47 ALA CB C 47 22.739 23.532 -0.793 1
1 512 . 7 1 1 A 47 47 ALA C C 47 175.508 175.044 0.464 1
1 513 . 7 1 1 A 48 48 ILE N N 48 114.639 113.325 1.314 1
1 514 . 7 1 1 A 48 48 ILE H H 48 8.819 8.567 0.252 1
1 515 . 7 1 1 A 48 48 ILE CA C 48 59.017 59.239 -0.222 1
1 516 . 7 1 1 A 48 48 ILE HA H 48 5.230 5.059 0.171 1
1 517 . 7 1 1 A 48 48 ILE CB C 48 41.811 42.461 -0.650 1
1 530 . 7 1 1 A 48 48 ILE C C 48 172.954 173.996 -1.042 1
1 531 . 7 1 1 A 49 49 ALA N N 49 126.155 122.426 3.729 1
1 532 . 7 1 1 A 49 49 ALA H H 49 8.652 8.303 0.349 1
1 533 . 7 1 1 A 49 49 ALA CA C 49 50.095 50.993 -0.898 1
1 534 . 7 1 1 A 49 49 ALA HA H 49 4.769 5.035 -0.266 1
1 535 . 7 1 1 A 49 49 ALA CB C 49 22.651 23.078 -0.427 1
1 539 . 7 1 1 A 49 49 ALA C C 49 175.812 175.631 0.181 1
1 540 . 7 1 1 A 50 50 GLY N N 50 105.980 105.290 0.690 1
1 541 . 7 1 1 A 50 50 GLY H H 50 6.754 7.100 -0.346 1
1 542 . 7 1 1 A 50 50 GLY CA C 50 46.134 45.054 1.080 1
1 543 . 7 1 1 A 50 50 GLY HA2 H 50 3.803 3.659 0.144 1
1 544 . 7 1 1 A 50 50 GLY HA3 H 50 4.077 3.935 0.142 1
1 545 . 7 1 1 A 50 50 GLY C C 50 172.510 172.168 0.342 1
1 546 . 7 1 1 A 51 51 THR N N 51 108.648 111.946 -3.298 1
1 547 . 7 1 1 A 51 51 THR H H 51 8.556 8.753 -0.197 1
1 548 . 7 1 1 A 51 51 THR CA C 51 59.116 59.974 -0.858 1
1 549 . 7 1 1 A 51 51 THR HA H 51 5.588 5.642 -0.054 1
1 550 . 7 1 1 A 51 51 THR CB C 51 72.737 70.777 1.960 1
1 556 . 7 1 1 A 51 51 THR C C 51 174.087 173.761 0.326 1
1 557 . 7 1 1 A 52 52 VAL N N 52 122.025 125.600 -3.575 1
1 558 . 7 1 1 A 52 52 VAL H H 52 9.746 9.608 0.138 1
1 559 . 7 1 1 A 52 52 VAL CA C 52 61.371 61.302 0.069 1
1 560 . 7 1 1 A 52 52 VAL HA H 52 4.463 4.777 -0.314 1
1 561 . 7 1 1 A 52 52 VAL CB C 52 36.986 33.980 3.006 1
1 571 . 7 1 1 A 52 52 VAL C C 52 174.687 175.378 -0.691 1
1 572 . 7 1 1 A 53 53 LYS N N 53 125.115 125.832 -0.717 1
1 573 . 7 1 1 A 53 53 LYS H H 53 8.567 9.009 -0.442 1
1 574 . 7 1 1 A 53 53 LYS CA C 53 53.668 54.934 -1.266 1
1 575 . 7 1 1 A 53 53 LYS HA H 53 5.599 5.076 0.523 1
1 576 . 7 1 1 A 53 53 LYS CB C 53 37.855 35.513 2.342 1
1 588 . 7 1 1 A 53 53 LYS C C 53 174.697 175.543 -0.846 1
1 589 . 7 1 1 A 54 54 VAL N N 54 110.661 117.936 -7.275 1
1 590 . 7 1 1 A 54 54 VAL H H 54 8.498 8.800 -0.302 1
1 591 . 7 1 1 A 54 54 VAL CA C 54 57.682 58.905 -1.223 1
1 592 . 7 1 1 A 54 54 VAL HA H 54 4.825 4.483 0.342 1
1 593 . 7 1 1 A 54 54 VAL CB C 54 34.634 35.493 -0.859 1
1 603 . 7 1 1 A 54 54 VAL C C 54 176.105 174.126 1.979 1
1 604 . 7 1 1 A 55 55 GLN N N 55 119.414 121.237 -1.823 1
1 605 . 7 1 1 A 55 55 GLN H H 55 7.924 8.478 -0.554 1
1 606 . 7 1 1 A 55 55 GLN CA C 55 56.023 55.763 0.260 1
1 607 . 7 1 1 A 55 55 GLN HA H 55 4.456 4.636 -0.180 1
1 608 . 7 1 1 A 55 55 GLN CB C 55 30.216 29.802 0.414 1
1 617 . 7 1 1 A 55 55 GLN C C 55 176.800 176.060 0.740 1
1 618 . 7 1 1 A 56 56 ASN N N 56 125.676 122.507 3.169 1
1 619 . 7 1 1 A 56 56 ASN H H 56 8.837 9.028 -0.191 1
1 620 . 7 1 1 A 56 56 ASN CA C 56 53.190 53.099 0.091 1
1 621 . 7 1 1 A 56 56 ASN HA H 56 4.575 4.895 -0.320 1
1 622 . 7 1 1 A 56 56 ASN CB C 56 36.855 37.314 -0.459 1
1 628 . 7 1 1 A 56 56 ASN C C 56 174.747 175.184 -0.437 1
1 629 . 7 1 1 A 57 57 LEU N N 57 124.779 123.747 1.032 1
1 630 . 7 1 1 A 57 57 LEU H H 57 7.284 8.740 -1.456 1
1 631 . 7 1 1 A 57 57 LEU CA C 57 55.224 57.159 -1.935 1
1 632 . 7 1 1 A 57 57 LEU HA H 57 4.326 4.247 0.079 1
1 633 . 7 1 1 A 57 57 LEU CB C 57 43.634 42.745 0.889 1
1 646 . 7 1 1 A 57 57 LEU C C 57 176.186 177.070 -0.884 1
1 647 . 7 1 1 A 58 58 ALA N N 58 119.342 119.443 -0.101 1
1 648 . 7 1 1 A 58 58 ALA H H 58 7.724 7.989 -0.265 1
1 649 . 7 1 1 A 58 58 ALA CA C 58 51.687 50.352 1.335 1
1 650 . 7 1 1 A 58 58 ALA HA H 58 4.343 4.705 -0.362 1
1 651 . 7 1 1 A 58 58 ALA CB C 58 21.122 21.135 -0.013 1
1 655 . 7 1 1 A 58 58 ALA C C 58 175.847 177.711 -1.864 1
1 656 . 7 1 1 A 59 59 PHE N N 59 118.235 118.875 -0.640 1
1 657 . 7 1 1 A 59 59 PHE H H 59 8.231 8.953 -0.722 1
1 658 . 7 1 1 A 59 59 PHE CA C 59 60.105 61.521 -1.416 1
1 659 . 7 1 1 A 59 59 PHE HA H 59 4.428 4.239 0.189 1
1 660 . 7 1 1 A 59 59 PHE CB C 59 40.386 39.674 0.712 1
1 673 . 7 1 1 A 59 59 PHE C C 59 176.670 174.803 1.867 1
1 674 . 7 1 1 A 60 60 GLU N N 60 120.295 117.125 3.170 1
1 675 . 7 1 1 A 60 60 GLU H H 60 8.482 7.833 0.649 1
1 676 . 7 1 1 A 60 60 GLU CA C 60 57.134 55.101 2.033 1
1 677 . 7 1 1 A 60 60 GLU HA H 60 4.306 4.891 -0.585 1
1 678 . 7 1 1 A 60 60 GLU CB C 60 29.569 32.439 -2.870 1
1 684 . 7 1 1 A 60 60 GLU C C 60 175.584 175.699 -0.115 1
1 685 . 7 1 1 A 61 61 LYS N N 61 123.512 118.779 4.733 1
1 686 . 7 1 1 A 61 61 LYS H H 61 8.377 9.097 -0.720 1
1 687 . 7 1 1 A 61 61 LYS CA C 61 55.939 54.952 0.987 1
1 688 . 7 1 1 A 61 61 LYS HA H 61 5.038 5.061 -0.023 1
1 689 . 7 1 1 A 61 61 LYS CB C 61 37.890 36.642 1.248 1
1 701 . 7 1 1 A 61 61 LYS C C 61 175.510 174.176 1.334 1
1 702 . 7 1 1 A 62 62 THR N N 62 117.107 112.768 4.339 1
1 703 . 7 1 1 A 62 62 THR H H 62 8.285 8.440 -0.155 1
1 704 . 7 1 1 A 62 62 THR CA C 62 62.340 61.422 0.918 1
1 705 . 7 1 1 A 62 62 THR HA H 62 4.435 4.865 -0.430 1
1 706 . 7 1 1 A 62 62 THR CB C 62 71.605 71.096 0.509 1
1 712 . 7 1 1 A 62 62 THR C C 62 172.156 172.920 -0.764 1
1 713 . 7 1 1 A 63 63 VAL N N 63 128.402 127.753 0.649 1
1 714 . 7 1 1 A 63 63 VAL H H 63 8.719 8.782 -0.063 1
1 715 . 7 1 1 A 63 63 VAL CA C 63 60.707 60.866 -0.159 1
1 716 . 7 1 1 A 63 63 VAL HA H 63 4.755 4.518 0.237 1
1 717 . 7 1 1 A 63 63 VAL CB C 63 35.210 32.232 2.978 1
1 727 . 7 1 1 A 63 63 VAL C C 63 174.313 175.248 -0.935 1
1 728 . 7 1 1 A 64 64 LYS N N 64 123.629 125.194 -1.565 1
1 729 . 7 1 1 A 64 64 LYS H H 64 8.519 8.437 0.082 1
1 730 . 7 1 1 A 64 64 LYS CA C 64 54.850 54.518 0.332 1
1 731 . 7 1 1 A 64 64 LYS HA H 64 4.997 4.932 0.065 1
1 732 . 7 1 1 A 64 64 LYS CB C 64 37.343 36.230 1.113 1
1 744 . 7 1 1 A 64 64 LYS C C 64 173.348 174.839 -1.491 1
1 745 . 7 1 1 A 65 65 ILE N N 65 119.250 124.145 -4.895 1
1 746 . 7 1 1 A 65 65 ILE H H 65 8.637 8.696 -0.059 1
1 747 . 7 1 1 A 65 65 ILE CA C 65 57.894 60.055 -2.161 1
1 748 . 7 1 1 A 65 65 ILE HA H 65 4.451 4.862 -0.411 1
1 749 . 7 1 1 A 65 65 ILE CB C 65 37.638 39.949 -2.311 1
1 762 . 7 1 1 A 65 65 ILE C C 65 174.893 174.923 -0.030 1
1 763 . 7 1 1 A 66 66 ARG N N 66 130.193 127.515 2.678 1
1 764 . 7 1 1 A 66 66 ARG H H 66 9.244 9.217 0.027 1
1 765 . 7 1 1 A 66 66 ARG CA C 66 55.930 54.973 0.957 1
1 766 . 7 1 1 A 66 66 ARG HA H 66 5.440 5.050 0.390 1
1 767 . 7 1 1 A 66 66 ARG CB C 66 31.514 32.219 -0.705 1
1 778 . 7 1 1 A 66 66 ARG C C 66 174.161 174.474 -0.313 1
1 779 . 7 1 1 A 67 67 MET N N 67 128.046 127.840 0.206 1
1 780 . 7 1 1 A 67 67 MET H H 67 9.343 9.449 -0.106 1
1 781 . 7 1 1 A 67 67 MET CA C 67 54.217 53.855 0.362 1
1 782 . 7 1 1 A 67 67 MET HA H 67 5.318 5.183 0.135 1
1 783 . 7 1 1 A 67 67 MET CB C 67 37.533 35.712 1.821 1
1 793 . 7 1 1 A 67 67 MET C C 67 173.432 174.132 -0.700 1
1 794 . 7 1 1 A 68 68 THR N N 68 118.404 118.595 -0.191 1
1 795 . 7 1 1 A 68 68 THR H H 68 8.474 8.709 -0.235 1
1 796 . 7 1 1 A 68 68 THR CA C 68 58.903 59.092 -0.189 1
1 797 . 7 1 1 A 68 68 THR HA H 68 3.948 4.939 -0.991 1
1 798 . 7 1 1 A 68 68 THR CB C 68 71.091 71.476 -0.385 1
1 804 . 7 1 1 A 68 68 THR C C 68 170.783 172.803 -2.020 1
1 805 . 7 1 1 A 69 69 PHE N N 69 124.029 122.902 1.127 1
1 806 . 7 1 1 A 69 69 PHE H H 69 8.910 9.134 -0.224 1
1 807 . 7 1 1 A 69 69 PHE CA C 69 55.772 57.734 -1.962 1
1 808 . 7 1 1 A 69 69 PHE HA H 69 4.783 4.792 -0.009 1
1 809 . 7 1 1 A 69 69 PHE CB C 69 39.748 40.803 -1.055 1
1 822 . 7 1 1 A 69 69 PHE C C 69 174.951 174.951 0.000 1
1 823 . 7 1 1 A 70 70 ASP N N 70 121.457 118.973 2.484 1
1 824 . 7 1 1 A 70 70 ASP H H 70 8.841 7.320 1.521 1
1 825 . 7 1 1 A 70 70 ASP CA C 70 52.288 52.697 -0.409 1
1 826 . 7 1 1 A 70 70 ASP HA H 70 4.661 4.919 -0.258 1
1 827 . 7 1 1 A 70 70 ASP CB C 70 40.026 41.479 -1.453 1
1 830 . 7 1 1 A 70 70 ASP C C 70 177.065 175.862 1.203 1
1 831 . 7 1 1 A 71 71 THR N N 71 114.661 117.618 -2.957 1
1 832 . 7 1 1 A 71 71 THR H H 71 8.724 8.637 0.087 1
1 833 . 7 1 1 A 71 71 THR CA C 71 63.824 63.078 0.746 1
1 834 . 7 1 1 A 71 71 THR HA H 71 3.181 3.952 -0.771 1
1 835 . 7 1 1 A 71 71 THR CB C 71 66.535 66.981 -0.446 1
1 841 . 7 1 1 A 71 71 THR C C 71 173.648 173.980 -0.332 1
1 842 . 7 1 1 A 72 72 TRP N N 72 111.097 113.227 -2.130 1
1 843 . 7 1 1 A 72 72 TRP H H 72 8.854 7.961 0.893 1
1 844 . 7 1 1 A 72 72 TRP CA C 72 58.910 57.956 0.954 1
1 845 . 7 1 1 A 72 72 TRP HA H 72 3.951 4.219 -0.268 1
1 846 . 7 1 1 A 72 72 TRP CB C 72 24.332 26.498 -2.166 1
1 861 . 7 1 1 A 72 72 TRP C C 72 176.875 176.226 0.649 1
1 862 . 7 1 1 A 73 73 LYS N N 73 124.701 117.587 7.114 1
1 863 . 7 1 1 A 73 73 LYS H H 73 7.785 8.293 -0.508 1
1 864 . 7 1 1 A 73 73 LYS CA C 73 60.463 56.821 3.642 1
1 865 . 7 1 1 A 73 73 LYS HA H 73 4.174 4.552 -0.378 1
1 866 . 7 1 1 A 73 73 LYS CB C 73 31.024 35.444 -4.420 1
1 878 . 7 1 1 A 73 73 LYS C C 73 177.622 176.937 0.685 1
1 879 . 7 1 1 A 74 74 SER N N 74 117.041 112.772 4.269 1
1 880 . 7 1 1 A 74 74 SER H H 74 10.002 7.969 2.033 1
1 881 . 7 1 1 A 74 74 SER CA C 74 57.539 56.904 0.635 1
1 882 . 7 1 1 A 74 74 SER HA H 74 4.556 4.792 -0.236 1
1 883 . 7 1 1 A 74 74 SER CB C 74 66.372 63.390 2.982 1
1 886 . 7 1 1 A 74 74 SER C C 74 171.956 172.275 -0.319 1
1 887 . 7 1 1 A 75 75 TYR N N 75 113.320 124.422 -11.102 1
1 888 . 7 1 1 A 75 75 TYR H H 75 7.735 8.738 -1.003 1
1 889 . 7 1 1 A 75 75 TYR CA C 75 57.155 55.195 1.960 1
1 890 . 7 1 1 A 75 75 TYR HA H 75 5.229 5.839 -0.610 1
1 891 . 7 1 1 A 75 75 TYR CB C 75 40.745 42.284 -1.539 1
1 902 . 7 1 1 A 75 75 TYR C C 75 174.262 174.127 0.135 1
1 903 . 7 1 1 A 76 76 THR N N 76 117.158 114.318 2.840 1
1 904 . 7 1 1 A 76 76 THR H H 76 9.212 8.437 0.775 1
1 905 . 7 1 1 A 76 76 THR CA C 76 62.104 61.044 1.060 1
1 906 . 7 1 1 A 76 76 THR HA H 76 4.318 4.796 -0.478 1
1 907 . 7 1 1 A 76 76 THR CB C 76 72.675 71.602 1.073 1
1 913 . 7 1 1 A 76 76 THR C C 76 171.344 172.475 -1.131 1
1 914 . 7 1 1 A 77 77 ASP N N 77 125.875 126.316 -0.441 1
1 915 . 7 1 1 A 77 77 ASP H H 77 8.569 8.680 -0.111 1
1 916 . 7 1 1 A 77 77 ASP CA C 77 52.422 54.467 -2.045 1
1 917 . 7 1 1 A 77 77 ASP HA H 77 5.865 4.970 0.895 1
1 918 . 7 1 1 A 77 77 ASP CB C 77 41.512 41.262 0.250 1
1 921 . 7 1 1 A 77 77 ASP C C 77 175.921 174.893 1.028 1
1 922 . 7 1 1 A 78 78 PHE N N 78 125.666 124.267 1.399 1
1 923 . 7 1 1 A 78 78 PHE H H 78 9.992 8.564 1.428 1
1 924 . 7 1 1 A 78 78 PHE CA C 78 55.578 56.182 -0.604 1
1 925 . 7 1 1 A 78 78 PHE HA H 78 4.943 5.009 -0.066 1
1 926 . 7 1 1 A 78 78 PHE CB C 78 40.375 40.200 0.175 1
1 939 . 7 1 1 A 78 78 PHE C C 78 173.610 174.242 -0.632 1
1 940 . 7 1 1 A 79 79 PRO CA C 79 63.363 63.180 0.183 1
1 941 . 7 1 1 A 79 79 PRO HA H 79 4.615 4.573 0.042 1
1 942 . 7 1 1 A 79 79 PRO CB C 79 32.787 32.448 0.339 1
1 951 . 7 1 1 A 79 79 PRO C C 79 176.681 177.116 -0.435 1
1 952 . 7 1 1 A 80 80 CYS N N 80 117.289 121.752 -4.463 1
1 953 . 7 1 1 A 80 80 CYS H H 80 8.308 8.094 0.214 1
1 954 . 7 1 1 A 80 80 CYS CA C 80 57.675 59.421 -1.746 1
1 955 . 7 1 1 A 80 80 CYS HA H 80 5.242 4.884 0.358 1
1 956 . 7 1 1 A 80 80 CYS CB C 80 30.658 29.682 0.976 1
1 959 . 7 1 1 A 80 80 CYS C C 80 174.899 174.770 0.129 1
1 960 . 7 1 1 A 81 81 GLN N N 81 122.188 118.044 4.144 1
1 961 . 7 1 1 A 81 81 GLN H H 81 9.312 9.086 0.226 1
1 962 . 7 1 1 A 81 81 GLN CA C 81 54.620 53.570 1.050 1
1 963 . 7 1 1 A 81 81 GLN HA H 81 4.911 5.269 -0.358 1
1 964 . 7 1 1 A 81 81 GLN CB C 81 31.213 32.217 -1.004 1
1 973 . 7 1 1 A 81 81 GLN C C 81 175.035 173.681 1.354 1
1 974 . 7 1 1 A 82 82 TYR N N 82 125.814 122.438 3.376 1
1 975 . 7 1 1 A 82 82 TYR H H 82 8.919 8.988 -0.069 1
1 976 . 7 1 1 A 82 82 TYR CA C 82 58.764 56.712 2.052 1
1 977 . 7 1 1 A 82 82 TYR HA H 82 3.403 4.868 -1.465 1
1 978 . 7 1 1 A 82 82 TYR CB C 82 38.346 40.525 -2.179 1
1 989 . 7 1 1 A 82 82 TYR C C 82 175.413 173.920 1.493 1
1 990 . 7 1 1 A 83 83 VAL N N 83 129.316 127.108 2.208 1
1 991 . 7 1 1 A 83 83 VAL H H 83 7.782 8.350 -0.568 1
1 992 . 7 1 1 A 83 83 VAL CA C 83 61.693 62.254 -0.561 1
1 993 . 7 1 1 A 83 83 VAL HA H 83 3.758 4.420 -0.662 1
1 994 . 7 1 1 A 83 83 VAL CB C 83 32.564 31.635 0.929 1
1 1004 . 7 1 1 A 83 83 VAL C C 83 173.771 174.231 -0.460 1
1 1005 . 7 1 1 A 84 84 LYS N N 84 126.665 129.999 -3.334 1
1 1006 . 7 1 1 A 84 84 LYS H H 84 8.174 9.124 -0.950 1
1 1007 . 7 1 1 A 84 84 LYS CA C 84 56.144 55.030 1.114 1
1 1008 . 7 1 1 A 84 84 LYS HA H 84 4.016 5.004 -0.988 1
1 1009 . 7 1 1 A 84 84 LYS CB C 84 32.170 33.437 -1.267 1
1 1021 . 7 1 1 A 84 84 LYS C C 84 175.610 174.709 0.901 1
1 1022 . 7 1 1 A 85 85 ASP N N 85 124.262 125.475 -1.213 1
1 1023 . 7 1 1 A 85 85 ASP H H 85 7.864 8.359 -0.495 1
1 1024 . 7 1 1 A 85 85 ASP CA C 85 53.349 52.749 0.600 1
1 1025 . 7 1 1 A 85 85 ASP HA H 85 4.678 5.182 -0.504 1
1 1026 . 7 1 1 A 85 85 ASP CB C 85 41.683 43.677 -1.994 1
1 1029 . 7 1 1 A 85 85 ASP C C 85 176.841 176.107 0.734 1
1 1030 . 7 1 1 A 86 86 THR N N 86 113.656 119.310 -5.654 1
1 1031 . 7 1 1 A 86 86 THR H H 86 8.065 9.148 -1.083 1
1 1032 . 7 1 1 A 86 86 THR CA C 86 63.274 66.490 -3.216 1
1 1033 . 7 1 1 A 86 86 THR HA H 86 4.086 3.832 0.254 1
1 1034 . 7 1 1 A 86 86 THR CB C 86 69.257 68.561 0.696 1
1 1040 . 7 1 1 A 86 86 THR C C 86 174.589 175.577 -0.988 1
1 1041 . 7 1 1 A 87 87 TYR N N 87 120.837 117.723 3.114 1
1 1042 . 7 1 1 A 87 87 TYR H H 87 8.064 7.924 0.140 1
1 1043 . 7 1 1 A 87 87 TYR CA C 87 58.054 56.617 1.437 1
1 1044 . 7 1 1 A 87 87 TYR HA H 87 4.527 4.692 -0.165 1
1 1045 . 7 1 1 A 87 87 TYR CB C 87 38.297 36.538 1.759 1
1 1056 . 7 1 1 A 87 87 TYR C C 87 175.590 174.735 0.855 1
1 1057 . 7 1 1 A 88 88 ALA N N 88 125.226 121.863 3.363 1
1 1058 . 7 1 1 A 88 88 ALA H H 88 7.963 7.312 0.651 1
1 1059 . 7 1 1 A 88 88 ALA CA C 88 53.104 51.228 1.876 1
1 1060 . 7 1 1 A 88 88 ALA HA H 88 4.389 4.732 -0.343 1
1 1061 . 7 1 1 A 88 88 ALA CB C 88 19.127 22.859 -3.732 1
1 1065 . 7 1 1 A 88 88 ALA C C 88 178.497 176.360 2.137 1
1 1066 . 7 1 1 A 89 89 GLY N N 89 109.029 109.606 -0.577 1
1 1067 . 7 1 1 A 89 89 GLY H H 89 8.479 8.502 -0.023 1
1 1068 . 7 1 1 A 89 89 GLY CA C 89 45.426 45.602 -0.176 1
1 1069 . 7 1 1 A 89 89 GLY HA2 H 89 3.952 4.025 -0.073 1
1 1070 . 7 1 1 A 89 89 GLY HA3 H 89 4.079 4.040 0.039 1
1 1071 . 7 1 1 A 89 89 GLY C C 89 174.563 175.275 -0.712 1
1 1072 . 7 1 1 A 90 90 SER N N 90 115.638 117.136 -1.498 1
1 1073 . 7 1 1 A 90 90 SER H H 90 8.232 8.980 -0.748 1
1 1074 . 7 1 1 A 90 90 SER CA C 90 58.443 60.327 -1.884 1
1 1075 . 7 1 1 A 90 90 SER HA H 90 4.574 4.366 0.208 1
1 1076 . 7 1 1 A 90 90 SER CB C 90 63.865 63.774 0.091 1
1 1079 . 7 1 1 A 90 90 SER C C 90 174.212 176.575 -2.363 1
1 1080 . 7 1 1 A 91 91 ASP N N 91 120.185 121.608 -1.423 1
1 1081 . 7 1 1 A 91 91 ASP H H 91 8.691 8.136 0.555 1
1 1082 . 7 1 1 A 91 91 ASP CA C 91 55.012 56.467 -1.455 1
1 1083 . 7 1 1 A 91 91 ASP HA H 91 4.684 4.549 0.135 1
1 1084 . 7 1 1 A 91 91 ASP CB C 91 40.643 40.922 -0.279 1
1 1087 . 7 1 1 A 91 91 ASP C C 91 176.350 177.349 -0.999 1
1 1088 . 7 1 1 A 92 92 ARG N N 92 119.690 118.584 1.106 1
1 1089 . 7 1 1 A 92 92 ARG H H 92 8.072 7.833 0.239 1
1 1090 . 7 1 1 A 92 92 ARG CA C 92 54.941 56.338 -1.397 1
1 1091 . 7 1 1 A 92 92 ARG HA H 92 5.022 4.318 0.704 1
1 1092 . 7 1 1 A 92 92 ARG CB C 92 32.816 30.677 2.139 1
1 1101 . 7 1 1 A 92 92 ARG C C 92 174.072 175.804 -1.732 1
1 1102 . 7 1 1 A 93 93 ASP N N 93 119.716 125.523 -5.807 1
1 1103 . 7 1 1 A 93 93 ASP H H 93 8.550 8.737 -0.187 1
1 1104 . 7 1 1 A 93 93 ASP CA C 93 53.411 53.707 -0.296 1
1 1105 . 7 1 1 A 93 93 ASP HA H 93 5.108 4.533 0.575 1
1 1106 . 7 1 1 A 93 93 ASP CB C 93 46.005 40.966 5.039 1
1 1109 . 7 1 1 A 93 93 ASP C C 93 174.776 174.134 0.642 1
1 1110 . 7 1 1 A 94 94 THR N N 94 116.481 121.252 -4.771 1
1 1111 . 7 1 1 A 94 94 THR H H 94 8.932 8.282 0.650 1
1 1112 . 7 1 1 A 94 94 THR CA C 94 62.287 61.559 0.728 1
1 1113 . 7 1 1 A 94 94 THR HA H 94 5.232 4.663 0.569 1
1 1114 . 7 1 1 A 94 94 THR CB C 94 70.008 68.866 1.142 1
1 1120 . 7 1 1 A 94 94 THR C C 94 171.982 173.664 -1.682 1
1 1121 . 7 1 1 A 95 95 PHE N N 95 124.488 127.270 -2.782 1
1 1122 . 7 1 1 A 95 95 PHE H H 95 9.347 8.914 0.433 1
1 1123 . 7 1 1 A 95 95 PHE CA C 95 55.834 57.418 -1.584 1
1 1124 . 7 1 1 A 95 95 PHE HA H 95 5.321 5.085 0.236 1
1 1125 . 7 1 1 A 95 95 PHE CB C 95 43.478 41.108 2.370 1
1 1138 . 7 1 1 A 95 95 PHE C C 95 174.780 175.375 -0.595 1
1 1139 . 7 1 1 A 96 96 SER N N 96 117.417 115.277 2.140 1
1 1140 . 7 1 1 A 96 96 SER H H 96 10.108 8.827 1.281 1
1 1141 . 7 1 1 A 96 96 SER CA C 96 56.388 55.688 0.700 1
1 1142 . 7 1 1 A 96 96 SER HA H 96 5.575 5.494 0.081 1
1 1143 . 7 1 1 A 96 96 SER CB C 96 67.188 66.270 0.918 1
1 1146 . 7 1 1 A 96 96 SER C C 96 173.079 174.121 -1.042 1
1 1147 . 7 1 1 A 97 97 PHE N N 97 114.813 117.503 -2.690 1
1 1148 . 7 1 1 A 97 97 PHE H H 97 7.991 8.771 -0.780 1
1 1149 . 7 1 1 A 97 97 PHE CA C 97 56.003 55.288 0.715 1
1 1150 . 7 1 1 A 97 97 PHE HA H 97 5.249 5.683 -0.434 1
1 1151 . 7 1 1 A 97 97 PHE CB C 97 42.008 42.765 -0.757 1
1 1164 . 7 1 1 A 97 97 PHE C C 97 174.316 173.038 1.278 1
1 1165 . 7 1 1 A 98 98 ASP N N 98 121.809 119.332 2.477 1
1 1166 . 7 1 1 A 98 98 ASP H H 98 8.297 9.052 -0.755 1
1 1167 . 7 1 1 A 98 98 ASP CA C 98 54.789 52.812 1.977 1
1 1168 . 7 1 1 A 98 98 ASP HA H 98 5.006 5.468 -0.462 1
1 1169 . 7 1 1 A 98 98 ASP CB C 98 42.282 42.296 -0.014 1
1 1172 . 7 1 1 A 98 98 ASP C C 98 174.959 174.425 0.534 1
1 1173 . 7 1 1 A 99 99 ILE N N 99 126.714 126.170 0.544 1
1 1174 . 7 1 1 A 99 99 ILE H H 99 9.331 8.904 0.427 1
1 1175 . 7 1 1 A 99 99 ILE CA C 99 60.455 60.138 0.317 1
1 1176 . 7 1 1 A 99 99 ILE HA H 99 4.016 4.510 -0.494 1
1 1177 . 7 1 1 A 99 99 ILE CB C 99 42.110 39.814 2.296 1
1 1190 . 7 1 1 A 99 99 ILE C C 99 175.019 175.373 -0.354 1
1 1191 . 7 1 1 A 100 100 SER N N 100 122.590 120.875 1.715 1
1 1192 . 7 1 1 A 100 100 SER H H 100 8.345 8.572 -0.227 1
1 1193 . 7 1 1 A 100 100 SER CA C 100 58.848 56.505 2.343 1
1 1194 . 7 1 1 A 100 100 SER HA H 100 4.527 5.207 -0.680 1
1 1195 . 7 1 1 A 100 100 SER CB C 100 63.482 64.357 -0.875 1
1 1198 . 7 1 1 A 100 100 SER C C 100 173.557 174.388 -0.831 1
1 1199 . 7 1 1 A 101 101 LEU N N 101 124.776 126.034 -1.258 1
1 1200 . 7 1 1 A 101 101 LEU H H 101 8.277 8.829 -0.552 1
1 1201 . 7 1 1 A 101 101 LEU CA C 101 52.430 53.556 -1.126 1
1 1202 . 7 1 1 A 101 101 LEU HA H 101 4.375 4.572 -0.197 1
1 1203 . 7 1 1 A 101 101 LEU CB C 101 40.427 40.929 -0.502 1
1 1216 . 7 1 1 A 101 101 LEU C C 101 174.363 174.527 -0.164 1
1 1217 . 7 1 1 A 102 102 PRO CA C 102 62.488 62.338 0.150 1
1 1218 . 7 1 1 A 102 102 PRO HA H 102 4.259 4.407 -0.148 1
1 1219 . 7 1 1 A 102 102 PRO CB C 102 32.073 32.263 -0.190 1
1 1228 . 7 1 1 A 102 102 PRO C C 102 175.687 177.800 -2.113 1
1 1229 . 7 1 1 A 103 103 GLU N N 103 118.843 121.131 -2.288 1
1 1230 . 7 1 1 A 103 103 GLU H H 103 8.286 8.652 -0.366 1
1 1231 . 7 1 1 A 103 103 GLU CA C 103 58.131 58.865 -0.734 1
1 1232 . 7 1 1 A 103 103 GLU HA H 103 4.013 4.112 -0.099 1
1 1233 . 7 1 1 A 103 103 GLU CB C 103 30.344 29.122 1.222 1
1 1239 . 7 1 1 A 103 103 GLU C C 103 176.869 176.238 0.631 1
1 1240 . 7 1 1 A 104 104 LYS N N 104 116.544 118.002 -1.458 1
1 1241 . 7 1 1 A 104 104 LYS H H 104 7.869 7.613 0.256 1
1 1242 . 7 1 1 A 104 104 LYS CA C 104 55.314 54.974 0.340 1
1 1243 . 7 1 1 A 104 104 LYS HA H 104 4.474 5.007 -0.533 1
1 1244 . 7 1 1 A 104 104 LYS CB C 104 33.428 37.146 -3.718 1
1 1256 . 7 1 1 A 104 104 LYS C C 104 175.231 174.955 0.276 1
1 1257 . 7 1 1 A 105 105 ILE N N 105 122.507 121.276 1.231 1
1 1258 . 7 1 1 A 105 105 ILE H H 105 8.236 8.556 -0.320 1
1 1259 . 7 1 1 A 105 105 ILE CA C 105 60.636 60.821 -0.185 1
1 1260 . 7 1 1 A 105 105 ILE HA H 105 4.190 4.822 -0.632 1
1 1261 . 7 1 1 A 105 105 ILE CB C 105 39.685 41.124 -1.439 1
1 1274 . 7 1 1 A 105 105 ILE C C 105 176.091 174.716 1.375 1
1 1275 . 7 1 1 A 106 106 GLN N N 106 124.467 127.950 -3.483 1
1 1276 . 7 1 1 A 106 106 GLN H H 106 8.752 9.272 -0.520 1
1 1277 . 7 1 1 A 106 106 GLN CA C 106 56.244 54.288 1.956 1
1 1278 . 7 1 1 A 106 106 GLN HA H 106 4.243 4.778 -0.535 1
1 1279 . 7 1 1 A 106 106 GLN CB C 106 28.717 31.193 -2.476 1
1 1288 . 7 1 1 A 106 106 GLN C C 106 177.593 177.261 0.332 1
1 1289 . 7 1 1 A 107 107 SER N N 107 116.963 118.686 -1.723 1
1 1290 . 7 1 1 A 107 107 SER H H 107 8.623 9.058 -0.435 1
1 1291 . 7 1 1 A 107 107 SER CA C 107 60.530 61.253 -0.723 1
1 1292 . 7 1 1 A 107 107 SER HA H 107 4.152 4.399 -0.247 1
1 1293 . 7 1 1 A 107 107 SER CB C 107 63.187 63.081 0.106 1
1 1296 . 7 1 1 A 107 107 SER C C 107 174.222 176.599 -2.377 1
1 1297 . 7 1 1 A 108 108 TYR N N 108 116.323 119.226 -2.903 1
1 1298 . 7 1 1 A 108 108 TYR H H 108 7.330 8.372 -1.042 1
1 1299 . 7 1 1 A 108 108 TYR CA C 108 56.727 60.937 -4.210 1
1 1300 . 7 1 1 A 108 108 TYR HA H 108 4.655 4.354 0.301 1
1 1301 . 7 1 1 A 108 108 TYR CB C 108 37.491 37.561 -0.070 1
1 1312 . 7 1 1 A 108 108 TYR C C 108 175.768 175.784 -0.016 1
1 1313 . 7 1 1 A 109 109 GLU N N 109 120.523 117.894 2.629 1
1 1314 . 7 1 1 A 109 109 GLU H H 109 7.587 7.401 0.186 1
1 1315 . 7 1 1 A 109 109 GLU CA C 109 55.573 54.178 1.395 1
1 1316 . 7 1 1 A 109 109 GLU HA H 109 4.582 4.503 0.079 1
1 1317 . 7 1 1 A 109 109 GLU CB C 109 31.360 32.119 -0.759 1
1 1323 . 7 1 1 A 109 109 GLU C C 109 176.013 174.841 1.172 1
1 1324 . 7 1 1 A 110 110 ARG N N 110 118.559 124.437 -5.878 1
1 1325 . 7 1 1 A 110 110 ARG H H 110 8.441 8.014 0.427 1
1 1326 . 7 1 1 A 110 110 ARG CA C 110 55.667 56.006 -0.339 1
1 1327 . 7 1 1 A 110 110 ARG HA H 110 4.786 4.467 0.319 1
1 1328 . 7 1 1 A 110 110 ARG CB C 110 32.404 31.089 1.315 1
1 1339 . 7 1 1 A 110 110 ARG C C 110 174.387 174.707 -0.320 1
1 1340 . 7 1 1 A 111 111 MET N N 111 122.471 122.943 -0.472 1
1 1341 . 7 1 1 A 111 111 MET H H 111 8.665 8.682 -0.017 1
1 1342 . 7 1 1 A 111 111 MET CA C 111 54.151 54.414 -0.263 1
1 1343 . 7 1 1 A 111 111 MET HA H 111 5.167 4.765 0.402 1
1 1344 . 7 1 1 A 111 111 MET CB C 111 35.735 35.596 0.139 1
1 1354 . 7 1 1 A 111 111 MET C C 111 174.924 174.230 0.694 1
1 1355 . 7 1 1 A 112 112 GLU N N 112 119.500 125.470 -5.970 1
1 1356 . 7 1 1 A 112 112 GLU H H 112 7.951 8.499 -0.548 1
1 1357 . 7 1 1 A 112 112 GLU CA C 112 53.909 54.587 -0.678 1
1 1358 . 7 1 1 A 112 112 GLU HA H 112 5.662 4.885 0.777 1
1 1359 . 7 1 1 A 112 112 GLU CB C 112 35.198 34.285 0.913 1
1 1365 . 7 1 1 A 112 112 GLU C C 112 174.483 174.800 -0.317 1
1 1366 . 7 1 1 A 113 113 PHE N N 113 115.033 117.444 -2.411 1
1 1367 . 7 1 1 A 113 113 PHE H H 113 9.278 8.853 0.425 1
1 1368 . 7 1 1 A 113 113 PHE CA C 113 55.857 56.405 -0.548 1
1 1369 . 7 1 1 A 113 113 PHE HA H 113 6.262 5.336 0.926 1
1 1370 . 7 1 1 A 113 113 PHE CB C 113 43.656 42.248 1.408 1
1 1383 . 7 1 1 A 113 113 PHE C C 113 172.253 172.622 -0.369 1
1 1384 . 7 1 1 A 114 114 ALA N N 114 121.461 122.313 -0.852 1
1 1385 . 7 1 1 A 114 114 ALA H H 114 9.475 9.296 0.179 1
1 1386 . 7 1 1 A 114 114 ALA CA C 114 50.860 50.241 0.619 1
1 1387 . 7 1 1 A 114 114 ALA HA H 114 5.026 5.509 -0.483 1
1 1388 . 7 1 1 A 114 114 ALA CB C 114 23.129 23.752 -0.623 1
1 1392 . 7 1 1 A 114 114 ALA C C 114 174.903 176.056 -1.153 1
1 1393 . 7 1 1 A 115 115 VAL N N 115 120.899 119.685 1.214 1
1 1394 . 7 1 1 A 115 115 VAL H H 115 8.928 8.501 0.427 1
1 1395 . 7 1 1 A 115 115 VAL CA C 115 61.379 61.803 -0.424 1
1 1396 . 7 1 1 A 115 115 VAL HA H 115 4.798 4.722 0.076 1
1 1397 . 7 1 1 A 115 115 VAL CB C 115 34.712 33.053 1.659 1
1 1407 . 7 1 1 A 115 115 VAL C C 115 174.444 174.278 0.166 1
1 1408 . 7 1 1 A 116 116 TYR N N 116 123.426 128.085 -4.659 1
1 1409 . 7 1 1 A 116 116 TYR H H 116 8.963 8.531 0.432 1
1 1410 . 7 1 1 A 116 116 TYR CA C 116 55.480 54.107 1.373 1
1 1411 . 7 1 1 A 116 116 TYR HA H 116 5.081 4.564 0.517 1
1 1412 . 7 1 1 A 116 116 TYR CB C 116 38.928 39.905 -0.977 1
1 1423 . 7 1 1 A 116 116 TYR C C 116 172.208 172.819 -0.611 1
1 1424 . 7 1 1 A 117 117 TYR N N 117 123.249 130.275 -7.026 1
1 1425 . 7 1 1 A 117 117 TYR H H 117 8.858 9.086 -0.228 1
1 1426 . 7 1 1 A 117 117 TYR CA C 117 52.371 56.644 -4.273 1
1 1427 . 7 1 1 A 117 117 TYR HA H 117 5.528 4.890 0.638 1
1 1428 . 7 1 1 A 117 117 TYR CB C 117 41.509 41.519 -0.010 1
1 1439 . 7 1 1 A 117 117 TYR C C 117 173.159 173.835 -0.676 1
1 1440 . 7 1 1 A 118 118 GLU N N 118 127.681 126.924 0.757 1
1 1441 . 7 1 1 A 118 118 GLU H H 118 9.368 8.713 0.655 1
1 1442 . 7 1 1 A 118 118 GLU CA C 118 54.179 54.455 -0.276 1
1 1443 . 7 1 1 A 118 118 GLU HA H 118 5.085 5.136 -0.051 1
1 1444 . 7 1 1 A 118 118 GLU CB C 118 32.099 32.946 -0.847 1
1 1450 . 7 1 1 A 118 118 GLU C C 118 175.565 174.663 0.902 1
1 1451 . 7 1 1 A 119 119 CYS N N 119 122.152 122.516 -0.364 1
1 1452 . 7 1 1 A 119 119 CYS H H 119 8.323 8.133 0.190 1
1 1453 . 7 1 1 A 119 119 CYS CA C 119 58.248 58.936 -0.688 1
1 1454 . 7 1 1 A 119 119 CYS HA H 119 4.479 4.568 -0.089 1
1 1455 . 7 1 1 A 119 119 CYS CB C 119 29.065 30.268 -1.203 1
1 1458 . 7 1 1 A 119 119 CYS C C 119 174.586 173.161 1.425 1
1 1459 . 7 1 1 A 120 120 ASN N N 120 126.917 125.754 1.163 1
1 1460 . 7 1 1 A 120 120 ASN H H 120 9.858 9.257 0.601 1
1 1461 . 7 1 1 A 120 120 ASN CA C 120 53.735 54.483 -0.748 1
1 1462 . 7 1 1 A 120 120 ASN HA H 120 4.342 4.457 -0.115 1
1 1463 . 7 1 1 A 120 120 ASN CB C 120 37.873 37.369 0.504 1
1 1469 . 7 1 1 A 120 120 ASN C C 120 174.943 175.480 -0.537 1
1 1470 . 7 1 1 A 121 121 GLY N N 121 104.866 103.737 1.129 1
1 1471 . 7 1 1 A 121 121 GLY H H 121 8.776 8.605 0.171 1
1 1472 . 7 1 1 A 121 121 GLY CA C 121 45.586 46.361 -0.775 1
1 1473 . 7 1 1 A 121 121 GLY HA2 H 121 4.041 3.844 0.197 1
1 1474 . 7 1 1 A 121 121 GLY HA3 H 121 3.553 3.854 -0.301 1
1 1475 . 7 1 1 A 121 121 GLY C C 121 173.804 173.691 0.113 1
1 1476 . 7 1 1 A 122 122 GLN N N 122 119.988 118.469 1.519 1
1 1477 . 7 1 1 A 122 122 GLN H H 122 7.677 7.731 -0.054 1
1 1478 . 7 1 1 A 122 122 GLN CA C 122 53.624 53.496 0.128 1
1 1479 . 7 1 1 A 122 122 GLN HA H 122 4.395 4.779 -0.384 1
1 1480 . 7 1 1 A 122 122 GLN CB C 122 31.456 32.375 -0.919 1
1 1489 . 7 1 1 A 122 122 GLN C C 122 174.029 174.289 -0.260 1
1 1490 . 7 1 1 A 123 123 THR N N 123 116.337 116.007 0.330 1
1 1491 . 7 1 1 A 123 123 THR H H 123 7.990 8.525 -0.535 1
1 1492 . 7 1 1 A 123 123 THR CA C 123 61.935 61.433 0.502 1
1 1493 . 7 1 1 A 123 123 THR HA H 123 4.620 4.693 -0.073 1
1 1494 . 7 1 1 A 123 123 THR CB C 123 70.005 70.584 -0.579 1
1 1500 . 7 1 1 A 123 123 THR C C 123 172.596 172.935 -0.339 1
1 1501 . 7 1 1 A 124 124 TYR N N 124 128.915 126.524 2.391 1
1 1502 . 7 1 1 A 124 124 TYR H H 124 9.416 8.916 0.500 1
1 1503 . 7 1 1 A 124 124 TYR CA C 124 56.388 56.816 -0.428 1
1 1504 . 7 1 1 A 124 124 TYR HA H 124 4.962 5.034 -0.072 1
1 1505 . 7 1 1 A 124 124 TYR CB C 124 40.688 39.613 1.075 1
1 1516 . 7 1 1 A 124 124 TYR C C 124 174.284 175.230 -0.946 1
1 1517 . 7 1 1 A 125 125 TRP N N 125 119.850 123.587 -3.737 1
1 1518 . 7 1 1 A 125 125 TRP H H 125 8.738 9.153 -0.415 1
1 1519 . 7 1 1 A 125 125 TRP CA C 125 56.940 55.538 1.402 1
1 1520 . 7 1 1 A 125 125 TRP HA H 125 5.388 5.417 -0.029 1
1 1521 . 7 1 1 A 125 125 TRP CB C 125 33.031 31.922 1.109 1
1 1536 . 7 1 1 A 125 125 TRP C C 125 176.973 174.658 2.315 1
1 1537 . 7 1 1 A 126 126 ASP N N 126 118.759 125.977 -7.218 1
1 1538 . 7 1 1 A 126 126 ASP H H 126 9.436 9.040 0.396 1
1 1539 . 7 1 1 A 126 126 ASP CA C 126 53.968 52.469 1.499 1
1 1540 . 7 1 1 A 126 126 ASP HA H 126 5.213 5.248 -0.035 1
1 1541 . 7 1 1 A 126 126 ASP CB C 126 42.641 41.943 0.698 1
1 1544 . 7 1 1 A 126 126 ASP C C 126 176.043 174.677 1.366 1
1 1545 . 7 1 1 A 127 127 SER N N 127 119.074 120.494 -1.420 1
1 1546 . 7 1 1 A 127 127 SER H H 127 8.520 8.722 -0.202 1
1 1547 . 7 1 1 A 127 127 SER CA C 127 55.118 56.929 -1.811 1
1 1548 . 7 1 1 A 127 127 SER HA H 127 4.811 4.793 0.018 1
1 1549 . 7 1 1 A 127 127 SER CB C 127 63.866 63.287 0.579 1
1 1552 . 7 1 1 A 127 127 SER C C 127 175.840 174.416 1.424 1
1 1553 . 7 1 1 A 128 128 ASN N N 128 124.865 118.328 6.537 1
1 1554 . 7 1 1 A 128 128 ASN H H 128 9.242 8.737 0.505 1
1 1555 . 7 1 1 A 128 128 ASN CA C 128 53.224 53.128 0.096 1
1 1556 . 7 1 1 A 128 128 ASN HA H 128 4.071 2.869 1.202 1
1 1557 . 7 1 1 A 128 128 ASN CB C 128 34.281 36.206 -1.925 1
1 1563 . 7 1 1 A 128 128 ASN C C 128 176.607 174.157 2.450 1
1 1564 . 7 1 1 A 129 129 ARG N N 129 114.718 117.919 -3.201 1
1 1565 . 7 1 1 A 129 129 ARG H H 129 9.475 7.735 1.740 1
1 1566 . 7 1 1 A 129 129 ARG CA C 129 56.798 56.809 -0.011 1
1 1567 . 7 1 1 A 129 129 ARG HA H 129 3.774 3.929 -0.155 1
1 1568 . 7 1 1 A 129 129 ARG CB C 129 27.145 28.067 -0.922 1
1 1579 . 7 1 1 A 129 129 ARG C C 129 176.132 174.705 1.427 1
1 1580 . 7 1 1 A 130 130 GLY N N 130 106.337 107.388 -1.051 1
1 1581 . 7 1 1 A 130 130 GLY H H 130 7.568 7.744 -0.176 1
1 1582 . 7 1 1 A 130 130 GLY CA C 130 44.896 46.033 -1.137 1
1 1583 . 7 1 1 A 130 130 GLY HA2 H 130 4.103 4.048 0.055 1
1 1584 . 7 1 1 A 130 130 GLY HA3 H 130 3.425 4.070 -0.645 1
1 1585 . 7 1 1 A 130 130 GLY C C 130 174.521 173.952 0.569 1
1 1586 . 7 1 1 A 131 131 LYS N N 131 119.902 123.942 -4.040 1
1 1587 . 7 1 1 A 131 131 LYS H H 131 7.278 8.232 -0.954 1
1 1588 . 7 1 1 A 131 131 LYS CA C 131 57.336 57.542 -0.206 1
1 1589 . 7 1 1 A 131 131 LYS HA H 131 4.132 4.256 -0.124 1
1 1590 . 7 1 1 A 131 131 LYS CB C 131 33.719 33.279 0.440 1
1 1602 . 7 1 1 A 131 131 LYS C C 131 177.813 176.372 1.441 1
1 1603 . 7 1 1 A 132 132 ASN N N 132 107.489 112.200 -4.711 1
1 1604 . 7 1 1 A 132 132 ASN H H 132 8.268 7.651 0.617 1
1 1605 . 7 1 1 A 132 132 ASN CA C 132 54.717 52.025 2.692 1
1 1606 . 7 1 1 A 132 132 ASN HA H 132 3.691 4.697 -1.006 1
1 1607 . 7 1 1 A 132 132 ASN CB C 132 39.462 40.755 -1.293 1
1 1613 . 7 1 1 A 132 132 ASN C C 132 172.611 172.438 0.173 1
1 1614 . 7 1 1 A 133 133 TYR N N 133 120.541 120.054 0.487 1
1 1615 . 7 1 1 A 133 133 TYR H H 133 8.696 8.381 0.315 1
1 1616 . 7 1 1 A 133 133 TYR CA C 133 58.334 57.027 1.307 1
1 1617 . 7 1 1 A 133 133 TYR HA H 133 3.879 4.081 -0.202 1
1 1618 . 7 1 1 A 133 133 TYR CB C 133 35.955 36.778 -0.823 1
1 1627 . 7 1 1 A 133 133 TYR C C 133 175.026 175.304 -0.278 1
1 1628 . 7 1 1 A 134 134 ARG N N 134 123.205 125.870 -2.665 1
1 1629 . 7 1 1 A 134 134 ARG H H 134 8.584 8.527 0.057 1
1 1630 . 7 1 1 A 134 134 ARG CA C 134 56.025 56.754 -0.729 1
1 1631 . 7 1 1 A 134 134 ARG HA H 134 5.043 4.669 0.374 1
1 1632 . 7 1 1 A 134 134 ARG CB C 134 32.734 30.586 2.148 1
1 1643 . 7 1 1 A 134 134 ARG C C 134 174.511 175.499 -0.988 1
1 1644 . 7 1 1 A 135 135 ILE N N 135 124.430 129.307 -4.877 1
1 1645 . 7 1 1 A 135 135 ILE H H 135 8.429 8.607 -0.178 1
1 1646 . 7 1 1 A 135 135 ILE CA C 135 61.078 59.876 1.202 1
1 1647 . 7 1 1 A 135 135 ILE HA H 135 4.797 4.913 -0.116 1
1 1648 . 7 1 1 A 135 135 ILE CB C 135 39.875 38.379 1.496 1
1 1661 . 7 1 1 A 135 135 ILE C C 135 175.279 175.880 -0.601 1
1 1662 . 7 1 1 A 136 136 ILE N N 136 120.496 123.147 -2.651 1
1 1663 . 7 1 1 A 136 136 ILE H H 136 9.000 8.998 0.002 1
1 1664 . 7 1 1 A 136 136 ILE CA C 136 59.359 59.151 0.208 1
1 1665 . 7 1 1 A 136 136 ILE HA H 136 5.028 5.251 -0.223 1
1 1666 . 7 1 1 A 136 136 ILE CB C 136 42.170 41.072 1.098 1
1 1679 . 7 1 1 A 136 136 ILE C C 136 175.144 175.479 -0.335 1
1 1680 . 7 1 1 A 137 137 ARG N N 137 122.183 123.936 -1.753 1
1 1681 . 7 1 1 A 137 137 ARG H H 137 8.535 8.560 -0.025 1
1 1682 . 7 1 1 A 137 137 ARG CA C 137 56.339 56.039 0.300 1
1 1683 . 7 1 1 A 137 137 ARG HA H 137 4.402 3.953 0.449 1
1 1684 . 7 1 1 A 137 137 ARG CB C 137 30.696 30.879 -0.183 1
1 1695 . 7 1 1 A 137 137 ARG C C 137 176.646 177.351 -0.705 1
1 1696 . 7 1 1 A 138 138 ALA N N 138 126.694 127.476 -0.782 1
1 1697 . 7 1 1 A 138 138 ALA H H 138 8.353 8.708 -0.355 1
1 1698 . 7 1 1 A 138 138 ALA CA C 138 52.808 54.788 -1.980 1
1 1699 . 7 1 1 A 138 138 ALA HA H 138 4.134 3.958 0.176 1
1 1700 . 7 1 1 A 138 138 ALA CB C 138 19.536 18.194 1.342 1
1 1704 . 7 1 1 A 138 138 ALA C C 138 177.637 179.135 -1.498 1
1 1705 . 7 1 1 A 139 139 GLU N N 139 119.890 116.221 3.669 1
1 1706 . 7 1 1 A 139 139 GLU H H 139 8.615 8.092 0.523 1
1 1707 . 7 1 1 A 139 139 GLU CA C 139 56.586 58.850 -2.264 1
1 1708 . 7 1 1 A 139 139 GLU HA H 139 4.268 4.098 0.170 1
1 1709 . 7 1 1 A 139 139 GLU CB C 139 30.137 28.765 1.372 1
1 1715 . 7 1 1 A 139 139 GLU C C 139 176.488 178.645 -2.157 1
1 1716 . 7 1 1 A 140 140 LEU N N 140 123.350 118.878 4.472 1
1 1717 . 7 1 1 A 140 140 LEU H H 140 8.224 7.669 0.555 1
1 1718 . 7 1 1 A 140 140 LEU CA C 140 55.185 57.611 -2.426 1
1 1719 . 7 1 1 A 140 140 LEU HA H 140 4.339 4.109 0.230 1
1 1720 . 7 1 1 A 140 140 LEU CB C 140 42.294 41.785 0.509 1
1 1733 . 7 1 1 A 140 140 LEU C C 140 177.456 177.710 -0.254 1
1 1734 . 7 1 1 A 141 141 LYS N N 141 122.155 120.203 1.952 1
1 1735 . 7 1 1 A 141 141 LYS H H 141 8.239 7.275 0.964 1
1 1736 . 7 1 1 A 141 141 LYS CA C 141 56.480 57.368 -0.888 1
1 1737 . 7 1 1 A 141 141 LYS HA H 141 4.309 4.172 0.137 1
1 1738 . 7 1 1 A 141 141 LYS CB C 141 32.976 32.809 0.167 1
1 1750 . 7 1 1 A 141 141 LYS C C 141 176.734 175.541 1.193 1
1 1751 . 7 1 1 A 142 142 SER N N 142 116.816 121.507 -4.691 1
1 1752 . 7 1 1 A 142 142 SER H H 142 8.369 8.710 -0.341 1
1 1753 . 7 1 1 A 142 142 SER CA C 142 58.425 56.784 1.641 1
1 1754 . 7 1 1 A 142 142 SER HA H 142 4.529 5.125 -0.596 1
1 1755 . 7 1 1 A 142 142 SER CB C 142 63.836 65.895 -2.059 1
1 1758 . 7 1 1 A 142 142 SER C C 142 175.185 173.309 1.876 1
1 1759 . 7 1 1 A 143 143 THR N N 143 115.566 116.422 -0.856 1
1 1760 . 7 1 1 A 143 143 THR H H 143 8.235 8.605 -0.370 1
1 1761 . 7 1 1 A 143 143 THR CA C 143 61.999 62.332 -0.333 1
1 1762 . 7 1 1 A 143 143 THR HA H 143 4.389 4.416 -0.027 1
1 1763 . 7 1 1 A 143 143 THR CB C 143 69.634 69.902 -0.268 1
1 1769 . 7 1 1 A 143 143 THR C C 143 174.937 174.541 0.396 1
1 1770 . 7 1 1 A 144 144 GLN N N 144 122.469 123.826 -1.357 1
1 1771 . 7 1 1 A 144 144 GLN H H 144 8.345 9.099 -0.754 1
1 1772 . 7 1 1 A 144 144 GLN CA C 144 56.480 56.995 -0.515 1
1 1773 . 7 1 1 A 144 144 GLN HA H 144 4.307 4.477 -0.170 1
1 1774 . 7 1 1 A 144 144 GLN CB C 144 29.307 31.238 -1.931 1
1 1783 . 7 1 1 A 144 144 GLN C C 144 176.536 175.879 0.657 1
1 1784 . 7 1 1 A 145 145 GLY N N 145 110.021 106.736 3.285 1
1 1785 . 7 1 1 A 145 145 GLY H H 145 8.461 7.619 0.842 1
1 1786 . 7 1 1 A 145 145 GLY CA C 145 45.355 43.897 1.458 1
1 1787 . 7 1 1 A 145 145 GLY HA2 H 145 3.967 4.060 -0.093 1
1 1788 . 7 1 1 A 145 145 GLY HA3 H 145 3.967 4.060 -0.093 1
1 1789 . 7 1 1 A 145 145 GLY C C 145 174.123 173.629 0.494 1
1 1790 . 7 1 1 A 146 146 MET N N 146 119.836 118.013 1.823 1
1 1791 . 7 1 1 A 146 146 MET H H 146 8.197 8.753 -0.556 1
1 1792 . 7 1 1 A 146 146 MET CA C 146 55.594 56.366 -0.772 1
1 1793 . 7 1 1 A 146 146 MET HA H 146 4.538 4.020 0.518 1
1 1794 . 7 1 1 A 146 146 MET CB C 146 33.090 31.068 2.022 1
1 1804 . 7 1 1 A 146 146 MET C C 146 176.454 175.222 1.232 1
1 1805 . 7 1 1 A 147 147 THR N N 147 116.248 113.066 3.182 1
1 1806 . 7 1 1 A 147 147 THR H H 147 8.239 7.881 0.358 1
1 1807 . 7 1 1 A 147 147 THR CA C 147 61.959 63.413 -1.454 1
1 1808 . 7 1 1 A 147 147 THR HA H 147 4.318 4.157 0.161 1
1 1809 . 7 1 1 A 147 147 THR CB C 147 69.875 69.523 0.352 1
1 1815 . 7 1 1 A 147 147 THR C C 147 174.141 173.859 0.282 1
1 1816 . 7 1 1 A 148 148 LYS N N 148 125.399 127.865 -2.466 1
1 1817 . 7 1 1 A 148 148 LYS H H 148 8.387 8.354 0.033 1
1 1818 . 7 1 1 A 148 148 LYS CA C 148 54.186 53.343 0.843 1
1 1819 . 7 1 1 A 148 148 LYS HA H 148 4.617 4.625 -0.008 1
1 1820 . 7 1 1 A 148 148 LYS CB C 148 32.651 35.464 -2.813 1
1 1832 . 7 1 1 A 148 148 LYS C C 148 174.388 174.202 0.186 1
1 1833 . 7 1 1 A 149 149 PRO CA C 149 63.178 62.495 0.683 1
1 1834 . 7 1 1 A 149 149 PRO HA H 149 4.406 4.790 -0.384 1
1 1835 . 7 1 1 A 149 149 PRO CB C 149 32.164 32.791 -0.627 1
1 1844 . 7 1 1 A 150 150 HIS CA C 150 56.264 54.269 1.995 1
1 1845 . 7 1 1 A 150 150 HIS HA H 150 4.626 5.119 -0.493 1
1 1846 . 7 1 1 A 150 150 HIS CB C 150 30.574 31.499 -0.925 1
1 1852 . 7 1 1 A 151 151 SER CA C 151 58.018 58.038 -0.020 1
1 1853 . 7 1 1 A 151 151 SER HA H 151 4.475 4.486 -0.011 1
1 1854 . 7 1 1 A 151 151 SER CB C 151 64.139 64.064 0.075 1
1 1856 . 7 1 1 A 151 151 SER C C 151 174.253 174.722 -0.469 1
1 1857 . 7 1 1 A 152 152 GLY N N 152 110.964 108.638 2.326 1
1 1858 . 7 1 1 A 152 152 GLY H H 152 8.276 8.570 -0.294 1
1 1859 . 7 1 1 A 152 152 GLY CA C 152 44.637 45.012 -0.375 1
1 1860 . 7 1 1 A 152 152 GLY HA2 H 152 4.120 4.009 0.111 1
1 1861 . 7 1 1 A 152 152 GLY HA3 H 152 4.120 4.026 0.094 1
1 1862 . 7 1 1 A 152 152 GLY C C 152 171.668 173.250 -1.582 1
1 1863 . 7 1 1 A 153 153 PRO CA C 153 63.147 62.414 0.733 1
1 1864 . 7 1 1 A 153 153 PRO HA H 153 4.425 4.580 -0.155 1
1 1865 . 7 1 1 A 153 153 PRO CB C 153 32.149 33.185 -1.036 1
1 1874 . 7 1 1 A 153 153 PRO C C 153 176.656 175.559 1.097 1
1 1875 . 7 1 1 A 154 154 ASP N N 154 120.420 118.339 2.081 1
1 1876 . 7 1 1 A 154 154 ASP H H 154 8.463 8.459 0.004 1
1 1877 . 7 1 1 A 154 154 ASP CA C 154 54.429 52.456 1.973 1
1 1878 . 7 1 1 A 154 154 ASP HA H 154 4.575 5.307 -0.732 1
1 1879 . 7 1 1 A 154 154 ASP CB C 154 40.979 42.558 -1.579 1
1 1882 . 7 1 1 A 154 154 ASP C C 154 176.163 176.158 0.005 1
1 1883 . 7 1 1 A 155 155 LEU N N 155 123.563 122.732 0.831 1
1 1884 . 7 1 1 A 155 155 LEU H H 155 8.266 8.707 -0.441 1
1 1885 . 7 1 1 A 155 155 LEU CA C 155 55.022 55.613 -0.591 1
1 1886 . 7 1 1 A 155 155 LEU HA H 155 4.358 3.988 0.370 1
1 1887 . 7 1 1 A 155 155 LEU CB C 155 42.157 39.766 2.391 1
1 1900 . 7 1 1 A 155 155 LEU C C 155 176.990 176.256 0.734 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.655 56.818 1.837 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.501 5.215 -0.714 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.644 66.367 -2.723 1
1 6 . 8 1 1 A 6 6 SER C C 6 175.063 173.393 1.670 1
1 7 . 8 1 1 A 7 7 GLY N N 7 111.113 113.793 -2.680 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.473 8.452 0.021 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.373 45.350 0.023 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 3.967 4.215 -0.248 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 3.967 4.217 -0.250 1
1 12 . 8 1 1 A 7 7 GLY C C 7 173.934 173.678 0.256 1
1 13 . 8 1 1 A 8 8 ALA N N 8 123.788 125.730 -1.942 1
1 14 . 8 1 1 A 8 8 ALA H H 8 8.197 8.322 -0.125 1
1 15 . 8 1 1 A 8 8 ALA CA C 8 52.548 50.714 1.834 1
1 16 . 8 1 1 A 8 8 ALA HA H 8 4.342 4.978 -0.636 1
1 17 . 8 1 1 A 8 8 ALA CB C 8 19.403 20.982 -1.579 1
1 21 . 8 1 1 A 8 8 ALA C C 8 177.902 176.344 1.558 1
1 22 . 8 1 1 A 9 9 GLU N N 9 120.004 124.045 -4.041 1
1 23 . 8 1 1 A 9 9 GLU H H 9 8.524 8.691 -0.167 1
1 24 . 8 1 1 A 9 9 GLU CA C 9 56.763 56.319 0.444 1
1 25 . 8 1 1 A 9 9 GLU HA H 9 4.308 4.470 -0.162 1
1 26 . 8 1 1 A 9 9 GLU CB C 9 30.161 28.717 1.444 1
1 32 . 8 1 1 A 9 9 GLU C C 9 176.646 176.014 0.632 1
1 33 . 8 1 1 A 10 10 SER N N 10 116.268 119.717 -3.449 1
1 34 . 8 1 1 A 10 10 SER H H 10 8.305 8.260 0.045 1
1 35 . 8 1 1 A 10 10 SER CA C 10 58.426 57.682 0.744 1
1 36 . 8 1 1 A 10 10 SER HA H 10 4.429 5.241 -0.812 1
1 37 . 8 1 1 A 10 10 SER CB C 10 63.933 66.795 -2.862 1
1 40 . 8 1 1 A 10 10 SER C C 10 174.267 172.731 1.536 1
1 41 . 8 1 1 A 11 11 GLU N N 11 122.435 123.161 -0.726 1
1 42 . 8 1 1 A 11 11 GLU H H 11 8.368 8.499 -0.131 1
1 43 . 8 1 1 A 11 11 GLU CA C 11 56.233 54.514 1.719 1
1 44 . 8 1 1 A 11 11 GLU HA H 11 4.367 4.758 -0.391 1
1 45 . 8 1 1 A 11 11 GLU CB C 11 30.692 31.369 -0.677 1
1 51 . 8 1 1 A 11 11 GLU C C 11 175.800 176.781 -0.981 1
1 52 . 8 1 1 A 12 12 SER N N 12 116.596 118.031 -1.435 1
1 53 . 8 1 1 A 12 12 SER H H 12 8.299 8.580 -0.281 1
1 54 . 8 1 1 A 12 12 SER CA C 12 58.355 58.634 -0.279 1
1 55 . 8 1 1 A 12 12 SER HA H 12 4.457 4.709 -0.252 1
1 56 . 8 1 1 A 12 12 SER CB C 12 64.573 64.343 0.230 1
1 59 . 8 1 1 A 12 12 SER C C 12 173.309 174.060 -0.751 1
1 60 . 8 1 1 A 13 13 PHE N N 13 121.293 119.638 1.655 1
1 61 . 8 1 1 A 13 13 PHE H H 13 8.346 8.927 -0.581 1
1 62 . 8 1 1 A 13 13 PHE CA C 13 56.851 57.053 -0.202 1
1 63 . 8 1 1 A 13 13 PHE HA H 13 5.384 5.208 0.176 1
1 64 . 8 1 1 A 13 13 PHE CB C 13 42.542 42.631 -0.089 1
1 77 . 8 1 1 A 13 13 PHE C C 13 174.500 175.028 -0.528 1
1 78 . 8 1 1 A 14 14 VAL N N 14 116.020 116.107 -0.087 1
1 79 . 8 1 1 A 14 14 VAL H H 14 9.313 9.076 0.237 1
1 80 . 8 1 1 A 14 14 VAL CA C 14 60.141 59.488 0.653 1
1 81 . 8 1 1 A 14 14 VAL HA H 14 4.455 4.932 -0.477 1
1 82 . 8 1 1 A 14 14 VAL CB C 14 36.318 36.344 -0.026 1
1 92 . 8 1 1 A 14 14 VAL C C 14 174.668 174.376 0.292 1
1 93 . 8 1 1 A 15 15 LEU N N 15 121.725 121.719 0.006 1
1 94 . 8 1 1 A 15 15 LEU H H 15 8.476 8.499 -0.023 1
1 95 . 8 1 1 A 15 15 LEU CA C 15 54.800 52.942 1.858 1
1 96 . 8 1 1 A 15 15 LEU HA H 15 4.403 4.810 -0.407 1
1 97 . 8 1 1 A 15 15 LEU CB C 15 39.816 42.657 -2.841 1
1 110 . 8 1 1 A 15 15 LEU C C 15 177.001 176.385 0.616 1
1 111 . 8 1 1 A 16 16 ASP N N 16 126.576 124.737 1.839 1
1 112 . 8 1 1 A 16 16 ASP H H 16 8.766 8.583 0.183 1
1 113 . 8 1 1 A 16 16 ASP CA C 16 52.828 53.360 -0.532 1
1 114 . 8 1 1 A 16 16 ASP HA H 16 5.081 4.796 0.285 1
1 115 . 8 1 1 A 16 16 ASP CB C 16 42.268 40.960 1.308 1
1 118 . 8 1 1 A 16 16 ASP C C 16 174.640 175.595 -0.955 1
1 119 . 8 1 1 A 17 17 PHE N N 17 112.958 117.643 -4.685 1
1 120 . 8 1 1 A 17 17 PHE H H 17 6.915 7.019 -0.104 1
1 121 . 8 1 1 A 17 17 PHE CA C 17 55.489 56.014 -0.525 1
1 122 . 8 1 1 A 17 17 PHE HA H 17 4.938 5.257 -0.319 1
1 123 . 8 1 1 A 17 17 PHE CB C 17 39.154 41.864 -2.710 1
1 136 . 8 1 1 A 17 17 PHE C C 17 173.746 173.135 0.611 1
1 137 . 8 1 1 A 18 18 SER N N 18 114.977 117.460 -2.483 1
1 138 . 8 1 1 A 18 18 SER H H 18 8.569 8.966 -0.397 1
1 139 . 8 1 1 A 18 18 SER CA C 18 57.046 58.875 -1.829 1
1 140 . 8 1 1 A 18 18 SER HA H 18 4.670 4.725 -0.055 1
1 141 . 8 1 1 A 18 18 SER CB C 18 63.974 63.588 0.386 1
1 144 . 8 1 1 A 18 18 SER C C 18 175.437 174.489 0.948 1
1 145 . 8 1 1 A 19 19 GLN N N 19 123.586 124.930 -1.344 1
1 146 . 8 1 1 A 19 19 GLN H H 19 9.033 8.470 0.563 1
1 147 . 8 1 1 A 19 19 GLN CA C 19 54.023 55.066 -1.043 1
1 148 . 8 1 1 A 19 19 GLN HA H 19 4.558 4.449 0.109 1
1 149 . 8 1 1 A 19 19 GLN CB C 19 27.994 28.604 -0.610 1
1 158 . 8 1 1 A 19 19 GLN C C 19 177.642 176.371 1.271 1
1 159 . 8 1 1 A 20 20 PRO CA C 20 65.836 65.447 0.389 1
1 160 . 8 1 1 A 20 20 PRO HA H 20 4.370 4.507 -0.137 1
1 161 . 8 1 1 A 20 20 PRO CB C 20 32.556 32.241 0.315 1
1 170 . 8 1 1 A 20 20 PRO C C 20 178.374 178.578 -0.204 1
1 171 . 8 1 1 A 21 21 SER N N 21 104.386 112.197 -7.811 1
1 172 . 8 1 1 A 21 21 SER H H 21 7.216 7.980 -0.764 1
1 173 . 8 1 1 A 21 21 SER CA C 21 58.886 61.262 -2.376 1
1 174 . 8 1 1 A 21 21 SER HA H 21 3.271 3.893 -0.622 1
1 175 . 8 1 1 A 21 21 SER CB C 21 62.401 62.405 -0.004 1
1 178 . 8 1 1 A 21 21 SER C C 21 174.423 176.809 -2.386 1
1 179 . 8 1 1 A 22 22 ALA N N 22 123.008 122.797 0.211 1
1 180 . 8 1 1 A 22 22 ALA H H 22 7.700 7.994 -0.294 1
1 181 . 8 1 1 A 22 22 ALA CA C 22 53.968 55.413 -1.445 1
1 182 . 8 1 1 A 22 22 ALA HA H 22 4.198 4.098 0.100 1
1 183 . 8 1 1 A 22 22 ALA CB C 22 18.504 18.948 -0.444 1
1 187 . 8 1 1 A 22 22 ALA C C 22 177.624 177.739 -0.115 1
1 188 . 8 1 1 A 23 23 ASP N N 23 117.789 117.596 0.193 1
1 189 . 8 1 1 A 23 23 ASP H H 23 7.080 8.164 -1.084 1
1 190 . 8 1 1 A 23 23 ASP CA C 23 52.151 53.270 -1.119 1
1 191 . 8 1 1 A 23 23 ASP HA H 23 4.893 4.959 -0.066 1
1 192 . 8 1 1 A 23 23 ASP CB C 23 40.592 40.590 0.002 1
1 195 . 8 1 1 A 23 23 ASP C C 23 175.032 175.899 -0.867 1
1 196 . 8 1 1 A 24 24 TYR N N 24 123.295 126.442 -3.147 1
1 197 . 8 1 1 A 24 24 TYR H H 24 8.217 8.991 -0.774 1
1 198 . 8 1 1 A 24 24 TYR CA C 24 61.711 61.717 -0.006 1
1 199 . 8 1 1 A 24 24 TYR HA H 24 4.196 4.031 0.165 1
1 200 . 8 1 1 A 24 24 TYR CB C 24 38.456 39.176 -0.720 1
1 211 . 8 1 1 A 24 24 TYR C C 24 177.434 177.349 0.085 1
1 212 . 8 1 1 A 25 25 LEU N N 25 119.429 121.115 -1.686 1
1 213 . 8 1 1 A 25 25 LEU H H 25 8.074 8.470 -0.396 1
1 214 . 8 1 1 A 25 25 LEU CA C 25 57.691 58.465 -0.774 1
1 215 . 8 1 1 A 25 25 LEU HA H 25 3.967 4.044 -0.077 1
1 216 . 8 1 1 A 25 25 LEU CB C 25 41.388 41.539 -0.151 1
1 229 . 8 1 1 A 25 25 LEU C C 25 178.768 178.387 0.381 1
1 230 . 8 1 1 A 26 26 ASP N N 26 119.881 118.438 1.443 1
1 231 . 8 1 1 A 26 26 ASP H H 26 7.561 8.209 -0.648 1
1 232 . 8 1 1 A 26 26 ASP CA C 26 57.625 57.472 0.153 1
1 233 . 8 1 1 A 26 26 ASP HA H 26 4.367 4.303 0.064 1
1 234 . 8 1 1 A 26 26 ASP CB C 26 42.955 41.680 1.275 1
1 237 . 8 1 1 A 26 26 ASP C C 26 177.657 178.463 -0.806 1
1 238 . 8 1 1 A 27 27 PHE N N 27 118.946 120.491 -1.545 1
1 239 . 8 1 1 A 27 27 PHE H H 27 8.750 8.482 0.268 1
1 240 . 8 1 1 A 27 27 PHE CA C 27 61.323 61.425 -0.102 1
1 241 . 8 1 1 A 27 27 PHE HA H 27 4.088 4.129 -0.041 1
1 242 . 8 1 1 A 27 27 PHE CB C 27 39.606 39.342 0.264 1
1 255 . 8 1 1 A 27 27 PHE C C 27 176.662 177.167 -0.505 1
1 256 . 8 1 1 A 28 28 ARG N N 28 116.744 118.462 -1.718 1
1 257 . 8 1 1 A 28 28 ARG H H 28 8.079 8.351 -0.272 1
1 258 . 8 1 1 A 28 28 ARG CA C 28 59.051 58.701 0.350 1
1 259 . 8 1 1 A 28 28 ARG HA H 28 3.590 4.051 -0.461 1
1 260 . 8 1 1 A 28 28 ARG CB C 28 29.516 30.243 -0.727 1
1 269 . 8 1 1 A 28 28 ARG C C 28 179.306 178.221 1.085 1
1 270 . 8 1 1 A 29 29 ASN N N 29 119.381 118.006 1.375 1
1 271 . 8 1 1 A 29 29 ASN H H 29 8.106 8.556 -0.450 1
1 272 . 8 1 1 A 29 29 ASN CA C 29 55.861 55.747 0.114 1
1 273 . 8 1 1 A 29 29 ASN HA H 29 4.361 4.488 -0.127 1
1 274 . 8 1 1 A 29 29 ASN CB C 29 37.622 37.876 -0.254 1
1 280 . 8 1 1 A 29 29 ASN C C 29 178.555 178.284 0.271 1
1 281 . 8 1 1 A 30 30 ARG N N 30 123.244 119.691 3.553 1
1 282 . 8 1 1 A 30 30 ARG H H 30 8.640 7.779 0.861 1
1 283 . 8 1 1 A 30 30 ARG CA C 30 59.708 58.479 1.229 1
1 284 . 8 1 1 A 30 30 ARG HA H 30 3.912 4.011 -0.099 1
1 285 . 8 1 1 A 30 30 ARG CB C 30 30.910 29.724 1.186 1
1 296 . 8 1 1 A 30 30 ARG C C 30 178.651 178.248 0.403 1
1 297 . 8 1 1 A 31 31 LEU N N 31 119.911 121.622 -1.711 1
1 298 . 8 1 1 A 31 31 LEU H H 31 7.988 7.569 0.419 1
1 299 . 8 1 1 A 31 31 LEU CA C 31 58.049 56.584 1.465 1
1 300 . 8 1 1 A 31 31 LEU HA H 31 3.409 3.928 -0.519 1
1 301 . 8 1 1 A 31 31 LEU CB C 31 41.342 41.654 -0.312 1
1 314 . 8 1 1 A 31 31 LEU C C 31 178.698 177.964 0.734 1
1 315 . 8 1 1 A 32 32 GLN N N 32 114.904 118.242 -3.338 1
1 316 . 8 1 1 A 32 32 GLN H H 32 7.416 7.732 -0.316 1
1 317 . 8 1 1 A 32 32 GLN CA C 32 58.019 57.774 0.245 1
1 318 . 8 1 1 A 32 32 GLN HA H 32 3.891 4.057 -0.166 1
1 319 . 8 1 1 A 32 32 GLN CB C 32 28.679 28.831 -0.152 1
1 328 . 8 1 1 A 32 32 GLN C C 32 176.457 176.994 -0.537 1
1 329 . 8 1 1 A 33 33 ALA N N 33 119.088 120.933 -1.845 1
1 330 . 8 1 1 A 33 33 ALA H H 33 7.791 7.717 0.074 1
1 331 . 8 1 1 A 33 33 ALA CA C 33 54.057 53.296 0.761 1
1 332 . 8 1 1 A 33 33 ALA HA H 33 4.099 4.136 -0.037 1
1 333 . 8 1 1 A 33 33 ALA CB C 33 19.921 19.205 0.716 1
1 337 . 8 1 1 A 33 33 ALA C C 33 178.303 177.975 0.328 1
1 338 . 8 1 1 A 34 34 ASP N N 34 115.377 116.983 -1.606 1
1 339 . 8 1 1 A 34 34 ASP H H 34 8.662 7.588 1.074 1
1 340 . 8 1 1 A 34 34 ASP CA C 34 55.153 53.656 1.497 1
1 341 . 8 1 1 A 34 34 ASP HA H 34 4.698 4.724 -0.026 1
1 342 . 8 1 1 A 34 34 ASP CB C 34 41.976 41.059 0.917 1
1 345 . 8 1 1 A 34 34 ASP C C 34 177.531 175.349 2.182 1
1 346 . 8 1 1 A 35 35 HIS N N 35 108.110 116.056 -7.946 1
1 347 . 8 1 1 A 35 35 HIS H H 35 7.018 7.647 -0.629 1
1 348 . 8 1 1 A 35 35 HIS CA C 35 58.336 56.794 1.542 1
1 349 . 8 1 1 A 35 35 HIS HA H 35 4.543 4.377 0.166 1
1 350 . 8 1 1 A 35 35 HIS CB C 35 26.472 26.377 0.095 1
1 357 . 8 1 1 A 35 35 HIS C C 35 171.507 173.365 -1.858 1
1 358 . 8 1 1 A 36 36 VAL N N 36 115.529 116.664 -1.135 1
1 359 . 8 1 1 A 36 36 VAL H H 36 7.065 7.410 -0.345 1
1 360 . 8 1 1 A 36 36 VAL CA C 36 58.549 60.794 -2.245 1
1 361 . 8 1 1 A 36 36 VAL HA H 36 4.867 4.417 0.450 1
1 362 . 8 1 1 A 36 36 VAL CB C 36 33.135 34.343 -1.208 1
1 372 . 8 1 1 A 36 36 VAL C C 36 171.953 173.667 -1.714 1
1 373 . 8 1 1 A 37 37 CYS N N 37 124.685 124.524 0.161 1
1 374 . 8 1 1 A 37 37 CYS H H 37 8.694 8.048 0.646 1
1 375 . 8 1 1 A 37 37 CYS CA C 37 59.979 58.244 1.735 1
1 376 . 8 1 1 A 37 37 CYS HA H 37 4.594 4.893 -0.299 1
1 377 . 8 1 1 A 37 37 CYS CB C 37 29.016 30.804 -1.788 1
1 380 . 8 1 1 A 37 37 CYS C C 37 173.445 172.758 0.687 1
1 381 . 8 1 1 A 38 38 LEU N N 38 132.291 127.031 5.260 1
1 382 . 8 1 1 A 38 38 LEU H H 38 9.625 8.842 0.783 1
1 383 . 8 1 1 A 38 38 LEU CA C 38 57.958 54.829 3.129 1
1 384 . 8 1 1 A 38 38 LEU HA H 38 4.167 4.788 -0.621 1
1 385 . 8 1 1 A 38 38 LEU CB C 38 42.189 43.023 -0.834 1
1 398 . 8 1 1 A 38 38 LEU C C 38 173.188 177.110 -3.922 1
1 399 . 8 1 1 A 39 39 GLU N N 39 127.988 128.152 -0.164 1
1 400 . 8 1 1 A 39 39 GLU H H 39 9.267 9.457 -0.190 1
1 401 . 8 1 1 A 39 39 GLU CA C 39 57.435 58.664 -1.229 1
1 402 . 8 1 1 A 39 39 GLU HA H 39 4.521 4.263 0.258 1
1 403 . 8 1 1 A 39 39 GLU CB C 39 31.891 30.307 1.584 1
1 409 . 8 1 1 A 39 39 GLU C C 39 175.300 176.452 -1.152 1
1 410 . 8 1 1 A 40 40 ASN N N 40 115.109 112.961 2.148 1
1 411 . 8 1 1 A 40 40 ASN H H 40 7.757 7.745 0.012 1
1 412 . 8 1 1 A 40 40 ASN CA C 40 52.151 51.514 0.637 1
1 413 . 8 1 1 A 40 40 ASN HA H 40 5.353 5.273 0.080 1
1 414 . 8 1 1 A 40 40 ASN CB C 40 43.324 42.061 1.263 1
1 420 . 8 1 1 A 40 40 ASN C C 40 173.918 173.255 0.663 1
1 421 . 8 1 1 A 41 41 CYS N N 41 120.861 120.846 0.015 1
1 422 . 8 1 1 A 41 41 CYS H H 41 9.646 9.048 0.598 1
1 423 . 8 1 1 A 41 41 CYS CA C 41 58.934 57.385 1.549 1
1 424 . 8 1 1 A 41 41 CYS HA H 41 5.167 5.118 0.049 1
1 425 . 8 1 1 A 41 41 CYS CB C 41 30.293 29.052 1.241 1
1 428 . 8 1 1 A 41 41 CYS C C 41 171.600 173.844 -2.244 1
1 429 . 8 1 1 A 42 42 VAL N N 42 126.721 123.754 2.967 1
1 430 . 8 1 1 A 42 42 VAL H H 42 9.532 8.687 0.845 1
1 431 . 8 1 1 A 42 42 VAL CA C 42 60.463 59.973 0.490 1
1 432 . 8 1 1 A 42 42 VAL HA H 42 4.454 4.786 -0.332 1
1 433 . 8 1 1 A 42 42 VAL CB C 42 35.496 33.529 1.967 1
1 443 . 8 1 1 A 42 42 VAL C C 42 173.645 174.287 -0.642 1
1 444 . 8 1 1 A 43 43 LEU N N 43 127.183 123.978 3.205 1
1 445 . 8 1 1 A 43 43 LEU H H 43 8.597 8.699 -0.102 1
1 446 . 8 1 1 A 43 43 LEU CA C 43 54.209 53.509 0.700 1
1 447 . 8 1 1 A 43 43 LEU HA H 43 5.050 5.300 -0.250 1
1 448 . 8 1 1 A 43 43 LEU CB C 43 43.450 46.064 -2.614 1
1 461 . 8 1 1 A 43 43 LEU C C 43 176.151 174.887 1.264 1
1 462 . 8 1 1 A 44 44 LYS N N 44 127.086 124.599 2.487 1
1 463 . 8 1 1 A 44 44 LYS H H 44 8.726 9.138 -0.412 1
1 464 . 8 1 1 A 44 44 LYS CA C 44 55.033 54.179 0.854 1
1 465 . 8 1 1 A 44 44 LYS HA H 44 4.552 4.873 -0.321 1
1 466 . 8 1 1 A 44 44 LYS CB C 44 34.147 36.249 -2.102 1
1 478 . 8 1 1 A 44 44 LYS C C 44 175.176 175.637 -0.461 1
1 479 . 8 1 1 A 45 45 ASP N N 45 123.045 121.236 1.809 1
1 480 . 8 1 1 A 45 45 ASP H H 45 8.876 8.579 0.297 1
1 481 . 8 1 1 A 45 45 ASP CA C 45 56.515 55.015 1.500 1
1 482 . 8 1 1 A 45 45 ASP HA H 45 4.321 4.528 -0.207 1
1 483 . 8 1 1 A 45 45 ASP CB C 45 39.782 40.298 -0.516 1
1 486 . 8 1 1 A 45 45 ASP C C 45 175.339 176.132 -0.793 1
1 487 . 8 1 1 A 46 46 LYS N N 46 118.201 118.045 0.156 1
1 488 . 8 1 1 A 46 46 LYS H H 46 8.620 9.090 -0.470 1
1 489 . 8 1 1 A 46 46 LYS CA C 46 56.158 57.207 -1.049 1
1 490 . 8 1 1 A 46 46 LYS HA H 46 4.079 3.790 0.289 1
1 491 . 8 1 1 A 46 46 LYS CB C 46 30.929 30.044 0.885 1
1 503 . 8 1 1 A 46 46 LYS C C 46 174.615 175.064 -0.449 1
1 504 . 8 1 1 A 47 47 ALA N N 47 121.283 117.756 3.527 1
1 505 . 8 1 1 A 47 47 ALA H H 47 7.611 7.132 0.479 1
1 506 . 8 1 1 A 47 47 ALA CA C 47 51.809 51.508 0.301 1
1 507 . 8 1 1 A 47 47 ALA HA H 47 5.105 4.909 0.196 1
1 508 . 8 1 1 A 47 47 ALA CB C 47 22.739 23.032 -0.293 1
1 512 . 8 1 1 A 47 47 ALA C C 47 175.508 175.121 0.387 1
1 513 . 8 1 1 A 48 48 ILE N N 48 114.639 114.846 -0.207 1
1 514 . 8 1 1 A 48 48 ILE H H 48 8.819 8.745 0.074 1
1 515 . 8 1 1 A 48 48 ILE CA C 48 59.017 59.136 -0.119 1
1 516 . 8 1 1 A 48 48 ILE HA H 48 5.230 5.140 0.090 1
1 517 . 8 1 1 A 48 48 ILE CB C 48 41.811 42.503 -0.692 1
1 530 . 8 1 1 A 48 48 ILE C C 48 172.954 174.446 -1.492 1
1 531 . 8 1 1 A 49 49 ALA N N 49 126.155 122.852 3.303 1
1 532 . 8 1 1 A 49 49 ALA H H 49 8.652 8.424 0.228 1
1 533 . 8 1 1 A 49 49 ALA CA C 49 50.095 50.861 -0.766 1
1 534 . 8 1 1 A 49 49 ALA HA H 49 4.769 5.099 -0.330 1
1 535 . 8 1 1 A 49 49 ALA CB C 49 22.651 22.904 -0.253 1
1 539 . 8 1 1 A 49 49 ALA C C 49 175.812 175.822 -0.010 1
1 540 . 8 1 1 A 50 50 GLY N N 50 105.980 106.462 -0.482 1
1 541 . 8 1 1 A 50 50 GLY H H 50 6.754 6.983 -0.229 1
1 542 . 8 1 1 A 50 50 GLY CA C 50 46.134 45.012 1.122 1
1 543 . 8 1 1 A 50 50 GLY HA2 H 50 3.803 3.879 -0.076 1
1 544 . 8 1 1 A 50 50 GLY HA3 H 50 4.077 3.997 0.080 1
1 545 . 8 1 1 A 50 50 GLY C C 50 172.510 172.283 0.227 1
1 546 . 8 1 1 A 51 51 THR N N 51 108.648 110.820 -2.172 1
1 547 . 8 1 1 A 51 51 THR H H 51 8.556 8.834 -0.278 1
1 548 . 8 1 1 A 51 51 THR CA C 51 59.116 60.117 -1.001 1
1 549 . 8 1 1 A 51 51 THR HA H 51 5.588 5.364 0.224 1
1 550 . 8 1 1 A 51 51 THR CB C 51 72.737 70.714 2.023 1
1 556 . 8 1 1 A 51 51 THR C C 51 174.087 173.810 0.277 1
1 557 . 8 1 1 A 52 52 VAL N N 52 122.025 125.175 -3.150 1
1 558 . 8 1 1 A 52 52 VAL H H 52 9.746 9.522 0.224 1
1 559 . 8 1 1 A 52 52 VAL CA C 52 61.371 60.672 0.699 1
1 560 . 8 1 1 A 52 52 VAL HA H 52 4.463 4.906 -0.443 1
1 561 . 8 1 1 A 52 52 VAL CB C 52 36.986 34.535 2.451 1
1 571 . 8 1 1 A 52 52 VAL C C 52 174.687 175.103 -0.416 1
1 572 . 8 1 1 A 53 53 LYS N N 53 125.115 125.969 -0.854 1
1 573 . 8 1 1 A 53 53 LYS H H 53 8.567 9.105 -0.538 1
1 574 . 8 1 1 A 53 53 LYS CA C 53 53.668 54.910 -1.242 1
1 575 . 8 1 1 A 53 53 LYS HA H 53 5.599 5.048 0.551 1
1 576 . 8 1 1 A 53 53 LYS CB C 53 37.855 35.627 2.228 1
1 588 . 8 1 1 A 53 53 LYS C C 53 174.697 175.679 -0.982 1
1 589 . 8 1 1 A 54 54 VAL N N 54 110.661 118.155 -7.494 1
1 590 . 8 1 1 A 54 54 VAL H H 54 8.498 8.824 -0.326 1
1 591 . 8 1 1 A 54 54 VAL CA C 54 57.682 59.005 -1.323 1
1 592 . 8 1 1 A 54 54 VAL HA H 54 4.825 4.526 0.299 1
1 593 . 8 1 1 A 54 54 VAL CB C 54 34.634 35.385 -0.751 1
1 603 . 8 1 1 A 54 54 VAL C C 54 176.105 174.063 2.042 1
1 604 . 8 1 1 A 55 55 GLN N N 55 119.414 122.609 -3.195 1
1 605 . 8 1 1 A 55 55 GLN H H 55 7.924 8.502 -0.578 1
1 606 . 8 1 1 A 55 55 GLN CA C 55 56.023 55.735 0.288 1
1 607 . 8 1 1 A 55 55 GLN HA H 55 4.456 4.614 -0.158 1
1 608 . 8 1 1 A 55 55 GLN CB C 55 30.216 29.524 0.692 1
1 617 . 8 1 1 A 55 55 GLN C C 55 176.800 175.505 1.295 1
1 618 . 8 1 1 A 56 56 ASN N N 56 125.676 122.995 2.681 1
1 619 . 8 1 1 A 56 56 ASN H H 56 8.837 8.668 0.169 1
1 620 . 8 1 1 A 56 56 ASN CA C 56 53.190 52.222 0.968 1
1 621 . 8 1 1 A 56 56 ASN HA H 56 4.575 4.797 -0.222 1
1 622 . 8 1 1 A 56 56 ASN CB C 56 36.855 37.327 -0.472 1
1 628 . 8 1 1 A 56 56 ASN C C 56 174.747 175.633 -0.886 1
1 629 . 8 1 1 A 57 57 LEU N N 57 124.779 126.915 -2.136 1
1 630 . 8 1 1 A 57 57 LEU H H 57 7.284 8.802 -1.518 1
1 631 . 8 1 1 A 57 57 LEU CA C 57 55.224 56.477 -1.253 1
1 632 . 8 1 1 A 57 57 LEU HA H 57 4.326 4.260 0.066 1
1 633 . 8 1 1 A 57 57 LEU CB C 57 43.634 42.838 0.796 1
1 646 . 8 1 1 A 57 57 LEU C C 57 176.186 176.858 -0.672 1
1 647 . 8 1 1 A 58 58 ALA N N 58 119.342 119.500 -0.158 1
1 648 . 8 1 1 A 58 58 ALA H H 58 7.724 7.458 0.266 1
1 649 . 8 1 1 A 58 58 ALA CA C 58 51.687 50.069 1.618 1
1 650 . 8 1 1 A 58 58 ALA HA H 58 4.343 4.311 0.032 1
1 651 . 8 1 1 A 58 58 ALA CB C 58 21.122 21.170 -0.048 1
1 655 . 8 1 1 A 58 58 ALA C C 58 175.847 177.308 -1.461 1
1 656 . 8 1 1 A 59 59 PHE N N 59 118.235 117.559 0.676 1
1 657 . 8 1 1 A 59 59 PHE H H 59 8.231 8.037 0.194 1
1 658 . 8 1 1 A 59 59 PHE CA C 59 60.105 60.997 -0.892 1
1 659 . 8 1 1 A 59 59 PHE HA H 59 4.428 4.313 0.115 1
1 660 . 8 1 1 A 59 59 PHE CB C 59 40.386 39.625 0.761 1
1 673 . 8 1 1 A 59 59 PHE C C 59 176.670 176.530 0.140 1
1 674 . 8 1 1 A 60 60 GLU N N 60 120.295 116.439 3.856 1
1 675 . 8 1 1 A 60 60 GLU H H 60 8.482 7.932 0.550 1
1 676 . 8 1 1 A 60 60 GLU CA C 60 57.134 55.632 1.502 1
1 677 . 8 1 1 A 60 60 GLU HA H 60 4.306 4.773 -0.467 1
1 678 . 8 1 1 A 60 60 GLU CB C 60 29.569 31.101 -1.532 1
1 684 . 8 1 1 A 60 60 GLU C C 60 175.584 175.613 -0.029 1
1 685 . 8 1 1 A 61 61 LYS N N 61 123.512 119.257 4.255 1
1 686 . 8 1 1 A 61 61 LYS H H 61 8.377 8.422 -0.045 1
1 687 . 8 1 1 A 61 61 LYS CA C 61 55.939 54.867 1.072 1
1 688 . 8 1 1 A 61 61 LYS HA H 61 5.038 5.167 -0.129 1
1 689 . 8 1 1 A 61 61 LYS CB C 61 37.890 37.098 0.792 1
1 701 . 8 1 1 A 61 61 LYS C C 61 175.510 175.398 0.112 1
1 702 . 8 1 1 A 62 62 THR N N 62 117.107 117.437 -0.330 1
1 703 . 8 1 1 A 62 62 THR H H 62 8.285 8.301 -0.016 1
1 704 . 8 1 1 A 62 62 THR CA C 62 62.340 61.692 0.648 1
1 705 . 8 1 1 A 62 62 THR HA H 62 4.435 4.759 -0.324 1
1 706 . 8 1 1 A 62 62 THR CB C 62 71.605 70.375 1.230 1
1 712 . 8 1 1 A 62 62 THR C C 62 172.156 172.984 -0.828 1
1 713 . 8 1 1 A 63 63 VAL N N 63 128.402 127.746 0.656 1
1 714 . 8 1 1 A 63 63 VAL H H 63 8.719 8.864 -0.145 1
1 715 . 8 1 1 A 63 63 VAL CA C 63 60.707 61.134 -0.427 1
1 716 . 8 1 1 A 63 63 VAL HA H 63 4.755 4.500 0.255 1
1 717 . 8 1 1 A 63 63 VAL CB C 63 35.210 32.434 2.776 1
1 727 . 8 1 1 A 63 63 VAL C C 63 174.313 175.340 -1.027 1
1 728 . 8 1 1 A 64 64 LYS N N 64 123.629 125.251 -1.622 1
1 729 . 8 1 1 A 64 64 LYS H H 64 8.519 8.520 -0.001 1
1 730 . 8 1 1 A 64 64 LYS CA C 64 54.850 54.577 0.273 1
1 731 . 8 1 1 A 64 64 LYS HA H 64 4.997 4.968 0.029 1
1 732 . 8 1 1 A 64 64 LYS CB C 64 37.343 36.129 1.214 1
1 744 . 8 1 1 A 64 64 LYS C C 64 173.348 175.495 -2.147 1
1 745 . 8 1 1 A 65 65 ILE N N 65 119.250 123.915 -4.665 1
1 746 . 8 1 1 A 65 65 ILE H H 65 8.637 8.483 0.154 1
1 747 . 8 1 1 A 65 65 ILE CA C 65 57.894 60.239 -2.345 1
1 748 . 8 1 1 A 65 65 ILE HA H 65 4.451 4.646 -0.195 1
1 749 . 8 1 1 A 65 65 ILE CB C 65 37.638 38.406 -0.768 1
1 762 . 8 1 1 A 65 65 ILE C C 65 174.893 174.675 0.218 1
1 763 . 8 1 1 A 66 66 ARG N N 66 130.193 128.721 1.472 1
1 764 . 8 1 1 A 66 66 ARG H H 66 9.244 8.848 0.396 1
1 765 . 8 1 1 A 66 66 ARG CA C 66 55.930 55.058 0.872 1
1 766 . 8 1 1 A 66 66 ARG HA H 66 5.440 4.952 0.488 1
1 767 . 8 1 1 A 66 66 ARG CB C 66 31.514 31.762 -0.248 1
1 778 . 8 1 1 A 66 66 ARG C C 66 174.161 174.721 -0.560 1
1 779 . 8 1 1 A 67 67 MET N N 67 128.046 127.359 0.687 1
1 780 . 8 1 1 A 67 67 MET H H 67 9.343 9.426 -0.083 1
1 781 . 8 1 1 A 67 67 MET CA C 67 54.217 53.883 0.334 1
1 782 . 8 1 1 A 67 67 MET HA H 67 5.318 5.334 -0.016 1
1 783 . 8 1 1 A 67 67 MET CB C 67 37.533 36.030 1.503 1
1 793 . 8 1 1 A 67 67 MET C C 67 173.432 174.369 -0.937 1
1 794 . 8 1 1 A 68 68 THR N N 68 118.404 118.679 -0.275 1
1 795 . 8 1 1 A 68 68 THR H H 68 8.474 8.440 0.034 1
1 796 . 8 1 1 A 68 68 THR CA C 68 58.903 59.169 -0.266 1
1 797 . 8 1 1 A 68 68 THR HA H 68 3.948 5.097 -1.149 1
1 798 . 8 1 1 A 68 68 THR CB C 68 71.091 71.785 -0.694 1
1 804 . 8 1 1 A 68 68 THR C C 68 170.783 173.003 -2.220 1
1 805 . 8 1 1 A 69 69 PHE N N 69 124.029 123.097 0.932 1
1 806 . 8 1 1 A 69 69 PHE H H 69 8.910 9.258 -0.348 1
1 807 . 8 1 1 A 69 69 PHE CA C 69 55.772 57.577 -1.805 1
1 808 . 8 1 1 A 69 69 PHE HA H 69 4.783 4.795 -0.012 1
1 809 . 8 1 1 A 69 69 PHE CB C 69 39.748 40.473 -0.725 1
1 822 . 8 1 1 A 69 69 PHE C C 69 174.951 174.999 -0.048 1
1 823 . 8 1 1 A 70 70 ASP N N 70 121.457 119.176 2.281 1
1 824 . 8 1 1 A 70 70 ASP H H 70 8.841 7.305 1.536 1
1 825 . 8 1 1 A 70 70 ASP CA C 70 52.288 52.785 -0.497 1
1 826 . 8 1 1 A 70 70 ASP HA H 70 4.661 5.014 -0.353 1
1 827 . 8 1 1 A 70 70 ASP CB C 70 40.026 41.850 -1.824 1
1 830 . 8 1 1 A 70 70 ASP C C 70 177.065 175.762 1.303 1
1 831 . 8 1 1 A 71 71 THR N N 71 114.661 116.434 -1.773 1
1 832 . 8 1 1 A 71 71 THR H H 71 8.724 9.083 -0.359 1
1 833 . 8 1 1 A 71 71 THR CA C 71 63.824 63.105 0.719 1
1 834 . 8 1 1 A 71 71 THR HA H 71 3.181 3.934 -0.753 1
1 835 . 8 1 1 A 71 71 THR CB C 71 66.535 67.008 -0.473 1
1 841 . 8 1 1 A 71 71 THR C C 71 173.648 173.996 -0.348 1
1 842 . 8 1 1 A 72 72 TRP N N 72 111.097 113.258 -2.161 1
1 843 . 8 1 1 A 72 72 TRP H H 72 8.854 7.987 0.867 1
1 844 . 8 1 1 A 72 72 TRP CA C 72 58.910 58.039 0.871 1
1 845 . 8 1 1 A 72 72 TRP HA H 72 3.951 4.273 -0.322 1
1 846 . 8 1 1 A 72 72 TRP CB C 72 24.332 26.535 -2.203 1
1 861 . 8 1 1 A 72 72 TRP C C 72 176.875 176.240 0.635 1
1 862 . 8 1 1 A 73 73 LYS N N 73 124.701 117.525 7.176 1
1 863 . 8 1 1 A 73 73 LYS H H 73 7.785 8.297 -0.512 1
1 864 . 8 1 1 A 73 73 LYS CA C 73 60.463 56.559 3.904 1
1 865 . 8 1 1 A 73 73 LYS HA H 73 4.174 4.505 -0.331 1
1 866 . 8 1 1 A 73 73 LYS CB C 73 31.024 35.275 -4.251 1
1 878 . 8 1 1 A 73 73 LYS C C 73 177.622 176.639 0.983 1
1 879 . 8 1 1 A 74 74 SER N N 74 117.041 113.212 3.829 1
1 880 . 8 1 1 A 74 74 SER H H 74 10.002 7.835 2.167 1
1 881 . 8 1 1 A 74 74 SER CA C 74 57.539 56.801 0.738 1
1 882 . 8 1 1 A 74 74 SER HA H 74 4.556 4.660 -0.104 1
1 883 . 8 1 1 A 74 74 SER CB C 74 66.372 63.694 2.678 1
1 886 . 8 1 1 A 74 74 SER C C 74 171.956 172.316 -0.360 1
1 887 . 8 1 1 A 75 75 TYR N N 75 113.320 125.272 -11.952 1
1 888 . 8 1 1 A 75 75 TYR H H 75 7.735 8.369 -0.634 1
1 889 . 8 1 1 A 75 75 TYR CA C 75 57.155 55.406 1.749 1
1 890 . 8 1 1 A 75 75 TYR HA H 75 5.229 5.758 -0.529 1
1 891 . 8 1 1 A 75 75 TYR CB C 75 40.745 42.115 -1.370 1
1 902 . 8 1 1 A 75 75 TYR C C 75 174.262 174.776 -0.514 1
1 903 . 8 1 1 A 76 76 THR N N 76 117.158 115.516 1.642 1
1 904 . 8 1 1 A 76 76 THR H H 76 9.212 8.288 0.924 1
1 905 . 8 1 1 A 76 76 THR CA C 76 62.104 61.130 0.974 1
1 906 . 8 1 1 A 76 76 THR HA H 76 4.318 4.892 -0.574 1
1 907 . 8 1 1 A 76 76 THR CB C 76 72.675 71.776 0.899 1
1 913 . 8 1 1 A 76 76 THR C C 76 171.344 172.710 -1.366 1
1 914 . 8 1 1 A 77 77 ASP N N 77 125.875 126.108 -0.233 1
1 915 . 8 1 1 A 77 77 ASP H H 77 8.569 8.823 -0.254 1
1 916 . 8 1 1 A 77 77 ASP CA C 77 52.422 53.087 -0.665 1
1 917 . 8 1 1 A 77 77 ASP HA H 77 5.865 4.828 1.037 1
1 918 . 8 1 1 A 77 77 ASP CB C 77 41.512 41.146 0.366 1
1 921 . 8 1 1 A 77 77 ASP C C 77 175.921 175.163 0.758 1
1 922 . 8 1 1 A 78 78 PHE N N 78 125.666 123.830 1.836 1
1 923 . 8 1 1 A 78 78 PHE H H 78 9.992 8.355 1.637 1
1 924 . 8 1 1 A 78 78 PHE CA C 78 55.578 55.949 -0.371 1
1 925 . 8 1 1 A 78 78 PHE HA H 78 4.943 4.975 -0.032 1
1 926 . 8 1 1 A 78 78 PHE CB C 78 40.375 40.134 0.241 1
1 939 . 8 1 1 A 78 78 PHE C C 78 173.610 174.016 -0.406 1
1 940 . 8 1 1 A 79 79 PRO CA C 79 63.363 63.142 0.221 1
1 941 . 8 1 1 A 79 79 PRO HA H 79 4.615 4.589 0.026 1
1 942 . 8 1 1 A 79 79 PRO CB C 79 32.787 32.564 0.223 1
1 951 . 8 1 1 A 79 79 PRO C C 79 176.681 177.286 -0.605 1
1 952 . 8 1 1 A 80 80 CYS N N 80 117.289 121.805 -4.516 1
1 953 . 8 1 1 A 80 80 CYS H H 80 8.308 7.976 0.332 1
1 954 . 8 1 1 A 80 80 CYS CA C 80 57.675 59.004 -1.329 1
1 955 . 8 1 1 A 80 80 CYS HA H 80 5.242 4.761 0.481 1
1 956 . 8 1 1 A 80 80 CYS CB C 80 30.658 29.472 1.186 1
1 959 . 8 1 1 A 80 80 CYS C C 80 174.899 174.197 0.702 1
1 960 . 8 1 1 A 81 81 GLN N N 81 122.188 119.372 2.816 1
1 961 . 8 1 1 A 81 81 GLN H H 81 9.312 8.903 0.409 1
1 962 . 8 1 1 A 81 81 GLN CA C 81 54.620 54.286 0.334 1
1 963 . 8 1 1 A 81 81 GLN HA H 81 4.911 4.961 -0.050 1
1 964 . 8 1 1 A 81 81 GLN CB C 81 31.213 32.331 -1.118 1
1 973 . 8 1 1 A 81 81 GLN C C 81 175.035 173.821 1.214 1
1 974 . 8 1 1 A 82 82 TYR N N 82 125.814 123.231 2.583 1
1 975 . 8 1 1 A 82 82 TYR H H 82 8.919 8.982 -0.063 1
1 976 . 8 1 1 A 82 82 TYR CA C 82 58.764 56.345 2.419 1
1 977 . 8 1 1 A 82 82 TYR HA H 82 3.403 5.100 -1.697 1
1 978 . 8 1 1 A 82 82 TYR CB C 82 38.346 40.628 -2.282 1
1 989 . 8 1 1 A 82 82 TYR C C 82 175.413 174.233 1.180 1
1 990 . 8 1 1 A 83 83 VAL N N 83 129.316 126.609 2.707 1
1 991 . 8 1 1 A 83 83 VAL H H 83 7.782 8.099 -0.317 1
1 992 . 8 1 1 A 83 83 VAL CA C 83 61.693 62.206 -0.513 1
1 993 . 8 1 1 A 83 83 VAL HA H 83 3.758 4.091 -0.333 1
1 994 . 8 1 1 A 83 83 VAL CB C 83 32.564 31.464 1.100 1
1 1004 . 8 1 1 A 83 83 VAL C C 83 173.771 174.126 -0.355 1
1 1005 . 8 1 1 A 84 84 LYS N N 84 126.665 129.553 -2.888 1
1 1006 . 8 1 1 A 84 84 LYS H H 84 8.174 8.920 -0.746 1
1 1007 . 8 1 1 A 84 84 LYS CA C 84 56.144 54.879 1.265 1
1 1008 . 8 1 1 A 84 84 LYS HA H 84 4.016 4.928 -0.912 1
1 1009 . 8 1 1 A 84 84 LYS CB C 84 32.170 34.123 -1.953 1
1 1021 . 8 1 1 A 84 84 LYS C C 84 175.610 174.665 0.945 1
1 1022 . 8 1 1 A 85 85 ASP N N 85 124.262 125.708 -1.446 1
1 1023 . 8 1 1 A 85 85 ASP H H 85 7.864 8.458 -0.594 1
1 1024 . 8 1 1 A 85 85 ASP CA C 85 53.349 53.495 -0.146 1
1 1025 . 8 1 1 A 85 85 ASP HA H 85 4.678 4.975 -0.297 1
1 1026 . 8 1 1 A 85 85 ASP CB C 85 41.683 43.935 -2.252 1
1 1029 . 8 1 1 A 85 85 ASP C C 85 176.841 175.361 1.480 1
1 1030 . 8 1 1 A 86 86 THR N N 86 113.656 118.887 -5.231 1
1 1031 . 8 1 1 A 86 86 THR H H 86 8.065 8.563 -0.498 1
1 1032 . 8 1 1 A 86 86 THR CA C 86 63.274 65.969 -2.695 1
1 1033 . 8 1 1 A 86 86 THR HA H 86 4.086 3.786 0.300 1
1 1034 . 8 1 1 A 86 86 THR CB C 86 69.257 68.573 0.684 1
1 1040 . 8 1 1 A 86 86 THR C C 86 174.589 175.588 -0.999 1
1 1041 . 8 1 1 A 87 87 TYR N N 87 120.837 119.568 1.269 1
1 1042 . 8 1 1 A 87 87 TYR H H 87 8.064 7.717 0.347 1
1 1043 . 8 1 1 A 87 87 TYR CA C 87 58.054 59.618 -1.564 1
1 1044 . 8 1 1 A 87 87 TYR HA H 87 4.527 4.425 0.102 1
1 1045 . 8 1 1 A 87 87 TYR CB C 87 38.297 38.210 0.087 1
1 1056 . 8 1 1 A 87 87 TYR C C 87 175.590 177.251 -1.661 1
1 1057 . 8 1 1 A 88 88 ALA N N 88 125.226 120.969 4.257 1
1 1058 . 8 1 1 A 88 88 ALA H H 88 7.963 7.304 0.659 1
1 1059 . 8 1 1 A 88 88 ALA CA C 88 53.104 53.080 0.024 1
1 1060 . 8 1 1 A 88 88 ALA HA H 88 4.389 4.132 0.257 1
1 1061 . 8 1 1 A 88 88 ALA CB C 88 19.127 19.172 -0.045 1
1 1065 . 8 1 1 A 88 88 ALA C C 88 178.497 178.007 0.490 1
1 1066 . 8 1 1 A 89 89 GLY N N 89 109.029 111.360 -2.331 1
1 1067 . 8 1 1 A 89 89 GLY H H 89 8.479 8.614 -0.135 1
1 1068 . 8 1 1 A 89 89 GLY CA C 89 45.426 45.026 0.400 1
1 1069 . 8 1 1 A 89 89 GLY HA2 H 89 3.952 4.111 -0.159 1
1 1070 . 8 1 1 A 89 89 GLY HA3 H 89 4.079 4.112 -0.033 1
1 1071 . 8 1 1 A 89 89 GLY C C 89 174.563 174.725 -0.162 1
1 1072 . 8 1 1 A 90 90 SER N N 90 115.638 115.925 -0.287 1
1 1073 . 8 1 1 A 90 90 SER H H 90 8.232 8.936 -0.704 1
1 1074 . 8 1 1 A 90 90 SER CA C 90 58.443 62.341 -3.898 1
1 1075 . 8 1 1 A 90 90 SER HA H 90 4.574 4.130 0.444 1
1 1076 . 8 1 1 A 90 90 SER CB C 90 63.865 63.334 0.531 1
1 1079 . 8 1 1 A 90 90 SER C C 90 174.212 176.029 -1.817 1
1 1080 . 8 1 1 A 91 91 ASP N N 91 120.185 122.076 -1.891 1
1 1081 . 8 1 1 A 91 91 ASP H H 91 8.691 8.207 0.484 1
1 1082 . 8 1 1 A 91 91 ASP CA C 91 55.012 57.766 -2.754 1
1 1083 . 8 1 1 A 91 91 ASP HA H 91 4.684 4.397 0.287 1
1 1084 . 8 1 1 A 91 91 ASP CB C 91 40.643 40.592 0.051 1
1 1087 . 8 1 1 A 91 91 ASP C C 91 176.350 176.791 -0.441 1
1 1088 . 8 1 1 A 92 92 ARG N N 92 119.690 115.412 4.278 1
1 1089 . 8 1 1 A 92 92 ARG H H 92 8.072 7.851 0.221 1
1 1090 . 8 1 1 A 92 92 ARG CA C 92 54.941 54.982 -0.041 1
1 1091 . 8 1 1 A 92 92 ARG HA H 92 5.022 4.776 0.246 1
1 1092 . 8 1 1 A 92 92 ARG CB C 92 32.816 31.912 0.904 1
1 1101 . 8 1 1 A 92 92 ARG C C 92 174.072 174.752 -0.680 1
1 1102 . 8 1 1 A 93 93 ASP N N 93 119.716 118.810 0.906 1
1 1103 . 8 1 1 A 93 93 ASP H H 93 8.550 8.641 -0.091 1
1 1104 . 8 1 1 A 93 93 ASP CA C 93 53.411 52.563 0.848 1
1 1105 . 8 1 1 A 93 93 ASP HA H 93 5.108 5.359 -0.251 1
1 1106 . 8 1 1 A 93 93 ASP CB C 93 46.005 45.199 0.806 1
1 1109 . 8 1 1 A 93 93 ASP C C 93 174.776 175.179 -0.403 1
1 1110 . 8 1 1 A 94 94 THR N N 94 116.481 114.748 1.733 1
1 1111 . 8 1 1 A 94 94 THR H H 94 8.932 8.262 0.670 1
1 1112 . 8 1 1 A 94 94 THR CA C 94 62.287 60.829 1.458 1
1 1113 . 8 1 1 A 94 94 THR HA H 94 5.232 5.022 0.210 1
1 1114 . 8 1 1 A 94 94 THR CB C 94 70.008 71.984 -1.976 1
1 1120 . 8 1 1 A 94 94 THR C C 94 171.982 173.093 -1.111 1
1 1121 . 8 1 1 A 95 95 PHE N N 95 124.488 125.753 -1.265 1
1 1122 . 8 1 1 A 95 95 PHE H H 95 9.347 9.167 0.180 1
1 1123 . 8 1 1 A 95 95 PHE CA C 95 55.834 56.097 -0.263 1
1 1124 . 8 1 1 A 95 95 PHE HA H 95 5.321 5.199 0.122 1
1 1125 . 8 1 1 A 95 95 PHE CB C 95 43.478 42.127 1.351 1
1 1138 . 8 1 1 A 95 95 PHE C C 95 174.780 174.533 0.247 1
1 1139 . 8 1 1 A 96 96 SER N N 96 117.417 119.114 -1.697 1
1 1140 . 8 1 1 A 96 96 SER H H 96 10.108 8.880 1.228 1
1 1141 . 8 1 1 A 96 96 SER CA C 96 56.388 56.575 -0.187 1
1 1142 . 8 1 1 A 96 96 SER HA H 96 5.575 5.207 0.368 1
1 1143 . 8 1 1 A 96 96 SER CB C 96 67.188 64.859 2.329 1
1 1146 . 8 1 1 A 96 96 SER C C 96 173.079 173.495 -0.416 1
1 1147 . 8 1 1 A 97 97 PHE N N 97 114.813 118.887 -4.074 1
1 1148 . 8 1 1 A 97 97 PHE H H 97 7.991 8.307 -0.316 1
1 1149 . 8 1 1 A 97 97 PHE CA C 97 56.003 55.477 0.526 1
1 1150 . 8 1 1 A 97 97 PHE HA H 97 5.249 5.458 -0.209 1
1 1151 . 8 1 1 A 97 97 PHE CB C 97 42.008 42.682 -0.674 1
1 1164 . 8 1 1 A 97 97 PHE C C 97 174.316 173.234 1.082 1
1 1165 . 8 1 1 A 98 98 ASP N N 98 121.809 119.865 1.944 1
1 1166 . 8 1 1 A 98 98 ASP H H 98 8.297 9.039 -0.742 1
1 1167 . 8 1 1 A 98 98 ASP CA C 98 54.789 53.166 1.623 1
1 1168 . 8 1 1 A 98 98 ASP HA H 98 5.006 5.398 -0.392 1
1 1169 . 8 1 1 A 98 98 ASP CB C 98 42.282 42.556 -0.274 1
1 1172 . 8 1 1 A 98 98 ASP C C 98 174.959 174.605 0.354 1
1 1173 . 8 1 1 A 99 99 ILE N N 99 126.714 125.438 1.276 1
1 1174 . 8 1 1 A 99 99 ILE H H 99 9.331 8.884 0.447 1
1 1175 . 8 1 1 A 99 99 ILE CA C 99 60.455 60.239 0.216 1
1 1176 . 8 1 1 A 99 99 ILE HA H 99 4.016 4.572 -0.556 1
1 1177 . 8 1 1 A 99 99 ILE CB C 99 42.110 39.682 2.428 1
1 1190 . 8 1 1 A 99 99 ILE C C 99 175.019 175.326 -0.307 1
1 1191 . 8 1 1 A 100 100 SER N N 100 122.590 121.175 1.415 1
1 1192 . 8 1 1 A 100 100 SER H H 100 8.345 8.676 -0.331 1
1 1193 . 8 1 1 A 100 100 SER CA C 100 58.848 56.589 2.259 1
1 1194 . 8 1 1 A 100 100 SER HA H 100 4.527 5.125 -0.598 1
1 1195 . 8 1 1 A 100 100 SER CB C 100 63.482 64.279 -0.797 1
1 1198 . 8 1 1 A 100 100 SER C C 100 173.557 174.265 -0.708 1
1 1199 . 8 1 1 A 101 101 LEU N N 101 124.776 126.406 -1.630 1
1 1200 . 8 1 1 A 101 101 LEU H H 101 8.277 8.695 -0.418 1
1 1201 . 8 1 1 A 101 101 LEU CA C 101 52.430 53.625 -1.195 1
1 1202 . 8 1 1 A 101 101 LEU HA H 101 4.375 4.454 -0.079 1
1 1203 . 8 1 1 A 101 101 LEU CB C 101 40.427 40.953 -0.526 1
1 1216 . 8 1 1 A 101 101 LEU C C 101 174.363 174.770 -0.407 1
1 1217 . 8 1 1 A 102 102 PRO CA C 102 62.488 62.190 0.298 1
1 1218 . 8 1 1 A 102 102 PRO HA H 102 4.259 4.389 -0.130 1
1 1219 . 8 1 1 A 102 102 PRO CB C 102 32.073 32.519 -0.446 1
1 1228 . 8 1 1 A 102 102 PRO C C 102 175.687 177.823 -2.136 1
1 1229 . 8 1 1 A 103 103 GLU N N 103 118.843 121.571 -2.728 1
1 1230 . 8 1 1 A 103 103 GLU H H 103 8.286 8.708 -0.422 1
1 1231 . 8 1 1 A 103 103 GLU CA C 103 58.131 59.123 -0.992 1
1 1232 . 8 1 1 A 103 103 GLU HA H 103 4.013 4.082 -0.069 1
1 1233 . 8 1 1 A 103 103 GLU CB C 103 30.344 29.332 1.012 1
1 1239 . 8 1 1 A 103 103 GLU C C 103 176.869 175.906 0.963 1
1 1240 . 8 1 1 A 104 104 LYS N N 104 116.544 117.901 -1.357 1
1 1241 . 8 1 1 A 104 104 LYS H H 104 7.869 7.665 0.204 1
1 1242 . 8 1 1 A 104 104 LYS CA C 104 55.314 55.225 0.089 1
1 1243 . 8 1 1 A 104 104 LYS HA H 104 4.474 5.006 -0.532 1
1 1244 . 8 1 1 A 104 104 LYS CB C 104 33.428 37.096 -3.668 1
1 1256 . 8 1 1 A 104 104 LYS C C 104 175.231 174.901 0.330 1
1 1257 . 8 1 1 A 105 105 ILE N N 105 122.507 121.586 0.921 1
1 1258 . 8 1 1 A 105 105 ILE H H 105 8.236 8.612 -0.376 1
1 1259 . 8 1 1 A 105 105 ILE CA C 105 60.636 60.848 -0.212 1
1 1260 . 8 1 1 A 105 105 ILE HA H 105 4.190 4.986 -0.796 1
1 1261 . 8 1 1 A 105 105 ILE CB C 105 39.685 40.993 -1.308 1
1 1274 . 8 1 1 A 105 105 ILE C C 105 176.091 174.950 1.141 1
1 1275 . 8 1 1 A 106 106 GLN N N 106 124.467 127.300 -2.833 1
1 1276 . 8 1 1 A 106 106 GLN H H 106 8.752 9.332 -0.580 1
1 1277 . 8 1 1 A 106 106 GLN CA C 106 56.244 54.389 1.855 1
1 1278 . 8 1 1 A 106 106 GLN HA H 106 4.243 4.962 -0.719 1
1 1279 . 8 1 1 A 106 106 GLN CB C 106 28.717 32.081 -3.364 1
1 1288 . 8 1 1 A 106 106 GLN C C 106 177.593 175.529 2.064 1
1 1289 . 8 1 1 A 107 107 SER N N 107 116.963 117.252 -0.289 1
1 1290 . 8 1 1 A 107 107 SER H H 107 8.623 8.760 -0.137 1
1 1291 . 8 1 1 A 107 107 SER CA C 107 60.530 57.149 3.381 1
1 1292 . 8 1 1 A 107 107 SER HA H 107 4.152 4.516 -0.364 1
1 1293 . 8 1 1 A 107 107 SER CB C 107 63.187 61.420 1.767 1
1 1296 . 8 1 1 A 107 107 SER C C 107 174.222 174.542 -0.320 1
1 1297 . 8 1 1 A 108 108 TYR N N 108 116.323 122.840 -6.517 1
1 1298 . 8 1 1 A 108 108 TYR H H 108 7.330 7.704 -0.374 1
1 1299 . 8 1 1 A 108 108 TYR CA C 108 56.727 57.409 -0.682 1
1 1300 . 8 1 1 A 108 108 TYR HA H 108 4.655 4.878 -0.223 1
1 1301 . 8 1 1 A 108 108 TYR CB C 108 37.491 40.159 -2.668 1
1 1312 . 8 1 1 A 108 108 TYR C C 108 175.768 174.822 0.946 1
1 1313 . 8 1 1 A 109 109 GLU N N 109 120.523 119.637 0.886 1
1 1314 . 8 1 1 A 109 109 GLU H H 109 7.587 7.115 0.472 1
1 1315 . 8 1 1 A 109 109 GLU CA C 109 55.573 54.245 1.328 1
1 1316 . 8 1 1 A 109 109 GLU HA H 109 4.582 4.766 -0.184 1
1 1317 . 8 1 1 A 109 109 GLU CB C 109 31.360 32.675 -1.315 1
1 1323 . 8 1 1 A 109 109 GLU C C 109 176.013 174.282 1.731 1
1 1324 . 8 1 1 A 110 110 ARG N N 110 118.559 124.612 -6.053 1
1 1325 . 8 1 1 A 110 110 ARG H H 110 8.441 8.390 0.051 1
1 1326 . 8 1 1 A 110 110 ARG CA C 110 55.667 56.047 -0.380 1
1 1327 . 8 1 1 A 110 110 ARG HA H 110 4.786 4.577 0.209 1
1 1328 . 8 1 1 A 110 110 ARG CB C 110 32.404 31.294 1.110 1
1 1339 . 8 1 1 A 110 110 ARG C C 110 174.387 174.793 -0.406 1
1 1340 . 8 1 1 A 111 111 MET N N 111 122.471 125.616 -3.145 1
1 1341 . 8 1 1 A 111 111 MET H H 111 8.665 8.853 -0.188 1
1 1342 . 8 1 1 A 111 111 MET CA C 111 54.151 53.838 0.313 1
1 1343 . 8 1 1 A 111 111 MET HA H 111 5.167 4.869 0.298 1
1 1344 . 8 1 1 A 111 111 MET CB C 111 35.735 34.972 0.763 1
1 1354 . 8 1 1 A 111 111 MET C C 111 174.924 174.438 0.486 1
1 1355 . 8 1 1 A 112 112 GLU N N 112 119.500 125.359 -5.859 1
1 1356 . 8 1 1 A 112 112 GLU H H 112 7.951 8.542 -0.591 1
1 1357 . 8 1 1 A 112 112 GLU CA C 112 53.909 54.640 -0.731 1
1 1358 . 8 1 1 A 112 112 GLU HA H 112 5.662 5.033 0.629 1
1 1359 . 8 1 1 A 112 112 GLU CB C 112 35.198 34.344 0.854 1
1 1365 . 8 1 1 A 112 112 GLU C C 112 174.483 174.909 -0.426 1
1 1366 . 8 1 1 A 113 113 PHE N N 113 115.033 117.442 -2.409 1
1 1367 . 8 1 1 A 113 113 PHE H H 113 9.278 8.847 0.431 1
1 1368 . 8 1 1 A 113 113 PHE CA C 113 55.857 56.315 -0.458 1
1 1369 . 8 1 1 A 113 113 PHE HA H 113 6.262 5.392 0.870 1
1 1370 . 8 1 1 A 113 113 PHE CB C 113 43.656 42.266 1.390 1
1 1383 . 8 1 1 A 113 113 PHE C C 113 172.253 172.864 -0.611 1
1 1384 . 8 1 1 A 114 114 ALA N N 114 121.461 121.677 -0.216 1
1 1385 . 8 1 1 A 114 114 ALA H H 114 9.475 8.790 0.685 1
1 1386 . 8 1 1 A 114 114 ALA CA C 114 50.860 51.119 -0.259 1
1 1387 . 8 1 1 A 114 114 ALA HA H 114 5.026 5.504 -0.478 1
1 1388 . 8 1 1 A 114 114 ALA CB C 114 23.129 22.752 0.377 1
1 1392 . 8 1 1 A 114 114 ALA C C 114 174.903 177.010 -2.107 1
1 1393 . 8 1 1 A 115 115 VAL N N 115 120.899 123.479 -2.580 1
1 1394 . 8 1 1 A 115 115 VAL H H 115 8.928 8.862 0.066 1
1 1395 . 8 1 1 A 115 115 VAL CA C 115 61.379 63.504 -2.125 1
1 1396 . 8 1 1 A 115 115 VAL HA H 115 4.798 4.218 0.580 1
1 1397 . 8 1 1 A 115 115 VAL CB C 115 34.712 32.270 2.442 1
1 1407 . 8 1 1 A 115 115 VAL C C 115 174.444 174.791 -0.347 1
1 1408 . 8 1 1 A 116 116 TYR N N 116 123.426 128.093 -4.667 1
1 1409 . 8 1 1 A 116 116 TYR H H 116 8.963 8.436 0.527 1
1 1410 . 8 1 1 A 116 116 TYR CA C 116 55.480 54.250 1.230 1
1 1411 . 8 1 1 A 116 116 TYR HA H 116 5.081 4.597 0.484 1
1 1412 . 8 1 1 A 116 116 TYR CB C 116 38.928 39.613 -0.685 1
1 1423 . 8 1 1 A 116 116 TYR C C 116 172.208 172.913 -0.705 1
1 1424 . 8 1 1 A 117 117 TYR N N 117 123.249 130.165 -6.916 1
1 1425 . 8 1 1 A 117 117 TYR H H 117 8.858 8.828 0.030 1
1 1426 . 8 1 1 A 117 117 TYR CA C 117 52.371 56.382 -4.011 1
1 1427 . 8 1 1 A 117 117 TYR HA H 117 5.528 4.806 0.722 1
1 1428 . 8 1 1 A 117 117 TYR CB C 117 41.509 40.679 0.830 1
1 1439 . 8 1 1 A 117 117 TYR C C 117 173.159 173.529 -0.370 1
1 1440 . 8 1 1 A 118 118 GLU N N 118 127.681 127.765 -0.084 1
1 1441 . 8 1 1 A 118 118 GLU H H 118 9.368 8.671 0.697 1
1 1442 . 8 1 1 A 118 118 GLU CA C 118 54.179 55.037 -0.858 1
1 1443 . 8 1 1 A 118 118 GLU HA H 118 5.085 4.993 0.092 1
1 1444 . 8 1 1 A 118 118 GLU CB C 118 32.099 31.617 0.482 1
1 1450 . 8 1 1 A 118 118 GLU C C 118 175.565 174.740 0.825 1
1 1451 . 8 1 1 A 119 119 CYS N N 119 122.152 123.352 -1.200 1
1 1452 . 8 1 1 A 119 119 CYS H H 119 8.323 8.319 0.004 1
1 1453 . 8 1 1 A 119 119 CYS CA C 119 58.248 58.758 -0.510 1
1 1454 . 8 1 1 A 119 119 CYS HA H 119 4.479 4.600 -0.121 1
1 1455 . 8 1 1 A 119 119 CYS CB C 119 29.065 30.279 -1.214 1
1 1458 . 8 1 1 A 119 119 CYS C C 119 174.586 173.043 1.543 1
1 1459 . 8 1 1 A 120 120 ASN N N 120 126.917 125.272 1.645 1
1 1460 . 8 1 1 A 120 120 ASN H H 120 9.858 9.175 0.683 1
1 1461 . 8 1 1 A 120 120 ASN CA C 120 53.735 54.338 -0.603 1
1 1462 . 8 1 1 A 120 120 ASN HA H 120 4.342 4.344 -0.002 1
1 1463 . 8 1 1 A 120 120 ASN CB C 120 37.873 37.244 0.629 1
1 1469 . 8 1 1 A 120 120 ASN C C 120 174.943 175.559 -0.616 1
1 1470 . 8 1 1 A 121 121 GLY N N 121 104.866 103.624 1.242 1
1 1471 . 8 1 1 A 121 121 GLY H H 121 8.776 8.529 0.247 1
1 1472 . 8 1 1 A 121 121 GLY CA C 121 45.586 45.958 -0.372 1
1 1473 . 8 1 1 A 121 121 GLY HA2 H 121 4.041 3.805 0.236 1
1 1474 . 8 1 1 A 121 121 GLY HA3 H 121 3.553 3.812 -0.259 1
1 1475 . 8 1 1 A 121 121 GLY C C 121 173.804 173.582 0.222 1
1 1476 . 8 1 1 A 122 122 GLN N N 122 119.988 118.682 1.306 1
1 1477 . 8 1 1 A 122 122 GLN H H 122 7.677 7.790 -0.113 1
1 1478 . 8 1 1 A 122 122 GLN CA C 122 53.624 53.546 0.078 1
1 1479 . 8 1 1 A 122 122 GLN HA H 122 4.395 4.684 -0.289 1
1 1480 . 8 1 1 A 122 122 GLN CB C 122 31.456 31.826 -0.370 1
1 1489 . 8 1 1 A 122 122 GLN C C 122 174.029 174.195 -0.166 1
1 1490 . 8 1 1 A 123 123 THR N N 123 116.337 116.009 0.328 1
1 1491 . 8 1 1 A 123 123 THR H H 123 7.990 8.268 -0.278 1
1 1492 . 8 1 1 A 123 123 THR CA C 123 61.935 60.912 1.023 1
1 1493 . 8 1 1 A 123 123 THR HA H 123 4.620 4.741 -0.121 1
1 1494 . 8 1 1 A 123 123 THR CB C 123 70.005 70.345 -0.340 1
1 1500 . 8 1 1 A 123 123 THR C C 123 172.596 173.022 -0.426 1
1 1501 . 8 1 1 A 124 124 TYR N N 124 128.915 126.108 2.807 1
1 1502 . 8 1 1 A 124 124 TYR H H 124 9.416 8.699 0.717 1
1 1503 . 8 1 1 A 124 124 TYR CA C 124 56.388 56.114 0.274 1
1 1504 . 8 1 1 A 124 124 TYR HA H 124 4.962 5.312 -0.350 1
1 1505 . 8 1 1 A 124 124 TYR CB C 124 40.688 40.399 0.289 1
1 1516 . 8 1 1 A 124 124 TYR C C 124 174.284 174.642 -0.358 1
1 1517 . 8 1 1 A 125 125 TRP N N 125 119.850 123.855 -4.005 1
1 1518 . 8 1 1 A 125 125 TRP H H 125 8.738 9.168 -0.430 1
1 1519 . 8 1 1 A 125 125 TRP CA C 125 56.940 55.603 1.337 1
1 1520 . 8 1 1 A 125 125 TRP HA H 125 5.388 5.589 -0.201 1
1 1521 . 8 1 1 A 125 125 TRP CB C 125 33.031 31.432 1.599 1
1 1536 . 8 1 1 A 125 125 TRP C C 125 176.973 174.728 2.245 1
1 1537 . 8 1 1 A 126 126 ASP N N 126 118.759 126.544 -7.785 1
1 1538 . 8 1 1 A 126 126 ASP H H 126 9.436 9.055 0.381 1
1 1539 . 8 1 1 A 126 126 ASP CA C 126 53.968 52.809 1.159 1
1 1540 . 8 1 1 A 126 126 ASP HA H 126 5.213 5.231 -0.018 1
1 1541 . 8 1 1 A 126 126 ASP CB C 126 42.641 42.533 0.108 1
1 1544 . 8 1 1 A 126 126 ASP C C 126 176.043 174.550 1.493 1
1 1545 . 8 1 1 A 127 127 SER N N 127 119.074 120.016 -0.942 1
1 1546 . 8 1 1 A 127 127 SER H H 127 8.520 8.592 -0.072 1
1 1547 . 8 1 1 A 127 127 SER CA C 127 55.118 56.585 -1.467 1
1 1548 . 8 1 1 A 127 127 SER HA H 127 4.811 4.958 -0.147 1
1 1549 . 8 1 1 A 127 127 SER CB C 127 63.866 64.249 -0.383 1
1 1552 . 8 1 1 A 127 127 SER C C 127 175.840 173.141 2.699 1
1 1553 . 8 1 1 A 128 128 ASN N N 128 124.865 118.764 6.101 1
1 1554 . 8 1 1 A 128 128 ASN H H 128 9.242 8.652 0.590 1
1 1555 . 8 1 1 A 128 128 ASN CA C 128 53.224 54.069 -0.845 1
1 1556 . 8 1 1 A 128 128 ASN HA H 128 4.071 3.912 0.159 1
1 1557 . 8 1 1 A 128 128 ASN CB C 128 34.281 36.329 -2.048 1
1 1563 . 8 1 1 A 128 128 ASN C C 128 176.607 174.337 2.270 1
1 1564 . 8 1 1 A 129 129 ARG N N 129 114.718 110.431 4.287 1
1 1565 . 8 1 1 A 129 129 ARG H H 129 9.475 8.303 1.172 1
1 1566 . 8 1 1 A 129 129 ARG CA C 129 56.798 57.099 -0.301 1
1 1567 . 8 1 1 A 129 129 ARG HA H 129 3.774 3.811 -0.037 1
1 1568 . 8 1 1 A 129 129 ARG CB C 129 27.145 27.792 -0.647 1
1 1579 . 8 1 1 A 129 129 ARG C C 129 176.132 175.771 0.361 1
1 1580 . 8 1 1 A 130 130 GLY N N 130 106.337 106.170 0.167 1
1 1581 . 8 1 1 A 130 130 GLY H H 130 7.568 8.053 -0.485 1
1 1582 . 8 1 1 A 130 130 GLY CA C 130 44.896 46.133 -1.237 1
1 1583 . 8 1 1 A 130 130 GLY HA2 H 130 4.103 4.007 0.096 1
1 1584 . 8 1 1 A 130 130 GLY HA3 H 130 3.425 4.019 -0.594 1
1 1585 . 8 1 1 A 130 130 GLY C C 130 174.521 174.065 0.456 1
1 1586 . 8 1 1 A 131 131 LYS N N 131 119.902 123.646 -3.744 1
1 1587 . 8 1 1 A 131 131 LYS H H 131 7.278 8.130 -0.852 1
1 1588 . 8 1 1 A 131 131 LYS CA C 131 57.336 58.024 -0.688 1
1 1589 . 8 1 1 A 131 131 LYS HA H 131 4.132 4.218 -0.086 1
1 1590 . 8 1 1 A 131 131 LYS CB C 131 33.719 32.653 1.066 1
1 1602 . 8 1 1 A 131 131 LYS C C 131 177.813 176.613 1.200 1
1 1603 . 8 1 1 A 132 132 ASN N N 132 107.489 112.007 -4.518 1
1 1604 . 8 1 1 A 132 132 ASN H H 132 8.268 7.699 0.569 1
1 1605 . 8 1 1 A 132 132 ASN CA C 132 54.717 52.251 2.466 1
1 1606 . 8 1 1 A 132 132 ASN HA H 132 3.691 4.793 -1.102 1
1 1607 . 8 1 1 A 132 132 ASN CB C 132 39.462 40.528 -1.066 1
1 1613 . 8 1 1 A 132 132 ASN C C 132 172.611 172.770 -0.159 1
1 1614 . 8 1 1 A 133 133 TYR N N 133 120.541 119.934 0.607 1
1 1615 . 8 1 1 A 133 133 TYR H H 133 8.696 8.439 0.257 1
1 1616 . 8 1 1 A 133 133 TYR CA C 133 58.334 57.788 0.546 1
1 1617 . 8 1 1 A 133 133 TYR HA H 133 3.879 4.272 -0.393 1
1 1618 . 8 1 1 A 133 133 TYR CB C 133 35.955 36.620 -0.665 1
1 1627 . 8 1 1 A 133 133 TYR C C 133 175.026 175.186 -0.160 1
1 1628 . 8 1 1 A 134 134 ARG N N 134 123.205 126.164 -2.959 1
1 1629 . 8 1 1 A 134 134 ARG H H 134 8.584 8.553 0.031 1
1 1630 . 8 1 1 A 134 134 ARG CA C 134 56.025 56.691 -0.666 1
1 1631 . 8 1 1 A 134 134 ARG HA H 134 5.043 4.678 0.365 1
1 1632 . 8 1 1 A 134 134 ARG CB C 134 32.734 30.789 1.945 1
1 1643 . 8 1 1 A 134 134 ARG C C 134 174.511 175.198 -0.687 1
1 1644 . 8 1 1 A 135 135 ILE N N 135 124.430 128.712 -4.282 1
1 1645 . 8 1 1 A 135 135 ILE H H 135 8.429 8.644 -0.215 1
1 1646 . 8 1 1 A 135 135 ILE CA C 135 61.078 60.030 1.048 1
1 1647 . 8 1 1 A 135 135 ILE HA H 135 4.797 4.927 -0.130 1
1 1648 . 8 1 1 A 135 135 ILE CB C 135 39.875 39.345 0.530 1
1 1661 . 8 1 1 A 135 135 ILE C C 135 175.279 175.758 -0.479 1
1 1662 . 8 1 1 A 136 136 ILE N N 136 120.496 122.538 -2.042 1
1 1663 . 8 1 1 A 136 136 ILE H H 136 9.000 8.820 0.180 1
1 1664 . 8 1 1 A 136 136 ILE CA C 136 59.359 58.877 0.482 1
1 1665 . 8 1 1 A 136 136 ILE HA H 136 5.028 5.202 -0.174 1
1 1666 . 8 1 1 A 136 136 ILE CB C 136 42.170 41.720 0.450 1
1 1679 . 8 1 1 A 136 136 ILE C C 136 175.144 174.983 0.161 1
1 1680 . 8 1 1 A 137 137 ARG N N 137 122.183 123.591 -1.408 1
1 1681 . 8 1 1 A 137 137 ARG H H 137 8.535 8.633 -0.098 1
1 1682 . 8 1 1 A 137 137 ARG CA C 137 56.339 55.343 0.996 1
1 1683 . 8 1 1 A 137 137 ARG HA H 137 4.402 4.142 0.260 1
1 1684 . 8 1 1 A 137 137 ARG CB C 137 30.696 31.213 -0.517 1
1 1695 . 8 1 1 A 137 137 ARG C C 137 176.646 177.639 -0.993 1
1 1696 . 8 1 1 A 138 138 ALA N N 138 126.694 126.625 0.069 1
1 1697 . 8 1 1 A 138 138 ALA H H 138 8.353 8.520 -0.167 1
1 1698 . 8 1 1 A 138 138 ALA CA C 138 52.808 54.541 -1.733 1
1 1699 . 8 1 1 A 138 138 ALA HA H 138 4.134 3.987 0.147 1
1 1700 . 8 1 1 A 138 138 ALA CB C 138 19.536 18.277 1.259 1
1 1704 . 8 1 1 A 138 138 ALA C C 138 177.637 178.935 -1.298 1
1 1705 . 8 1 1 A 139 139 GLU N N 139 119.890 116.048 3.842 1
1 1706 . 8 1 1 A 139 139 GLU H H 139 8.615 8.128 0.487 1
1 1707 . 8 1 1 A 139 139 GLU CA C 139 56.586 58.948 -2.362 1
1 1708 . 8 1 1 A 139 139 GLU HA H 139 4.268 4.093 0.175 1
1 1709 . 8 1 1 A 139 139 GLU CB C 139 30.137 28.951 1.186 1
1 1715 . 8 1 1 A 139 139 GLU C C 139 176.488 178.139 -1.651 1
1 1716 . 8 1 1 A 140 140 LEU N N 140 123.350 118.793 4.557 1
1 1717 . 8 1 1 A 140 140 LEU H H 140 8.224 7.632 0.592 1
1 1718 . 8 1 1 A 140 140 LEU CA C 140 55.185 57.078 -1.893 1
1 1719 . 8 1 1 A 140 140 LEU HA H 140 4.339 4.275 0.064 1
1 1720 . 8 1 1 A 140 140 LEU CB C 140 42.294 42.636 -0.342 1
1 1733 . 8 1 1 A 140 140 LEU C C 140 177.456 177.259 0.197 1
1 1734 . 8 1 1 A 141 141 LYS N N 141 122.155 121.457 0.698 1
1 1735 . 8 1 1 A 141 141 LYS H H 141 8.239 7.158 1.081 1
1 1736 . 8 1 1 A 141 141 LYS CA C 141 56.480 56.680 -0.200 1
1 1737 . 8 1 1 A 141 141 LYS HA H 141 4.309 4.238 0.071 1
1 1738 . 8 1 1 A 141 141 LYS CB C 141 32.976 32.940 0.036 1
1 1750 . 8 1 1 A 141 141 LYS C C 141 176.734 175.493 1.241 1
1 1751 . 8 1 1 A 142 142 SER N N 142 116.816 122.674 -5.858 1
1 1752 . 8 1 1 A 142 142 SER H H 142 8.369 8.706 -0.337 1
1 1753 . 8 1 1 A 142 142 SER CA C 142 58.425 57.449 0.976 1
1 1754 . 8 1 1 A 142 142 SER HA H 142 4.529 5.019 -0.490 1
1 1755 . 8 1 1 A 142 142 SER CB C 142 63.836 66.573 -2.737 1
1 1758 . 8 1 1 A 142 142 SER C C 142 175.185 173.040 2.145 1
1 1759 . 8 1 1 A 143 143 THR N N 143 115.566 118.563 -2.997 1
1 1760 . 8 1 1 A 143 143 THR H H 143 8.235 8.585 -0.350 1
1 1761 . 8 1 1 A 143 143 THR CA C 143 61.999 62.858 -0.859 1
1 1762 . 8 1 1 A 143 143 THR HA H 143 4.389 4.301 0.088 1
1 1763 . 8 1 1 A 143 143 THR CB C 143 69.634 69.542 0.092 1
1 1769 . 8 1 1 A 143 143 THR C C 143 174.937 173.696 1.241 1
1 1770 . 8 1 1 A 144 144 GLN N N 144 122.469 123.604 -1.135 1
1 1771 . 8 1 1 A 144 144 GLN H H 144 8.345 8.463 -0.118 1
1 1772 . 8 1 1 A 144 144 GLN CA C 144 56.480 54.890 1.590 1
1 1773 . 8 1 1 A 144 144 GLN HA H 144 4.307 4.391 -0.084 1
1 1774 . 8 1 1 A 144 144 GLN CB C 144 29.307 29.565 -0.258 1
1 1783 . 8 1 1 A 144 144 GLN C C 144 176.536 175.671 0.865 1
1 1784 . 8 1 1 A 145 145 GLY N N 145 110.021 107.230 2.791 1
1 1785 . 8 1 1 A 145 145 GLY H H 145 8.461 8.578 -0.117 1
1 1786 . 8 1 1 A 145 145 GLY CA C 145 45.355 45.425 -0.070 1
1 1787 . 8 1 1 A 145 145 GLY HA2 H 145 3.967 4.141 -0.174 1
1 1788 . 8 1 1 A 145 145 GLY HA3 H 145 3.967 4.142 -0.175 1
1 1789 . 8 1 1 A 145 145 GLY C C 145 174.123 172.154 1.969 1
1 1790 . 8 1 1 A 146 146 MET N N 146 119.836 125.181 -5.345 1
1 1791 . 8 1 1 A 146 146 MET H H 146 8.197 9.077 -0.880 1
1 1792 . 8 1 1 A 146 146 MET CA C 146 55.594 54.097 1.497 1
1 1793 . 8 1 1 A 146 146 MET HA H 146 4.538 5.158 -0.620 1
1 1794 . 8 1 1 A 146 146 MET CB C 146 33.090 35.286 -2.196 1
1 1804 . 8 1 1 A 146 146 MET C C 146 176.454 174.239 2.215 1
1 1805 . 8 1 1 A 147 147 THR N N 147 116.248 122.230 -5.982 1
1 1806 . 8 1 1 A 147 147 THR H H 147 8.239 8.983 -0.744 1
1 1807 . 8 1 1 A 147 147 THR CA C 147 61.959 60.516 1.443 1
1 1808 . 8 1 1 A 147 147 THR HA H 147 4.318 5.062 -0.744 1
1 1809 . 8 1 1 A 147 147 THR CB C 147 69.875 71.573 -1.698 1
1 1815 . 8 1 1 A 147 147 THR C C 147 174.141 173.243 0.898 1
1 1816 . 8 1 1 A 148 148 LYS N N 148 125.399 127.818 -2.419 1
1 1817 . 8 1 1 A 148 148 LYS H H 148 8.387 8.401 -0.014 1
1 1818 . 8 1 1 A 148 148 LYS CA C 148 54.186 53.276 0.910 1
1 1819 . 8 1 1 A 148 148 LYS HA H 148 4.617 4.591 0.026 1
1 1820 . 8 1 1 A 148 148 LYS CB C 148 32.651 35.922 -3.271 1
1 1832 . 8 1 1 A 148 148 LYS C C 148 174.388 175.233 -0.845 1
1 1833 . 8 1 1 A 149 149 PRO CA C 149 63.178 64.741 -1.563 1
1 1834 . 8 1 1 A 149 149 PRO HA H 149 4.406 4.382 0.024 1
1 1835 . 8 1 1 A 149 149 PRO CB C 149 32.164 31.826 0.338 1
1 1844 . 8 1 1 A 150 150 HIS CA C 150 56.264 56.956 -0.692 1
1 1845 . 8 1 1 A 150 150 HIS HA H 150 4.626 4.188 0.438 1
1 1846 . 8 1 1 A 150 150 HIS CB C 150 30.574 28.005 2.569 1
1 1852 . 8 1 1 A 151 151 SER CA C 151 58.018 58.082 -0.064 1
1 1853 . 8 1 1 A 151 151 SER HA H 151 4.475 4.635 -0.160 1
1 1854 . 8 1 1 A 151 151 SER CB C 151 64.139 64.157 -0.018 1
1 1856 . 8 1 1 A 151 151 SER C C 151 174.253 174.124 0.129 1
1 1857 . 8 1 1 A 152 152 GLY N N 152 110.964 113.244 -2.280 1
1 1858 . 8 1 1 A 152 152 GLY H H 152 8.276 8.283 -0.007 1
1 1859 . 8 1 1 A 152 152 GLY CA C 152 44.637 45.507 -0.870 1
1 1860 . 8 1 1 A 152 152 GLY HA2 H 152 4.120 4.096 0.024 1
1 1861 . 8 1 1 A 152 152 GLY HA3 H 152 4.120 4.134 -0.014 1
1 1862 . 8 1 1 A 152 152 GLY C C 152 171.668 170.821 0.847 1
1 1863 . 8 1 1 A 153 153 PRO CA C 153 63.147 62.800 0.347 1
1 1864 . 8 1 1 A 153 153 PRO HA H 153 4.425 4.661 -0.236 1
1 1865 . 8 1 1 A 153 153 PRO CB C 153 32.149 33.062 -0.913 1
1 1874 . 8 1 1 A 153 153 PRO C C 153 176.656 175.834 0.822 1
1 1875 . 8 1 1 A 154 154 ASP N N 154 120.420 119.203 1.217 1
1 1876 . 8 1 1 A 154 154 ASP H H 154 8.463 8.492 -0.029 1
1 1877 . 8 1 1 A 154 154 ASP CA C 154 54.429 52.471 1.958 1
1 1878 . 8 1 1 A 154 154 ASP HA H 154 4.575 5.117 -0.542 1
1 1879 . 8 1 1 A 154 154 ASP CB C 154 40.979 43.908 -2.929 1
1 1882 . 8 1 1 A 154 154 ASP C C 154 176.163 175.545 0.618 1
1 1883 . 8 1 1 A 155 155 LEU N N 155 123.563 120.616 2.947 1
1 1884 . 8 1 1 A 155 155 LEU H H 155 8.266 9.017 -0.751 1
1 1885 . 8 1 1 A 155 155 LEU CA C 155 55.022 55.871 -0.849 1
1 1886 . 8 1 1 A 155 155 LEU HA H 155 4.358 3.967 0.391 1
1 1887 . 8 1 1 A 155 155 LEU CB C 155 42.157 41.104 1.053 1
1 1900 . 8 1 1 A 155 155 LEU C C 155 176.990 176.069 0.921 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.655 57.539 1.116 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.501 4.758 -0.257 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.644 64.903 -1.259 1
1 6 . 9 1 1 A 6 6 SER C C 6 175.063 174.862 0.201 1
1 7 . 9 1 1 A 7 7 GLY N N 7 111.113 108.761 2.352 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.473 8.472 0.001 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.373 46.907 -1.534 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 3.967 3.930 0.037 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 3.967 3.931 0.036 1
1 12 . 9 1 1 A 7 7 GLY C C 7 173.934 173.360 0.574 1
1 13 . 9 1 1 A 8 8 ALA N N 8 123.788 123.532 0.256 1
1 14 . 9 1 1 A 8 8 ALA H H 8 8.197 7.786 0.411 1
1 15 . 9 1 1 A 8 8 ALA CA C 8 52.548 51.481 1.067 1
1 16 . 9 1 1 A 8 8 ALA HA H 8 4.342 4.952 -0.610 1
1 17 . 9 1 1 A 8 8 ALA CB C 8 19.403 22.297 -2.894 1
1 21 . 9 1 1 A 8 8 ALA C C 8 177.902 175.528 2.374 1
1 22 . 9 1 1 A 9 9 GLU N N 9 120.004 122.617 -2.613 1
1 23 . 9 1 1 A 9 9 GLU H H 9 8.524 9.017 -0.493 1
1 24 . 9 1 1 A 9 9 GLU CA C 9 56.763 55.060 1.703 1
1 25 . 9 1 1 A 9 9 GLU HA H 9 4.308 5.169 -0.861 1
1 26 . 9 1 1 A 9 9 GLU CB C 9 30.161 31.250 -1.089 1
1 32 . 9 1 1 A 9 9 GLU C C 9 176.646 174.670 1.976 1
1 33 . 9 1 1 A 10 10 SER N N 10 116.268 123.178 -6.910 1
1 34 . 9 1 1 A 10 10 SER H H 10 8.305 9.146 -0.841 1
1 35 . 9 1 1 A 10 10 SER CA C 10 58.426 57.435 0.991 1
1 36 . 9 1 1 A 10 10 SER HA H 10 4.429 4.810 -0.381 1
1 37 . 9 1 1 A 10 10 SER CB C 10 63.933 64.130 -0.197 1
1 40 . 9 1 1 A 10 10 SER C C 10 174.267 174.864 -0.597 1
1 41 . 9 1 1 A 11 11 GLU N N 11 122.435 125.577 -3.142 1
1 42 . 9 1 1 A 11 11 GLU H H 11 8.368 8.447 -0.079 1
1 43 . 9 1 1 A 11 11 GLU CA C 11 56.233 57.293 -1.060 1
1 44 . 9 1 1 A 11 11 GLU HA H 11 4.367 4.303 0.064 1
1 45 . 9 1 1 A 11 11 GLU CB C 11 30.692 30.570 0.122 1
1 51 . 9 1 1 A 11 11 GLU C C 11 175.800 176.754 -0.954 1
1 52 . 9 1 1 A 12 12 SER N N 12 116.596 117.331 -0.735 1
1 53 . 9 1 1 A 12 12 SER H H 12 8.299 8.634 -0.335 1
1 54 . 9 1 1 A 12 12 SER CA C 12 58.355 58.292 0.063 1
1 55 . 9 1 1 A 12 12 SER HA H 12 4.457 4.793 -0.336 1
1 56 . 9 1 1 A 12 12 SER CB C 12 64.573 64.719 -0.146 1
1 59 . 9 1 1 A 12 12 SER C C 12 173.309 173.565 -0.256 1
1 60 . 9 1 1 A 13 13 PHE N N 13 121.293 119.451 1.842 1
1 61 . 9 1 1 A 13 13 PHE H H 13 8.346 9.025 -0.679 1
1 62 . 9 1 1 A 13 13 PHE CA C 13 56.851 56.120 0.731 1
1 63 . 9 1 1 A 13 13 PHE HA H 13 5.384 5.302 0.082 1
1 64 . 9 1 1 A 13 13 PHE CB C 13 42.542 43.427 -0.885 1
1 77 . 9 1 1 A 13 13 PHE C C 13 174.500 174.694 -0.194 1
1 78 . 9 1 1 A 14 14 VAL N N 14 116.020 116.163 -0.143 1
1 79 . 9 1 1 A 14 14 VAL H H 14 9.313 9.209 0.104 1
1 80 . 9 1 1 A 14 14 VAL CA C 14 60.141 59.415 0.726 1
1 81 . 9 1 1 A 14 14 VAL HA H 14 4.455 4.881 -0.426 1
1 82 . 9 1 1 A 14 14 VAL CB C 14 36.318 36.444 -0.126 1
1 92 . 9 1 1 A 14 14 VAL C C 14 174.668 174.380 0.288 1
1 93 . 9 1 1 A 15 15 LEU N N 15 121.725 121.032 0.693 1
1 94 . 9 1 1 A 15 15 LEU H H 15 8.476 8.645 -0.169 1
1 95 . 9 1 1 A 15 15 LEU CA C 15 54.800 52.643 2.157 1
1 96 . 9 1 1 A 15 15 LEU HA H 15 4.403 4.935 -0.532 1
1 97 . 9 1 1 A 15 15 LEU CB C 15 39.816 43.627 -3.811 1
1 110 . 9 1 1 A 15 15 LEU C C 15 177.001 176.351 0.650 1
1 111 . 9 1 1 A 16 16 ASP N N 16 126.576 125.000 1.576 1
1 112 . 9 1 1 A 16 16 ASP H H 16 8.766 8.787 -0.021 1
1 113 . 9 1 1 A 16 16 ASP CA C 16 52.828 53.523 -0.695 1
1 114 . 9 1 1 A 16 16 ASP HA H 16 5.081 4.811 0.270 1
1 115 . 9 1 1 A 16 16 ASP CB C 16 42.268 41.176 1.092 1
1 118 . 9 1 1 A 16 16 ASP C C 16 174.640 175.773 -1.133 1
1 119 . 9 1 1 A 17 17 PHE N N 17 112.958 117.531 -4.573 1
1 120 . 9 1 1 A 17 17 PHE H H 17 6.915 7.098 -0.183 1
1 121 . 9 1 1 A 17 17 PHE CA C 17 55.489 55.407 0.082 1
1 122 . 9 1 1 A 17 17 PHE HA H 17 4.938 5.423 -0.485 1
1 123 . 9 1 1 A 17 17 PHE CB C 17 39.154 42.035 -2.881 1
1 136 . 9 1 1 A 17 17 PHE C C 17 173.746 173.296 0.450 1
1 137 . 9 1 1 A 18 18 SER N N 18 114.977 114.195 0.782 1
1 138 . 9 1 1 A 18 18 SER H H 18 8.569 8.853 -0.284 1
1 139 . 9 1 1 A 18 18 SER CA C 18 57.046 56.792 0.254 1
1 140 . 9 1 1 A 18 18 SER HA H 18 4.670 4.988 -0.318 1
1 141 . 9 1 1 A 18 18 SER CB C 18 63.974 64.374 -0.400 1
1 144 . 9 1 1 A 18 18 SER C C 18 175.437 174.689 0.748 1
1 145 . 9 1 1 A 19 19 GLN N N 19 123.586 123.319 0.267 1
1 146 . 9 1 1 A 19 19 GLN H H 19 9.033 8.492 0.541 1
1 147 . 9 1 1 A 19 19 GLN CA C 19 54.023 55.077 -1.054 1
1 148 . 9 1 1 A 19 19 GLN HA H 19 4.558 4.464 0.094 1
1 149 . 9 1 1 A 19 19 GLN CB C 19 27.994 28.607 -0.613 1
1 158 . 9 1 1 A 19 19 GLN C C 19 177.642 176.388 1.254 1
1 159 . 9 1 1 A 20 20 PRO CA C 20 65.836 65.495 0.341 1
1 160 . 9 1 1 A 20 20 PRO HA H 20 4.370 4.510 -0.140 1
1 161 . 9 1 1 A 20 20 PRO CB C 20 32.556 32.126 0.430 1
1 170 . 9 1 1 A 20 20 PRO C C 20 178.374 178.036 0.338 1
1 171 . 9 1 1 A 21 21 SER N N 21 104.386 112.055 -7.669 1
1 172 . 9 1 1 A 21 21 SER H H 21 7.216 7.957 -0.741 1
1 173 . 9 1 1 A 21 21 SER CA C 21 58.886 61.191 -2.305 1
1 174 . 9 1 1 A 21 21 SER HA H 21 3.271 3.937 -0.666 1
1 175 . 9 1 1 A 21 21 SER CB C 21 62.401 62.861 -0.460 1
1 178 . 9 1 1 A 21 21 SER C C 21 174.423 176.639 -2.216 1
1 179 . 9 1 1 A 22 22 ALA N N 22 123.008 122.917 0.091 1
1 180 . 9 1 1 A 22 22 ALA H H 22 7.700 7.954 -0.254 1
1 181 . 9 1 1 A 22 22 ALA CA C 22 53.968 55.167 -1.199 1
1 182 . 9 1 1 A 22 22 ALA HA H 22 4.198 4.113 0.085 1
1 183 . 9 1 1 A 22 22 ALA CB C 22 18.504 18.926 -0.422 1
1 187 . 9 1 1 A 22 22 ALA C C 22 177.624 177.323 0.301 1
1 188 . 9 1 1 A 23 23 ASP N N 23 117.789 117.931 -0.142 1
1 189 . 9 1 1 A 23 23 ASP H H 23 7.080 8.045 -0.965 1
1 190 . 9 1 1 A 23 23 ASP CA C 23 52.151 53.056 -0.905 1
1 191 . 9 1 1 A 23 23 ASP HA H 23 4.893 4.895 -0.002 1
1 192 . 9 1 1 A 23 23 ASP CB C 23 40.592 41.597 -1.005 1
1 195 . 9 1 1 A 23 23 ASP C C 23 175.032 175.852 -0.820 1
1 196 . 9 1 1 A 24 24 TYR N N 24 123.295 126.706 -3.411 1
1 197 . 9 1 1 A 24 24 TYR H H 24 8.217 8.966 -0.749 1
1 198 . 9 1 1 A 24 24 TYR CA C 24 61.711 61.519 0.192 1
1 199 . 9 1 1 A 24 24 TYR HA H 24 4.196 4.012 0.184 1
1 200 . 9 1 1 A 24 24 TYR CB C 24 38.456 38.914 -0.458 1
1 211 . 9 1 1 A 24 24 TYR C C 24 177.434 177.425 0.009 1
1 212 . 9 1 1 A 25 25 LEU N N 25 119.429 121.197 -1.768 1
1 213 . 9 1 1 A 25 25 LEU H H 25 8.074 8.449 -0.375 1
1 214 . 9 1 1 A 25 25 LEU CA C 25 57.691 58.453 -0.762 1
1 215 . 9 1 1 A 25 25 LEU HA H 25 3.967 3.922 0.045 1
1 216 . 9 1 1 A 25 25 LEU CB C 25 41.388 41.482 -0.094 1
1 229 . 9 1 1 A 25 25 LEU C C 25 178.768 178.430 0.338 1
1 230 . 9 1 1 A 26 26 ASP N N 26 119.881 118.794 1.087 1
1 231 . 9 1 1 A 26 26 ASP H H 26 7.561 8.280 -0.719 1
1 232 . 9 1 1 A 26 26 ASP CA C 26 57.625 57.054 0.571 1
1 233 . 9 1 1 A 26 26 ASP HA H 26 4.367 4.268 0.099 1
1 234 . 9 1 1 A 26 26 ASP CB C 26 42.955 41.773 1.182 1
1 237 . 9 1 1 A 26 26 ASP C C 26 177.657 178.411 -0.754 1
1 238 . 9 1 1 A 27 27 PHE N N 27 118.946 120.482 -1.536 1
1 239 . 9 1 1 A 27 27 PHE H H 27 8.750 8.359 0.391 1
1 240 . 9 1 1 A 27 27 PHE CA C 27 61.323 61.425 -0.102 1
1 241 . 9 1 1 A 27 27 PHE HA H 27 4.088 4.088 0.000 1
1 242 . 9 1 1 A 27 27 PHE CB C 27 39.606 39.332 0.274 1
1 255 . 9 1 1 A 27 27 PHE C C 27 176.662 177.182 -0.520 1
1 256 . 9 1 1 A 28 28 ARG N N 28 116.744 118.606 -1.862 1
1 257 . 9 1 1 A 28 28 ARG H H 28 8.079 8.440 -0.361 1
1 258 . 9 1 1 A 28 28 ARG CA C 28 59.051 58.675 0.376 1
1 259 . 9 1 1 A 28 28 ARG HA H 28 3.590 4.092 -0.502 1
1 260 . 9 1 1 A 28 28 ARG CB C 28 29.516 30.233 -0.717 1
1 269 . 9 1 1 A 28 28 ARG C C 28 179.306 178.267 1.039 1
1 270 . 9 1 1 A 29 29 ASN N N 29 119.381 117.993 1.388 1
1 271 . 9 1 1 A 29 29 ASN H H 29 8.106 8.629 -0.523 1
1 272 . 9 1 1 A 29 29 ASN CA C 29 55.861 55.590 0.271 1
1 273 . 9 1 1 A 29 29 ASN HA H 29 4.361 4.456 -0.095 1
1 274 . 9 1 1 A 29 29 ASN CB C 29 37.622 38.304 -0.682 1
1 280 . 9 1 1 A 29 29 ASN C C 29 178.555 178.291 0.264 1
1 281 . 9 1 1 A 30 30 ARG N N 30 123.244 120.210 3.034 1
1 282 . 9 1 1 A 30 30 ARG H H 30 8.640 7.889 0.751 1
1 283 . 9 1 1 A 30 30 ARG CA C 30 59.708 58.349 1.359 1
1 284 . 9 1 1 A 30 30 ARG HA H 30 3.912 4.047 -0.135 1
1 285 . 9 1 1 A 30 30 ARG CB C 30 30.910 29.750 1.160 1
1 296 . 9 1 1 A 30 30 ARG C C 30 178.651 178.112 0.539 1
1 297 . 9 1 1 A 31 31 LEU N N 31 119.911 121.703 -1.792 1
1 298 . 9 1 1 A 31 31 LEU H H 31 7.988 7.583 0.405 1
1 299 . 9 1 1 A 31 31 LEU CA C 31 58.049 56.556 1.493 1
1 300 . 9 1 1 A 31 31 LEU HA H 31 3.409 3.930 -0.521 1
1 301 . 9 1 1 A 31 31 LEU CB C 31 41.342 41.700 -0.358 1
1 314 . 9 1 1 A 31 31 LEU C C 31 178.698 177.928 0.770 1
1 315 . 9 1 1 A 32 32 GLN N N 32 114.904 117.990 -3.086 1
1 316 . 9 1 1 A 32 32 GLN H H 32 7.416 7.732 -0.316 1
1 317 . 9 1 1 A 32 32 GLN CA C 32 58.019 57.263 0.756 1
1 318 . 9 1 1 A 32 32 GLN HA H 32 3.891 4.164 -0.273 1
1 319 . 9 1 1 A 32 32 GLN CB C 32 28.679 29.200 -0.521 1
1 328 . 9 1 1 A 32 32 GLN C C 32 176.457 176.895 -0.438 1
1 329 . 9 1 1 A 33 33 ALA N N 33 119.088 120.875 -1.787 1
1 330 . 9 1 1 A 33 33 ALA H H 33 7.791 7.630 0.161 1
1 331 . 9 1 1 A 33 33 ALA CA C 33 54.057 53.104 0.953 1
1 332 . 9 1 1 A 33 33 ALA HA H 33 4.099 4.119 -0.020 1
1 333 . 9 1 1 A 33 33 ALA CB C 33 19.921 19.130 0.791 1
1 337 . 9 1 1 A 33 33 ALA C C 33 178.303 177.733 0.570 1
1 338 . 9 1 1 A 34 34 ASP N N 34 115.377 117.168 -1.791 1
1 339 . 9 1 1 A 34 34 ASP H H 34 8.662 7.671 0.991 1
1 340 . 9 1 1 A 34 34 ASP CA C 34 55.153 53.334 1.819 1
1 341 . 9 1 1 A 34 34 ASP HA H 34 4.698 4.575 0.123 1
1 342 . 9 1 1 A 34 34 ASP CB C 34 41.976 41.553 0.423 1
1 345 . 9 1 1 A 34 34 ASP C C 34 177.531 175.402 2.129 1
1 346 . 9 1 1 A 35 35 HIS N N 35 108.110 116.151 -8.041 1
1 347 . 9 1 1 A 35 35 HIS H H 35 7.018 7.667 -0.649 1
1 348 . 9 1 1 A 35 35 HIS CA C 35 58.336 56.822 1.514 1
1 349 . 9 1 1 A 35 35 HIS HA H 35 4.543 4.387 0.156 1
1 350 . 9 1 1 A 35 35 HIS CB C 35 26.472 26.571 -0.099 1
1 357 . 9 1 1 A 35 35 HIS C C 35 171.507 173.367 -1.860 1
1 358 . 9 1 1 A 36 36 VAL N N 36 115.529 116.635 -1.106 1
1 359 . 9 1 1 A 36 36 VAL H H 36 7.065 7.388 -0.323 1
1 360 . 9 1 1 A 36 36 VAL CA C 36 58.549 60.648 -2.099 1
1 361 . 9 1 1 A 36 36 VAL HA H 36 4.867 4.417 0.450 1
1 362 . 9 1 1 A 36 36 VAL CB C 36 33.135 34.316 -1.181 1
1 372 . 9 1 1 A 36 36 VAL C C 36 171.953 173.658 -1.705 1
1 373 . 9 1 1 A 37 37 CYS N N 37 124.685 125.027 -0.342 1
1 374 . 9 1 1 A 37 37 CYS H H 37 8.694 8.288 0.406 1
1 375 . 9 1 1 A 37 37 CYS CA C 37 59.979 58.178 1.801 1
1 376 . 9 1 1 A 37 37 CYS HA H 37 4.594 4.801 -0.207 1
1 377 . 9 1 1 A 37 37 CYS CB C 37 29.016 30.992 -1.976 1
1 380 . 9 1 1 A 37 37 CYS C C 37 173.445 172.936 0.509 1
1 381 . 9 1 1 A 38 38 LEU N N 38 132.291 127.942 4.349 1
1 382 . 9 1 1 A 38 38 LEU H H 38 9.625 8.813 0.812 1
1 383 . 9 1 1 A 38 38 LEU CA C 38 57.958 55.468 2.490 1
1 384 . 9 1 1 A 38 38 LEU HA H 38 4.167 4.607 -0.440 1
1 385 . 9 1 1 A 38 38 LEU CB C 38 42.189 42.639 -0.450 1
1 398 . 9 1 1 A 38 38 LEU C C 38 173.188 177.154 -3.966 1
1 399 . 9 1 1 A 39 39 GLU N N 39 127.988 128.481 -0.493 1
1 400 . 9 1 1 A 39 39 GLU H H 39 9.267 9.591 -0.324 1
1 401 . 9 1 1 A 39 39 GLU CA C 39 57.435 58.737 -1.302 1
1 402 . 9 1 1 A 39 39 GLU HA H 39 4.521 4.481 0.040 1
1 403 . 9 1 1 A 39 39 GLU CB C 39 31.891 30.254 1.637 1
1 409 . 9 1 1 A 39 39 GLU C C 39 175.300 176.498 -1.198 1
1 410 . 9 1 1 A 40 40 ASN N N 40 115.109 113.236 1.873 1
1 411 . 9 1 1 A 40 40 ASN H H 40 7.757 7.859 -0.102 1
1 412 . 9 1 1 A 40 40 ASN CA C 40 52.151 51.631 0.520 1
1 413 . 9 1 1 A 40 40 ASN HA H 40 5.353 5.333 0.020 1
1 414 . 9 1 1 A 40 40 ASN CB C 40 43.324 41.722 1.602 1
1 420 . 9 1 1 A 40 40 ASN C C 40 173.918 173.280 0.638 1
1 421 . 9 1 1 A 41 41 CYS N N 41 120.861 119.815 1.046 1
1 422 . 9 1 1 A 41 41 CYS H H 41 9.646 9.153 0.493 1
1 423 . 9 1 1 A 41 41 CYS CA C 41 58.934 57.402 1.532 1
1 424 . 9 1 1 A 41 41 CYS HA H 41 5.167 5.129 0.038 1
1 425 . 9 1 1 A 41 41 CYS CB C 41 30.293 29.497 0.796 1
1 428 . 9 1 1 A 41 41 CYS C C 41 171.600 173.742 -2.142 1
1 429 . 9 1 1 A 42 42 VAL N N 42 126.721 123.608 3.113 1
1 430 . 9 1 1 A 42 42 VAL H H 42 9.532 8.875 0.657 1
1 431 . 9 1 1 A 42 42 VAL CA C 42 60.463 60.105 0.358 1
1 432 . 9 1 1 A 42 42 VAL HA H 42 4.454 4.888 -0.434 1
1 433 . 9 1 1 A 42 42 VAL CB C 42 35.496 33.749 1.747 1
1 443 . 9 1 1 A 42 42 VAL C C 42 173.645 174.217 -0.572 1
1 444 . 9 1 1 A 43 43 LEU N N 43 127.183 123.508 3.675 1
1 445 . 9 1 1 A 43 43 LEU H H 43 8.597 8.781 -0.184 1
1 446 . 9 1 1 A 43 43 LEU CA C 43 54.209 53.543 0.666 1
1 447 . 9 1 1 A 43 43 LEU HA H 43 5.050 5.193 -0.143 1
1 448 . 9 1 1 A 43 43 LEU CB C 43 43.450 46.648 -3.198 1
1 461 . 9 1 1 A 43 43 LEU C C 43 176.151 174.715 1.436 1
1 462 . 9 1 1 A 44 44 LYS N N 44 127.086 124.304 2.782 1
1 463 . 9 1 1 A 44 44 LYS H H 44 8.726 8.985 -0.259 1
1 464 . 9 1 1 A 44 44 LYS CA C 44 55.033 54.244 0.789 1
1 465 . 9 1 1 A 44 44 LYS HA H 44 4.552 4.873 -0.321 1
1 466 . 9 1 1 A 44 44 LYS CB C 44 34.147 36.328 -2.181 1
1 478 . 9 1 1 A 44 44 LYS C C 44 175.176 176.135 -0.959 1
1 479 . 9 1 1 A 45 45 ASP N N 45 123.045 120.429 2.616 1
1 480 . 9 1 1 A 45 45 ASP H H 45 8.876 8.630 0.246 1
1 481 . 9 1 1 A 45 45 ASP CA C 45 56.515 55.127 1.388 1
1 482 . 9 1 1 A 45 45 ASP HA H 45 4.321 4.330 -0.009 1
1 483 . 9 1 1 A 45 45 ASP CB C 45 39.782 40.620 -0.838 1
1 486 . 9 1 1 A 45 45 ASP C C 45 175.339 176.546 -1.207 1
1 487 . 9 1 1 A 46 46 LYS N N 46 118.201 121.387 -3.186 1
1 488 . 9 1 1 A 46 46 LYS H H 46 8.620 9.089 -0.469 1
1 489 . 9 1 1 A 46 46 LYS CA C 46 56.158 57.193 -1.035 1
1 490 . 9 1 1 A 46 46 LYS HA H 46 4.079 3.792 0.287 1
1 491 . 9 1 1 A 46 46 LYS CB C 46 30.929 30.108 0.821 1
1 503 . 9 1 1 A 46 46 LYS C C 46 174.615 175.169 -0.554 1
1 504 . 9 1 1 A 47 47 ALA N N 47 121.283 117.742 3.541 1
1 505 . 9 1 1 A 47 47 ALA H H 47 7.611 7.191 0.420 1
1 506 . 9 1 1 A 47 47 ALA CA C 47 51.809 51.564 0.245 1
1 507 . 9 1 1 A 47 47 ALA HA H 47 5.105 4.969 0.136 1
1 508 . 9 1 1 A 47 47 ALA CB C 47 22.739 23.012 -0.273 1
1 512 . 9 1 1 A 47 47 ALA C C 47 175.508 175.124 0.384 1
1 513 . 9 1 1 A 48 48 ILE N N 48 114.639 114.944 -0.305 1
1 514 . 9 1 1 A 48 48 ILE H H 48 8.819 8.576 0.243 1
1 515 . 9 1 1 A 48 48 ILE CA C 48 59.017 59.097 -0.080 1
1 516 . 9 1 1 A 48 48 ILE HA H 48 5.230 5.134 0.096 1
1 517 . 9 1 1 A 48 48 ILE CB C 48 41.811 42.559 -0.748 1
1 530 . 9 1 1 A 48 48 ILE C C 48 172.954 174.503 -1.549 1
1 531 . 9 1 1 A 49 49 ALA N N 49 126.155 122.484 3.671 1
1 532 . 9 1 1 A 49 49 ALA H H 49 8.652 8.142 0.510 1
1 533 . 9 1 1 A 49 49 ALA CA C 49 50.095 51.327 -1.232 1
1 534 . 9 1 1 A 49 49 ALA HA H 49 4.769 4.926 -0.157 1
1 535 . 9 1 1 A 49 49 ALA CB C 49 22.651 21.821 0.830 1
1 539 . 9 1 1 A 49 49 ALA C C 49 175.812 175.661 0.151 1
1 540 . 9 1 1 A 50 50 GLY N N 50 105.980 107.137 -1.157 1
1 541 . 9 1 1 A 50 50 GLY H H 50 6.754 7.037 -0.283 1
1 542 . 9 1 1 A 50 50 GLY CA C 50 46.134 45.095 1.039 1
1 543 . 9 1 1 A 50 50 GLY HA2 H 50 3.803 3.828 -0.025 1
1 544 . 9 1 1 A 50 50 GLY HA3 H 50 4.077 3.993 0.084 1
1 545 . 9 1 1 A 50 50 GLY C C 50 172.510 172.242 0.268 1
1 546 . 9 1 1 A 51 51 THR N N 51 108.648 110.831 -2.183 1
1 547 . 9 1 1 A 51 51 THR H H 51 8.556 8.827 -0.271 1
1 548 . 9 1 1 A 51 51 THR CA C 51 59.116 59.861 -0.745 1
1 549 . 9 1 1 A 51 51 THR HA H 51 5.588 5.496 0.092 1
1 550 . 9 1 1 A 51 51 THR CB C 51 72.737 70.762 1.975 1
1 556 . 9 1 1 A 51 51 THR C C 51 174.087 173.847 0.240 1
1 557 . 9 1 1 A 52 52 VAL N N 52 122.025 124.588 -2.563 1
1 558 . 9 1 1 A 52 52 VAL H H 52 9.746 9.639 0.107 1
1 559 . 9 1 1 A 52 52 VAL CA C 52 61.371 60.831 0.540 1
1 560 . 9 1 1 A 52 52 VAL HA H 52 4.463 4.893 -0.430 1
1 561 . 9 1 1 A 52 52 VAL CB C 52 36.986 34.768 2.218 1
1 571 . 9 1 1 A 52 52 VAL C C 52 174.687 175.074 -0.387 1
1 572 . 9 1 1 A 53 53 LYS N N 53 125.115 126.928 -1.813 1
1 573 . 9 1 1 A 53 53 LYS H H 53 8.567 9.326 -0.759 1
1 574 . 9 1 1 A 53 53 LYS CA C 53 53.668 55.336 -1.668 1
1 575 . 9 1 1 A 53 53 LYS HA H 53 5.599 5.177 0.422 1
1 576 . 9 1 1 A 53 53 LYS CB C 53 37.855 34.870 2.985 1
1 588 . 9 1 1 A 53 53 LYS C C 53 174.697 176.063 -1.366 1
1 589 . 9 1 1 A 54 54 VAL N N 54 110.661 118.045 -7.384 1
1 590 . 9 1 1 A 54 54 VAL H H 54 8.498 8.887 -0.389 1
1 591 . 9 1 1 A 54 54 VAL CA C 54 57.682 58.879 -1.197 1
1 592 . 9 1 1 A 54 54 VAL HA H 54 4.825 4.507 0.318 1
1 593 . 9 1 1 A 54 54 VAL CB C 54 34.634 35.603 -0.969 1
1 603 . 9 1 1 A 54 54 VAL C C 54 176.105 174.168 1.937 1
1 604 . 9 1 1 A 55 55 GLN N N 55 119.414 121.258 -1.844 1
1 605 . 9 1 1 A 55 55 GLN H H 55 7.924 8.296 -0.372 1
1 606 . 9 1 1 A 55 55 GLN CA C 55 56.023 54.722 1.301 1
1 607 . 9 1 1 A 55 55 GLN HA H 55 4.456 4.646 -0.190 1
1 608 . 9 1 1 A 55 55 GLN CB C 55 30.216 30.442 -0.226 1
1 617 . 9 1 1 A 55 55 GLN C C 55 176.800 175.993 0.807 1
1 618 . 9 1 1 A 56 56 ASN N N 56 125.676 122.001 3.675 1
1 619 . 9 1 1 A 56 56 ASN H H 56 8.837 9.195 -0.358 1
1 620 . 9 1 1 A 56 56 ASN CA C 56 53.190 52.556 0.634 1
1 621 . 9 1 1 A 56 56 ASN HA H 56 4.575 4.901 -0.326 1
1 622 . 9 1 1 A 56 56 ASN CB C 56 36.855 36.623 0.232 1
1 628 . 9 1 1 A 56 56 ASN C C 56 174.747 175.283 -0.536 1
1 629 . 9 1 1 A 57 57 LEU N N 57 124.779 123.426 1.353 1
1 630 . 9 1 1 A 57 57 LEU H H 57 7.284 8.236 -0.952 1
1 631 . 9 1 1 A 57 57 LEU CA C 57 55.224 57.357 -2.133 1
1 632 . 9 1 1 A 57 57 LEU HA H 57 4.326 4.205 0.121 1
1 633 . 9 1 1 A 57 57 LEU CB C 57 43.634 42.643 0.991 1
1 646 . 9 1 1 A 57 57 LEU C C 57 176.186 176.997 -0.811 1
1 647 . 9 1 1 A 58 58 ALA N N 58 119.342 119.490 -0.148 1
1 648 . 9 1 1 A 58 58 ALA H H 58 7.724 7.544 0.180 1
1 649 . 9 1 1 A 58 58 ALA CA C 58 51.687 50.091 1.596 1
1 650 . 9 1 1 A 58 58 ALA HA H 58 4.343 4.726 -0.383 1
1 651 . 9 1 1 A 58 58 ALA CB C 58 21.122 21.454 -0.332 1
1 655 . 9 1 1 A 58 58 ALA C C 58 175.847 178.256 -2.409 1
1 656 . 9 1 1 A 59 59 PHE N N 59 118.235 118.011 0.224 1
1 657 . 9 1 1 A 59 59 PHE H H 59 8.231 8.927 -0.696 1
1 658 . 9 1 1 A 59 59 PHE CA C 59 60.105 61.114 -1.009 1
1 659 . 9 1 1 A 59 59 PHE HA H 59 4.428 4.217 0.211 1
1 660 . 9 1 1 A 59 59 PHE CB C 59 40.386 38.068 2.318 1
1 673 . 9 1 1 A 59 59 PHE C C 59 176.670 176.361 0.309 1
1 674 . 9 1 1 A 60 60 GLU N N 60 120.295 116.761 3.534 1
1 675 . 9 1 1 A 60 60 GLU H H 60 8.482 6.566 1.916 1
1 676 . 9 1 1 A 60 60 GLU CA C 60 57.134 54.672 2.462 1
1 677 . 9 1 1 A 60 60 GLU HA H 60 4.306 4.766 -0.460 1
1 678 . 9 1 1 A 60 60 GLU CB C 60 29.569 31.470 -1.901 1
1 684 . 9 1 1 A 60 60 GLU C C 60 175.584 175.410 0.174 1
1 685 . 9 1 1 A 61 61 LYS N N 61 123.512 119.479 4.033 1
1 686 . 9 1 1 A 61 61 LYS H H 61 8.377 8.379 -0.002 1
1 687 . 9 1 1 A 61 61 LYS CA C 61 55.939 54.669 1.270 1
1 688 . 9 1 1 A 61 61 LYS HA H 61 5.038 5.148 -0.110 1
1 689 . 9 1 1 A 61 61 LYS CB C 61 37.890 36.736 1.154 1
1 701 . 9 1 1 A 61 61 LYS C C 61 175.510 175.468 0.042 1
1 702 . 9 1 1 A 62 62 THR N N 62 117.107 116.938 0.169 1
1 703 . 9 1 1 A 62 62 THR H H 62 8.285 8.324 -0.039 1
1 704 . 9 1 1 A 62 62 THR CA C 62 62.340 61.767 0.573 1
1 705 . 9 1 1 A 62 62 THR HA H 62 4.435 4.712 -0.277 1
1 706 . 9 1 1 A 62 62 THR CB C 62 71.605 69.939 1.666 1
1 712 . 9 1 1 A 62 62 THR C C 62 172.156 173.159 -1.003 1
1 713 . 9 1 1 A 63 63 VAL N N 63 128.402 127.588 0.814 1
1 714 . 9 1 1 A 63 63 VAL H H 63 8.719 8.874 -0.155 1
1 715 . 9 1 1 A 63 63 VAL CA C 63 60.707 61.315 -0.608 1
1 716 . 9 1 1 A 63 63 VAL HA H 63 4.755 4.385 0.370 1
1 717 . 9 1 1 A 63 63 VAL CB C 63 35.210 32.076 3.134 1
1 727 . 9 1 1 A 63 63 VAL C C 63 174.313 175.647 -1.334 1
1 728 . 9 1 1 A 64 64 LYS N N 64 123.629 125.791 -2.162 1
1 729 . 9 1 1 A 64 64 LYS H H 64 8.519 8.393 0.126 1
1 730 . 9 1 1 A 64 64 LYS CA C 64 54.850 54.872 -0.022 1
1 731 . 9 1 1 A 64 64 LYS HA H 64 4.997 5.010 -0.013 1
1 732 . 9 1 1 A 64 64 LYS CB C 64 37.343 35.975 1.368 1
1 744 . 9 1 1 A 64 64 LYS C C 64 173.348 175.327 -1.979 1
1 745 . 9 1 1 A 65 65 ILE N N 65 119.250 124.408 -5.158 1
1 746 . 9 1 1 A 65 65 ILE H H 65 8.637 8.580 0.057 1
1 747 . 9 1 1 A 65 65 ILE CA C 65 57.894 60.339 -2.445 1
1 748 . 9 1 1 A 65 65 ILE HA H 65 4.451 4.689 -0.238 1
1 749 . 9 1 1 A 65 65 ILE CB C 65 37.638 38.892 -1.254 1
1 762 . 9 1 1 A 65 65 ILE C C 65 174.893 175.335 -0.442 1
1 763 . 9 1 1 A 66 66 ARG N N 66 130.193 126.842 3.351 1
1 764 . 9 1 1 A 66 66 ARG H H 66 9.244 8.586 0.658 1
1 765 . 9 1 1 A 66 66 ARG CA C 66 55.930 54.628 1.302 1
1 766 . 9 1 1 A 66 66 ARG HA H 66 5.440 4.999 0.441 1
1 767 . 9 1 1 A 66 66 ARG CB C 66 31.514 31.978 -0.464 1
1 778 . 9 1 1 A 66 66 ARG C C 66 174.161 174.321 -0.160 1
1 779 . 9 1 1 A 67 67 MET N N 67 128.046 125.575 2.471 1
1 780 . 9 1 1 A 67 67 MET H H 67 9.343 9.276 0.067 1
1 781 . 9 1 1 A 67 67 MET CA C 67 54.217 53.740 0.477 1
1 782 . 9 1 1 A 67 67 MET HA H 67 5.318 5.367 -0.049 1
1 783 . 9 1 1 A 67 67 MET CB C 67 37.533 35.939 1.594 1
1 793 . 9 1 1 A 67 67 MET C C 67 173.432 173.918 -0.486 1
1 794 . 9 1 1 A 68 68 THR N N 68 118.404 118.246 0.158 1
1 795 . 9 1 1 A 68 68 THR H H 68 8.474 8.534 -0.060 1
1 796 . 9 1 1 A 68 68 THR CA C 68 58.903 59.293 -0.390 1
1 797 . 9 1 1 A 68 68 THR HA H 68 3.948 5.093 -1.145 1
1 798 . 9 1 1 A 68 68 THR CB C 68 71.091 71.856 -0.765 1
1 804 . 9 1 1 A 68 68 THR C C 68 170.783 173.154 -2.371 1
1 805 . 9 1 1 A 69 69 PHE N N 69 124.029 124.311 -0.282 1
1 806 . 9 1 1 A 69 69 PHE H H 69 8.910 9.249 -0.339 1
1 807 . 9 1 1 A 69 69 PHE CA C 69 55.772 57.528 -1.756 1
1 808 . 9 1 1 A 69 69 PHE HA H 69 4.783 5.018 -0.235 1
1 809 . 9 1 1 A 69 69 PHE CB C 69 39.748 40.115 -0.367 1
1 822 . 9 1 1 A 69 69 PHE C C 69 174.951 175.331 -0.380 1
1 823 . 9 1 1 A 70 70 ASP N N 70 121.457 118.575 2.882 1
1 824 . 9 1 1 A 70 70 ASP H H 70 8.841 7.280 1.561 1
1 825 . 9 1 1 A 70 70 ASP CA C 70 52.288 53.127 -0.839 1
1 826 . 9 1 1 A 70 70 ASP HA H 70 4.661 4.893 -0.232 1
1 827 . 9 1 1 A 70 70 ASP CB C 70 40.026 41.242 -1.216 1
1 830 . 9 1 1 A 70 70 ASP C C 70 177.065 175.382 1.683 1
1 831 . 9 1 1 A 71 71 THR N N 71 114.661 109.446 5.215 1
1 832 . 9 1 1 A 71 71 THR H H 71 8.724 8.333 0.391 1
1 833 . 9 1 1 A 71 71 THR CA C 71 63.824 63.108 0.716 1
1 834 . 9 1 1 A 71 71 THR HA H 71 3.181 3.970 -0.789 1
1 835 . 9 1 1 A 71 71 THR CB C 71 66.535 66.857 -0.322 1
1 841 . 9 1 1 A 71 71 THR C C 71 173.648 174.006 -0.358 1
1 842 . 9 1 1 A 72 72 TRP N N 72 111.097 113.293 -2.196 1
1 843 . 9 1 1 A 72 72 TRP H H 72 8.854 7.967 0.887 1
1 844 . 9 1 1 A 72 72 TRP CA C 72 58.910 57.995 0.915 1
1 845 . 9 1 1 A 72 72 TRP HA H 72 3.951 4.343 -0.392 1
1 846 . 9 1 1 A 72 72 TRP CB C 72 24.332 26.336 -2.004 1
1 861 . 9 1 1 A 72 72 TRP C C 72 176.875 176.367 0.508 1
1 862 . 9 1 1 A 73 73 LYS N N 73 124.701 117.278 7.423 1
1 863 . 9 1 1 A 73 73 LYS H H 73 7.785 8.318 -0.533 1
1 864 . 9 1 1 A 73 73 LYS CA C 73 60.463 56.105 4.358 1
1 865 . 9 1 1 A 73 73 LYS HA H 73 4.174 4.493 -0.319 1
1 866 . 9 1 1 A 73 73 LYS CB C 73 31.024 34.859 -3.835 1
1 878 . 9 1 1 A 73 73 LYS C C 73 177.622 176.087 1.535 1
1 879 . 9 1 1 A 74 74 SER N N 74 117.041 111.248 5.793 1
1 880 . 9 1 1 A 74 74 SER H H 74 10.002 7.164 2.838 1
1 881 . 9 1 1 A 74 74 SER CA C 74 57.539 57.718 -0.179 1
1 882 . 9 1 1 A 74 74 SER HA H 74 4.556 4.526 0.030 1
1 883 . 9 1 1 A 74 74 SER CB C 74 66.372 65.183 1.189 1
1 886 . 9 1 1 A 74 74 SER C C 74 171.956 171.974 -0.018 1
1 887 . 9 1 1 A 75 75 TYR N N 75 113.320 122.161 -8.841 1
1 888 . 9 1 1 A 75 75 TYR H H 75 7.735 8.274 -0.539 1
1 889 . 9 1 1 A 75 75 TYR CA C 75 57.155 55.710 1.445 1
1 890 . 9 1 1 A 75 75 TYR HA H 75 5.229 5.603 -0.374 1
1 891 . 9 1 1 A 75 75 TYR CB C 75 40.745 41.649 -0.904 1
1 902 . 9 1 1 A 75 75 TYR C C 75 174.262 172.743 1.519 1
1 903 . 9 1 1 A 76 76 THR N N 76 117.158 115.002 2.156 1
1 904 . 9 1 1 A 76 76 THR H H 76 9.212 8.797 0.415 1
1 905 . 9 1 1 A 76 76 THR CA C 76 62.104 60.781 1.323 1
1 906 . 9 1 1 A 76 76 THR HA H 76 4.318 5.038 -0.720 1
1 907 . 9 1 1 A 76 76 THR CB C 76 72.675 71.522 1.153 1
1 913 . 9 1 1 A 76 76 THR C C 76 171.344 172.492 -1.148 1
1 914 . 9 1 1 A 77 77 ASP N N 77 125.875 125.377 0.498 1
1 915 . 9 1 1 A 77 77 ASP H H 77 8.569 8.599 -0.030 1
1 916 . 9 1 1 A 77 77 ASP CA C 77 52.422 52.643 -0.221 1
1 917 . 9 1 1 A 77 77 ASP HA H 77 5.865 4.883 0.982 1
1 918 . 9 1 1 A 77 77 ASP CB C 77 41.512 41.600 -0.088 1
1 921 . 9 1 1 A 77 77 ASP C C 77 175.921 174.890 1.031 1
1 922 . 9 1 1 A 78 78 PHE N N 78 125.666 123.050 2.616 1
1 923 . 9 1 1 A 78 78 PHE H H 78 9.992 8.313 1.679 1
1 924 . 9 1 1 A 78 78 PHE CA C 78 55.578 55.600 -0.022 1
1 925 . 9 1 1 A 78 78 PHE HA H 78 4.943 5.014 -0.071 1
1 926 . 9 1 1 A 78 78 PHE CB C 78 40.375 40.325 0.050 1
1 939 . 9 1 1 A 78 78 PHE C C 78 173.610 174.113 -0.503 1
1 940 . 9 1 1 A 79 79 PRO CA C 79 63.363 63.160 0.203 1
1 941 . 9 1 1 A 79 79 PRO HA H 79 4.615 4.552 0.063 1
1 942 . 9 1 1 A 79 79 PRO CB C 79 32.787 32.541 0.246 1
1 951 . 9 1 1 A 79 79 PRO C C 79 176.681 177.140 -0.459 1
1 952 . 9 1 1 A 80 80 CYS N N 80 117.289 121.800 -4.511 1
1 953 . 9 1 1 A 80 80 CYS H H 80 8.308 8.160 0.148 1
1 954 . 9 1 1 A 80 80 CYS CA C 80 57.675 59.839 -2.164 1
1 955 . 9 1 1 A 80 80 CYS HA H 80 5.242 4.784 0.458 1
1 956 . 9 1 1 A 80 80 CYS CB C 80 30.658 29.180 1.478 1
1 959 . 9 1 1 A 80 80 CYS C C 80 174.899 174.561 0.338 1
1 960 . 9 1 1 A 81 81 GLN N N 81 122.188 120.896 1.292 1
1 961 . 9 1 1 A 81 81 GLN H H 81 9.312 9.061 0.251 1
1 962 . 9 1 1 A 81 81 GLN CA C 81 54.620 54.622 -0.002 1
1 963 . 9 1 1 A 81 81 GLN HA H 81 4.911 4.959 -0.048 1
1 964 . 9 1 1 A 81 81 GLN CB C 81 31.213 31.980 -0.767 1
1 973 . 9 1 1 A 81 81 GLN C C 81 175.035 174.103 0.932 1
1 974 . 9 1 1 A 82 82 TYR N N 82 125.814 123.467 2.347 1
1 975 . 9 1 1 A 82 82 TYR H H 82 8.919 8.942 -0.023 1
1 976 . 9 1 1 A 82 82 TYR CA C 82 58.764 56.389 2.375 1
1 977 . 9 1 1 A 82 82 TYR HA H 82 3.403 5.057 -1.654 1
1 978 . 9 1 1 A 82 82 TYR CB C 82 38.346 40.825 -2.479 1
1 989 . 9 1 1 A 82 82 TYR C C 82 175.413 173.863 1.550 1
1 990 . 9 1 1 A 83 83 VAL N N 83 129.316 126.782 2.534 1
1 991 . 9 1 1 A 83 83 VAL H H 83 7.782 8.435 -0.653 1
1 992 . 9 1 1 A 83 83 VAL CA C 83 61.693 61.419 0.274 1
1 993 . 9 1 1 A 83 83 VAL HA H 83 3.758 4.395 -0.637 1
1 994 . 9 1 1 A 83 83 VAL CB C 83 32.564 32.576 -0.012 1
1 1004 . 9 1 1 A 83 83 VAL C C 83 173.771 173.591 0.180 1
1 1005 . 9 1 1 A 84 84 LYS N N 84 126.665 129.195 -2.530 1
1 1006 . 9 1 1 A 84 84 LYS H H 84 8.174 8.885 -0.711 1
1 1007 . 9 1 1 A 84 84 LYS CA C 84 56.144 54.778 1.366 1
1 1008 . 9 1 1 A 84 84 LYS HA H 84 4.016 4.724 -0.708 1
1 1009 . 9 1 1 A 84 84 LYS CB C 84 32.170 33.870 -1.700 1
1 1021 . 9 1 1 A 84 84 LYS C C 84 175.610 175.134 0.476 1
1 1022 . 9 1 1 A 85 85 ASP N N 85 124.262 125.893 -1.631 1
1 1023 . 9 1 1 A 85 85 ASP H H 85 7.864 8.436 -0.572 1
1 1024 . 9 1 1 A 85 85 ASP CA C 85 53.349 52.796 0.553 1
1 1025 . 9 1 1 A 85 85 ASP HA H 85 4.678 4.923 -0.245 1
1 1026 . 9 1 1 A 85 85 ASP CB C 85 41.683 43.512 -1.829 1
1 1029 . 9 1 1 A 85 85 ASP C C 85 176.841 175.963 0.878 1
1 1030 . 9 1 1 A 86 86 THR N N 86 113.656 113.917 -0.261 1
1 1031 . 9 1 1 A 86 86 THR H H 86 8.065 8.553 -0.488 1
1 1032 . 9 1 1 A 86 86 THR CA C 86 63.274 65.538 -2.264 1
1 1033 . 9 1 1 A 86 86 THR HA H 86 4.086 3.838 0.248 1
1 1034 . 9 1 1 A 86 86 THR CB C 86 69.257 68.903 0.354 1
1 1040 . 9 1 1 A 86 86 THR C C 86 174.589 175.580 -0.991 1
1 1041 . 9 1 1 A 87 87 TYR N N 87 120.837 117.845 2.992 1
1 1042 . 9 1 1 A 87 87 TYR H H 87 8.064 7.382 0.682 1
1 1043 . 9 1 1 A 87 87 TYR CA C 87 58.054 60.041 -1.987 1
1 1044 . 9 1 1 A 87 87 TYR HA H 87 4.527 4.333 0.194 1
1 1045 . 9 1 1 A 87 87 TYR CB C 87 38.297 38.231 0.066 1
1 1056 . 9 1 1 A 87 87 TYR C C 87 175.590 176.887 -1.297 1
1 1057 . 9 1 1 A 88 88 ALA N N 88 125.226 121.477 3.749 1
1 1058 . 9 1 1 A 88 88 ALA H H 88 7.963 7.742 0.221 1
1 1059 . 9 1 1 A 88 88 ALA CA C 88 53.104 53.153 -0.049 1
1 1060 . 9 1 1 A 88 88 ALA HA H 88 4.389 4.158 0.231 1
1 1061 . 9 1 1 A 88 88 ALA CB C 88 19.127 19.151 -0.024 1
1 1065 . 9 1 1 A 88 88 ALA C C 88 178.497 178.255 0.242 1
1 1066 . 9 1 1 A 89 89 GLY N N 89 109.029 110.529 -1.500 1
1 1067 . 9 1 1 A 89 89 GLY H H 89 8.479 8.501 -0.022 1
1 1068 . 9 1 1 A 89 89 GLY CA C 89 45.426 45.728 -0.302 1
1 1069 . 9 1 1 A 89 89 GLY HA2 H 89 3.952 4.046 -0.094 1
1 1070 . 9 1 1 A 89 89 GLY HA3 H 89 4.079 4.046 0.033 1
1 1071 . 9 1 1 A 89 89 GLY C C 89 174.563 175.791 -1.228 1
1 1072 . 9 1 1 A 90 90 SER N N 90 115.638 118.163 -2.525 1
1 1073 . 9 1 1 A 90 90 SER H H 90 8.232 8.949 -0.717 1
1 1074 . 9 1 1 A 90 90 SER CA C 90 58.443 61.254 -2.811 1
1 1075 . 9 1 1 A 90 90 SER HA H 90 4.574 4.155 0.419 1
1 1076 . 9 1 1 A 90 90 SER CB C 90 63.865 62.983 0.882 1
1 1079 . 9 1 1 A 90 90 SER C C 90 174.212 175.869 -1.657 1
1 1080 . 9 1 1 A 91 91 ASP N N 91 120.185 119.130 1.055 1
1 1081 . 9 1 1 A 91 91 ASP H H 91 8.691 7.737 0.954 1
1 1082 . 9 1 1 A 91 91 ASP CA C 91 55.012 56.018 -1.006 1
1 1083 . 9 1 1 A 91 91 ASP HA H 91 4.684 4.720 -0.036 1
1 1084 . 9 1 1 A 91 91 ASP CB C 91 40.643 41.311 -0.668 1
1 1087 . 9 1 1 A 91 91 ASP C C 91 176.350 176.389 -0.039 1
1 1088 . 9 1 1 A 92 92 ARG N N 92 119.690 116.618 3.072 1
1 1089 . 9 1 1 A 92 92 ARG H H 92 8.072 7.596 0.476 1
1 1090 . 9 1 1 A 92 92 ARG CA C 92 54.941 56.168 -1.227 1
1 1091 . 9 1 1 A 92 92 ARG HA H 92 5.022 4.418 0.604 1
1 1092 . 9 1 1 A 92 92 ARG CB C 92 32.816 30.538 2.278 1
1 1101 . 9 1 1 A 92 92 ARG C C 92 174.072 175.346 -1.274 1
1 1102 . 9 1 1 A 93 93 ASP N N 93 119.716 121.863 -2.147 1
1 1103 . 9 1 1 A 93 93 ASP H H 93 8.550 8.845 -0.295 1
1 1104 . 9 1 1 A 93 93 ASP CA C 93 53.411 52.787 0.624 1
1 1105 . 9 1 1 A 93 93 ASP HA H 93 5.108 5.347 -0.239 1
1 1106 . 9 1 1 A 93 93 ASP CB C 93 46.005 43.419 2.586 1
1 1109 . 9 1 1 A 93 93 ASP C C 93 174.776 175.064 -0.288 1
1 1110 . 9 1 1 A 94 94 THR N N 94 116.481 117.339 -0.858 1
1 1111 . 9 1 1 A 94 94 THR H H 94 8.932 8.473 0.459 1
1 1112 . 9 1 1 A 94 94 THR CA C 94 62.287 61.665 0.622 1
1 1113 . 9 1 1 A 94 94 THR HA H 94 5.232 4.886 0.346 1
1 1114 . 9 1 1 A 94 94 THR CB C 94 70.008 70.053 -0.045 1
1 1120 . 9 1 1 A 94 94 THR C C 94 171.982 173.443 -1.461 1
1 1121 . 9 1 1 A 95 95 PHE N N 95 124.488 126.984 -2.496 1
1 1122 . 9 1 1 A 95 95 PHE H H 95 9.347 8.981 0.366 1
1 1123 . 9 1 1 A 95 95 PHE CA C 95 55.834 57.188 -1.354 1
1 1124 . 9 1 1 A 95 95 PHE HA H 95 5.321 5.394 -0.073 1
1 1125 . 9 1 1 A 95 95 PHE CB C 95 43.478 40.810 2.668 1
1 1138 . 9 1 1 A 95 95 PHE C C 95 174.780 174.726 0.054 1
1 1139 . 9 1 1 A 96 96 SER N N 96 117.417 119.164 -1.747 1
1 1140 . 9 1 1 A 96 96 SER H H 96 10.108 9.033 1.075 1
1 1141 . 9 1 1 A 96 96 SER CA C 96 56.388 56.619 -0.231 1
1 1142 . 9 1 1 A 96 96 SER HA H 96 5.575 5.376 0.199 1
1 1143 . 9 1 1 A 96 96 SER CB C 96 67.188 65.237 1.951 1
1 1146 . 9 1 1 A 96 96 SER C C 96 173.079 173.163 -0.084 1
1 1147 . 9 1 1 A 97 97 PHE N N 97 114.813 120.104 -5.291 1
1 1148 . 9 1 1 A 97 97 PHE H H 97 7.991 8.765 -0.774 1
1 1149 . 9 1 1 A 97 97 PHE CA C 97 56.003 55.079 0.924 1
1 1150 . 9 1 1 A 97 97 PHE HA H 97 5.249 5.800 -0.551 1
1 1151 . 9 1 1 A 97 97 PHE CB C 97 42.008 42.727 -0.719 1
1 1164 . 9 1 1 A 97 97 PHE C C 97 174.316 173.517 0.799 1
1 1165 . 9 1 1 A 98 98 ASP N N 98 121.809 119.745 2.064 1
1 1166 . 9 1 1 A 98 98 ASP H H 98 8.297 9.272 -0.975 1
1 1167 . 9 1 1 A 98 98 ASP CA C 98 54.789 52.564 2.225 1
1 1168 . 9 1 1 A 98 98 ASP HA H 98 5.006 5.431 -0.425 1
1 1169 . 9 1 1 A 98 98 ASP CB C 98 42.282 42.431 -0.149 1
1 1172 . 9 1 1 A 98 98 ASP C C 98 174.959 174.334 0.625 1
1 1173 . 9 1 1 A 99 99 ILE N N 99 126.714 126.051 0.663 1
1 1174 . 9 1 1 A 99 99 ILE H H 99 9.331 9.011 0.320 1
1 1175 . 9 1 1 A 99 99 ILE CA C 99 60.455 59.916 0.539 1
1 1176 . 9 1 1 A 99 99 ILE HA H 99 4.016 4.522 -0.506 1
1 1177 . 9 1 1 A 99 99 ILE CB C 99 42.110 39.972 2.138 1
1 1190 . 9 1 1 A 99 99 ILE C C 99 175.019 174.589 0.430 1
1 1191 . 9 1 1 A 100 100 SER N N 100 122.590 122.038 0.552 1
1 1192 . 9 1 1 A 100 100 SER H H 100 8.345 8.637 -0.292 1
1 1193 . 9 1 1 A 100 100 SER CA C 100 58.848 57.095 1.753 1
1 1194 . 9 1 1 A 100 100 SER HA H 100 4.527 4.968 -0.441 1
1 1195 . 9 1 1 A 100 100 SER CB C 100 63.482 63.933 -0.451 1
1 1198 . 9 1 1 A 100 100 SER C C 100 173.557 174.298 -0.741 1
1 1199 . 9 1 1 A 101 101 LEU N N 101 124.776 127.068 -2.292 1
1 1200 . 9 1 1 A 101 101 LEU H H 101 8.277 8.316 -0.039 1
1 1201 . 9 1 1 A 101 101 LEU CA C 101 52.430 54.027 -1.597 1
1 1202 . 9 1 1 A 101 101 LEU HA H 101 4.375 4.238 0.137 1
1 1203 . 9 1 1 A 101 101 LEU CB C 101 40.427 41.542 -1.115 1
1 1216 . 9 1 1 A 101 101 LEU C C 101 174.363 174.858 -0.495 1
1 1217 . 9 1 1 A 102 102 PRO CA C 102 62.488 62.120 0.368 1
1 1218 . 9 1 1 A 102 102 PRO HA H 102 4.259 4.309 -0.050 1
1 1219 . 9 1 1 A 102 102 PRO CB C 102 32.073 32.738 -0.665 1
1 1228 . 9 1 1 A 102 102 PRO C C 102 175.687 177.427 -1.740 1
1 1229 . 9 1 1 A 103 103 GLU N N 103 118.843 120.123 -1.280 1
1 1230 . 9 1 1 A 103 103 GLU H H 103 8.286 8.531 -0.245 1
1 1231 . 9 1 1 A 103 103 GLU CA C 103 58.131 59.054 -0.923 1
1 1232 . 9 1 1 A 103 103 GLU HA H 103 4.013 4.049 -0.036 1
1 1233 . 9 1 1 A 103 103 GLU CB C 103 30.344 29.052 1.292 1
1 1239 . 9 1 1 A 103 103 GLU C C 103 176.869 176.068 0.801 1
1 1240 . 9 1 1 A 104 104 LYS N N 104 116.544 117.539 -0.995 1
1 1241 . 9 1 1 A 104 104 LYS H H 104 7.869 7.624 0.245 1
1 1242 . 9 1 1 A 104 104 LYS CA C 104 55.314 55.332 -0.018 1
1 1243 . 9 1 1 A 104 104 LYS HA H 104 4.474 5.040 -0.566 1
1 1244 . 9 1 1 A 104 104 LYS CB C 104 33.428 37.534 -4.106 1
1 1256 . 9 1 1 A 104 104 LYS C C 104 175.231 174.840 0.391 1
1 1257 . 9 1 1 A 105 105 ILE N N 105 122.507 121.434 1.073 1
1 1258 . 9 1 1 A 105 105 ILE H H 105 8.236 8.782 -0.546 1
1 1259 . 9 1 1 A 105 105 ILE CA C 105 60.636 60.406 0.230 1
1 1260 . 9 1 1 A 105 105 ILE HA H 105 4.190 4.979 -0.789 1
1 1261 . 9 1 1 A 105 105 ILE CB C 105 39.685 41.977 -2.292 1
1 1274 . 9 1 1 A 105 105 ILE C C 105 176.091 174.833 1.258 1
1 1275 . 9 1 1 A 106 106 GLN N N 106 124.467 125.967 -1.500 1
1 1276 . 9 1 1 A 106 106 GLN H H 106 8.752 8.539 0.213 1
1 1277 . 9 1 1 A 106 106 GLN CA C 106 56.244 53.934 2.310 1
1 1278 . 9 1 1 A 106 106 GLN HA H 106 4.243 4.879 -0.636 1
1 1279 . 9 1 1 A 106 106 GLN CB C 106 28.717 31.934 -3.217 1
1 1288 . 9 1 1 A 106 106 GLN C C 106 177.593 176.701 0.892 1
1 1289 . 9 1 1 A 107 107 SER N N 107 116.963 117.096 -0.133 1
1 1290 . 9 1 1 A 107 107 SER H H 107 8.623 8.872 -0.249 1
1 1291 . 9 1 1 A 107 107 SER CA C 107 60.530 61.622 -1.092 1
1 1292 . 9 1 1 A 107 107 SER HA H 107 4.152 4.255 -0.103 1
1 1293 . 9 1 1 A 107 107 SER CB C 107 63.187 62.448 0.739 1
1 1296 . 9 1 1 A 107 107 SER C C 107 174.222 176.549 -2.327 1
1 1297 . 9 1 1 A 108 108 TYR N N 108 116.323 119.509 -3.186 1
1 1298 . 9 1 1 A 108 108 TYR H H 108 7.330 8.470 -1.140 1
1 1299 . 9 1 1 A 108 108 TYR CA C 108 56.727 60.949 -4.222 1
1 1300 . 9 1 1 A 108 108 TYR HA H 108 4.655 4.368 0.287 1
1 1301 . 9 1 1 A 108 108 TYR CB C 108 37.491 37.527 -0.036 1
1 1312 . 9 1 1 A 108 108 TYR C C 108 175.768 175.754 0.014 1
1 1313 . 9 1 1 A 109 109 GLU N N 109 120.523 116.801 3.722 1
1 1314 . 9 1 1 A 109 109 GLU H H 109 7.587 6.984 0.603 1
1 1315 . 9 1 1 A 109 109 GLU CA C 109 55.573 54.345 1.228 1
1 1316 . 9 1 1 A 109 109 GLU HA H 109 4.582 4.667 -0.085 1
1 1317 . 9 1 1 A 109 109 GLU CB C 109 31.360 31.649 -0.289 1
1 1323 . 9 1 1 A 109 109 GLU C C 109 176.013 174.562 1.451 1
1 1324 . 9 1 1 A 110 110 ARG N N 110 118.559 121.405 -2.846 1
1 1325 . 9 1 1 A 110 110 ARG H H 110 8.441 8.771 -0.330 1
1 1326 . 9 1 1 A 110 110 ARG CA C 110 55.667 53.958 1.709 1
1 1327 . 9 1 1 A 110 110 ARG HA H 110 4.786 5.103 -0.317 1
1 1328 . 9 1 1 A 110 110 ARG CB C 110 32.404 33.763 -1.359 1
1 1339 . 9 1 1 A 110 110 ARG C C 110 174.387 173.898 0.489 1
1 1340 . 9 1 1 A 111 111 MET N N 111 122.471 122.907 -0.436 1
1 1341 . 9 1 1 A 111 111 MET H H 111 8.665 8.786 -0.121 1
1 1342 . 9 1 1 A 111 111 MET CA C 111 54.151 54.345 -0.194 1
1 1343 . 9 1 1 A 111 111 MET HA H 111 5.167 5.101 0.066 1
1 1344 . 9 1 1 A 111 111 MET CB C 111 35.735 35.446 0.289 1
1 1354 . 9 1 1 A 111 111 MET C C 111 174.924 174.443 0.481 1
1 1355 . 9 1 1 A 112 112 GLU N N 112 119.500 125.399 -5.899 1
1 1356 . 9 1 1 A 112 112 GLU H H 112 7.951 8.137 -0.186 1
1 1357 . 9 1 1 A 112 112 GLU CA C 112 53.909 54.708 -0.799 1
1 1358 . 9 1 1 A 112 112 GLU HA H 112 5.662 5.135 0.527 1
1 1359 . 9 1 1 A 112 112 GLU CB C 112 35.198 34.444 0.754 1
1 1365 . 9 1 1 A 112 112 GLU C C 112 174.483 175.078 -0.595 1
1 1366 . 9 1 1 A 113 113 PHE N N 113 115.033 118.139 -3.106 1
1 1367 . 9 1 1 A 113 113 PHE H H 113 9.278 8.820 0.458 1
1 1368 . 9 1 1 A 113 113 PHE CA C 113 55.857 55.805 0.052 1
1 1369 . 9 1 1 A 113 113 PHE HA H 113 6.262 5.565 0.697 1
1 1370 . 9 1 1 A 113 113 PHE CB C 113 43.656 42.521 1.135 1
1 1383 . 9 1 1 A 113 113 PHE C C 113 172.253 172.548 -0.295 1
1 1384 . 9 1 1 A 114 114 ALA N N 114 121.461 122.554 -1.093 1
1 1385 . 9 1 1 A 114 114 ALA H H 114 9.475 8.948 0.527 1
1 1386 . 9 1 1 A 114 114 ALA CA C 114 50.860 50.588 0.272 1
1 1387 . 9 1 1 A 114 114 ALA HA H 114 5.026 5.349 -0.323 1
1 1388 . 9 1 1 A 114 114 ALA CB C 114 23.129 22.399 0.730 1
1 1392 . 9 1 1 A 114 114 ALA C C 114 174.903 176.553 -1.650 1
1 1393 . 9 1 1 A 115 115 VAL N N 115 120.899 122.663 -1.764 1
1 1394 . 9 1 1 A 115 115 VAL H H 115 8.928 8.422 0.506 1
1 1395 . 9 1 1 A 115 115 VAL CA C 115 61.379 62.961 -1.582 1
1 1396 . 9 1 1 A 115 115 VAL HA H 115 4.798 4.329 0.469 1
1 1397 . 9 1 1 A 115 115 VAL CB C 115 34.712 32.335 2.377 1
1 1407 . 9 1 1 A 115 115 VAL C C 115 174.444 174.864 -0.420 1
1 1408 . 9 1 1 A 116 116 TYR N N 116 123.426 127.496 -4.070 1
1 1409 . 9 1 1 A 116 116 TYR H H 116 8.963 8.280 0.683 1
1 1410 . 9 1 1 A 116 116 TYR CA C 116 55.480 54.370 1.110 1
1 1411 . 9 1 1 A 116 116 TYR HA H 116 5.081 4.736 0.345 1
1 1412 . 9 1 1 A 116 116 TYR CB C 116 38.928 39.928 -1.000 1
1 1423 . 9 1 1 A 116 116 TYR C C 116 172.208 172.769 -0.561 1
1 1424 . 9 1 1 A 117 117 TYR N N 117 123.249 130.358 -7.109 1
1 1425 . 9 1 1 A 117 117 TYR H H 117 8.858 8.555 0.303 1
1 1426 . 9 1 1 A 117 117 TYR CA C 117 52.371 56.389 -4.018 1
1 1427 . 9 1 1 A 117 117 TYR HA H 117 5.528 4.691 0.837 1
1 1428 . 9 1 1 A 117 117 TYR CB C 117 41.509 40.375 1.134 1
1 1439 . 9 1 1 A 117 117 TYR C C 117 173.159 173.571 -0.412 1
1 1440 . 9 1 1 A 118 118 GLU N N 118 127.681 128.074 -0.393 1
1 1441 . 9 1 1 A 118 118 GLU H H 118 9.368 8.297 1.071 1
1 1442 . 9 1 1 A 118 118 GLU CA C 118 54.179 55.684 -1.505 1
1 1443 . 9 1 1 A 118 118 GLU HA H 118 5.085 4.403 0.682 1
1 1444 . 9 1 1 A 118 118 GLU CB C 118 32.099 30.478 1.621 1
1 1450 . 9 1 1 A 118 118 GLU C C 118 175.565 174.849 0.716 1
1 1451 . 9 1 1 A 119 119 CYS N N 119 122.152 123.642 -1.490 1
1 1452 . 9 1 1 A 119 119 CYS H H 119 8.323 8.356 -0.033 1
1 1453 . 9 1 1 A 119 119 CYS CA C 119 58.248 58.771 -0.523 1
1 1454 . 9 1 1 A 119 119 CYS HA H 119 4.479 4.463 0.016 1
1 1455 . 9 1 1 A 119 119 CYS CB C 119 29.065 30.226 -1.161 1
1 1458 . 9 1 1 A 119 119 CYS C C 119 174.586 173.052 1.534 1
1 1459 . 9 1 1 A 120 120 ASN N N 120 126.917 125.362 1.555 1
1 1460 . 9 1 1 A 120 120 ASN H H 120 9.858 9.137 0.721 1
1 1461 . 9 1 1 A 120 120 ASN CA C 120 53.735 54.368 -0.633 1
1 1462 . 9 1 1 A 120 120 ASN HA H 120 4.342 4.395 -0.053 1
1 1463 . 9 1 1 A 120 120 ASN CB C 120 37.873 37.301 0.572 1
1 1469 . 9 1 1 A 120 120 ASN C C 120 174.943 175.589 -0.646 1
1 1470 . 9 1 1 A 121 121 GLY N N 121 104.866 103.645 1.221 1
1 1471 . 9 1 1 A 121 121 GLY H H 121 8.776 8.555 0.221 1
1 1472 . 9 1 1 A 121 121 GLY CA C 121 45.586 46.067 -0.481 1
1 1473 . 9 1 1 A 121 121 GLY HA2 H 121 4.041 3.829 0.212 1
1 1474 . 9 1 1 A 121 121 GLY HA3 H 121 3.553 3.842 -0.289 1
1 1475 . 9 1 1 A 121 121 GLY C C 121 173.804 173.678 0.126 1
1 1476 . 9 1 1 A 122 122 GLN N N 122 119.988 118.341 1.647 1
1 1477 . 9 1 1 A 122 122 GLN H H 122 7.677 7.502 0.175 1
1 1478 . 9 1 1 A 122 122 GLN CA C 122 53.624 53.862 -0.238 1
1 1479 . 9 1 1 A 122 122 GLN HA H 122 4.395 4.777 -0.382 1
1 1480 . 9 1 1 A 122 122 GLN CB C 122 31.456 31.940 -0.484 1
1 1489 . 9 1 1 A 122 122 GLN C C 122 174.029 174.198 -0.169 1
1 1490 . 9 1 1 A 123 123 THR N N 123 116.337 115.348 0.989 1
1 1491 . 9 1 1 A 123 123 THR H H 123 7.990 8.266 -0.276 1
1 1492 . 9 1 1 A 123 123 THR CA C 123 61.935 61.437 0.498 1
1 1493 . 9 1 1 A 123 123 THR HA H 123 4.620 4.647 -0.027 1
1 1494 . 9 1 1 A 123 123 THR CB C 123 70.005 71.347 -1.342 1
1 1500 . 9 1 1 A 123 123 THR C C 123 172.596 172.480 0.116 1
1 1501 . 9 1 1 A 124 124 TYR N N 124 128.915 125.121 3.794 1
1 1502 . 9 1 1 A 124 124 TYR H H 124 9.416 8.325 1.091 1
1 1503 . 9 1 1 A 124 124 TYR CA C 124 56.388 56.207 0.181 1
1 1504 . 9 1 1 A 124 124 TYR HA H 124 4.962 5.243 -0.281 1
1 1505 . 9 1 1 A 124 124 TYR CB C 124 40.688 40.642 0.046 1
1 1516 . 9 1 1 A 124 124 TYR C C 124 174.284 174.810 -0.526 1
1 1517 . 9 1 1 A 125 125 TRP N N 125 119.850 122.992 -3.142 1
1 1518 . 9 1 1 A 125 125 TRP H H 125 8.738 9.084 -0.346 1
1 1519 . 9 1 1 A 125 125 TRP CA C 125 56.940 55.443 1.497 1
1 1520 . 9 1 1 A 125 125 TRP HA H 125 5.388 5.579 -0.191 1
1 1521 . 9 1 1 A 125 125 TRP CB C 125 33.031 31.442 1.589 1
1 1536 . 9 1 1 A 125 125 TRP C C 125 176.973 174.729 2.244 1
1 1537 . 9 1 1 A 126 126 ASP N N 126 118.759 126.433 -7.674 1
1 1538 . 9 1 1 A 126 126 ASP H H 126 9.436 8.796 0.640 1
1 1539 . 9 1 1 A 126 126 ASP CA C 126 53.968 52.811 1.157 1
1 1540 . 9 1 1 A 126 126 ASP HA H 126 5.213 5.182 0.031 1
1 1541 . 9 1 1 A 126 126 ASP CB C 126 42.641 42.136 0.505 1
1 1544 . 9 1 1 A 126 126 ASP C C 126 176.043 174.464 1.579 1
1 1545 . 9 1 1 A 127 127 SER N N 127 119.074 120.167 -1.093 1
1 1546 . 9 1 1 A 127 127 SER H H 127 8.520 8.656 -0.136 1
1 1547 . 9 1 1 A 127 127 SER CA C 127 55.118 56.623 -1.505 1
1 1548 . 9 1 1 A 127 127 SER HA H 127 4.811 4.986 -0.175 1
1 1549 . 9 1 1 A 127 127 SER CB C 127 63.866 64.536 -0.670 1
1 1552 . 9 1 1 A 127 127 SER C C 127 175.840 173.178 2.662 1
1 1553 . 9 1 1 A 128 128 ASN N N 128 124.865 119.313 5.552 1
1 1554 . 9 1 1 A 128 128 ASN H H 128 9.242 8.643 0.599 1
1 1555 . 9 1 1 A 128 128 ASN CA C 128 53.224 54.033 -0.809 1
1 1556 . 9 1 1 A 128 128 ASN HA H 128 4.071 3.872 0.199 1
1 1557 . 9 1 1 A 128 128 ASN CB C 128 34.281 36.306 -2.025 1
1 1563 . 9 1 1 A 128 128 ASN C C 128 176.607 174.313 2.294 1
1 1564 . 9 1 1 A 129 129 ARG N N 129 114.718 110.423 4.295 1
1 1565 . 9 1 1 A 129 129 ARG H H 129 9.475 8.305 1.170 1
1 1566 . 9 1 1 A 129 129 ARG CA C 129 56.798 57.096 -0.298 1
1 1567 . 9 1 1 A 129 129 ARG HA H 129 3.774 3.797 -0.023 1
1 1568 . 9 1 1 A 129 129 ARG CB C 129 27.145 27.553 -0.408 1
1 1579 . 9 1 1 A 129 129 ARG C C 129 176.132 175.778 0.354 1
1 1580 . 9 1 1 A 130 130 GLY N N 130 106.337 106.359 -0.022 1
1 1581 . 9 1 1 A 130 130 GLY H H 130 7.568 8.162 -0.594 1
1 1582 . 9 1 1 A 130 130 GLY CA C 130 44.896 46.123 -1.227 1
1 1583 . 9 1 1 A 130 130 GLY HA2 H 130 4.103 4.008 0.095 1
1 1584 . 9 1 1 A 130 130 GLY HA3 H 130 3.425 4.023 -0.598 1
1 1585 . 9 1 1 A 130 130 GLY C C 130 174.521 174.156 0.365 1
1 1586 . 9 1 1 A 131 131 LYS N N 131 119.902 123.851 -3.949 1
1 1587 . 9 1 1 A 131 131 LYS H H 131 7.278 8.120 -0.842 1
1 1588 . 9 1 1 A 131 131 LYS CA C 131 57.336 58.082 -0.746 1
1 1589 . 9 1 1 A 131 131 LYS HA H 131 4.132 4.203 -0.071 1
1 1590 . 9 1 1 A 131 131 LYS CB C 131 33.719 32.740 0.979 1
1 1602 . 9 1 1 A 131 131 LYS C C 131 177.813 176.618 1.195 1
1 1603 . 9 1 1 A 132 132 ASN N N 132 107.489 112.013 -4.524 1
1 1604 . 9 1 1 A 132 132 ASN H H 132 8.268 7.693 0.575 1
1 1605 . 9 1 1 A 132 132 ASN CA C 132 54.717 52.148 2.569 1
1 1606 . 9 1 1 A 132 132 ASN HA H 132 3.691 4.783 -1.092 1
1 1607 . 9 1 1 A 132 132 ASN CB C 132 39.462 40.432 -0.970 1
1 1613 . 9 1 1 A 132 132 ASN C C 132 172.611 172.741 -0.130 1
1 1614 . 9 1 1 A 133 133 TYR N N 133 120.541 119.909 0.632 1
1 1615 . 9 1 1 A 133 133 TYR H H 133 8.696 8.442 0.254 1
1 1616 . 9 1 1 A 133 133 TYR CA C 133 58.334 57.312 1.022 1
1 1617 . 9 1 1 A 133 133 TYR HA H 133 3.879 4.276 -0.397 1
1 1618 . 9 1 1 A 133 133 TYR CB C 133 35.955 36.618 -0.663 1
1 1627 . 9 1 1 A 133 133 TYR C C 133 175.026 175.124 -0.098 1
1 1628 . 9 1 1 A 134 134 ARG N N 134 123.205 125.977 -2.772 1
1 1629 . 9 1 1 A 134 134 ARG H H 134 8.584 8.523 0.061 1
1 1630 . 9 1 1 A 134 134 ARG CA C 134 56.025 56.555 -0.530 1
1 1631 . 9 1 1 A 134 134 ARG HA H 134 5.043 4.716 0.327 1
1 1632 . 9 1 1 A 134 134 ARG CB C 134 32.734 30.519 2.215 1
1 1643 . 9 1 1 A 134 134 ARG C C 134 174.511 175.326 -0.815 1
1 1644 . 9 1 1 A 135 135 ILE N N 135 124.430 129.287 -4.857 1
1 1645 . 9 1 1 A 135 135 ILE H H 135 8.429 8.832 -0.403 1
1 1646 . 9 1 1 A 135 135 ILE CA C 135 61.078 60.281 0.797 1
1 1647 . 9 1 1 A 135 135 ILE HA H 135 4.797 4.892 -0.095 1
1 1648 . 9 1 1 A 135 135 ILE CB C 135 39.875 38.428 1.447 1
1 1661 . 9 1 1 A 135 135 ILE C C 135 175.279 176.154 -0.875 1
1 1662 . 9 1 1 A 136 136 ILE N N 136 120.496 124.648 -4.152 1
1 1663 . 9 1 1 A 136 136 ILE H H 136 9.000 8.809 0.191 1
1 1664 . 9 1 1 A 136 136 ILE CA C 136 59.359 59.488 -0.129 1
1 1665 . 9 1 1 A 136 136 ILE HA H 136 5.028 4.788 0.240 1
1 1666 . 9 1 1 A 136 136 ILE CB C 136 42.170 40.062 2.108 1
1 1679 . 9 1 1 A 136 136 ILE C C 136 175.144 175.817 -0.673 1
1 1680 . 9 1 1 A 137 137 ARG N N 137 122.183 123.623 -1.440 1
1 1681 . 9 1 1 A 137 137 ARG H H 137 8.535 8.429 0.106 1
1 1682 . 9 1 1 A 137 137 ARG CA C 137 56.339 55.334 1.005 1
1 1683 . 9 1 1 A 137 137 ARG HA H 137 4.402 4.134 0.268 1
1 1684 . 9 1 1 A 137 137 ARG CB C 137 30.696 31.450 -0.754 1
1 1695 . 9 1 1 A 137 137 ARG C C 137 176.646 177.344 -0.698 1
1 1696 . 9 1 1 A 138 138 ALA N N 138 126.694 126.457 0.237 1
1 1697 . 9 1 1 A 138 138 ALA H H 138 8.353 8.456 -0.103 1
1 1698 . 9 1 1 A 138 138 ALA CA C 138 52.808 53.982 -1.174 1
1 1699 . 9 1 1 A 138 138 ALA HA H 138 4.134 4.121 0.013 1
1 1700 . 9 1 1 A 138 138 ALA CB C 138 19.536 18.779 0.757 1
1 1704 . 9 1 1 A 138 138 ALA C C 138 177.637 178.408 -0.771 1
1 1705 . 9 1 1 A 139 139 GLU N N 139 119.890 115.990 3.900 1
1 1706 . 9 1 1 A 139 139 GLU H H 139 8.615 8.048 0.567 1
1 1707 . 9 1 1 A 139 139 GLU CA C 139 56.586 58.204 -1.618 1
1 1708 . 9 1 1 A 139 139 GLU HA H 139 4.268 4.179 0.089 1
1 1709 . 9 1 1 A 139 139 GLU CB C 139 30.137 29.989 0.148 1
1 1715 . 9 1 1 A 139 139 GLU C C 139 176.488 178.173 -1.685 1
1 1716 . 9 1 1 A 140 140 LEU N N 140 123.350 118.667 4.683 1
1 1717 . 9 1 1 A 140 140 LEU H H 140 8.224 7.601 0.623 1
1 1718 . 9 1 1 A 140 140 LEU CA C 140 55.185 56.762 -1.577 1
1 1719 . 9 1 1 A 140 140 LEU HA H 140 4.339 4.277 0.062 1
1 1720 . 9 1 1 A 140 140 LEU CB C 140 42.294 42.381 -0.087 1
1 1733 . 9 1 1 A 140 140 LEU C C 140 177.456 177.094 0.362 1
1 1734 . 9 1 1 A 141 141 LYS N N 141 122.155 121.064 1.091 1
1 1735 . 9 1 1 A 141 141 LYS H H 141 8.239 7.387 0.852 1
1 1736 . 9 1 1 A 141 141 LYS CA C 141 56.480 57.563 -1.083 1
1 1737 . 9 1 1 A 141 141 LYS HA H 141 4.309 4.104 0.205 1
1 1738 . 9 1 1 A 141 141 LYS CB C 141 32.976 33.127 -0.151 1
1 1750 . 9 1 1 A 141 141 LYS C C 141 176.734 175.480 1.254 1
1 1751 . 9 1 1 A 142 142 SER N N 142 116.816 121.563 -4.747 1
1 1752 . 9 1 1 A 142 142 SER H H 142 8.369 8.637 -0.268 1
1 1753 . 9 1 1 A 142 142 SER CA C 142 58.425 56.939 1.486 1
1 1754 . 9 1 1 A 142 142 SER HA H 142 4.529 4.945 -0.416 1
1 1755 . 9 1 1 A 142 142 SER CB C 142 63.836 66.171 -2.335 1
1 1758 . 9 1 1 A 142 142 SER C C 142 175.185 173.296 1.889 1
1 1759 . 9 1 1 A 143 143 THR N N 143 115.566 120.879 -5.313 1
1 1760 . 9 1 1 A 143 143 THR H H 143 8.235 8.873 -0.638 1
1 1761 . 9 1 1 A 143 143 THR CA C 143 61.999 64.210 -2.211 1
1 1762 . 9 1 1 A 143 143 THR HA H 143 4.389 4.252 0.137 1
1 1763 . 9 1 1 A 143 143 THR CB C 143 69.634 69.557 0.077 1
1 1769 . 9 1 1 A 143 143 THR C C 143 174.937 174.454 0.483 1
1 1770 . 9 1 1 A 144 144 GLN N N 144 122.469 126.269 -3.800 1
1 1771 . 9 1 1 A 144 144 GLN H H 144 8.345 9.073 -0.728 1
1 1772 . 9 1 1 A 144 144 GLN CA C 144 56.480 56.964 -0.484 1
1 1773 . 9 1 1 A 144 144 GLN HA H 144 4.307 4.482 -0.175 1
1 1774 . 9 1 1 A 144 144 GLN CB C 144 29.307 31.476 -2.169 1
1 1783 . 9 1 1 A 144 144 GLN C C 144 176.536 175.471 1.065 1
1 1784 . 9 1 1 A 145 145 GLY N N 145 110.021 106.641 3.380 1
1 1785 . 9 1 1 A 145 145 GLY H H 145 8.461 7.472 0.989 1
1 1786 . 9 1 1 A 145 145 GLY CA C 145 45.355 44.713 0.642 1
1 1787 . 9 1 1 A 145 145 GLY HA2 H 145 3.967 4.149 -0.182 1
1 1788 . 9 1 1 A 145 145 GLY HA3 H 145 3.967 4.150 -0.183 1
1 1789 . 9 1 1 A 145 145 GLY C C 145 174.123 172.686 1.437 1
1 1790 . 9 1 1 A 146 146 MET N N 146 119.836 121.227 -1.391 1
1 1791 . 9 1 1 A 146 146 MET H H 146 8.197 8.288 -0.091 1
1 1792 . 9 1 1 A 146 146 MET CA C 146 55.594 54.017 1.577 1
1 1793 . 9 1 1 A 146 146 MET HA H 146 4.538 4.986 -0.448 1
1 1794 . 9 1 1 A 146 146 MET CB C 146 33.090 32.701 0.389 1
1 1804 . 9 1 1 A 146 146 MET C C 146 176.454 175.981 0.473 1
1 1805 . 9 1 1 A 147 147 THR N N 147 116.248 117.051 -0.803 1
1 1806 . 9 1 1 A 147 147 THR H H 147 8.239 8.582 -0.343 1
1 1807 . 9 1 1 A 147 147 THR CA C 147 61.959 62.491 -0.532 1
1 1808 . 9 1 1 A 147 147 THR HA H 147 4.318 4.312 0.006 1
1 1809 . 9 1 1 A 147 147 THR CB C 147 69.875 69.561 0.314 1
1 1815 . 9 1 1 A 147 147 THR C C 147 174.141 173.701 0.440 1
1 1816 . 9 1 1 A 148 148 LYS N N 148 125.399 124.091 1.308 1
1 1817 . 9 1 1 A 148 148 LYS H H 148 8.387 8.401 -0.014 1
1 1818 . 9 1 1 A 148 148 LYS CA C 148 54.186 52.970 1.216 1
1 1819 . 9 1 1 A 148 148 LYS HA H 148 4.617 4.835 -0.218 1
1 1820 . 9 1 1 A 148 148 LYS CB C 148 32.651 35.716 -3.065 1
1 1832 . 9 1 1 A 148 148 LYS C C 148 174.388 174.578 -0.190 1
1 1833 . 9 1 1 A 149 149 PRO CA C 149 63.178 62.773 0.405 1
1 1834 . 9 1 1 A 149 149 PRO HA H 149 4.406 4.501 -0.095 1
1 1835 . 9 1 1 A 149 149 PRO CB C 149 32.164 32.001 0.163 1
1 1844 . 9 1 1 A 150 150 HIS CA C 150 56.264 56.830 -0.566 1
1 1845 . 9 1 1 A 150 150 HIS HA H 150 4.626 4.618 0.008 1
1 1846 . 9 1 1 A 150 150 HIS CB C 150 30.574 31.413 -0.839 1
1 1852 . 9 1 1 A 151 151 SER CA C 151 58.018 57.141 0.877 1
1 1853 . 9 1 1 A 151 151 SER HA H 151 4.475 4.876 -0.401 1
1 1854 . 9 1 1 A 151 151 SER CB C 151 64.139 65.984 -1.845 1
1 1856 . 9 1 1 A 151 151 SER C C 151 174.253 173.571 0.682 1
1 1857 . 9 1 1 A 152 152 GLY N N 152 110.964 108.594 2.370 1
1 1858 . 9 1 1 A 152 152 GLY H H 152 8.276 8.739 -0.463 1
1 1859 . 9 1 1 A 152 152 GLY CA C 152 44.637 43.736 0.901 1
1 1860 . 9 1 1 A 152 152 GLY HA2 H 152 4.120 4.150 -0.030 1
1 1861 . 9 1 1 A 152 152 GLY HA3 H 152 4.120 4.157 -0.037 1
1 1862 . 9 1 1 A 152 152 GLY C C 152 171.668 174.667 -2.999 1
1 1863 . 9 1 1 A 153 153 PRO CA C 153 63.147 63.441 -0.294 1
1 1864 . 9 1 1 A 153 153 PRO HA H 153 4.425 4.481 -0.056 1
1 1865 . 9 1 1 A 153 153 PRO CB C 153 32.149 31.802 0.347 1
1 1874 . 9 1 1 A 153 153 PRO C C 153 176.656 177.471 -0.815 1
1 1875 . 9 1 1 A 154 154 ASP N N 154 120.420 118.295 2.125 1
1 1876 . 9 1 1 A 154 154 ASP H H 154 8.463 8.196 0.267 1
1 1877 . 9 1 1 A 154 154 ASP CA C 154 54.429 54.877 -0.448 1
1 1878 . 9 1 1 A 154 154 ASP HA H 154 4.575 4.324 0.251 1
1 1879 . 9 1 1 A 154 154 ASP CB C 154 40.979 38.554 2.425 1
1 1882 . 9 1 1 A 154 154 ASP C C 154 176.163 176.458 -0.295 1
1 1883 . 9 1 1 A 155 155 LEU N N 155 123.563 122.371 1.192 1
1 1884 . 9 1 1 A 155 155 LEU H H 155 8.266 7.849 0.417 1
1 1885 . 9 1 1 A 155 155 LEU CA C 155 55.022 58.103 -3.081 1
1 1886 . 9 1 1 A 155 155 LEU HA H 155 4.358 3.924 0.434 1
1 1887 . 9 1 1 A 155 155 LEU CB C 155 42.157 41.993 0.164 1
1 1900 . 9 1 1 A 155 155 LEU C C 155 176.990 178.842 -1.852 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.655 57.368 1.287 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.501 4.891 -0.390 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.644 65.176 -1.532 1
1 6 . 10 1 1 A 6 6 SER C C 6 175.063 173.426 1.637 1
1 7 . 10 1 1 A 7 7 GLY N N 7 111.113 112.168 -1.055 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.473 8.687 -0.214 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.373 44.775 0.598 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 3.967 4.049 -0.082 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 3.967 4.049 -0.082 1
1 12 . 10 1 1 A 7 7 GLY C C 7 173.934 172.789 1.145 1
1 13 . 10 1 1 A 8 8 ALA N N 8 123.788 124.822 -1.034 1
1 14 . 10 1 1 A 8 8 ALA H H 8 8.197 8.327 -0.130 1
1 15 . 10 1 1 A 8 8 ALA CA C 8 52.548 51.176 1.372 1
1 16 . 10 1 1 A 8 8 ALA HA H 8 4.342 4.735 -0.393 1
1 17 . 10 1 1 A 8 8 ALA CB C 8 19.403 19.815 -0.412 1
1 21 . 10 1 1 A 8 8 ALA C C 8 177.902 176.868 1.034 1
1 22 . 10 1 1 A 9 9 GLU N N 9 120.004 124.298 -4.294 1
1 23 . 10 1 1 A 9 9 GLU H H 9 8.524 9.023 -0.499 1
1 24 . 10 1 1 A 9 9 GLU CA C 9 56.763 55.481 1.282 1
1 25 . 10 1 1 A 9 9 GLU HA H 9 4.308 4.602 -0.294 1
1 26 . 10 1 1 A 9 9 GLU CB C 9 30.161 30.432 -0.271 1
1 32 . 10 1 1 A 9 9 GLU C C 9 176.646 175.352 1.294 1
1 33 . 10 1 1 A 10 10 SER N N 10 116.268 116.768 -0.500 1
1 34 . 10 1 1 A 10 10 SER H H 10 8.305 7.836 0.469 1
1 35 . 10 1 1 A 10 10 SER CA C 10 58.426 56.593 1.833 1
1 36 . 10 1 1 A 10 10 SER HA H 10 4.429 5.127 -0.698 1
1 37 . 10 1 1 A 10 10 SER CB C 10 63.933 65.477 -1.544 1
1 40 . 10 1 1 A 10 10 SER C C 10 174.267 173.576 0.691 1
1 41 . 10 1 1 A 11 11 GLU N N 11 122.435 126.128 -3.693 1
1 42 . 10 1 1 A 11 11 GLU H H 11 8.368 8.837 -0.469 1
1 43 . 10 1 1 A 11 11 GLU CA C 11 56.233 54.705 1.528 1
1 44 . 10 1 1 A 11 11 GLU HA H 11 4.367 4.799 -0.432 1
1 45 . 10 1 1 A 11 11 GLU CB C 11 30.692 32.727 -2.035 1
1 51 . 10 1 1 A 11 11 GLU C C 11 175.800 176.264 -0.464 1
1 52 . 10 1 1 A 12 12 SER N N 12 116.596 118.370 -1.774 1
1 53 . 10 1 1 A 12 12 SER H H 12 8.299 8.624 -0.325 1
1 54 . 10 1 1 A 12 12 SER CA C 12 58.355 58.752 -0.397 1
1 55 . 10 1 1 A 12 12 SER HA H 12 4.457 4.953 -0.496 1
1 56 . 10 1 1 A 12 12 SER CB C 12 64.573 64.025 0.548 1
1 59 . 10 1 1 A 12 12 SER C C 12 173.309 174.331 -1.022 1
1 60 . 10 1 1 A 13 13 PHE N N 13 121.293 122.088 -0.795 1
1 61 . 10 1 1 A 13 13 PHE H H 13 8.346 9.256 -0.910 1
1 62 . 10 1 1 A 13 13 PHE CA C 13 56.851 57.487 -0.636 1
1 63 . 10 1 1 A 13 13 PHE HA H 13 5.384 5.079 0.305 1
1 64 . 10 1 1 A 13 13 PHE CB C 13 42.542 42.037 0.505 1
1 77 . 10 1 1 A 13 13 PHE C C 13 174.500 175.160 -0.660 1
1 78 . 10 1 1 A 14 14 VAL N N 14 116.020 116.357 -0.337 1
1 79 . 10 1 1 A 14 14 VAL H H 14 9.313 9.180 0.133 1
1 80 . 10 1 1 A 14 14 VAL CA C 14 60.141 59.538 0.603 1
1 81 . 10 1 1 A 14 14 VAL HA H 14 4.455 4.934 -0.479 1
1 82 . 10 1 1 A 14 14 VAL CB C 14 36.318 36.295 0.023 1
1 92 . 10 1 1 A 14 14 VAL C C 14 174.668 174.405 0.263 1
1 93 . 10 1 1 A 15 15 LEU N N 15 121.725 121.663 0.062 1
1 94 . 10 1 1 A 15 15 LEU H H 15 8.476 8.564 -0.088 1
1 95 . 10 1 1 A 15 15 LEU CA C 15 54.800 53.333 1.467 1
1 96 . 10 1 1 A 15 15 LEU HA H 15 4.403 4.701 -0.298 1
1 97 . 10 1 1 A 15 15 LEU CB C 15 39.816 42.972 -3.156 1
1 110 . 10 1 1 A 15 15 LEU C C 15 177.001 176.524 0.477 1
1 111 . 10 1 1 A 16 16 ASP N N 16 126.576 124.959 1.617 1
1 112 . 10 1 1 A 16 16 ASP H H 16 8.766 8.523 0.243 1
1 113 . 10 1 1 A 16 16 ASP CA C 16 52.828 53.319 -0.491 1
1 114 . 10 1 1 A 16 16 ASP HA H 16 5.081 4.846 0.235 1
1 115 . 10 1 1 A 16 16 ASP CB C 16 42.268 41.366 0.902 1
1 118 . 10 1 1 A 16 16 ASP C C 16 174.640 175.702 -1.062 1
1 119 . 10 1 1 A 17 17 PHE N N 17 112.958 118.037 -5.079 1
1 120 . 10 1 1 A 17 17 PHE H H 17 6.915 7.068 -0.153 1
1 121 . 10 1 1 A 17 17 PHE CA C 17 55.489 55.746 -0.257 1
1 122 . 10 1 1 A 17 17 PHE HA H 17 4.938 5.286 -0.348 1
1 123 . 10 1 1 A 17 17 PHE CB C 17 39.154 42.067 -2.913 1
1 136 . 10 1 1 A 17 17 PHE C C 17 173.746 173.999 -0.253 1
1 137 . 10 1 1 A 18 18 SER N N 18 114.977 114.907 0.070 1
1 138 . 10 1 1 A 18 18 SER H H 18 8.569 8.894 -0.325 1
1 139 . 10 1 1 A 18 18 SER CA C 18 57.046 57.898 -0.852 1
1 140 . 10 1 1 A 18 18 SER HA H 18 4.670 4.658 0.012 1
1 141 . 10 1 1 A 18 18 SER CB C 18 63.974 63.834 0.140 1
1 144 . 10 1 1 A 18 18 SER C C 18 175.437 174.668 0.769 1
1 145 . 10 1 1 A 19 19 GLN N N 19 123.586 122.853 0.733 1
1 146 . 10 1 1 A 19 19 GLN H H 19 9.033 8.684 0.349 1
1 147 . 10 1 1 A 19 19 GLN CA C 19 54.023 54.898 -0.875 1
1 148 . 10 1 1 A 19 19 GLN HA H 19 4.558 4.556 0.002 1
1 149 . 10 1 1 A 19 19 GLN CB C 19 27.994 28.464 -0.470 1
1 158 . 10 1 1 A 19 19 GLN C C 19 177.642 176.282 1.360 1
1 159 . 10 1 1 A 20 20 PRO CA C 20 65.836 65.104 0.732 1
1 160 . 10 1 1 A 20 20 PRO HA H 20 4.370 4.526 -0.156 1
1 161 . 10 1 1 A 20 20 PRO CB C 20 32.556 32.365 0.191 1
1 170 . 10 1 1 A 20 20 PRO C C 20 178.374 177.934 0.440 1
1 171 . 10 1 1 A 21 21 SER N N 21 104.386 111.962 -7.576 1
1 172 . 10 1 1 A 21 21 SER H H 21 7.216 8.031 -0.815 1
1 173 . 10 1 1 A 21 21 SER CA C 21 58.886 61.170 -2.284 1
1 174 . 10 1 1 A 21 21 SER HA H 21 3.271 3.863 -0.592 1
1 175 . 10 1 1 A 21 21 SER CB C 21 62.401 62.870 -0.469 1
1 178 . 10 1 1 A 21 21 SER C C 21 174.423 176.758 -2.335 1
1 179 . 10 1 1 A 22 22 ALA N N 22 123.008 122.828 0.180 1
1 180 . 10 1 1 A 22 22 ALA H H 22 7.700 7.878 -0.178 1
1 181 . 10 1 1 A 22 22 ALA CA C 22 53.968 55.678 -1.710 1
1 182 . 10 1 1 A 22 22 ALA HA H 22 4.198 4.101 0.097 1
1 183 . 10 1 1 A 22 22 ALA CB C 22 18.504 19.163 -0.659 1
1 187 . 10 1 1 A 22 22 ALA C C 22 177.624 177.901 -0.277 1
1 188 . 10 1 1 A 23 23 ASP N N 23 117.789 118.002 -0.213 1
1 189 . 10 1 1 A 23 23 ASP H H 23 7.080 7.825 -0.745 1
1 190 . 10 1 1 A 23 23 ASP CA C 23 52.151 53.168 -1.017 1
1 191 . 10 1 1 A 23 23 ASP HA H 23 4.893 4.992 -0.099 1
1 192 . 10 1 1 A 23 23 ASP CB C 23 40.592 40.215 0.377 1
1 195 . 10 1 1 A 23 23 ASP C C 23 175.032 175.999 -0.967 1
1 196 . 10 1 1 A 24 24 TYR N N 24 123.295 126.799 -3.504 1
1 197 . 10 1 1 A 24 24 TYR H H 24 8.217 8.988 -0.771 1
1 198 . 10 1 1 A 24 24 TYR CA C 24 61.711 61.680 0.031 1
1 199 . 10 1 1 A 24 24 TYR HA H 24 4.196 4.091 0.105 1
1 200 . 10 1 1 A 24 24 TYR CB C 24 38.456 39.420 -0.964 1
1 211 . 10 1 1 A 24 24 TYR C C 24 177.434 177.274 0.160 1
1 212 . 10 1 1 A 25 25 LEU N N 25 119.429 121.113 -1.684 1
1 213 . 10 1 1 A 25 25 LEU H H 25 8.074 8.539 -0.465 1
1 214 . 10 1 1 A 25 25 LEU CA C 25 57.691 58.454 -0.763 1
1 215 . 10 1 1 A 25 25 LEU HA H 25 3.967 3.852 0.115 1
1 216 . 10 1 1 A 25 25 LEU CB C 25 41.388 41.510 -0.122 1
1 229 . 10 1 1 A 25 25 LEU C C 25 178.768 178.394 0.374 1
1 230 . 10 1 1 A 26 26 ASP N N 26 119.881 118.763 1.118 1
1 231 . 10 1 1 A 26 26 ASP H H 26 7.561 8.297 -0.736 1
1 232 . 10 1 1 A 26 26 ASP CA C 26 57.625 56.839 0.786 1
1 233 . 10 1 1 A 26 26 ASP HA H 26 4.367 4.340 0.027 1
1 234 . 10 1 1 A 26 26 ASP CB C 26 42.955 41.341 1.614 1
1 237 . 10 1 1 A 26 26 ASP C C 26 177.657 178.442 -0.785 1
1 238 . 10 1 1 A 27 27 PHE N N 27 118.946 120.556 -1.610 1
1 239 . 10 1 1 A 27 27 PHE H H 27 8.750 8.381 0.369 1
1 240 . 10 1 1 A 27 27 PHE CA C 27 61.323 61.163 0.160 1
1 241 . 10 1 1 A 27 27 PHE HA H 27 4.088 4.146 -0.058 1
1 242 . 10 1 1 A 27 27 PHE CB C 27 39.606 39.548 0.058 1
1 255 . 10 1 1 A 27 27 PHE C C 27 176.662 177.235 -0.573 1
1 256 . 10 1 1 A 28 28 ARG N N 28 116.744 118.380 -1.636 1
1 257 . 10 1 1 A 28 28 ARG H H 28 8.079 8.444 -0.365 1
1 258 . 10 1 1 A 28 28 ARG CA C 28 59.051 58.664 0.387 1
1 259 . 10 1 1 A 28 28 ARG HA H 28 3.590 3.890 -0.300 1
1 260 . 10 1 1 A 28 28 ARG CB C 28 29.516 30.052 -0.536 1
1 269 . 10 1 1 A 28 28 ARG C C 28 179.306 178.124 1.182 1
1 270 . 10 1 1 A 29 29 ASN N N 29 119.381 117.990 1.391 1
1 271 . 10 1 1 A 29 29 ASN H H 29 8.106 8.376 -0.270 1
1 272 . 10 1 1 A 29 29 ASN CA C 29 55.861 55.752 0.109 1
1 273 . 10 1 1 A 29 29 ASN HA H 29 4.361 4.340 0.021 1
1 274 . 10 1 1 A 29 29 ASN CB C 29 37.622 38.383 -0.761 1
1 280 . 10 1 1 A 29 29 ASN C C 29 178.555 178.045 0.510 1
1 281 . 10 1 1 A 30 30 ARG N N 30 123.244 119.776 3.468 1
1 282 . 10 1 1 A 30 30 ARG H H 30 8.640 8.062 0.578 1
1 283 . 10 1 1 A 30 30 ARG CA C 30 59.708 58.312 1.396 1
1 284 . 10 1 1 A 30 30 ARG HA H 30 3.912 4.005 -0.093 1
1 285 . 10 1 1 A 30 30 ARG CB C 30 30.910 29.890 1.020 1
1 296 . 10 1 1 A 30 30 ARG C C 30 178.651 178.733 -0.082 1
1 297 . 10 1 1 A 31 31 LEU N N 31 119.911 121.552 -1.641 1
1 298 . 10 1 1 A 31 31 LEU H H 31 7.988 7.656 0.332 1
1 299 . 10 1 1 A 31 31 LEU CA C 31 58.049 56.710 1.339 1
1 300 . 10 1 1 A 31 31 LEU HA H 31 3.409 3.951 -0.542 1
1 301 . 10 1 1 A 31 31 LEU CB C 31 41.342 41.319 0.023 1
1 314 . 10 1 1 A 31 31 LEU C C 31 178.698 178.019 0.679 1
1 315 . 10 1 1 A 32 32 GLN N N 32 114.904 118.134 -3.230 1
1 316 . 10 1 1 A 32 32 GLN H H 32 7.416 7.734 -0.318 1
1 317 . 10 1 1 A 32 32 GLN CA C 32 58.019 57.513 0.506 1
1 318 . 10 1 1 A 32 32 GLN HA H 32 3.891 4.265 -0.374 1
1 319 . 10 1 1 A 32 32 GLN CB C 32 28.679 28.971 -0.292 1
1 328 . 10 1 1 A 32 32 GLN C C 32 176.457 176.996 -0.539 1
1 329 . 10 1 1 A 33 33 ALA N N 33 119.088 121.134 -2.046 1
1 330 . 10 1 1 A 33 33 ALA H H 33 7.791 7.379 0.412 1
1 331 . 10 1 1 A 33 33 ALA CA C 33 54.057 53.141 0.916 1
1 332 . 10 1 1 A 33 33 ALA HA H 33 4.099 4.138 -0.039 1
1 333 . 10 1 1 A 33 33 ALA CB C 33 19.921 19.107 0.814 1
1 337 . 10 1 1 A 33 33 ALA C C 33 178.303 177.604 0.699 1
1 338 . 10 1 1 A 34 34 ASP N N 34 115.377 117.033 -1.656 1
1 339 . 10 1 1 A 34 34 ASP H H 34 8.662 7.949 0.713 1
1 340 . 10 1 1 A 34 34 ASP CA C 34 55.153 53.555 1.598 1
1 341 . 10 1 1 A 34 34 ASP HA H 34 4.698 4.454 0.244 1
1 342 . 10 1 1 A 34 34 ASP CB C 34 41.976 41.542 0.434 1
1 345 . 10 1 1 A 34 34 ASP C C 34 177.531 175.442 2.089 1
1 346 . 10 1 1 A 35 35 HIS N N 35 108.110 116.243 -8.133 1
1 347 . 10 1 1 A 35 35 HIS H H 35 7.018 7.796 -0.778 1
1 348 . 10 1 1 A 35 35 HIS CA C 35 58.336 56.986 1.350 1
1 349 . 10 1 1 A 35 35 HIS HA H 35 4.543 4.392 0.151 1
1 350 . 10 1 1 A 35 35 HIS CB C 35 26.472 26.485 -0.013 1
1 357 . 10 1 1 A 35 35 HIS C C 35 171.507 173.483 -1.976 1
1 358 . 10 1 1 A 36 36 VAL N N 36 115.529 116.836 -1.307 1
1 359 . 10 1 1 A 36 36 VAL H H 36 7.065 7.460 -0.395 1
1 360 . 10 1 1 A 36 36 VAL CA C 36 58.549 60.812 -2.263 1
1 361 . 10 1 1 A 36 36 VAL HA H 36 4.867 4.426 0.441 1
1 362 . 10 1 1 A 36 36 VAL CB C 36 33.135 34.382 -1.247 1
1 372 . 10 1 1 A 36 36 VAL C C 36 171.953 173.803 -1.850 1
1 373 . 10 1 1 A 37 37 CYS N N 37 124.685 124.797 -0.112 1
1 374 . 10 1 1 A 37 37 CYS H H 37 8.694 8.405 0.289 1
1 375 . 10 1 1 A 37 37 CYS CA C 37 59.979 58.634 1.345 1
1 376 . 10 1 1 A 37 37 CYS HA H 37 4.594 5.000 -0.406 1
1 377 . 10 1 1 A 37 37 CYS CB C 37 29.016 31.625 -2.609 1
1 380 . 10 1 1 A 37 37 CYS C C 37 173.445 173.069 0.376 1
1 381 . 10 1 1 A 38 38 LEU N N 38 132.291 127.827 4.464 1
1 382 . 10 1 1 A 38 38 LEU H H 38 9.625 8.922 0.703 1
1 383 . 10 1 1 A 38 38 LEU CA C 38 57.958 55.848 2.110 1
1 384 . 10 1 1 A 38 38 LEU HA H 38 4.167 4.576 -0.409 1
1 385 . 10 1 1 A 38 38 LEU CB C 38 42.189 42.971 -0.782 1
1 398 . 10 1 1 A 38 38 LEU C C 38 173.188 177.117 -3.929 1
1 399 . 10 1 1 A 39 39 GLU N N 39 127.988 127.633 0.355 1
1 400 . 10 1 1 A 39 39 GLU H H 39 9.267 9.173 0.094 1
1 401 . 10 1 1 A 39 39 GLU CA C 39 57.435 58.325 -0.890 1
1 402 . 10 1 1 A 39 39 GLU HA H 39 4.521 4.196 0.325 1
1 403 . 10 1 1 A 39 39 GLU CB C 39 31.891 30.449 1.442 1
1 409 . 10 1 1 A 39 39 GLU C C 39 175.300 176.372 -1.072 1
1 410 . 10 1 1 A 40 40 ASN N N 40 115.109 113.274 1.835 1
1 411 . 10 1 1 A 40 40 ASN H H 40 7.757 7.857 -0.100 1
1 412 . 10 1 1 A 40 40 ASN CA C 40 52.151 51.506 0.645 1
1 413 . 10 1 1 A 40 40 ASN HA H 40 5.353 5.370 -0.017 1
1 414 . 10 1 1 A 40 40 ASN CB C 40 43.324 41.993 1.331 1
1 420 . 10 1 1 A 40 40 ASN C C 40 173.918 173.487 0.431 1
1 421 . 10 1 1 A 41 41 CYS N N 41 120.861 119.783 1.078 1
1 422 . 10 1 1 A 41 41 CYS H H 41 9.646 9.039 0.607 1
1 423 . 10 1 1 A 41 41 CYS CA C 41 58.934 57.120 1.814 1
1 424 . 10 1 1 A 41 41 CYS HA H 41 5.167 5.186 -0.019 1
1 425 . 10 1 1 A 41 41 CYS CB C 41 30.293 30.378 -0.085 1
1 428 . 10 1 1 A 41 41 CYS C C 41 171.600 173.400 -1.800 1
1 429 . 10 1 1 A 42 42 VAL N N 42 126.721 121.959 4.762 1
1 430 . 10 1 1 A 42 42 VAL H H 42 9.532 9.079 0.453 1
1 431 . 10 1 1 A 42 42 VAL CA C 42 60.463 59.292 1.171 1
1 432 . 10 1 1 A 42 42 VAL HA H 42 4.454 5.052 -0.598 1
1 433 . 10 1 1 A 42 42 VAL CB C 42 35.496 35.124 0.372 1
1 443 . 10 1 1 A 42 42 VAL C C 42 173.645 173.725 -0.080 1
1 444 . 10 1 1 A 43 43 LEU N N 43 127.183 124.653 2.530 1
1 445 . 10 1 1 A 43 43 LEU H H 43 8.597 8.747 -0.150 1
1 446 . 10 1 1 A 43 43 LEU CA C 43 54.209 53.909 0.300 1
1 447 . 10 1 1 A 43 43 LEU HA H 43 5.050 4.957 0.093 1
1 448 . 10 1 1 A 43 43 LEU CB C 43 43.450 45.559 -2.109 1
1 461 . 10 1 1 A 43 43 LEU C C 43 176.151 175.431 0.720 1
1 462 . 10 1 1 A 44 44 LYS N N 44 127.086 126.956 0.130 1
1 463 . 10 1 1 A 44 44 LYS H H 44 8.726 9.294 -0.568 1
1 464 . 10 1 1 A 44 44 LYS CA C 44 55.033 55.207 -0.174 1
1 465 . 10 1 1 A 44 44 LYS HA H 44 4.552 4.598 -0.046 1
1 466 . 10 1 1 A 44 44 LYS CB C 44 34.147 34.031 0.116 1
1 478 . 10 1 1 A 44 44 LYS C C 44 175.176 177.459 -2.283 1
1 479 . 10 1 1 A 45 45 ASP N N 45 123.045 121.298 1.747 1
1 480 . 10 1 1 A 45 45 ASP H H 45 8.876 8.827 0.049 1
1 481 . 10 1 1 A 45 45 ASP CA C 45 56.515 57.080 -0.565 1
1 482 . 10 1 1 A 45 45 ASP HA H 45 4.321 4.767 -0.446 1
1 483 . 10 1 1 A 45 45 ASP CB C 45 39.782 40.545 -0.763 1
1 486 . 10 1 1 A 45 45 ASP C C 45 175.339 177.398 -2.059 1
1 487 . 10 1 1 A 46 46 LYS N N 46 118.201 116.568 1.633 1
1 488 . 10 1 1 A 46 46 LYS H H 46 8.620 8.200 0.420 1
1 489 . 10 1 1 A 46 46 LYS CA C 46 56.158 55.343 0.815 1
1 490 . 10 1 1 A 46 46 LYS HA H 46 4.079 4.463 -0.384 1
1 491 . 10 1 1 A 46 46 LYS CB C 46 30.929 32.876 -1.947 1
1 503 . 10 1 1 A 46 46 LYS C C 46 174.615 175.221 -0.606 1
1 504 . 10 1 1 A 47 47 ALA N N 47 121.283 120.133 1.150 1
1 505 . 10 1 1 A 47 47 ALA H H 47 7.611 7.646 -0.035 1
1 506 . 10 1 1 A 47 47 ALA CA C 47 51.809 51.631 0.178 1
1 507 . 10 1 1 A 47 47 ALA HA H 47 5.105 4.748 0.357 1
1 508 . 10 1 1 A 47 47 ALA CB C 47 22.739 22.837 -0.098 1
1 512 . 10 1 1 A 47 47 ALA C C 47 175.508 175.297 0.211 1
1 513 . 10 1 1 A 48 48 ILE N N 48 114.639 114.101 0.538 1
1 514 . 10 1 1 A 48 48 ILE H H 48 8.819 8.530 0.289 1
1 515 . 10 1 1 A 48 48 ILE CA C 48 59.017 59.221 -0.204 1
1 516 . 10 1 1 A 48 48 ILE HA H 48 5.230 5.112 0.118 1
1 517 . 10 1 1 A 48 48 ILE CB C 48 41.811 42.475 -0.664 1
1 530 . 10 1 1 A 48 48 ILE C C 48 172.954 174.231 -1.277 1
1 531 . 10 1 1 A 49 49 ALA N N 49 126.155 122.564 3.591 1
1 532 . 10 1 1 A 49 49 ALA H H 49 8.652 8.262 0.390 1
1 533 . 10 1 1 A 49 49 ALA CA C 49 50.095 51.497 -1.402 1
1 534 . 10 1 1 A 49 49 ALA HA H 49 4.769 4.998 -0.229 1
1 535 . 10 1 1 A 49 49 ALA CB C 49 22.651 21.707 0.944 1
1 539 . 10 1 1 A 49 49 ALA C C 49 175.812 175.535 0.277 1
1 540 . 10 1 1 A 50 50 GLY N N 50 105.980 107.709 -1.729 1
1 541 . 10 1 1 A 50 50 GLY H H 50 6.754 6.837 -0.083 1
1 542 . 10 1 1 A 50 50 GLY CA C 50 46.134 44.672 1.462 1
1 543 . 10 1 1 A 50 50 GLY HA2 H 50 3.803 3.894 -0.091 1
1 544 . 10 1 1 A 50 50 GLY HA3 H 50 4.077 4.052 0.025 1
1 545 . 10 1 1 A 50 50 GLY C C 50 172.510 172.086 0.424 1
1 546 . 10 1 1 A 51 51 THR N N 51 108.648 112.189 -3.541 1
1 547 . 10 1 1 A 51 51 THR H H 51 8.556 8.818 -0.262 1
1 548 . 10 1 1 A 51 51 THR CA C 51 59.116 60.309 -1.193 1
1 549 . 10 1 1 A 51 51 THR HA H 51 5.588 5.603 -0.015 1
1 550 . 10 1 1 A 51 51 THR CB C 51 72.737 70.532 2.205 1
1 556 . 10 1 1 A 51 51 THR C C 51 174.087 173.901 0.186 1
1 557 . 10 1 1 A 52 52 VAL N N 52 122.025 125.989 -3.964 1
1 558 . 10 1 1 A 52 52 VAL H H 52 9.746 9.054 0.692 1
1 559 . 10 1 1 A 52 52 VAL CA C 52 61.371 61.275 0.096 1
1 560 . 10 1 1 A 52 52 VAL HA H 52 4.463 4.727 -0.264 1
1 561 . 10 1 1 A 52 52 VAL CB C 52 36.986 33.569 3.417 1
1 571 . 10 1 1 A 52 52 VAL C C 52 174.687 174.824 -0.137 1
1 572 . 10 1 1 A 53 53 LYS N N 53 125.115 128.514 -3.399 1
1 573 . 10 1 1 A 53 53 LYS H H 53 8.567 9.137 -0.570 1
1 574 . 10 1 1 A 53 53 LYS CA C 53 53.668 55.122 -1.454 1
1 575 . 10 1 1 A 53 53 LYS HA H 53 5.599 5.291 0.308 1
1 576 . 10 1 1 A 53 53 LYS CB C 53 37.855 34.725 3.130 1
1 588 . 10 1 1 A 53 53 LYS C C 53 174.697 175.458 -0.761 1
1 589 . 10 1 1 A 54 54 VAL N N 54 110.661 118.604 -7.943 1
1 590 . 10 1 1 A 54 54 VAL H H 54 8.498 8.857 -0.359 1
1 591 . 10 1 1 A 54 54 VAL CA C 54 57.682 58.869 -1.187 1
1 592 . 10 1 1 A 54 54 VAL HA H 54 4.825 4.618 0.207 1
1 593 . 10 1 1 A 54 54 VAL CB C 54 34.634 35.558 -0.924 1
1 603 . 10 1 1 A 54 54 VAL C C 54 176.105 174.323 1.782 1
1 604 . 10 1 1 A 55 55 GLN N N 55 119.414 120.684 -1.270 1
1 605 . 10 1 1 A 55 55 GLN H H 55 7.924 7.968 -0.044 1
1 606 . 10 1 1 A 55 55 GLN CA C 55 56.023 55.822 0.201 1
1 607 . 10 1 1 A 55 55 GLN HA H 55 4.456 4.548 -0.092 1
1 608 . 10 1 1 A 55 55 GLN CB C 55 30.216 29.898 0.318 1
1 617 . 10 1 1 A 55 55 GLN C C 55 176.800 176.703 0.097 1
1 618 . 10 1 1 A 56 56 ASN N N 56 125.676 120.807 4.869 1
1 619 . 10 1 1 A 56 56 ASN H H 56 8.837 8.933 -0.096 1
1 620 . 10 1 1 A 56 56 ASN CA C 56 53.190 52.894 0.296 1
1 621 . 10 1 1 A 56 56 ASN HA H 56 4.575 4.770 -0.195 1
1 622 . 10 1 1 A 56 56 ASN CB C 56 36.855 37.764 -0.909 1
1 628 . 10 1 1 A 56 56 ASN C C 56 174.747 175.509 -0.762 1
1 629 . 10 1 1 A 57 57 LEU N N 57 124.779 123.034 1.745 1
1 630 . 10 1 1 A 57 57 LEU H H 57 7.284 8.294 -1.010 1
1 631 . 10 1 1 A 57 57 LEU CA C 57 55.224 57.152 -1.928 1
1 632 . 10 1 1 A 57 57 LEU HA H 57 4.326 4.069 0.257 1
1 633 . 10 1 1 A 57 57 LEU CB C 57 43.634 42.466 1.168 1
1 646 . 10 1 1 A 57 57 LEU C C 57 176.186 177.022 -0.836 1
1 647 . 10 1 1 A 58 58 ALA N N 58 119.342 118.248 1.094 1
1 648 . 10 1 1 A 58 58 ALA H H 58 7.724 7.667 0.057 1
1 649 . 10 1 1 A 58 58 ALA CA C 58 51.687 50.026 1.661 1
1 650 . 10 1 1 A 58 58 ALA HA H 58 4.343 4.485 -0.142 1
1 651 . 10 1 1 A 58 58 ALA CB C 58 21.122 21.583 -0.461 1
1 655 . 10 1 1 A 58 58 ALA C C 58 175.847 177.362 -1.515 1
1 656 . 10 1 1 A 59 59 PHE N N 59 118.235 119.975 -1.740 1
1 657 . 10 1 1 A 59 59 PHE H H 59 8.231 8.975 -0.744 1
1 658 . 10 1 1 A 59 59 PHE CA C 59 60.105 60.911 -0.806 1
1 659 . 10 1 1 A 59 59 PHE HA H 59 4.428 4.255 0.173 1
1 660 . 10 1 1 A 59 59 PHE CB C 59 40.386 39.167 1.219 1
1 673 . 10 1 1 A 59 59 PHE C C 59 176.670 176.384 0.286 1
1 674 . 10 1 1 A 60 60 GLU N N 60 120.295 117.559 2.736 1
1 675 . 10 1 1 A 60 60 GLU H H 60 8.482 7.795 0.687 1
1 676 . 10 1 1 A 60 60 GLU CA C 60 57.134 56.731 0.403 1
1 677 . 10 1 1 A 60 60 GLU HA H 60 4.306 4.377 -0.071 1
1 678 . 10 1 1 A 60 60 GLU CB C 60 29.569 29.912 -0.343 1
1 684 . 10 1 1 A 60 60 GLU C C 60 175.584 176.688 -1.104 1
1 685 . 10 1 1 A 61 61 LYS N N 61 123.512 123.321 0.191 1
1 686 . 10 1 1 A 61 61 LYS H H 61 8.377 8.651 -0.274 1
1 687 . 10 1 1 A 61 61 LYS CA C 61 55.939 55.121 0.818 1
1 688 . 10 1 1 A 61 61 LYS HA H 61 5.038 5.123 -0.085 1
1 689 . 10 1 1 A 61 61 LYS CB C 61 37.890 36.750 1.140 1
1 701 . 10 1 1 A 61 61 LYS C C 61 175.510 175.347 0.163 1
1 702 . 10 1 1 A 62 62 THR N N 62 117.107 118.669 -1.562 1
1 703 . 10 1 1 A 62 62 THR H H 62 8.285 8.547 -0.262 1
1 704 . 10 1 1 A 62 62 THR CA C 62 62.340 61.599 0.741 1
1 705 . 10 1 1 A 62 62 THR HA H 62 4.435 4.772 -0.337 1
1 706 . 10 1 1 A 62 62 THR CB C 62 71.605 70.385 1.220 1
1 712 . 10 1 1 A 62 62 THR C C 62 172.156 173.095 -0.939 1
1 713 . 10 1 1 A 63 63 VAL N N 63 128.402 127.502 0.900 1
1 714 . 10 1 1 A 63 63 VAL H H 63 8.719 8.785 -0.066 1
1 715 . 10 1 1 A 63 63 VAL CA C 63 60.707 61.292 -0.585 1
1 716 . 10 1 1 A 63 63 VAL HA H 63 4.755 4.469 0.286 1
1 717 . 10 1 1 A 63 63 VAL CB C 63 35.210 32.087 3.123 1
1 727 . 10 1 1 A 63 63 VAL C C 63 174.313 175.374 -1.061 1
1 728 . 10 1 1 A 64 64 LYS N N 64 123.629 125.444 -1.815 1
1 729 . 10 1 1 A 64 64 LYS H H 64 8.519 8.538 -0.019 1
1 730 . 10 1 1 A 64 64 LYS CA C 64 54.850 54.738 0.112 1
1 731 . 10 1 1 A 64 64 LYS HA H 64 4.997 5.077 -0.080 1
1 732 . 10 1 1 A 64 64 LYS CB C 64 37.343 36.312 1.031 1
1 744 . 10 1 1 A 64 64 LYS C C 64 173.348 175.067 -1.719 1
1 745 . 10 1 1 A 65 65 ILE N N 65 119.250 124.416 -5.166 1
1 746 . 10 1 1 A 65 65 ILE H H 65 8.637 8.848 -0.211 1
1 747 . 10 1 1 A 65 65 ILE CA C 65 57.894 60.090 -2.196 1
1 748 . 10 1 1 A 65 65 ILE HA H 65 4.451 4.789 -0.338 1
1 749 . 10 1 1 A 65 65 ILE CB C 65 37.638 38.795 -1.157 1
1 762 . 10 1 1 A 65 65 ILE C C 65 174.893 175.174 -0.281 1
1 763 . 10 1 1 A 66 66 ARG N N 66 130.193 125.818 4.375 1
1 764 . 10 1 1 A 66 66 ARG H H 66 9.244 8.727 0.517 1
1 765 . 10 1 1 A 66 66 ARG CA C 66 55.930 54.944 0.986 1
1 766 . 10 1 1 A 66 66 ARG HA H 66 5.440 5.263 0.177 1
1 767 . 10 1 1 A 66 66 ARG CB C 66 31.514 32.202 -0.688 1
1 778 . 10 1 1 A 66 66 ARG C C 66 174.161 174.673 -0.512 1
1 779 . 10 1 1 A 67 67 MET N N 67 128.046 122.984 5.062 1
1 780 . 10 1 1 A 67 67 MET H H 67 9.343 9.238 0.105 1
1 781 . 10 1 1 A 67 67 MET CA C 67 54.217 53.847 0.370 1
1 782 . 10 1 1 A 67 67 MET HA H 67 5.318 5.200 0.118 1
1 783 . 10 1 1 A 67 67 MET CB C 67 37.533 35.776 1.757 1
1 793 . 10 1 1 A 67 67 MET C C 67 173.432 173.896 -0.464 1
1 794 . 10 1 1 A 68 68 THR N N 68 118.404 119.879 -1.475 1
1 795 . 10 1 1 A 68 68 THR H H 68 8.474 8.462 0.012 1
1 796 . 10 1 1 A 68 68 THR CA C 68 58.903 59.256 -0.353 1
1 797 . 10 1 1 A 68 68 THR HA H 68 3.948 4.749 -0.801 1
1 798 . 10 1 1 A 68 68 THR CB C 68 71.091 71.435 -0.344 1
1 804 . 10 1 1 A 68 68 THR C C 68 170.783 173.136 -2.353 1
1 805 . 10 1 1 A 69 69 PHE N N 69 124.029 123.199 0.830 1
1 806 . 10 1 1 A 69 69 PHE H H 69 8.910 9.020 -0.110 1
1 807 . 10 1 1 A 69 69 PHE CA C 69 55.772 57.860 -2.088 1
1 808 . 10 1 1 A 69 69 PHE HA H 69 4.783 4.743 0.040 1
1 809 . 10 1 1 A 69 69 PHE CB C 69 39.748 40.925 -1.177 1
1 822 . 10 1 1 A 69 69 PHE C C 69 174.951 175.033 -0.082 1
1 823 . 10 1 1 A 70 70 ASP N N 70 121.457 119.481 1.976 1
1 824 . 10 1 1 A 70 70 ASP H H 70 8.841 7.325 1.516 1
1 825 . 10 1 1 A 70 70 ASP CA C 70 52.288 52.795 -0.507 1
1 826 . 10 1 1 A 70 70 ASP HA H 70 4.661 5.010 -0.349 1
1 827 . 10 1 1 A 70 70 ASP CB C 70 40.026 41.636 -1.610 1
1 830 . 10 1 1 A 70 70 ASP C C 70 177.065 176.035 1.030 1
1 831 . 10 1 1 A 71 71 THR N N 71 114.661 112.036 2.625 1
1 832 . 10 1 1 A 71 71 THR H H 71 8.724 8.116 0.608 1
1 833 . 10 1 1 A 71 71 THR CA C 71 63.824 62.942 0.882 1
1 834 . 10 1 1 A 71 71 THR HA H 71 3.181 4.147 -0.966 1
1 835 . 10 1 1 A 71 71 THR CB C 71 66.535 66.651 -0.116 1
1 841 . 10 1 1 A 71 71 THR C C 71 173.648 173.860 -0.212 1
1 842 . 10 1 1 A 72 72 TRP N N 72 111.097 115.943 -4.846 1
1 843 . 10 1 1 A 72 72 TRP H H 72 8.854 7.934 0.920 1
1 844 . 10 1 1 A 72 72 TRP CA C 72 58.910 57.908 1.002 1
1 845 . 10 1 1 A 72 72 TRP HA H 72 3.951 4.271 -0.320 1
1 846 . 10 1 1 A 72 72 TRP CB C 72 24.332 26.667 -2.335 1
1 861 . 10 1 1 A 72 72 TRP C C 72 176.875 176.102 0.773 1
1 862 . 10 1 1 A 73 73 LYS N N 73 124.701 117.906 6.795 1
1 863 . 10 1 1 A 73 73 LYS H H 73 7.785 8.212 -0.427 1
1 864 . 10 1 1 A 73 73 LYS CA C 73 60.463 57.619 2.844 1
1 865 . 10 1 1 A 73 73 LYS HA H 73 4.174 4.453 -0.279 1
1 866 . 10 1 1 A 73 73 LYS CB C 73 31.024 34.049 -3.025 1
1 878 . 10 1 1 A 73 73 LYS C C 73 177.622 176.809 0.813 1
1 879 . 10 1 1 A 74 74 SER N N 74 117.041 111.948 5.093 1
1 880 . 10 1 1 A 74 74 SER H H 74 10.002 8.000 2.002 1
1 881 . 10 1 1 A 74 74 SER CA C 74 57.539 56.863 0.676 1
1 882 . 10 1 1 A 74 74 SER HA H 74 4.556 4.787 -0.231 1
1 883 . 10 1 1 A 74 74 SER CB C 74 66.372 63.910 2.462 1
1 886 . 10 1 1 A 74 74 SER C C 74 171.956 172.163 -0.207 1
1 887 . 10 1 1 A 75 75 TYR N N 75 113.320 124.574 -11.254 1
1 888 . 10 1 1 A 75 75 TYR H H 75 7.735 8.662 -0.927 1
1 889 . 10 1 1 A 75 75 TYR CA C 75 57.155 55.075 2.080 1
1 890 . 10 1 1 A 75 75 TYR HA H 75 5.229 5.555 -0.326 1
1 891 . 10 1 1 A 75 75 TYR CB C 75 40.745 41.665 -0.920 1
1 902 . 10 1 1 A 75 75 TYR C C 75 174.262 173.932 0.330 1
1 903 . 10 1 1 A 76 76 THR N N 76 117.158 113.840 3.318 1
1 904 . 10 1 1 A 76 76 THR H H 76 9.212 8.696 0.516 1
1 905 . 10 1 1 A 76 76 THR CA C 76 62.104 60.874 1.230 1
1 906 . 10 1 1 A 76 76 THR HA H 76 4.318 4.875 -0.557 1
1 907 . 10 1 1 A 76 76 THR CB C 76 72.675 72.380 0.295 1
1 913 . 10 1 1 A 76 76 THR C C 76 171.344 172.203 -0.859 1
1 914 . 10 1 1 A 77 77 ASP N N 77 125.875 124.763 1.112 1
1 915 . 10 1 1 A 77 77 ASP H H 77 8.569 8.698 -0.129 1
1 916 . 10 1 1 A 77 77 ASP CA C 77 52.422 54.331 -1.909 1
1 917 . 10 1 1 A 77 77 ASP HA H 77 5.865 4.902 0.963 1
1 918 . 10 1 1 A 77 77 ASP CB C 77 41.512 41.579 -0.067 1
1 921 . 10 1 1 A 77 77 ASP C C 77 175.921 174.708 1.213 1
1 922 . 10 1 1 A 78 78 PHE N N 78 125.666 122.733 2.933 1
1 923 . 10 1 1 A 78 78 PHE H H 78 9.992 8.351 1.641 1
1 924 . 10 1 1 A 78 78 PHE CA C 78 55.578 55.645 -0.067 1
1 925 . 10 1 1 A 78 78 PHE HA H 78 4.943 4.986 -0.043 1
1 926 . 10 1 1 A 78 78 PHE CB C 78 40.375 40.495 -0.120 1
1 939 . 10 1 1 A 78 78 PHE C C 78 173.610 174.071 -0.461 1
1 940 . 10 1 1 A 79 79 PRO CA C 79 63.363 63.231 0.132 1
1 941 . 10 1 1 A 79 79 PRO HA H 79 4.615 4.574 0.041 1
1 942 . 10 1 1 A 79 79 PRO CB C 79 32.787 32.495 0.292 1
1 951 . 10 1 1 A 79 79 PRO C C 79 176.681 176.247 0.434 1
1 952 . 10 1 1 A 80 80 CYS N N 80 117.289 120.479 -3.190 1
1 953 . 10 1 1 A 80 80 CYS H H 80 8.308 8.141 0.167 1
1 954 . 10 1 1 A 80 80 CYS CA C 80 57.675 58.985 -1.310 1
1 955 . 10 1 1 A 80 80 CYS HA H 80 5.242 5.080 0.162 1
1 956 . 10 1 1 A 80 80 CYS CB C 80 30.658 29.725 0.933 1
1 959 . 10 1 1 A 80 80 CYS C C 80 174.899 174.839 0.060 1
1 960 . 10 1 1 A 81 81 GLN N N 81 122.188 121.679 0.509 1
1 961 . 10 1 1 A 81 81 GLN H H 81 9.312 8.589 0.723 1
1 962 . 10 1 1 A 81 81 GLN CA C 81 54.620 54.136 0.484 1
1 963 . 10 1 1 A 81 81 GLN HA H 81 4.911 4.822 0.089 1
1 964 . 10 1 1 A 81 81 GLN CB C 81 31.213 29.565 1.648 1
1 973 . 10 1 1 A 81 81 GLN C C 81 175.035 174.229 0.806 1
1 974 . 10 1 1 A 82 82 TYR N N 82 125.814 122.144 3.670 1
1 975 . 10 1 1 A 82 82 TYR H H 82 8.919 8.979 -0.060 1
1 976 . 10 1 1 A 82 82 TYR CA C 82 58.764 56.201 2.563 1
1 977 . 10 1 1 A 82 82 TYR HA H 82 3.403 5.146 -1.743 1
1 978 . 10 1 1 A 82 82 TYR CB C 82 38.346 41.163 -2.817 1
1 989 . 10 1 1 A 82 82 TYR C C 82 175.413 173.897 1.516 1
1 990 . 10 1 1 A 83 83 VAL N N 83 129.316 127.129 2.187 1
1 991 . 10 1 1 A 83 83 VAL H H 83 7.782 8.257 -0.475 1
1 992 . 10 1 1 A 83 83 VAL CA C 83 61.693 61.956 -0.263 1
1 993 . 10 1 1 A 83 83 VAL HA H 83 3.758 4.268 -0.510 1
1 994 . 10 1 1 A 83 83 VAL CB C 83 32.564 32.181 0.383 1
1 1004 . 10 1 1 A 83 83 VAL C C 83 173.771 174.076 -0.305 1
1 1005 . 10 1 1 A 84 84 LYS N N 84 126.665 128.257 -1.592 1
1 1006 . 10 1 1 A 84 84 LYS H H 84 8.174 8.728 -0.554 1
1 1007 . 10 1 1 A 84 84 LYS CA C 84 56.144 55.217 0.927 1
1 1008 . 10 1 1 A 84 84 LYS HA H 84 4.016 4.754 -0.738 1
1 1009 . 10 1 1 A 84 84 LYS CB C 84 32.170 33.271 -1.101 1
1 1021 . 10 1 1 A 84 84 LYS C C 84 175.610 174.861 0.749 1
1 1022 . 10 1 1 A 85 85 ASP N N 85 124.262 125.966 -1.704 1
1 1023 . 10 1 1 A 85 85 ASP H H 85 7.864 8.368 -0.504 1
1 1024 . 10 1 1 A 85 85 ASP CA C 85 53.349 53.434 -0.085 1
1 1025 . 10 1 1 A 85 85 ASP HA H 85 4.678 5.032 -0.354 1
1 1026 . 10 1 1 A 85 85 ASP CB C 85 41.683 44.164 -2.481 1
1 1029 . 10 1 1 A 85 85 ASP C C 85 176.841 175.780 1.061 1
1 1030 . 10 1 1 A 86 86 THR N N 86 113.656 119.163 -5.507 1
1 1031 . 10 1 1 A 86 86 THR H H 86 8.065 9.009 -0.944 1
1 1032 . 10 1 1 A 86 86 THR CA C 86 63.274 66.371 -3.097 1
1 1033 . 10 1 1 A 86 86 THR HA H 86 4.086 3.905 0.181 1
1 1034 . 10 1 1 A 86 86 THR CB C 86 69.257 68.742 0.515 1
1 1040 . 10 1 1 A 86 86 THR C C 86 174.589 175.395 -0.806 1
1 1041 . 10 1 1 A 87 87 TYR N N 87 120.837 121.800 -0.963 1
1 1042 . 10 1 1 A 87 87 TYR H H 87 8.064 7.633 0.431 1
1 1043 . 10 1 1 A 87 87 TYR CA C 87 58.054 57.338 0.716 1
1 1044 . 10 1 1 A 87 87 TYR HA H 87 4.527 4.588 -0.061 1
1 1045 . 10 1 1 A 87 87 TYR CB C 87 38.297 36.964 1.333 1
1 1056 . 10 1 1 A 87 87 TYR C C 87 175.590 174.468 1.122 1
1 1057 . 10 1 1 A 88 88 ALA N N 88 125.226 121.310 3.916 1
1 1058 . 10 1 1 A 88 88 ALA H H 88 7.963 7.582 0.381 1
1 1059 . 10 1 1 A 88 88 ALA CA C 88 53.104 51.672 1.432 1
1 1060 . 10 1 1 A 88 88 ALA HA H 88 4.389 4.835 -0.446 1
1 1061 . 10 1 1 A 88 88 ALA CB C 88 19.127 22.283 -3.156 1
1 1065 . 10 1 1 A 88 88 ALA C C 88 178.497 177.290 1.207 1
1 1066 . 10 1 1 A 89 89 GLY N N 89 109.029 112.158 -3.129 1
1 1067 . 10 1 1 A 89 89 GLY H H 89 8.479 8.778 -0.299 1
1 1068 . 10 1 1 A 89 89 GLY CA C 89 45.426 45.616 -0.190 1
1 1069 . 10 1 1 A 89 89 GLY HA2 H 89 3.952 4.039 -0.087 1
1 1070 . 10 1 1 A 89 89 GLY HA3 H 89 4.079 4.051 0.028 1
1 1071 . 10 1 1 A 89 89 GLY C C 89 174.563 174.924 -0.361 1
1 1072 . 10 1 1 A 90 90 SER N N 90 115.638 117.274 -1.636 1
1 1073 . 10 1 1 A 90 90 SER H H 90 8.232 8.143 0.089 1
1 1074 . 10 1 1 A 90 90 SER CA C 90 58.443 61.299 -2.856 1
1 1075 . 10 1 1 A 90 90 SER HA H 90 4.574 4.122 0.452 1
1 1076 . 10 1 1 A 90 90 SER CB C 90 63.865 62.909 0.956 1
1 1079 . 10 1 1 A 90 90 SER C C 90 174.212 176.040 -1.828 1
1 1080 . 10 1 1 A 91 91 ASP N N 91 120.185 118.190 1.995 1
1 1081 . 10 1 1 A 91 91 ASP H H 91 8.691 7.986 0.705 1
1 1082 . 10 1 1 A 91 91 ASP CA C 91 55.012 55.559 -0.547 1
1 1083 . 10 1 1 A 91 91 ASP HA H 91 4.684 4.684 0.000 1
1 1084 . 10 1 1 A 91 91 ASP CB C 91 40.643 42.368 -1.725 1
1 1087 . 10 1 1 A 91 91 ASP C C 91 176.350 176.141 0.209 1
1 1088 . 10 1 1 A 92 92 ARG N N 92 119.690 116.874 2.816 1
1 1089 . 10 1 1 A 92 92 ARG H H 92 8.072 7.519 0.553 1
1 1090 . 10 1 1 A 92 92 ARG CA C 92 54.941 54.505 0.436 1
1 1091 . 10 1 1 A 92 92 ARG HA H 92 5.022 4.793 0.229 1
1 1092 . 10 1 1 A 92 92 ARG CB C 92 32.816 34.755 -1.939 1
1 1101 . 10 1 1 A 92 92 ARG C C 92 174.072 174.976 -0.904 1
1 1102 . 10 1 1 A 93 93 ASP N N 93 119.716 121.081 -1.365 1
1 1103 . 10 1 1 A 93 93 ASP H H 93 8.550 8.406 0.144 1
1 1104 . 10 1 1 A 93 93 ASP CA C 93 53.411 54.239 -0.828 1
1 1105 . 10 1 1 A 93 93 ASP HA H 93 5.108 4.913 0.195 1
1 1106 . 10 1 1 A 93 93 ASP CB C 93 46.005 41.452 4.553 1
1 1109 . 10 1 1 A 93 93 ASP C C 93 174.776 175.586 -0.810 1
1 1110 . 10 1 1 A 94 94 THR N N 94 116.481 117.847 -1.366 1
1 1111 . 10 1 1 A 94 94 THR H H 94 8.932 8.498 0.434 1
1 1112 . 10 1 1 A 94 94 THR CA C 94 62.287 61.343 0.944 1
1 1113 . 10 1 1 A 94 94 THR HA H 94 5.232 4.851 0.381 1
1 1114 . 10 1 1 A 94 94 THR CB C 94 70.008 70.599 -0.591 1
1 1120 . 10 1 1 A 94 94 THR C C 94 171.982 173.282 -1.300 1
1 1121 . 10 1 1 A 95 95 PHE N N 95 124.488 126.662 -2.174 1
1 1122 . 10 1 1 A 95 95 PHE H H 95 9.347 8.862 0.485 1
1 1123 . 10 1 1 A 95 95 PHE CA C 95 55.834 57.716 -1.882 1
1 1124 . 10 1 1 A 95 95 PHE HA H 95 5.321 4.947 0.374 1
1 1125 . 10 1 1 A 95 95 PHE CB C 95 43.478 41.367 2.111 1
1 1138 . 10 1 1 A 95 95 PHE C C 95 174.780 174.694 0.086 1
1 1139 . 10 1 1 A 96 96 SER N N 96 117.417 115.490 1.927 1
1 1140 . 10 1 1 A 96 96 SER H H 96 10.108 8.947 1.161 1
1 1141 . 10 1 1 A 96 96 SER CA C 96 56.388 56.519 -0.131 1
1 1142 . 10 1 1 A 96 96 SER HA H 96 5.575 5.405 0.170 1
1 1143 . 10 1 1 A 96 96 SER CB C 96 67.188 66.194 0.994 1
1 1146 . 10 1 1 A 96 96 SER C C 96 173.079 172.617 0.462 1
1 1147 . 10 1 1 A 97 97 PHE N N 97 114.813 118.989 -4.176 1
1 1148 . 10 1 1 A 97 97 PHE H H 97 7.991 8.520 -0.529 1
1 1149 . 10 1 1 A 97 97 PHE CA C 97 56.003 55.649 0.354 1
1 1150 . 10 1 1 A 97 97 PHE HA H 97 5.249 5.381 -0.132 1
1 1151 . 10 1 1 A 97 97 PHE CB C 97 42.008 42.562 -0.554 1
1 1164 . 10 1 1 A 97 97 PHE C C 97 174.316 173.135 1.181 1
1 1165 . 10 1 1 A 98 98 ASP N N 98 121.809 120.272 1.537 1
1 1166 . 10 1 1 A 98 98 ASP H H 98 8.297 9.018 -0.721 1
1 1167 . 10 1 1 A 98 98 ASP CA C 98 54.789 53.134 1.655 1
1 1168 . 10 1 1 A 98 98 ASP HA H 98 5.006 5.289 -0.283 1
1 1169 . 10 1 1 A 98 98 ASP CB C 98 42.282 42.295 -0.013 1
1 1172 . 10 1 1 A 98 98 ASP C C 98 174.959 174.829 0.130 1
1 1173 . 10 1 1 A 99 99 ILE N N 99 126.714 125.269 1.445 1
1 1174 . 10 1 1 A 99 99 ILE H H 99 9.331 8.842 0.489 1
1 1175 . 10 1 1 A 99 99 ILE CA C 99 60.455 60.164 0.291 1
1 1176 . 10 1 1 A 99 99 ILE HA H 99 4.016 4.511 -0.495 1
1 1177 . 10 1 1 A 99 99 ILE CB C 99 42.110 39.779 2.331 1
1 1190 . 10 1 1 A 99 99 ILE C C 99 175.019 175.049 -0.030 1
1 1191 . 10 1 1 A 100 100 SER N N 100 122.590 121.481 1.109 1
1 1192 . 10 1 1 A 100 100 SER H H 100 8.345 8.611 -0.266 1
1 1193 . 10 1 1 A 100 100 SER CA C 100 58.848 56.370 2.478 1
1 1194 . 10 1 1 A 100 100 SER HA H 100 4.527 5.037 -0.510 1
1 1195 . 10 1 1 A 100 100 SER CB C 100 63.482 64.015 -0.533 1
1 1198 . 10 1 1 A 100 100 SER C C 100 173.557 174.184 -0.627 1
1 1199 . 10 1 1 A 101 101 LEU N N 101 124.776 127.019 -2.243 1
1 1200 . 10 1 1 A 101 101 LEU H H 101 8.277 9.029 -0.752 1
1 1201 . 10 1 1 A 101 101 LEU CA C 101 52.430 53.157 -0.727 1
1 1202 . 10 1 1 A 101 101 LEU HA H 101 4.375 4.661 -0.286 1
1 1203 . 10 1 1 A 101 101 LEU CB C 101 40.427 41.020 -0.593 1
1 1216 . 10 1 1 A 101 101 LEU C C 101 174.363 174.418 -0.055 1
1 1217 . 10 1 1 A 102 102 PRO CA C 102 62.488 62.386 0.102 1
1 1218 . 10 1 1 A 102 102 PRO HA H 102 4.259 4.423 -0.164 1
1 1219 . 10 1 1 A 102 102 PRO CB C 102 32.073 32.335 -0.262 1
1 1228 . 10 1 1 A 102 102 PRO C C 102 175.687 177.782 -2.095 1
1 1229 . 10 1 1 A 103 103 GLU N N 103 118.843 121.333 -2.490 1
1 1230 . 10 1 1 A 103 103 GLU H H 103 8.286 8.637 -0.351 1
1 1231 . 10 1 1 A 103 103 GLU CA C 103 58.131 59.118 -0.987 1
1 1232 . 10 1 1 A 103 103 GLU HA H 103 4.013 4.083 -0.070 1
1 1233 . 10 1 1 A 103 103 GLU CB C 103 30.344 29.110 1.234 1
1 1239 . 10 1 1 A 103 103 GLU C C 103 176.869 175.961 0.908 1
1 1240 . 10 1 1 A 104 104 LYS N N 104 116.544 118.065 -1.521 1
1 1241 . 10 1 1 A 104 104 LYS H H 104 7.869 7.607 0.262 1
1 1242 . 10 1 1 A 104 104 LYS CA C 104 55.314 55.001 0.313 1
1 1243 . 10 1 1 A 104 104 LYS HA H 104 4.474 4.913 -0.439 1
1 1244 . 10 1 1 A 104 104 LYS CB C 104 33.428 37.177 -3.749 1
1 1256 . 10 1 1 A 104 104 LYS C C 104 175.231 174.793 0.438 1
1 1257 . 10 1 1 A 105 105 ILE N N 105 122.507 121.651 0.856 1
1 1258 . 10 1 1 A 105 105 ILE H H 105 8.236 8.616 -0.380 1
1 1259 . 10 1 1 A 105 105 ILE CA C 105 60.636 60.667 -0.031 1
1 1260 . 10 1 1 A 105 105 ILE HA H 105 4.190 4.778 -0.588 1
1 1261 . 10 1 1 A 105 105 ILE CB C 105 39.685 41.176 -1.491 1
1 1274 . 10 1 1 A 105 105 ILE C C 105 176.091 174.688 1.403 1
1 1275 . 10 1 1 A 106 106 GLN N N 106 124.467 127.965 -3.498 1
1 1276 . 10 1 1 A 106 106 GLN H H 106 8.752 9.217 -0.465 1
1 1277 . 10 1 1 A 106 106 GLN CA C 106 56.244 54.158 2.086 1
1 1278 . 10 1 1 A 106 106 GLN HA H 106 4.243 4.925 -0.682 1
1 1279 . 10 1 1 A 106 106 GLN CB C 106 28.717 30.756 -2.039 1
1 1288 . 10 1 1 A 106 106 GLN C C 106 177.593 175.887 1.706 1
1 1289 . 10 1 1 A 107 107 SER N N 107 116.963 117.467 -0.504 1
1 1290 . 10 1 1 A 107 107 SER H H 107 8.623 8.770 -0.147 1
1 1291 . 10 1 1 A 107 107 SER CA C 107 60.530 57.106 3.424 1
1 1292 . 10 1 1 A 107 107 SER HA H 107 4.152 4.528 -0.376 1
1 1293 . 10 1 1 A 107 107 SER CB C 107 63.187 61.389 1.798 1
1 1296 . 10 1 1 A 107 107 SER C C 107 174.222 174.651 -0.429 1
1 1297 . 10 1 1 A 108 108 TYR N N 108 116.323 122.912 -6.589 1
1 1298 . 10 1 1 A 108 108 TYR H H 108 7.330 7.925 -0.595 1
1 1299 . 10 1 1 A 108 108 TYR CA C 108 56.727 59.187 -2.460 1
1 1300 . 10 1 1 A 108 108 TYR HA H 108 4.655 4.698 -0.043 1
1 1301 . 10 1 1 A 108 108 TYR CB C 108 37.491 39.672 -2.181 1
1 1312 . 10 1 1 A 108 108 TYR C C 108 175.768 175.052 0.716 1
1 1313 . 10 1 1 A 109 109 GLU N N 109 120.523 119.265 1.258 1
1 1314 . 10 1 1 A 109 109 GLU H H 109 7.587 6.682 0.905 1
1 1315 . 10 1 1 A 109 109 GLU CA C 109 55.573 53.945 1.628 1
1 1316 . 10 1 1 A 109 109 GLU HA H 109 4.582 4.616 -0.034 1
1 1317 . 10 1 1 A 109 109 GLU CB C 109 31.360 32.371 -1.011 1
1 1323 . 10 1 1 A 109 109 GLU C C 109 176.013 174.629 1.384 1
1 1324 . 10 1 1 A 110 110 ARG N N 110 118.559 123.616 -5.057 1
1 1325 . 10 1 1 A 110 110 ARG H H 110 8.441 8.435 0.006 1
1 1326 . 10 1 1 A 110 110 ARG CA C 110 55.667 56.062 -0.395 1
1 1327 . 10 1 1 A 110 110 ARG HA H 110 4.786 4.544 0.242 1
1 1328 . 10 1 1 A 110 110 ARG CB C 110 32.404 31.425 0.979 1
1 1339 . 10 1 1 A 110 110 ARG C C 110 174.387 174.531 -0.144 1
1 1340 . 10 1 1 A 111 111 MET N N 111 122.471 124.702 -2.231 1
1 1341 . 10 1 1 A 111 111 MET H H 111 8.665 8.845 -0.180 1
1 1342 . 10 1 1 A 111 111 MET CA C 111 54.151 53.889 0.262 1
1 1343 . 10 1 1 A 111 111 MET HA H 111 5.167 4.961 0.206 1
1 1344 . 10 1 1 A 111 111 MET CB C 111 35.735 35.008 0.727 1
1 1354 . 10 1 1 A 111 111 MET C C 111 174.924 174.548 0.376 1
1 1355 . 10 1 1 A 112 112 GLU N N 112 119.500 125.402 -5.902 1
1 1356 . 10 1 1 A 112 112 GLU H H 112 7.951 8.582 -0.631 1
1 1357 . 10 1 1 A 112 112 GLU CA C 112 53.909 54.319 -0.410 1
1 1358 . 10 1 1 A 112 112 GLU HA H 112 5.662 4.975 0.687 1
1 1359 . 10 1 1 A 112 112 GLU CB C 112 35.198 34.105 1.093 1
1 1365 . 10 1 1 A 112 112 GLU C C 112 174.483 174.734 -0.251 1
1 1366 . 10 1 1 A 113 113 PHE N N 113 115.033 117.287 -2.254 1
1 1367 . 10 1 1 A 113 113 PHE H H 113 9.278 8.673 0.605 1
1 1368 . 10 1 1 A 113 113 PHE CA C 113 55.857 56.238 -0.381 1
1 1369 . 10 1 1 A 113 113 PHE HA H 113 6.262 5.072 1.190 1
1 1370 . 10 1 1 A 113 113 PHE CB C 113 43.656 41.913 1.743 1
1 1383 . 10 1 1 A 113 113 PHE C C 113 172.253 172.645 -0.392 1
1 1384 . 10 1 1 A 114 114 ALA N N 114 121.461 122.228 -0.767 1
1 1385 . 10 1 1 A 114 114 ALA H H 114 9.475 8.803 0.672 1
1 1386 . 10 1 1 A 114 114 ALA CA C 114 50.860 50.730 0.130 1
1 1387 . 10 1 1 A 114 114 ALA HA H 114 5.026 5.470 -0.444 1
1 1388 . 10 1 1 A 114 114 ALA CB C 114 23.129 23.379 -0.250 1
1 1392 . 10 1 1 A 114 114 ALA C C 114 174.903 175.904 -1.001 1
1 1393 . 10 1 1 A 115 115 VAL N N 115 120.899 121.558 -0.659 1
1 1394 . 10 1 1 A 115 115 VAL H H 115 8.928 8.822 0.106 1
1 1395 . 10 1 1 A 115 115 VAL CA C 115 61.379 62.111 -0.732 1
1 1396 . 10 1 1 A 115 115 VAL HA H 115 4.798 4.658 0.140 1
1 1397 . 10 1 1 A 115 115 VAL CB C 115 34.712 32.306 2.406 1
1 1407 . 10 1 1 A 115 115 VAL C C 115 174.444 174.568 -0.124 1
1 1408 . 10 1 1 A 116 116 TYR N N 116 123.426 127.744 -4.318 1
1 1409 . 10 1 1 A 116 116 TYR H H 116 8.963 8.455 0.508 1
1 1410 . 10 1 1 A 116 116 TYR CA C 116 55.480 54.492 0.988 1
1 1411 . 10 1 1 A 116 116 TYR HA H 116 5.081 4.713 0.368 1
1 1412 . 10 1 1 A 116 116 TYR CB C 116 38.928 40.400 -1.472 1
1 1423 . 10 1 1 A 116 116 TYR C C 116 172.208 172.828 -0.620 1
1 1424 . 10 1 1 A 117 117 TYR N N 117 123.249 130.425 -7.176 1
1 1425 . 10 1 1 A 117 117 TYR H H 117 8.858 8.762 0.096 1
1 1426 . 10 1 1 A 117 117 TYR CA C 117 52.371 56.278 -3.907 1
1 1427 . 10 1 1 A 117 117 TYR HA H 117 5.528 4.834 0.694 1
1 1428 . 10 1 1 A 117 117 TYR CB C 117 41.509 40.784 0.725 1
1 1439 . 10 1 1 A 117 117 TYR C C 117 173.159 173.401 -0.242 1
1 1440 . 10 1 1 A 118 118 GLU N N 118 127.681 127.155 0.526 1
1 1441 . 10 1 1 A 118 118 GLU H H 118 9.368 8.380 0.988 1
1 1442 . 10 1 1 A 118 118 GLU CA C 118 54.179 54.886 -0.707 1
1 1443 . 10 1 1 A 118 118 GLU HA H 118 5.085 4.748 0.337 1
1 1444 . 10 1 1 A 118 118 GLU CB C 118 32.099 31.543 0.556 1
1 1450 . 10 1 1 A 118 118 GLU C C 118 175.565 175.038 0.527 1
1 1451 . 10 1 1 A 119 119 CYS N N 119 122.152 124.074 -1.922 1
1 1452 . 10 1 1 A 119 119 CYS H H 119 8.323 7.991 0.332 1
1 1453 . 10 1 1 A 119 119 CYS CA C 119 58.248 58.467 -0.219 1
1 1454 . 10 1 1 A 119 119 CYS HA H 119 4.479 4.558 -0.079 1
1 1455 . 10 1 1 A 119 119 CYS CB C 119 29.065 30.596 -1.531 1
1 1458 . 10 1 1 A 119 119 CYS C C 119 174.586 173.070 1.516 1
1 1459 . 10 1 1 A 120 120 ASN N N 120 126.917 125.009 1.908 1
1 1460 . 10 1 1 A 120 120 ASN H H 120 9.858 9.233 0.625 1
1 1461 . 10 1 1 A 120 120 ASN CA C 120 53.735 54.475 -0.740 1
1 1462 . 10 1 1 A 120 120 ASN HA H 120 4.342 4.416 -0.074 1
1 1463 . 10 1 1 A 120 120 ASN CB C 120 37.873 37.437 0.436 1
1 1469 . 10 1 1 A 120 120 ASN C C 120 174.943 175.408 -0.465 1
1 1470 . 10 1 1 A 121 121 GLY N N 121 104.866 103.714 1.152 1
1 1471 . 10 1 1 A 121 121 GLY H H 121 8.776 8.594 0.182 1
1 1472 . 10 1 1 A 121 121 GLY CA C 121 45.586 46.532 -0.946 1
1 1473 . 10 1 1 A 121 121 GLY HA2 H 121 4.041 3.849 0.192 1
1 1474 . 10 1 1 A 121 121 GLY HA3 H 121 3.553 3.865 -0.312 1
1 1475 . 10 1 1 A 121 121 GLY C C 121 173.804 173.699 0.105 1
1 1476 . 10 1 1 A 122 122 GLN N N 122 119.988 118.520 1.468 1
1 1477 . 10 1 1 A 122 122 GLN H H 122 7.677 7.449 0.228 1
1 1478 . 10 1 1 A 122 122 GLN CA C 122 53.624 53.548 0.076 1
1 1479 . 10 1 1 A 122 122 GLN HA H 122 4.395 4.790 -0.395 1
1 1480 . 10 1 1 A 122 122 GLN CB C 122 31.456 32.550 -1.094 1
1 1489 . 10 1 1 A 122 122 GLN C C 122 174.029 174.155 -0.126 1
1 1490 . 10 1 1 A 123 123 THR N N 123 116.337 115.530 0.807 1
1 1491 . 10 1 1 A 123 123 THR H H 123 7.990 8.403 -0.413 1
1 1492 . 10 1 1 A 123 123 THR CA C 123 61.935 61.282 0.653 1
1 1493 . 10 1 1 A 123 123 THR HA H 123 4.620 4.711 -0.091 1
1 1494 . 10 1 1 A 123 123 THR CB C 123 70.005 70.907 -0.902 1
1 1500 . 10 1 1 A 123 123 THR C C 123 172.596 172.663 -0.067 1
1 1501 . 10 1 1 A 124 124 TYR N N 124 128.915 126.148 2.767 1
1 1502 . 10 1 1 A 124 124 TYR H H 124 9.416 8.468 0.948 1
1 1503 . 10 1 1 A 124 124 TYR CA C 124 56.388 56.123 0.265 1
1 1504 . 10 1 1 A 124 124 TYR HA H 124 4.962 5.268 -0.306 1
1 1505 . 10 1 1 A 124 124 TYR CB C 124 40.688 40.363 0.325 1
1 1516 . 10 1 1 A 124 124 TYR C C 124 174.284 174.767 -0.483 1
1 1517 . 10 1 1 A 125 125 TRP N N 125 119.850 123.891 -4.041 1
1 1518 . 10 1 1 A 125 125 TRP H H 125 8.738 9.104 -0.366 1
1 1519 . 10 1 1 A 125 125 TRP CA C 125 56.940 55.678 1.262 1
1 1520 . 10 1 1 A 125 125 TRP HA H 125 5.388 5.422 -0.034 1
1 1521 . 10 1 1 A 125 125 TRP CB C 125 33.031 30.996 2.035 1
1 1536 . 10 1 1 A 125 125 TRP C C 125 176.973 174.791 2.182 1
1 1537 . 10 1 1 A 126 126 ASP N N 126 118.759 126.749 -7.990 1
1 1538 . 10 1 1 A 126 126 ASP H H 126 9.436 8.853 0.583 1
1 1539 . 10 1 1 A 126 126 ASP CA C 126 53.968 52.623 1.345 1
1 1540 . 10 1 1 A 126 126 ASP HA H 126 5.213 5.236 -0.023 1
1 1541 . 10 1 1 A 126 126 ASP CB C 126 42.641 41.912 0.729 1
1 1544 . 10 1 1 A 126 126 ASP C C 126 176.043 174.586 1.457 1
1 1545 . 10 1 1 A 127 127 SER N N 127 119.074 120.183 -1.109 1
1 1546 . 10 1 1 A 127 127 SER H H 127 8.520 8.681 -0.161 1
1 1547 . 10 1 1 A 127 127 SER CA C 127 55.118 56.953 -1.835 1
1 1548 . 10 1 1 A 127 127 SER HA H 127 4.811 4.987 -0.176 1
1 1549 . 10 1 1 A 127 127 SER CB C 127 63.866 63.992 -0.126 1
1 1552 . 10 1 1 A 127 127 SER C C 127 175.840 174.282 1.558 1
1 1553 . 10 1 1 A 128 128 ASN N N 128 124.865 118.729 6.136 1
1 1554 . 10 1 1 A 128 128 ASN H H 128 9.242 8.922 0.320 1
1 1555 . 10 1 1 A 128 128 ASN CA C 128 53.224 53.155 0.069 1
1 1556 . 10 1 1 A 128 128 ASN HA H 128 4.071 2.837 1.234 1
1 1557 . 10 1 1 A 128 128 ASN CB C 128 34.281 36.264 -1.983 1
1 1563 . 10 1 1 A 128 128 ASN C C 128 176.607 174.188 2.419 1
1 1564 . 10 1 1 A 129 129 ARG N N 129 114.718 118.035 -3.317 1
1 1565 . 10 1 1 A 129 129 ARG H H 129 9.475 8.063 1.412 1
1 1566 . 10 1 1 A 129 129 ARG CA C 129 56.798 56.890 -0.092 1
1 1567 . 10 1 1 A 129 129 ARG HA H 129 3.774 3.985 -0.211 1
1 1568 . 10 1 1 A 129 129 ARG CB C 129 27.145 27.948 -0.803 1
1 1579 . 10 1 1 A 129 129 ARG C C 129 176.132 174.813 1.319 1
1 1580 . 10 1 1 A 130 130 GLY N N 130 106.337 107.078 -0.741 1
1 1581 . 10 1 1 A 130 130 GLY H H 130 7.568 7.560 0.008 1
1 1582 . 10 1 1 A 130 130 GLY CA C 130 44.896 46.055 -1.159 1
1 1583 . 10 1 1 A 130 130 GLY HA2 H 130 4.103 4.069 0.034 1
1 1584 . 10 1 1 A 130 130 GLY HA3 H 130 3.425 4.089 -0.664 1
1 1585 . 10 1 1 A 130 130 GLY C C 130 174.521 173.974 0.547 1
1 1586 . 10 1 1 A 131 131 LYS N N 131 119.902 123.953 -4.051 1
1 1587 . 10 1 1 A 131 131 LYS H H 131 7.278 8.256 -0.978 1
1 1588 . 10 1 1 A 131 131 LYS CA C 131 57.336 57.566 -0.230 1
1 1589 . 10 1 1 A 131 131 LYS HA H 131 4.132 4.279 -0.147 1
1 1590 . 10 1 1 A 131 131 LYS CB C 131 33.719 33.302 0.417 1
1 1602 . 10 1 1 A 131 131 LYS C C 131 177.813 176.378 1.435 1
1 1603 . 10 1 1 A 132 132 ASN N N 132 107.489 112.185 -4.696 1
1 1604 . 10 1 1 A 132 132 ASN H H 132 8.268 7.628 0.640 1
1 1605 . 10 1 1 A 132 132 ASN CA C 132 54.717 52.125 2.592 1
1 1606 . 10 1 1 A 132 132 ASN HA H 132 3.691 4.775 -1.084 1
1 1607 . 10 1 1 A 132 132 ASN CB C 132 39.462 40.826 -1.364 1
1 1613 . 10 1 1 A 132 132 ASN C C 132 172.611 172.491 0.120 1
1 1614 . 10 1 1 A 133 133 TYR N N 133 120.541 120.346 0.195 1
1 1615 . 10 1 1 A 133 133 TYR H H 133 8.696 8.370 0.326 1
1 1616 . 10 1 1 A 133 133 TYR CA C 133 58.334 57.390 0.944 1
1 1617 . 10 1 1 A 133 133 TYR HA H 133 3.879 4.232 -0.353 1
1 1618 . 10 1 1 A 133 133 TYR CB C 133 35.955 36.898 -0.943 1
1 1627 . 10 1 1 A 133 133 TYR C C 133 175.026 175.699 -0.673 1
1 1628 . 10 1 1 A 134 134 ARG N N 134 123.205 123.416 -0.211 1
1 1629 . 10 1 1 A 134 134 ARG H H 134 8.584 8.025 0.559 1
1 1630 . 10 1 1 A 134 134 ARG CA C 134 56.025 56.400 -0.375 1
1 1631 . 10 1 1 A 134 134 ARG HA H 134 5.043 4.412 0.631 1
1 1632 . 10 1 1 A 134 134 ARG CB C 134 32.734 30.549 2.185 1
1 1643 . 10 1 1 A 134 134 ARG C C 134 174.511 176.026 -1.515 1
1 1644 . 10 1 1 A 135 135 ILE N N 135 124.430 125.970 -1.540 1
1 1645 . 10 1 1 A 135 135 ILE H H 135 8.429 8.712 -0.283 1
1 1646 . 10 1 1 A 135 135 ILE CA C 135 61.078 60.018 1.060 1
1 1647 . 10 1 1 A 135 135 ILE HA H 135 4.797 4.908 -0.111 1
1 1648 . 10 1 1 A 135 135 ILE CB C 135 39.875 38.815 1.060 1
1 1661 . 10 1 1 A 135 135 ILE C C 135 175.279 175.961 -0.682 1
1 1662 . 10 1 1 A 136 136 ILE N N 136 120.496 123.449 -2.953 1
1 1663 . 10 1 1 A 136 136 ILE H H 136 9.000 8.670 0.330 1
1 1664 . 10 1 1 A 136 136 ILE CA C 136 59.359 59.098 0.261 1
1 1665 . 10 1 1 A 136 136 ILE HA H 136 5.028 5.266 -0.238 1
1 1666 . 10 1 1 A 136 136 ILE CB C 136 42.170 40.783 1.387 1
1 1679 . 10 1 1 A 136 136 ILE C C 136 175.144 175.613 -0.469 1
1 1680 . 10 1 1 A 137 137 ARG N N 137 122.183 123.747 -1.564 1
1 1681 . 10 1 1 A 137 137 ARG H H 137 8.535 8.542 -0.007 1
1 1682 . 10 1 1 A 137 137 ARG CA C 137 56.339 55.498 0.841 1
1 1683 . 10 1 1 A 137 137 ARG HA H 137 4.402 4.057 0.345 1
1 1684 . 10 1 1 A 137 137 ARG CB C 137 30.696 30.926 -0.230 1
1 1695 . 10 1 1 A 137 137 ARG C C 137 176.646 177.598 -0.952 1
1 1696 . 10 1 1 A 138 138 ALA N N 138 126.694 127.542 -0.848 1
1 1697 . 10 1 1 A 138 138 ALA H H 138 8.353 8.370 -0.017 1
1 1698 . 10 1 1 A 138 138 ALA CA C 138 52.808 54.612 -1.804 1
1 1699 . 10 1 1 A 138 138 ALA HA H 138 4.134 3.983 0.151 1
1 1700 . 10 1 1 A 138 138 ALA CB C 138 19.536 18.197 1.339 1
1 1704 . 10 1 1 A 138 138 ALA C C 138 177.637 179.470 -1.833 1
1 1705 . 10 1 1 A 139 139 GLU N N 139 119.890 116.412 3.478 1
1 1706 . 10 1 1 A 139 139 GLU H H 139 8.615 8.290 0.325 1
1 1707 . 10 1 1 A 139 139 GLU CA C 139 56.586 58.796 -2.210 1
1 1708 . 10 1 1 A 139 139 GLU HA H 139 4.268 4.075 0.193 1
1 1709 . 10 1 1 A 139 139 GLU CB C 139 30.137 27.964 2.173 1
1 1715 . 10 1 1 A 139 139 GLU C C 139 176.488 178.586 -2.098 1
1 1716 . 10 1 1 A 140 140 LEU N N 140 123.350 119.005 4.345 1
1 1717 . 10 1 1 A 140 140 LEU H H 140 8.224 7.634 0.590 1
1 1718 . 10 1 1 A 140 140 LEU CA C 140 55.185 57.497 -2.312 1
1 1719 . 10 1 1 A 140 140 LEU HA H 140 4.339 4.280 0.059 1
1 1720 . 10 1 1 A 140 140 LEU CB C 140 42.294 41.614 0.680 1
1 1733 . 10 1 1 A 140 140 LEU C C 140 177.456 177.745 -0.289 1
1 1734 . 10 1 1 A 141 141 LYS N N 141 122.155 120.270 1.885 1
1 1735 . 10 1 1 A 141 141 LYS H H 141 8.239 7.127 1.112 1
1 1736 . 10 1 1 A 141 141 LYS CA C 141 56.480 57.016 -0.536 1
1 1737 . 10 1 1 A 141 141 LYS HA H 141 4.309 4.169 0.140 1
1 1738 . 10 1 1 A 141 141 LYS CB C 141 32.976 33.083 -0.107 1
1 1750 . 10 1 1 A 141 141 LYS C C 141 176.734 175.704 1.030 1
1 1751 . 10 1 1 A 142 142 SER N N 142 116.816 123.202 -6.386 1
1 1752 . 10 1 1 A 142 142 SER H H 142 8.369 8.751 -0.382 1
1 1753 . 10 1 1 A 142 142 SER CA C 142 58.425 57.234 1.191 1
1 1754 . 10 1 1 A 142 142 SER HA H 142 4.529 4.928 -0.399 1
1 1755 . 10 1 1 A 142 142 SER CB C 142 63.836 65.406 -1.570 1
1 1758 . 10 1 1 A 142 142 SER C C 142 175.185 172.975 2.210 1
1 1759 . 10 1 1 A 143 143 THR N N 143 115.566 121.531 -5.965 1
1 1760 . 10 1 1 A 143 143 THR H H 143 8.235 8.801 -0.566 1
1 1761 . 10 1 1 A 143 143 THR CA C 143 61.999 62.877 -0.878 1
1 1762 . 10 1 1 A 143 143 THR HA H 143 4.389 4.486 -0.097 1
1 1763 . 10 1 1 A 143 143 THR CB C 143 69.634 69.072 0.562 1
1 1769 . 10 1 1 A 143 143 THR C C 143 174.937 173.468 1.469 1
1 1770 . 10 1 1 A 144 144 GLN N N 144 122.469 128.759 -6.290 1
1 1771 . 10 1 1 A 144 144 GLN H H 144 8.345 8.635 -0.290 1
1 1772 . 10 1 1 A 144 144 GLN CA C 144 56.480 54.545 1.935 1
1 1773 . 10 1 1 A 144 144 GLN HA H 144 4.307 4.771 -0.464 1
1 1774 . 10 1 1 A 144 144 GLN CB C 144 29.307 32.478 -3.171 1
1 1783 . 10 1 1 A 144 144 GLN C C 144 176.536 174.511 2.025 1
1 1784 . 10 1 1 A 145 145 GLY N N 145 110.021 112.928 -2.907 1
1 1785 . 10 1 1 A 145 145 GLY H H 145 8.461 8.880 -0.419 1
1 1786 . 10 1 1 A 145 145 GLY CA C 145 45.355 46.359 -1.004 1
1 1787 . 10 1 1 A 145 145 GLY HA2 H 145 3.967 3.989 -0.022 1
1 1788 . 10 1 1 A 145 145 GLY HA3 H 145 3.967 3.990 -0.023 1
1 1789 . 10 1 1 A 145 145 GLY C C 145 174.123 173.678 0.445 1
1 1790 . 10 1 1 A 146 146 MET N N 146 119.836 121.260 -1.424 1
1 1791 . 10 1 1 A 146 146 MET H H 146 8.197 7.650 0.547 1
1 1792 . 10 1 1 A 146 146 MET CA C 146 55.594 56.252 -0.658 1
1 1793 . 10 1 1 A 146 146 MET HA H 146 4.538 4.311 0.227 1
1 1794 . 10 1 1 A 146 146 MET CB C 146 33.090 33.176 -0.086 1
1 1804 . 10 1 1 A 146 146 MET C C 146 176.454 175.753 0.701 1
1 1805 . 10 1 1 A 147 147 THR N N 147 116.248 114.634 1.614 1
1 1806 . 10 1 1 A 147 147 THR H H 147 8.239 8.425 -0.186 1
1 1807 . 10 1 1 A 147 147 THR CA C 147 61.959 59.822 2.137 1
1 1808 . 10 1 1 A 147 147 THR HA H 147 4.318 5.177 -0.859 1
1 1809 . 10 1 1 A 147 147 THR CB C 147 69.875 71.693 -1.818 1
1 1815 . 10 1 1 A 147 147 THR C C 147 174.141 173.612 0.529 1
1 1816 . 10 1 1 A 148 148 LYS N N 148 125.399 121.330 4.069 1
1 1817 . 10 1 1 A 148 148 LYS H H 148 8.387 8.370 0.017 1
1 1818 . 10 1 1 A 148 148 LYS CA C 148 54.186 53.467 0.719 1
1 1819 . 10 1 1 A 148 148 LYS HA H 148 4.617 4.590 0.027 1
1 1820 . 10 1 1 A 148 148 LYS CB C 148 32.651 35.738 -3.087 1
1 1832 . 10 1 1 A 148 148 LYS C C 148 174.388 174.246 0.142 1
1 1833 . 10 1 1 A 149 149 PRO CA C 149 63.178 62.626 0.552 1
1 1834 . 10 1 1 A 149 149 PRO HA H 149 4.406 4.461 -0.055 1
1 1835 . 10 1 1 A 149 149 PRO CB C 149 32.164 32.013 0.151 1
1 1844 . 10 1 1 A 150 150 HIS CA C 150 56.264 56.484 -0.220 1
1 1845 . 10 1 1 A 150 150 HIS HA H 150 4.626 4.668 -0.042 1
1 1846 . 10 1 1 A 150 150 HIS CB C 150 30.574 30.183 0.391 1
1 1852 . 10 1 1 A 151 151 SER CA C 151 58.018 57.460 0.558 1
1 1853 . 10 1 1 A 151 151 SER HA H 151 4.475 5.040 -0.565 1
1 1854 . 10 1 1 A 151 151 SER CB C 151 64.139 65.352 -1.213 1
1 1856 . 10 1 1 A 151 151 SER C C 151 174.253 174.327 -0.074 1
1 1857 . 10 1 1 A 152 152 GLY N N 152 110.964 109.527 1.437 1
1 1858 . 10 1 1 A 152 152 GLY H H 152 8.276 7.912 0.364 1
1 1859 . 10 1 1 A 152 152 GLY CA C 152 44.637 45.248 -0.611 1
1 1860 . 10 1 1 A 152 152 GLY HA2 H 152 4.120 4.214 -0.094 1
1 1861 . 10 1 1 A 152 152 GLY HA3 H 152 4.120 4.214 -0.094 1
1 1862 . 10 1 1 A 152 152 GLY C C 152 171.668 170.927 0.741 1
1 1863 . 10 1 1 A 153 153 PRO CA C 153 63.147 62.609 0.538 1
1 1864 . 10 1 1 A 153 153 PRO HA H 153 4.425 4.602 -0.177 1
1 1865 . 10 1 1 A 153 153 PRO CB C 153 32.149 33.499 -1.350 1
1 1874 . 10 1 1 A 153 153 PRO C C 153 176.656 175.693 0.963 1
1 1875 . 10 1 1 A 154 154 ASP N N 154 120.420 116.952 3.468 1
1 1876 . 10 1 1 A 154 154 ASP H H 154 8.463 8.359 0.104 1
1 1877 . 10 1 1 A 154 154 ASP CA C 154 54.429 54.345 0.084 1
1 1878 . 10 1 1 A 154 154 ASP HA H 154 4.575 4.850 -0.275 1
1 1879 . 10 1 1 A 154 154 ASP CB C 154 40.979 42.824 -1.845 1
1 1882 . 10 1 1 A 154 154 ASP C C 154 176.163 175.625 0.538 1
1 1883 . 10 1 1 A 155 155 LEU N N 155 123.563 119.341 4.222 1
1 1884 . 10 1 1 A 155 155 LEU H H 155 8.266 8.076 0.190 1
1 1885 . 10 1 1 A 155 155 LEU CA C 155 55.022 54.611 0.411 1
1 1886 . 10 1 1 A 155 155 LEU HA H 155 4.358 4.454 -0.096 1
1 1887 . 10 1 1 A 155 155 LEU CB C 155 42.157 43.432 -1.275 1
1 1900 . 10 1 1 A 155 155 LEU C C 155 176.990 177.322 -0.332 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.655 59.346 -0.691 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.501 4.425 0.076 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.644 63.140 0.504 1
1 6 . 11 1 1 A 6 6 SER C C 6 175.063 174.277 0.786 1
1 7 . 11 1 1 A 7 7 GLY N N 7 111.113 109.984 1.129 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.473 8.532 -0.059 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.373 44.012 1.361 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 3.967 4.103 -0.136 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 3.967 4.104 -0.137 1
1 12 . 11 1 1 A 7 7 GLY C C 7 173.934 172.376 1.558 1
1 13 . 11 1 1 A 8 8 ALA N N 8 123.788 120.501 3.287 1
1 14 . 11 1 1 A 8 8 ALA H H 8 8.197 8.195 0.002 1
1 15 . 11 1 1 A 8 8 ALA CA C 8 52.548 51.610 0.938 1
1 16 . 11 1 1 A 8 8 ALA HA H 8 4.342 4.990 -0.648 1
1 17 . 11 1 1 A 8 8 ALA CB C 8 19.403 22.762 -3.359 1
1 21 . 11 1 1 A 8 8 ALA C C 8 177.902 176.052 1.850 1
1 22 . 11 1 1 A 9 9 GLU N N 9 120.004 123.662 -3.658 1
1 23 . 11 1 1 A 9 9 GLU H H 9 8.524 8.701 -0.177 1
1 24 . 11 1 1 A 9 9 GLU CA C 9 56.763 56.117 0.646 1
1 25 . 11 1 1 A 9 9 GLU HA H 9 4.308 4.698 -0.390 1
1 26 . 11 1 1 A 9 9 GLU CB C 9 30.161 30.714 -0.553 1
1 32 . 11 1 1 A 9 9 GLU C C 9 176.646 176.111 0.535 1
1 33 . 11 1 1 A 10 10 SER N N 10 116.268 120.006 -3.738 1
1 34 . 11 1 1 A 10 10 SER H H 10 8.305 8.775 -0.470 1
1 35 . 11 1 1 A 10 10 SER CA C 10 58.426 57.351 1.075 1
1 36 . 11 1 1 A 10 10 SER HA H 10 4.429 4.948 -0.519 1
1 37 . 11 1 1 A 10 10 SER CB C 10 63.933 67.439 -3.506 1
1 40 . 11 1 1 A 10 10 SER C C 10 174.267 172.766 1.501 1
1 41 . 11 1 1 A 11 11 GLU N N 11 122.435 123.355 -0.920 1
1 42 . 11 1 1 A 11 11 GLU H H 11 8.368 8.567 -0.199 1
1 43 . 11 1 1 A 11 11 GLU CA C 11 56.233 55.092 1.141 1
1 44 . 11 1 1 A 11 11 GLU HA H 11 4.367 4.842 -0.475 1
1 45 . 11 1 1 A 11 11 GLU CB C 11 30.692 32.266 -1.574 1
1 51 . 11 1 1 A 11 11 GLU C C 11 175.800 175.350 0.450 1
1 52 . 11 1 1 A 12 12 SER N N 12 116.596 116.895 -0.299 1
1 53 . 11 1 1 A 12 12 SER H H 12 8.299 8.592 -0.293 1
1 54 . 11 1 1 A 12 12 SER CA C 12 58.355 56.992 1.363 1
1 55 . 11 1 1 A 12 12 SER HA H 12 4.457 5.489 -1.032 1
1 56 . 11 1 1 A 12 12 SER CB C 12 64.573 66.739 -2.166 1
1 59 . 11 1 1 A 12 12 SER C C 12 173.309 173.168 0.141 1
1 60 . 11 1 1 A 13 13 PHE N N 13 121.293 120.294 0.999 1
1 61 . 11 1 1 A 13 13 PHE H H 13 8.346 8.908 -0.562 1
1 62 . 11 1 1 A 13 13 PHE CA C 13 56.851 56.716 0.135 1
1 63 . 11 1 1 A 13 13 PHE HA H 13 5.384 5.304 0.080 1
1 64 . 11 1 1 A 13 13 PHE CB C 13 42.542 42.883 -0.341 1
1 77 . 11 1 1 A 13 13 PHE C C 13 174.500 175.038 -0.538 1
1 78 . 11 1 1 A 14 14 VAL N N 14 116.020 116.359 -0.339 1
1 79 . 11 1 1 A 14 14 VAL H H 14 9.313 9.165 0.148 1
1 80 . 11 1 1 A 14 14 VAL CA C 14 60.141 59.389 0.752 1
1 81 . 11 1 1 A 14 14 VAL HA H 14 4.455 4.903 -0.448 1
1 82 . 11 1 1 A 14 14 VAL CB C 14 36.318 36.279 0.039 1
1 92 . 11 1 1 A 14 14 VAL C C 14 174.668 174.629 0.039 1
1 93 . 11 1 1 A 15 15 LEU N N 15 121.725 121.530 0.195 1
1 94 . 11 1 1 A 15 15 LEU H H 15 8.476 8.559 -0.083 1
1 95 . 11 1 1 A 15 15 LEU CA C 15 54.800 52.986 1.814 1
1 96 . 11 1 1 A 15 15 LEU HA H 15 4.403 4.920 -0.517 1
1 97 . 11 1 1 A 15 15 LEU CB C 15 39.816 43.562 -3.746 1
1 110 . 11 1 1 A 15 15 LEU C C 15 177.001 176.446 0.555 1
1 111 . 11 1 1 A 16 16 ASP N N 16 126.576 124.630 1.946 1
1 112 . 11 1 1 A 16 16 ASP H H 16 8.766 8.681 0.085 1
1 113 . 11 1 1 A 16 16 ASP CA C 16 52.828 53.262 -0.434 1
1 114 . 11 1 1 A 16 16 ASP HA H 16 5.081 4.853 0.228 1
1 115 . 11 1 1 A 16 16 ASP CB C 16 42.268 41.156 1.112 1
1 118 . 11 1 1 A 16 16 ASP C C 16 174.640 175.594 -0.954 1
1 119 . 11 1 1 A 17 17 PHE N N 17 112.958 117.565 -4.607 1
1 120 . 11 1 1 A 17 17 PHE H H 17 6.915 7.091 -0.176 1
1 121 . 11 1 1 A 17 17 PHE CA C 17 55.489 56.172 -0.683 1
1 122 . 11 1 1 A 17 17 PHE HA H 17 4.938 5.164 -0.226 1
1 123 . 11 1 1 A 17 17 PHE CB C 17 39.154 41.178 -2.024 1
1 136 . 11 1 1 A 17 17 PHE C C 17 173.746 172.825 0.921 1
1 137 . 11 1 1 A 18 18 SER N N 18 114.977 116.809 -1.832 1
1 138 . 11 1 1 A 18 18 SER H H 18 8.569 8.979 -0.410 1
1 139 . 11 1 1 A 18 18 SER CA C 18 57.046 58.255 -1.209 1
1 140 . 11 1 1 A 18 18 SER HA H 18 4.670 4.707 -0.037 1
1 141 . 11 1 1 A 18 18 SER CB C 18 63.974 63.984 -0.010 1
1 144 . 11 1 1 A 18 18 SER C C 18 175.437 174.998 0.439 1
1 145 . 11 1 1 A 19 19 GLN N N 19 123.586 123.573 0.013 1
1 146 . 11 1 1 A 19 19 GLN H H 19 9.033 8.839 0.194 1
1 147 . 11 1 1 A 19 19 GLN CA C 19 54.023 54.633 -0.610 1
1 148 . 11 1 1 A 19 19 GLN HA H 19 4.558 4.499 0.059 1
1 149 . 11 1 1 A 19 19 GLN CB C 19 27.994 28.583 -0.589 1
1 158 . 11 1 1 A 19 19 GLN C C 19 177.642 176.308 1.334 1
1 159 . 11 1 1 A 20 20 PRO CA C 20 65.836 65.072 0.764 1
1 160 . 11 1 1 A 20 20 PRO HA H 20 4.370 4.495 -0.125 1
1 161 . 11 1 1 A 20 20 PRO CB C 20 32.556 32.336 0.220 1
1 170 . 11 1 1 A 20 20 PRO C C 20 178.374 177.791 0.583 1
1 171 . 11 1 1 A 21 21 SER N N 21 104.386 112.004 -7.618 1
1 172 . 11 1 1 A 21 21 SER H H 21 7.216 7.957 -0.741 1
1 173 . 11 1 1 A 21 21 SER CA C 21 58.886 60.838 -1.952 1
1 174 . 11 1 1 A 21 21 SER HA H 21 3.271 3.886 -0.615 1
1 175 . 11 1 1 A 21 21 SER CB C 21 62.401 63.029 -0.628 1
1 178 . 11 1 1 A 21 21 SER C C 21 174.423 176.984 -2.561 1
1 179 . 11 1 1 A 22 22 ALA N N 22 123.008 122.947 0.061 1
1 180 . 11 1 1 A 22 22 ALA H H 22 7.700 7.851 -0.151 1
1 181 . 11 1 1 A 22 22 ALA CA C 22 53.968 55.513 -1.545 1
1 182 . 11 1 1 A 22 22 ALA HA H 22 4.198 4.082 0.116 1
1 183 . 11 1 1 A 22 22 ALA CB C 22 18.504 19.076 -0.572 1
1 187 . 11 1 1 A 22 22 ALA C C 22 177.624 177.390 0.234 1
1 188 . 11 1 1 A 23 23 ASP N N 23 117.789 117.925 -0.136 1
1 189 . 11 1 1 A 23 23 ASP H H 23 7.080 7.817 -0.737 1
1 190 . 11 1 1 A 23 23 ASP CA C 23 52.151 53.349 -1.198 1
1 191 . 11 1 1 A 23 23 ASP HA H 23 4.893 4.891 0.002 1
1 192 . 11 1 1 A 23 23 ASP CB C 23 40.592 41.604 -1.012 1
1 195 . 11 1 1 A 23 23 ASP C C 23 175.032 175.846 -0.814 1
1 196 . 11 1 1 A 24 24 TYR N N 24 123.295 126.830 -3.535 1
1 197 . 11 1 1 A 24 24 TYR H H 24 8.217 8.971 -0.754 1
1 198 . 11 1 1 A 24 24 TYR CA C 24 61.711 61.772 -0.061 1
1 199 . 11 1 1 A 24 24 TYR HA H 24 4.196 4.037 0.159 1
1 200 . 11 1 1 A 24 24 TYR CB C 24 38.456 39.172 -0.716 1
1 211 . 11 1 1 A 24 24 TYR C C 24 177.434 177.371 0.063 1
1 212 . 11 1 1 A 25 25 LEU N N 25 119.429 121.042 -1.613 1
1 213 . 11 1 1 A 25 25 LEU H H 25 8.074 8.541 -0.467 1
1 214 . 11 1 1 A 25 25 LEU CA C 25 57.691 58.432 -0.741 1
1 215 . 11 1 1 A 25 25 LEU HA H 25 3.967 3.838 0.129 1
1 216 . 11 1 1 A 25 25 LEU CB C 25 41.388 41.633 -0.245 1
1 229 . 11 1 1 A 25 25 LEU C C 25 178.768 178.459 0.309 1
1 230 . 11 1 1 A 26 26 ASP N N 26 119.881 118.778 1.103 1
1 231 . 11 1 1 A 26 26 ASP H H 26 7.561 8.298 -0.737 1
1 232 . 11 1 1 A 26 26 ASP CA C 26 57.625 56.679 0.946 1
1 233 . 11 1 1 A 26 26 ASP HA H 26 4.367 4.329 0.038 1
1 234 . 11 1 1 A 26 26 ASP CB C 26 42.955 41.156 1.799 1
1 237 . 11 1 1 A 26 26 ASP C C 26 177.657 178.511 -0.854 1
1 238 . 11 1 1 A 27 27 PHE N N 27 118.946 120.390 -1.444 1
1 239 . 11 1 1 A 27 27 PHE H H 27 8.750 8.026 0.724 1
1 240 . 11 1 1 A 27 27 PHE CA C 27 61.323 61.074 0.249 1
1 241 . 11 1 1 A 27 27 PHE HA H 27 4.088 4.142 -0.054 1
1 242 . 11 1 1 A 27 27 PHE CB C 27 39.606 39.540 0.066 1
1 255 . 11 1 1 A 27 27 PHE C C 27 176.662 177.177 -0.515 1
1 256 . 11 1 1 A 28 28 ARG N N 28 116.744 118.390 -1.646 1
1 257 . 11 1 1 A 28 28 ARG H H 28 8.079 8.606 -0.527 1
1 258 . 11 1 1 A 28 28 ARG CA C 28 59.051 58.646 0.405 1
1 259 . 11 1 1 A 28 28 ARG HA H 28 3.590 3.907 -0.317 1
1 260 . 11 1 1 A 28 28 ARG CB C 28 29.516 29.545 -0.029 1
1 269 . 11 1 1 A 28 28 ARG C C 28 179.306 178.047 1.259 1
1 270 . 11 1 1 A 29 29 ASN N N 29 119.381 117.766 1.615 1
1 271 . 11 1 1 A 29 29 ASN H H 29 8.106 8.213 -0.107 1
1 272 . 11 1 1 A 29 29 ASN CA C 29 55.861 55.800 0.061 1
1 273 . 11 1 1 A 29 29 ASN HA H 29 4.361 4.426 -0.065 1
1 274 . 11 1 1 A 29 29 ASN CB C 29 37.622 37.804 -0.182 1
1 280 . 11 1 1 A 29 29 ASN C C 29 178.555 178.359 0.196 1
1 281 . 11 1 1 A 30 30 ARG N N 30 123.244 119.748 3.496 1
1 282 . 11 1 1 A 30 30 ARG H H 30 8.640 7.824 0.816 1
1 283 . 11 1 1 A 30 30 ARG CA C 30 59.708 58.729 0.979 1
1 284 . 11 1 1 A 30 30 ARG HA H 30 3.912 3.951 -0.039 1
1 285 . 11 1 1 A 30 30 ARG CB C 30 30.910 29.954 0.956 1
1 296 . 11 1 1 A 30 30 ARG C C 30 178.651 179.218 -0.567 1
1 297 . 11 1 1 A 31 31 LEU N N 31 119.911 121.114 -1.203 1
1 298 . 11 1 1 A 31 31 LEU H H 31 7.988 7.544 0.444 1
1 299 . 11 1 1 A 31 31 LEU CA C 31 58.049 56.767 1.282 1
1 300 . 11 1 1 A 31 31 LEU HA H 31 3.409 3.868 -0.459 1
1 301 . 11 1 1 A 31 31 LEU CB C 31 41.342 41.145 0.197 1
1 314 . 11 1 1 A 31 31 LEU C C 31 178.698 177.917 0.781 1
1 315 . 11 1 1 A 32 32 GLN N N 32 114.904 117.983 -3.079 1
1 316 . 11 1 1 A 32 32 GLN H H 32 7.416 7.460 -0.044 1
1 317 . 11 1 1 A 32 32 GLN CA C 32 58.019 57.401 0.618 1
1 318 . 11 1 1 A 32 32 GLN HA H 32 3.891 4.264 -0.373 1
1 319 . 11 1 1 A 32 32 GLN CB C 32 28.679 29.046 -0.367 1
1 328 . 11 1 1 A 32 32 GLN C C 32 176.457 177.332 -0.875 1
1 329 . 11 1 1 A 33 33 ALA N N 33 119.088 121.745 -2.657 1
1 330 . 11 1 1 A 33 33 ALA H H 33 7.791 7.335 0.456 1
1 331 . 11 1 1 A 33 33 ALA CA C 33 54.057 53.539 0.518 1
1 332 . 11 1 1 A 33 33 ALA HA H 33 4.099 4.108 -0.009 1
1 333 . 11 1 1 A 33 33 ALA CB C 33 19.921 18.913 1.008 1
1 337 . 11 1 1 A 33 33 ALA C C 33 178.303 178.173 0.130 1
1 338 . 11 1 1 A 34 34 ASP N N 34 115.377 116.716 -1.339 1
1 339 . 11 1 1 A 34 34 ASP H H 34 8.662 7.995 0.667 1
1 340 . 11 1 1 A 34 34 ASP CA C 34 55.153 54.057 1.096 1
1 341 . 11 1 1 A 34 34 ASP HA H 34 4.698 4.388 0.310 1
1 342 . 11 1 1 A 34 34 ASP CB C 34 41.976 41.455 0.521 1
1 345 . 11 1 1 A 34 34 ASP C C 34 177.531 175.278 2.253 1
1 346 . 11 1 1 A 35 35 HIS N N 35 108.110 116.317 -8.207 1
1 347 . 11 1 1 A 35 35 HIS H H 35 7.018 7.662 -0.644 1
1 348 . 11 1 1 A 35 35 HIS CA C 35 58.336 56.971 1.365 1
1 349 . 11 1 1 A 35 35 HIS HA H 35 4.543 4.397 0.146 1
1 350 . 11 1 1 A 35 35 HIS CB C 35 26.472 26.516 -0.044 1
1 357 . 11 1 1 A 35 35 HIS C C 35 171.507 173.310 -1.803 1
1 358 . 11 1 1 A 36 36 VAL N N 36 115.529 116.690 -1.161 1
1 359 . 11 1 1 A 36 36 VAL H H 36 7.065 7.355 -0.290 1
1 360 . 11 1 1 A 36 36 VAL CA C 36 58.549 60.615 -2.066 1
1 361 . 11 1 1 A 36 36 VAL HA H 36 4.867 4.112 0.755 1
1 362 . 11 1 1 A 36 36 VAL CB C 36 33.135 34.380 -1.245 1
1 372 . 11 1 1 A 36 36 VAL C C 36 171.953 173.744 -1.791 1
1 373 . 11 1 1 A 37 37 CYS N N 37 124.685 124.990 -0.305 1
1 374 . 11 1 1 A 37 37 CYS H H 37 8.694 8.289 0.405 1
1 375 . 11 1 1 A 37 37 CYS CA C 37 59.979 58.323 1.656 1
1 376 . 11 1 1 A 37 37 CYS HA H 37 4.594 4.921 -0.327 1
1 377 . 11 1 1 A 37 37 CYS CB C 37 29.016 31.605 -2.589 1
1 380 . 11 1 1 A 37 37 CYS C C 37 173.445 172.992 0.453 1
1 381 . 11 1 1 A 38 38 LEU N N 38 132.291 126.994 5.297 1
1 382 . 11 1 1 A 38 38 LEU H H 38 9.625 8.889 0.736 1
1 383 . 11 1 1 A 38 38 LEU CA C 38 57.958 55.489 2.469 1
1 384 . 11 1 1 A 38 38 LEU HA H 38 4.167 4.655 -0.488 1
1 385 . 11 1 1 A 38 38 LEU CB C 38 42.189 42.930 -0.741 1
1 398 . 11 1 1 A 38 38 LEU C C 38 173.188 177.107 -3.919 1
1 399 . 11 1 1 A 39 39 GLU N N 39 127.988 127.718 0.270 1
1 400 . 11 1 1 A 39 39 GLU H H 39 9.267 8.949 0.318 1
1 401 . 11 1 1 A 39 39 GLU CA C 39 57.435 58.355 -0.920 1
1 402 . 11 1 1 A 39 39 GLU HA H 39 4.521 4.193 0.328 1
1 403 . 11 1 1 A 39 39 GLU CB C 39 31.891 30.179 1.712 1
1 409 . 11 1 1 A 39 39 GLU C C 39 175.300 176.385 -1.085 1
1 410 . 11 1 1 A 40 40 ASN N N 40 115.109 113.226 1.883 1
1 411 . 11 1 1 A 40 40 ASN H H 40 7.757 7.245 0.512 1
1 412 . 11 1 1 A 40 40 ASN CA C 40 52.151 51.474 0.677 1
1 413 . 11 1 1 A 40 40 ASN HA H 40 5.353 5.317 0.036 1
1 414 . 11 1 1 A 40 40 ASN CB C 40 43.324 42.148 1.176 1
1 420 . 11 1 1 A 40 40 ASN C C 40 173.918 173.174 0.744 1
1 421 . 11 1 1 A 41 41 CYS N N 41 120.861 120.671 0.190 1
1 422 . 11 1 1 A 41 41 CYS H H 41 9.646 9.015 0.631 1
1 423 . 11 1 1 A 41 41 CYS CA C 41 58.934 57.321 1.613 1
1 424 . 11 1 1 A 41 41 CYS HA H 41 5.167 5.008 0.159 1
1 425 . 11 1 1 A 41 41 CYS CB C 41 30.293 28.973 1.320 1
1 428 . 11 1 1 A 41 41 CYS C C 41 171.600 173.932 -2.332 1
1 429 . 11 1 1 A 42 42 VAL N N 42 126.721 123.959 2.762 1
1 430 . 11 1 1 A 42 42 VAL H H 42 9.532 8.684 0.848 1
1 431 . 11 1 1 A 42 42 VAL CA C 42 60.463 60.174 0.289 1
1 432 . 11 1 1 A 42 42 VAL HA H 42 4.454 4.672 -0.218 1
1 433 . 11 1 1 A 42 42 VAL CB C 42 35.496 33.390 2.106 1
1 443 . 11 1 1 A 42 42 VAL C C 42 173.645 174.278 -0.633 1
1 444 . 11 1 1 A 43 43 LEU N N 43 127.183 124.019 3.164 1
1 445 . 11 1 1 A 43 43 LEU H H 43 8.597 8.754 -0.157 1
1 446 . 11 1 1 A 43 43 LEU CA C 43 54.209 53.534 0.675 1
1 447 . 11 1 1 A 43 43 LEU HA H 43 5.050 5.298 -0.248 1
1 448 . 11 1 1 A 43 43 LEU CB C 43 43.450 46.166 -2.716 1
1 461 . 11 1 1 A 43 43 LEU C C 43 176.151 174.817 1.334 1
1 462 . 11 1 1 A 44 44 LYS N N 44 127.086 124.841 2.245 1
1 463 . 11 1 1 A 44 44 LYS H H 44 8.726 9.118 -0.392 1
1 464 . 11 1 1 A 44 44 LYS CA C 44 55.033 54.215 0.818 1
1 465 . 11 1 1 A 44 44 LYS HA H 44 4.552 4.874 -0.322 1
1 466 . 11 1 1 A 44 44 LYS CB C 44 34.147 36.069 -1.922 1
1 478 . 11 1 1 A 44 44 LYS C C 44 175.176 176.130 -0.954 1
1 479 . 11 1 1 A 45 45 ASP N N 45 123.045 120.402 2.643 1
1 480 . 11 1 1 A 45 45 ASP H H 45 8.876 8.688 0.188 1
1 481 . 11 1 1 A 45 45 ASP CA C 45 56.515 55.045 1.470 1
1 482 . 11 1 1 A 45 45 ASP HA H 45 4.321 4.370 -0.049 1
1 483 . 11 1 1 A 45 45 ASP CB C 45 39.782 40.556 -0.774 1
1 486 . 11 1 1 A 45 45 ASP C C 45 175.339 176.508 -1.169 1
1 487 . 11 1 1 A 46 46 LYS N N 46 118.201 120.359 -2.158 1
1 488 . 11 1 1 A 46 46 LYS H H 46 8.620 9.040 -0.420 1
1 489 . 11 1 1 A 46 46 LYS CA C 46 56.158 57.239 -1.081 1
1 490 . 11 1 1 A 46 46 LYS HA H 46 4.079 3.842 0.237 1
1 491 . 11 1 1 A 46 46 LYS CB C 46 30.929 30.067 0.862 1
1 503 . 11 1 1 A 46 46 LYS C C 46 174.615 175.160 -0.545 1
1 504 . 11 1 1 A 47 47 ALA N N 47 121.283 117.824 3.459 1
1 505 . 11 1 1 A 47 47 ALA H H 47 7.611 7.135 0.476 1
1 506 . 11 1 1 A 47 47 ALA CA C 47 51.809 51.527 0.282 1
1 507 . 11 1 1 A 47 47 ALA HA H 47 5.105 4.789 0.316 1
1 508 . 11 1 1 A 47 47 ALA CB C 47 22.739 23.028 -0.289 1
1 512 . 11 1 1 A 47 47 ALA C C 47 175.508 175.288 0.220 1
1 513 . 11 1 1 A 48 48 ILE N N 48 114.639 115.028 -0.389 1
1 514 . 11 1 1 A 48 48 ILE H H 48 8.819 8.831 -0.012 1
1 515 . 11 1 1 A 48 48 ILE CA C 48 59.017 59.068 -0.051 1
1 516 . 11 1 1 A 48 48 ILE HA H 48 5.230 5.117 0.113 1
1 517 . 11 1 1 A 48 48 ILE CB C 48 41.811 42.105 -0.294 1
1 530 . 11 1 1 A 48 48 ILE C C 48 172.954 174.642 -1.688 1
1 531 . 11 1 1 A 49 49 ALA N N 49 126.155 122.845 3.310 1
1 532 . 11 1 1 A 49 49 ALA H H 49 8.652 8.430 0.222 1
1 533 . 11 1 1 A 49 49 ALA CA C 49 50.095 51.395 -1.300 1
1 534 . 11 1 1 A 49 49 ALA HA H 49 4.769 5.038 -0.269 1
1 535 . 11 1 1 A 49 49 ALA CB C 49 22.651 22.119 0.532 1
1 539 . 11 1 1 A 49 49 ALA C C 49 175.812 175.723 0.089 1
1 540 . 11 1 1 A 50 50 GLY N N 50 105.980 107.577 -1.597 1
1 541 . 11 1 1 A 50 50 GLY H H 50 6.754 6.827 -0.073 1
1 542 . 11 1 1 A 50 50 GLY CA C 50 46.134 45.019 1.115 1
1 543 . 11 1 1 A 50 50 GLY HA2 H 50 3.803 3.912 -0.109 1
1 544 . 11 1 1 A 50 50 GLY HA3 H 50 4.077 4.046 0.031 1
1 545 . 11 1 1 A 50 50 GLY C C 50 172.510 172.163 0.347 1
1 546 . 11 1 1 A 51 51 THR N N 51 108.648 111.632 -2.984 1
1 547 . 11 1 1 A 51 51 THR H H 51 8.556 8.669 -0.113 1
1 548 . 11 1 1 A 51 51 THR CA C 51 59.116 60.234 -1.118 1
1 549 . 11 1 1 A 51 51 THR HA H 51 5.588 5.745 -0.157 1
1 550 . 11 1 1 A 51 51 THR CB C 51 72.737 70.848 1.889 1
1 556 . 11 1 1 A 51 51 THR C C 51 174.087 173.562 0.525 1
1 557 . 11 1 1 A 52 52 VAL N N 52 122.025 126.679 -4.654 1
1 558 . 11 1 1 A 52 52 VAL H H 52 9.746 9.747 -0.001 1
1 559 . 11 1 1 A 52 52 VAL CA C 52 61.371 61.360 0.011 1
1 560 . 11 1 1 A 52 52 VAL HA H 52 4.463 4.764 -0.301 1
1 561 . 11 1 1 A 52 52 VAL CB C 52 36.986 33.401 3.585 1
1 571 . 11 1 1 A 52 52 VAL C C 52 174.687 174.651 0.036 1
1 572 . 11 1 1 A 53 53 LYS N N 53 125.115 128.241 -3.126 1
1 573 . 11 1 1 A 53 53 LYS H H 53 8.567 8.897 -0.330 1
1 574 . 11 1 1 A 53 53 LYS CA C 53 53.668 55.144 -1.476 1
1 575 . 11 1 1 A 53 53 LYS HA H 53 5.599 5.245 0.354 1
1 576 . 11 1 1 A 53 53 LYS CB C 53 37.855 34.646 3.209 1
1 588 . 11 1 1 A 53 53 LYS C C 53 174.697 175.668 -0.971 1
1 589 . 11 1 1 A 54 54 VAL N N 54 110.661 118.944 -8.283 1
1 590 . 11 1 1 A 54 54 VAL H H 54 8.498 8.933 -0.435 1
1 591 . 11 1 1 A 54 54 VAL CA C 54 57.682 58.698 -1.016 1
1 592 . 11 1 1 A 54 54 VAL HA H 54 4.825 4.457 0.368 1
1 593 . 11 1 1 A 54 54 VAL CB C 54 34.634 35.329 -0.695 1
1 603 . 11 1 1 A 54 54 VAL C C 54 176.105 174.267 1.838 1
1 604 . 11 1 1 A 55 55 GLN N N 55 119.414 120.662 -1.248 1
1 605 . 11 1 1 A 55 55 GLN H H 55 7.924 8.267 -0.343 1
1 606 . 11 1 1 A 55 55 GLN CA C 55 56.023 55.654 0.369 1
1 607 . 11 1 1 A 55 55 GLN HA H 55 4.456 4.657 -0.201 1
1 608 . 11 1 1 A 55 55 GLN CB C 55 30.216 29.907 0.309 1
1 617 . 11 1 1 A 55 55 GLN C C 55 176.800 175.699 1.101 1
1 618 . 11 1 1 A 56 56 ASN N N 56 125.676 123.636 2.040 1
1 619 . 11 1 1 A 56 56 ASN H H 56 8.837 9.005 -0.168 1
1 620 . 11 1 1 A 56 56 ASN CA C 56 53.190 52.637 0.553 1
1 621 . 11 1 1 A 56 56 ASN HA H 56 4.575 4.924 -0.349 1
1 622 . 11 1 1 A 56 56 ASN CB C 56 36.855 36.642 0.213 1
1 628 . 11 1 1 A 56 56 ASN C C 56 174.747 175.369 -0.622 1
1 629 . 11 1 1 A 57 57 LEU N N 57 124.779 122.797 1.982 1
1 630 . 11 1 1 A 57 57 LEU H H 57 7.284 8.274 -0.990 1
1 631 . 11 1 1 A 57 57 LEU CA C 57 55.224 57.611 -2.387 1
1 632 . 11 1 1 A 57 57 LEU HA H 57 4.326 4.089 0.237 1
1 633 . 11 1 1 A 57 57 LEU CB C 57 43.634 42.366 1.268 1
1 646 . 11 1 1 A 57 57 LEU C C 57 176.186 176.995 -0.809 1
1 647 . 11 1 1 A 58 58 ALA N N 58 119.342 120.196 -0.854 1
1 648 . 11 1 1 A 58 58 ALA H H 58 7.724 7.810 -0.086 1
1 649 . 11 1 1 A 58 58 ALA CA C 58 51.687 50.599 1.088 1
1 650 . 11 1 1 A 58 58 ALA HA H 58 4.343 4.572 -0.229 1
1 651 . 11 1 1 A 58 58 ALA CB C 58 21.122 20.586 0.536 1
1 655 . 11 1 1 A 58 58 ALA C C 58 175.847 178.014 -2.167 1
1 656 . 11 1 1 A 59 59 PHE N N 59 118.235 119.934 -1.699 1
1 657 . 11 1 1 A 59 59 PHE H H 59 8.231 8.929 -0.698 1
1 658 . 11 1 1 A 59 59 PHE CA C 59 60.105 61.057 -0.952 1
1 659 . 11 1 1 A 59 59 PHE HA H 59 4.428 4.247 0.181 1
1 660 . 11 1 1 A 59 59 PHE CB C 59 40.386 38.229 2.157 1
1 673 . 11 1 1 A 59 59 PHE C C 59 176.670 175.718 0.952 1
1 674 . 11 1 1 A 60 60 GLU N N 60 120.295 116.405 3.890 1
1 675 . 11 1 1 A 60 60 GLU H H 60 8.482 6.424 2.058 1
1 676 . 11 1 1 A 60 60 GLU CA C 60 57.134 54.915 2.219 1
1 677 . 11 1 1 A 60 60 GLU HA H 60 4.306 4.795 -0.489 1
1 678 . 11 1 1 A 60 60 GLU CB C 60 29.569 32.684 -3.115 1
1 684 . 11 1 1 A 60 60 GLU C C 60 175.584 175.517 0.067 1
1 685 . 11 1 1 A 61 61 LYS N N 61 123.512 118.575 4.937 1
1 686 . 11 1 1 A 61 61 LYS H H 61 8.377 9.013 -0.636 1
1 687 . 11 1 1 A 61 61 LYS CA C 61 55.939 54.552 1.387 1
1 688 . 11 1 1 A 61 61 LYS HA H 61 5.038 4.833 0.205 1
1 689 . 11 1 1 A 61 61 LYS CB C 61 37.890 36.595 1.295 1
1 701 . 11 1 1 A 61 61 LYS C C 61 175.510 174.091 1.419 1
1 702 . 11 1 1 A 62 62 THR N N 62 117.107 112.670 4.437 1
1 703 . 11 1 1 A 62 62 THR H H 62 8.285 8.212 0.073 1
1 704 . 11 1 1 A 62 62 THR CA C 62 62.340 61.292 1.048 1
1 705 . 11 1 1 A 62 62 THR HA H 62 4.435 4.915 -0.480 1
1 706 . 11 1 1 A 62 62 THR CB C 62 71.605 71.361 0.244 1
1 712 . 11 1 1 A 62 62 THR C C 62 172.156 173.009 -0.853 1
1 713 . 11 1 1 A 63 63 VAL N N 63 128.402 127.403 0.999 1
1 714 . 11 1 1 A 63 63 VAL H H 63 8.719 8.546 0.173 1
1 715 . 11 1 1 A 63 63 VAL CA C 63 60.707 60.855 -0.148 1
1 716 . 11 1 1 A 63 63 VAL HA H 63 4.755 4.769 -0.014 1
1 717 . 11 1 1 A 63 63 VAL CB C 63 35.210 33.986 1.224 1
1 727 . 11 1 1 A 63 63 VAL C C 63 174.313 174.796 -0.483 1
1 728 . 11 1 1 A 64 64 LYS N N 64 123.629 125.239 -1.610 1
1 729 . 11 1 1 A 64 64 LYS H H 64 8.519 8.255 0.264 1
1 730 . 11 1 1 A 64 64 LYS CA C 64 54.850 54.838 0.012 1
1 731 . 11 1 1 A 64 64 LYS HA H 64 4.997 4.982 0.015 1
1 732 . 11 1 1 A 64 64 LYS CB C 64 37.343 36.500 0.843 1
1 744 . 11 1 1 A 64 64 LYS C C 64 173.348 174.886 -1.538 1
1 745 . 11 1 1 A 65 65 ILE N N 65 119.250 124.407 -5.157 1
1 746 . 11 1 1 A 65 65 ILE H H 65 8.637 8.702 -0.065 1
1 747 . 11 1 1 A 65 65 ILE CA C 65 57.894 60.130 -2.236 1
1 748 . 11 1 1 A 65 65 ILE HA H 65 4.451 4.728 -0.277 1
1 749 . 11 1 1 A 65 65 ILE CB C 65 37.638 38.751 -1.113 1
1 762 . 11 1 1 A 65 65 ILE C C 65 174.893 174.672 0.221 1
1 763 . 11 1 1 A 66 66 ARG N N 66 130.193 129.239 0.954 1
1 764 . 11 1 1 A 66 66 ARG H H 66 9.244 8.996 0.248 1
1 765 . 11 1 1 A 66 66 ARG CA C 66 55.930 54.775 1.155 1
1 766 . 11 1 1 A 66 66 ARG HA H 66 5.440 4.876 0.564 1
1 767 . 11 1 1 A 66 66 ARG CB C 66 31.514 32.333 -0.819 1
1 778 . 11 1 1 A 66 66 ARG C C 66 174.161 174.681 -0.520 1
1 779 . 11 1 1 A 67 67 MET N N 67 128.046 127.583 0.463 1
1 780 . 11 1 1 A 67 67 MET H H 67 9.343 9.346 -0.003 1
1 781 . 11 1 1 A 67 67 MET CA C 67 54.217 53.964 0.253 1
1 782 . 11 1 1 A 67 67 MET HA H 67 5.318 5.401 -0.083 1
1 783 . 11 1 1 A 67 67 MET CB C 67 37.533 35.985 1.548 1
1 793 . 11 1 1 A 67 67 MET C C 67 173.432 173.916 -0.484 1
1 794 . 11 1 1 A 68 68 THR N N 68 118.404 120.091 -1.687 1
1 795 . 11 1 1 A 68 68 THR H H 68 8.474 8.839 -0.365 1
1 796 . 11 1 1 A 68 68 THR CA C 68 58.903 59.382 -0.479 1
1 797 . 11 1 1 A 68 68 THR HA H 68 3.948 5.207 -1.259 1
1 798 . 11 1 1 A 68 68 THR CB C 68 71.091 71.263 -0.172 1
1 804 . 11 1 1 A 68 68 THR C C 68 170.783 173.792 -3.009 1
1 805 . 11 1 1 A 69 69 PHE N N 69 124.029 124.219 -0.190 1
1 806 . 11 1 1 A 69 69 PHE H H 69 8.910 9.279 -0.369 1
1 807 . 11 1 1 A 69 69 PHE CA C 69 55.772 57.292 -1.520 1
1 808 . 11 1 1 A 69 69 PHE HA H 69 4.783 4.704 0.079 1
1 809 . 11 1 1 A 69 69 PHE CB C 69 39.748 39.529 0.219 1
1 822 . 11 1 1 A 69 69 PHE C C 69 174.951 174.988 -0.037 1
1 823 . 11 1 1 A 70 70 ASP N N 70 121.457 119.263 2.194 1
1 824 . 11 1 1 A 70 70 ASP H H 70 8.841 7.206 1.635 1
1 825 . 11 1 1 A 70 70 ASP CA C 70 52.288 52.754 -0.466 1
1 826 . 11 1 1 A 70 70 ASP HA H 70 4.661 4.939 -0.278 1
1 827 . 11 1 1 A 70 70 ASP CB C 70 40.026 41.674 -1.648 1
1 830 . 11 1 1 A 70 70 ASP C C 70 177.065 175.682 1.383 1
1 831 . 11 1 1 A 71 71 THR N N 71 114.661 115.140 -0.479 1
1 832 . 11 1 1 A 71 71 THR H H 71 8.724 8.880 -0.156 1
1 833 . 11 1 1 A 71 71 THR CA C 71 63.824 63.088 0.736 1
1 834 . 11 1 1 A 71 71 THR HA H 71 3.181 3.937 -0.756 1
1 835 . 11 1 1 A 71 71 THR CB C 71 66.535 66.992 -0.457 1
1 841 . 11 1 1 A 71 71 THR C C 71 173.648 173.983 -0.335 1
1 842 . 11 1 1 A 72 72 TRP N N 72 111.097 113.231 -2.134 1
1 843 . 11 1 1 A 72 72 TRP H H 72 8.854 8.002 0.852 1
1 844 . 11 1 1 A 72 72 TRP CA C 72 58.910 57.967 0.943 1
1 845 . 11 1 1 A 72 72 TRP HA H 72 3.951 4.253 -0.302 1
1 846 . 11 1 1 A 72 72 TRP CB C 72 24.332 26.444 -2.112 1
1 861 . 11 1 1 A 72 72 TRP C C 72 176.875 176.209 0.666 1
1 862 . 11 1 1 A 73 73 LYS N N 73 124.701 117.527 7.174 1
1 863 . 11 1 1 A 73 73 LYS H H 73 7.785 8.251 -0.466 1
1 864 . 11 1 1 A 73 73 LYS CA C 73 60.463 56.710 3.753 1
1 865 . 11 1 1 A 73 73 LYS HA H 73 4.174 4.484 -0.310 1
1 866 . 11 1 1 A 73 73 LYS CB C 73 31.024 35.394 -4.370 1
1 878 . 11 1 1 A 73 73 LYS C C 73 177.622 176.484 1.138 1
1 879 . 11 1 1 A 74 74 SER N N 74 117.041 112.502 4.539 1
1 880 . 11 1 1 A 74 74 SER H H 74 10.002 7.841 2.161 1
1 881 . 11 1 1 A 74 74 SER CA C 74 57.539 56.703 0.836 1
1 882 . 11 1 1 A 74 74 SER HA H 74 4.556 4.648 -0.092 1
1 883 . 11 1 1 A 74 74 SER CB C 74 66.372 63.968 2.404 1
1 886 . 11 1 1 A 74 74 SER C C 74 171.956 172.150 -0.194 1
1 887 . 11 1 1 A 75 75 TYR N N 75 113.320 125.122 -11.802 1
1 888 . 11 1 1 A 75 75 TYR H H 75 7.735 8.293 -0.558 1
1 889 . 11 1 1 A 75 75 TYR CA C 75 57.155 55.244 1.911 1
1 890 . 11 1 1 A 75 75 TYR HA H 75 5.229 5.783 -0.554 1
1 891 . 11 1 1 A 75 75 TYR CB C 75 40.745 42.399 -1.654 1
1 902 . 11 1 1 A 75 75 TYR C C 75 174.262 174.373 -0.111 1
1 903 . 11 1 1 A 76 76 THR N N 76 117.158 114.348 2.810 1
1 904 . 11 1 1 A 76 76 THR H H 76 9.212 8.648 0.564 1
1 905 . 11 1 1 A 76 76 THR CA C 76 62.104 61.083 1.021 1
1 906 . 11 1 1 A 76 76 THR HA H 76 4.318 4.970 -0.652 1
1 907 . 11 1 1 A 76 76 THR CB C 76 72.675 72.054 0.621 1
1 913 . 11 1 1 A 76 76 THR C C 76 171.344 172.113 -0.769 1
1 914 . 11 1 1 A 77 77 ASP N N 77 125.875 126.852 -0.977 1
1 915 . 11 1 1 A 77 77 ASP H H 77 8.569 8.736 -0.167 1
1 916 . 11 1 1 A 77 77 ASP CA C 77 52.422 53.059 -0.637 1
1 917 . 11 1 1 A 77 77 ASP HA H 77 5.865 4.696 1.169 1
1 918 . 11 1 1 A 77 77 ASP CB C 77 41.512 41.715 -0.203 1
1 921 . 11 1 1 A 77 77 ASP C C 77 175.921 174.682 1.239 1
1 922 . 11 1 1 A 78 78 PHE N N 78 125.666 126.483 -0.817 1
1 923 . 11 1 1 A 78 78 PHE H H 78 9.992 8.363 1.629 1
1 924 . 11 1 1 A 78 78 PHE CA C 78 55.578 55.492 0.086 1
1 925 . 11 1 1 A 78 78 PHE HA H 78 4.943 4.983 -0.040 1
1 926 . 11 1 1 A 78 78 PHE CB C 78 40.375 40.694 -0.319 1
1 939 . 11 1 1 A 78 78 PHE C C 78 173.610 174.053 -0.443 1
1 940 . 11 1 1 A 79 79 PRO CA C 79 63.363 63.156 0.207 1
1 941 . 11 1 1 A 79 79 PRO HA H 79 4.615 4.630 -0.015 1
1 942 . 11 1 1 A 79 79 PRO CB C 79 32.787 32.537 0.250 1
1 951 . 11 1 1 A 79 79 PRO C C 79 176.681 177.128 -0.447 1
1 952 . 11 1 1 A 80 80 CYS N N 80 117.289 121.441 -4.152 1
1 953 . 11 1 1 A 80 80 CYS H H 80 8.308 8.026 0.282 1
1 954 . 11 1 1 A 80 80 CYS CA C 80 57.675 59.185 -1.510 1
1 955 . 11 1 1 A 80 80 CYS HA H 80 5.242 4.874 0.368 1
1 956 . 11 1 1 A 80 80 CYS CB C 80 30.658 29.744 0.914 1
1 959 . 11 1 1 A 80 80 CYS C C 80 174.899 174.332 0.567 1
1 960 . 11 1 1 A 81 81 GLN N N 81 122.188 119.484 2.704 1
1 961 . 11 1 1 A 81 81 GLN H H 81 9.312 8.958 0.354 1
1 962 . 11 1 1 A 81 81 GLN CA C 81 54.620 54.382 0.238 1
1 963 . 11 1 1 A 81 81 GLN HA H 81 4.911 5.013 -0.102 1
1 964 . 11 1 1 A 81 81 GLN CB C 81 31.213 32.299 -1.086 1
1 973 . 11 1 1 A 81 81 GLN C C 81 175.035 173.816 1.219 1
1 974 . 11 1 1 A 82 82 TYR N N 82 125.814 122.988 2.826 1
1 975 . 11 1 1 A 82 82 TYR H H 82 8.919 8.924 -0.005 1
1 976 . 11 1 1 A 82 82 TYR CA C 82 58.764 56.008 2.756 1
1 977 . 11 1 1 A 82 82 TYR HA H 82 3.403 5.033 -1.630 1
1 978 . 11 1 1 A 82 82 TYR CB C 82 38.346 41.561 -3.215 1
1 989 . 11 1 1 A 82 82 TYR C C 82 175.413 173.742 1.671 1
1 990 . 11 1 1 A 83 83 VAL N N 83 129.316 126.687 2.629 1
1 991 . 11 1 1 A 83 83 VAL H H 83 7.782 8.296 -0.514 1
1 992 . 11 1 1 A 83 83 VAL CA C 83 61.693 61.839 -0.146 1
1 993 . 11 1 1 A 83 83 VAL HA H 83 3.758 4.316 -0.558 1
1 994 . 11 1 1 A 83 83 VAL CB C 83 32.564 31.428 1.136 1
1 1004 . 11 1 1 A 83 83 VAL C C 83 173.771 176.094 -2.323 1
1 1005 . 11 1 1 A 84 84 LYS N N 84 126.665 122.532 4.133 1
1 1006 . 11 1 1 A 84 84 LYS H H 84 8.174 8.449 -0.275 1
1 1007 . 11 1 1 A 84 84 LYS CA C 84 56.144 55.820 0.324 1
1 1008 . 11 1 1 A 84 84 LYS HA H 84 4.016 4.746 -0.730 1
1 1009 . 11 1 1 A 84 84 LYS CB C 84 32.170 32.057 0.113 1
1 1021 . 11 1 1 A 84 84 LYS C C 84 175.610 175.955 -0.345 1
1 1022 . 11 1 1 A 85 85 ASP N N 85 124.262 121.538 2.724 1
1 1023 . 11 1 1 A 85 85 ASP H H 85 7.864 7.730 0.134 1
1 1024 . 11 1 1 A 85 85 ASP CA C 85 53.349 54.018 -0.669 1
1 1025 . 11 1 1 A 85 85 ASP HA H 85 4.678 4.690 -0.012 1
1 1026 . 11 1 1 A 85 85 ASP CB C 85 41.683 42.044 -0.361 1
1 1029 . 11 1 1 A 85 85 ASP C C 85 176.841 177.025 -0.184 1
1 1030 . 11 1 1 A 86 86 THR N N 86 113.656 118.858 -5.202 1
1 1031 . 11 1 1 A 86 86 THR H H 86 8.065 8.874 -0.809 1
1 1032 . 11 1 1 A 86 86 THR CA C 86 63.274 66.274 -3.000 1
1 1033 . 11 1 1 A 86 86 THR HA H 86 4.086 3.848 0.238 1
1 1034 . 11 1 1 A 86 86 THR CB C 86 69.257 68.747 0.510 1
1 1040 . 11 1 1 A 86 86 THR C C 86 174.589 175.475 -0.886 1
1 1041 . 11 1 1 A 87 87 TYR N N 87 120.837 118.084 2.753 1
1 1042 . 11 1 1 A 87 87 TYR H H 87 8.064 7.940 0.124 1
1 1043 . 11 1 1 A 87 87 TYR CA C 87 58.054 57.021 1.033 1
1 1044 . 11 1 1 A 87 87 TYR HA H 87 4.527 4.620 -0.093 1
1 1045 . 11 1 1 A 87 87 TYR CB C 87 38.297 37.115 1.182 1
1 1056 . 11 1 1 A 87 87 TYR C C 87 175.590 174.845 0.745 1
1 1057 . 11 1 1 A 88 88 ALA N N 88 125.226 120.266 4.960 1
1 1058 . 11 1 1 A 88 88 ALA H H 88 7.963 7.360 0.603 1
1 1059 . 11 1 1 A 88 88 ALA CA C 88 53.104 51.841 1.263 1
1 1060 . 11 1 1 A 88 88 ALA HA H 88 4.389 4.716 -0.327 1
1 1061 . 11 1 1 A 88 88 ALA CB C 88 19.127 21.465 -2.338 1
1 1065 . 11 1 1 A 88 88 ALA C C 88 178.497 176.225 2.272 1
1 1066 . 11 1 1 A 89 89 GLY N N 89 109.029 110.271 -1.242 1
1 1067 . 11 1 1 A 89 89 GLY H H 89 8.479 8.543 -0.064 1
1 1068 . 11 1 1 A 89 89 GLY CA C 89 45.426 45.642 -0.216 1
1 1069 . 11 1 1 A 89 89 GLY HA2 H 89 3.952 4.080 -0.128 1
1 1070 . 11 1 1 A 89 89 GLY HA3 H 89 4.079 4.106 -0.027 1
1 1071 . 11 1 1 A 89 89 GLY C C 89 174.563 174.243 0.320 1
1 1072 . 11 1 1 A 90 90 SER N N 90 115.638 116.941 -1.303 1
1 1073 . 11 1 1 A 90 90 SER H H 90 8.232 8.140 0.092 1
1 1074 . 11 1 1 A 90 90 SER CA C 90 58.443 58.689 -0.246 1
1 1075 . 11 1 1 A 90 90 SER HA H 90 4.574 4.725 -0.151 1
1 1076 . 11 1 1 A 90 90 SER CB C 90 63.865 64.483 -0.618 1
1 1079 . 11 1 1 A 90 90 SER C C 90 174.212 175.510 -1.298 1
1 1080 . 11 1 1 A 91 91 ASP N N 91 120.185 121.584 -1.399 1
1 1081 . 11 1 1 A 91 91 ASP H H 91 8.691 8.128 0.563 1
1 1082 . 11 1 1 A 91 91 ASP CA C 91 55.012 57.716 -2.704 1
1 1083 . 11 1 1 A 91 91 ASP HA H 91 4.684 4.413 0.271 1
1 1084 . 11 1 1 A 91 91 ASP CB C 91 40.643 41.139 -0.496 1
1 1087 . 11 1 1 A 91 91 ASP C C 91 176.350 175.534 0.816 1
1 1088 . 11 1 1 A 92 92 ARG N N 92 119.690 117.100 2.590 1
1 1089 . 11 1 1 A 92 92 ARG H H 92 8.072 8.067 0.005 1
1 1090 . 11 1 1 A 92 92 ARG CA C 92 54.941 54.641 0.300 1
1 1091 . 11 1 1 A 92 92 ARG HA H 92 5.022 4.783 0.239 1
1 1092 . 11 1 1 A 92 92 ARG CB C 92 32.816 33.323 -0.507 1
1 1101 . 11 1 1 A 92 92 ARG C C 92 174.072 173.745 0.327 1
1 1102 . 11 1 1 A 93 93 ASP N N 93 119.716 124.316 -4.600 1
1 1103 . 11 1 1 A 93 93 ASP H H 93 8.550 9.027 -0.477 1
1 1104 . 11 1 1 A 93 93 ASP CA C 93 53.411 52.727 0.684 1
1 1105 . 11 1 1 A 93 93 ASP HA H 93 5.108 5.037 0.071 1
1 1106 . 11 1 1 A 93 93 ASP CB C 93 46.005 42.279 3.726 1
1 1109 . 11 1 1 A 93 93 ASP C C 93 174.776 174.688 0.088 1
1 1110 . 11 1 1 A 94 94 THR N N 94 116.481 121.455 -4.974 1
1 1111 . 11 1 1 A 94 94 THR H H 94 8.932 8.713 0.219 1
1 1112 . 11 1 1 A 94 94 THR CA C 94 62.287 61.767 0.520 1
1 1113 . 11 1 1 A 94 94 THR HA H 94 5.232 4.773 0.459 1
1 1114 . 11 1 1 A 94 94 THR CB C 94 70.008 68.966 1.042 1
1 1120 . 11 1 1 A 94 94 THR C C 94 171.982 173.813 -1.831 1
1 1121 . 11 1 1 A 95 95 PHE N N 95 124.488 127.601 -3.113 1
1 1122 . 11 1 1 A 95 95 PHE H H 95 9.347 9.258 0.089 1
1 1123 . 11 1 1 A 95 95 PHE CA C 95 55.834 57.130 -1.296 1
1 1124 . 11 1 1 A 95 95 PHE HA H 95 5.321 5.373 -0.052 1
1 1125 . 11 1 1 A 95 95 PHE CB C 95 43.478 40.630 2.848 1
1 1138 . 11 1 1 A 95 95 PHE C C 95 174.780 174.835 -0.055 1
1 1139 . 11 1 1 A 96 96 SER N N 96 117.417 118.836 -1.419 1
1 1140 . 11 1 1 A 96 96 SER H H 96 10.108 8.829 1.279 1
1 1141 . 11 1 1 A 96 96 SER CA C 96 56.388 56.129 0.259 1
1 1142 . 11 1 1 A 96 96 SER HA H 96 5.575 5.484 0.091 1
1 1143 . 11 1 1 A 96 96 SER CB C 96 67.188 66.602 0.586 1
1 1146 . 11 1 1 A 96 96 SER C C 96 173.079 172.818 0.261 1
1 1147 . 11 1 1 A 97 97 PHE N N 97 114.813 118.829 -4.016 1
1 1148 . 11 1 1 A 97 97 PHE H H 97 7.991 8.423 -0.432 1
1 1149 . 11 1 1 A 97 97 PHE CA C 97 56.003 55.808 0.195 1
1 1150 . 11 1 1 A 97 97 PHE HA H 97 5.249 5.358 -0.109 1
1 1151 . 11 1 1 A 97 97 PHE CB C 97 42.008 41.938 0.070 1
1 1164 . 11 1 1 A 97 97 PHE C C 97 174.316 172.206 2.110 1
1 1165 . 11 1 1 A 98 98 ASP N N 98 121.809 120.907 0.902 1
1 1166 . 11 1 1 A 98 98 ASP H H 98 8.297 8.808 -0.511 1
1 1167 . 11 1 1 A 98 98 ASP CA C 98 54.789 53.454 1.335 1
1 1168 . 11 1 1 A 98 98 ASP HA H 98 5.006 5.331 -0.325 1
1 1169 . 11 1 1 A 98 98 ASP CB C 98 42.282 42.734 -0.452 1
1 1172 . 11 1 1 A 98 98 ASP C C 98 174.959 174.708 0.251 1
1 1173 . 11 1 1 A 99 99 ILE N N 99 126.714 126.606 0.108 1
1 1174 . 11 1 1 A 99 99 ILE H H 99 9.331 8.953 0.378 1
1 1175 . 11 1 1 A 99 99 ILE CA C 99 60.455 60.196 0.259 1
1 1176 . 11 1 1 A 99 99 ILE HA H 99 4.016 4.501 -0.485 1
1 1177 . 11 1 1 A 99 99 ILE CB C 99 42.110 39.932 2.178 1
1 1190 . 11 1 1 A 99 99 ILE C C 99 175.019 175.936 -0.917 1
1 1191 . 11 1 1 A 100 100 SER N N 100 122.590 121.082 1.508 1
1 1192 . 11 1 1 A 100 100 SER H H 100 8.345 8.668 -0.323 1
1 1193 . 11 1 1 A 100 100 SER CA C 100 58.848 56.467 2.381 1
1 1194 . 11 1 1 A 100 100 SER HA H 100 4.527 5.033 -0.506 1
1 1195 . 11 1 1 A 100 100 SER CB C 100 63.482 64.781 -1.299 1
1 1198 . 11 1 1 A 100 100 SER C C 100 173.557 174.235 -0.678 1
1 1199 . 11 1 1 A 101 101 LEU N N 101 124.776 125.096 -0.320 1
1 1200 . 11 1 1 A 101 101 LEU H H 101 8.277 9.055 -0.778 1
1 1201 . 11 1 1 A 101 101 LEU CA C 101 52.430 52.431 -0.001 1
1 1202 . 11 1 1 A 101 101 LEU HA H 101 4.375 4.810 -0.435 1
1 1203 . 11 1 1 A 101 101 LEU CB C 101 40.427 42.009 -1.582 1
1 1216 . 11 1 1 A 101 101 LEU C C 101 174.363 174.955 -0.592 1
1 1217 . 11 1 1 A 102 102 PRO CA C 102 62.488 62.154 0.334 1
1 1218 . 11 1 1 A 102 102 PRO HA H 102 4.259 4.453 -0.194 1
1 1219 . 11 1 1 A 102 102 PRO CB C 102 32.073 33.212 -1.139 1
1 1228 . 11 1 1 A 102 102 PRO C C 102 175.687 177.043 -1.356 1
1 1229 . 11 1 1 A 103 103 GLU N N 103 118.843 119.400 -0.557 1
1 1230 . 11 1 1 A 103 103 GLU H H 103 8.286 8.491 -0.205 1
1 1231 . 11 1 1 A 103 103 GLU CA C 103 58.131 58.910 -0.779 1
1 1232 . 11 1 1 A 103 103 GLU HA H 103 4.013 4.158 -0.145 1
1 1233 . 11 1 1 A 103 103 GLU CB C 103 30.344 29.276 1.068 1
1 1239 . 11 1 1 A 103 103 GLU C C 103 176.869 176.212 0.657 1
1 1240 . 11 1 1 A 104 104 LYS N N 104 116.544 118.017 -1.473 1
1 1241 . 11 1 1 A 104 104 LYS H H 104 7.869 7.773 0.096 1
1 1242 . 11 1 1 A 104 104 LYS CA C 104 55.314 55.144 0.170 1
1 1243 . 11 1 1 A 104 104 LYS HA H 104 4.474 4.975 -0.501 1
1 1244 . 11 1 1 A 104 104 LYS CB C 104 33.428 37.373 -3.945 1
1 1256 . 11 1 1 A 104 104 LYS C C 104 175.231 174.913 0.318 1
1 1257 . 11 1 1 A 105 105 ILE N N 105 122.507 121.551 0.956 1
1 1258 . 11 1 1 A 105 105 ILE H H 105 8.236 8.915 -0.679 1
1 1259 . 11 1 1 A 105 105 ILE CA C 105 60.636 60.556 0.080 1
1 1260 . 11 1 1 A 105 105 ILE HA H 105 4.190 5.069 -0.879 1
1 1261 . 11 1 1 A 105 105 ILE CB C 105 39.685 42.011 -2.326 1
1 1274 . 11 1 1 A 105 105 ILE C C 105 176.091 174.481 1.610 1
1 1275 . 11 1 1 A 106 106 GLN N N 106 124.467 125.004 -0.537 1
1 1276 . 11 1 1 A 106 106 GLN H H 106 8.752 9.084 -0.332 1
1 1277 . 11 1 1 A 106 106 GLN CA C 106 56.244 54.673 1.571 1
1 1278 . 11 1 1 A 106 106 GLN HA H 106 4.243 4.937 -0.694 1
1 1279 . 11 1 1 A 106 106 GLN CB C 106 28.717 30.005 -1.288 1
1 1288 . 11 1 1 A 106 106 GLN C C 106 177.593 175.938 1.655 1
1 1289 . 11 1 1 A 107 107 SER N N 107 116.963 114.833 2.130 1
1 1290 . 11 1 1 A 107 107 SER H H 107 8.623 8.806 -0.183 1
1 1291 . 11 1 1 A 107 107 SER CA C 107 60.530 62.427 -1.897 1
1 1292 . 11 1 1 A 107 107 SER HA H 107 4.152 4.191 -0.039 1
1 1293 . 11 1 1 A 107 107 SER CB C 107 63.187 63.028 0.159 1
1 1296 . 11 1 1 A 107 107 SER C C 107 174.222 175.082 -0.860 1
1 1297 . 11 1 1 A 108 108 TYR N N 108 116.323 120.515 -4.192 1
1 1298 . 11 1 1 A 108 108 TYR H H 108 7.330 8.276 -0.946 1
1 1299 . 11 1 1 A 108 108 TYR CA C 108 56.727 57.829 -1.102 1
1 1300 . 11 1 1 A 108 108 TYR HA H 108 4.655 4.447 0.208 1
1 1301 . 11 1 1 A 108 108 TYR CB C 108 37.491 39.841 -2.350 1
1 1312 . 11 1 1 A 108 108 TYR C C 108 175.768 175.761 0.007 1
1 1313 . 11 1 1 A 109 109 GLU N N 109 120.523 121.065 -0.542 1
1 1314 . 11 1 1 A 109 109 GLU H H 109 7.587 8.924 -1.337 1
1 1315 . 11 1 1 A 109 109 GLU CA C 109 55.573 56.961 -1.388 1
1 1316 . 11 1 1 A 109 109 GLU HA H 109 4.582 4.215 0.367 1
1 1317 . 11 1 1 A 109 109 GLU CB C 109 31.360 26.949 4.411 1
1 1323 . 11 1 1 A 109 109 GLU C C 109 176.013 176.185 -0.172 1
1 1324 . 11 1 1 A 110 110 ARG N N 110 118.559 121.948 -3.389 1
1 1325 . 11 1 1 A 110 110 ARG H H 110 8.441 7.447 0.994 1
1 1326 . 11 1 1 A 110 110 ARG CA C 110 55.667 56.603 -0.936 1
1 1327 . 11 1 1 A 110 110 ARG HA H 110 4.786 4.258 0.528 1
1 1328 . 11 1 1 A 110 110 ARG CB C 110 32.404 31.127 1.277 1
1 1339 . 11 1 1 A 110 110 ARG C C 110 174.387 174.632 -0.245 1
1 1340 . 11 1 1 A 111 111 MET N N 111 122.471 124.587 -2.116 1
1 1341 . 11 1 1 A 111 111 MET H H 111 8.665 8.539 0.126 1
1 1342 . 11 1 1 A 111 111 MET CA C 111 54.151 53.777 0.374 1
1 1343 . 11 1 1 A 111 111 MET HA H 111 5.167 5.122 0.045 1
1 1344 . 11 1 1 A 111 111 MET CB C 111 35.735 34.844 0.891 1
1 1354 . 11 1 1 A 111 111 MET C C 111 174.924 174.420 0.504 1
1 1355 . 11 1 1 A 112 112 GLU N N 112 119.500 125.481 -5.981 1
1 1356 . 11 1 1 A 112 112 GLU H H 112 7.951 8.157 -0.206 1
1 1357 . 11 1 1 A 112 112 GLU CA C 112 53.909 54.663 -0.754 1
1 1358 . 11 1 1 A 112 112 GLU HA H 112 5.662 4.932 0.730 1
1 1359 . 11 1 1 A 112 112 GLU CB C 112 35.198 33.925 1.273 1
1 1365 . 11 1 1 A 112 112 GLU C C 112 174.483 175.174 -0.691 1
1 1366 . 11 1 1 A 113 113 PHE N N 113 115.033 117.947 -2.914 1
1 1367 . 11 1 1 A 113 113 PHE H H 113 9.278 8.877 0.401 1
1 1368 . 11 1 1 A 113 113 PHE CA C 113 55.857 55.915 -0.058 1
1 1369 . 11 1 1 A 113 113 PHE HA H 113 6.262 5.616 0.646 1
1 1370 . 11 1 1 A 113 113 PHE CB C 113 43.656 42.623 1.033 1
1 1383 . 11 1 1 A 113 113 PHE C C 113 172.253 172.898 -0.645 1
1 1384 . 11 1 1 A 114 114 ALA N N 114 121.461 121.961 -0.500 1
1 1385 . 11 1 1 A 114 114 ALA H H 114 9.475 8.944 0.531 1
1 1386 . 11 1 1 A 114 114 ALA CA C 114 50.860 51.101 -0.241 1
1 1387 . 11 1 1 A 114 114 ALA HA H 114 5.026 5.211 -0.185 1
1 1388 . 11 1 1 A 114 114 ALA CB C 114 23.129 23.741 -0.612 1
1 1392 . 11 1 1 A 114 114 ALA C C 114 174.903 176.457 -1.554 1
1 1393 . 11 1 1 A 115 115 VAL N N 115 120.899 119.609 1.290 1
1 1394 . 11 1 1 A 115 115 VAL H H 115 8.928 8.885 0.043 1
1 1395 . 11 1 1 A 115 115 VAL CA C 115 61.379 61.769 -0.390 1
1 1396 . 11 1 1 A 115 115 VAL HA H 115 4.798 4.746 0.052 1
1 1397 . 11 1 1 A 115 115 VAL CB C 115 34.712 32.824 1.888 1
1 1407 . 11 1 1 A 115 115 VAL C C 115 174.444 174.302 0.142 1
1 1408 . 11 1 1 A 116 116 TYR N N 116 123.426 127.779 -4.353 1
1 1409 . 11 1 1 A 116 116 TYR H H 116 8.963 8.341 0.622 1
1 1410 . 11 1 1 A 116 116 TYR CA C 116 55.480 54.735 0.745 1
1 1411 . 11 1 1 A 116 116 TYR HA H 116 5.081 4.501 0.580 1
1 1412 . 11 1 1 A 116 116 TYR CB C 116 38.928 39.304 -0.376 1
1 1423 . 11 1 1 A 116 116 TYR C C 116 172.208 172.940 -0.732 1
1 1424 . 11 1 1 A 117 117 TYR N N 117 123.249 129.818 -6.569 1
1 1425 . 11 1 1 A 117 117 TYR H H 117 8.858 8.935 -0.077 1
1 1426 . 11 1 1 A 117 117 TYR CA C 117 52.371 56.633 -4.262 1
1 1427 . 11 1 1 A 117 117 TYR HA H 117 5.528 4.592 0.936 1
1 1428 . 11 1 1 A 117 117 TYR CB C 117 41.509 40.044 1.465 1
1 1439 . 11 1 1 A 117 117 TYR C C 117 173.159 173.508 -0.349 1
1 1440 . 11 1 1 A 118 118 GLU N N 118 127.681 127.540 0.141 1
1 1441 . 11 1 1 A 118 118 GLU H H 118 9.368 8.479 0.889 1
1 1442 . 11 1 1 A 118 118 GLU CA C 118 54.179 55.101 -0.922 1
1 1443 . 11 1 1 A 118 118 GLU HA H 118 5.085 4.753 0.332 1
1 1444 . 11 1 1 A 118 118 GLU CB C 118 32.099 31.477 0.622 1
1 1450 . 11 1 1 A 118 118 GLU C C 118 175.565 174.590 0.975 1
1 1451 . 11 1 1 A 119 119 CYS N N 119 122.152 123.592 -1.440 1
1 1452 . 11 1 1 A 119 119 CYS H H 119 8.323 8.161 0.162 1
1 1453 . 11 1 1 A 119 119 CYS CA C 119 58.248 58.066 0.182 1
1 1454 . 11 1 1 A 119 119 CYS HA H 119 4.479 4.480 -0.001 1
1 1455 . 11 1 1 A 119 119 CYS CB C 119 29.065 30.347 -1.282 1
1 1458 . 11 1 1 A 119 119 CYS C C 119 174.586 173.001 1.585 1
1 1459 . 11 1 1 A 120 120 ASN N N 120 126.917 124.719 2.198 1
1 1460 . 11 1 1 A 120 120 ASN H H 120 9.858 9.107 0.751 1
1 1461 . 11 1 1 A 120 120 ASN CA C 120 53.735 54.441 -0.706 1
1 1462 . 11 1 1 A 120 120 ASN HA H 120 4.342 4.377 -0.035 1
1 1463 . 11 1 1 A 120 120 ASN CB C 120 37.873 37.421 0.452 1
1 1469 . 11 1 1 A 120 120 ASN C C 120 174.943 175.391 -0.448 1
1 1470 . 11 1 1 A 121 121 GLY N N 121 104.866 103.815 1.051 1
1 1471 . 11 1 1 A 121 121 GLY H H 121 8.776 8.558 0.218 1
1 1472 . 11 1 1 A 121 121 GLY CA C 121 45.586 46.438 -0.852 1
1 1473 . 11 1 1 A 121 121 GLY HA2 H 121 4.041 3.830 0.211 1
1 1474 . 11 1 1 A 121 121 GLY HA3 H 121 3.553 3.847 -0.294 1
1 1475 . 11 1 1 A 121 121 GLY C C 121 173.804 173.686 0.118 1
1 1476 . 11 1 1 A 122 122 GLN N N 122 119.988 118.609 1.379 1
1 1477 . 11 1 1 A 122 122 GLN H H 122 7.677 7.573 0.104 1
1 1478 . 11 1 1 A 122 122 GLN CA C 122 53.624 53.415 0.209 1
1 1479 . 11 1 1 A 122 122 GLN HA H 122 4.395 4.744 -0.349 1
1 1480 . 11 1 1 A 122 122 GLN CB C 122 31.456 32.387 -0.931 1
1 1489 . 11 1 1 A 122 122 GLN C C 122 174.029 174.142 -0.113 1
1 1490 . 11 1 1 A 123 123 THR N N 123 116.337 116.235 0.102 1
1 1491 . 11 1 1 A 123 123 THR H H 123 7.990 8.554 -0.564 1
1 1492 . 11 1 1 A 123 123 THR CA C 123 61.935 61.462 0.473 1
1 1493 . 11 1 1 A 123 123 THR HA H 123 4.620 4.605 0.015 1
1 1494 . 11 1 1 A 123 123 THR CB C 123 70.005 70.414 -0.409 1
1 1500 . 11 1 1 A 123 123 THR C C 123 172.596 173.016 -0.420 1
1 1501 . 11 1 1 A 124 124 TYR N N 124 128.915 126.592 2.323 1
1 1502 . 11 1 1 A 124 124 TYR H H 124 9.416 8.565 0.851 1
1 1503 . 11 1 1 A 124 124 TYR CA C 124 56.388 56.934 -0.546 1
1 1504 . 11 1 1 A 124 124 TYR HA H 124 4.962 5.026 -0.064 1
1 1505 . 11 1 1 A 124 124 TYR CB C 124 40.688 39.343 1.345 1
1 1516 . 11 1 1 A 124 124 TYR C C 124 174.284 175.175 -0.891 1
1 1517 . 11 1 1 A 125 125 TRP N N 125 119.850 123.700 -3.850 1
1 1518 . 11 1 1 A 125 125 TRP H H 125 8.738 9.086 -0.348 1
1 1519 . 11 1 1 A 125 125 TRP CA C 125 56.940 55.695 1.245 1
1 1520 . 11 1 1 A 125 125 TRP HA H 125 5.388 5.417 -0.029 1
1 1521 . 11 1 1 A 125 125 TRP CB C 125 33.031 31.424 1.607 1
1 1536 . 11 1 1 A 125 125 TRP C C 125 176.973 174.860 2.113 1
1 1537 . 11 1 1 A 126 126 ASP N N 126 118.759 126.704 -7.945 1
1 1538 . 11 1 1 A 126 126 ASP H H 126 9.436 9.061 0.375 1
1 1539 . 11 1 1 A 126 126 ASP CA C 126 53.968 52.606 1.362 1
1 1540 . 11 1 1 A 126 126 ASP HA H 126 5.213 5.157 0.056 1
1 1541 . 11 1 1 A 126 126 ASP CB C 126 42.641 41.786 0.855 1
1 1544 . 11 1 1 A 126 126 ASP C C 126 176.043 174.617 1.426 1
1 1545 . 11 1 1 A 127 127 SER N N 127 119.074 120.164 -1.090 1
1 1546 . 11 1 1 A 127 127 SER H H 127 8.520 8.731 -0.211 1
1 1547 . 11 1 1 A 127 127 SER CA C 127 55.118 56.954 -1.836 1
1 1548 . 11 1 1 A 127 127 SER HA H 127 4.811 4.960 -0.149 1
1 1549 . 11 1 1 A 127 127 SER CB C 127 63.866 63.834 0.032 1
1 1552 . 11 1 1 A 127 127 SER C C 127 175.840 174.358 1.482 1
1 1553 . 11 1 1 A 128 128 ASN N N 128 124.865 118.509 6.356 1
1 1554 . 11 1 1 A 128 128 ASN H H 128 9.242 8.813 0.429 1
1 1555 . 11 1 1 A 128 128 ASN CA C 128 53.224 53.251 -0.027 1
1 1556 . 11 1 1 A 128 128 ASN HA H 128 4.071 3.250 0.821 1
1 1557 . 11 1 1 A 128 128 ASN CB C 128 34.281 36.276 -1.995 1
1 1563 . 11 1 1 A 128 128 ASN C C 128 176.607 174.018 2.589 1
1 1564 . 11 1 1 A 129 129 ARG N N 129 114.718 112.036 2.682 1
1 1565 . 11 1 1 A 129 129 ARG H H 129 9.475 7.925 1.550 1
1 1566 . 11 1 1 A 129 129 ARG CA C 129 56.798 56.989 -0.191 1
1 1567 . 11 1 1 A 129 129 ARG HA H 129 3.774 3.861 -0.087 1
1 1568 . 11 1 1 A 129 129 ARG CB C 129 27.145 27.941 -0.796 1
1 1579 . 11 1 1 A 129 129 ARG C C 129 176.132 175.781 0.351 1
1 1580 . 11 1 1 A 130 130 GLY N N 130 106.337 105.816 0.521 1
1 1581 . 11 1 1 A 130 130 GLY H H 130 7.568 7.833 -0.265 1
1 1582 . 11 1 1 A 130 130 GLY CA C 130 44.896 46.060 -1.164 1
1 1583 . 11 1 1 A 130 130 GLY HA2 H 130 4.103 4.070 0.033 1
1 1584 . 11 1 1 A 130 130 GLY HA3 H 130 3.425 4.090 -0.665 1
1 1585 . 11 1 1 A 130 130 GLY C C 130 174.521 173.850 0.671 1
1 1586 . 11 1 1 A 131 131 LYS N N 131 119.902 124.372 -4.470 1
1 1587 . 11 1 1 A 131 131 LYS H H 131 7.278 8.175 -0.897 1
1 1588 . 11 1 1 A 131 131 LYS CA C 131 57.336 57.662 -0.326 1
1 1589 . 11 1 1 A 131 131 LYS HA H 131 4.132 4.255 -0.123 1
1 1590 . 11 1 1 A 131 131 LYS CB C 131 33.719 32.973 0.746 1
1 1602 . 11 1 1 A 131 131 LYS C C 131 177.813 176.248 1.565 1
1 1603 . 11 1 1 A 132 132 ASN N N 132 107.489 113.631 -6.142 1
1 1604 . 11 1 1 A 132 132 ASN H H 132 8.268 7.537 0.731 1
1 1605 . 11 1 1 A 132 132 ASN CA C 132 54.717 52.544 2.173 1
1 1606 . 11 1 1 A 132 132 ASN HA H 132 3.691 4.829 -1.138 1
1 1607 . 11 1 1 A 132 132 ASN CB C 132 39.462 41.832 -2.370 1
1 1613 . 11 1 1 A 132 132 ASN C C 132 172.611 172.681 -0.070 1
1 1614 . 11 1 1 A 133 133 TYR N N 133 120.541 119.020 1.521 1
1 1615 . 11 1 1 A 133 133 TYR H H 133 8.696 8.435 0.261 1
1 1616 . 11 1 1 A 133 133 TYR CA C 133 58.334 56.386 1.948 1
1 1617 . 11 1 1 A 133 133 TYR HA H 133 3.879 4.245 -0.366 1
1 1618 . 11 1 1 A 133 133 TYR CB C 133 35.955 36.107 -0.152 1
1 1627 . 11 1 1 A 133 133 TYR C C 133 175.026 175.150 -0.124 1
1 1628 . 11 1 1 A 134 134 ARG N N 134 123.205 125.903 -2.698 1
1 1629 . 11 1 1 A 134 134 ARG H H 134 8.584 8.503 0.081 1
1 1630 . 11 1 1 A 134 134 ARG CA C 134 56.025 57.023 -0.998 1
1 1631 . 11 1 1 A 134 134 ARG HA H 134 5.043 4.512 0.531 1
1 1632 . 11 1 1 A 134 134 ARG CB C 134 32.734 30.718 2.016 1
1 1643 . 11 1 1 A 134 134 ARG C C 134 174.511 175.304 -0.793 1
1 1644 . 11 1 1 A 135 135 ILE N N 135 124.430 129.099 -4.669 1
1 1645 . 11 1 1 A 135 135 ILE H H 135 8.429 8.581 -0.152 1
1 1646 . 11 1 1 A 135 135 ILE CA C 135 61.078 60.261 0.817 1
1 1647 . 11 1 1 A 135 135 ILE HA H 135 4.797 4.758 0.039 1
1 1648 . 11 1 1 A 135 135 ILE CB C 135 39.875 37.748 2.127 1
1 1661 . 11 1 1 A 135 135 ILE C C 135 175.279 175.876 -0.597 1
1 1662 . 11 1 1 A 136 136 ILE N N 136 120.496 123.253 -2.757 1
1 1663 . 11 1 1 A 136 136 ILE H H 136 9.000 8.936 0.064 1
1 1664 . 11 1 1 A 136 136 ILE CA C 136 59.359 59.154 0.205 1
1 1665 . 11 1 1 A 136 136 ILE HA H 136 5.028 5.267 -0.239 1
1 1666 . 11 1 1 A 136 136 ILE CB C 136 42.170 40.847 1.323 1
1 1679 . 11 1 1 A 136 136 ILE C C 136 175.144 175.130 0.014 1
1 1680 . 11 1 1 A 137 137 ARG N N 137 122.183 123.841 -1.658 1
1 1681 . 11 1 1 A 137 137 ARG H H 137 8.535 8.741 -0.206 1
1 1682 . 11 1 1 A 137 137 ARG CA C 137 56.339 55.461 0.878 1
1 1683 . 11 1 1 A 137 137 ARG HA H 137 4.402 4.437 -0.035 1
1 1684 . 11 1 1 A 137 137 ARG CB C 137 30.696 31.579 -0.883 1
1 1695 . 11 1 1 A 137 137 ARG C C 137 176.646 177.487 -0.841 1
1 1696 . 11 1 1 A 138 138 ALA N N 138 126.694 126.758 -0.064 1
1 1697 . 11 1 1 A 138 138 ALA H H 138 8.353 8.406 -0.053 1
1 1698 . 11 1 1 A 138 138 ALA CA C 138 52.808 54.824 -2.016 1
1 1699 . 11 1 1 A 138 138 ALA HA H 138 4.134 3.958 0.176 1
1 1700 . 11 1 1 A 138 138 ALA CB C 138 19.536 18.182 1.354 1
1 1704 . 11 1 1 A 138 138 ALA C C 138 177.637 179.885 -2.248 1
1 1705 . 11 1 1 A 139 139 GLU N N 139 119.890 116.649 3.241 1
1 1706 . 11 1 1 A 139 139 GLU H H 139 8.615 8.052 0.563 1
1 1707 . 11 1 1 A 139 139 GLU CA C 139 56.586 59.286 -2.700 1
1 1708 . 11 1 1 A 139 139 GLU HA H 139 4.268 4.055 0.213 1
1 1709 . 11 1 1 A 139 139 GLU CB C 139 30.137 29.220 0.917 1
1 1715 . 11 1 1 A 139 139 GLU C C 139 176.488 179.108 -2.620 1
1 1716 . 11 1 1 A 140 140 LEU N N 140 123.350 120.640 2.710 1
1 1717 . 11 1 1 A 140 140 LEU H H 140 8.224 8.161 0.063 1
1 1718 . 11 1 1 A 140 140 LEU CA C 140 55.185 57.779 -2.594 1
1 1719 . 11 1 1 A 140 140 LEU HA H 140 4.339 3.907 0.432 1
1 1720 . 11 1 1 A 140 140 LEU CB C 140 42.294 41.781 0.513 1
1 1733 . 11 1 1 A 140 140 LEU C C 140 177.456 177.971 -0.515 1
1 1734 . 11 1 1 A 141 141 LYS N N 141 122.155 119.900 2.255 1
1 1735 . 11 1 1 A 141 141 LYS H H 141 8.239 7.225 1.014 1
1 1736 . 11 1 1 A 141 141 LYS CA C 141 56.480 57.398 -0.918 1
1 1737 . 11 1 1 A 141 141 LYS HA H 141 4.309 4.189 0.120 1
1 1738 . 11 1 1 A 141 141 LYS CB C 141 32.976 32.689 0.287 1
1 1750 . 11 1 1 A 141 141 LYS C C 141 176.734 175.305 1.429 1
1 1751 . 11 1 1 A 142 142 SER N N 142 116.816 123.049 -6.233 1
1 1752 . 11 1 1 A 142 142 SER H H 142 8.369 8.679 -0.310 1
1 1753 . 11 1 1 A 142 142 SER CA C 142 58.425 57.565 0.860 1
1 1754 . 11 1 1 A 142 142 SER HA H 142 4.529 4.980 -0.451 1
1 1755 . 11 1 1 A 142 142 SER CB C 142 63.836 67.591 -3.755 1
1 1758 . 11 1 1 A 142 142 SER C C 142 175.185 172.185 3.000 1
1 1759 . 11 1 1 A 143 143 THR N N 143 115.566 116.198 -0.632 1
1 1760 . 11 1 1 A 143 143 THR H H 143 8.235 8.781 -0.546 1
1 1761 . 11 1 1 A 143 143 THR CA C 143 61.999 59.962 2.037 1
1 1762 . 11 1 1 A 143 143 THR HA H 143 4.389 5.119 -0.730 1
1 1763 . 11 1 1 A 143 143 THR CB C 143 69.634 72.237 -2.603 1
1 1769 . 11 1 1 A 143 143 THR C C 143 174.937 172.144 2.793 1
1 1770 . 11 1 1 A 144 144 GLN N N 144 122.469 127.044 -4.575 1
1 1771 . 11 1 1 A 144 144 GLN H H 144 8.345 8.963 -0.618 1
1 1772 . 11 1 1 A 144 144 GLN CA C 144 56.480 54.188 2.292 1
1 1773 . 11 1 1 A 144 144 GLN HA H 144 4.307 5.323 -1.016 1
1 1774 . 11 1 1 A 144 144 GLN CB C 144 29.307 32.137 -2.830 1
1 1783 . 11 1 1 A 144 144 GLN C C 144 176.536 174.924 1.612 1
1 1784 . 11 1 1 A 145 145 GLY N N 145 110.021 112.288 -2.267 1
1 1785 . 11 1 1 A 145 145 GLY H H 145 8.461 8.411 0.050 1
1 1786 . 11 1 1 A 145 145 GLY CA C 145 45.355 46.094 -0.739 1
1 1787 . 11 1 1 A 145 145 GLY HA2 H 145 3.967 4.225 -0.258 1
1 1788 . 11 1 1 A 145 145 GLY HA3 H 145 3.967 4.225 -0.258 1
1 1789 . 11 1 1 A 145 145 GLY C C 145 174.123 173.393 0.730 1
1 1790 . 11 1 1 A 146 146 MET N N 146 119.836 118.072 1.764 1
1 1791 . 11 1 1 A 146 146 MET H H 146 8.197 8.530 -0.333 1
1 1792 . 11 1 1 A 146 146 MET CA C 146 55.594 56.626 -1.032 1
1 1793 . 11 1 1 A 146 146 MET HA H 146 4.538 4.069 0.469 1
1 1794 . 11 1 1 A 146 146 MET CB C 146 33.090 31.153 1.937 1
1 1804 . 11 1 1 A 146 146 MET C C 146 176.454 174.432 2.022 1
1 1805 . 11 1 1 A 147 147 THR N N 147 116.248 112.057 4.191 1
1 1806 . 11 1 1 A 147 147 THR H H 147 8.239 7.641 0.598 1
1 1807 . 11 1 1 A 147 147 THR CA C 147 61.959 61.078 0.881 1
1 1808 . 11 1 1 A 147 147 THR HA H 147 4.318 4.765 -0.447 1
1 1809 . 11 1 1 A 147 147 THR CB C 147 69.875 71.597 -1.722 1
1 1815 . 11 1 1 A 147 147 THR C C 147 174.141 173.680 0.461 1
1 1816 . 11 1 1 A 148 148 LYS N N 148 125.399 125.406 -0.007 1
1 1817 . 11 1 1 A 148 148 LYS H H 148 8.387 9.129 -0.742 1
1 1818 . 11 1 1 A 148 148 LYS CA C 148 54.186 53.240 0.946 1
1 1819 . 11 1 1 A 148 148 LYS HA H 148 4.617 5.041 -0.424 1
1 1820 . 11 1 1 A 148 148 LYS CB C 148 32.651 35.097 -2.446 1
1 1832 . 11 1 1 A 148 148 LYS C C 148 174.388 174.344 0.044 1
1 1833 . 11 1 1 A 149 149 PRO CA C 149 63.178 62.541 0.637 1
1 1834 . 11 1 1 A 149 149 PRO HA H 149 4.406 4.892 -0.486 1
1 1835 . 11 1 1 A 149 149 PRO CB C 149 32.164 32.462 -0.298 1
1 1844 . 11 1 1 A 150 150 HIS CA C 150 56.264 55.440 0.824 1
1 1845 . 11 1 1 A 150 150 HIS HA H 150 4.626 5.059 -0.433 1
1 1846 . 11 1 1 A 150 150 HIS CB C 150 30.574 33.642 -3.068 1
1 1852 . 11 1 1 A 151 151 SER CA C 151 58.018 57.976 0.042 1
1 1853 . 11 1 1 A 151 151 SER HA H 151 4.475 4.236 0.239 1
1 1854 . 11 1 1 A 151 151 SER CB C 151 64.139 63.325 0.814 1
1 1856 . 11 1 1 A 151 151 SER C C 151 174.253 174.473 -0.220 1
1 1857 . 11 1 1 A 152 152 GLY N N 152 110.964 114.180 -3.216 1
1 1858 . 11 1 1 A 152 152 GLY H H 152 8.276 8.703 -0.427 1
1 1859 . 11 1 1 A 152 152 GLY CA C 152 44.637 44.059 0.578 1
1 1860 . 11 1 1 A 152 152 GLY HA2 H 152 4.120 4.056 0.064 1
1 1861 . 11 1 1 A 152 152 GLY HA3 H 152 4.120 4.074 0.046 1
1 1862 . 11 1 1 A 152 152 GLY C C 152 171.668 172.700 -1.032 1
1 1863 . 11 1 1 A 153 153 PRO CA C 153 63.147 62.869 0.278 1
1 1864 . 11 1 1 A 153 153 PRO HA H 153 4.425 4.559 -0.134 1
1 1865 . 11 1 1 A 153 153 PRO CB C 153 32.149 32.593 -0.444 1
1 1874 . 11 1 1 A 153 153 PRO C C 153 176.656 175.033 1.623 1
1 1875 . 11 1 1 A 154 154 ASP N N 154 120.420 119.271 1.149 1
1 1876 . 11 1 1 A 154 154 ASP H H 154 8.463 8.468 -0.005 1
1 1877 . 11 1 1 A 154 154 ASP CA C 154 54.429 52.603 1.826 1
1 1878 . 11 1 1 A 154 154 ASP HA H 154 4.575 5.034 -0.459 1
1 1879 . 11 1 1 A 154 154 ASP CB C 154 40.979 44.142 -3.163 1
1 1882 . 11 1 1 A 154 154 ASP C C 154 176.163 176.578 -0.415 1
1 1883 . 11 1 1 A 155 155 LEU N N 155 123.563 125.312 -1.749 1
1 1884 . 11 1 1 A 155 155 LEU H H 155 8.266 8.458 -0.192 1
1 1885 . 11 1 1 A 155 155 LEU CA C 155 55.022 57.490 -2.468 1
1 1886 . 11 1 1 A 155 155 LEU HA H 155 4.358 4.263 0.095 1
1 1887 . 11 1 1 A 155 155 LEU CB C 155 42.157 42.766 -0.609 1
1 1900 . 11 1 1 A 155 155 LEU C C 155 176.990 177.119 -0.129 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.655 60.795 -2.140 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.501 4.331 0.170 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.644 63.331 0.313 1
1 6 . 12 1 1 A 6 6 SER C C 6 175.063 174.303 0.760 1
1 7 . 12 1 1 A 7 7 GLY N N 7 111.113 108.484 2.629 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.473 7.790 0.683 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.373 44.707 0.666 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 3.967 4.139 -0.172 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 3.967 4.139 -0.172 1
1 12 . 12 1 1 A 7 7 GLY C C 7 173.934 171.361 2.573 1
1 13 . 12 1 1 A 8 8 ALA N N 8 123.788 124.078 -0.290 1
1 14 . 12 1 1 A 8 8 ALA H H 8 8.197 8.483 -0.286 1
1 15 . 12 1 1 A 8 8 ALA CA C 8 52.548 51.272 1.276 1
1 16 . 12 1 1 A 8 8 ALA HA H 8 4.342 4.838 -0.496 1
1 17 . 12 1 1 A 8 8 ALA CB C 8 19.403 19.663 -0.260 1
1 21 . 12 1 1 A 8 8 ALA C C 8 177.902 176.128 1.774 1
1 22 . 12 1 1 A 9 9 GLU N N 9 120.004 125.312 -5.308 1
1 23 . 12 1 1 A 9 9 GLU H H 9 8.524 9.159 -0.635 1
1 24 . 12 1 1 A 9 9 GLU CA C 9 56.763 55.182 1.581 1
1 25 . 12 1 1 A 9 9 GLU HA H 9 4.308 4.807 -0.499 1
1 26 . 12 1 1 A 9 9 GLU CB C 9 30.161 30.221 -0.060 1
1 32 . 12 1 1 A 9 9 GLU C C 9 176.646 175.359 1.287 1
1 33 . 12 1 1 A 10 10 SER N N 10 116.268 120.310 -4.042 1
1 34 . 12 1 1 A 10 10 SER H H 10 8.305 8.718 -0.413 1
1 35 . 12 1 1 A 10 10 SER CA C 10 58.426 57.464 0.962 1
1 36 . 12 1 1 A 10 10 SER HA H 10 4.429 5.057 -0.628 1
1 37 . 12 1 1 A 10 10 SER CB C 10 63.933 63.837 0.096 1
1 40 . 12 1 1 A 10 10 SER C C 10 174.267 174.208 0.059 1
1 41 . 12 1 1 A 11 11 GLU N N 11 122.435 126.024 -3.589 1
1 42 . 12 1 1 A 11 11 GLU H H 11 8.368 8.589 -0.221 1
1 43 . 12 1 1 A 11 11 GLU CA C 11 56.233 55.260 0.973 1
1 44 . 12 1 1 A 11 11 GLU HA H 11 4.367 4.629 -0.262 1
1 45 . 12 1 1 A 11 11 GLU CB C 11 30.692 30.978 -0.286 1
1 51 . 12 1 1 A 11 11 GLU C C 11 175.800 175.808 -0.008 1
1 52 . 12 1 1 A 12 12 SER N N 12 116.596 117.190 -0.594 1
1 53 . 12 1 1 A 12 12 SER H H 12 8.299 8.566 -0.267 1
1 54 . 12 1 1 A 12 12 SER CA C 12 58.355 57.009 1.346 1
1 55 . 12 1 1 A 12 12 SER HA H 12 4.457 4.973 -0.516 1
1 56 . 12 1 1 A 12 12 SER CB C 12 64.573 65.438 -0.865 1
1 59 . 12 1 1 A 12 12 SER C C 12 173.309 172.789 0.520 1
1 60 . 12 1 1 A 13 13 PHE N N 13 121.293 119.230 2.063 1
1 61 . 12 1 1 A 13 13 PHE H H 13 8.346 8.922 -0.576 1
1 62 . 12 1 1 A 13 13 PHE CA C 13 56.851 56.100 0.751 1
1 63 . 12 1 1 A 13 13 PHE HA H 13 5.384 5.354 0.030 1
1 64 . 12 1 1 A 13 13 PHE CB C 13 42.542 43.864 -1.322 1
1 77 . 12 1 1 A 13 13 PHE C C 13 174.500 174.582 -0.082 1
1 78 . 12 1 1 A 14 14 VAL N N 14 116.020 116.200 -0.180 1
1 79 . 12 1 1 A 14 14 VAL H H 14 9.313 9.113 0.200 1
1 80 . 12 1 1 A 14 14 VAL CA C 14 60.141 59.517 0.624 1
1 81 . 12 1 1 A 14 14 VAL HA H 14 4.455 4.913 -0.458 1
1 82 . 12 1 1 A 14 14 VAL CB C 14 36.318 36.410 -0.092 1
1 92 . 12 1 1 A 14 14 VAL C C 14 174.668 174.307 0.361 1
1 93 . 12 1 1 A 15 15 LEU N N 15 121.725 121.202 0.523 1
1 94 . 12 1 1 A 15 15 LEU H H 15 8.476 8.630 -0.154 1
1 95 . 12 1 1 A 15 15 LEU CA C 15 54.800 52.796 2.004 1
1 96 . 12 1 1 A 15 15 LEU HA H 15 4.403 4.896 -0.493 1
1 97 . 12 1 1 A 15 15 LEU CB C 15 39.816 43.650 -3.834 1
1 110 . 12 1 1 A 15 15 LEU C C 15 177.001 176.089 0.912 1
1 111 . 12 1 1 A 16 16 ASP N N 16 126.576 124.578 1.998 1
1 112 . 12 1 1 A 16 16 ASP H H 16 8.766 8.304 0.462 1
1 113 . 12 1 1 A 16 16 ASP CA C 16 52.828 53.299 -0.471 1
1 114 . 12 1 1 A 16 16 ASP HA H 16 5.081 4.803 0.278 1
1 115 . 12 1 1 A 16 16 ASP CB C 16 42.268 41.288 0.980 1
1 118 . 12 1 1 A 16 16 ASP C C 16 174.640 175.510 -0.870 1
1 119 . 12 1 1 A 17 17 PHE N N 17 112.958 117.898 -4.940 1
1 120 . 12 1 1 A 17 17 PHE H H 17 6.915 7.038 -0.123 1
1 121 . 12 1 1 A 17 17 PHE CA C 17 55.489 56.114 -0.625 1
1 122 . 12 1 1 A 17 17 PHE HA H 17 4.938 5.229 -0.291 1
1 123 . 12 1 1 A 17 17 PHE CB C 17 39.154 41.770 -2.616 1
1 136 . 12 1 1 A 17 17 PHE C C 17 173.746 173.467 0.279 1
1 137 . 12 1 1 A 18 18 SER N N 18 114.977 117.652 -2.675 1
1 138 . 12 1 1 A 18 18 SER H H 18 8.569 8.998 -0.429 1
1 139 . 12 1 1 A 18 18 SER CA C 18 57.046 58.493 -1.447 1
1 140 . 12 1 1 A 18 18 SER HA H 18 4.670 4.686 -0.016 1
1 141 . 12 1 1 A 18 18 SER CB C 18 63.974 63.803 0.171 1
1 144 . 12 1 1 A 18 18 SER C C 18 175.437 175.097 0.340 1
1 145 . 12 1 1 A 19 19 GLN N N 19 123.586 123.160 0.426 1
1 146 . 12 1 1 A 19 19 GLN H H 19 9.033 8.591 0.442 1
1 147 . 12 1 1 A 19 19 GLN CA C 19 54.023 55.045 -1.022 1
1 148 . 12 1 1 A 19 19 GLN HA H 19 4.558 4.508 0.050 1
1 149 . 12 1 1 A 19 19 GLN CB C 19 27.994 28.559 -0.565 1
1 158 . 12 1 1 A 19 19 GLN C C 19 177.642 176.252 1.390 1
1 159 . 12 1 1 A 20 20 PRO CA C 20 65.836 65.459 0.377 1
1 160 . 12 1 1 A 20 20 PRO HA H 20 4.370 4.505 -0.135 1
1 161 . 12 1 1 A 20 20 PRO CB C 20 32.556 32.219 0.337 1
1 170 . 12 1 1 A 20 20 PRO C C 20 178.374 177.961 0.413 1
1 171 . 12 1 1 A 21 21 SER N N 21 104.386 112.030 -7.644 1
1 172 . 12 1 1 A 21 21 SER H H 21 7.216 8.018 -0.802 1
1 173 . 12 1 1 A 21 21 SER CA C 21 58.886 61.249 -2.363 1
1 174 . 12 1 1 A 21 21 SER HA H 21 3.271 3.768 -0.497 1
1 175 . 12 1 1 A 21 21 SER CB C 21 62.401 62.880 -0.479 1
1 178 . 12 1 1 A 21 21 SER C C 21 174.423 176.871 -2.448 1
1 179 . 12 1 1 A 22 22 ALA N N 22 123.008 122.235 0.773 1
1 180 . 12 1 1 A 22 22 ALA H H 22 7.700 8.111 -0.411 1
1 181 . 12 1 1 A 22 22 ALA CA C 22 53.968 55.643 -1.675 1
1 182 . 12 1 1 A 22 22 ALA HA H 22 4.198 4.087 0.111 1
1 183 . 12 1 1 A 22 22 ALA CB C 22 18.504 19.125 -0.621 1
1 187 . 12 1 1 A 22 22 ALA C C 22 177.624 178.040 -0.416 1
1 188 . 12 1 1 A 23 23 ASP N N 23 117.789 117.666 0.123 1
1 189 . 12 1 1 A 23 23 ASP H H 23 7.080 8.167 -1.087 1
1 190 . 12 1 1 A 23 23 ASP CA C 23 52.151 53.489 -1.338 1
1 191 . 12 1 1 A 23 23 ASP HA H 23 4.893 4.945 -0.052 1
1 192 . 12 1 1 A 23 23 ASP CB C 23 40.592 40.348 0.244 1
1 195 . 12 1 1 A 23 23 ASP C C 23 175.032 176.061 -1.029 1
1 196 . 12 1 1 A 24 24 TYR N N 24 123.295 126.690 -3.395 1
1 197 . 12 1 1 A 24 24 TYR H H 24 8.217 8.991 -0.774 1
1 198 . 12 1 1 A 24 24 TYR CA C 24 61.711 61.566 0.145 1
1 199 . 12 1 1 A 24 24 TYR HA H 24 4.196 4.059 0.137 1
1 200 . 12 1 1 A 24 24 TYR CB C 24 38.456 38.931 -0.475 1
1 211 . 12 1 1 A 24 24 TYR C C 24 177.434 177.392 0.042 1
1 212 . 12 1 1 A 25 25 LEU N N 25 119.429 121.119 -1.690 1
1 213 . 12 1 1 A 25 25 LEU H H 25 8.074 8.373 -0.299 1
1 214 . 12 1 1 A 25 25 LEU CA C 25 57.691 58.392 -0.701 1
1 215 . 12 1 1 A 25 25 LEU HA H 25 3.967 3.891 0.076 1
1 216 . 12 1 1 A 25 25 LEU CB C 25 41.388 41.549 -0.161 1
1 229 . 12 1 1 A 25 25 LEU C C 25 178.768 178.345 0.423 1
1 230 . 12 1 1 A 26 26 ASP N N 26 119.881 118.789 1.092 1
1 231 . 12 1 1 A 26 26 ASP H H 26 7.561 8.283 -0.722 1
1 232 . 12 1 1 A 26 26 ASP CA C 26 57.625 56.765 0.860 1
1 233 . 12 1 1 A 26 26 ASP HA H 26 4.367 4.348 0.019 1
1 234 . 12 1 1 A 26 26 ASP CB C 26 42.955 41.342 1.613 1
1 237 . 12 1 1 A 26 26 ASP C C 26 177.657 178.366 -0.709 1
1 238 . 12 1 1 A 27 27 PHE N N 27 118.946 120.503 -1.557 1
1 239 . 12 1 1 A 27 27 PHE H H 27 8.750 8.068 0.682 1
1 240 . 12 1 1 A 27 27 PHE CA C 27 61.323 61.117 0.206 1
1 241 . 12 1 1 A 27 27 PHE HA H 27 4.088 4.125 -0.037 1
1 242 . 12 1 1 A 27 27 PHE CB C 27 39.606 39.542 0.064 1
1 255 . 12 1 1 A 27 27 PHE C C 27 176.662 177.199 -0.537 1
1 256 . 12 1 1 A 28 28 ARG N N 28 116.744 118.525 -1.781 1
1 257 . 12 1 1 A 28 28 ARG H H 28 8.079 8.378 -0.299 1
1 258 . 12 1 1 A 28 28 ARG CA C 28 59.051 58.776 0.275 1
1 259 . 12 1 1 A 28 28 ARG HA H 28 3.590 4.054 -0.464 1
1 260 . 12 1 1 A 28 28 ARG CB C 28 29.516 29.729 -0.213 1
1 269 . 12 1 1 A 28 28 ARG C C 28 179.306 178.186 1.120 1
1 270 . 12 1 1 A 29 29 ASN N N 29 119.381 117.766 1.615 1
1 271 . 12 1 1 A 29 29 ASN H H 29 8.106 8.283 -0.177 1
1 272 . 12 1 1 A 29 29 ASN CA C 29 55.861 55.984 -0.123 1
1 273 . 12 1 1 A 29 29 ASN HA H 29 4.361 4.400 -0.039 1
1 274 . 12 1 1 A 29 29 ASN CB C 29 37.622 37.685 -0.063 1
1 280 . 12 1 1 A 29 29 ASN C C 29 178.555 178.481 0.074 1
1 281 . 12 1 1 A 30 30 ARG N N 30 123.244 119.781 3.463 1
1 282 . 12 1 1 A 30 30 ARG H H 30 8.640 7.736 0.904 1
1 283 . 12 1 1 A 30 30 ARG CA C 30 59.708 58.717 0.991 1
1 284 . 12 1 1 A 30 30 ARG HA H 30 3.912 3.942 -0.030 1
1 285 . 12 1 1 A 30 30 ARG CB C 30 30.910 29.991 0.919 1
1 296 . 12 1 1 A 30 30 ARG C C 30 178.651 178.839 -0.188 1
1 297 . 12 1 1 A 31 31 LEU N N 31 119.911 121.098 -1.187 1
1 298 . 12 1 1 A 31 31 LEU H H 31 7.988 7.567 0.421 1
1 299 . 12 1 1 A 31 31 LEU CA C 31 58.049 56.647 1.402 1
1 300 . 12 1 1 A 31 31 LEU HA H 31 3.409 3.928 -0.519 1
1 301 . 12 1 1 A 31 31 LEU CB C 31 41.342 41.294 0.048 1
1 314 . 12 1 1 A 31 31 LEU C C 31 178.698 177.895 0.803 1
1 315 . 12 1 1 A 32 32 GLN N N 32 114.904 117.962 -3.058 1
1 316 . 12 1 1 A 32 32 GLN H H 32 7.416 7.894 -0.478 1
1 317 . 12 1 1 A 32 32 GLN CA C 32 58.019 57.020 0.999 1
1 318 . 12 1 1 A 32 32 GLN HA H 32 3.891 4.284 -0.393 1
1 319 . 12 1 1 A 32 32 GLN CB C 32 28.679 29.241 -0.562 1
1 328 . 12 1 1 A 32 32 GLN C C 32 176.457 176.834 -0.377 1
1 329 . 12 1 1 A 33 33 ALA N N 33 119.088 120.610 -1.522 1
1 330 . 12 1 1 A 33 33 ALA H H 33 7.791 7.808 -0.017 1
1 331 . 12 1 1 A 33 33 ALA CA C 33 54.057 52.905 1.152 1
1 332 . 12 1 1 A 33 33 ALA HA H 33 4.099 4.084 0.015 1
1 333 . 12 1 1 A 33 33 ALA CB C 33 19.921 19.192 0.729 1
1 337 . 12 1 1 A 33 33 ALA C C 33 178.303 177.264 1.039 1
1 338 . 12 1 1 A 34 34 ASP N N 34 115.377 117.388 -2.011 1
1 339 . 12 1 1 A 34 34 ASP H H 34 8.662 7.959 0.703 1
1 340 . 12 1 1 A 34 34 ASP CA C 34 55.153 53.123 2.030 1
1 341 . 12 1 1 A 34 34 ASP HA H 34 4.698 4.544 0.154 1
1 342 . 12 1 1 A 34 34 ASP CB C 34 41.976 41.382 0.594 1
1 345 . 12 1 1 A 34 34 ASP C C 34 177.531 175.438 2.093 1
1 346 . 12 1 1 A 35 35 HIS N N 35 108.110 116.213 -8.103 1
1 347 . 12 1 1 A 35 35 HIS H H 35 7.018 7.677 -0.659 1
1 348 . 12 1 1 A 35 35 HIS CA C 35 58.336 56.859 1.477 1
1 349 . 12 1 1 A 35 35 HIS HA H 35 4.543 4.405 0.138 1
1 350 . 12 1 1 A 35 35 HIS CB C 35 26.472 26.546 -0.074 1
1 357 . 12 1 1 A 35 35 HIS C C 35 171.507 173.408 -1.901 1
1 358 . 12 1 1 A 36 36 VAL N N 36 115.529 116.652 -1.123 1
1 359 . 12 1 1 A 36 36 VAL H H 36 7.065 6.954 0.111 1
1 360 . 12 1 1 A 36 36 VAL CA C 36 58.549 60.639 -2.090 1
1 361 . 12 1 1 A 36 36 VAL HA H 36 4.867 4.242 0.625 1
1 362 . 12 1 1 A 36 36 VAL CB C 36 33.135 34.275 -1.140 1
1 372 . 12 1 1 A 36 36 VAL C C 36 171.953 173.659 -1.706 1
1 373 . 12 1 1 A 37 37 CYS N N 37 124.685 125.229 -0.544 1
1 374 . 12 1 1 A 37 37 CYS H H 37 8.694 8.266 0.428 1
1 375 . 12 1 1 A 37 37 CYS CA C 37 59.979 58.532 1.447 1
1 376 . 12 1 1 A 37 37 CYS HA H 37 4.594 4.801 -0.207 1
1 377 . 12 1 1 A 37 37 CYS CB C 37 29.016 30.883 -1.867 1
1 380 . 12 1 1 A 37 37 CYS C C 37 173.445 173.301 0.144 1
1 381 . 12 1 1 A 38 38 LEU N N 38 132.291 128.618 3.673 1
1 382 . 12 1 1 A 38 38 LEU H H 38 9.625 8.682 0.943 1
1 383 . 12 1 1 A 38 38 LEU CA C 38 57.958 56.485 1.473 1
1 384 . 12 1 1 A 38 38 LEU HA H 38 4.167 4.379 -0.212 1
1 385 . 12 1 1 A 38 38 LEU CB C 38 42.189 42.876 -0.687 1
1 398 . 12 1 1 A 38 38 LEU C C 38 173.188 177.537 -4.349 1
1 399 . 12 1 1 A 39 39 GLU N N 39 127.988 127.909 0.079 1
1 400 . 12 1 1 A 39 39 GLU H H 39 9.267 9.347 -0.080 1
1 401 . 12 1 1 A 39 39 GLU CA C 39 57.435 58.745 -1.310 1
1 402 . 12 1 1 A 39 39 GLU HA H 39 4.521 4.425 0.096 1
1 403 . 12 1 1 A 39 39 GLU CB C 39 31.891 30.375 1.516 1
1 409 . 12 1 1 A 39 39 GLU C C 39 175.300 176.383 -1.083 1
1 410 . 12 1 1 A 40 40 ASN N N 40 115.109 113.062 2.047 1
1 411 . 12 1 1 A 40 40 ASN H H 40 7.757 7.406 0.351 1
1 412 . 12 1 1 A 40 40 ASN CA C 40 52.151 52.011 0.140 1
1 413 . 12 1 1 A 40 40 ASN HA H 40 5.353 5.220 0.133 1
1 414 . 12 1 1 A 40 40 ASN CB C 40 43.324 42.015 1.309 1
1 420 . 12 1 1 A 40 40 ASN C C 40 173.918 173.161 0.757 1
1 421 . 12 1 1 A 41 41 CYS N N 41 120.861 120.122 0.739 1
1 422 . 12 1 1 A 41 41 CYS H H 41 9.646 8.992 0.654 1
1 423 . 12 1 1 A 41 41 CYS CA C 41 58.934 57.222 1.712 1
1 424 . 12 1 1 A 41 41 CYS HA H 41 5.167 5.235 -0.068 1
1 425 . 12 1 1 A 41 41 CYS CB C 41 30.293 30.681 -0.388 1
1 428 . 12 1 1 A 41 41 CYS C C 41 171.600 173.574 -1.974 1
1 429 . 12 1 1 A 42 42 VAL N N 42 126.721 122.935 3.786 1
1 430 . 12 1 1 A 42 42 VAL H H 42 9.532 9.139 0.393 1
1 431 . 12 1 1 A 42 42 VAL CA C 42 60.463 59.325 1.138 1
1 432 . 12 1 1 A 42 42 VAL HA H 42 4.454 5.072 -0.618 1
1 433 . 12 1 1 A 42 42 VAL CB C 42 35.496 34.908 0.588 1
1 443 . 12 1 1 A 42 42 VAL C C 42 173.645 174.044 -0.399 1
1 444 . 12 1 1 A 43 43 LEU N N 43 127.183 123.437 3.746 1
1 445 . 12 1 1 A 43 43 LEU H H 43 8.597 8.742 -0.145 1
1 446 . 12 1 1 A 43 43 LEU CA C 43 54.209 53.523 0.686 1
1 447 . 12 1 1 A 43 43 LEU HA H 43 5.050 5.288 -0.238 1
1 448 . 12 1 1 A 43 43 LEU CB C 43 43.450 46.138 -2.688 1
1 461 . 12 1 1 A 43 43 LEU C C 43 176.151 174.867 1.284 1
1 462 . 12 1 1 A 44 44 LYS N N 44 127.086 124.601 2.485 1
1 463 . 12 1 1 A 44 44 LYS H H 44 8.726 9.097 -0.371 1
1 464 . 12 1 1 A 44 44 LYS CA C 44 55.033 54.186 0.847 1
1 465 . 12 1 1 A 44 44 LYS HA H 44 4.552 4.879 -0.327 1
1 466 . 12 1 1 A 44 44 LYS CB C 44 34.147 36.214 -2.067 1
1 478 . 12 1 1 A 44 44 LYS C C 44 175.176 176.145 -0.969 1
1 479 . 12 1 1 A 45 45 ASP N N 45 123.045 120.418 2.627 1
1 480 . 12 1 1 A 45 45 ASP H H 45 8.876 8.712 0.164 1
1 481 . 12 1 1 A 45 45 ASP CA C 45 56.515 55.126 1.389 1
1 482 . 12 1 1 A 45 45 ASP HA H 45 4.321 4.335 -0.014 1
1 483 . 12 1 1 A 45 45 ASP CB C 45 39.782 40.529 -0.747 1
1 486 . 12 1 1 A 45 45 ASP C C 45 175.339 176.506 -1.167 1
1 487 . 12 1 1 A 46 46 LYS N N 46 118.201 120.244 -2.043 1
1 488 . 12 1 1 A 46 46 LYS H H 46 8.620 9.171 -0.551 1
1 489 . 12 1 1 A 46 46 LYS CA C 46 56.158 57.244 -1.086 1
1 490 . 12 1 1 A 46 46 LYS HA H 46 4.079 3.848 0.231 1
1 491 . 12 1 1 A 46 46 LYS CB C 46 30.929 30.023 0.906 1
1 503 . 12 1 1 A 46 46 LYS C C 46 174.615 175.101 -0.486 1
1 504 . 12 1 1 A 47 47 ALA N N 47 121.283 117.760 3.523 1
1 505 . 12 1 1 A 47 47 ALA H H 47 7.611 7.238 0.373 1
1 506 . 12 1 1 A 47 47 ALA CA C 47 51.809 51.605 0.204 1
1 507 . 12 1 1 A 47 47 ALA HA H 47 5.105 4.850 0.255 1
1 508 . 12 1 1 A 47 47 ALA CB C 47 22.739 22.984 -0.245 1
1 512 . 12 1 1 A 47 47 ALA C C 47 175.508 175.145 0.363 1
1 513 . 12 1 1 A 48 48 ILE N N 48 114.639 114.528 0.111 1
1 514 . 12 1 1 A 48 48 ILE H H 48 8.819 8.415 0.404 1
1 515 . 12 1 1 A 48 48 ILE CA C 48 59.017 59.200 -0.183 1
1 516 . 12 1 1 A 48 48 ILE HA H 48 5.230 5.135 0.095 1
1 517 . 12 1 1 A 48 48 ILE CB C 48 41.811 42.529 -0.718 1
1 530 . 12 1 1 A 48 48 ILE C C 48 172.954 174.273 -1.319 1
1 531 . 12 1 1 A 49 49 ALA N N 49 126.155 122.652 3.503 1
1 532 . 12 1 1 A 49 49 ALA H H 49 8.652 8.280 0.372 1
1 533 . 12 1 1 A 49 49 ALA CA C 49 50.095 51.160 -1.065 1
1 534 . 12 1 1 A 49 49 ALA HA H 49 4.769 4.982 -0.213 1
1 535 . 12 1 1 A 49 49 ALA CB C 49 22.651 22.419 0.232 1
1 539 . 12 1 1 A 49 49 ALA C C 49 175.812 175.628 0.184 1
1 540 . 12 1 1 A 50 50 GLY N N 50 105.980 107.399 -1.419 1
1 541 . 12 1 1 A 50 50 GLY H H 50 6.754 6.978 -0.224 1
1 542 . 12 1 1 A 50 50 GLY CA C 50 46.134 44.874 1.260 1
1 543 . 12 1 1 A 50 50 GLY HA2 H 50 3.803 3.784 0.019 1
1 544 . 12 1 1 A 50 50 GLY HA3 H 50 4.077 4.044 0.033 1
1 545 . 12 1 1 A 50 50 GLY C C 50 172.510 172.196 0.314 1
1 546 . 12 1 1 A 51 51 THR N N 51 108.648 110.926 -2.278 1
1 547 . 12 1 1 A 51 51 THR H H 51 8.556 8.816 -0.260 1
1 548 . 12 1 1 A 51 51 THR CA C 51 59.116 60.041 -0.925 1
1 549 . 12 1 1 A 51 51 THR HA H 51 5.588 5.773 -0.185 1
1 550 . 12 1 1 A 51 51 THR CB C 51 72.737 71.131 1.606 1
1 556 . 12 1 1 A 51 51 THR C C 51 174.087 173.709 0.378 1
1 557 . 12 1 1 A 52 52 VAL N N 52 122.025 125.586 -3.561 1
1 558 . 12 1 1 A 52 52 VAL H H 52 9.746 9.179 0.567 1
1 559 . 12 1 1 A 52 52 VAL CA C 52 61.371 61.152 0.219 1
1 560 . 12 1 1 A 52 52 VAL HA H 52 4.463 4.693 -0.230 1
1 561 . 12 1 1 A 52 52 VAL CB C 52 36.986 33.858 3.128 1
1 571 . 12 1 1 A 52 52 VAL C C 52 174.687 174.438 0.249 1
1 572 . 12 1 1 A 53 53 LYS N N 53 125.115 128.246 -3.131 1
1 573 . 12 1 1 A 53 53 LYS H H 53 8.567 8.807 -0.240 1
1 574 . 12 1 1 A 53 53 LYS CA C 53 53.668 54.962 -1.294 1
1 575 . 12 1 1 A 53 53 LYS HA H 53 5.599 5.200 0.399 1
1 576 . 12 1 1 A 53 53 LYS CB C 53 37.855 34.749 3.106 1
1 588 . 12 1 1 A 53 53 LYS C C 53 174.697 175.601 -0.904 1
1 589 . 12 1 1 A 54 54 VAL N N 54 110.661 118.776 -8.115 1
1 590 . 12 1 1 A 54 54 VAL H H 54 8.498 8.917 -0.419 1
1 591 . 12 1 1 A 54 54 VAL CA C 54 57.682 58.598 -0.916 1
1 592 . 12 1 1 A 54 54 VAL HA H 54 4.825 4.671 0.154 1
1 593 . 12 1 1 A 54 54 VAL CB C 54 34.634 35.512 -0.878 1
1 603 . 12 1 1 A 54 54 VAL C C 54 176.105 174.751 1.354 1
1 604 . 12 1 1 A 55 55 GLN N N 55 119.414 120.024 -0.610 1
1 605 . 12 1 1 A 55 55 GLN H H 55 7.924 8.422 -0.498 1
1 606 . 12 1 1 A 55 55 GLN CA C 55 56.023 54.758 1.265 1
1 607 . 12 1 1 A 55 55 GLN HA H 55 4.456 4.774 -0.318 1
1 608 . 12 1 1 A 55 55 GLN CB C 55 30.216 30.774 -0.558 1
1 617 . 12 1 1 A 55 55 GLN C C 55 176.800 177.116 -0.316 1
1 618 . 12 1 1 A 56 56 ASN N N 56 125.676 121.087 4.589 1
1 619 . 12 1 1 A 56 56 ASN H H 56 8.837 8.975 -0.138 1
1 620 . 12 1 1 A 56 56 ASN CA C 56 53.190 52.909 0.281 1
1 621 . 12 1 1 A 56 56 ASN HA H 56 4.575 4.844 -0.269 1
1 622 . 12 1 1 A 56 56 ASN CB C 56 36.855 37.826 -0.971 1
1 628 . 12 1 1 A 56 56 ASN C C 56 174.747 175.713 -0.966 1
1 629 . 12 1 1 A 57 57 LEU N N 57 124.779 123.170 1.609 1
1 630 . 12 1 1 A 57 57 LEU H H 57 7.284 8.051 -0.767 1
1 631 . 12 1 1 A 57 57 LEU CA C 57 55.224 57.758 -2.534 1
1 632 . 12 1 1 A 57 57 LEU HA H 57 4.326 4.067 0.259 1
1 633 . 12 1 1 A 57 57 LEU CB C 57 43.634 42.138 1.496 1
1 646 . 12 1 1 A 57 57 LEU C C 57 176.186 177.053 -0.867 1
1 647 . 12 1 1 A 58 58 ALA N N 58 119.342 119.819 -0.477 1
1 648 . 12 1 1 A 58 58 ALA H H 58 7.724 7.974 -0.250 1
1 649 . 12 1 1 A 58 58 ALA CA C 58 51.687 50.514 1.173 1
1 650 . 12 1 1 A 58 58 ALA HA H 58 4.343 4.730 -0.387 1
1 651 . 12 1 1 A 58 58 ALA CB C 58 21.122 21.569 -0.447 1
1 655 . 12 1 1 A 58 58 ALA C C 58 175.847 177.562 -1.715 1
1 656 . 12 1 1 A 59 59 PHE N N 59 118.235 119.737 -1.502 1
1 657 . 12 1 1 A 59 59 PHE H H 59 8.231 9.074 -0.843 1
1 658 . 12 1 1 A 59 59 PHE CA C 59 60.105 62.148 -2.043 1
1 659 . 12 1 1 A 59 59 PHE HA H 59 4.428 4.073 0.355 1
1 660 . 12 1 1 A 59 59 PHE CB C 59 40.386 39.622 0.764 1
1 673 . 12 1 1 A 59 59 PHE C C 59 176.670 175.443 1.227 1
1 674 . 12 1 1 A 60 60 GLU N N 60 120.295 117.576 2.719 1
1 675 . 12 1 1 A 60 60 GLU H H 60 8.482 8.080 0.402 1
1 676 . 12 1 1 A 60 60 GLU CA C 60 57.134 56.294 0.840 1
1 677 . 12 1 1 A 60 60 GLU HA H 60 4.306 4.794 -0.488 1
1 678 . 12 1 1 A 60 60 GLU CB C 60 29.569 31.114 -1.545 1
1 684 . 12 1 1 A 60 60 GLU C C 60 175.584 176.062 -0.478 1
1 685 . 12 1 1 A 61 61 LYS N N 61 123.512 122.009 1.503 1
1 686 . 12 1 1 A 61 61 LYS H H 61 8.377 8.683 -0.306 1
1 687 . 12 1 1 A 61 61 LYS CA C 61 55.939 54.509 1.430 1
1 688 . 12 1 1 A 61 61 LYS HA H 61 5.038 4.880 0.158 1
1 689 . 12 1 1 A 61 61 LYS CB C 61 37.890 37.102 0.788 1
1 701 . 12 1 1 A 61 61 LYS C C 61 175.510 175.886 -0.376 1
1 702 . 12 1 1 A 62 62 THR N N 62 117.107 116.073 1.034 1
1 703 . 12 1 1 A 62 62 THR H H 62 8.285 8.156 0.129 1
1 704 . 12 1 1 A 62 62 THR CA C 62 62.340 61.416 0.924 1
1 705 . 12 1 1 A 62 62 THR HA H 62 4.435 4.894 -0.459 1
1 706 . 12 1 1 A 62 62 THR CB C 62 71.605 70.980 0.625 1
1 712 . 12 1 1 A 62 62 THR C C 62 172.156 173.128 -0.972 1
1 713 . 12 1 1 A 63 63 VAL N N 63 128.402 127.612 0.790 1
1 714 . 12 1 1 A 63 63 VAL H H 63 8.719 8.826 -0.107 1
1 715 . 12 1 1 A 63 63 VAL CA C 63 60.707 60.942 -0.235 1
1 716 . 12 1 1 A 63 63 VAL HA H 63 4.755 4.701 0.054 1
1 717 . 12 1 1 A 63 63 VAL CB C 63 35.210 33.214 1.996 1
1 727 . 12 1 1 A 63 63 VAL C C 63 174.313 175.270 -0.957 1
1 728 . 12 1 1 A 64 64 LYS N N 64 123.629 125.782 -2.153 1
1 729 . 12 1 1 A 64 64 LYS H H 64 8.519 8.379 0.140 1
1 730 . 12 1 1 A 64 64 LYS CA C 64 54.850 54.962 -0.112 1
1 731 . 12 1 1 A 64 64 LYS HA H 64 4.997 5.353 -0.356 1
1 732 . 12 1 1 A 64 64 LYS CB C 64 37.343 35.921 1.422 1
1 744 . 12 1 1 A 64 64 LYS C C 64 173.348 175.271 -1.923 1
1 745 . 12 1 1 A 65 65 ILE N N 65 119.250 124.648 -5.398 1
1 746 . 12 1 1 A 65 65 ILE H H 65 8.637 8.655 -0.018 1
1 747 . 12 1 1 A 65 65 ILE CA C 65 57.894 60.290 -2.396 1
1 748 . 12 1 1 A 65 65 ILE HA H 65 4.451 4.779 -0.328 1
1 749 . 12 1 1 A 65 65 ILE CB C 65 37.638 39.461 -1.823 1
1 762 . 12 1 1 A 65 65 ILE C C 65 174.893 175.564 -0.671 1
1 763 . 12 1 1 A 66 66 ARG N N 66 130.193 124.974 5.219 1
1 764 . 12 1 1 A 66 66 ARG H H 66 9.244 9.004 0.240 1
1 765 . 12 1 1 A 66 66 ARG CA C 66 55.930 54.982 0.948 1
1 766 . 12 1 1 A 66 66 ARG HA H 66 5.440 5.375 0.065 1
1 767 . 12 1 1 A 66 66 ARG CB C 66 31.514 32.040 -0.526 1
1 778 . 12 1 1 A 66 66 ARG C C 66 174.161 174.732 -0.571 1
1 779 . 12 1 1 A 67 67 MET N N 67 128.046 124.664 3.382 1
1 780 . 12 1 1 A 67 67 MET H H 67 9.343 8.809 0.534 1
1 781 . 12 1 1 A 67 67 MET CA C 67 54.217 53.884 0.333 1
1 782 . 12 1 1 A 67 67 MET HA H 67 5.318 5.224 0.094 1
1 783 . 12 1 1 A 67 67 MET CB C 67 37.533 35.888 1.645 1
1 793 . 12 1 1 A 67 67 MET C C 67 173.432 174.198 -0.766 1
1 794 . 12 1 1 A 68 68 THR N N 68 118.404 119.254 -0.850 1
1 795 . 12 1 1 A 68 68 THR H H 68 8.474 8.051 0.423 1
1 796 . 12 1 1 A 68 68 THR CA C 68 58.903 59.349 -0.446 1
1 797 . 12 1 1 A 68 68 THR HA H 68 3.948 4.740 -0.792 1
1 798 . 12 1 1 A 68 68 THR CB C 68 71.091 70.964 0.127 1
1 804 . 12 1 1 A 68 68 THR C C 68 170.783 172.817 -2.034 1
1 805 . 12 1 1 A 69 69 PHE N N 69 124.029 123.871 0.158 1
1 806 . 12 1 1 A 69 69 PHE H H 69 8.910 8.985 -0.075 1
1 807 . 12 1 1 A 69 69 PHE CA C 69 55.772 57.306 -1.534 1
1 808 . 12 1 1 A 69 69 PHE HA H 69 4.783 4.700 0.083 1
1 809 . 12 1 1 A 69 69 PHE CB C 69 39.748 39.596 0.152 1
1 822 . 12 1 1 A 69 69 PHE C C 69 174.951 174.895 0.056 1
1 823 . 12 1 1 A 70 70 ASP N N 70 121.457 119.361 2.096 1
1 824 . 12 1 1 A 70 70 ASP H H 70 8.841 7.215 1.626 1
1 825 . 12 1 1 A 70 70 ASP CA C 70 52.288 52.687 -0.399 1
1 826 . 12 1 1 A 70 70 ASP HA H 70 4.661 4.954 -0.293 1
1 827 . 12 1 1 A 70 70 ASP CB C 70 40.026 41.781 -1.755 1
1 830 . 12 1 1 A 70 70 ASP C C 70 177.065 175.805 1.260 1
1 831 . 12 1 1 A 71 71 THR N N 71 114.661 116.605 -1.944 1
1 832 . 12 1 1 A 71 71 THR H H 71 8.724 8.708 0.016 1
1 833 . 12 1 1 A 71 71 THR CA C 71 63.824 63.082 0.742 1
1 834 . 12 1 1 A 71 71 THR HA H 71 3.181 3.972 -0.791 1
1 835 . 12 1 1 A 71 71 THR CB C 71 66.535 67.019 -0.484 1
1 841 . 12 1 1 A 71 71 THR C C 71 173.648 173.984 -0.336 1
1 842 . 12 1 1 A 72 72 TRP N N 72 111.097 113.217 -2.120 1
1 843 . 12 1 1 A 72 72 TRP H H 72 8.854 7.981 0.873 1
1 844 . 12 1 1 A 72 72 TRP CA C 72 58.910 57.922 0.988 1
1 845 . 12 1 1 A 72 72 TRP HA H 72 3.951 4.218 -0.267 1
1 846 . 12 1 1 A 72 72 TRP CB C 72 24.332 26.379 -2.047 1
1 861 . 12 1 1 A 72 72 TRP C C 72 176.875 176.222 0.653 1
1 862 . 12 1 1 A 73 73 LYS N N 73 124.701 117.605 7.096 1
1 863 . 12 1 1 A 73 73 LYS H H 73 7.785 8.273 -0.488 1
1 864 . 12 1 1 A 73 73 LYS CA C 73 60.463 56.810 3.653 1
1 865 . 12 1 1 A 73 73 LYS HA H 73 4.174 4.570 -0.396 1
1 866 . 12 1 1 A 73 73 LYS CB C 73 31.024 35.256 -4.232 1
1 878 . 12 1 1 A 73 73 LYS C C 73 177.622 176.805 0.817 1
1 879 . 12 1 1 A 74 74 SER N N 74 117.041 112.994 4.047 1
1 880 . 12 1 1 A 74 74 SER H H 74 10.002 7.461 2.541 1
1 881 . 12 1 1 A 74 74 SER CA C 74 57.539 56.822 0.717 1
1 882 . 12 1 1 A 74 74 SER HA H 74 4.556 4.815 -0.259 1
1 883 . 12 1 1 A 74 74 SER CB C 74 66.372 63.758 2.614 1
1 886 . 12 1 1 A 74 74 SER C C 74 171.956 172.230 -0.274 1
1 887 . 12 1 1 A 75 75 TYR N N 75 113.320 124.747 -11.427 1
1 888 . 12 1 1 A 75 75 TYR H H 75 7.735 8.767 -1.032 1
1 889 . 12 1 1 A 75 75 TYR CA C 75 57.155 55.169 1.986 1
1 890 . 12 1 1 A 75 75 TYR HA H 75 5.229 6.055 -0.826 1
1 891 . 12 1 1 A 75 75 TYR CB C 75 40.745 42.367 -1.622 1
1 902 . 12 1 1 A 75 75 TYR C C 75 174.262 174.188 0.074 1
1 903 . 12 1 1 A 76 76 THR N N 76 117.158 114.050 3.108 1
1 904 . 12 1 1 A 76 76 THR H H 76 9.212 8.313 0.899 1
1 905 . 12 1 1 A 76 76 THR CA C 76 62.104 60.981 1.123 1
1 906 . 12 1 1 A 76 76 THR HA H 76 4.318 4.785 -0.467 1
1 907 . 12 1 1 A 76 76 THR CB C 76 72.675 72.488 0.187 1
1 913 . 12 1 1 A 76 76 THR C C 76 171.344 172.037 -0.693 1
1 914 . 12 1 1 A 77 77 ASP N N 77 125.875 125.126 0.749 1
1 915 . 12 1 1 A 77 77 ASP H H 77 8.569 8.694 -0.125 1
1 916 . 12 1 1 A 77 77 ASP CA C 77 52.422 54.398 -1.976 1
1 917 . 12 1 1 A 77 77 ASP HA H 77 5.865 4.860 1.005 1
1 918 . 12 1 1 A 77 77 ASP CB C 77 41.512 41.643 -0.131 1
1 921 . 12 1 1 A 77 77 ASP C C 77 175.921 174.962 0.959 1
1 922 . 12 1 1 A 78 78 PHE N N 78 125.666 122.437 3.229 1
1 923 . 12 1 1 A 78 78 PHE H H 78 9.992 8.470 1.522 1
1 924 . 12 1 1 A 78 78 PHE CA C 78 55.578 55.611 -0.033 1
1 925 . 12 1 1 A 78 78 PHE HA H 78 4.943 4.951 -0.008 1
1 926 . 12 1 1 A 78 78 PHE CB C 78 40.375 40.422 -0.047 1
1 939 . 12 1 1 A 78 78 PHE C C 78 173.610 174.088 -0.478 1
1 940 . 12 1 1 A 79 79 PRO CA C 79 63.363 63.163 0.200 1
1 941 . 12 1 1 A 79 79 PRO HA H 79 4.615 4.673 -0.058 1
1 942 . 12 1 1 A 79 79 PRO CB C 79 32.787 32.250 0.537 1
1 951 . 12 1 1 A 79 79 PRO C C 79 176.681 177.114 -0.433 1
1 952 . 12 1 1 A 80 80 CYS N N 80 117.289 121.628 -4.339 1
1 953 . 12 1 1 A 80 80 CYS H H 80 8.308 8.301 0.007 1
1 954 . 12 1 1 A 80 80 CYS CA C 80 57.675 59.440 -1.765 1
1 955 . 12 1 1 A 80 80 CYS HA H 80 5.242 5.019 0.223 1
1 956 . 12 1 1 A 80 80 CYS CB C 80 30.658 29.871 0.787 1
1 959 . 12 1 1 A 80 80 CYS C C 80 174.899 174.837 0.062 1
1 960 . 12 1 1 A 81 81 GLN N N 81 122.188 119.222 2.966 1
1 961 . 12 1 1 A 81 81 GLN H H 81 9.312 9.103 0.209 1
1 962 . 12 1 1 A 81 81 GLN CA C 81 54.620 53.644 0.976 1
1 963 . 12 1 1 A 81 81 GLN HA H 81 4.911 5.356 -0.445 1
1 964 . 12 1 1 A 81 81 GLN CB C 81 31.213 32.006 -0.793 1
1 973 . 12 1 1 A 81 81 GLN C C 81 175.035 173.530 1.505 1
1 974 . 12 1 1 A 82 82 TYR N N 82 125.814 122.689 3.125 1
1 975 . 12 1 1 A 82 82 TYR H H 82 8.919 9.010 -0.091 1
1 976 . 12 1 1 A 82 82 TYR CA C 82 58.764 56.184 2.580 1
1 977 . 12 1 1 A 82 82 TYR HA H 82 3.403 5.055 -1.652 1
1 978 . 12 1 1 A 82 82 TYR CB C 82 38.346 40.961 -2.615 1
1 989 . 12 1 1 A 82 82 TYR C C 82 175.413 173.962 1.451 1
1 990 . 12 1 1 A 83 83 VAL N N 83 129.316 127.068 2.248 1
1 991 . 12 1 1 A 83 83 VAL H H 83 7.782 8.511 -0.729 1
1 992 . 12 1 1 A 83 83 VAL CA C 83 61.693 62.012 -0.319 1
1 993 . 12 1 1 A 83 83 VAL HA H 83 3.758 4.565 -0.807 1
1 994 . 12 1 1 A 83 83 VAL CB C 83 32.564 32.222 0.342 1
1 1004 . 12 1 1 A 83 83 VAL C C 83 173.771 174.641 -0.870 1
1 1005 . 12 1 1 A 84 84 LYS N N 84 126.665 130.226 -3.561 1
1 1006 . 12 1 1 A 84 84 LYS H H 84 8.174 9.118 -0.944 1
1 1007 . 12 1 1 A 84 84 LYS CA C 84 56.144 54.807 1.337 1
1 1008 . 12 1 1 A 84 84 LYS HA H 84 4.016 5.392 -1.376 1
1 1009 . 12 1 1 A 84 84 LYS CB C 84 32.170 35.320 -3.150 1
1 1021 . 12 1 1 A 84 84 LYS C C 84 175.610 174.680 0.930 1
1 1022 . 12 1 1 A 85 85 ASP N N 85 124.262 125.130 -0.868 1
1 1023 . 12 1 1 A 85 85 ASP H H 85 7.864 8.507 -0.643 1
1 1024 . 12 1 1 A 85 85 ASP CA C 85 53.349 54.031 -0.682 1
1 1025 . 12 1 1 A 85 85 ASP HA H 85 4.678 5.030 -0.352 1
1 1026 . 12 1 1 A 85 85 ASP CB C 85 41.683 44.334 -2.651 1
1 1029 . 12 1 1 A 85 85 ASP C C 85 176.841 176.062 0.779 1
1 1030 . 12 1 1 A 86 86 THR N N 86 113.656 119.132 -5.476 1
1 1031 . 12 1 1 A 86 86 THR H H 86 8.065 8.910 -0.845 1
1 1032 . 12 1 1 A 86 86 THR CA C 86 63.274 65.603 -2.329 1
1 1033 . 12 1 1 A 86 86 THR HA H 86 4.086 3.855 0.231 1
1 1034 . 12 1 1 A 86 86 THR CB C 86 69.257 68.949 0.308 1
1 1040 . 12 1 1 A 86 86 THR C C 86 174.589 175.793 -1.204 1
1 1041 . 12 1 1 A 87 87 TYR N N 87 120.837 116.563 4.274 1
1 1042 . 12 1 1 A 87 87 TYR H H 87 8.064 7.552 0.512 1
1 1043 . 12 1 1 A 87 87 TYR CA C 87 58.054 57.397 0.657 1
1 1044 . 12 1 1 A 87 87 TYR HA H 87 4.527 4.657 -0.130 1
1 1045 . 12 1 1 A 87 87 TYR CB C 87 38.297 37.304 0.993 1
1 1056 . 12 1 1 A 87 87 TYR C C 87 175.590 175.543 0.047 1
1 1057 . 12 1 1 A 88 88 ALA N N 88 125.226 123.965 1.261 1
1 1058 . 12 1 1 A 88 88 ALA H H 88 7.963 7.699 0.264 1
1 1059 . 12 1 1 A 88 88 ALA CA C 88 53.104 50.737 2.367 1
1 1060 . 12 1 1 A 88 88 ALA HA H 88 4.389 4.614 -0.225 1
1 1061 . 12 1 1 A 88 88 ALA CB C 88 19.127 19.099 0.028 1
1 1065 . 12 1 1 A 88 88 ALA C C 88 178.497 176.346 2.151 1
1 1066 . 12 1 1 A 89 89 GLY N N 89 109.029 110.237 -1.208 1
1 1067 . 12 1 1 A 89 89 GLY H H 89 8.479 8.650 -0.171 1
1 1068 . 12 1 1 A 89 89 GLY CA C 89 45.426 47.154 -1.728 1
1 1069 . 12 1 1 A 89 89 GLY HA2 H 89 3.952 3.946 0.006 1
1 1070 . 12 1 1 A 89 89 GLY HA3 H 89 4.079 3.949 0.130 1
1 1071 . 12 1 1 A 89 89 GLY C C 89 174.563 174.069 0.494 1
1 1072 . 12 1 1 A 90 90 SER N N 90 115.638 118.117 -2.479 1
1 1073 . 12 1 1 A 90 90 SER H H 90 8.232 8.629 -0.397 1
1 1074 . 12 1 1 A 90 90 SER CA C 90 58.443 58.947 -0.504 1
1 1075 . 12 1 1 A 90 90 SER HA H 90 4.574 4.626 -0.052 1
1 1076 . 12 1 1 A 90 90 SER CB C 90 63.865 65.975 -2.110 1
1 1079 . 12 1 1 A 90 90 SER C C 90 174.212 173.942 0.270 1
1 1080 . 12 1 1 A 91 91 ASP N N 91 120.185 118.394 1.791 1
1 1081 . 12 1 1 A 91 91 ASP H H 91 8.691 8.014 0.677 1
1 1082 . 12 1 1 A 91 91 ASP CA C 91 55.012 55.562 -0.550 1
1 1083 . 12 1 1 A 91 91 ASP HA H 91 4.684 4.299 0.385 1
1 1084 . 12 1 1 A 91 91 ASP CB C 91 40.643 39.340 1.303 1
1 1087 . 12 1 1 A 91 91 ASP C C 91 176.350 174.763 1.587 1
1 1088 . 12 1 1 A 92 92 ARG N N 92 119.690 117.840 1.850 1
1 1089 . 12 1 1 A 92 92 ARG H H 92 8.072 7.581 0.491 1
1 1090 . 12 1 1 A 92 92 ARG CA C 92 54.941 54.046 0.895 1
1 1091 . 12 1 1 A 92 92 ARG HA H 92 5.022 4.891 0.131 1
1 1092 . 12 1 1 A 92 92 ARG CB C 92 32.816 34.663 -1.847 1
1 1101 . 12 1 1 A 92 92 ARG C C 92 174.072 174.637 -0.565 1
1 1102 . 12 1 1 A 93 93 ASP N N 93 119.716 121.866 -2.150 1
1 1103 . 12 1 1 A 93 93 ASP H H 93 8.550 8.428 0.122 1
1 1104 . 12 1 1 A 93 93 ASP CA C 93 53.411 53.326 0.085 1
1 1105 . 12 1 1 A 93 93 ASP HA H 93 5.108 4.579 0.529 1
1 1106 . 12 1 1 A 93 93 ASP CB C 93 46.005 39.729 6.276 1
1 1109 . 12 1 1 A 93 93 ASP C C 93 174.776 174.485 0.291 1
1 1110 . 12 1 1 A 94 94 THR N N 94 116.481 118.843 -2.362 1
1 1111 . 12 1 1 A 94 94 THR H H 94 8.932 8.266 0.666 1
1 1112 . 12 1 1 A 94 94 THR CA C 94 62.287 61.999 0.288 1
1 1113 . 12 1 1 A 94 94 THR HA H 94 5.232 4.520 0.712 1
1 1114 . 12 1 1 A 94 94 THR CB C 94 70.008 69.247 0.761 1
1 1120 . 12 1 1 A 94 94 THR C C 94 171.982 173.168 -1.186 1
1 1121 . 12 1 1 A 95 95 PHE N N 95 124.488 126.598 -2.110 1
1 1122 . 12 1 1 A 95 95 PHE H H 95 9.347 9.384 -0.037 1
1 1123 . 12 1 1 A 95 95 PHE CA C 95 55.834 56.035 -0.201 1
1 1124 . 12 1 1 A 95 95 PHE HA H 95 5.321 5.491 -0.170 1
1 1125 . 12 1 1 A 95 95 PHE CB C 95 43.478 42.877 0.601 1
1 1138 . 12 1 1 A 95 95 PHE C C 95 174.780 174.200 0.580 1
1 1139 . 12 1 1 A 96 96 SER N N 96 117.417 115.571 1.846 1
1 1140 . 12 1 1 A 96 96 SER H H 96 10.108 9.221 0.887 1
1 1141 . 12 1 1 A 96 96 SER CA C 96 56.388 56.596 -0.208 1
1 1142 . 12 1 1 A 96 96 SER HA H 96 5.575 5.670 -0.095 1
1 1143 . 12 1 1 A 96 96 SER CB C 96 67.188 65.752 1.436 1
1 1146 . 12 1 1 A 96 96 SER C C 96 173.079 173.222 -0.143 1
1 1147 . 12 1 1 A 97 97 PHE N N 97 114.813 120.411 -5.598 1
1 1148 . 12 1 1 A 97 97 PHE H H 97 7.991 8.993 -1.002 1
1 1149 . 12 1 1 A 97 97 PHE CA C 97 56.003 55.091 0.912 1
1 1150 . 12 1 1 A 97 97 PHE HA H 97 5.249 5.813 -0.564 1
1 1151 . 12 1 1 A 97 97 PHE CB C 97 42.008 42.729 -0.721 1
1 1164 . 12 1 1 A 97 97 PHE C C 97 174.316 172.735 1.581 1
1 1165 . 12 1 1 A 98 98 ASP N N 98 121.809 121.895 -0.086 1
1 1166 . 12 1 1 A 98 98 ASP H H 98 8.297 8.927 -0.630 1
1 1167 . 12 1 1 A 98 98 ASP CA C 98 54.789 53.095 1.694 1
1 1168 . 12 1 1 A 98 98 ASP HA H 98 5.006 5.229 -0.223 1
1 1169 . 12 1 1 A 98 98 ASP CB C 98 42.282 42.515 -0.233 1
1 1172 . 12 1 1 A 98 98 ASP C C 98 174.959 174.518 0.441 1
1 1173 . 12 1 1 A 99 99 ILE N N 99 126.714 126.692 0.022 1
1 1174 . 12 1 1 A 99 99 ILE H H 99 9.331 8.958 0.373 1
1 1175 . 12 1 1 A 99 99 ILE CA C 99 60.455 59.949 0.506 1
1 1176 . 12 1 1 A 99 99 ILE HA H 99 4.016 4.526 -0.510 1
1 1177 . 12 1 1 A 99 99 ILE CB C 99 42.110 39.783 2.327 1
1 1190 . 12 1 1 A 99 99 ILE C C 99 175.019 175.131 -0.112 1
1 1191 . 12 1 1 A 100 100 SER N N 100 122.590 124.865 -2.275 1
1 1192 . 12 1 1 A 100 100 SER H H 100 8.345 8.756 -0.411 1
1 1193 . 12 1 1 A 100 100 SER CA C 100 58.848 57.986 0.862 1
1 1194 . 12 1 1 A 100 100 SER HA H 100 4.527 4.905 -0.378 1
1 1195 . 12 1 1 A 100 100 SER CB C 100 63.482 63.493 -0.011 1
1 1198 . 12 1 1 A 100 100 SER C C 100 173.557 173.948 -0.391 1
1 1199 . 12 1 1 A 101 101 LEU N N 101 124.776 127.362 -2.586 1
1 1200 . 12 1 1 A 101 101 LEU H H 101 8.277 8.538 -0.261 1
1 1201 . 12 1 1 A 101 101 LEU CA C 101 52.430 53.823 -1.393 1
1 1202 . 12 1 1 A 101 101 LEU HA H 101 4.375 4.402 -0.027 1
1 1203 . 12 1 1 A 101 101 LEU CB C 101 40.427 41.320 -0.893 1
1 1216 . 12 1 1 A 101 101 LEU C C 101 174.363 174.795 -0.432 1
1 1217 . 12 1 1 A 102 102 PRO CA C 102 62.488 62.146 0.342 1
1 1218 . 12 1 1 A 102 102 PRO HA H 102 4.259 4.345 -0.086 1
1 1219 . 12 1 1 A 102 102 PRO CB C 102 32.073 32.057 0.016 1
1 1228 . 12 1 1 A 102 102 PRO C C 102 175.687 177.754 -2.067 1
1 1229 . 12 1 1 A 103 103 GLU N N 103 118.843 121.580 -2.737 1
1 1230 . 12 1 1 A 103 103 GLU H H 103 8.286 8.703 -0.417 1
1 1231 . 12 1 1 A 103 103 GLU CA C 103 58.131 59.020 -0.889 1
1 1232 . 12 1 1 A 103 103 GLU HA H 103 4.013 4.047 -0.034 1
1 1233 . 12 1 1 A 103 103 GLU CB C 103 30.344 29.314 1.030 1
1 1239 . 12 1 1 A 103 103 GLU C C 103 176.869 176.051 0.818 1
1 1240 . 12 1 1 A 104 104 LYS N N 104 116.544 117.965 -1.421 1
1 1241 . 12 1 1 A 104 104 LYS H H 104 7.869 7.597 0.272 1
1 1242 . 12 1 1 A 104 104 LYS CA C 104 55.314 54.877 0.437 1
1 1243 . 12 1 1 A 104 104 LYS HA H 104 4.474 4.982 -0.508 1
1 1244 . 12 1 1 A 104 104 LYS CB C 104 33.428 37.031 -3.603 1
1 1256 . 12 1 1 A 104 104 LYS C C 104 175.231 174.743 0.488 1
1 1257 . 12 1 1 A 105 105 ILE N N 105 122.507 121.277 1.230 1
1 1258 . 12 1 1 A 105 105 ILE H H 105 8.236 8.567 -0.331 1
1 1259 . 12 1 1 A 105 105 ILE CA C 105 60.636 60.314 0.322 1
1 1260 . 12 1 1 A 105 105 ILE HA H 105 4.190 4.992 -0.802 1
1 1261 . 12 1 1 A 105 105 ILE CB C 105 39.685 41.926 -2.241 1
1 1274 . 12 1 1 A 105 105 ILE C C 105 176.091 174.903 1.188 1
1 1275 . 12 1 1 A 106 106 GLN N N 106 124.467 126.126 -1.659 1
1 1276 . 12 1 1 A 106 106 GLN H H 106 8.752 9.379 -0.627 1
1 1277 . 12 1 1 A 106 106 GLN CA C 106 56.244 54.139 2.105 1
1 1278 . 12 1 1 A 106 106 GLN HA H 106 4.243 5.048 -0.805 1
1 1279 . 12 1 1 A 106 106 GLN CB C 106 28.717 32.291 -3.574 1
1 1288 . 12 1 1 A 106 106 GLN C C 106 177.593 175.530 2.063 1
1 1289 . 12 1 1 A 107 107 SER N N 107 116.963 114.635 2.328 1
1 1290 . 12 1 1 A 107 107 SER H H 107 8.623 8.618 0.005 1
1 1291 . 12 1 1 A 107 107 SER CA C 107 60.530 57.456 3.074 1
1 1292 . 12 1 1 A 107 107 SER HA H 107 4.152 4.739 -0.587 1
1 1293 . 12 1 1 A 107 107 SER CB C 107 63.187 62.935 0.252 1
1 1296 . 12 1 1 A 107 107 SER C C 107 174.222 175.013 -0.791 1
1 1297 . 12 1 1 A 108 108 TYR N N 108 116.323 120.426 -4.103 1
1 1298 . 12 1 1 A 108 108 TYR H H 108 7.330 7.869 -0.539 1
1 1299 . 12 1 1 A 108 108 TYR CA C 108 56.727 57.462 -0.735 1
1 1300 . 12 1 1 A 108 108 TYR HA H 108 4.655 4.794 -0.139 1
1 1301 . 12 1 1 A 108 108 TYR CB C 108 37.491 39.908 -2.417 1
1 1312 . 12 1 1 A 108 108 TYR C C 108 175.768 175.407 0.361 1
1 1313 . 12 1 1 A 109 109 GLU N N 109 120.523 117.983 2.540 1
1 1314 . 12 1 1 A 109 109 GLU H H 109 7.587 7.073 0.514 1
1 1315 . 12 1 1 A 109 109 GLU CA C 109 55.573 54.248 1.325 1
1 1316 . 12 1 1 A 109 109 GLU HA H 109 4.582 4.717 -0.135 1
1 1317 . 12 1 1 A 109 109 GLU CB C 109 31.360 33.972 -2.612 1
1 1323 . 12 1 1 A 109 109 GLU C C 109 176.013 173.884 2.129 1
1 1324 . 12 1 1 A 110 110 ARG N N 110 118.559 122.755 -4.196 1
1 1325 . 12 1 1 A 110 110 ARG H H 110 8.441 8.060 0.381 1
1 1326 . 12 1 1 A 110 110 ARG CA C 110 55.667 55.251 0.416 1
1 1327 . 12 1 1 A 110 110 ARG HA H 110 4.786 4.684 0.102 1
1 1328 . 12 1 1 A 110 110 ARG CB C 110 32.404 31.776 0.628 1
1 1339 . 12 1 1 A 110 110 ARG C C 110 174.387 174.629 -0.242 1
1 1340 . 12 1 1 A 111 111 MET N N 111 122.471 122.429 0.042 1
1 1341 . 12 1 1 A 111 111 MET H H 111 8.665 8.793 -0.128 1
1 1342 . 12 1 1 A 111 111 MET CA C 111 54.151 54.367 -0.216 1
1 1343 . 12 1 1 A 111 111 MET HA H 111 5.167 4.890 0.277 1
1 1344 . 12 1 1 A 111 111 MET CB C 111 35.735 35.502 0.233 1
1 1354 . 12 1 1 A 111 111 MET C C 111 174.924 174.580 0.344 1
1 1355 . 12 1 1 A 112 112 GLU N N 112 119.500 124.901 -5.401 1
1 1356 . 12 1 1 A 112 112 GLU H H 112 7.951 8.384 -0.433 1
1 1357 . 12 1 1 A 112 112 GLU CA C 112 53.909 54.784 -0.875 1
1 1358 . 12 1 1 A 112 112 GLU HA H 112 5.662 5.051 0.611 1
1 1359 . 12 1 1 A 112 112 GLU CB C 112 35.198 34.611 0.587 1
1 1365 . 12 1 1 A 112 112 GLU C C 112 174.483 174.601 -0.118 1
1 1366 . 12 1 1 A 113 113 PHE N N 113 115.033 117.695 -2.662 1
1 1367 . 12 1 1 A 113 113 PHE H H 113 9.278 8.820 0.458 1
1 1368 . 12 1 1 A 113 113 PHE CA C 113 55.857 56.017 -0.160 1
1 1369 . 12 1 1 A 113 113 PHE HA H 113 6.262 5.704 0.558 1
1 1370 . 12 1 1 A 113 113 PHE CB C 113 43.656 42.601 1.055 1
1 1383 . 12 1 1 A 113 113 PHE C C 113 172.253 172.674 -0.421 1
1 1384 . 12 1 1 A 114 114 ALA N N 114 121.461 122.689 -1.228 1
1 1385 . 12 1 1 A 114 114 ALA H H 114 9.475 9.018 0.457 1
1 1386 . 12 1 1 A 114 114 ALA CA C 114 50.860 50.242 0.618 1
1 1387 . 12 1 1 A 114 114 ALA HA H 114 5.026 5.556 -0.530 1
1 1388 . 12 1 1 A 114 114 ALA CB C 114 23.129 23.531 -0.402 1
1 1392 . 12 1 1 A 114 114 ALA C C 114 174.903 175.881 -0.978 1
1 1393 . 12 1 1 A 115 115 VAL N N 115 120.899 120.104 0.795 1
1 1394 . 12 1 1 A 115 115 VAL H H 115 8.928 8.702 0.226 1
1 1395 . 12 1 1 A 115 115 VAL CA C 115 61.379 61.741 -0.362 1
1 1396 . 12 1 1 A 115 115 VAL HA H 115 4.798 4.721 0.077 1
1 1397 . 12 1 1 A 115 115 VAL CB C 115 34.712 32.897 1.815 1
1 1407 . 12 1 1 A 115 115 VAL C C 115 174.444 174.348 0.096 1
1 1408 . 12 1 1 A 116 116 TYR N N 116 123.426 128.320 -4.894 1
1 1409 . 12 1 1 A 116 116 TYR H H 116 8.963 8.337 0.626 1
1 1410 . 12 1 1 A 116 116 TYR CA C 116 55.480 54.508 0.972 1
1 1411 . 12 1 1 A 116 116 TYR HA H 116 5.081 4.854 0.227 1
1 1412 . 12 1 1 A 116 116 TYR CB C 116 38.928 40.120 -1.192 1
1 1423 . 12 1 1 A 116 116 TYR C C 116 172.208 173.109 -0.901 1
1 1424 . 12 1 1 A 117 117 TYR N N 117 123.249 130.052 -6.803 1
1 1425 . 12 1 1 A 117 117 TYR H H 117 8.858 8.762 0.096 1
1 1426 . 12 1 1 A 117 117 TYR CA C 117 52.371 56.445 -4.074 1
1 1427 . 12 1 1 A 117 117 TYR HA H 117 5.528 4.817 0.711 1
1 1428 . 12 1 1 A 117 117 TYR CB C 117 41.509 40.581 0.928 1
1 1439 . 12 1 1 A 117 117 TYR C C 117 173.159 173.470 -0.311 1
1 1440 . 12 1 1 A 118 118 GLU N N 118 127.681 128.017 -0.336 1
1 1441 . 12 1 1 A 118 118 GLU H H 118 9.368 8.428 0.940 1
1 1442 . 12 1 1 A 118 118 GLU CA C 118 54.179 55.065 -0.886 1
1 1443 . 12 1 1 A 118 118 GLU HA H 118 5.085 4.631 0.454 1
1 1444 . 12 1 1 A 118 118 GLU CB C 118 32.099 30.918 1.181 1
1 1450 . 12 1 1 A 118 118 GLU C C 118 175.565 174.971 0.594 1
1 1451 . 12 1 1 A 119 119 CYS N N 119 122.152 123.116 -0.964 1
1 1452 . 12 1 1 A 119 119 CYS H H 119 8.323 7.877 0.446 1
1 1453 . 12 1 1 A 119 119 CYS CA C 119 58.248 58.271 -0.023 1
1 1454 . 12 1 1 A 119 119 CYS HA H 119 4.479 4.523 -0.044 1
1 1455 . 12 1 1 A 119 119 CYS CB C 119 29.065 31.604 -2.539 1
1 1458 . 12 1 1 A 119 119 CYS C C 119 174.586 173.674 0.912 1
1 1459 . 12 1 1 A 120 120 ASN N N 120 126.917 121.688 5.229 1
1 1460 . 12 1 1 A 120 120 ASN H H 120 9.858 9.200 0.658 1
1 1461 . 12 1 1 A 120 120 ASN CA C 120 53.735 54.428 -0.693 1
1 1462 . 12 1 1 A 120 120 ASN HA H 120 4.342 4.398 -0.056 1
1 1463 . 12 1 1 A 120 120 ASN CB C 120 37.873 37.405 0.468 1
1 1469 . 12 1 1 A 120 120 ASN C C 120 174.943 175.413 -0.470 1
1 1470 . 12 1 1 A 121 121 GLY N N 121 104.866 103.697 1.169 1
1 1471 . 12 1 1 A 121 121 GLY H H 121 8.776 8.573 0.203 1
1 1472 . 12 1 1 A 121 121 GLY CA C 121 45.586 46.428 -0.842 1
1 1473 . 12 1 1 A 121 121 GLY HA2 H 121 4.041 3.828 0.213 1
1 1474 . 12 1 1 A 121 121 GLY HA3 H 121 3.553 3.846 -0.293 1
1 1475 . 12 1 1 A 121 121 GLY C C 121 173.804 173.688 0.116 1
1 1476 . 12 1 1 A 122 122 GLN N N 122 119.988 118.480 1.508 1
1 1477 . 12 1 1 A 122 122 GLN H H 122 7.677 7.565 0.112 1
1 1478 . 12 1 1 A 122 122 GLN CA C 122 53.624 53.487 0.137 1
1 1479 . 12 1 1 A 122 122 GLN HA H 122 4.395 4.793 -0.398 1
1 1480 . 12 1 1 A 122 122 GLN CB C 122 31.456 32.523 -1.067 1
1 1489 . 12 1 1 A 122 122 GLN C C 122 174.029 174.201 -0.172 1
1 1490 . 12 1 1 A 123 123 THR N N 123 116.337 115.889 0.448 1
1 1491 . 12 1 1 A 123 123 THR H H 123 7.990 8.531 -0.541 1
1 1492 . 12 1 1 A 123 123 THR CA C 123 61.935 61.372 0.563 1
1 1493 . 12 1 1 A 123 123 THR HA H 123 4.620 4.603 0.017 1
1 1494 . 12 1 1 A 123 123 THR CB C 123 70.005 70.474 -0.469 1
1 1500 . 12 1 1 A 123 123 THR C C 123 172.596 173.018 -0.422 1
1 1501 . 12 1 1 A 124 124 TYR N N 124 128.915 126.350 2.565 1
1 1502 . 12 1 1 A 124 124 TYR H H 124 9.416 8.413 1.003 1
1 1503 . 12 1 1 A 124 124 TYR CA C 124 56.388 56.863 -0.475 1
1 1504 . 12 1 1 A 124 124 TYR HA H 124 4.962 4.939 0.023 1
1 1505 . 12 1 1 A 124 124 TYR CB C 124 40.688 39.565 1.123 1
1 1516 . 12 1 1 A 124 124 TYR C C 124 174.284 175.003 -0.719 1
1 1517 . 12 1 1 A 125 125 TRP N N 125 119.850 123.662 -3.812 1
1 1518 . 12 1 1 A 125 125 TRP H H 125 8.738 9.153 -0.415 1
1 1519 . 12 1 1 A 125 125 TRP CA C 125 56.940 55.735 1.205 1
1 1520 . 12 1 1 A 125 125 TRP HA H 125 5.388 5.288 0.100 1
1 1521 . 12 1 1 A 125 125 TRP CB C 125 33.031 31.541 1.490 1
1 1536 . 12 1 1 A 125 125 TRP C C 125 176.973 174.880 2.093 1
1 1537 . 12 1 1 A 126 126 ASP N N 126 118.759 125.647 -6.888 1
1 1538 . 12 1 1 A 126 126 ASP H H 126 9.436 9.145 0.291 1
1 1539 . 12 1 1 A 126 126 ASP CA C 126 53.968 52.893 1.075 1
1 1540 . 12 1 1 A 126 126 ASP HA H 126 5.213 5.155 0.058 1
1 1541 . 12 1 1 A 126 126 ASP CB C 126 42.641 42.599 0.042 1
1 1544 . 12 1 1 A 126 126 ASP C C 126 176.043 174.266 1.777 1
1 1545 . 12 1 1 A 127 127 SER N N 127 119.074 119.717 -0.643 1
1 1546 . 12 1 1 A 127 127 SER H H 127 8.520 8.735 -0.215 1
1 1547 . 12 1 1 A 127 127 SER CA C 127 55.118 56.406 -1.288 1
1 1548 . 12 1 1 A 127 127 SER HA H 127 4.811 5.025 -0.214 1
1 1549 . 12 1 1 A 127 127 SER CB C 127 63.866 64.330 -0.464 1
1 1552 . 12 1 1 A 127 127 SER C C 127 175.840 173.771 2.069 1
1 1553 . 12 1 1 A 128 128 ASN N N 128 124.865 118.554 6.311 1
1 1554 . 12 1 1 A 128 128 ASN H H 128 9.242 8.535 0.707 1
1 1555 . 12 1 1 A 128 128 ASN CA C 128 53.224 53.076 0.148 1
1 1556 . 12 1 1 A 128 128 ASN HA H 128 4.071 2.869 1.202 1
1 1557 . 12 1 1 A 128 128 ASN CB C 128 34.281 36.303 -2.022 1
1 1563 . 12 1 1 A 128 128 ASN C C 128 176.607 173.924 2.683 1
1 1564 . 12 1 1 A 129 129 ARG N N 129 114.718 111.844 2.874 1
1 1565 . 12 1 1 A 129 129 ARG H H 129 9.475 8.234 1.241 1
1 1566 . 12 1 1 A 129 129 ARG CA C 129 56.798 56.892 -0.094 1
1 1567 . 12 1 1 A 129 129 ARG HA H 129 3.774 3.757 0.017 1
1 1568 . 12 1 1 A 129 129 ARG CB C 129 27.145 28.048 -0.903 1
1 1579 . 12 1 1 A 129 129 ARG C C 129 176.132 175.694 0.438 1
1 1580 . 12 1 1 A 130 130 GLY N N 130 106.337 105.873 0.464 1
1 1581 . 12 1 1 A 130 130 GLY H H 130 7.568 7.118 0.450 1
1 1582 . 12 1 1 A 130 130 GLY CA C 130 44.896 46.081 -1.185 1
1 1583 . 12 1 1 A 130 130 GLY HA2 H 130 4.103 4.046 0.057 1
1 1584 . 12 1 1 A 130 130 GLY HA3 H 130 3.425 4.065 -0.640 1
1 1585 . 12 1 1 A 130 130 GLY C C 130 174.521 173.921 0.600 1
1 1586 . 12 1 1 A 131 131 LYS N N 131 119.902 124.417 -4.515 1
1 1587 . 12 1 1 A 131 131 LYS H H 131 7.278 8.140 -0.862 1
1 1588 . 12 1 1 A 131 131 LYS CA C 131 57.336 57.896 -0.560 1
1 1589 . 12 1 1 A 131 131 LYS HA H 131 4.132 4.137 -0.005 1
1 1590 . 12 1 1 A 131 131 LYS CB C 131 33.719 32.718 1.001 1
1 1602 . 12 1 1 A 131 131 LYS C C 131 177.813 176.443 1.370 1
1 1603 . 12 1 1 A 132 132 ASN N N 132 107.489 111.722 -4.233 1
1 1604 . 12 1 1 A 132 132 ASN H H 132 8.268 7.595 0.673 1
1 1605 . 12 1 1 A 132 132 ASN CA C 132 54.717 52.050 2.667 1
1 1606 . 12 1 1 A 132 132 ASN HA H 132 3.691 4.734 -1.043 1
1 1607 . 12 1 1 A 132 132 ASN CB C 132 39.462 40.887 -1.425 1
1 1613 . 12 1 1 A 132 132 ASN C C 132 172.611 172.728 -0.117 1
1 1614 . 12 1 1 A 133 133 TYR N N 133 120.541 120.411 0.130 1
1 1615 . 12 1 1 A 133 133 TYR H H 133 8.696 8.287 0.409 1
1 1616 . 12 1 1 A 133 133 TYR CA C 133 58.334 58.478 -0.144 1
1 1617 . 12 1 1 A 133 133 TYR HA H 133 3.879 4.392 -0.513 1
1 1618 . 12 1 1 A 133 133 TYR CB C 133 35.955 37.763 -1.808 1
1 1627 . 12 1 1 A 133 133 TYR C C 133 175.026 175.648 -0.622 1
1 1628 . 12 1 1 A 134 134 ARG N N 134 123.205 123.601 -0.396 1
1 1629 . 12 1 1 A 134 134 ARG H H 134 8.584 8.608 -0.024 1
1 1630 . 12 1 1 A 134 134 ARG CA C 134 56.025 55.899 0.126 1
1 1631 . 12 1 1 A 134 134 ARG HA H 134 5.043 4.662 0.381 1
1 1632 . 12 1 1 A 134 134 ARG CB C 134 32.734 30.821 1.913 1
1 1643 . 12 1 1 A 134 134 ARG C C 134 174.511 175.690 -1.179 1
1 1644 . 12 1 1 A 135 135 ILE N N 135 124.430 125.879 -1.449 1
1 1645 . 12 1 1 A 135 135 ILE H H 135 8.429 8.676 -0.247 1
1 1646 . 12 1 1 A 135 135 ILE CA C 135 61.078 60.204 0.874 1
1 1647 . 12 1 1 A 135 135 ILE HA H 135 4.797 4.781 0.016 1
1 1648 . 12 1 1 A 135 135 ILE CB C 135 39.875 38.487 1.388 1
1 1661 . 12 1 1 A 135 135 ILE C C 135 175.279 176.178 -0.899 1
1 1662 . 12 1 1 A 136 136 ILE N N 136 120.496 124.212 -3.716 1
1 1663 . 12 1 1 A 136 136 ILE H H 136 9.000 8.795 0.205 1
1 1664 . 12 1 1 A 136 136 ILE CA C 136 59.359 59.560 -0.201 1
1 1665 . 12 1 1 A 136 136 ILE HA H 136 5.028 4.808 0.220 1
1 1666 . 12 1 1 A 136 136 ILE CB C 136 42.170 40.291 1.879 1
1 1679 . 12 1 1 A 136 136 ILE C C 136 175.144 175.968 -0.824 1
1 1680 . 12 1 1 A 137 137 ARG N N 137 122.183 124.383 -2.200 1
1 1681 . 12 1 1 A 137 137 ARG H H 137 8.535 8.379 0.156 1
1 1682 . 12 1 1 A 137 137 ARG CA C 137 56.339 56.066 0.273 1
1 1683 . 12 1 1 A 137 137 ARG HA H 137 4.402 4.545 -0.143 1
1 1684 . 12 1 1 A 137 137 ARG CB C 137 30.696 31.276 -0.580 1
1 1695 . 12 1 1 A 137 137 ARG C C 137 176.646 177.561 -0.915 1
1 1696 . 12 1 1 A 138 138 ALA N N 138 126.694 127.354 -0.660 1
1 1697 . 12 1 1 A 138 138 ALA H H 138 8.353 8.849 -0.496 1
1 1698 . 12 1 1 A 138 138 ALA CA C 138 52.808 55.021 -2.213 1
1 1699 . 12 1 1 A 138 138 ALA HA H 138 4.134 3.964 0.170 1
1 1700 . 12 1 1 A 138 138 ALA CB C 138 19.536 18.021 1.515 1
1 1704 . 12 1 1 A 138 138 ALA C C 138 177.637 179.889 -2.252 1
1 1705 . 12 1 1 A 139 139 GLU N N 139 119.890 116.818 3.072 1
1 1706 . 12 1 1 A 139 139 GLU H H 139 8.615 7.994 0.621 1
1 1707 . 12 1 1 A 139 139 GLU CA C 139 56.586 59.219 -2.633 1
1 1708 . 12 1 1 A 139 139 GLU HA H 139 4.268 4.053 0.215 1
1 1709 . 12 1 1 A 139 139 GLU CB C 139 30.137 29.288 0.849 1
1 1715 . 12 1 1 A 139 139 GLU C C 139 176.488 179.004 -2.516 1
1 1716 . 12 1 1 A 140 140 LEU N N 140 123.350 120.969 2.381 1
1 1717 . 12 1 1 A 140 140 LEU H H 140 8.224 8.245 -0.021 1
1 1718 . 12 1 1 A 140 140 LEU CA C 140 55.185 58.029 -2.844 1
1 1719 . 12 1 1 A 140 140 LEU HA H 140 4.339 3.907 0.432 1
1 1720 . 12 1 1 A 140 140 LEU CB C 140 42.294 41.565 0.729 1
1 1733 . 12 1 1 A 140 140 LEU C C 140 177.456 177.559 -0.103 1
1 1734 . 12 1 1 A 141 141 LYS N N 141 122.155 120.662 1.493 1
1 1735 . 12 1 1 A 141 141 LYS H H 141 8.239 7.735 0.504 1
1 1736 . 12 1 1 A 141 141 LYS CA C 141 56.480 57.259 -0.779 1
1 1737 . 12 1 1 A 141 141 LYS HA H 141 4.309 4.138 0.171 1
1 1738 . 12 1 1 A 141 141 LYS CB C 141 32.976 33.167 -0.191 1
1 1750 . 12 1 1 A 141 141 LYS C C 141 176.734 175.488 1.246 1
1 1751 . 12 1 1 A 142 142 SER N N 142 116.816 120.073 -3.257 1
1 1752 . 12 1 1 A 142 142 SER H H 142 8.369 8.653 -0.284 1
1 1753 . 12 1 1 A 142 142 SER CA C 142 58.425 57.215 1.210 1
1 1754 . 12 1 1 A 142 142 SER HA H 142 4.529 4.842 -0.313 1
1 1755 . 12 1 1 A 142 142 SER CB C 142 63.836 66.511 -2.675 1
1 1758 . 12 1 1 A 142 142 SER C C 142 175.185 173.264 1.921 1
1 1759 . 12 1 1 A 143 143 THR N N 143 115.566 120.326 -4.760 1
1 1760 . 12 1 1 A 143 143 THR H H 143 8.235 8.539 -0.304 1
1 1761 . 12 1 1 A 143 143 THR CA C 143 61.999 63.464 -1.465 1
1 1762 . 12 1 1 A 143 143 THR HA H 143 4.389 4.374 0.015 1
1 1763 . 12 1 1 A 143 143 THR CB C 143 69.634 69.424 0.210 1
1 1769 . 12 1 1 A 143 143 THR C C 143 174.937 174.944 -0.007 1
1 1770 . 12 1 1 A 144 144 GLN N N 144 122.469 123.783 -1.314 1
1 1771 . 12 1 1 A 144 144 GLN H H 144 8.345 8.580 -0.235 1
1 1772 . 12 1 1 A 144 144 GLN CA C 144 56.480 55.353 1.127 1
1 1773 . 12 1 1 A 144 144 GLN HA H 144 4.307 4.735 -0.428 1
1 1774 . 12 1 1 A 144 144 GLN CB C 144 29.307 32.887 -3.580 1
1 1783 . 12 1 1 A 144 144 GLN C C 144 176.536 174.357 2.179 1
1 1784 . 12 1 1 A 145 145 GLY N N 145 110.021 111.967 -1.946 1
1 1785 . 12 1 1 A 145 145 GLY H H 145 8.461 8.638 -0.177 1
1 1786 . 12 1 1 A 145 145 GLY CA C 145 45.355 44.663 0.692 1
1 1787 . 12 1 1 A 145 145 GLY HA2 H 145 3.967 4.244 -0.277 1
1 1788 . 12 1 1 A 145 145 GLY HA3 H 145 3.967 4.247 -0.280 1
1 1789 . 12 1 1 A 145 145 GLY C C 145 174.123 172.325 1.798 1
1 1790 . 12 1 1 A 146 146 MET N N 146 119.836 120.026 -0.190 1
1 1791 . 12 1 1 A 146 146 MET H H 146 8.197 8.813 -0.616 1
1 1792 . 12 1 1 A 146 146 MET CA C 146 55.594 54.235 1.359 1
1 1793 . 12 1 1 A 146 146 MET HA H 146 4.538 4.913 -0.375 1
1 1794 . 12 1 1 A 146 146 MET CB C 146 33.090 33.756 -0.666 1
1 1804 . 12 1 1 A 146 146 MET C C 146 176.454 176.660 -0.206 1
1 1805 . 12 1 1 A 147 147 THR N N 147 116.248 116.667 -0.419 1
1 1806 . 12 1 1 A 147 147 THR H H 147 8.239 8.735 -0.496 1
1 1807 . 12 1 1 A 147 147 THR CA C 147 61.959 63.309 -1.350 1
1 1808 . 12 1 1 A 147 147 THR HA H 147 4.318 4.237 0.081 1
1 1809 . 12 1 1 A 147 147 THR CB C 147 69.875 69.067 0.808 1
1 1815 . 12 1 1 A 147 147 THR C C 147 174.141 174.473 -0.332 1
1 1816 . 12 1 1 A 148 148 LYS N N 148 125.399 120.689 4.710 1
1 1817 . 12 1 1 A 148 148 LYS H H 148 8.387 7.344 1.043 1
1 1818 . 12 1 1 A 148 148 LYS CA C 148 54.186 53.489 0.697 1
1 1819 . 12 1 1 A 148 148 LYS HA H 148 4.617 4.585 0.032 1
1 1820 . 12 1 1 A 148 148 LYS CB C 148 32.651 35.374 -2.723 1
1 1832 . 12 1 1 A 148 148 LYS C C 148 174.388 173.482 0.906 1
1 1833 . 12 1 1 A 149 149 PRO CA C 149 63.178 62.881 0.297 1
1 1834 . 12 1 1 A 149 149 PRO HA H 149 4.406 4.552 -0.146 1
1 1835 . 12 1 1 A 149 149 PRO CB C 149 32.164 32.159 0.005 1
1 1844 . 12 1 1 A 150 150 HIS CA C 150 56.264 56.202 0.062 1
1 1845 . 12 1 1 A 150 150 HIS HA H 150 4.626 4.709 -0.083 1
1 1846 . 12 1 1 A 150 150 HIS CB C 150 30.574 30.349 0.225 1
1 1852 . 12 1 1 A 151 151 SER CA C 151 58.018 58.953 -0.935 1
1 1853 . 12 1 1 A 151 151 SER HA H 151 4.475 4.475 0.000 1
1 1854 . 12 1 1 A 151 151 SER CB C 151 64.139 63.860 0.279 1
1 1856 . 12 1 1 A 151 151 SER C C 151 174.253 174.857 -0.604 1
1 1857 . 12 1 1 A 152 152 GLY N N 152 110.964 112.173 -1.209 1
1 1858 . 12 1 1 A 152 152 GLY H H 152 8.276 8.508 -0.232 1
1 1859 . 12 1 1 A 152 152 GLY CA C 152 44.637 44.256 0.381 1
1 1860 . 12 1 1 A 152 152 GLY HA2 H 152 4.120 4.148 -0.028 1
1 1861 . 12 1 1 A 152 152 GLY HA3 H 152 4.120 4.150 -0.030 1
1 1862 . 12 1 1 A 152 152 GLY C C 152 171.668 173.078 -1.410 1
1 1863 . 12 1 1 A 153 153 PRO CA C 153 63.147 63.201 -0.054 1
1 1864 . 12 1 1 A 153 153 PRO HA H 153 4.425 4.340 0.085 1
1 1865 . 12 1 1 A 153 153 PRO CB C 153 32.149 32.353 -0.204 1
1 1874 . 12 1 1 A 153 153 PRO C C 153 176.656 177.106 -0.450 1
1 1875 . 12 1 1 A 154 154 ASP N N 154 120.420 121.812 -1.392 1
1 1876 . 12 1 1 A 154 154 ASP H H 154 8.463 9.033 -0.570 1
1 1877 . 12 1 1 A 154 154 ASP CA C 154 54.429 54.925 -0.496 1
1 1878 . 12 1 1 A 154 154 ASP HA H 154 4.575 4.254 0.321 1
1 1879 . 12 1 1 A 154 154 ASP CB C 154 40.979 39.239 1.740 1
1 1882 . 12 1 1 A 154 154 ASP C C 154 176.163 175.973 0.190 1
1 1883 . 12 1 1 A 155 155 LEU N N 155 123.563 120.723 2.840 1
1 1884 . 12 1 1 A 155 155 LEU H H 155 8.266 7.821 0.445 1
1 1885 . 12 1 1 A 155 155 LEU CA C 155 55.022 56.505 -1.483 1
1 1886 . 12 1 1 A 155 155 LEU HA H 155 4.358 4.097 0.261 1
1 1887 . 12 1 1 A 155 155 LEU CB C 155 42.157 42.056 0.101 1
1 1900 . 12 1 1 A 155 155 LEU C C 155 176.990 176.703 0.287 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.655 56.212 2.443 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.501 4.969 -0.468 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.644 65.453 -1.809 1
1 6 . 13 1 1 A 6 6 SER C C 6 175.063 174.937 0.126 1
1 7 . 13 1 1 A 7 7 GLY N N 7 111.113 110.398 0.715 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.473 8.710 -0.237 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.373 46.751 -1.378 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 3.967 3.896 0.071 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 3.967 3.897 0.070 1
1 12 . 13 1 1 A 7 7 GLY C C 7 173.934 174.672 -0.738 1
1 13 . 13 1 1 A 8 8 ALA N N 8 123.788 128.803 -5.015 1
1 14 . 13 1 1 A 8 8 ALA H H 8 8.197 8.549 -0.352 1
1 15 . 13 1 1 A 8 8 ALA CA C 8 52.548 51.308 1.240 1
1 16 . 13 1 1 A 8 8 ALA HA H 8 4.342 4.476 -0.134 1
1 17 . 13 1 1 A 8 8 ALA CB C 8 19.403 18.937 0.466 1
1 21 . 13 1 1 A 8 8 ALA C C 8 177.902 177.119 0.783 1
1 22 . 13 1 1 A 9 9 GLU N N 9 120.004 119.480 0.524 1
1 23 . 13 1 1 A 9 9 GLU H H 9 8.524 7.677 0.847 1
1 24 . 13 1 1 A 9 9 GLU CA C 9 56.763 55.424 1.339 1
1 25 . 13 1 1 A 9 9 GLU HA H 9 4.308 4.536 -0.228 1
1 26 . 13 1 1 A 9 9 GLU CB C 9 30.161 28.970 1.191 1
1 32 . 13 1 1 A 9 9 GLU C C 9 176.646 175.175 1.471 1
1 33 . 13 1 1 A 10 10 SER N N 10 116.268 122.604 -6.336 1
1 34 . 13 1 1 A 10 10 SER H H 10 8.305 8.254 0.051 1
1 35 . 13 1 1 A 10 10 SER CA C 10 58.426 59.132 -0.706 1
1 36 . 13 1 1 A 10 10 SER HA H 10 4.429 4.816 -0.387 1
1 37 . 13 1 1 A 10 10 SER CB C 10 63.933 63.924 0.009 1
1 40 . 13 1 1 A 10 10 SER C C 10 174.267 174.331 -0.064 1
1 41 . 13 1 1 A 11 11 GLU N N 11 122.435 126.252 -3.817 1
1 42 . 13 1 1 A 11 11 GLU H H 11 8.368 8.552 -0.184 1
1 43 . 13 1 1 A 11 11 GLU CA C 11 56.233 55.190 1.043 1
1 44 . 13 1 1 A 11 11 GLU HA H 11 4.367 4.734 -0.367 1
1 45 . 13 1 1 A 11 11 GLU CB C 11 30.692 30.862 -0.170 1
1 51 . 13 1 1 A 11 11 GLU C C 11 175.800 176.211 -0.411 1
1 52 . 13 1 1 A 12 12 SER N N 12 116.596 117.635 -1.039 1
1 53 . 13 1 1 A 12 12 SER H H 12 8.299 8.621 -0.322 1
1 54 . 13 1 1 A 12 12 SER CA C 12 58.355 57.093 1.262 1
1 55 . 13 1 1 A 12 12 SER HA H 12 4.457 5.016 -0.559 1
1 56 . 13 1 1 A 12 12 SER CB C 12 64.573 65.109 -0.536 1
1 59 . 13 1 1 A 12 12 SER C C 12 173.309 172.979 0.330 1
1 60 . 13 1 1 A 13 13 PHE N N 13 121.293 120.142 1.151 1
1 61 . 13 1 1 A 13 13 PHE H H 13 8.346 8.992 -0.646 1
1 62 . 13 1 1 A 13 13 PHE CA C 13 56.851 56.422 0.429 1
1 63 . 13 1 1 A 13 13 PHE HA H 13 5.384 5.362 0.022 1
1 64 . 13 1 1 A 13 13 PHE CB C 13 42.542 42.911 -0.369 1
1 77 . 13 1 1 A 13 13 PHE C C 13 174.500 174.934 -0.434 1
1 78 . 13 1 1 A 14 14 VAL N N 14 116.020 115.707 0.313 1
1 79 . 13 1 1 A 14 14 VAL H H 14 9.313 8.961 0.352 1
1 80 . 13 1 1 A 14 14 VAL CA C 14 60.141 59.292 0.849 1
1 81 . 13 1 1 A 14 14 VAL HA H 14 4.455 5.011 -0.556 1
1 82 . 13 1 1 A 14 14 VAL CB C 14 36.318 36.378 -0.060 1
1 92 . 13 1 1 A 14 14 VAL C C 14 174.668 174.988 -0.320 1
1 93 . 13 1 1 A 15 15 LEU N N 15 121.725 121.498 0.227 1
1 94 . 13 1 1 A 15 15 LEU H H 15 8.476 8.582 -0.106 1
1 95 . 13 1 1 A 15 15 LEU CA C 15 54.800 52.709 2.091 1
1 96 . 13 1 1 A 15 15 LEU HA H 15 4.403 4.856 -0.453 1
1 97 . 13 1 1 A 15 15 LEU CB C 15 39.816 43.422 -3.606 1
1 110 . 13 1 1 A 15 15 LEU C C 15 177.001 176.218 0.783 1
1 111 . 13 1 1 A 16 16 ASP N N 16 126.576 124.761 1.815 1
1 112 . 13 1 1 A 16 16 ASP H H 16 8.766 8.440 0.326 1
1 113 . 13 1 1 A 16 16 ASP CA C 16 52.828 53.283 -0.455 1
1 114 . 13 1 1 A 16 16 ASP HA H 16 5.081 4.755 0.326 1
1 115 . 13 1 1 A 16 16 ASP CB C 16 42.268 40.710 1.558 1
1 118 . 13 1 1 A 16 16 ASP C C 16 174.640 175.398 -0.758 1
1 119 . 13 1 1 A 17 17 PHE N N 17 112.958 117.460 -4.502 1
1 120 . 13 1 1 A 17 17 PHE H H 17 6.915 6.991 -0.076 1
1 121 . 13 1 1 A 17 17 PHE CA C 17 55.489 56.040 -0.551 1
1 122 . 13 1 1 A 17 17 PHE HA H 17 4.938 5.199 -0.261 1
1 123 . 13 1 1 A 17 17 PHE CB C 17 39.154 41.769 -2.615 1
1 136 . 13 1 1 A 17 17 PHE C C 17 173.746 172.928 0.818 1
1 137 . 13 1 1 A 18 18 SER N N 18 114.977 117.454 -2.477 1
1 138 . 13 1 1 A 18 18 SER H H 18 8.569 8.957 -0.388 1
1 139 . 13 1 1 A 18 18 SER CA C 18 57.046 58.731 -1.685 1
1 140 . 13 1 1 A 18 18 SER HA H 18 4.670 4.777 -0.107 1
1 141 . 13 1 1 A 18 18 SER CB C 18 63.974 63.782 0.192 1
1 144 . 13 1 1 A 18 18 SER C C 18 175.437 174.717 0.720 1
1 145 . 13 1 1 A 19 19 GLN N N 19 123.586 124.349 -0.763 1
1 146 . 13 1 1 A 19 19 GLN H H 19 9.033 8.500 0.533 1
1 147 . 13 1 1 A 19 19 GLN CA C 19 54.023 55.108 -1.085 1
1 148 . 13 1 1 A 19 19 GLN HA H 19 4.558 4.452 0.106 1
1 149 . 13 1 1 A 19 19 GLN CB C 19 27.994 28.405 -0.411 1
1 158 . 13 1 1 A 19 19 GLN C C 19 177.642 176.387 1.255 1
1 159 . 13 1 1 A 20 20 PRO CA C 20 65.836 65.041 0.795 1
1 160 . 13 1 1 A 20 20 PRO HA H 20 4.370 4.475 -0.105 1
1 161 . 13 1 1 A 20 20 PRO CB C 20 32.556 32.309 0.247 1
1 170 . 13 1 1 A 20 20 PRO C C 20 178.374 178.387 -0.013 1
1 171 . 13 1 1 A 21 21 SER N N 21 104.386 112.472 -8.086 1
1 172 . 13 1 1 A 21 21 SER H H 21 7.216 7.974 -0.758 1
1 173 . 13 1 1 A 21 21 SER CA C 21 58.886 61.213 -2.327 1
1 174 . 13 1 1 A 21 21 SER HA H 21 3.271 3.852 -0.581 1
1 175 . 13 1 1 A 21 21 SER CB C 21 62.401 62.180 0.221 1
1 178 . 13 1 1 A 21 21 SER C C 21 174.423 176.795 -2.372 1
1 179 . 13 1 1 A 22 22 ALA N N 22 123.008 123.101 -0.093 1
1 180 . 13 1 1 A 22 22 ALA H H 22 7.700 7.869 -0.169 1
1 181 . 13 1 1 A 22 22 ALA CA C 22 53.968 55.539 -1.571 1
1 182 . 13 1 1 A 22 22 ALA HA H 22 4.198 4.076 0.122 1
1 183 . 13 1 1 A 22 22 ALA CB C 22 18.504 18.989 -0.485 1
1 187 . 13 1 1 A 22 22 ALA C C 22 177.624 177.606 0.018 1
1 188 . 13 1 1 A 23 23 ASP N N 23 117.789 117.933 -0.144 1
1 189 . 13 1 1 A 23 23 ASP H H 23 7.080 7.953 -0.873 1
1 190 . 13 1 1 A 23 23 ASP CA C 23 52.151 53.373 -1.222 1
1 191 . 13 1 1 A 23 23 ASP HA H 23 4.893 4.931 -0.038 1
1 192 . 13 1 1 A 23 23 ASP CB C 23 40.592 41.129 -0.537 1
1 195 . 13 1 1 A 23 23 ASP C C 23 175.032 175.974 -0.942 1
1 196 . 13 1 1 A 24 24 TYR N N 24 123.295 126.692 -3.397 1
1 197 . 13 1 1 A 24 24 TYR H H 24 8.217 8.963 -0.746 1
1 198 . 13 1 1 A 24 24 TYR CA C 24 61.711 61.585 0.126 1
1 199 . 13 1 1 A 24 24 TYR HA H 24 4.196 4.081 0.115 1
1 200 . 13 1 1 A 24 24 TYR CB C 24 38.456 38.934 -0.478 1
1 211 . 13 1 1 A 24 24 TYR C C 24 177.434 177.358 0.076 1
1 212 . 13 1 1 A 25 25 LEU N N 25 119.429 121.098 -1.669 1
1 213 . 13 1 1 A 25 25 LEU H H 25 8.074 8.462 -0.388 1
1 214 . 13 1 1 A 25 25 LEU CA C 25 57.691 58.441 -0.750 1
1 215 . 13 1 1 A 25 25 LEU HA H 25 3.967 3.975 -0.008 1
1 216 . 13 1 1 A 25 25 LEU CB C 25 41.388 41.364 0.024 1
1 229 . 13 1 1 A 25 25 LEU C C 25 178.768 178.468 0.300 1
1 230 . 13 1 1 A 26 26 ASP N N 26 119.881 118.821 1.060 1
1 231 . 13 1 1 A 26 26 ASP H H 26 7.561 8.336 -0.775 1
1 232 . 13 1 1 A 26 26 ASP CA C 26 57.625 56.805 0.820 1
1 233 . 13 1 1 A 26 26 ASP HA H 26 4.367 4.436 -0.069 1
1 234 . 13 1 1 A 26 26 ASP CB C 26 42.955 41.377 1.578 1
1 237 . 13 1 1 A 26 26 ASP C C 26 177.657 178.374 -0.717 1
1 238 . 13 1 1 A 27 27 PHE N N 27 118.946 120.532 -1.586 1
1 239 . 13 1 1 A 27 27 PHE H H 27 8.750 8.170 0.580 1
1 240 . 13 1 1 A 27 27 PHE CA C 27 61.323 61.147 0.176 1
1 241 . 13 1 1 A 27 27 PHE HA H 27 4.088 4.144 -0.056 1
1 242 . 13 1 1 A 27 27 PHE CB C 27 39.606 39.538 0.068 1
1 255 . 13 1 1 A 27 27 PHE C C 27 176.662 177.176 -0.514 1
1 256 . 13 1 1 A 28 28 ARG N N 28 116.744 118.451 -1.707 1
1 257 . 13 1 1 A 28 28 ARG H H 28 8.079 8.327 -0.248 1
1 258 . 13 1 1 A 28 28 ARG CA C 28 59.051 58.678 0.373 1
1 259 . 13 1 1 A 28 28 ARG HA H 28 3.590 3.984 -0.394 1
1 260 . 13 1 1 A 28 28 ARG CB C 28 29.516 30.027 -0.511 1
1 269 . 13 1 1 A 28 28 ARG C C 28 179.306 178.115 1.191 1
1 270 . 13 1 1 A 29 29 ASN N N 29 119.381 117.901 1.480 1
1 271 . 13 1 1 A 29 29 ASN H H 29 8.106 8.361 -0.255 1
1 272 . 13 1 1 A 29 29 ASN CA C 29 55.861 55.752 0.109 1
1 273 . 13 1 1 A 29 29 ASN HA H 29 4.361 4.414 -0.053 1
1 274 . 13 1 1 A 29 29 ASN CB C 29 37.622 38.069 -0.447 1
1 280 . 13 1 1 A 29 29 ASN C C 29 178.555 178.382 0.173 1
1 281 . 13 1 1 A 30 30 ARG N N 30 123.244 119.846 3.398 1
1 282 . 13 1 1 A 30 30 ARG H H 30 8.640 8.087 0.553 1
1 283 . 13 1 1 A 30 30 ARG CA C 30 59.708 58.409 1.299 1
1 284 . 13 1 1 A 30 30 ARG HA H 30 3.912 3.971 -0.059 1
1 285 . 13 1 1 A 30 30 ARG CB C 30 30.910 29.728 1.182 1
1 296 . 13 1 1 A 30 30 ARG C C 30 178.651 178.184 0.467 1
1 297 . 13 1 1 A 31 31 LEU N N 31 119.911 121.332 -1.421 1
1 298 . 13 1 1 A 31 31 LEU H H 31 7.988 7.343 0.645 1
1 299 . 13 1 1 A 31 31 LEU CA C 31 58.049 56.392 1.657 1
1 300 . 13 1 1 A 31 31 LEU HA H 31 3.409 3.903 -0.494 1
1 301 . 13 1 1 A 31 31 LEU CB C 31 41.342 41.534 -0.192 1
1 314 . 13 1 1 A 31 31 LEU C C 31 178.698 177.877 0.821 1
1 315 . 13 1 1 A 32 32 GLN N N 32 114.904 118.101 -3.197 1
1 316 . 13 1 1 A 32 32 GLN H H 32 7.416 7.542 -0.126 1
1 317 . 13 1 1 A 32 32 GLN CA C 32 58.019 56.926 1.093 1
1 318 . 13 1 1 A 32 32 GLN HA H 32 3.891 4.253 -0.362 1
1 319 . 13 1 1 A 32 32 GLN CB C 32 28.679 29.564 -0.885 1
1 328 . 13 1 1 A 32 32 GLN C C 32 176.457 176.853 -0.396 1
1 329 . 13 1 1 A 33 33 ALA N N 33 119.088 121.022 -1.934 1
1 330 . 13 1 1 A 33 33 ALA H H 33 7.791 7.550 0.241 1
1 331 . 13 1 1 A 33 33 ALA CA C 33 54.057 53.208 0.849 1
1 332 . 13 1 1 A 33 33 ALA HA H 33 4.099 4.115 -0.016 1
1 333 . 13 1 1 A 33 33 ALA CB C 33 19.921 19.218 0.703 1
1 337 . 13 1 1 A 33 33 ALA C C 33 178.303 177.458 0.845 1
1 338 . 13 1 1 A 34 34 ASP N N 34 115.377 116.646 -1.269 1
1 339 . 13 1 1 A 34 34 ASP H H 34 8.662 7.730 0.932 1
1 340 . 13 1 1 A 34 34 ASP CA C 34 55.153 53.446 1.707 1
1 341 . 13 1 1 A 34 34 ASP HA H 34 4.698 4.637 0.061 1
1 342 . 13 1 1 A 34 34 ASP CB C 34 41.976 41.321 0.655 1
1 345 . 13 1 1 A 34 34 ASP C C 34 177.531 175.332 2.199 1
1 346 . 13 1 1 A 35 35 HIS N N 35 108.110 116.056 -7.946 1
1 347 . 13 1 1 A 35 35 HIS H H 35 7.018 7.698 -0.680 1
1 348 . 13 1 1 A 35 35 HIS CA C 35 58.336 56.837 1.499 1
1 349 . 13 1 1 A 35 35 HIS HA H 35 4.543 4.355 0.188 1
1 350 . 13 1 1 A 35 35 HIS CB C 35 26.472 26.564 -0.092 1
1 357 . 13 1 1 A 35 35 HIS C C 35 171.507 173.309 -1.802 1
1 358 . 13 1 1 A 36 36 VAL N N 36 115.529 116.605 -1.076 1
1 359 . 13 1 1 A 36 36 VAL H H 36 7.065 7.366 -0.301 1
1 360 . 13 1 1 A 36 36 VAL CA C 36 58.549 60.664 -2.115 1
1 361 . 13 1 1 A 36 36 VAL HA H 36 4.867 4.425 0.442 1
1 362 . 13 1 1 A 36 36 VAL CB C 36 33.135 34.198 -1.063 1
1 372 . 13 1 1 A 36 36 VAL C C 36 171.953 173.713 -1.760 1
1 373 . 13 1 1 A 37 37 CYS N N 37 124.685 124.666 0.019 1
1 374 . 13 1 1 A 37 37 CYS H H 37 8.694 8.376 0.318 1
1 375 . 13 1 1 A 37 37 CYS CA C 37 59.979 58.517 1.462 1
1 376 . 13 1 1 A 37 37 CYS HA H 37 4.594 4.883 -0.289 1
1 377 . 13 1 1 A 37 37 CYS CB C 37 29.016 31.439 -2.423 1
1 380 . 13 1 1 A 37 37 CYS C C 37 173.445 173.022 0.423 1
1 381 . 13 1 1 A 38 38 LEU N N 38 132.291 127.965 4.326 1
1 382 . 13 1 1 A 38 38 LEU H H 38 9.625 8.796 0.829 1
1 383 . 13 1 1 A 38 38 LEU CA C 38 57.958 55.838 2.120 1
1 384 . 13 1 1 A 38 38 LEU HA H 38 4.167 4.477 -0.310 1
1 385 . 13 1 1 A 38 38 LEU CB C 38 42.189 42.801 -0.612 1
1 398 . 13 1 1 A 38 38 LEU C C 38 173.188 177.310 -4.122 1
1 399 . 13 1 1 A 39 39 GLU N N 39 127.988 128.208 -0.220 1
1 400 . 13 1 1 A 39 39 GLU H H 39 9.267 9.236 0.031 1
1 401 . 13 1 1 A 39 39 GLU CA C 39 57.435 58.442 -1.007 1
1 402 . 13 1 1 A 39 39 GLU HA H 39 4.521 4.271 0.250 1
1 403 . 13 1 1 A 39 39 GLU CB C 39 31.891 30.285 1.606 1
1 409 . 13 1 1 A 39 39 GLU C C 39 175.300 176.382 -1.082 1
1 410 . 13 1 1 A 40 40 ASN N N 40 115.109 113.236 1.873 1
1 411 . 13 1 1 A 40 40 ASN H H 40 7.757 7.818 -0.061 1
1 412 . 13 1 1 A 40 40 ASN CA C 40 52.151 51.530 0.621 1
1 413 . 13 1 1 A 40 40 ASN HA H 40 5.353 5.345 0.008 1
1 414 . 13 1 1 A 40 40 ASN CB C 40 43.324 41.895 1.429 1
1 420 . 13 1 1 A 40 40 ASN C C 40 173.918 173.354 0.564 1
1 421 . 13 1 1 A 41 41 CYS N N 41 120.861 119.971 0.890 1
1 422 . 13 1 1 A 41 41 CYS H H 41 9.646 9.131 0.515 1
1 423 . 13 1 1 A 41 41 CYS CA C 41 58.934 57.228 1.706 1
1 424 . 13 1 1 A 41 41 CYS HA H 41 5.167 5.261 -0.094 1
1 425 . 13 1 1 A 41 41 CYS CB C 41 30.293 29.989 0.304 1
1 428 . 13 1 1 A 41 41 CYS C C 41 171.600 173.730 -2.130 1
1 429 . 13 1 1 A 42 42 VAL N N 42 126.721 123.549 3.172 1
1 430 . 13 1 1 A 42 42 VAL H H 42 9.532 9.063 0.469 1
1 431 . 13 1 1 A 42 42 VAL CA C 42 60.463 60.198 0.265 1
1 432 . 13 1 1 A 42 42 VAL HA H 42 4.454 4.974 -0.520 1
1 433 . 13 1 1 A 42 42 VAL CB C 42 35.496 34.034 1.462 1
1 443 . 13 1 1 A 42 42 VAL C C 42 173.645 174.245 -0.600 1
1 444 . 13 1 1 A 43 43 LEU N N 43 127.183 123.936 3.247 1
1 445 . 13 1 1 A 43 43 LEU H H 43 8.597 8.681 -0.084 1
1 446 . 13 1 1 A 43 43 LEU CA C 43 54.209 53.695 0.514 1
1 447 . 13 1 1 A 43 43 LEU HA H 43 5.050 5.084 -0.034 1
1 448 . 13 1 1 A 43 43 LEU CB C 43 43.450 45.968 -2.518 1
1 461 . 13 1 1 A 43 43 LEU C C 43 176.151 174.625 1.526 1
1 462 . 13 1 1 A 44 44 LYS N N 44 127.086 124.900 2.186 1
1 463 . 13 1 1 A 44 44 LYS H H 44 8.726 9.225 -0.499 1
1 464 . 13 1 1 A 44 44 LYS CA C 44 55.033 54.195 0.838 1
1 465 . 13 1 1 A 44 44 LYS HA H 44 4.552 4.863 -0.311 1
1 466 . 13 1 1 A 44 44 LYS CB C 44 34.147 35.860 -1.713 1
1 478 . 13 1 1 A 44 44 LYS C C 44 175.176 176.203 -1.027 1
1 479 . 13 1 1 A 45 45 ASP N N 45 123.045 120.458 2.587 1
1 480 . 13 1 1 A 45 45 ASP H H 45 8.876 8.751 0.125 1
1 481 . 13 1 1 A 45 45 ASP CA C 45 56.515 55.062 1.453 1
1 482 . 13 1 1 A 45 45 ASP HA H 45 4.321 4.393 -0.072 1
1 483 . 13 1 1 A 45 45 ASP CB C 45 39.782 40.382 -0.600 1
1 486 . 13 1 1 A 45 45 ASP C C 45 175.339 176.520 -1.181 1
1 487 . 13 1 1 A 46 46 LYS N N 46 118.201 120.775 -2.574 1
1 488 . 13 1 1 A 46 46 LYS H H 46 8.620 9.113 -0.493 1
1 489 . 13 1 1 A 46 46 LYS CA C 46 56.158 57.280 -1.122 1
1 490 . 13 1 1 A 46 46 LYS HA H 46 4.079 3.875 0.204 1
1 491 . 13 1 1 A 46 46 LYS CB C 46 30.929 29.715 1.214 1
1 503 . 13 1 1 A 46 46 LYS C C 46 174.615 175.179 -0.564 1
1 504 . 13 1 1 A 47 47 ALA N N 47 121.283 117.769 3.514 1
1 505 . 13 1 1 A 47 47 ALA H H 47 7.611 7.133 0.478 1
1 506 . 13 1 1 A 47 47 ALA CA C 47 51.809 51.625 0.184 1
1 507 . 13 1 1 A 47 47 ALA HA H 47 5.105 4.919 0.186 1
1 508 . 13 1 1 A 47 47 ALA CB C 47 22.739 22.999 -0.260 1
1 512 . 13 1 1 A 47 47 ALA C C 47 175.508 175.141 0.367 1
1 513 . 13 1 1 A 48 48 ILE N N 48 114.639 114.647 -0.008 1
1 514 . 13 1 1 A 48 48 ILE H H 48 8.819 8.407 0.412 1
1 515 . 13 1 1 A 48 48 ILE CA C 48 59.017 59.390 -0.373 1
1 516 . 13 1 1 A 48 48 ILE HA H 48 5.230 5.068 0.162 1
1 517 . 13 1 1 A 48 48 ILE CB C 48 41.811 42.532 -0.721 1
1 530 . 13 1 1 A 48 48 ILE C C 48 172.954 174.056 -1.102 1
1 531 . 13 1 1 A 49 49 ALA N N 49 126.155 122.756 3.399 1
1 532 . 13 1 1 A 49 49 ALA H H 49 8.652 8.480 0.172 1
1 533 . 13 1 1 A 49 49 ALA CA C 49 50.095 50.992 -0.897 1
1 534 . 13 1 1 A 49 49 ALA HA H 49 4.769 5.052 -0.283 1
1 535 . 13 1 1 A 49 49 ALA CB C 49 22.651 23.117 -0.466 1
1 539 . 13 1 1 A 49 49 ALA C C 49 175.812 175.724 0.088 1
1 540 . 13 1 1 A 50 50 GLY N N 50 105.980 105.208 0.772 1
1 541 . 13 1 1 A 50 50 GLY H H 50 6.754 6.801 -0.047 1
1 542 . 13 1 1 A 50 50 GLY CA C 50 46.134 45.086 1.048 1
1 543 . 13 1 1 A 50 50 GLY HA2 H 50 3.803 3.830 -0.027 1
1 544 . 13 1 1 A 50 50 GLY HA3 H 50 4.077 3.952 0.125 1
1 545 . 13 1 1 A 50 50 GLY C C 50 172.510 172.059 0.451 1
1 546 . 13 1 1 A 51 51 THR N N 51 108.648 112.211 -3.563 1
1 547 . 13 1 1 A 51 51 THR H H 51 8.556 8.804 -0.248 1
1 548 . 13 1 1 A 51 51 THR CA C 51 59.116 60.330 -1.214 1
1 549 . 13 1 1 A 51 51 THR HA H 51 5.588 5.524 0.064 1
1 550 . 13 1 1 A 51 51 THR CB C 51 72.737 70.497 2.240 1
1 556 . 13 1 1 A 51 51 THR C C 51 174.087 173.883 0.204 1
1 557 . 13 1 1 A 52 52 VAL N N 52 122.025 126.292 -4.267 1
1 558 . 13 1 1 A 52 52 VAL H H 52 9.746 9.327 0.419 1
1 559 . 13 1 1 A 52 52 VAL CA C 52 61.371 61.234 0.137 1
1 560 . 13 1 1 A 52 52 VAL HA H 52 4.463 4.706 -0.243 1
1 561 . 13 1 1 A 52 52 VAL CB C 52 36.986 33.674 3.312 1
1 571 . 13 1 1 A 52 52 VAL C C 52 174.687 174.437 0.250 1
1 572 . 13 1 1 A 53 53 LYS N N 53 125.115 127.728 -2.613 1
1 573 . 13 1 1 A 53 53 LYS H H 53 8.567 8.915 -0.348 1
1 574 . 13 1 1 A 53 53 LYS CA C 53 53.668 54.879 -1.211 1
1 575 . 13 1 1 A 53 53 LYS HA H 53 5.599 5.209 0.390 1
1 576 . 13 1 1 A 53 53 LYS CB C 53 37.855 35.068 2.787 1
1 588 . 13 1 1 A 53 53 LYS C C 53 174.697 175.460 -0.763 1
1 589 . 13 1 1 A 54 54 VAL N N 54 110.661 118.578 -7.917 1
1 590 . 13 1 1 A 54 54 VAL H H 54 8.498 8.864 -0.366 1
1 591 . 13 1 1 A 54 54 VAL CA C 54 57.682 58.429 -0.747 1
1 592 . 13 1 1 A 54 54 VAL HA H 54 4.825 4.577 0.248 1
1 593 . 13 1 1 A 54 54 VAL CB C 54 34.634 35.546 -0.912 1
1 603 . 13 1 1 A 54 54 VAL C C 54 176.105 174.395 1.710 1
1 604 . 13 1 1 A 55 55 GLN N N 55 119.414 119.931 -0.517 1
1 605 . 13 1 1 A 55 55 GLN H H 55 7.924 8.341 -0.417 1
1 606 . 13 1 1 A 55 55 GLN CA C 55 56.023 54.105 1.918 1
1 607 . 13 1 1 A 55 55 GLN HA H 55 4.456 4.838 -0.382 1
1 608 . 13 1 1 A 55 55 GLN CB C 55 30.216 30.921 -0.705 1
1 617 . 13 1 1 A 55 55 GLN C C 55 176.800 175.070 1.730 1
1 618 . 13 1 1 A 56 56 ASN N N 56 125.676 122.539 3.137 1
1 619 . 13 1 1 A 56 56 ASN H H 56 8.837 8.655 0.182 1
1 620 . 13 1 1 A 56 56 ASN CA C 56 53.190 52.365 0.825 1
1 621 . 13 1 1 A 56 56 ASN HA H 56 4.575 4.760 -0.185 1
1 622 . 13 1 1 A 56 56 ASN CB C 56 36.855 37.494 -0.639 1
1 628 . 13 1 1 A 56 56 ASN C C 56 174.747 175.047 -0.300 1
1 629 . 13 1 1 A 57 57 LEU N N 57 124.779 127.549 -2.770 1
1 630 . 13 1 1 A 57 57 LEU H H 57 7.284 8.666 -1.382 1
1 631 . 13 1 1 A 57 57 LEU CA C 57 55.224 56.339 -1.115 1
1 632 . 13 1 1 A 57 57 LEU HA H 57 4.326 4.402 -0.076 1
1 633 . 13 1 1 A 57 57 LEU CB C 57 43.634 42.751 0.883 1
1 646 . 13 1 1 A 57 57 LEU C C 57 176.186 176.845 -0.659 1
1 647 . 13 1 1 A 58 58 ALA N N 58 119.342 120.267 -0.925 1
1 648 . 13 1 1 A 58 58 ALA H H 58 7.724 7.982 -0.258 1
1 649 . 13 1 1 A 58 58 ALA CA C 58 51.687 50.210 1.477 1
1 650 . 13 1 1 A 58 58 ALA HA H 58 4.343 4.783 -0.440 1
1 651 . 13 1 1 A 58 58 ALA CB C 58 21.122 21.265 -0.143 1
1 655 . 13 1 1 A 58 58 ALA C C 58 175.847 177.726 -1.879 1
1 656 . 13 1 1 A 59 59 PHE N N 59 118.235 120.755 -2.520 1
1 657 . 13 1 1 A 59 59 PHE H H 59 8.231 9.099 -0.868 1
1 658 . 13 1 1 A 59 59 PHE CA C 59 60.105 62.763 -2.658 1
1 659 . 13 1 1 A 59 59 PHE HA H 59 4.428 4.102 0.326 1
1 660 . 13 1 1 A 59 59 PHE CB C 59 40.386 39.709 0.677 1
1 673 . 13 1 1 A 59 59 PHE C C 59 176.670 174.687 1.983 1
1 674 . 13 1 1 A 60 60 GLU N N 60 120.295 116.152 4.143 1
1 675 . 13 1 1 A 60 60 GLU H H 60 8.482 7.991 0.491 1
1 676 . 13 1 1 A 60 60 GLU CA C 60 57.134 54.913 2.221 1
1 677 . 13 1 1 A 60 60 GLU HA H 60 4.306 4.845 -0.539 1
1 678 . 13 1 1 A 60 60 GLU CB C 60 29.569 33.119 -3.550 1
1 684 . 13 1 1 A 60 60 GLU C C 60 175.584 175.631 -0.047 1
1 685 . 13 1 1 A 61 61 LYS N N 61 123.512 118.641 4.871 1
1 686 . 13 1 1 A 61 61 LYS H H 61 8.377 9.118 -0.741 1
1 687 . 13 1 1 A 61 61 LYS CA C 61 55.939 54.688 1.251 1
1 688 . 13 1 1 A 61 61 LYS HA H 61 5.038 5.035 0.003 1
1 689 . 13 1 1 A 61 61 LYS CB C 61 37.890 37.138 0.752 1
1 701 . 13 1 1 A 61 61 LYS C C 61 175.510 174.107 1.403 1
1 702 . 13 1 1 A 62 62 THR N N 62 117.107 114.040 3.067 1
1 703 . 13 1 1 A 62 62 THR H H 62 8.285 8.366 -0.081 1
1 704 . 13 1 1 A 62 62 THR CA C 62 62.340 61.571 0.769 1
1 705 . 13 1 1 A 62 62 THR HA H 62 4.435 4.845 -0.410 1
1 706 . 13 1 1 A 62 62 THR CB C 62 71.605 70.836 0.769 1
1 712 . 13 1 1 A 62 62 THR C C 62 172.156 173.090 -0.934 1
1 713 . 13 1 1 A 63 63 VAL N N 63 128.402 127.855 0.547 1
1 714 . 13 1 1 A 63 63 VAL H H 63 8.719 8.888 -0.169 1
1 715 . 13 1 1 A 63 63 VAL CA C 63 60.707 61.324 -0.617 1
1 716 . 13 1 1 A 63 63 VAL HA H 63 4.755 4.384 0.371 1
1 717 . 13 1 1 A 63 63 VAL CB C 63 35.210 32.079 3.131 1
1 727 . 13 1 1 A 63 63 VAL C C 63 174.313 175.673 -1.360 1
1 728 . 13 1 1 A 64 64 LYS N N 64 123.629 125.808 -2.179 1
1 729 . 13 1 1 A 64 64 LYS H H 64 8.519 8.314 0.205 1
1 730 . 13 1 1 A 64 64 LYS CA C 64 54.850 54.553 0.297 1
1 731 . 13 1 1 A 64 64 LYS HA H 64 4.997 4.964 0.033 1
1 732 . 13 1 1 A 64 64 LYS CB C 64 37.343 36.365 0.978 1
1 744 . 13 1 1 A 64 64 LYS C C 64 173.348 175.448 -2.100 1
1 745 . 13 1 1 A 65 65 ILE N N 65 119.250 123.650 -4.400 1
1 746 . 13 1 1 A 65 65 ILE H H 65 8.637 8.472 0.165 1
1 747 . 13 1 1 A 65 65 ILE CA C 65 57.894 60.310 -2.416 1
1 748 . 13 1 1 A 65 65 ILE HA H 65 4.451 4.546 -0.095 1
1 749 . 13 1 1 A 65 65 ILE CB C 65 37.638 38.064 -0.426 1
1 762 . 13 1 1 A 65 65 ILE C C 65 174.893 175.383 -0.490 1
1 763 . 13 1 1 A 66 66 ARG N N 66 130.193 127.863 2.330 1
1 764 . 13 1 1 A 66 66 ARG H H 66 9.244 8.812 0.432 1
1 765 . 13 1 1 A 66 66 ARG CA C 66 55.930 55.043 0.887 1
1 766 . 13 1 1 A 66 66 ARG HA H 66 5.440 4.938 0.502 1
1 767 . 13 1 1 A 66 66 ARG CB C 66 31.514 31.074 0.440 1
1 778 . 13 1 1 A 66 66 ARG C C 66 174.161 174.815 -0.654 1
1 779 . 13 1 1 A 67 67 MET N N 67 128.046 125.243 2.803 1
1 780 . 13 1 1 A 67 67 MET H H 67 9.343 9.401 -0.058 1
1 781 . 13 1 1 A 67 67 MET CA C 67 54.217 53.870 0.347 1
1 782 . 13 1 1 A 67 67 MET HA H 67 5.318 5.132 0.186 1
1 783 . 13 1 1 A 67 67 MET CB C 67 37.533 35.567 1.966 1
1 793 . 13 1 1 A 67 67 MET C C 67 173.432 174.015 -0.583 1
1 794 . 13 1 1 A 68 68 THR N N 68 118.404 116.178 2.226 1
1 795 . 13 1 1 A 68 68 THR H H 68 8.474 8.481 -0.007 1
1 796 . 13 1 1 A 68 68 THR CA C 68 58.903 59.544 -0.641 1
1 797 . 13 1 1 A 68 68 THR HA H 68 3.948 4.919 -0.971 1
1 798 . 13 1 1 A 68 68 THR CB C 68 71.091 70.913 0.178 1
1 804 . 13 1 1 A 68 68 THR C C 68 170.783 172.635 -1.852 1
1 805 . 13 1 1 A 69 69 PHE N N 69 124.029 124.036 -0.007 1
1 806 . 13 1 1 A 69 69 PHE H H 69 8.910 9.265 -0.355 1
1 807 . 13 1 1 A 69 69 PHE CA C 69 55.772 57.479 -1.707 1
1 808 . 13 1 1 A 69 69 PHE HA H 69 4.783 4.686 0.097 1
1 809 . 13 1 1 A 69 69 PHE CB C 69 39.748 39.849 -0.101 1
1 822 . 13 1 1 A 69 69 PHE C C 69 174.951 175.265 -0.314 1
1 823 . 13 1 1 A 70 70 ASP N N 70 121.457 119.301 2.156 1
1 824 . 13 1 1 A 70 70 ASP H H 70 8.841 7.241 1.600 1
1 825 . 13 1 1 A 70 70 ASP CA C 70 52.288 53.070 -0.782 1
1 826 . 13 1 1 A 70 70 ASP HA H 70 4.661 4.979 -0.318 1
1 827 . 13 1 1 A 70 70 ASP CB C 70 40.026 41.581 -1.555 1
1 830 . 13 1 1 A 70 70 ASP C C 70 177.065 175.427 1.638 1
1 831 . 13 1 1 A 71 71 THR N N 71 114.661 109.581 5.080 1
1 832 . 13 1 1 A 71 71 THR H H 71 8.724 8.359 0.365 1
1 833 . 13 1 1 A 71 71 THR CA C 71 63.824 63.115 0.709 1
1 834 . 13 1 1 A 71 71 THR HA H 71 3.181 3.992 -0.811 1
1 835 . 13 1 1 A 71 71 THR CB C 71 66.535 66.835 -0.300 1
1 841 . 13 1 1 A 71 71 THR C C 71 173.648 174.066 -0.418 1
1 842 . 13 1 1 A 72 72 TRP N N 72 111.097 113.344 -2.247 1
1 843 . 13 1 1 A 72 72 TRP H H 72 8.854 7.976 0.878 1
1 844 . 13 1 1 A 72 72 TRP CA C 72 58.910 58.116 0.794 1
1 845 . 13 1 1 A 72 72 TRP HA H 72 3.951 4.347 -0.396 1
1 846 . 13 1 1 A 72 72 TRP CB C 72 24.332 26.365 -2.033 1
1 861 . 13 1 1 A 72 72 TRP C C 72 176.875 176.289 0.586 1
1 862 . 13 1 1 A 73 73 LYS N N 73 124.701 117.592 7.109 1
1 863 . 13 1 1 A 73 73 LYS H H 73 7.785 8.327 -0.542 1
1 864 . 13 1 1 A 73 73 LYS CA C 73 60.463 56.598 3.865 1
1 865 . 13 1 1 A 73 73 LYS HA H 73 4.174 4.540 -0.366 1
1 866 . 13 1 1 A 73 73 LYS CB C 73 31.024 35.309 -4.285 1
1 878 . 13 1 1 A 73 73 LYS C C 73 177.622 176.877 0.745 1
1 879 . 13 1 1 A 74 74 SER N N 74 117.041 112.844 4.197 1
1 880 . 13 1 1 A 74 74 SER H H 74 10.002 7.901 2.101 1
1 881 . 13 1 1 A 74 74 SER CA C 74 57.539 56.757 0.782 1
1 882 . 13 1 1 A 74 74 SER HA H 74 4.556 4.699 -0.143 1
1 883 . 13 1 1 A 74 74 SER CB C 74 66.372 62.774 3.598 1
1 886 . 13 1 1 A 74 74 SER C C 74 171.956 172.282 -0.326 1
1 887 . 13 1 1 A 75 75 TYR N N 75 113.320 123.227 -9.907 1
1 888 . 13 1 1 A 75 75 TYR H H 75 7.735 8.438 -0.703 1
1 889 . 13 1 1 A 75 75 TYR CA C 75 57.155 55.377 1.778 1
1 890 . 13 1 1 A 75 75 TYR HA H 75 5.229 5.800 -0.571 1
1 891 . 13 1 1 A 75 75 TYR CB C 75 40.745 42.007 -1.262 1
1 902 . 13 1 1 A 75 75 TYR C C 75 174.262 174.644 -0.382 1
1 903 . 13 1 1 A 76 76 THR N N 76 117.158 115.271 1.887 1
1 904 . 13 1 1 A 76 76 THR H H 76 9.212 8.977 0.235 1
1 905 . 13 1 1 A 76 76 THR CA C 76 62.104 61.085 1.019 1
1 906 . 13 1 1 A 76 76 THR HA H 76 4.318 4.760 -0.442 1
1 907 . 13 1 1 A 76 76 THR CB C 76 72.675 71.089 1.586 1
1 913 . 13 1 1 A 76 76 THR C C 76 171.344 172.651 -1.307 1
1 914 . 13 1 1 A 77 77 ASP N N 77 125.875 125.750 0.125 1
1 915 . 13 1 1 A 77 77 ASP H H 77 8.569 8.717 -0.148 1
1 916 . 13 1 1 A 77 77 ASP CA C 77 52.422 54.425 -2.003 1
1 917 . 13 1 1 A 77 77 ASP HA H 77 5.865 4.859 1.006 1
1 918 . 13 1 1 A 77 77 ASP CB C 77 41.512 41.556 -0.044 1
1 921 . 13 1 1 A 77 77 ASP C C 77 175.921 175.474 0.447 1
1 922 . 13 1 1 A 78 78 PHE N N 78 125.666 122.389 3.277 1
1 923 . 13 1 1 A 78 78 PHE H H 78 9.992 8.149 1.843 1
1 924 . 13 1 1 A 78 78 PHE CA C 78 55.578 55.569 0.009 1
1 925 . 13 1 1 A 78 78 PHE HA H 78 4.943 4.967 -0.024 1
1 926 . 13 1 1 A 78 78 PHE CB C 78 40.375 40.298 0.077 1
1 939 . 13 1 1 A 78 78 PHE C C 78 173.610 174.096 -0.486 1
1 940 . 13 1 1 A 79 79 PRO CA C 79 63.363 63.155 0.208 1
1 941 . 13 1 1 A 79 79 PRO HA H 79 4.615 4.639 -0.024 1
1 942 . 13 1 1 A 79 79 PRO CB C 79 32.787 32.413 0.374 1
1 951 . 13 1 1 A 79 79 PRO C C 79 176.681 176.998 -0.317 1
1 952 . 13 1 1 A 80 80 CYS N N 80 117.289 122.294 -5.005 1
1 953 . 13 1 1 A 80 80 CYS H H 80 8.308 8.136 0.172 1
1 954 . 13 1 1 A 80 80 CYS CA C 80 57.675 59.893 -2.218 1
1 955 . 13 1 1 A 80 80 CYS HA H 80 5.242 5.132 0.110 1
1 956 . 13 1 1 A 80 80 CYS CB C 80 30.658 28.785 1.873 1
1 959 . 13 1 1 A 80 80 CYS C C 80 174.899 175.230 -0.331 1
1 960 . 13 1 1 A 81 81 GLN N N 81 122.188 123.018 -0.830 1
1 961 . 13 1 1 A 81 81 GLN H H 81 9.312 9.064 0.248 1
1 962 . 13 1 1 A 81 81 GLN CA C 81 54.620 55.037 -0.417 1
1 963 . 13 1 1 A 81 81 GLN HA H 81 4.911 4.830 0.081 1
1 964 . 13 1 1 A 81 81 GLN CB C 81 31.213 31.196 0.017 1
1 973 . 13 1 1 A 81 81 GLN C C 81 175.035 174.365 0.670 1
1 974 . 13 1 1 A 82 82 TYR N N 82 125.814 123.302 2.512 1
1 975 . 13 1 1 A 82 82 TYR H H 82 8.919 8.925 -0.006 1
1 976 . 13 1 1 A 82 82 TYR CA C 82 58.764 56.008 2.756 1
1 977 . 13 1 1 A 82 82 TYR HA H 82 3.403 5.185 -1.782 1
1 978 . 13 1 1 A 82 82 TYR CB C 82 38.346 41.617 -3.271 1
1 989 . 13 1 1 A 82 82 TYR C C 82 175.413 173.852 1.561 1
1 990 . 13 1 1 A 83 83 VAL N N 83 129.316 126.737 2.579 1
1 991 . 13 1 1 A 83 83 VAL H H 83 7.782 8.568 -0.786 1
1 992 . 13 1 1 A 83 83 VAL CA C 83 61.693 61.934 -0.241 1
1 993 . 13 1 1 A 83 83 VAL HA H 83 3.758 4.545 -0.787 1
1 994 . 13 1 1 A 83 83 VAL CB C 83 32.564 32.090 0.474 1
1 1004 . 13 1 1 A 83 83 VAL C C 83 173.771 174.563 -0.792 1
1 1005 . 13 1 1 A 84 84 LYS N N 84 126.665 130.349 -3.684 1
1 1006 . 13 1 1 A 84 84 LYS H H 84 8.174 8.922 -0.748 1
1 1007 . 13 1 1 A 84 84 LYS CA C 84 56.144 55.067 1.077 1
1 1008 . 13 1 1 A 84 84 LYS HA H 84 4.016 5.139 -1.123 1
1 1009 . 13 1 1 A 84 84 LYS CB C 84 32.170 34.528 -2.358 1
1 1021 . 13 1 1 A 84 84 LYS C C 84 175.610 174.585 1.025 1
1 1022 . 13 1 1 A 85 85 ASP N N 85 124.262 125.612 -1.350 1
1 1023 . 13 1 1 A 85 85 ASP H H 85 7.864 8.532 -0.668 1
1 1024 . 13 1 1 A 85 85 ASP CA C 85 53.349 52.942 0.407 1
1 1025 . 13 1 1 A 85 85 ASP HA H 85 4.678 4.955 -0.277 1
1 1026 . 13 1 1 A 85 85 ASP CB C 85 41.683 44.190 -2.507 1
1 1029 . 13 1 1 A 85 85 ASP C C 85 176.841 175.893 0.948 1
1 1030 . 13 1 1 A 86 86 THR N N 86 113.656 117.802 -4.146 1
1 1031 . 13 1 1 A 86 86 THR H H 86 8.065 8.552 -0.487 1
1 1032 . 13 1 1 A 86 86 THR CA C 86 63.274 64.679 -1.405 1
1 1033 . 13 1 1 A 86 86 THR HA H 86 4.086 3.869 0.217 1
1 1034 . 13 1 1 A 86 86 THR CB C 86 69.257 68.537 0.720 1
1 1040 . 13 1 1 A 86 86 THR C C 86 174.589 175.196 -0.607 1
1 1041 . 13 1 1 A 87 87 TYR N N 87 120.837 117.957 2.880 1
1 1042 . 13 1 1 A 87 87 TYR H H 87 8.064 7.523 0.541 1
1 1043 . 13 1 1 A 87 87 TYR CA C 87 58.054 56.548 1.506 1
1 1044 . 13 1 1 A 87 87 TYR HA H 87 4.527 4.648 -0.121 1
1 1045 . 13 1 1 A 87 87 TYR CB C 87 38.297 36.068 2.229 1
1 1056 . 13 1 1 A 87 87 TYR C C 87 175.590 174.486 1.104 1
1 1057 . 13 1 1 A 88 88 ALA N N 88 125.226 121.842 3.384 1
1 1058 . 13 1 1 A 88 88 ALA H H 88 7.963 7.312 0.651 1
1 1059 . 13 1 1 A 88 88 ALA CA C 88 53.104 51.637 1.467 1
1 1060 . 13 1 1 A 88 88 ALA HA H 88 4.389 4.749 -0.360 1
1 1061 . 13 1 1 A 88 88 ALA CB C 88 19.127 22.911 -3.784 1
1 1065 . 13 1 1 A 88 88 ALA C C 88 178.497 175.990 2.507 1
1 1066 . 13 1 1 A 89 89 GLY N N 89 109.029 109.316 -0.287 1
1 1067 . 13 1 1 A 89 89 GLY H H 89 8.479 8.719 -0.240 1
1 1068 . 13 1 1 A 89 89 GLY CA C 89 45.426 45.608 -0.182 1
1 1069 . 13 1 1 A 89 89 GLY HA2 H 89 3.952 4.017 -0.065 1
1 1070 . 13 1 1 A 89 89 GLY HA3 H 89 4.079 4.022 0.057 1
1 1071 . 13 1 1 A 89 89 GLY C C 89 174.563 175.095 -0.532 1
1 1072 . 13 1 1 A 90 90 SER N N 90 115.638 120.238 -4.600 1
1 1073 . 13 1 1 A 90 90 SER H H 90 8.232 8.830 -0.598 1
1 1074 . 13 1 1 A 90 90 SER CA C 90 58.443 62.492 -4.049 1
1 1075 . 13 1 1 A 90 90 SER HA H 90 4.574 4.062 0.512 1
1 1076 . 13 1 1 A 90 90 SER CB C 90 63.865 62.833 1.032 1
1 1079 . 13 1 1 A 90 90 SER C C 90 174.212 176.238 -2.026 1
1 1080 . 13 1 1 A 91 91 ASP N N 91 120.185 120.558 -0.373 1
1 1081 . 13 1 1 A 91 91 ASP H H 91 8.691 8.208 0.483 1
1 1082 . 13 1 1 A 91 91 ASP CA C 91 55.012 57.080 -2.068 1
1 1083 . 13 1 1 A 91 91 ASP HA H 91 4.684 4.477 0.207 1
1 1084 . 13 1 1 A 91 91 ASP CB C 91 40.643 40.544 0.099 1
1 1087 . 13 1 1 A 91 91 ASP C C 91 176.350 177.358 -1.008 1
1 1088 . 13 1 1 A 92 92 ARG N N 92 119.690 117.760 1.930 1
1 1089 . 13 1 1 A 92 92 ARG H H 92 8.072 7.735 0.337 1
1 1090 . 13 1 1 A 92 92 ARG CA C 92 54.941 55.913 -0.972 1
1 1091 . 13 1 1 A 92 92 ARG HA H 92 5.022 4.346 0.676 1
1 1092 . 13 1 1 A 92 92 ARG CB C 92 32.816 31.072 1.744 1
1 1101 . 13 1 1 A 92 92 ARG C C 92 174.072 175.135 -1.063 1
1 1102 . 13 1 1 A 93 93 ASP N N 93 119.716 125.155 -5.439 1
1 1103 . 13 1 1 A 93 93 ASP H H 93 8.550 8.660 -0.110 1
1 1104 . 13 1 1 A 93 93 ASP CA C 93 53.411 54.090 -0.679 1
1 1105 . 13 1 1 A 93 93 ASP HA H 93 5.108 4.739 0.369 1
1 1106 . 13 1 1 A 93 93 ASP CB C 93 46.005 41.227 4.778 1
1 1109 . 13 1 1 A 93 93 ASP C C 93 174.776 175.125 -0.349 1
1 1110 . 13 1 1 A 94 94 THR N N 94 116.481 121.397 -4.916 1
1 1111 . 13 1 1 A 94 94 THR H H 94 8.932 8.398 0.534 1
1 1112 . 13 1 1 A 94 94 THR CA C 94 62.287 61.809 0.478 1
1 1113 . 13 1 1 A 94 94 THR HA H 94 5.232 4.680 0.552 1
1 1114 . 13 1 1 A 94 94 THR CB C 94 70.008 69.323 0.685 1
1 1120 . 13 1 1 A 94 94 THR C C 94 171.982 173.482 -1.500 1
1 1121 . 13 1 1 A 95 95 PHE N N 95 124.488 126.924 -2.436 1
1 1122 . 13 1 1 A 95 95 PHE H H 95 9.347 9.257 0.090 1
1 1123 . 13 1 1 A 95 95 PHE CA C 95 55.834 56.761 -0.927 1
1 1124 . 13 1 1 A 95 95 PHE HA H 95 5.321 4.914 0.407 1
1 1125 . 13 1 1 A 95 95 PHE CB C 95 43.478 41.935 1.543 1
1 1138 . 13 1 1 A 95 95 PHE C C 95 174.780 174.385 0.395 1
1 1139 . 13 1 1 A 96 96 SER N N 96 117.417 115.440 1.977 1
1 1140 . 13 1 1 A 96 96 SER H H 96 10.108 9.554 0.554 1
1 1141 . 13 1 1 A 96 96 SER CA C 96 56.388 55.886 0.502 1
1 1142 . 13 1 1 A 96 96 SER HA H 96 5.575 5.441 0.134 1
1 1143 . 13 1 1 A 96 96 SER CB C 96 67.188 66.938 0.250 1
1 1146 . 13 1 1 A 96 96 SER C C 96 173.079 172.490 0.589 1
1 1147 . 13 1 1 A 97 97 PHE N N 97 114.813 118.537 -3.724 1
1 1148 . 13 1 1 A 97 97 PHE H H 97 7.991 8.291 -0.300 1
1 1149 . 13 1 1 A 97 97 PHE CA C 97 56.003 56.187 -0.184 1
1 1150 . 13 1 1 A 97 97 PHE HA H 97 5.249 5.266 -0.017 1
1 1151 . 13 1 1 A 97 97 PHE CB C 97 42.008 41.765 0.243 1
1 1164 . 13 1 1 A 97 97 PHE C C 97 174.316 172.667 1.649 1
1 1165 . 13 1 1 A 98 98 ASP N N 98 121.809 119.674 2.135 1
1 1166 . 13 1 1 A 98 98 ASP H H 98 8.297 8.989 -0.692 1
1 1167 . 13 1 1 A 98 98 ASP CA C 98 54.789 52.585 2.204 1
1 1168 . 13 1 1 A 98 98 ASP HA H 98 5.006 5.424 -0.418 1
1 1169 . 13 1 1 A 98 98 ASP CB C 98 42.282 42.471 -0.189 1
1 1172 . 13 1 1 A 98 98 ASP C C 98 174.959 174.374 0.585 1
1 1173 . 13 1 1 A 99 99 ILE N N 99 126.714 126.206 0.508 1
1 1174 . 13 1 1 A 99 99 ILE H H 99 9.331 8.728 0.603 1
1 1175 . 13 1 1 A 99 99 ILE CA C 99 60.455 59.986 0.469 1
1 1176 . 13 1 1 A 99 99 ILE HA H 99 4.016 4.503 -0.487 1
1 1177 . 13 1 1 A 99 99 ILE CB C 99 42.110 40.110 2.000 1
1 1190 . 13 1 1 A 99 99 ILE C C 99 175.019 174.988 0.031 1
1 1191 . 13 1 1 A 100 100 SER N N 100 122.590 124.607 -2.017 1
1 1192 . 13 1 1 A 100 100 SER H H 100 8.345 8.791 -0.446 1
1 1193 . 13 1 1 A 100 100 SER CA C 100 58.848 58.079 0.769 1
1 1194 . 13 1 1 A 100 100 SER HA H 100 4.527 4.881 -0.354 1
1 1195 . 13 1 1 A 100 100 SER CB C 100 63.482 63.345 0.137 1
1 1198 . 13 1 1 A 100 100 SER C C 100 173.557 173.981 -0.424 1
1 1199 . 13 1 1 A 101 101 LEU N N 101 124.776 126.810 -2.034 1
1 1200 . 13 1 1 A 101 101 LEU H H 101 8.277 8.234 0.043 1
1 1201 . 13 1 1 A 101 101 LEU CA C 101 52.430 54.092 -1.662 1
1 1202 . 13 1 1 A 101 101 LEU HA H 101 4.375 4.273 0.102 1
1 1203 . 13 1 1 A 101 101 LEU CB C 101 40.427 41.613 -1.186 1
1 1216 . 13 1 1 A 101 101 LEU C C 101 174.363 174.956 -0.593 1
1 1217 . 13 1 1 A 102 102 PRO CA C 102 62.488 62.226 0.262 1
1 1218 . 13 1 1 A 102 102 PRO HA H 102 4.259 4.424 -0.165 1
1 1219 . 13 1 1 A 102 102 PRO CB C 102 32.073 32.472 -0.399 1
1 1228 . 13 1 1 A 102 102 PRO C C 102 175.687 177.809 -2.122 1
1 1229 . 13 1 1 A 103 103 GLU N N 103 118.843 121.181 -2.338 1
1 1230 . 13 1 1 A 103 103 GLU H H 103 8.286 8.729 -0.443 1
1 1231 . 13 1 1 A 103 103 GLU CA C 103 58.131 59.050 -0.919 1
1 1232 . 13 1 1 A 103 103 GLU HA H 103 4.013 4.104 -0.091 1
1 1233 . 13 1 1 A 103 103 GLU CB C 103 30.344 29.321 1.023 1
1 1239 . 13 1 1 A 103 103 GLU C C 103 176.869 176.032 0.837 1
1 1240 . 13 1 1 A 104 104 LYS N N 104 116.544 117.978 -1.434 1
1 1241 . 13 1 1 A 104 104 LYS H H 104 7.869 7.671 0.198 1
1 1242 . 13 1 1 A 104 104 LYS CA C 104 55.314 55.276 0.038 1
1 1243 . 13 1 1 A 104 104 LYS HA H 104 4.474 4.985 -0.511 1
1 1244 . 13 1 1 A 104 104 LYS CB C 104 33.428 37.358 -3.930 1
1 1256 . 13 1 1 A 104 104 LYS C C 104 175.231 174.770 0.461 1
1 1257 . 13 1 1 A 105 105 ILE N N 105 122.507 121.437 1.070 1
1 1258 . 13 1 1 A 105 105 ILE H H 105 8.236 8.644 -0.408 1
1 1259 . 13 1 1 A 105 105 ILE CA C 105 60.636 59.762 0.874 1
1 1260 . 13 1 1 A 105 105 ILE HA H 105 4.190 4.798 -0.608 1
1 1261 . 13 1 1 A 105 105 ILE CB C 105 39.685 41.516 -1.831 1
1 1274 . 13 1 1 A 105 105 ILE C C 105 176.091 175.474 0.617 1
1 1275 . 13 1 1 A 106 106 GLN N N 106 124.467 126.856 -2.389 1
1 1276 . 13 1 1 A 106 106 GLN H H 106 8.752 8.800 -0.048 1
1 1277 . 13 1 1 A 106 106 GLN CA C 106 56.244 55.520 0.724 1
1 1278 . 13 1 1 A 106 106 GLN HA H 106 4.243 4.768 -0.525 1
1 1279 . 13 1 1 A 106 106 GLN CB C 106 28.717 31.147 -2.430 1
1 1288 . 13 1 1 A 106 106 GLN C C 106 177.593 175.758 1.835 1
1 1289 . 13 1 1 A 107 107 SER N N 107 116.963 114.223 2.740 1
1 1290 . 13 1 1 A 107 107 SER H H 107 8.623 8.062 0.561 1
1 1291 . 13 1 1 A 107 107 SER CA C 107 60.530 59.045 1.485 1
1 1292 . 13 1 1 A 107 107 SER HA H 107 4.152 3.989 0.163 1
1 1293 . 13 1 1 A 107 107 SER CB C 107 63.187 62.217 0.970 1
1 1296 . 13 1 1 A 107 107 SER C C 107 174.222 174.803 -0.581 1
1 1297 . 13 1 1 A 108 108 TYR N N 108 116.323 121.010 -4.687 1
1 1298 . 13 1 1 A 108 108 TYR H H 108 7.330 7.810 -0.480 1
1 1299 . 13 1 1 A 108 108 TYR CA C 108 56.727 61.137 -4.410 1
1 1300 . 13 1 1 A 108 108 TYR HA H 108 4.655 4.309 0.346 1
1 1301 . 13 1 1 A 108 108 TYR CB C 108 37.491 37.315 0.176 1
1 1312 . 13 1 1 A 108 108 TYR C C 108 175.768 177.691 -1.923 1
1 1313 . 13 1 1 A 109 109 GLU N N 109 120.523 119.214 1.309 1
1 1314 . 13 1 1 A 109 109 GLU H H 109 7.587 7.252 0.335 1
1 1315 . 13 1 1 A 109 109 GLU CA C 109 55.573 57.873 -2.300 1
1 1316 . 13 1 1 A 109 109 GLU HA H 109 4.582 4.460 0.122 1
1 1317 . 13 1 1 A 109 109 GLU CB C 109 31.360 29.916 1.444 1
1 1323 . 13 1 1 A 109 109 GLU C C 109 176.013 176.268 -0.255 1
1 1324 . 13 1 1 A 110 110 ARG N N 110 118.559 116.517 2.042 1
1 1325 . 13 1 1 A 110 110 ARG H H 110 8.441 7.491 0.950 1
1 1326 . 13 1 1 A 110 110 ARG CA C 110 55.667 55.697 -0.030 1
1 1327 . 13 1 1 A 110 110 ARG HA H 110 4.786 4.652 0.134 1
1 1328 . 13 1 1 A 110 110 ARG CB C 110 32.404 33.969 -1.565 1
1 1339 . 13 1 1 A 110 110 ARG C C 110 174.387 173.633 0.754 1
1 1340 . 13 1 1 A 111 111 MET N N 111 122.471 124.108 -1.637 1
1 1341 . 13 1 1 A 111 111 MET H H 111 8.665 8.587 0.078 1
1 1342 . 13 1 1 A 111 111 MET CA C 111 54.151 54.349 -0.198 1
1 1343 . 13 1 1 A 111 111 MET HA H 111 5.167 5.016 0.151 1
1 1344 . 13 1 1 A 111 111 MET CB C 111 35.735 35.183 0.552 1
1 1354 . 13 1 1 A 111 111 MET C C 111 174.924 174.471 0.453 1
1 1355 . 13 1 1 A 112 112 GLU N N 112 119.500 125.011 -5.511 1
1 1356 . 13 1 1 A 112 112 GLU H H 112 7.951 8.218 -0.267 1
1 1357 . 13 1 1 A 112 112 GLU CA C 112 53.909 55.061 -1.152 1
1 1358 . 13 1 1 A 112 112 GLU HA H 112 5.662 5.090 0.572 1
1 1359 . 13 1 1 A 112 112 GLU CB C 112 35.198 34.386 0.812 1
1 1365 . 13 1 1 A 112 112 GLU C C 112 174.483 174.569 -0.086 1
1 1366 . 13 1 1 A 113 113 PHE N N 113 115.033 117.536 -2.503 1
1 1367 . 13 1 1 A 113 113 PHE H H 113 9.278 8.732 0.546 1
1 1368 . 13 1 1 A 113 113 PHE CA C 113 55.857 56.425 -0.568 1
1 1369 . 13 1 1 A 113 113 PHE HA H 113 6.262 5.368 0.894 1
1 1370 . 13 1 1 A 113 113 PHE CB C 113 43.656 42.210 1.446 1
1 1383 . 13 1 1 A 113 113 PHE C C 113 172.253 172.627 -0.374 1
1 1384 . 13 1 1 A 114 114 ALA N N 114 121.461 122.349 -0.888 1
1 1385 . 13 1 1 A 114 114 ALA H H 114 9.475 9.358 0.117 1
1 1386 . 13 1 1 A 114 114 ALA CA C 114 50.860 50.655 0.205 1
1 1387 . 13 1 1 A 114 114 ALA HA H 114 5.026 5.503 -0.477 1
1 1388 . 13 1 1 A 114 114 ALA CB C 114 23.129 23.023 0.106 1
1 1392 . 13 1 1 A 114 114 ALA C C 114 174.903 176.200 -1.297 1
1 1393 . 13 1 1 A 115 115 VAL N N 115 120.899 122.105 -1.206 1
1 1394 . 13 1 1 A 115 115 VAL H H 115 8.928 8.603 0.325 1
1 1395 . 13 1 1 A 115 115 VAL CA C 115 61.379 62.700 -1.321 1
1 1396 . 13 1 1 A 115 115 VAL HA H 115 4.798 4.443 0.355 1
1 1397 . 13 1 1 A 115 115 VAL CB C 115 34.712 32.192 2.520 1
1 1407 . 13 1 1 A 115 115 VAL C C 115 174.444 174.792 -0.348 1
1 1408 . 13 1 1 A 116 116 TYR N N 116 123.426 127.566 -4.140 1
1 1409 . 13 1 1 A 116 116 TYR H H 116 8.963 8.428 0.535 1
1 1410 . 13 1 1 A 116 116 TYR CA C 116 55.480 54.599 0.881 1
1 1411 . 13 1 1 A 116 116 TYR HA H 116 5.081 4.666 0.415 1
1 1412 . 13 1 1 A 116 116 TYR CB C 116 38.928 39.413 -0.485 1
1 1423 . 13 1 1 A 116 116 TYR C C 116 172.208 172.998 -0.790 1
1 1424 . 13 1 1 A 117 117 TYR N N 117 123.249 129.878 -6.629 1
1 1425 . 13 1 1 A 117 117 TYR H H 117 8.858 8.759 0.099 1
1 1426 . 13 1 1 A 117 117 TYR CA C 117 52.371 56.532 -4.161 1
1 1427 . 13 1 1 A 117 117 TYR HA H 117 5.528 4.630 0.898 1
1 1428 . 13 1 1 A 117 117 TYR CB C 117 41.509 39.883 1.626 1
1 1439 . 13 1 1 A 117 117 TYR C C 117 173.159 173.554 -0.395 1
1 1440 . 13 1 1 A 118 118 GLU N N 118 127.681 128.121 -0.440 1
1 1441 . 13 1 1 A 118 118 GLU H H 118 9.368 8.374 0.994 1
1 1442 . 13 1 1 A 118 118 GLU CA C 118 54.179 55.395 -1.216 1
1 1443 . 13 1 1 A 118 118 GLU HA H 118 5.085 4.571 0.514 1
1 1444 . 13 1 1 A 118 118 GLU CB C 118 32.099 30.756 1.343 1
1 1450 . 13 1 1 A 118 118 GLU C C 118 175.565 174.955 0.610 1
1 1451 . 13 1 1 A 119 119 CYS N N 119 122.152 122.728 -0.576 1
1 1452 . 13 1 1 A 119 119 CYS H H 119 8.323 7.828 0.495 1
1 1453 . 13 1 1 A 119 119 CYS CA C 119 58.248 57.749 0.499 1
1 1454 . 13 1 1 A 119 119 CYS HA H 119 4.479 4.553 -0.074 1
1 1455 . 13 1 1 A 119 119 CYS CB C 119 29.065 30.364 -1.299 1
1 1458 . 13 1 1 A 119 119 CYS C C 119 174.586 173.111 1.475 1
1 1459 . 13 1 1 A 120 120 ASN N N 120 126.917 118.621 8.296 1
1 1460 . 13 1 1 A 120 120 ASN H H 120 9.858 9.220 0.638 1
1 1461 . 13 1 1 A 120 120 ASN CA C 120 53.735 54.449 -0.714 1
1 1462 . 13 1 1 A 120 120 ASN HA H 120 4.342 4.405 -0.063 1
1 1463 . 13 1 1 A 120 120 ASN CB C 120 37.873 37.402 0.471 1
1 1469 . 13 1 1 A 120 120 ASN C C 120 174.943 175.415 -0.472 1
1 1470 . 13 1 1 A 121 121 GLY N N 121 104.866 103.762 1.104 1
1 1471 . 13 1 1 A 121 121 GLY H H 121 8.776 8.593 0.183 1
1 1472 . 13 1 1 A 121 121 GLY CA C 121 45.586 46.373 -0.787 1
1 1473 . 13 1 1 A 121 121 GLY HA2 H 121 4.041 3.842 0.199 1
1 1474 . 13 1 1 A 121 121 GLY HA3 H 121 3.553 3.849 -0.296 1
1 1475 . 13 1 1 A 121 121 GLY C C 121 173.804 173.689 0.115 1
1 1476 . 13 1 1 A 122 122 GLN N N 122 119.988 118.220 1.768 1
1 1477 . 13 1 1 A 122 122 GLN H H 122 7.677 7.906 -0.229 1
1 1478 . 13 1 1 A 122 122 GLN CA C 122 53.624 53.698 -0.074 1
1 1479 . 13 1 1 A 122 122 GLN HA H 122 4.395 4.804 -0.409 1
1 1480 . 13 1 1 A 122 122 GLN CB C 122 31.456 32.329 -0.873 1
1 1489 . 13 1 1 A 122 122 GLN C C 122 174.029 174.317 -0.288 1
1 1490 . 13 1 1 A 123 123 THR N N 123 116.337 115.065 1.272 1
1 1491 . 13 1 1 A 123 123 THR H H 123 7.990 8.376 -0.386 1
1 1492 . 13 1 1 A 123 123 THR CA C 123 61.935 61.153 0.782 1
1 1493 . 13 1 1 A 123 123 THR HA H 123 4.620 4.769 -0.149 1
1 1494 . 13 1 1 A 123 123 THR CB C 123 70.005 71.223 -1.218 1
1 1500 . 13 1 1 A 123 123 THR C C 123 172.596 172.871 -0.275 1
1 1501 . 13 1 1 A 124 124 TYR N N 124 128.915 124.452 4.463 1
1 1502 . 13 1 1 A 124 124 TYR H H 124 9.416 8.791 0.625 1
1 1503 . 13 1 1 A 124 124 TYR CA C 124 56.388 56.095 0.293 1
1 1504 . 13 1 1 A 124 124 TYR HA H 124 4.962 5.449 -0.487 1
1 1505 . 13 1 1 A 124 124 TYR CB C 124 40.688 41.414 -0.726 1
1 1516 . 13 1 1 A 124 124 TYR C C 124 174.284 174.588 -0.304 1
1 1517 . 13 1 1 A 125 125 TRP N N 125 119.850 123.721 -3.871 1
1 1518 . 13 1 1 A 125 125 TRP H H 125 8.738 9.167 -0.429 1
1 1519 . 13 1 1 A 125 125 TRP CA C 125 56.940 55.482 1.458 1
1 1520 . 13 1 1 A 125 125 TRP HA H 125 5.388 5.668 -0.280 1
1 1521 . 13 1 1 A 125 125 TRP CB C 125 33.031 31.582 1.449 1
1 1536 . 13 1 1 A 125 125 TRP C C 125 176.973 174.971 2.002 1
1 1537 . 13 1 1 A 126 126 ASP N N 126 118.759 126.321 -7.562 1
1 1538 . 13 1 1 A 126 126 ASP H H 126 9.436 8.888 0.548 1
1 1539 . 13 1 1 A 126 126 ASP CA C 126 53.968 52.984 0.984 1
1 1540 . 13 1 1 A 126 126 ASP HA H 126 5.213 5.053 0.160 1
1 1541 . 13 1 1 A 126 126 ASP CB C 126 42.641 41.789 0.852 1
1 1544 . 13 1 1 A 126 126 ASP C C 126 176.043 174.794 1.249 1
1 1545 . 13 1 1 A 127 127 SER N N 127 119.074 120.260 -1.186 1
1 1546 . 13 1 1 A 127 127 SER H H 127 8.520 8.689 -0.169 1
1 1547 . 13 1 1 A 127 127 SER CA C 127 55.118 56.637 -1.519 1
1 1548 . 13 1 1 A 127 127 SER HA H 127 4.811 5.071 -0.260 1
1 1549 . 13 1 1 A 127 127 SER CB C 127 63.866 64.233 -0.367 1
1 1552 . 13 1 1 A 127 127 SER C C 127 175.840 173.392 2.448 1
1 1553 . 13 1 1 A 128 128 ASN N N 128 124.865 118.871 5.994 1
1 1554 . 13 1 1 A 128 128 ASN H H 128 9.242 8.627 0.615 1
1 1555 . 13 1 1 A 128 128 ASN CA C 128 53.224 54.064 -0.840 1
1 1556 . 13 1 1 A 128 128 ASN HA H 128 4.071 3.870 0.201 1
1 1557 . 13 1 1 A 128 128 ASN CB C 128 34.281 36.287 -2.006 1
1 1563 . 13 1 1 A 128 128 ASN C C 128 176.607 174.332 2.275 1
1 1564 . 13 1 1 A 129 129 ARG N N 129 114.718 110.465 4.253 1
1 1565 . 13 1 1 A 129 129 ARG H H 129 9.475 8.313 1.162 1
1 1566 . 13 1 1 A 129 129 ARG CA C 129 56.798 57.099 -0.301 1
1 1567 . 13 1 1 A 129 129 ARG HA H 129 3.774 3.803 -0.029 1
1 1568 . 13 1 1 A 129 129 ARG CB C 129 27.145 27.551 -0.406 1
1 1579 . 13 1 1 A 129 129 ARG C C 129 176.132 175.774 0.358 1
1 1580 . 13 1 1 A 130 130 GLY N N 130 106.337 106.050 0.287 1
1 1581 . 13 1 1 A 130 130 GLY H H 130 7.568 8.017 -0.449 1
1 1582 . 13 1 1 A 130 130 GLY CA C 130 44.896 46.035 -1.139 1
1 1583 . 13 1 1 A 130 130 GLY HA2 H 130 4.103 4.014 0.089 1
1 1584 . 13 1 1 A 130 130 GLY HA3 H 130 3.425 4.028 -0.603 1
1 1585 . 13 1 1 A 130 130 GLY C C 130 174.521 174.175 0.346 1
1 1586 . 13 1 1 A 131 131 LYS N N 131 119.902 123.637 -3.735 1
1 1587 . 13 1 1 A 131 131 LYS H H 131 7.278 8.135 -0.857 1
1 1588 . 13 1 1 A 131 131 LYS CA C 131 57.336 58.061 -0.725 1
1 1589 . 13 1 1 A 131 131 LYS HA H 131 4.132 4.241 -0.109 1
1 1590 . 13 1 1 A 131 131 LYS CB C 131 33.719 32.666 1.053 1
1 1602 . 13 1 1 A 131 131 LYS C C 131 177.813 176.612 1.201 1
1 1603 . 13 1 1 A 132 132 ASN N N 132 107.489 111.937 -4.448 1
1 1604 . 13 1 1 A 132 132 ASN H H 132 8.268 7.818 0.450 1
1 1605 . 13 1 1 A 132 132 ASN CA C 132 54.717 52.139 2.578 1
1 1606 . 13 1 1 A 132 132 ASN HA H 132 3.691 4.857 -1.166 1
1 1607 . 13 1 1 A 132 132 ASN CB C 132 39.462 40.836 -1.374 1
1 1613 . 13 1 1 A 132 132 ASN C C 132 172.611 173.000 -0.389 1
1 1614 . 13 1 1 A 133 133 TYR N N 133 120.541 120.554 -0.013 1
1 1615 . 13 1 1 A 133 133 TYR H H 133 8.696 8.474 0.222 1
1 1616 . 13 1 1 A 133 133 TYR CA C 133 58.334 58.599 -0.265 1
1 1617 . 13 1 1 A 133 133 TYR HA H 133 3.879 4.392 -0.513 1
1 1618 . 13 1 1 A 133 133 TYR CB C 133 35.955 37.646 -1.691 1
1 1627 . 13 1 1 A 133 133 TYR C C 133 175.026 175.243 -0.217 1
1 1628 . 13 1 1 A 134 134 ARG N N 134 123.205 126.069 -2.864 1
1 1629 . 13 1 1 A 134 134 ARG H H 134 8.584 8.809 -0.225 1
1 1630 . 13 1 1 A 134 134 ARG CA C 134 56.025 55.914 0.111 1
1 1631 . 13 1 1 A 134 134 ARG HA H 134 5.043 4.758 0.285 1
1 1632 . 13 1 1 A 134 134 ARG CB C 134 32.734 31.628 1.106 1
1 1643 . 13 1 1 A 134 134 ARG C C 134 174.511 175.114 -0.603 1
1 1644 . 13 1 1 A 135 135 ILE N N 135 124.430 125.992 -1.562 1
1 1645 . 13 1 1 A 135 135 ILE H H 135 8.429 8.994 -0.565 1
1 1646 . 13 1 1 A 135 135 ILE CA C 135 61.078 60.335 0.743 1
1 1647 . 13 1 1 A 135 135 ILE HA H 135 4.797 4.719 0.078 1
1 1648 . 13 1 1 A 135 135 ILE CB C 135 39.875 39.749 0.126 1
1 1661 . 13 1 1 A 135 135 ILE C C 135 175.279 176.052 -0.773 1
1 1662 . 13 1 1 A 136 136 ILE N N 136 120.496 123.534 -3.038 1
1 1663 . 13 1 1 A 136 136 ILE H H 136 9.000 9.102 -0.102 1
1 1664 . 13 1 1 A 136 136 ILE CA C 136 59.359 59.093 0.266 1
1 1665 . 13 1 1 A 136 136 ILE HA H 136 5.028 5.214 -0.186 1
1 1666 . 13 1 1 A 136 136 ILE CB C 136 42.170 40.550 1.620 1
1 1679 . 13 1 1 A 136 136 ILE C C 136 175.144 175.044 0.100 1
1 1680 . 13 1 1 A 137 137 ARG N N 137 122.183 123.787 -1.604 1
1 1681 . 13 1 1 A 137 137 ARG H H 137 8.535 8.677 -0.142 1
1 1682 . 13 1 1 A 137 137 ARG CA C 137 56.339 55.328 1.011 1
1 1683 . 13 1 1 A 137 137 ARG HA H 137 4.402 4.451 -0.049 1
1 1684 . 13 1 1 A 137 137 ARG CB C 137 30.696 31.628 -0.932 1
1 1695 . 13 1 1 A 137 137 ARG C C 137 176.646 177.586 -0.940 1
1 1696 . 13 1 1 A 138 138 ALA N N 138 126.694 128.133 -1.439 1
1 1697 . 13 1 1 A 138 138 ALA H H 138 8.353 8.578 -0.225 1
1 1698 . 13 1 1 A 138 138 ALA CA C 138 52.808 54.675 -1.867 1
1 1699 . 13 1 1 A 138 138 ALA HA H 138 4.134 3.982 0.152 1
1 1700 . 13 1 1 A 138 138 ALA CB C 138 19.536 18.227 1.309 1
1 1704 . 13 1 1 A 138 138 ALA C C 138 177.637 179.244 -1.607 1
1 1705 . 13 1 1 A 139 139 GLU N N 139 119.890 116.028 3.862 1
1 1706 . 13 1 1 A 139 139 GLU H H 139 8.615 8.323 0.292 1
1 1707 . 13 1 1 A 139 139 GLU CA C 139 56.586 58.851 -2.265 1
1 1708 . 13 1 1 A 139 139 GLU HA H 139 4.268 4.114 0.154 1
1 1709 . 13 1 1 A 139 139 GLU CB C 139 30.137 27.996 2.141 1
1 1715 . 13 1 1 A 139 139 GLU C C 139 176.488 178.527 -2.039 1
1 1716 . 13 1 1 A 140 140 LEU N N 140 123.350 119.141 4.209 1
1 1717 . 13 1 1 A 140 140 LEU H H 140 8.224 7.499 0.725 1
1 1718 . 13 1 1 A 140 140 LEU CA C 140 55.185 56.448 -1.263 1
1 1719 . 13 1 1 A 140 140 LEU HA H 140 4.339 4.266 0.073 1
1 1720 . 13 1 1 A 140 140 LEU CB C 140 42.294 42.149 0.145 1
1 1733 . 13 1 1 A 140 140 LEU C C 140 177.456 177.470 -0.014 1
1 1734 . 13 1 1 A 141 141 LYS N N 141 122.155 120.380 1.775 1
1 1735 . 13 1 1 A 141 141 LYS H H 141 8.239 7.653 0.586 1
1 1736 . 13 1 1 A 141 141 LYS CA C 141 56.480 57.105 -0.625 1
1 1737 . 13 1 1 A 141 141 LYS HA H 141 4.309 4.211 0.098 1
1 1738 . 13 1 1 A 141 141 LYS CB C 141 32.976 32.837 0.139 1
1 1750 . 13 1 1 A 141 141 LYS C C 141 176.734 175.800 0.934 1
1 1751 . 13 1 1 A 142 142 SER N N 142 116.816 120.225 -3.409 1
1 1752 . 13 1 1 A 142 142 SER H H 142 8.369 8.555 -0.186 1
1 1753 . 13 1 1 A 142 142 SER CA C 142 58.425 56.910 1.515 1
1 1754 . 13 1 1 A 142 142 SER HA H 142 4.529 5.369 -0.840 1
1 1755 . 13 1 1 A 142 142 SER CB C 142 63.836 64.595 -0.759 1
1 1758 . 13 1 1 A 142 142 SER C C 142 175.185 173.618 1.567 1
1 1759 . 13 1 1 A 143 143 THR N N 143 115.566 121.214 -5.648 1
1 1760 . 13 1 1 A 143 143 THR H H 143 8.235 8.596 -0.361 1
1 1761 . 13 1 1 A 143 143 THR CA C 143 61.999 63.163 -1.164 1
1 1762 . 13 1 1 A 143 143 THR HA H 143 4.389 4.259 0.130 1
1 1763 . 13 1 1 A 143 143 THR CB C 143 69.634 69.312 0.322 1
1 1769 . 13 1 1 A 143 143 THR C C 143 174.937 174.134 0.803 1
1 1770 . 13 1 1 A 144 144 GLN N N 144 122.469 127.786 -5.317 1
1 1771 . 13 1 1 A 144 144 GLN H H 144 8.345 8.788 -0.443 1
1 1772 . 13 1 1 A 144 144 GLN CA C 144 56.480 55.317 1.163 1
1 1773 . 13 1 1 A 144 144 GLN HA H 144 4.307 4.662 -0.355 1
1 1774 . 13 1 1 A 144 144 GLN CB C 144 29.307 30.118 -0.811 1
1 1783 . 13 1 1 A 144 144 GLN C C 144 176.536 175.710 0.826 1
1 1784 . 13 1 1 A 145 145 GLY N N 145 110.021 111.910 -1.889 1
1 1785 . 13 1 1 A 145 145 GLY H H 145 8.461 8.714 -0.253 1
1 1786 . 13 1 1 A 145 145 GLY CA C 145 45.355 45.868 -0.513 1
1 1787 . 13 1 1 A 145 145 GLY HA2 H 145 3.967 4.210 -0.243 1
1 1788 . 13 1 1 A 145 145 GLY HA3 H 145 3.967 4.211 -0.244 1
1 1789 . 13 1 1 A 145 145 GLY C C 145 174.123 172.523 1.600 1
1 1790 . 13 1 1 A 146 146 MET N N 146 119.836 122.657 -2.821 1
1 1791 . 13 1 1 A 146 146 MET H H 146 8.197 8.646 -0.449 1
1 1792 . 13 1 1 A 146 146 MET CA C 146 55.594 54.093 1.501 1
1 1793 . 13 1 1 A 146 146 MET HA H 146 4.538 5.154 -0.616 1
1 1794 . 13 1 1 A 146 146 MET CB C 146 33.090 35.825 -2.735 1
1 1804 . 13 1 1 A 146 146 MET C C 146 176.454 174.157 2.297 1
1 1805 . 13 1 1 A 147 147 THR N N 147 116.248 119.302 -3.054 1
1 1806 . 13 1 1 A 147 147 THR H H 147 8.239 8.525 -0.286 1
1 1807 . 13 1 1 A 147 147 THR CA C 147 61.959 63.131 -1.172 1
1 1808 . 13 1 1 A 147 147 THR HA H 147 4.318 4.270 0.048 1
1 1809 . 13 1 1 A 147 147 THR CB C 147 69.875 69.226 0.649 1
1 1815 . 13 1 1 A 147 147 THR C C 147 174.141 173.885 0.256 1
1 1816 . 13 1 1 A 148 148 LYS N N 148 125.399 123.712 1.687 1
1 1817 . 13 1 1 A 148 148 LYS H H 148 8.387 8.834 -0.447 1
1 1818 . 13 1 1 A 148 148 LYS CA C 148 54.186 53.257 0.929 1
1 1819 . 13 1 1 A 148 148 LYS HA H 148 4.617 5.039 -0.422 1
1 1820 . 13 1 1 A 148 148 LYS CB C 148 32.651 35.231 -2.580 1
1 1832 . 13 1 1 A 148 148 LYS C C 148 174.388 174.336 0.052 1
1 1833 . 13 1 1 A 149 149 PRO CA C 149 63.178 62.985 0.193 1
1 1834 . 13 1 1 A 149 149 PRO HA H 149 4.406 4.628 -0.222 1
1 1835 . 13 1 1 A 149 149 PRO CB C 149 32.164 31.912 0.252 1
1 1844 . 13 1 1 A 150 150 HIS CA C 150 56.264 57.597 -1.333 1
1 1845 . 13 1 1 A 150 150 HIS HA H 150 4.626 4.429 0.197 1
1 1846 . 13 1 1 A 150 150 HIS CB C 150 30.574 30.734 -0.160 1
1 1852 . 13 1 1 A 151 151 SER CA C 151 58.018 56.270 1.748 1
1 1853 . 13 1 1 A 151 151 SER HA H 151 4.475 5.200 -0.725 1
1 1854 . 13 1 1 A 151 151 SER CB C 151 64.139 66.484 -2.345 1
1 1856 . 13 1 1 A 151 151 SER C C 151 174.253 172.788 1.465 1
1 1857 . 13 1 1 A 152 152 GLY N N 152 110.964 110.798 0.166 1
1 1858 . 13 1 1 A 152 152 GLY H H 152 8.276 8.223 0.053 1
1 1859 . 13 1 1 A 152 152 GLY CA C 152 44.637 45.093 -0.456 1
1 1860 . 13 1 1 A 152 152 GLY HA2 H 152 4.120 4.162 -0.042 1
1 1861 . 13 1 1 A 152 152 GLY HA3 H 152 4.120 4.169 -0.049 1
1 1862 . 13 1 1 A 152 152 GLY C C 152 171.668 171.822 -0.154 1
1 1863 . 13 1 1 A 153 153 PRO CA C 153 63.147 62.778 0.369 1
1 1864 . 13 1 1 A 153 153 PRO HA H 153 4.425 4.647 -0.222 1
1 1865 . 13 1 1 A 153 153 PRO CB C 153 32.149 32.750 -0.601 1
1 1874 . 13 1 1 A 153 153 PRO C C 153 176.656 175.449 1.207 1
1 1875 . 13 1 1 A 154 154 ASP N N 154 120.420 121.612 -1.192 1
1 1876 . 13 1 1 A 154 154 ASP H H 154 8.463 8.664 -0.201 1
1 1877 . 13 1 1 A 154 154 ASP CA C 154 54.429 52.922 1.507 1
1 1878 . 13 1 1 A 154 154 ASP HA H 154 4.575 4.891 -0.316 1
1 1879 . 13 1 1 A 154 154 ASP CB C 154 40.979 41.329 -0.350 1
1 1882 . 13 1 1 A 154 154 ASP C C 154 176.163 174.843 1.320 1
1 1883 . 13 1 1 A 155 155 LEU N N 155 123.563 124.448 -0.885 1
1 1884 . 13 1 1 A 155 155 LEU H H 155 8.266 7.496 0.770 1
1 1885 . 13 1 1 A 155 155 LEU CA C 155 55.022 55.869 -0.847 1
1 1886 . 13 1 1 A 155 155 LEU HA H 155 4.358 4.262 0.096 1
1 1887 . 13 1 1 A 155 155 LEU CB C 155 42.157 42.287 -0.130 1
1 1900 . 13 1 1 A 155 155 LEU C C 155 176.990 176.074 0.916 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.655 55.987 2.668 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.501 5.103 -0.602 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.644 66.571 -2.927 1
1 6 . 14 1 1 A 6 6 SER C C 6 175.063 173.191 1.872 1
1 7 . 14 1 1 A 7 7 GLY N N 7 111.113 111.570 -0.457 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.473 8.643 -0.170 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.373 47.184 -1.811 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 3.967 3.912 0.055 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 3.967 3.914 0.053 1
1 12 . 14 1 1 A 7 7 GLY C C 7 173.934 172.951 0.983 1
1 13 . 14 1 1 A 8 8 ALA N N 8 123.788 125.810 -2.022 1
1 14 . 14 1 1 A 8 8 ALA H H 8 8.197 8.639 -0.442 1
1 15 . 14 1 1 A 8 8 ALA CA C 8 52.548 50.804 1.744 1
1 16 . 14 1 1 A 8 8 ALA HA H 8 4.342 4.848 -0.506 1
1 17 . 14 1 1 A 8 8 ALA CB C 8 19.403 19.968 -0.565 1
1 21 . 14 1 1 A 8 8 ALA C C 8 177.902 176.467 1.435 1
1 22 . 14 1 1 A 9 9 GLU N N 9 120.004 123.109 -3.105 1
1 23 . 14 1 1 A 9 9 GLU H H 9 8.524 8.506 0.018 1
1 24 . 14 1 1 A 9 9 GLU CA C 9 56.763 56.255 0.508 1
1 25 . 14 1 1 A 9 9 GLU HA H 9 4.308 4.366 -0.058 1
1 26 . 14 1 1 A 9 9 GLU CB C 9 30.161 28.724 1.437 1
1 32 . 14 1 1 A 9 9 GLU C C 9 176.646 176.450 0.196 1
1 33 . 14 1 1 A 10 10 SER N N 10 116.268 120.882 -4.614 1
1 34 . 14 1 1 A 10 10 SER H H 10 8.305 8.014 0.291 1
1 35 . 14 1 1 A 10 10 SER CA C 10 58.426 59.496 -1.070 1
1 36 . 14 1 1 A 10 10 SER HA H 10 4.429 4.329 0.100 1
1 37 . 14 1 1 A 10 10 SER CB C 10 63.933 64.197 -0.264 1
1 40 . 14 1 1 A 10 10 SER C C 10 174.267 174.197 0.070 1
1 41 . 14 1 1 A 11 11 GLU N N 11 122.435 122.049 0.386 1
1 42 . 14 1 1 A 11 11 GLU H H 11 8.368 8.567 -0.199 1
1 43 . 14 1 1 A 11 11 GLU CA C 11 56.233 54.465 1.768 1
1 44 . 14 1 1 A 11 11 GLU HA H 11 4.367 4.588 -0.221 1
1 45 . 14 1 1 A 11 11 GLU CB C 11 30.692 31.319 -0.627 1
1 51 . 14 1 1 A 11 11 GLU C C 11 175.800 176.861 -1.061 1
1 52 . 14 1 1 A 12 12 SER N N 12 116.596 118.053 -1.457 1
1 53 . 14 1 1 A 12 12 SER H H 12 8.299 8.544 -0.245 1
1 54 . 14 1 1 A 12 12 SER CA C 12 58.355 59.096 -0.741 1
1 55 . 14 1 1 A 12 12 SER HA H 12 4.457 4.577 -0.120 1
1 56 . 14 1 1 A 12 12 SER CB C 12 64.573 64.048 0.525 1
1 59 . 14 1 1 A 12 12 SER C C 12 173.309 174.065 -0.756 1
1 60 . 14 1 1 A 13 13 PHE N N 13 121.293 121.415 -0.122 1
1 61 . 14 1 1 A 13 13 PHE H H 13 8.346 9.238 -0.892 1
1 62 . 14 1 1 A 13 13 PHE CA C 13 56.851 56.551 0.300 1
1 63 . 14 1 1 A 13 13 PHE HA H 13 5.384 5.213 0.171 1
1 64 . 14 1 1 A 13 13 PHE CB C 13 42.542 43.097 -0.555 1
1 77 . 14 1 1 A 13 13 PHE C C 13 174.500 174.800 -0.300 1
1 78 . 14 1 1 A 14 14 VAL N N 14 116.020 116.445 -0.425 1
1 79 . 14 1 1 A 14 14 VAL H H 14 9.313 9.190 0.123 1
1 80 . 14 1 1 A 14 14 VAL CA C 14 60.141 59.408 0.733 1
1 81 . 14 1 1 A 14 14 VAL HA H 14 4.455 4.929 -0.474 1
1 82 . 14 1 1 A 14 14 VAL CB C 14 36.318 36.499 -0.181 1
1 92 . 14 1 1 A 14 14 VAL C C 14 174.668 174.650 0.018 1
1 93 . 14 1 1 A 15 15 LEU N N 15 121.725 121.086 0.639 1
1 94 . 14 1 1 A 15 15 LEU H H 15 8.476 8.610 -0.134 1
1 95 . 14 1 1 A 15 15 LEU CA C 15 54.800 53.167 1.633 1
1 96 . 14 1 1 A 15 15 LEU HA H 15 4.403 4.821 -0.418 1
1 97 . 14 1 1 A 15 15 LEU CB C 15 39.816 42.201 -2.385 1
1 110 . 14 1 1 A 15 15 LEU C C 15 177.001 175.878 1.123 1
1 111 . 14 1 1 A 16 16 ASP N N 16 126.576 125.694 0.882 1
1 112 . 14 1 1 A 16 16 ASP H H 16 8.766 8.608 0.158 1
1 113 . 14 1 1 A 16 16 ASP CA C 16 52.828 53.704 -0.876 1
1 114 . 14 1 1 A 16 16 ASP HA H 16 5.081 4.866 0.215 1
1 115 . 14 1 1 A 16 16 ASP CB C 16 42.268 40.537 1.731 1
1 118 . 14 1 1 A 16 16 ASP C C 16 174.640 175.321 -0.681 1
1 119 . 14 1 1 A 17 17 PHE N N 17 112.958 117.250 -4.292 1
1 120 . 14 1 1 A 17 17 PHE H H 17 6.915 7.051 -0.136 1
1 121 . 14 1 1 A 17 17 PHE CA C 17 55.489 55.966 -0.477 1
1 122 . 14 1 1 A 17 17 PHE HA H 17 4.938 5.198 -0.260 1
1 123 . 14 1 1 A 17 17 PHE CB C 17 39.154 41.032 -1.878 1
1 136 . 14 1 1 A 17 17 PHE C C 17 173.746 172.629 1.117 1
1 137 . 14 1 1 A 18 18 SER N N 18 114.977 116.885 -1.908 1
1 138 . 14 1 1 A 18 18 SER H H 18 8.569 8.937 -0.368 1
1 139 . 14 1 1 A 18 18 SER CA C 18 57.046 58.011 -0.965 1
1 140 . 14 1 1 A 18 18 SER HA H 18 4.670 4.977 -0.307 1
1 141 . 14 1 1 A 18 18 SER CB C 18 63.974 64.448 -0.474 1
1 144 . 14 1 1 A 18 18 SER C C 18 175.437 174.985 0.452 1
1 145 . 14 1 1 A 19 19 GLN N N 19 123.586 123.685 -0.099 1
1 146 . 14 1 1 A 19 19 GLN H H 19 9.033 8.748 0.285 1
1 147 . 14 1 1 A 19 19 GLN CA C 19 54.023 54.894 -0.871 1
1 148 . 14 1 1 A 19 19 GLN HA H 19 4.558 4.594 -0.036 1
1 149 . 14 1 1 A 19 19 GLN CB C 19 27.994 28.510 -0.516 1
1 158 . 14 1 1 A 19 19 GLN C C 19 177.642 176.305 1.337 1
1 159 . 14 1 1 A 20 20 PRO CA C 20 65.836 65.481 0.355 1
1 160 . 14 1 1 A 20 20 PRO HA H 20 4.370 4.498 -0.128 1
1 161 . 14 1 1 A 20 20 PRO CB C 20 32.556 32.185 0.371 1
1 170 . 14 1 1 A 20 20 PRO C C 20 178.374 178.623 -0.249 1
1 171 . 14 1 1 A 21 21 SER N N 21 104.386 112.360 -7.974 1
1 172 . 14 1 1 A 21 21 SER H H 21 7.216 8.002 -0.786 1
1 173 . 14 1 1 A 21 21 SER CA C 21 58.886 61.397 -2.511 1
1 174 . 14 1 1 A 21 21 SER HA H 21 3.271 4.005 -0.734 1
1 175 . 14 1 1 A 21 21 SER CB C 21 62.401 62.483 -0.082 1
1 178 . 14 1 1 A 21 21 SER C C 21 174.423 176.917 -2.494 1
1 179 . 14 1 1 A 22 22 ALA N N 22 123.008 122.972 0.036 1
1 180 . 14 1 1 A 22 22 ALA H H 22 7.700 7.962 -0.262 1
1 181 . 14 1 1 A 22 22 ALA CA C 22 53.968 55.508 -1.540 1
1 182 . 14 1 1 A 22 22 ALA HA H 22 4.198 4.103 0.095 1
1 183 . 14 1 1 A 22 22 ALA CB C 22 18.504 19.046 -0.542 1
1 187 . 14 1 1 A 22 22 ALA C C 22 177.624 177.766 -0.142 1
1 188 . 14 1 1 A 23 23 ASP N N 23 117.789 117.639 0.150 1
1 189 . 14 1 1 A 23 23 ASP H H 23 7.080 8.103 -1.023 1
1 190 . 14 1 1 A 23 23 ASP CA C 23 52.151 53.097 -0.946 1
1 191 . 14 1 1 A 23 23 ASP HA H 23 4.893 4.950 -0.057 1
1 192 . 14 1 1 A 23 23 ASP CB C 23 40.592 40.902 -0.310 1
1 195 . 14 1 1 A 23 23 ASP C C 23 175.032 175.895 -0.863 1
1 196 . 14 1 1 A 24 24 TYR N N 24 123.295 126.424 -3.129 1
1 197 . 14 1 1 A 24 24 TYR H H 24 8.217 8.980 -0.763 1
1 198 . 14 1 1 A 24 24 TYR CA C 24 61.711 61.687 0.024 1
1 199 . 14 1 1 A 24 24 TYR HA H 24 4.196 4.058 0.138 1
1 200 . 14 1 1 A 24 24 TYR CB C 24 38.456 39.199 -0.743 1
1 211 . 14 1 1 A 24 24 TYR C C 24 177.434 177.258 0.176 1
1 212 . 14 1 1 A 25 25 LEU N N 25 119.429 121.162 -1.733 1
1 213 . 14 1 1 A 25 25 LEU H H 25 8.074 8.415 -0.341 1
1 214 . 14 1 1 A 25 25 LEU CA C 25 57.691 58.432 -0.741 1
1 215 . 14 1 1 A 25 25 LEU HA H 25 3.967 3.841 0.126 1
1 216 . 14 1 1 A 25 25 LEU CB C 25 41.388 41.568 -0.180 1
1 229 . 14 1 1 A 25 25 LEU C C 25 178.768 178.458 0.310 1
1 230 . 14 1 1 A 26 26 ASP N N 26 119.881 118.781 1.100 1
1 231 . 14 1 1 A 26 26 ASP H H 26 7.561 8.325 -0.764 1
1 232 . 14 1 1 A 26 26 ASP CA C 26 57.625 56.762 0.863 1
1 233 . 14 1 1 A 26 26 ASP HA H 26 4.367 4.336 0.031 1
1 234 . 14 1 1 A 26 26 ASP CB C 26 42.955 41.182 1.773 1
1 237 . 14 1 1 A 26 26 ASP C C 26 177.657 178.495 -0.838 1
1 238 . 14 1 1 A 27 27 PHE N N 27 118.946 120.244 -1.298 1
1 239 . 14 1 1 A 27 27 PHE H H 27 8.750 8.207 0.543 1
1 240 . 14 1 1 A 27 27 PHE CA C 27 61.323 61.134 0.189 1
1 241 . 14 1 1 A 27 27 PHE HA H 27 4.088 4.118 -0.030 1
1 242 . 14 1 1 A 27 27 PHE CB C 27 39.606 39.528 0.078 1
1 255 . 14 1 1 A 27 27 PHE C C 27 176.662 177.107 -0.445 1
1 256 . 14 1 1 A 28 28 ARG N N 28 116.744 118.723 -1.979 1
1 257 . 14 1 1 A 28 28 ARG H H 28 8.079 8.474 -0.395 1
1 258 . 14 1 1 A 28 28 ARG CA C 28 59.051 58.755 0.296 1
1 259 . 14 1 1 A 28 28 ARG HA H 28 3.590 4.009 -0.419 1
1 260 . 14 1 1 A 28 28 ARG CB C 28 29.516 29.931 -0.415 1
1 269 . 14 1 1 A 28 28 ARG C C 28 179.306 178.336 0.970 1
1 270 . 14 1 1 A 29 29 ASN N N 29 119.381 117.716 1.665 1
1 271 . 14 1 1 A 29 29 ASN H H 29 8.106 8.322 -0.216 1
1 272 . 14 1 1 A 29 29 ASN CA C 29 55.861 55.943 -0.082 1
1 273 . 14 1 1 A 29 29 ASN HA H 29 4.361 4.419 -0.058 1
1 274 . 14 1 1 A 29 29 ASN CB C 29 37.622 37.677 -0.055 1
1 280 . 14 1 1 A 29 29 ASN C C 29 178.555 178.425 0.130 1
1 281 . 14 1 1 A 30 30 ARG N N 30 123.244 119.636 3.608 1
1 282 . 14 1 1 A 30 30 ARG H H 30 8.640 7.615 1.025 1
1 283 . 14 1 1 A 30 30 ARG CA C 30 59.708 58.802 0.906 1
1 284 . 14 1 1 A 30 30 ARG HA H 30 3.912 3.966 -0.054 1
1 285 . 14 1 1 A 30 30 ARG CB C 30 30.910 29.973 0.937 1
1 296 . 14 1 1 A 30 30 ARG C C 30 178.651 178.887 -0.236 1
1 297 . 14 1 1 A 31 31 LEU N N 31 119.911 120.959 -1.048 1
1 298 . 14 1 1 A 31 31 LEU H H 31 7.988 7.408 0.580 1
1 299 . 14 1 1 A 31 31 LEU CA C 31 58.049 56.447 1.602 1
1 300 . 14 1 1 A 31 31 LEU HA H 31 3.409 3.922 -0.513 1
1 301 . 14 1 1 A 31 31 LEU CB C 31 41.342 41.446 -0.104 1
1 314 . 14 1 1 A 31 31 LEU C C 31 178.698 178.023 0.675 1
1 315 . 14 1 1 A 32 32 GLN N N 32 114.904 118.124 -3.220 1
1 316 . 14 1 1 A 32 32 GLN H H 32 7.416 7.590 -0.174 1
1 317 . 14 1 1 A 32 32 GLN CA C 32 58.019 57.124 0.895 1
1 318 . 14 1 1 A 32 32 GLN HA H 32 3.891 4.293 -0.402 1
1 319 . 14 1 1 A 32 32 GLN CB C 32 28.679 29.490 -0.811 1
1 328 . 14 1 1 A 32 32 GLN C C 32 176.457 176.927 -0.470 1
1 329 . 14 1 1 A 33 33 ALA N N 33 119.088 120.808 -1.720 1
1 330 . 14 1 1 A 33 33 ALA H H 33 7.791 7.860 -0.069 1
1 331 . 14 1 1 A 33 33 ALA CA C 33 54.057 53.421 0.636 1
1 332 . 14 1 1 A 33 33 ALA HA H 33 4.099 4.072 0.027 1
1 333 . 14 1 1 A 33 33 ALA CB C 33 19.921 19.003 0.918 1
1 337 . 14 1 1 A 33 33 ALA C C 33 178.303 178.028 0.275 1
1 338 . 14 1 1 A 34 34 ASP N N 34 115.377 116.874 -1.497 1
1 339 . 14 1 1 A 34 34 ASP H H 34 8.662 7.905 0.757 1
1 340 . 14 1 1 A 34 34 ASP CA C 34 55.153 53.568 1.585 1
1 341 . 14 1 1 A 34 34 ASP HA H 34 4.698 4.605 0.093 1
1 342 . 14 1 1 A 34 34 ASP CB C 34 41.976 41.312 0.664 1
1 345 . 14 1 1 A 34 34 ASP C C 34 177.531 175.228 2.303 1
1 346 . 14 1 1 A 35 35 HIS N N 35 108.110 116.067 -7.957 1
1 347 . 14 1 1 A 35 35 HIS H H 35 7.018 7.226 -0.208 1
1 348 . 14 1 1 A 35 35 HIS CA C 35 58.336 56.834 1.502 1
1 349 . 14 1 1 A 35 35 HIS HA H 35 4.543 4.291 0.252 1
1 350 . 14 1 1 A 35 35 HIS CB C 35 26.472 26.511 -0.039 1
1 357 . 14 1 1 A 35 35 HIS C C 35 171.507 173.366 -1.859 1
1 358 . 14 1 1 A 36 36 VAL N N 36 115.529 116.643 -1.114 1
1 359 . 14 1 1 A 36 36 VAL H H 36 7.065 6.910 0.155 1
1 360 . 14 1 1 A 36 36 VAL CA C 36 58.549 60.662 -2.113 1
1 361 . 14 1 1 A 36 36 VAL HA H 36 4.867 4.591 0.276 1
1 362 . 14 1 1 A 36 36 VAL CB C 36 33.135 34.369 -1.234 1
1 372 . 14 1 1 A 36 36 VAL C C 36 171.953 173.679 -1.726 1
1 373 . 14 1 1 A 37 37 CYS N N 37 124.685 124.841 -0.156 1
1 374 . 14 1 1 A 37 37 CYS H H 37 8.694 8.650 0.044 1
1 375 . 14 1 1 A 37 37 CYS CA C 37 59.979 58.364 1.615 1
1 376 . 14 1 1 A 37 37 CYS HA H 37 4.594 4.867 -0.273 1
1 377 . 14 1 1 A 37 37 CYS CB C 37 29.016 31.162 -2.146 1
1 380 . 14 1 1 A 37 37 CYS C C 37 173.445 173.172 0.273 1
1 381 . 14 1 1 A 38 38 LEU N N 38 132.291 128.118 4.173 1
1 382 . 14 1 1 A 38 38 LEU H H 38 9.625 8.775 0.850 1
1 383 . 14 1 1 A 38 38 LEU CA C 38 57.958 56.229 1.729 1
1 384 . 14 1 1 A 38 38 LEU HA H 38 4.167 4.493 -0.326 1
1 385 . 14 1 1 A 38 38 LEU CB C 38 42.189 42.432 -0.243 1
1 398 . 14 1 1 A 38 38 LEU C C 38 173.188 177.008 -3.820 1
1 399 . 14 1 1 A 39 39 GLU N N 39 127.988 128.305 -0.317 1
1 400 . 14 1 1 A 39 39 GLU H H 39 9.267 9.311 -0.044 1
1 401 . 14 1 1 A 39 39 GLU CA C 39 57.435 58.535 -1.100 1
1 402 . 14 1 1 A 39 39 GLU HA H 39 4.521 4.430 0.091 1
1 403 . 14 1 1 A 39 39 GLU CB C 39 31.891 30.221 1.670 1
1 409 . 14 1 1 A 39 39 GLU C C 39 175.300 176.466 -1.166 1
1 410 . 14 1 1 A 40 40 ASN N N 40 115.109 113.665 1.444 1
1 411 . 14 1 1 A 40 40 ASN H H 40 7.757 7.887 -0.130 1
1 412 . 14 1 1 A 40 40 ASN CA C 40 52.151 51.524 0.627 1
1 413 . 14 1 1 A 40 40 ASN HA H 40 5.353 5.416 -0.063 1
1 414 . 14 1 1 A 40 40 ASN CB C 40 43.324 41.752 1.572 1
1 420 . 14 1 1 A 40 40 ASN C C 40 173.918 173.422 0.496 1
1 421 . 14 1 1 A 41 41 CYS N N 41 120.861 119.643 1.218 1
1 422 . 14 1 1 A 41 41 CYS H H 41 9.646 9.167 0.479 1
1 423 . 14 1 1 A 41 41 CYS CA C 41 58.934 57.449 1.485 1
1 424 . 14 1 1 A 41 41 CYS HA H 41 5.167 5.223 -0.056 1
1 425 . 14 1 1 A 41 41 CYS CB C 41 30.293 30.578 -0.285 1
1 428 . 14 1 1 A 41 41 CYS C C 41 171.600 173.300 -1.700 1
1 429 . 14 1 1 A 42 42 VAL N N 42 126.721 123.205 3.516 1
1 430 . 14 1 1 A 42 42 VAL H H 42 9.532 9.138 0.394 1
1 431 . 14 1 1 A 42 42 VAL CA C 42 60.463 59.446 1.017 1
1 432 . 14 1 1 A 42 42 VAL HA H 42 4.454 5.022 -0.568 1
1 433 . 14 1 1 A 42 42 VAL CB C 42 35.496 34.719 0.777 1
1 443 . 14 1 1 A 42 42 VAL C C 42 173.645 174.003 -0.358 1
1 444 . 14 1 1 A 43 43 LEU N N 43 127.183 124.266 2.917 1
1 445 . 14 1 1 A 43 43 LEU H H 43 8.597 8.783 -0.186 1
1 446 . 14 1 1 A 43 43 LEU CA C 43 54.209 53.562 0.647 1
1 447 . 14 1 1 A 43 43 LEU HA H 43 5.050 5.304 -0.254 1
1 448 . 14 1 1 A 43 43 LEU CB C 43 43.450 46.292 -2.842 1
1 461 . 14 1 1 A 43 43 LEU C C 43 176.151 174.687 1.464 1
1 462 . 14 1 1 A 44 44 LYS N N 44 127.086 124.746 2.340 1
1 463 . 14 1 1 A 44 44 LYS H H 44 8.726 9.148 -0.422 1
1 464 . 14 1 1 A 44 44 LYS CA C 44 55.033 54.225 0.808 1
1 465 . 14 1 1 A 44 44 LYS HA H 44 4.552 4.876 -0.324 1
1 466 . 14 1 1 A 44 44 LYS CB C 44 34.147 36.095 -1.948 1
1 478 . 14 1 1 A 44 44 LYS C C 44 175.176 175.729 -0.553 1
1 479 . 14 1 1 A 45 45 ASP N N 45 123.045 121.246 1.799 1
1 480 . 14 1 1 A 45 45 ASP H H 45 8.876 8.585 0.291 1
1 481 . 14 1 1 A 45 45 ASP CA C 45 56.515 55.049 1.466 1
1 482 . 14 1 1 A 45 45 ASP HA H 45 4.321 4.541 -0.220 1
1 483 . 14 1 1 A 45 45 ASP CB C 45 39.782 40.194 -0.412 1
1 486 . 14 1 1 A 45 45 ASP C C 45 175.339 176.246 -0.907 1
1 487 . 14 1 1 A 46 46 LYS N N 46 118.201 118.070 0.131 1
1 488 . 14 1 1 A 46 46 LYS H H 46 8.620 9.117 -0.497 1
1 489 . 14 1 1 A 46 46 LYS CA C 46 56.158 57.248 -1.090 1
1 490 . 14 1 1 A 46 46 LYS HA H 46 4.079 3.888 0.191 1
1 491 . 14 1 1 A 46 46 LYS CB C 46 30.929 30.071 0.858 1
1 503 . 14 1 1 A 46 46 LYS C C 46 174.615 175.113 -0.498 1
1 504 . 14 1 1 A 47 47 ALA N N 47 121.283 117.774 3.509 1
1 505 . 14 1 1 A 47 47 ALA H H 47 7.611 7.099 0.512 1
1 506 . 14 1 1 A 47 47 ALA CA C 47 51.809 51.608 0.201 1
1 507 . 14 1 1 A 47 47 ALA HA H 47 5.105 4.854 0.251 1
1 508 . 14 1 1 A 47 47 ALA CB C 47 22.739 22.945 -0.206 1
1 512 . 14 1 1 A 47 47 ALA C C 47 175.508 175.194 0.314 1
1 513 . 14 1 1 A 48 48 ILE N N 48 114.639 114.775 -0.136 1
1 514 . 14 1 1 A 48 48 ILE H H 48 8.819 8.545 0.274 1
1 515 . 14 1 1 A 48 48 ILE CA C 48 59.017 59.101 -0.084 1
1 516 . 14 1 1 A 48 48 ILE HA H 48 5.230 5.173 0.057 1
1 517 . 14 1 1 A 48 48 ILE CB C 48 41.811 42.617 -0.806 1
1 530 . 14 1 1 A 48 48 ILE C C 48 172.954 174.374 -1.420 1
1 531 . 14 1 1 A 49 49 ALA N N 49 126.155 122.389 3.766 1
1 532 . 14 1 1 A 49 49 ALA H H 49 8.652 8.254 0.398 1
1 533 . 14 1 1 A 49 49 ALA CA C 49 50.095 51.444 -1.349 1
1 534 . 14 1 1 A 49 49 ALA HA H 49 4.769 4.915 -0.146 1
1 535 . 14 1 1 A 49 49 ALA CB C 49 22.651 21.837 0.814 1
1 539 . 14 1 1 A 49 49 ALA C C 49 175.812 175.649 0.163 1
1 540 . 14 1 1 A 50 50 GLY N N 50 105.980 107.261 -1.281 1
1 541 . 14 1 1 A 50 50 GLY H H 50 6.754 6.854 -0.100 1
1 542 . 14 1 1 A 50 50 GLY CA C 50 46.134 45.031 1.103 1
1 543 . 14 1 1 A 50 50 GLY HA2 H 50 3.803 3.936 -0.133 1
1 544 . 14 1 1 A 50 50 GLY HA3 H 50 4.077 4.076 0.001 1
1 545 . 14 1 1 A 50 50 GLY C C 50 172.510 172.233 0.277 1
1 546 . 14 1 1 A 51 51 THR N N 51 108.648 111.000 -2.352 1
1 547 . 14 1 1 A 51 51 THR H H 51 8.556 8.823 -0.267 1
1 548 . 14 1 1 A 51 51 THR CA C 51 59.116 60.343 -1.227 1
1 549 . 14 1 1 A 51 51 THR HA H 51 5.588 5.738 -0.150 1
1 550 . 14 1 1 A 51 51 THR CB C 51 72.737 70.779 1.958 1
1 556 . 14 1 1 A 51 51 THR C C 51 174.087 173.637 0.450 1
1 557 . 14 1 1 A 52 52 VAL N N 52 122.025 127.018 -4.993 1
1 558 . 14 1 1 A 52 52 VAL H H 52 9.746 9.643 0.103 1
1 559 . 14 1 1 A 52 52 VAL CA C 52 61.371 61.344 0.027 1
1 560 . 14 1 1 A 52 52 VAL HA H 52 4.463 4.726 -0.263 1
1 561 . 14 1 1 A 52 52 VAL CB C 52 36.986 33.025 3.961 1
1 571 . 14 1 1 A 52 52 VAL C C 52 174.687 174.641 0.046 1
1 572 . 14 1 1 A 53 53 LYS N N 53 125.115 128.335 -3.220 1
1 573 . 14 1 1 A 53 53 LYS H H 53 8.567 9.090 -0.523 1
1 574 . 14 1 1 A 53 53 LYS CA C 53 53.668 55.457 -1.789 1
1 575 . 14 1 1 A 53 53 LYS HA H 53 5.599 5.044 0.555 1
1 576 . 14 1 1 A 53 53 LYS CB C 53 37.855 34.242 3.613 1
1 588 . 14 1 1 A 53 53 LYS C C 53 174.697 175.680 -0.983 1
1 589 . 14 1 1 A 54 54 VAL N N 54 110.661 118.465 -7.804 1
1 590 . 14 1 1 A 54 54 VAL H H 54 8.498 8.917 -0.419 1
1 591 . 14 1 1 A 54 54 VAL CA C 54 57.682 58.735 -1.053 1
1 592 . 14 1 1 A 54 54 VAL HA H 54 4.825 4.579 0.246 1
1 593 . 14 1 1 A 54 54 VAL CB C 54 34.634 35.534 -0.900 1
1 603 . 14 1 1 A 54 54 VAL C C 54 176.105 174.429 1.676 1
1 604 . 14 1 1 A 55 55 GLN N N 55 119.414 120.813 -1.399 1
1 605 . 14 1 1 A 55 55 GLN H H 55 7.924 7.995 -0.071 1
1 606 . 14 1 1 A 55 55 GLN CA C 55 56.023 55.350 0.673 1
1 607 . 14 1 1 A 55 55 GLN HA H 55 4.456 4.522 -0.066 1
1 608 . 14 1 1 A 55 55 GLN CB C 55 30.216 29.649 0.567 1
1 617 . 14 1 1 A 55 55 GLN C C 55 176.800 175.850 0.950 1
1 618 . 14 1 1 A 56 56 ASN N N 56 125.676 121.765 3.911 1
1 619 . 14 1 1 A 56 56 ASN H H 56 8.837 8.741 0.096 1
1 620 . 14 1 1 A 56 56 ASN CA C 56 53.190 51.844 1.346 1
1 621 . 14 1 1 A 56 56 ASN HA H 56 4.575 4.961 -0.386 1
1 622 . 14 1 1 A 56 56 ASN CB C 56 36.855 37.671 -0.816 1
1 628 . 14 1 1 A 56 56 ASN C C 56 174.747 175.986 -1.239 1
1 629 . 14 1 1 A 57 57 LEU N N 57 124.779 124.219 0.560 1
1 630 . 14 1 1 A 57 57 LEU H H 57 7.284 8.046 -0.762 1
1 631 . 14 1 1 A 57 57 LEU CA C 57 55.224 57.853 -2.629 1
1 632 . 14 1 1 A 57 57 LEU HA H 57 4.326 3.744 0.582 1
1 633 . 14 1 1 A 57 57 LEU CB C 57 43.634 41.664 1.970 1
1 646 . 14 1 1 A 57 57 LEU C C 57 176.186 176.723 -0.537 1
1 647 . 14 1 1 A 58 58 ALA N N 58 119.342 118.610 0.732 1
1 648 . 14 1 1 A 58 58 ALA H H 58 7.724 7.797 -0.073 1
1 649 . 14 1 1 A 58 58 ALA CA C 58 51.687 49.917 1.770 1
1 650 . 14 1 1 A 58 58 ALA HA H 58 4.343 4.252 0.091 1
1 651 . 14 1 1 A 58 58 ALA CB C 58 21.122 21.011 0.111 1
1 655 . 14 1 1 A 58 58 ALA C C 58 175.847 177.486 -1.639 1
1 656 . 14 1 1 A 59 59 PHE N N 59 118.235 116.931 1.304 1
1 657 . 14 1 1 A 59 59 PHE H H 59 8.231 8.142 0.089 1
1 658 . 14 1 1 A 59 59 PHE CA C 59 60.105 60.434 -0.329 1
1 659 . 14 1 1 A 59 59 PHE HA H 59 4.428 4.485 -0.057 1
1 660 . 14 1 1 A 59 59 PHE CB C 59 40.386 39.619 0.767 1
1 673 . 14 1 1 A 59 59 PHE C C 59 176.670 176.545 0.125 1
1 674 . 14 1 1 A 60 60 GLU N N 60 120.295 117.358 2.937 1
1 675 . 14 1 1 A 60 60 GLU H H 60 8.482 8.002 0.480 1
1 676 . 14 1 1 A 60 60 GLU CA C 60 57.134 57.028 0.106 1
1 677 . 14 1 1 A 60 60 GLU HA H 60 4.306 4.553 -0.247 1
1 678 . 14 1 1 A 60 60 GLU CB C 60 29.569 30.681 -1.112 1
1 684 . 14 1 1 A 60 60 GLU C C 60 175.584 176.549 -0.965 1
1 685 . 14 1 1 A 61 61 LYS N N 61 123.512 122.325 1.187 1
1 686 . 14 1 1 A 61 61 LYS H H 61 8.377 8.736 -0.359 1
1 687 . 14 1 1 A 61 61 LYS CA C 61 55.939 54.933 1.006 1
1 688 . 14 1 1 A 61 61 LYS HA H 61 5.038 5.119 -0.081 1
1 689 . 14 1 1 A 61 61 LYS CB C 61 37.890 36.829 1.061 1
1 701 . 14 1 1 A 61 61 LYS C C 61 175.510 175.391 0.119 1
1 702 . 14 1 1 A 62 62 THR N N 62 117.107 118.946 -1.839 1
1 703 . 14 1 1 A 62 62 THR H H 62 8.285 8.294 -0.009 1
1 704 . 14 1 1 A 62 62 THR CA C 62 62.340 61.671 0.669 1
1 705 . 14 1 1 A 62 62 THR HA H 62 4.435 4.654 -0.219 1
1 706 . 14 1 1 A 62 62 THR CB C 62 71.605 69.206 2.399 1
1 712 . 14 1 1 A 62 62 THR C C 62 172.156 173.394 -1.238 1
1 713 . 14 1 1 A 63 63 VAL N N 63 128.402 127.588 0.814 1
1 714 . 14 1 1 A 63 63 VAL H H 63 8.719 8.762 -0.043 1
1 715 . 14 1 1 A 63 63 VAL CA C 63 60.707 61.593 -0.886 1
1 716 . 14 1 1 A 63 63 VAL HA H 63 4.755 4.348 0.407 1
1 717 . 14 1 1 A 63 63 VAL CB C 63 35.210 31.477 3.733 1
1 727 . 14 1 1 A 63 63 VAL C C 63 174.313 175.632 -1.319 1
1 728 . 14 1 1 A 64 64 LYS N N 64 123.629 125.798 -2.169 1
1 729 . 14 1 1 A 64 64 LYS H H 64 8.519 8.380 0.139 1
1 730 . 14 1 1 A 64 64 LYS CA C 64 54.850 54.939 -0.089 1
1 731 . 14 1 1 A 64 64 LYS HA H 64 4.997 5.114 -0.117 1
1 732 . 14 1 1 A 64 64 LYS CB C 64 37.343 36.131 1.212 1
1 744 . 14 1 1 A 64 64 LYS C C 64 173.348 175.611 -2.263 1
1 745 . 14 1 1 A 65 65 ILE N N 65 119.250 124.462 -5.212 1
1 746 . 14 1 1 A 65 65 ILE H H 65 8.637 8.381 0.256 1
1 747 . 14 1 1 A 65 65 ILE CA C 65 57.894 60.533 -2.639 1
1 748 . 14 1 1 A 65 65 ILE HA H 65 4.451 4.358 0.093 1
1 749 . 14 1 1 A 65 65 ILE CB C 65 37.638 37.692 -0.054 1
1 762 . 14 1 1 A 65 65 ILE C C 65 174.893 175.177 -0.284 1
1 763 . 14 1 1 A 66 66 ARG N N 66 130.193 127.737 2.456 1
1 764 . 14 1 1 A 66 66 ARG H H 66 9.244 8.547 0.697 1
1 765 . 14 1 1 A 66 66 ARG CA C 66 55.930 54.863 1.067 1
1 766 . 14 1 1 A 66 66 ARG HA H 66 5.440 4.851 0.589 1
1 767 . 14 1 1 A 66 66 ARG CB C 66 31.514 31.887 -0.373 1
1 778 . 14 1 1 A 66 66 ARG C C 66 174.161 174.565 -0.404 1
1 779 . 14 1 1 A 67 67 MET N N 67 128.046 127.662 0.384 1
1 780 . 14 1 1 A 67 67 MET H H 67 9.343 9.171 0.172 1
1 781 . 14 1 1 A 67 67 MET CA C 67 54.217 53.737 0.480 1
1 782 . 14 1 1 A 67 67 MET HA H 67 5.318 5.239 0.079 1
1 783 . 14 1 1 A 67 67 MET CB C 67 37.533 35.610 1.923 1
1 793 . 14 1 1 A 67 67 MET C C 67 173.432 173.545 -0.113 1
1 794 . 14 1 1 A 68 68 THR N N 68 118.404 117.106 1.298 1
1 795 . 14 1 1 A 68 68 THR H H 68 8.474 7.926 0.548 1
1 796 . 14 1 1 A 68 68 THR CA C 68 58.903 59.265 -0.362 1
1 797 . 14 1 1 A 68 68 THR HA H 68 3.948 4.659 -0.711 1
1 798 . 14 1 1 A 68 68 THR CB C 68 71.091 71.074 0.017 1
1 804 . 14 1 1 A 68 68 THR C C 68 170.783 172.607 -1.824 1
1 805 . 14 1 1 A 69 69 PHE N N 69 124.029 122.876 1.153 1
1 806 . 14 1 1 A 69 69 PHE H H 69 8.910 8.975 -0.065 1
1 807 . 14 1 1 A 69 69 PHE CA C 69 55.772 57.606 -1.834 1
1 808 . 14 1 1 A 69 69 PHE HA H 69 4.783 4.798 -0.015 1
1 809 . 14 1 1 A 69 69 PHE CB C 69 39.748 40.310 -0.562 1
1 822 . 14 1 1 A 69 69 PHE C C 69 174.951 174.990 -0.039 1
1 823 . 14 1 1 A 70 70 ASP N N 70 121.457 119.136 2.321 1
1 824 . 14 1 1 A 70 70 ASP H H 70 8.841 7.253 1.588 1
1 825 . 14 1 1 A 70 70 ASP CA C 70 52.288 52.639 -0.351 1
1 826 . 14 1 1 A 70 70 ASP HA H 70 4.661 4.966 -0.305 1
1 827 . 14 1 1 A 70 70 ASP CB C 70 40.026 41.742 -1.716 1
1 830 . 14 1 1 A 70 70 ASP C C 70 177.065 175.779 1.286 1
1 831 . 14 1 1 A 71 71 THR N N 71 114.661 116.555 -1.894 1
1 832 . 14 1 1 A 71 71 THR H H 71 8.724 9.121 -0.397 1
1 833 . 14 1 1 A 71 71 THR CA C 71 63.824 63.065 0.759 1
1 834 . 14 1 1 A 71 71 THR HA H 71 3.181 3.978 -0.797 1
1 835 . 14 1 1 A 71 71 THR CB C 71 66.535 67.018 -0.483 1
1 841 . 14 1 1 A 71 71 THR C C 71 173.648 173.983 -0.335 1
1 842 . 14 1 1 A 72 72 TRP N N 72 111.097 113.110 -2.013 1
1 843 . 14 1 1 A 72 72 TRP H H 72 8.854 8.002 0.852 1
1 844 . 14 1 1 A 72 72 TRP CA C 72 58.910 57.921 0.989 1
1 845 . 14 1 1 A 72 72 TRP HA H 72 3.951 4.207 -0.256 1
1 846 . 14 1 1 A 72 72 TRP CB C 72 24.332 26.622 -2.290 1
1 861 . 14 1 1 A 72 72 TRP C C 72 176.875 176.090 0.785 1
1 862 . 14 1 1 A 73 73 LYS N N 73 124.701 117.812 6.889 1
1 863 . 14 1 1 A 73 73 LYS H H 73 7.785 8.256 -0.471 1
1 864 . 14 1 1 A 73 73 LYS CA C 73 60.463 57.230 3.233 1
1 865 . 14 1 1 A 73 73 LYS HA H 73 4.174 4.410 -0.236 1
1 866 . 14 1 1 A 73 73 LYS CB C 73 31.024 34.113 -3.089 1
1 878 . 14 1 1 A 73 73 LYS C C 73 177.622 176.853 0.769 1
1 879 . 14 1 1 A 74 74 SER N N 74 117.041 111.025 6.016 1
1 880 . 14 1 1 A 74 74 SER H H 74 10.002 7.827 2.175 1
1 881 . 14 1 1 A 74 74 SER CA C 74 57.539 56.992 0.547 1
1 882 . 14 1 1 A 74 74 SER HA H 74 4.556 4.683 -0.127 1
1 883 . 14 1 1 A 74 74 SER CB C 74 66.372 65.967 0.405 1
1 886 . 14 1 1 A 74 74 SER C C 74 171.956 172.176 -0.220 1
1 887 . 14 1 1 A 75 75 TYR N N 75 113.320 124.393 -11.073 1
1 888 . 14 1 1 A 75 75 TYR H H 75 7.735 8.269 -0.534 1
1 889 . 14 1 1 A 75 75 TYR CA C 75 57.155 55.094 2.061 1
1 890 . 14 1 1 A 75 75 TYR HA H 75 5.229 5.905 -0.676 1
1 891 . 14 1 1 A 75 75 TYR CB C 75 40.745 42.201 -1.456 1
1 902 . 14 1 1 A 75 75 TYR C C 75 174.262 174.305 -0.043 1
1 903 . 14 1 1 A 76 76 THR N N 76 117.158 115.321 1.837 1
1 904 . 14 1 1 A 76 76 THR H H 76 9.212 8.458 0.754 1
1 905 . 14 1 1 A 76 76 THR CA C 76 62.104 61.200 0.904 1
1 906 . 14 1 1 A 76 76 THR HA H 76 4.318 4.680 -0.362 1
1 907 . 14 1 1 A 76 76 THR CB C 76 72.675 70.618 2.057 1
1 913 . 14 1 1 A 76 76 THR C C 76 171.344 172.542 -1.198 1
1 914 . 14 1 1 A 77 77 ASP N N 77 125.875 126.111 -0.236 1
1 915 . 14 1 1 A 77 77 ASP H H 77 8.569 8.699 -0.130 1
1 916 . 14 1 1 A 77 77 ASP CA C 77 52.422 52.997 -0.575 1
1 917 . 14 1 1 A 77 77 ASP HA H 77 5.865 4.876 0.989 1
1 918 . 14 1 1 A 77 77 ASP CB C 77 41.512 40.703 0.809 1
1 921 . 14 1 1 A 77 77 ASP C C 77 175.921 175.224 0.697 1
1 922 . 14 1 1 A 78 78 PHE N N 78 125.666 124.194 1.472 1
1 923 . 14 1 1 A 78 78 PHE H H 78 9.992 8.230 1.762 1
1 924 . 14 1 1 A 78 78 PHE CA C 78 55.578 56.313 -0.735 1
1 925 . 14 1 1 A 78 78 PHE HA H 78 4.943 4.889 0.054 1
1 926 . 14 1 1 A 78 78 PHE CB C 78 40.375 39.900 0.475 1
1 939 . 14 1 1 A 78 78 PHE C C 78 173.610 174.063 -0.453 1
1 940 . 14 1 1 A 79 79 PRO CA C 79 63.363 63.202 0.161 1
1 941 . 14 1 1 A 79 79 PRO HA H 79 4.615 4.689 -0.074 1
1 942 . 14 1 1 A 79 79 PRO CB C 79 32.787 32.236 0.551 1
1 951 . 14 1 1 A 79 79 PRO C C 79 176.681 176.470 0.211 1
1 952 . 14 1 1 A 80 80 CYS N N 80 117.289 122.157 -4.868 1
1 953 . 14 1 1 A 80 80 CYS H H 80 8.308 8.133 0.175 1
1 954 . 14 1 1 A 80 80 CYS CA C 80 57.675 59.038 -1.363 1
1 955 . 14 1 1 A 80 80 CYS HA H 80 5.242 5.083 0.159 1
1 956 . 14 1 1 A 80 80 CYS CB C 80 30.658 29.666 0.992 1
1 959 . 14 1 1 A 80 80 CYS C C 80 174.899 174.710 0.189 1
1 960 . 14 1 1 A 81 81 GLN N N 81 122.188 121.528 0.660 1
1 961 . 14 1 1 A 81 81 GLN H H 81 9.312 8.554 0.758 1
1 962 . 14 1 1 A 81 81 GLN CA C 81 54.620 54.813 -0.193 1
1 963 . 14 1 1 A 81 81 GLN HA H 81 4.911 4.954 -0.043 1
1 964 . 14 1 1 A 81 81 GLN CB C 81 31.213 31.348 -0.135 1
1 973 . 14 1 1 A 81 81 GLN C C 81 175.035 174.141 0.894 1
1 974 . 14 1 1 A 82 82 TYR N N 82 125.814 123.198 2.616 1
1 975 . 14 1 1 A 82 82 TYR H H 82 8.919 8.929 -0.010 1
1 976 . 14 1 1 A 82 82 TYR CA C 82 58.764 56.010 2.754 1
1 977 . 14 1 1 A 82 82 TYR HA H 82 3.403 5.113 -1.710 1
1 978 . 14 1 1 A 82 82 TYR CB C 82 38.346 41.529 -3.183 1
1 989 . 14 1 1 A 82 82 TYR C C 82 175.413 173.779 1.634 1
1 990 . 14 1 1 A 83 83 VAL N N 83 129.316 127.034 2.282 1
1 991 . 14 1 1 A 83 83 VAL H H 83 7.782 8.747 -0.965 1
1 992 . 14 1 1 A 83 83 VAL CA C 83 61.693 61.255 0.438 1
1 993 . 14 1 1 A 83 83 VAL HA H 83 3.758 4.684 -0.926 1
1 994 . 14 1 1 A 83 83 VAL CB C 83 32.564 32.632 -0.068 1
1 1004 . 14 1 1 A 83 83 VAL C C 83 173.771 174.947 -1.176 1
1 1005 . 14 1 1 A 84 84 LYS N N 84 126.665 128.164 -1.499 1
1 1006 . 14 1 1 A 84 84 LYS H H 84 8.174 9.024 -0.850 1
1 1007 . 14 1 1 A 84 84 LYS CA C 84 56.144 55.764 0.380 1
1 1008 . 14 1 1 A 84 84 LYS HA H 84 4.016 4.871 -0.855 1
1 1009 . 14 1 1 A 84 84 LYS CB C 84 32.170 32.088 0.082 1
1 1021 . 14 1 1 A 84 84 LYS C C 84 175.610 174.869 0.741 1
1 1022 . 14 1 1 A 85 85 ASP N N 85 124.262 126.007 -1.745 1
1 1023 . 14 1 1 A 85 85 ASP H H 85 7.864 8.052 -0.188 1
1 1024 . 14 1 1 A 85 85 ASP CA C 85 53.349 53.374 -0.025 1
1 1025 . 14 1 1 A 85 85 ASP HA H 85 4.678 4.995 -0.317 1
1 1026 . 14 1 1 A 85 85 ASP CB C 85 41.683 42.684 -1.001 1
1 1029 . 14 1 1 A 85 85 ASP C C 85 176.841 177.055 -0.214 1
1 1030 . 14 1 1 A 86 86 THR N N 86 113.656 117.970 -4.314 1
1 1031 . 14 1 1 A 86 86 THR H H 86 8.065 8.735 -0.670 1
1 1032 . 14 1 1 A 86 86 THR CA C 86 63.274 66.378 -3.104 1
1 1033 . 14 1 1 A 86 86 THR HA H 86 4.086 3.901 0.185 1
1 1034 . 14 1 1 A 86 86 THR CB C 86 69.257 68.970 0.287 1
1 1040 . 14 1 1 A 86 86 THR C C 86 174.589 176.112 -1.523 1
1 1041 . 14 1 1 A 87 87 TYR N N 87 120.837 121.058 -0.221 1
1 1042 . 14 1 1 A 87 87 TYR H H 87 8.064 8.064 0.000 1
1 1043 . 14 1 1 A 87 87 TYR CA C 87 58.054 61.905 -3.851 1
1 1044 . 14 1 1 A 87 87 TYR HA H 87 4.527 4.121 0.406 1
1 1045 . 14 1 1 A 87 87 TYR CB C 87 38.297 38.702 -0.405 1
1 1056 . 14 1 1 A 87 87 TYR C C 87 175.590 175.943 -0.353 1
1 1057 . 14 1 1 A 88 88 ALA N N 88 125.226 119.517 5.709 1
1 1058 . 14 1 1 A 88 88 ALA H H 88 7.963 7.979 -0.016 1
1 1059 . 14 1 1 A 88 88 ALA CA C 88 53.104 52.391 0.713 1
1 1060 . 14 1 1 A 88 88 ALA HA H 88 4.389 4.274 0.115 1
1 1061 . 14 1 1 A 88 88 ALA CB C 88 19.127 19.101 0.026 1
1 1065 . 14 1 1 A 88 88 ALA C C 88 178.497 177.554 0.943 1
1 1066 . 14 1 1 A 89 89 GLY N N 89 109.029 111.446 -2.417 1
1 1067 . 14 1 1 A 89 89 GLY H H 89 8.479 8.393 0.086 1
1 1068 . 14 1 1 A 89 89 GLY CA C 89 45.426 45.480 -0.054 1
1 1069 . 14 1 1 A 89 89 GLY HA2 H 89 3.952 4.056 -0.104 1
1 1070 . 14 1 1 A 89 89 GLY HA3 H 89 4.079 4.078 0.001 1
1 1071 . 14 1 1 A 89 89 GLY C C 89 174.563 174.837 -0.274 1
1 1072 . 14 1 1 A 90 90 SER N N 90 115.638 117.801 -2.163 1
1 1073 . 14 1 1 A 90 90 SER H H 90 8.232 8.151 0.081 1
1 1074 . 14 1 1 A 90 90 SER CA C 90 58.443 59.866 -1.423 1
1 1075 . 14 1 1 A 90 90 SER HA H 90 4.574 4.442 0.132 1
1 1076 . 14 1 1 A 90 90 SER CB C 90 63.865 62.928 0.937 1
1 1079 . 14 1 1 A 90 90 SER C C 90 174.212 174.464 -0.252 1
1 1080 . 14 1 1 A 91 91 ASP N N 91 120.185 124.254 -4.069 1
1 1081 . 14 1 1 A 91 91 ASP H H 91 8.691 9.094 -0.403 1
1 1082 . 14 1 1 A 91 91 ASP CA C 91 55.012 55.356 -0.344 1
1 1083 . 14 1 1 A 91 91 ASP HA H 91 4.684 4.199 0.485 1
1 1084 . 14 1 1 A 91 91 ASP CB C 91 40.643 39.760 0.883 1
1 1087 . 14 1 1 A 91 91 ASP C C 91 176.350 174.727 1.623 1
1 1088 . 14 1 1 A 92 92 ARG N N 92 119.690 114.465 5.225 1
1 1089 . 14 1 1 A 92 92 ARG H H 92 8.072 7.478 0.594 1
1 1090 . 14 1 1 A 92 92 ARG CA C 92 54.941 53.904 1.037 1
1 1091 . 14 1 1 A 92 92 ARG HA H 92 5.022 4.951 0.071 1
1 1092 . 14 1 1 A 92 92 ARG CB C 92 32.816 33.434 -0.618 1
1 1101 . 14 1 1 A 92 92 ARG C C 92 174.072 173.987 0.085 1
1 1102 . 14 1 1 A 93 93 ASP N N 93 119.716 119.721 -0.005 1
1 1103 . 14 1 1 A 93 93 ASP H H 93 8.550 8.274 0.276 1
1 1104 . 14 1 1 A 93 93 ASP CA C 93 53.411 53.720 -0.309 1
1 1105 . 14 1 1 A 93 93 ASP HA H 93 5.108 5.150 -0.042 1
1 1106 . 14 1 1 A 93 93 ASP CB C 93 46.005 44.690 1.315 1
1 1109 . 14 1 1 A 93 93 ASP C C 93 174.776 174.394 0.382 1
1 1110 . 14 1 1 A 94 94 THR N N 94 116.481 121.601 -5.120 1
1 1111 . 14 1 1 A 94 94 THR H H 94 8.932 8.014 0.918 1
1 1112 . 14 1 1 A 94 94 THR CA C 94 62.287 61.439 0.848 1
1 1113 . 14 1 1 A 94 94 THR HA H 94 5.232 5.004 0.228 1
1 1114 . 14 1 1 A 94 94 THR CB C 94 70.008 70.698 -0.690 1
1 1120 . 14 1 1 A 94 94 THR C C 94 171.982 172.960 -0.978 1
1 1121 . 14 1 1 A 95 95 PHE N N 95 124.488 125.616 -1.128 1
1 1122 . 14 1 1 A 95 95 PHE H H 95 9.347 9.350 -0.003 1
1 1123 . 14 1 1 A 95 95 PHE CA C 95 55.834 55.679 0.155 1
1 1124 . 14 1 1 A 95 95 PHE HA H 95 5.321 5.481 -0.160 1
1 1125 . 14 1 1 A 95 95 PHE CB C 95 43.478 43.585 -0.107 1
1 1138 . 14 1 1 A 95 95 PHE C C 95 174.780 174.825 -0.045 1
1 1139 . 14 1 1 A 96 96 SER N N 96 117.417 114.507 2.910 1
1 1140 . 14 1 1 A 96 96 SER H H 96 10.108 9.465 0.643 1
1 1141 . 14 1 1 A 96 96 SER CA C 96 56.388 55.826 0.562 1
1 1142 . 14 1 1 A 96 96 SER HA H 96 5.575 5.449 0.126 1
1 1143 . 14 1 1 A 96 96 SER CB C 96 67.188 66.069 1.119 1
1 1146 . 14 1 1 A 96 96 SER C C 96 173.079 173.731 -0.652 1
1 1147 . 14 1 1 A 97 97 PHE N N 97 114.813 116.555 -1.742 1
1 1148 . 14 1 1 A 97 97 PHE H H 97 7.991 8.328 -0.337 1
1 1149 . 14 1 1 A 97 97 PHE CA C 97 56.003 56.505 -0.502 1
1 1150 . 14 1 1 A 97 97 PHE HA H 97 5.249 5.279 -0.030 1
1 1151 . 14 1 1 A 97 97 PHE CB C 97 42.008 41.520 0.488 1
1 1164 . 14 1 1 A 97 97 PHE C C 97 174.316 172.469 1.847 1
1 1165 . 14 1 1 A 98 98 ASP N N 98 121.809 119.441 2.368 1
1 1166 . 14 1 1 A 98 98 ASP H H 98 8.297 9.082 -0.785 1
1 1167 . 14 1 1 A 98 98 ASP CA C 98 54.789 53.235 1.554 1
1 1168 . 14 1 1 A 98 98 ASP HA H 98 5.006 5.344 -0.338 1
1 1169 . 14 1 1 A 98 98 ASP CB C 98 42.282 42.587 -0.305 1
1 1172 . 14 1 1 A 98 98 ASP C C 98 174.959 174.814 0.145 1
1 1173 . 14 1 1 A 99 99 ILE N N 99 126.714 125.317 1.397 1
1 1174 . 14 1 1 A 99 99 ILE H H 99 9.331 8.956 0.375 1
1 1175 . 14 1 1 A 99 99 ILE CA C 99 60.455 60.060 0.395 1
1 1176 . 14 1 1 A 99 99 ILE HA H 99 4.016 4.534 -0.518 1
1 1177 . 14 1 1 A 99 99 ILE CB C 99 42.110 39.590 2.520 1
1 1190 . 14 1 1 A 99 99 ILE C C 99 175.019 175.123 -0.104 1
1 1191 . 14 1 1 A 100 100 SER N N 100 122.590 119.209 3.381 1
1 1192 . 14 1 1 A 100 100 SER H H 100 8.345 8.757 -0.412 1
1 1193 . 14 1 1 A 100 100 SER CA C 100 58.848 56.507 2.341 1
1 1194 . 14 1 1 A 100 100 SER HA H 100 4.527 5.215 -0.688 1
1 1195 . 14 1 1 A 100 100 SER CB C 100 63.482 64.704 -1.222 1
1 1198 . 14 1 1 A 100 100 SER C C 100 173.557 173.496 0.061 1
1 1199 . 14 1 1 A 101 101 LEU N N 101 124.776 127.124 -2.348 1
1 1200 . 14 1 1 A 101 101 LEU H H 101 8.277 8.401 -0.124 1
1 1201 . 14 1 1 A 101 101 LEU CA C 101 52.430 53.948 -1.518 1
1 1202 . 14 1 1 A 101 101 LEU HA H 101 4.375 4.233 0.142 1
1 1203 . 14 1 1 A 101 101 LEU CB C 101 40.427 41.563 -1.136 1
1 1216 . 14 1 1 A 101 101 LEU C C 101 174.363 174.851 -0.488 1
1 1217 . 14 1 1 A 102 102 PRO CA C 102 62.488 62.087 0.401 1
1 1218 . 14 1 1 A 102 102 PRO HA H 102 4.259 4.275 -0.016 1
1 1219 . 14 1 1 A 102 102 PRO CB C 102 32.073 32.683 -0.610 1
1 1228 . 14 1 1 A 102 102 PRO C C 102 175.687 177.406 -1.719 1
1 1229 . 14 1 1 A 103 103 GLU N N 103 118.843 119.962 -1.119 1
1 1230 . 14 1 1 A 103 103 GLU H H 103 8.286 8.540 -0.254 1
1 1231 . 14 1 1 A 103 103 GLU CA C 103 58.131 59.068 -0.937 1
1 1232 . 14 1 1 A 103 103 GLU HA H 103 4.013 4.066 -0.053 1
1 1233 . 14 1 1 A 103 103 GLU CB C 103 30.344 29.032 1.312 1
1 1239 . 14 1 1 A 103 103 GLU C C 103 176.869 176.132 0.737 1
1 1240 . 14 1 1 A 104 104 LYS N N 104 116.544 117.723 -1.179 1
1 1241 . 14 1 1 A 104 104 LYS H H 104 7.869 7.627 0.242 1
1 1242 . 14 1 1 A 104 104 LYS CA C 104 55.314 55.220 0.094 1
1 1243 . 14 1 1 A 104 104 LYS HA H 104 4.474 5.068 -0.594 1
1 1244 . 14 1 1 A 104 104 LYS CB C 104 33.428 37.356 -3.928 1
1 1256 . 14 1 1 A 104 104 LYS C C 104 175.231 174.832 0.399 1
1 1257 . 14 1 1 A 105 105 ILE N N 105 122.507 121.410 1.097 1
1 1258 . 14 1 1 A 105 105 ILE H H 105 8.236 8.648 -0.412 1
1 1259 . 14 1 1 A 105 105 ILE CA C 105 60.636 60.658 -0.022 1
1 1260 . 14 1 1 A 105 105 ILE HA H 105 4.190 4.824 -0.634 1
1 1261 . 14 1 1 A 105 105 ILE CB C 105 39.685 41.395 -1.710 1
1 1274 . 14 1 1 A 105 105 ILE C C 105 176.091 174.692 1.399 1
1 1275 . 14 1 1 A 106 106 GLN N N 106 124.467 127.042 -2.575 1
1 1276 . 14 1 1 A 106 106 GLN H H 106 8.752 9.054 -0.302 1
1 1277 . 14 1 1 A 106 106 GLN CA C 106 56.244 54.572 1.672 1
1 1278 . 14 1 1 A 106 106 GLN HA H 106 4.243 4.725 -0.482 1
1 1279 . 14 1 1 A 106 106 GLN CB C 106 28.717 30.748 -2.031 1
1 1288 . 14 1 1 A 106 106 GLN C C 106 177.593 177.405 0.188 1
1 1289 . 14 1 1 A 107 107 SER N N 107 116.963 116.271 0.692 1
1 1290 . 14 1 1 A 107 107 SER H H 107 8.623 9.061 -0.438 1
1 1291 . 14 1 1 A 107 107 SER CA C 107 60.530 62.402 -1.872 1
1 1292 . 14 1 1 A 107 107 SER HA H 107 4.152 4.208 -0.056 1
1 1293 . 14 1 1 A 107 107 SER CB C 107 63.187 62.901 0.286 1
1 1296 . 14 1 1 A 107 107 SER C C 107 174.222 175.313 -1.091 1
1 1297 . 14 1 1 A 108 108 TYR N N 108 116.323 118.050 -1.727 1
1 1298 . 14 1 1 A 108 108 TYR H H 108 7.330 8.279 -0.949 1
1 1299 . 14 1 1 A 108 108 TYR CA C 108 56.727 57.978 -1.251 1
1 1300 . 14 1 1 A 108 108 TYR HA H 108 4.655 4.569 0.086 1
1 1301 . 14 1 1 A 108 108 TYR CB C 108 37.491 38.747 -1.256 1
1 1312 . 14 1 1 A 108 108 TYR C C 108 175.768 174.844 0.924 1
1 1313 . 14 1 1 A 109 109 GLU N N 109 120.523 120.129 0.394 1
1 1314 . 14 1 1 A 109 109 GLU H H 109 7.587 7.768 -0.181 1
1 1315 . 14 1 1 A 109 109 GLU CA C 109 55.573 55.239 0.334 1
1 1316 . 14 1 1 A 109 109 GLU HA H 109 4.582 4.567 0.015 1
1 1317 . 14 1 1 A 109 109 GLU CB C 109 31.360 32.113 -0.753 1
1 1323 . 14 1 1 A 109 109 GLU C C 109 176.013 175.010 1.003 1
1 1324 . 14 1 1 A 110 110 ARG N N 110 118.559 127.258 -8.699 1
1 1325 . 14 1 1 A 110 110 ARG H H 110 8.441 8.898 -0.457 1
1 1326 . 14 1 1 A 110 110 ARG CA C 110 55.667 56.108 -0.441 1
1 1327 . 14 1 1 A 110 110 ARG HA H 110 4.786 4.742 0.044 1
1 1328 . 14 1 1 A 110 110 ARG CB C 110 32.404 31.371 1.033 1
1 1339 . 14 1 1 A 110 110 ARG C C 110 174.387 174.729 -0.342 1
1 1340 . 14 1 1 A 111 111 MET N N 111 122.471 125.768 -3.297 1
1 1341 . 14 1 1 A 111 111 MET H H 111 8.665 9.000 -0.335 1
1 1342 . 14 1 1 A 111 111 MET CA C 111 54.151 53.930 0.221 1
1 1343 . 14 1 1 A 111 111 MET HA H 111 5.167 5.055 0.112 1
1 1344 . 14 1 1 A 111 111 MET CB C 111 35.735 35.093 0.642 1
1 1354 . 14 1 1 A 111 111 MET C C 111 174.924 174.591 0.333 1
1 1355 . 14 1 1 A 112 112 GLU N N 112 119.500 125.461 -5.961 1
1 1356 . 14 1 1 A 112 112 GLU H H 112 7.951 8.667 -0.716 1
1 1357 . 14 1 1 A 112 112 GLU CA C 112 53.909 54.765 -0.856 1
1 1358 . 14 1 1 A 112 112 GLU HA H 112 5.662 5.139 0.523 1
1 1359 . 14 1 1 A 112 112 GLU CB C 112 35.198 34.385 0.813 1
1 1365 . 14 1 1 A 112 112 GLU C C 112 174.483 175.010 -0.527 1
1 1366 . 14 1 1 A 113 113 PHE N N 113 115.033 117.633 -2.600 1
1 1367 . 14 1 1 A 113 113 PHE H H 113 9.278 8.888 0.390 1
1 1368 . 14 1 1 A 113 113 PHE CA C 113 55.857 56.168 -0.311 1
1 1369 . 14 1 1 A 113 113 PHE HA H 113 6.262 5.566 0.696 1
1 1370 . 14 1 1 A 113 113 PHE CB C 113 43.656 42.466 1.190 1
1 1383 . 14 1 1 A 113 113 PHE C C 113 172.253 172.673 -0.420 1
1 1384 . 14 1 1 A 114 114 ALA N N 114 121.461 123.114 -1.653 1
1 1385 . 14 1 1 A 114 114 ALA H H 114 9.475 8.781 0.694 1
1 1386 . 14 1 1 A 114 114 ALA CA C 114 50.860 50.592 0.268 1
1 1387 . 14 1 1 A 114 114 ALA HA H 114 5.026 5.273 -0.247 1
1 1388 . 14 1 1 A 114 114 ALA CB C 114 23.129 22.225 0.904 1
1 1392 . 14 1 1 A 114 114 ALA C C 114 174.903 177.267 -2.364 1
1 1393 . 14 1 1 A 115 115 VAL N N 115 120.899 123.421 -2.522 1
1 1394 . 14 1 1 A 115 115 VAL H H 115 8.928 8.725 0.203 1
1 1395 . 14 1 1 A 115 115 VAL CA C 115 61.379 63.501 -2.122 1
1 1396 . 14 1 1 A 115 115 VAL HA H 115 4.798 4.194 0.604 1
1 1397 . 14 1 1 A 115 115 VAL CB C 115 34.712 32.322 2.390 1
1 1407 . 14 1 1 A 115 115 VAL C C 115 174.444 174.964 -0.520 1
1 1408 . 14 1 1 A 116 116 TYR N N 116 123.426 127.415 -3.989 1
1 1409 . 14 1 1 A 116 116 TYR H H 116 8.963 8.256 0.707 1
1 1410 . 14 1 1 A 116 116 TYR CA C 116 55.480 54.410 1.070 1
1 1411 . 14 1 1 A 116 116 TYR HA H 116 5.081 4.670 0.411 1
1 1412 . 14 1 1 A 116 116 TYR CB C 116 38.928 39.726 -0.798 1
1 1423 . 14 1 1 A 116 116 TYR C C 116 172.208 172.875 -0.667 1
1 1424 . 14 1 1 A 117 117 TYR N N 117 123.249 129.927 -6.678 1
1 1425 . 14 1 1 A 117 117 TYR H H 117 8.858 8.715 0.143 1
1 1426 . 14 1 1 A 117 117 TYR CA C 117 52.371 56.412 -4.041 1
1 1427 . 14 1 1 A 117 117 TYR HA H 117 5.528 4.709 0.819 1
1 1428 . 14 1 1 A 117 117 TYR CB C 117 41.509 40.555 0.954 1
1 1439 . 14 1 1 A 117 117 TYR C C 117 173.159 173.431 -0.272 1
1 1440 . 14 1 1 A 118 118 GLU N N 118 127.681 127.352 0.329 1
1 1441 . 14 1 1 A 118 118 GLU H H 118 9.368 8.177 1.191 1
1 1442 . 14 1 1 A 118 118 GLU CA C 118 54.179 55.227 -1.048 1
1 1443 . 14 1 1 A 118 118 GLU HA H 118 5.085 4.608 0.477 1
1 1444 . 14 1 1 A 118 118 GLU CB C 118 32.099 31.026 1.073 1
1 1450 . 14 1 1 A 118 118 GLU C C 118 175.565 174.895 0.670 1
1 1451 . 14 1 1 A 119 119 CYS N N 119 122.152 123.692 -1.540 1
1 1452 . 14 1 1 A 119 119 CYS H H 119 8.323 8.086 0.237 1
1 1453 . 14 1 1 A 119 119 CYS CA C 119 58.248 58.506 -0.258 1
1 1454 . 14 1 1 A 119 119 CYS HA H 119 4.479 4.522 -0.043 1
1 1455 . 14 1 1 A 119 119 CYS CB C 119 29.065 30.442 -1.377 1
1 1458 . 14 1 1 A 119 119 CYS C C 119 174.586 173.061 1.525 1
1 1459 . 14 1 1 A 120 120 ASN N N 120 126.917 125.115 1.802 1
1 1460 . 14 1 1 A 120 120 ASN H H 120 9.858 9.206 0.652 1
1 1461 . 14 1 1 A 120 120 ASN CA C 120 53.735 54.432 -0.697 1
1 1462 . 14 1 1 A 120 120 ASN HA H 120 4.342 4.364 -0.022 1
1 1463 . 14 1 1 A 120 120 ASN CB C 120 37.873 37.381 0.492 1
1 1469 . 14 1 1 A 120 120 ASN C C 120 174.943 175.365 -0.422 1
1 1470 . 14 1 1 A 121 121 GLY N N 121 104.866 103.694 1.172 1
1 1471 . 14 1 1 A 121 121 GLY H H 121 8.776 8.560 0.216 1
1 1472 . 14 1 1 A 121 121 GLY CA C 121 45.586 46.251 -0.665 1
1 1473 . 14 1 1 A 121 121 GLY HA2 H 121 4.041 3.825 0.216 1
1 1474 . 14 1 1 A 121 121 GLY HA3 H 121 3.553 3.835 -0.282 1
1 1475 . 14 1 1 A 121 121 GLY C C 121 173.804 173.703 0.101 1
1 1476 . 14 1 1 A 122 122 GLN N N 122 119.988 118.424 1.564 1
1 1477 . 14 1 1 A 122 122 GLN H H 122 7.677 7.753 -0.076 1
1 1478 . 14 1 1 A 122 122 GLN CA C 122 53.624 53.447 0.177 1
1 1479 . 14 1 1 A 122 122 GLN HA H 122 4.395 4.731 -0.336 1
1 1480 . 14 1 1 A 122 122 GLN CB C 122 31.456 32.088 -0.632 1
1 1489 . 14 1 1 A 122 122 GLN C C 122 174.029 174.251 -0.222 1
1 1490 . 14 1 1 A 123 123 THR N N 123 116.337 115.579 0.758 1
1 1491 . 14 1 1 A 123 123 THR H H 123 7.990 8.277 -0.287 1
1 1492 . 14 1 1 A 123 123 THR CA C 123 61.935 60.801 1.134 1
1 1493 . 14 1 1 A 123 123 THR HA H 123 4.620 4.736 -0.116 1
1 1494 . 14 1 1 A 123 123 THR CB C 123 70.005 70.969 -0.964 1
1 1500 . 14 1 1 A 123 123 THR C C 123 172.596 173.168 -0.572 1
1 1501 . 14 1 1 A 124 124 TYR N N 124 128.915 124.597 4.318 1
1 1502 . 14 1 1 A 124 124 TYR H H 124 9.416 8.688 0.728 1
1 1503 . 14 1 1 A 124 124 TYR CA C 124 56.388 56.081 0.307 1
1 1504 . 14 1 1 A 124 124 TYR HA H 124 4.962 5.403 -0.441 1
1 1505 . 14 1 1 A 124 124 TYR CB C 124 40.688 41.068 -0.380 1
1 1516 . 14 1 1 A 124 124 TYR C C 124 174.284 174.614 -0.330 1
1 1517 . 14 1 1 A 125 125 TRP N N 125 119.850 123.648 -3.798 1
1 1518 . 14 1 1 A 125 125 TRP H H 125 8.738 9.149 -0.411 1
1 1519 . 14 1 1 A 125 125 TRP CA C 125 56.940 55.397 1.543 1
1 1520 . 14 1 1 A 125 125 TRP HA H 125 5.388 5.659 -0.271 1
1 1521 . 14 1 1 A 125 125 TRP CB C 125 33.031 31.430 1.601 1
1 1536 . 14 1 1 A 125 125 TRP C C 125 176.973 174.865 2.108 1
1 1537 . 14 1 1 A 126 126 ASP N N 126 118.759 126.301 -7.542 1
1 1538 . 14 1 1 A 126 126 ASP H H 126 9.436 8.919 0.517 1
1 1539 . 14 1 1 A 126 126 ASP CA C 126 53.968 52.968 1.000 1
1 1540 . 14 1 1 A 126 126 ASP HA H 126 5.213 4.957 0.256 1
1 1541 . 14 1 1 A 126 126 ASP CB C 126 42.641 41.564 1.077 1
1 1544 . 14 1 1 A 126 126 ASP C C 126 176.043 174.707 1.336 1
1 1545 . 14 1 1 A 127 127 SER N N 127 119.074 119.883 -0.809 1
1 1546 . 14 1 1 A 127 127 SER H H 127 8.520 8.665 -0.145 1
1 1547 . 14 1 1 A 127 127 SER CA C 127 55.118 56.661 -1.543 1
1 1548 . 14 1 1 A 127 127 SER HA H 127 4.811 4.988 -0.177 1
1 1549 . 14 1 1 A 127 127 SER CB C 127 63.866 64.295 -0.429 1
1 1552 . 14 1 1 A 127 127 SER C C 127 175.840 173.591 2.249 1
1 1553 . 14 1 1 A 128 128 ASN N N 128 124.865 118.936 5.929 1
1 1554 . 14 1 1 A 128 128 ASN H H 128 9.242 8.671 0.571 1
1 1555 . 14 1 1 A 128 128 ASN CA C 128 53.224 54.019 -0.795 1
1 1556 . 14 1 1 A 128 128 ASN HA H 128 4.071 3.767 0.304 1
1 1557 . 14 1 1 A 128 128 ASN CB C 128 34.281 36.293 -2.012 1
1 1563 . 14 1 1 A 128 128 ASN C C 128 176.607 174.277 2.330 1
1 1564 . 14 1 1 A 129 129 ARG N N 129 114.718 110.447 4.271 1
1 1565 . 14 1 1 A 129 129 ARG H H 129 9.475 8.301 1.174 1
1 1566 . 14 1 1 A 129 129 ARG CA C 129 56.798 57.155 -0.357 1
1 1567 . 14 1 1 A 129 129 ARG HA H 129 3.774 3.823 -0.049 1
1 1568 . 14 1 1 A 129 129 ARG CB C 129 27.145 27.626 -0.481 1
1 1579 . 14 1 1 A 129 129 ARG C C 129 176.132 175.779 0.353 1
1 1580 . 14 1 1 A 130 130 GLY N N 130 106.337 106.205 0.132 1
1 1581 . 14 1 1 A 130 130 GLY H H 130 7.568 8.193 -0.625 1
1 1582 . 14 1 1 A 130 130 GLY CA C 130 44.896 45.935 -1.039 1
1 1583 . 14 1 1 A 130 130 GLY HA2 H 130 4.103 4.016 0.087 1
1 1584 . 14 1 1 A 130 130 GLY HA3 H 130 3.425 4.038 -0.613 1
1 1585 . 14 1 1 A 130 130 GLY C C 130 174.521 174.282 0.239 1
1 1586 . 14 1 1 A 131 131 LYS N N 131 119.902 121.728 -1.826 1
1 1587 . 14 1 1 A 131 131 LYS H H 131 7.278 8.120 -0.842 1
1 1588 . 14 1 1 A 131 131 LYS CA C 131 57.336 57.928 -0.592 1
1 1589 . 14 1 1 A 131 131 LYS HA H 131 4.132 4.224 -0.092 1
1 1590 . 14 1 1 A 131 131 LYS CB C 131 33.719 32.763 0.956 1
1 1602 . 14 1 1 A 131 131 LYS C C 131 177.813 176.573 1.240 1
1 1603 . 14 1 1 A 132 132 ASN N N 132 107.489 112.013 -4.524 1
1 1604 . 14 1 1 A 132 132 ASN H H 132 8.268 7.708 0.560 1
1 1605 . 14 1 1 A 132 132 ASN CA C 132 54.717 52.094 2.623 1
1 1606 . 14 1 1 A 132 132 ASN HA H 132 3.691 4.809 -1.118 1
1 1607 . 14 1 1 A 132 132 ASN CB C 132 39.462 40.819 -1.357 1
1 1613 . 14 1 1 A 132 132 ASN C C 132 172.611 172.849 -0.238 1
1 1614 . 14 1 1 A 133 133 TYR N N 133 120.541 120.457 0.084 1
1 1615 . 14 1 1 A 133 133 TYR H H 133 8.696 8.370 0.326 1
1 1616 . 14 1 1 A 133 133 TYR CA C 133 58.334 58.103 0.231 1
1 1617 . 14 1 1 A 133 133 TYR HA H 133 3.879 4.224 -0.345 1
1 1618 . 14 1 1 A 133 133 TYR CB C 133 35.955 37.041 -1.086 1
1 1627 . 14 1 1 A 133 133 TYR C C 133 175.026 175.105 -0.079 1
1 1628 . 14 1 1 A 134 134 ARG N N 134 123.205 126.056 -2.851 1
1 1629 . 14 1 1 A 134 134 ARG H H 134 8.584 8.534 0.050 1
1 1630 . 14 1 1 A 134 134 ARG CA C 134 56.025 56.349 -0.324 1
1 1631 . 14 1 1 A 134 134 ARG HA H 134 5.043 5.133 -0.090 1
1 1632 . 14 1 1 A 134 134 ARG CB C 134 32.734 30.747 1.987 1
1 1643 . 14 1 1 A 134 134 ARG C C 134 174.511 175.207 -0.696 1
1 1644 . 14 1 1 A 135 135 ILE N N 135 124.430 128.416 -3.986 1
1 1645 . 14 1 1 A 135 135 ILE H H 135 8.429 8.676 -0.247 1
1 1646 . 14 1 1 A 135 135 ILE CA C 135 61.078 60.333 0.745 1
1 1647 . 14 1 1 A 135 135 ILE HA H 135 4.797 4.859 -0.062 1
1 1648 . 14 1 1 A 135 135 ILE CB C 135 39.875 39.467 0.408 1
1 1661 . 14 1 1 A 135 135 ILE C C 135 175.279 176.098 -0.819 1
1 1662 . 14 1 1 A 136 136 ILE N N 136 120.496 123.458 -2.962 1
1 1663 . 14 1 1 A 136 136 ILE H H 136 9.000 9.036 -0.036 1
1 1664 . 14 1 1 A 136 136 ILE CA C 136 59.359 59.198 0.161 1
1 1665 . 14 1 1 A 136 136 ILE HA H 136 5.028 5.218 -0.190 1
1 1666 . 14 1 1 A 136 136 ILE CB C 136 42.170 40.865 1.305 1
1 1679 . 14 1 1 A 136 136 ILE C C 136 175.144 175.518 -0.374 1
1 1680 . 14 1 1 A 137 137 ARG N N 137 122.183 124.553 -2.370 1
1 1681 . 14 1 1 A 137 137 ARG H H 137 8.535 8.488 0.047 1
1 1682 . 14 1 1 A 137 137 ARG CA C 137 56.339 55.985 0.354 1
1 1683 . 14 1 1 A 137 137 ARG HA H 137 4.402 4.347 0.055 1
1 1684 . 14 1 1 A 137 137 ARG CB C 137 30.696 31.193 -0.497 1
1 1695 . 14 1 1 A 137 137 ARG C C 137 176.646 177.450 -0.804 1
1 1696 . 14 1 1 A 138 138 ALA N N 138 126.694 126.060 0.634 1
1 1697 . 14 1 1 A 138 138 ALA H H 138 8.353 8.549 -0.196 1
1 1698 . 14 1 1 A 138 138 ALA CA C 138 52.808 54.664 -1.856 1
1 1699 . 14 1 1 A 138 138 ALA HA H 138 4.134 4.046 0.088 1
1 1700 . 14 1 1 A 138 138 ALA CB C 138 19.536 18.136 1.400 1
1 1704 . 14 1 1 A 138 138 ALA C C 138 177.637 179.688 -2.051 1
1 1705 . 14 1 1 A 139 139 GLU N N 139 119.890 116.643 3.247 1
1 1706 . 14 1 1 A 139 139 GLU H H 139 8.615 8.082 0.533 1
1 1707 . 14 1 1 A 139 139 GLU CA C 139 56.586 59.087 -2.501 1
1 1708 . 14 1 1 A 139 139 GLU HA H 139 4.268 4.067 0.201 1
1 1709 . 14 1 1 A 139 139 GLU CB C 139 30.137 29.275 0.862 1
1 1715 . 14 1 1 A 139 139 GLU C C 139 176.488 179.105 -2.617 1
1 1716 . 14 1 1 A 140 140 LEU N N 140 123.350 120.322 3.028 1
1 1717 . 14 1 1 A 140 140 LEU H H 140 8.224 8.184 0.040 1
1 1718 . 14 1 1 A 140 140 LEU CA C 140 55.185 57.786 -2.601 1
1 1719 . 14 1 1 A 140 140 LEU HA H 140 4.339 3.961 0.378 1
1 1720 . 14 1 1 A 140 140 LEU CB C 140 42.294 41.541 0.753 1
1 1733 . 14 1 1 A 140 140 LEU C C 140 177.456 178.239 -0.783 1
1 1734 . 14 1 1 A 141 141 LYS N N 141 122.155 119.686 2.469 1
1 1735 . 14 1 1 A 141 141 LYS H H 141 8.239 7.699 0.540 1
1 1736 . 14 1 1 A 141 141 LYS CA C 141 56.480 56.644 -0.164 1
1 1737 . 14 1 1 A 141 141 LYS HA H 141 4.309 4.261 0.048 1
1 1738 . 14 1 1 A 141 141 LYS CB C 141 32.976 32.873 0.103 1
1 1750 . 14 1 1 A 141 141 LYS C C 141 176.734 175.368 1.366 1
1 1751 . 14 1 1 A 142 142 SER N N 142 116.816 123.592 -6.776 1
1 1752 . 14 1 1 A 142 142 SER H H 142 8.369 8.681 -0.312 1
1 1753 . 14 1 1 A 142 142 SER CA C 142 58.425 55.910 2.515 1
1 1754 . 14 1 1 A 142 142 SER HA H 142 4.529 5.072 -0.543 1
1 1755 . 14 1 1 A 142 142 SER CB C 142 63.836 65.161 -1.325 1
1 1758 . 14 1 1 A 142 142 SER C C 142 175.185 173.527 1.658 1
1 1759 . 14 1 1 A 143 143 THR N N 143 115.566 118.099 -2.533 1
1 1760 . 14 1 1 A 143 143 THR H H 143 8.235 8.620 -0.385 1
1 1761 . 14 1 1 A 143 143 THR CA C 143 61.999 62.581 -0.582 1
1 1762 . 14 1 1 A 143 143 THR HA H 143 4.389 4.200 0.189 1
1 1763 . 14 1 1 A 143 143 THR CB C 143 69.634 69.193 0.441 1
1 1769 . 14 1 1 A 143 143 THR C C 143 174.937 173.862 1.075 1
1 1770 . 14 1 1 A 144 144 GLN N N 144 122.469 125.726 -3.257 1
1 1771 . 14 1 1 A 144 144 GLN H H 144 8.345 8.814 -0.469 1
1 1772 . 14 1 1 A 144 144 GLN CA C 144 56.480 54.289 2.191 1
1 1773 . 14 1 1 A 144 144 GLN HA H 144 4.307 5.120 -0.813 1
1 1774 . 14 1 1 A 144 144 GLN CB C 144 29.307 32.271 -2.964 1
1 1783 . 14 1 1 A 144 144 GLN C C 144 176.536 174.346 2.190 1
1 1784 . 14 1 1 A 145 145 GLY N N 145 110.021 109.460 0.561 1
1 1785 . 14 1 1 A 145 145 GLY H H 145 8.461 8.509 -0.048 1
1 1786 . 14 1 1 A 145 145 GLY CA C 145 45.355 46.059 -0.704 1
1 1787 . 14 1 1 A 145 145 GLY HA2 H 145 3.967 4.190 -0.223 1
1 1788 . 14 1 1 A 145 145 GLY HA3 H 145 3.967 4.192 -0.225 1
1 1789 . 14 1 1 A 145 145 GLY C C 145 174.123 172.603 1.520 1
1 1790 . 14 1 1 A 146 146 MET N N 146 119.836 122.066 -2.230 1
1 1791 . 14 1 1 A 146 146 MET H H 146 8.197 8.742 -0.545 1
1 1792 . 14 1 1 A 146 146 MET CA C 146 55.594 54.553 1.041 1
1 1793 . 14 1 1 A 146 146 MET HA H 146 4.538 5.282 -0.744 1
1 1794 . 14 1 1 A 146 146 MET CB C 146 33.090 35.614 -2.524 1
1 1804 . 14 1 1 A 146 146 MET C C 146 176.454 174.755 1.699 1
1 1805 . 14 1 1 A 147 147 THR N N 147 116.248 114.824 1.424 1
1 1806 . 14 1 1 A 147 147 THR H H 147 8.239 8.665 -0.426 1
1 1807 . 14 1 1 A 147 147 THR CA C 147 61.959 59.998 1.961 1
1 1808 . 14 1 1 A 147 147 THR HA H 147 4.318 5.157 -0.839 1
1 1809 . 14 1 1 A 147 147 THR CB C 147 69.875 71.453 -1.578 1
1 1815 . 14 1 1 A 147 147 THR C C 147 174.141 173.739 0.402 1
1 1816 . 14 1 1 A 148 148 LYS N N 148 125.399 121.449 3.950 1
1 1817 . 14 1 1 A 148 148 LYS H H 148 8.387 8.305 0.082 1
1 1818 . 14 1 1 A 148 148 LYS CA C 148 54.186 52.856 1.330 1
1 1819 . 14 1 1 A 148 148 LYS HA H 148 4.617 4.851 -0.234 1
1 1820 . 14 1 1 A 148 148 LYS CB C 148 32.651 35.063 -2.412 1
1 1832 . 14 1 1 A 148 148 LYS C C 148 174.388 175.643 -1.255 1
1 1833 . 14 1 1 A 149 149 PRO CA C 149 63.178 65.101 -1.923 1
1 1834 . 14 1 1 A 149 149 PRO HA H 149 4.406 4.036 0.370 1
1 1835 . 14 1 1 A 149 149 PRO CB C 149 32.164 31.678 0.486 1
1 1844 . 14 1 1 A 150 150 HIS CA C 150 56.264 56.840 -0.576 1
1 1845 . 14 1 1 A 150 150 HIS HA H 150 4.626 4.245 0.381 1
1 1846 . 14 1 1 A 150 150 HIS CB C 150 30.574 27.481 3.093 1
1 1852 . 14 1 1 A 151 151 SER CA C 151 58.018 59.740 -1.722 1
1 1853 . 14 1 1 A 151 151 SER HA H 151 4.475 4.600 -0.125 1
1 1854 . 14 1 1 A 151 151 SER CB C 151 64.139 65.412 -1.273 1
1 1856 . 14 1 1 A 151 151 SER C C 151 174.253 174.413 -0.160 1
1 1857 . 14 1 1 A 152 152 GLY N N 152 110.964 107.489 3.475 1
1 1858 . 14 1 1 A 152 152 GLY H H 152 8.276 7.895 0.381 1
1 1859 . 14 1 1 A 152 152 GLY CA C 152 44.637 43.891 0.746 1
1 1860 . 14 1 1 A 152 152 GLY HA2 H 152 4.120 4.131 -0.011 1
1 1861 . 14 1 1 A 152 152 GLY HA3 H 152 4.120 4.136 -0.016 1
1 1862 . 14 1 1 A 152 152 GLY C C 152 171.668 173.655 -1.987 1
1 1863 . 14 1 1 A 153 153 PRO CA C 153 63.147 62.760 0.387 1
1 1864 . 14 1 1 A 153 153 PRO HA H 153 4.425 4.659 -0.234 1
1 1865 . 14 1 1 A 153 153 PRO CB C 153 32.149 32.449 -0.300 1
1 1874 . 14 1 1 A 153 153 PRO C C 153 176.656 176.942 -0.286 1
1 1875 . 14 1 1 A 154 154 ASP N N 154 120.420 121.992 -1.572 1
1 1876 . 14 1 1 A 154 154 ASP H H 154 8.463 8.643 -0.180 1
1 1877 . 14 1 1 A 154 154 ASP CA C 154 54.429 56.495 -2.066 1
1 1878 . 14 1 1 A 154 154 ASP HA H 154 4.575 4.584 -0.009 1
1 1879 . 14 1 1 A 154 154 ASP CB C 154 40.979 41.789 -0.810 1
1 1882 . 14 1 1 A 154 154 ASP C C 154 176.163 175.944 0.219 1
1 1883 . 14 1 1 A 155 155 LEU N N 155 123.563 119.356 4.207 1
1 1884 . 14 1 1 A 155 155 LEU H H 155 8.266 7.810 0.456 1
1 1885 . 14 1 1 A 155 155 LEU CA C 155 55.022 54.639 0.383 1
1 1886 . 14 1 1 A 155 155 LEU HA H 155 4.358 4.478 -0.120 1
1 1887 . 14 1 1 A 155 155 LEU CB C 155 42.157 43.178 -1.021 1
1 1900 . 14 1 1 A 155 155 LEU C C 155 176.990 177.493 -0.503 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.655 57.087 1.568 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.501 4.768 -0.267 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.644 63.693 -0.049 1
1 6 . 15 1 1 A 6 6 SER C C 6 175.063 173.145 1.918 1
1 7 . 15 1 1 A 7 7 GLY N N 7 111.113 113.852 -2.739 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.473 8.544 -0.071 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.373 45.266 0.107 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 3.967 4.211 -0.244 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 3.967 4.214 -0.247 1
1 12 . 15 1 1 A 7 7 GLY C C 7 173.934 173.435 0.499 1
1 13 . 15 1 1 A 8 8 ALA N N 8 123.788 121.394 2.394 1
1 14 . 15 1 1 A 8 8 ALA H H 8 8.197 8.196 0.001 1
1 15 . 15 1 1 A 8 8 ALA CA C 8 52.548 51.233 1.315 1
1 16 . 15 1 1 A 8 8 ALA HA H 8 4.342 4.510 -0.168 1
1 17 . 15 1 1 A 8 8 ALA CB C 8 19.403 18.835 0.568 1
1 21 . 15 1 1 A 8 8 ALA C C 8 177.902 177.452 0.450 1
1 22 . 15 1 1 A 9 9 GLU N N 9 120.004 119.394 0.610 1
1 23 . 15 1 1 A 9 9 GLU H H 9 8.524 7.658 0.866 1
1 24 . 15 1 1 A 9 9 GLU CA C 9 56.763 55.821 0.942 1
1 25 . 15 1 1 A 9 9 GLU HA H 9 4.308 4.640 -0.332 1
1 26 . 15 1 1 A 9 9 GLU CB C 9 30.161 29.837 0.324 1
1 32 . 15 1 1 A 9 9 GLU C C 9 176.646 175.439 1.207 1
1 33 . 15 1 1 A 10 10 SER N N 10 116.268 119.415 -3.147 1
1 34 . 15 1 1 A 10 10 SER H H 10 8.305 8.837 -0.532 1
1 35 . 15 1 1 A 10 10 SER CA C 10 58.426 56.612 1.814 1
1 36 . 15 1 1 A 10 10 SER HA H 10 4.429 5.367 -0.938 1
1 37 . 15 1 1 A 10 10 SER CB C 10 63.933 64.476 -0.543 1
1 40 . 15 1 1 A 10 10 SER C C 10 174.267 173.535 0.732 1
1 41 . 15 1 1 A 11 11 GLU N N 11 122.435 125.943 -3.508 1
1 42 . 15 1 1 A 11 11 GLU H H 11 8.368 8.716 -0.348 1
1 43 . 15 1 1 A 11 11 GLU CA C 11 56.233 54.616 1.617 1
1 44 . 15 1 1 A 11 11 GLU HA H 11 4.367 4.679 -0.312 1
1 45 . 15 1 1 A 11 11 GLU CB C 11 30.692 30.831 -0.139 1
1 51 . 15 1 1 A 11 11 GLU C C 11 175.800 176.571 -0.771 1
1 52 . 15 1 1 A 12 12 SER N N 12 116.596 116.159 0.437 1
1 53 . 15 1 1 A 12 12 SER H H 12 8.299 8.519 -0.220 1
1 54 . 15 1 1 A 12 12 SER CA C 12 58.355 58.891 -0.536 1
1 55 . 15 1 1 A 12 12 SER HA H 12 4.457 4.590 -0.133 1
1 56 . 15 1 1 A 12 12 SER CB C 12 64.573 64.017 0.556 1
1 59 . 15 1 1 A 12 12 SER C C 12 173.309 173.187 0.122 1
1 60 . 15 1 1 A 13 13 PHE N N 13 121.293 119.428 1.865 1
1 61 . 15 1 1 A 13 13 PHE H H 13 8.346 9.090 -0.744 1
1 62 . 15 1 1 A 13 13 PHE CA C 13 56.851 56.241 0.610 1
1 63 . 15 1 1 A 13 13 PHE HA H 13 5.384 5.323 0.061 1
1 64 . 15 1 1 A 13 13 PHE CB C 13 42.542 44.001 -1.459 1
1 77 . 15 1 1 A 13 13 PHE C C 13 174.500 174.567 -0.067 1
1 78 . 15 1 1 A 14 14 VAL N N 14 116.020 116.455 -0.435 1
1 79 . 15 1 1 A 14 14 VAL H H 14 9.313 8.884 0.429 1
1 80 . 15 1 1 A 14 14 VAL CA C 14 60.141 59.534 0.607 1
1 81 . 15 1 1 A 14 14 VAL HA H 14 4.455 4.922 -0.467 1
1 82 . 15 1 1 A 14 14 VAL CB C 14 36.318 36.432 -0.114 1
1 92 . 15 1 1 A 14 14 VAL C C 14 174.668 174.355 0.313 1
1 93 . 15 1 1 A 15 15 LEU N N 15 121.725 121.385 0.340 1
1 94 . 15 1 1 A 15 15 LEU H H 15 8.476 8.623 -0.147 1
1 95 . 15 1 1 A 15 15 LEU CA C 15 54.800 53.037 1.763 1
1 96 . 15 1 1 A 15 15 LEU HA H 15 4.403 4.950 -0.547 1
1 97 . 15 1 1 A 15 15 LEU CB C 15 39.816 43.458 -3.642 1
1 110 . 15 1 1 A 15 15 LEU C C 15 177.001 176.062 0.939 1
1 111 . 15 1 1 A 16 16 ASP N N 16 126.576 124.698 1.878 1
1 112 . 15 1 1 A 16 16 ASP H H 16 8.766 8.403 0.363 1
1 113 . 15 1 1 A 16 16 ASP CA C 16 52.828 53.298 -0.470 1
1 114 . 15 1 1 A 16 16 ASP HA H 16 5.081 4.848 0.233 1
1 115 . 15 1 1 A 16 16 ASP CB C 16 42.268 41.246 1.022 1
1 118 . 15 1 1 A 16 16 ASP C C 16 174.640 175.509 -0.869 1
1 119 . 15 1 1 A 17 17 PHE N N 17 112.958 117.593 -4.635 1
1 120 . 15 1 1 A 17 17 PHE H H 17 6.915 7.057 -0.142 1
1 121 . 15 1 1 A 17 17 PHE CA C 17 55.489 55.686 -0.197 1
1 122 . 15 1 1 A 17 17 PHE HA H 17 4.938 5.402 -0.464 1
1 123 . 15 1 1 A 17 17 PHE CB C 17 39.154 42.053 -2.899 1
1 136 . 15 1 1 A 17 17 PHE C C 17 173.746 173.941 -0.195 1
1 137 . 15 1 1 A 18 18 SER N N 18 114.977 114.710 0.267 1
1 138 . 15 1 1 A 18 18 SER H H 18 8.569 8.833 -0.264 1
1 139 . 15 1 1 A 18 18 SER CA C 18 57.046 57.829 -0.783 1
1 140 . 15 1 1 A 18 18 SER HA H 18 4.670 4.670 0.000 1
1 141 . 15 1 1 A 18 18 SER CB C 18 63.974 63.911 0.063 1
1 144 . 15 1 1 A 18 18 SER C C 18 175.437 174.636 0.801 1
1 145 . 15 1 1 A 19 19 GLN N N 19 123.586 122.604 0.982 1
1 146 . 15 1 1 A 19 19 GLN H H 19 9.033 8.639 0.394 1
1 147 . 15 1 1 A 19 19 GLN CA C 19 54.023 54.958 -0.935 1
1 148 . 15 1 1 A 19 19 GLN HA H 19 4.558 4.523 0.035 1
1 149 . 15 1 1 A 19 19 GLN CB C 19 27.994 28.453 -0.459 1
1 158 . 15 1 1 A 19 19 GLN C C 19 177.642 176.290 1.352 1
1 159 . 15 1 1 A 20 20 PRO CA C 20 65.836 65.244 0.592 1
1 160 . 15 1 1 A 20 20 PRO HA H 20 4.370 4.504 -0.134 1
1 161 . 15 1 1 A 20 20 PRO CB C 20 32.556 32.219 0.337 1
1 170 . 15 1 1 A 20 20 PRO C C 20 178.374 178.518 -0.144 1
1 171 . 15 1 1 A 21 21 SER N N 21 104.386 112.439 -8.053 1
1 172 . 15 1 1 A 21 21 SER H H 21 7.216 7.973 -0.757 1
1 173 . 15 1 1 A 21 21 SER CA C 21 58.886 61.234 -2.348 1
1 174 . 15 1 1 A 21 21 SER HA H 21 3.271 3.893 -0.622 1
1 175 . 15 1 1 A 21 21 SER CB C 21 62.401 62.147 0.254 1
1 178 . 15 1 1 A 21 21 SER C C 21 174.423 176.791 -2.368 1
1 179 . 15 1 1 A 22 22 ALA N N 22 123.008 123.087 -0.079 1
1 180 . 15 1 1 A 22 22 ALA H H 22 7.700 7.959 -0.259 1
1 181 . 15 1 1 A 22 22 ALA CA C 22 53.968 55.453 -1.485 1
1 182 . 15 1 1 A 22 22 ALA HA H 22 4.198 4.089 0.109 1
1 183 . 15 1 1 A 22 22 ALA CB C 22 18.504 18.974 -0.470 1
1 187 . 15 1 1 A 22 22 ALA C C 22 177.624 177.406 0.218 1
1 188 . 15 1 1 A 23 23 ASP N N 23 117.789 117.511 0.278 1
1 189 . 15 1 1 A 23 23 ASP H H 23 7.080 7.828 -0.748 1
1 190 . 15 1 1 A 23 23 ASP CA C 23 52.151 53.135 -0.984 1
1 191 . 15 1 1 A 23 23 ASP HA H 23 4.893 4.931 -0.038 1
1 192 . 15 1 1 A 23 23 ASP CB C 23 40.592 41.139 -0.547 1
1 195 . 15 1 1 A 23 23 ASP C C 23 175.032 175.938 -0.906 1
1 196 . 15 1 1 A 24 24 TYR N N 24 123.295 126.781 -3.486 1
1 197 . 15 1 1 A 24 24 TYR H H 24 8.217 8.968 -0.751 1
1 198 . 15 1 1 A 24 24 TYR CA C 24 61.711 61.643 0.068 1
1 199 . 15 1 1 A 24 24 TYR HA H 24 4.196 4.019 0.177 1
1 200 . 15 1 1 A 24 24 TYR CB C 24 38.456 39.494 -1.038 1
1 211 . 15 1 1 A 24 24 TYR C C 24 177.434 177.225 0.209 1
1 212 . 15 1 1 A 25 25 LEU N N 25 119.429 120.913 -1.484 1
1 213 . 15 1 1 A 25 25 LEU H H 25 8.074 8.505 -0.431 1
1 214 . 15 1 1 A 25 25 LEU CA C 25 57.691 58.286 -0.595 1
1 215 . 15 1 1 A 25 25 LEU HA H 25 3.967 3.636 0.331 1
1 216 . 15 1 1 A 25 25 LEU CB C 25 41.388 41.587 -0.199 1
1 229 . 15 1 1 A 25 25 LEU C C 25 178.768 178.411 0.357 1
1 230 . 15 1 1 A 26 26 ASP N N 26 119.881 118.741 1.140 1
1 231 . 15 1 1 A 26 26 ASP H H 26 7.561 8.297 -0.736 1
1 232 . 15 1 1 A 26 26 ASP CA C 26 57.625 56.764 0.861 1
1 233 . 15 1 1 A 26 26 ASP HA H 26 4.367 4.315 0.052 1
1 234 . 15 1 1 A 26 26 ASP CB C 26 42.955 41.324 1.631 1
1 237 . 15 1 1 A 26 26 ASP C C 26 177.657 178.490 -0.833 1
1 238 . 15 1 1 A 27 27 PHE N N 27 118.946 120.225 -1.279 1
1 239 . 15 1 1 A 27 27 PHE H H 27 8.750 8.180 0.570 1
1 240 . 15 1 1 A 27 27 PHE CA C 27 61.323 61.211 0.112 1
1 241 . 15 1 1 A 27 27 PHE HA H 27 4.088 4.144 -0.056 1
1 242 . 15 1 1 A 27 27 PHE CB C 27 39.606 39.586 0.020 1
1 255 . 15 1 1 A 27 27 PHE C C 27 176.662 177.264 -0.602 1
1 256 . 15 1 1 A 28 28 ARG N N 28 116.744 118.762 -2.018 1
1 257 . 15 1 1 A 28 28 ARG H H 28 8.079 8.546 -0.467 1
1 258 . 15 1 1 A 28 28 ARG CA C 28 59.051 58.816 0.235 1
1 259 . 15 1 1 A 28 28 ARG HA H 28 3.590 3.928 -0.338 1
1 260 . 15 1 1 A 28 28 ARG CB C 28 29.516 29.713 -0.197 1
1 269 . 15 1 1 A 28 28 ARG C C 28 179.306 178.135 1.171 1
1 270 . 15 1 1 A 29 29 ASN N N 29 119.381 117.630 1.751 1
1 271 . 15 1 1 A 29 29 ASN H H 29 8.106 8.250 -0.144 1
1 272 . 15 1 1 A 29 29 ASN CA C 29 55.861 55.653 0.208 1
1 273 . 15 1 1 A 29 29 ASN HA H 29 4.361 4.416 -0.055 1
1 274 . 15 1 1 A 29 29 ASN CB C 29 37.622 37.863 -0.241 1
1 280 . 15 1 1 A 29 29 ASN C C 29 178.555 178.486 0.069 1
1 281 . 15 1 1 A 30 30 ARG N N 30 123.244 119.992 3.252 1
1 282 . 15 1 1 A 30 30 ARG H H 30 8.640 7.699 0.941 1
1 283 . 15 1 1 A 30 30 ARG CA C 30 59.708 58.593 1.115 1
1 284 . 15 1 1 A 30 30 ARG HA H 30 3.912 3.966 -0.054 1
1 285 . 15 1 1 A 30 30 ARG CB C 30 30.910 29.880 1.030 1
1 296 . 15 1 1 A 30 30 ARG C C 30 178.651 179.016 -0.365 1
1 297 . 15 1 1 A 31 31 LEU N N 31 119.911 121.231 -1.320 1
1 298 . 15 1 1 A 31 31 LEU H H 31 7.988 7.531 0.457 1
1 299 . 15 1 1 A 31 31 LEU CA C 31 58.049 56.642 1.407 1
1 300 . 15 1 1 A 31 31 LEU HA H 31 3.409 3.867 -0.458 1
1 301 . 15 1 1 A 31 31 LEU CB C 31 41.342 41.105 0.237 1
1 314 . 15 1 1 A 31 31 LEU C C 31 178.698 177.828 0.870 1
1 315 . 15 1 1 A 32 32 GLN N N 32 114.904 117.895 -2.991 1
1 316 . 15 1 1 A 32 32 GLN H H 32 7.416 7.534 -0.118 1
1 317 . 15 1 1 A 32 32 GLN CA C 32 58.019 56.836 1.183 1
1 318 . 15 1 1 A 32 32 GLN HA H 32 3.891 4.052 -0.161 1
1 319 . 15 1 1 A 32 32 GLN CB C 32 28.679 28.936 -0.257 1
1 328 . 15 1 1 A 32 32 GLN C C 32 176.457 176.724 -0.267 1
1 329 . 15 1 1 A 33 33 ALA N N 33 119.088 120.789 -1.701 1
1 330 . 15 1 1 A 33 33 ALA H H 33 7.791 7.225 0.566 1
1 331 . 15 1 1 A 33 33 ALA CA C 33 54.057 52.763 1.294 1
1 332 . 15 1 1 A 33 33 ALA HA H 33 4.099 4.166 -0.067 1
1 333 . 15 1 1 A 33 33 ALA CB C 33 19.921 19.361 0.560 1
1 337 . 15 1 1 A 33 33 ALA C C 33 178.303 176.967 1.336 1
1 338 . 15 1 1 A 34 34 ASP N N 34 115.377 117.571 -2.194 1
1 339 . 15 1 1 A 34 34 ASP H H 34 8.662 8.041 0.621 1
1 340 . 15 1 1 A 34 34 ASP CA C 34 55.153 52.936 2.217 1
1 341 . 15 1 1 A 34 34 ASP HA H 34 4.698 4.697 0.001 1
1 342 . 15 1 1 A 34 34 ASP CB C 34 41.976 41.408 0.568 1
1 345 . 15 1 1 A 34 34 ASP C C 34 177.531 175.468 2.063 1
1 346 . 15 1 1 A 35 35 HIS N N 35 108.110 115.930 -7.820 1
1 347 . 15 1 1 A 35 35 HIS H H 35 7.018 7.598 -0.580 1
1 348 . 15 1 1 A 35 35 HIS CA C 35 58.336 56.688 1.648 1
1 349 . 15 1 1 A 35 35 HIS HA H 35 4.543 4.346 0.197 1
1 350 . 15 1 1 A 35 35 HIS CB C 35 26.472 26.591 -0.119 1
1 357 . 15 1 1 A 35 35 HIS C C 35 171.507 173.258 -1.751 1
1 358 . 15 1 1 A 36 36 VAL N N 36 115.529 116.558 -1.029 1
1 359 . 15 1 1 A 36 36 VAL H H 36 7.065 7.380 -0.315 1
1 360 . 15 1 1 A 36 36 VAL CA C 36 58.549 60.620 -2.071 1
1 361 . 15 1 1 A 36 36 VAL HA H 36 4.867 4.253 0.614 1
1 362 . 15 1 1 A 36 36 VAL CB C 36 33.135 34.150 -1.015 1
1 372 . 15 1 1 A 36 36 VAL C C 36 171.953 173.701 -1.748 1
1 373 . 15 1 1 A 37 37 CYS N N 37 124.685 124.750 -0.065 1
1 374 . 15 1 1 A 37 37 CYS H H 37 8.694 8.278 0.416 1
1 375 . 15 1 1 A 37 37 CYS CA C 37 59.979 58.707 1.272 1
1 376 . 15 1 1 A 37 37 CYS HA H 37 4.594 5.101 -0.507 1
1 377 . 15 1 1 A 37 37 CYS CB C 37 29.016 31.285 -2.269 1
1 380 . 15 1 1 A 37 37 CYS C C 37 173.445 173.216 0.229 1
1 381 . 15 1 1 A 38 38 LEU N N 38 132.291 128.301 3.990 1
1 382 . 15 1 1 A 38 38 LEU H H 38 9.625 8.711 0.914 1
1 383 . 15 1 1 A 38 38 LEU CA C 38 57.958 56.270 1.688 1
1 384 . 15 1 1 A 38 38 LEU HA H 38 4.167 4.483 -0.316 1
1 385 . 15 1 1 A 38 38 LEU CB C 38 42.189 42.482 -0.293 1
1 398 . 15 1 1 A 38 38 LEU C C 38 173.188 177.309 -4.121 1
1 399 . 15 1 1 A 39 39 GLU N N 39 127.988 128.338 -0.350 1
1 400 . 15 1 1 A 39 39 GLU H H 39 9.267 9.080 0.187 1
1 401 . 15 1 1 A 39 39 GLU CA C 39 57.435 58.537 -1.102 1
1 402 . 15 1 1 A 39 39 GLU HA H 39 4.521 4.294 0.227 1
1 403 . 15 1 1 A 39 39 GLU CB C 39 31.891 30.246 1.645 1
1 409 . 15 1 1 A 39 39 GLU C C 39 175.300 176.456 -1.156 1
1 410 . 15 1 1 A 40 40 ASN N N 40 115.109 113.344 1.765 1
1 411 . 15 1 1 A 40 40 ASN H H 40 7.757 7.785 -0.028 1
1 412 . 15 1 1 A 40 40 ASN CA C 40 52.151 51.571 0.580 1
1 413 . 15 1 1 A 40 40 ASN HA H 40 5.353 5.352 0.001 1
1 414 . 15 1 1 A 40 40 ASN CB C 40 43.324 41.692 1.632 1
1 420 . 15 1 1 A 40 40 ASN C C 40 173.918 173.328 0.590 1
1 421 . 15 1 1 A 41 41 CYS N N 41 120.861 119.545 1.316 1
1 422 . 15 1 1 A 41 41 CYS H H 41 9.646 9.087 0.559 1
1 423 . 15 1 1 A 41 41 CYS CA C 41 58.934 57.329 1.605 1
1 424 . 15 1 1 A 41 41 CYS HA H 41 5.167 5.256 -0.089 1
1 425 . 15 1 1 A 41 41 CYS CB C 41 30.293 30.543 -0.250 1
1 428 . 15 1 1 A 41 41 CYS C C 41 171.600 173.479 -1.879 1
1 429 . 15 1 1 A 42 42 VAL N N 42 126.721 123.282 3.439 1
1 430 . 15 1 1 A 42 42 VAL H H 42 9.532 9.128 0.404 1
1 431 . 15 1 1 A 42 42 VAL CA C 42 60.463 59.402 1.061 1
1 432 . 15 1 1 A 42 42 VAL HA H 42 4.454 5.024 -0.570 1
1 433 . 15 1 1 A 42 42 VAL CB C 42 35.496 34.815 0.681 1
1 443 . 15 1 1 A 42 42 VAL C C 42 173.645 173.916 -0.271 1
1 444 . 15 1 1 A 43 43 LEU N N 43 127.183 123.633 3.550 1
1 445 . 15 1 1 A 43 43 LEU H H 43 8.597 8.767 -0.170 1
1 446 . 15 1 1 A 43 43 LEU CA C 43 54.209 53.510 0.699 1
1 447 . 15 1 1 A 43 43 LEU HA H 43 5.050 5.056 -0.006 1
1 448 . 15 1 1 A 43 43 LEU CB C 43 43.450 45.434 -1.984 1
1 461 . 15 1 1 A 43 43 LEU C C 43 176.151 174.608 1.543 1
1 462 . 15 1 1 A 44 44 LYS N N 44 127.086 126.040 1.046 1
1 463 . 15 1 1 A 44 44 LYS H H 44 8.726 9.148 -0.422 1
1 464 . 15 1 1 A 44 44 LYS CA C 44 55.033 54.410 0.623 1
1 465 . 15 1 1 A 44 44 LYS HA H 44 4.552 4.722 -0.170 1
1 466 . 15 1 1 A 44 44 LYS CB C 44 34.147 34.902 -0.755 1
1 478 . 15 1 1 A 44 44 LYS C C 44 175.176 176.058 -0.882 1
1 479 . 15 1 1 A 45 45 ASP N N 45 123.045 120.526 2.519 1
1 480 . 15 1 1 A 45 45 ASP H H 45 8.876 8.747 0.129 1
1 481 . 15 1 1 A 45 45 ASP CA C 45 56.515 54.913 1.602 1
1 482 . 15 1 1 A 45 45 ASP HA H 45 4.321 4.384 -0.063 1
1 483 . 15 1 1 A 45 45 ASP CB C 45 39.782 40.450 -0.668 1
1 486 . 15 1 1 A 45 45 ASP C C 45 175.339 176.501 -1.162 1
1 487 . 15 1 1 A 46 46 LYS N N 46 118.201 120.326 -2.125 1
1 488 . 15 1 1 A 46 46 LYS H H 46 8.620 9.054 -0.434 1
1 489 . 15 1 1 A 46 46 LYS CA C 46 56.158 57.330 -1.172 1
1 490 . 15 1 1 A 46 46 LYS HA H 46 4.079 3.870 0.209 1
1 491 . 15 1 1 A 46 46 LYS CB C 46 30.929 29.928 1.001 1
1 503 . 15 1 1 A 46 46 LYS C C 46 174.615 175.141 -0.526 1
1 504 . 15 1 1 A 47 47 ALA N N 47 121.283 117.581 3.702 1
1 505 . 15 1 1 A 47 47 ALA H H 47 7.611 7.047 0.564 1
1 506 . 15 1 1 A 47 47 ALA CA C 47 51.809 51.521 0.288 1
1 507 . 15 1 1 A 47 47 ALA HA H 47 5.105 4.771 0.334 1
1 508 . 15 1 1 A 47 47 ALA CB C 47 22.739 23.026 -0.287 1
1 512 . 15 1 1 A 47 47 ALA C C 47 175.508 175.156 0.352 1
1 513 . 15 1 1 A 48 48 ILE N N 48 114.639 115.040 -0.401 1
1 514 . 15 1 1 A 48 48 ILE H H 48 8.819 8.593 0.226 1
1 515 . 15 1 1 A 48 48 ILE CA C 48 59.017 59.050 -0.033 1
1 516 . 15 1 1 A 48 48 ILE HA H 48 5.230 5.147 0.083 1
1 517 . 15 1 1 A 48 48 ILE CB C 48 41.811 42.486 -0.675 1
1 530 . 15 1 1 A 48 48 ILE C C 48 172.954 174.387 -1.433 1
1 531 . 15 1 1 A 49 49 ALA N N 49 126.155 122.641 3.514 1
1 532 . 15 1 1 A 49 49 ALA H H 49 8.652 8.323 0.329 1
1 533 . 15 1 1 A 49 49 ALA CA C 49 50.095 50.910 -0.815 1
1 534 . 15 1 1 A 49 49 ALA HA H 49 4.769 5.008 -0.239 1
1 535 . 15 1 1 A 49 49 ALA CB C 49 22.651 23.061 -0.410 1
1 539 . 15 1 1 A 49 49 ALA C C 49 175.812 175.734 0.078 1
1 540 . 15 1 1 A 50 50 GLY N N 50 105.980 105.314 0.666 1
1 541 . 15 1 1 A 50 50 GLY H H 50 6.754 6.999 -0.245 1
1 542 . 15 1 1 A 50 50 GLY CA C 50 46.134 45.110 1.024 1
1 543 . 15 1 1 A 50 50 GLY HA2 H 50 3.803 3.814 -0.011 1
1 544 . 15 1 1 A 50 50 GLY HA3 H 50 4.077 3.977 0.100 1
1 545 . 15 1 1 A 50 50 GLY C C 50 172.510 172.240 0.270 1
1 546 . 15 1 1 A 51 51 THR N N 51 108.648 111.841 -3.193 1
1 547 . 15 1 1 A 51 51 THR H H 51 8.556 8.779 -0.223 1
1 548 . 15 1 1 A 51 51 THR CA C 51 59.116 60.411 -1.295 1
1 549 . 15 1 1 A 51 51 THR HA H 51 5.588 5.752 -0.164 1
1 550 . 15 1 1 A 51 51 THR CB C 51 72.737 70.669 2.068 1
1 556 . 15 1 1 A 51 51 THR C C 51 174.087 173.831 0.256 1
1 557 . 15 1 1 A 52 52 VAL N N 52 122.025 126.704 -4.679 1
1 558 . 15 1 1 A 52 52 VAL H H 52 9.746 9.691 0.055 1
1 559 . 15 1 1 A 52 52 VAL CA C 52 61.371 61.385 -0.014 1
1 560 . 15 1 1 A 52 52 VAL HA H 52 4.463 4.785 -0.322 1
1 561 . 15 1 1 A 52 52 VAL CB C 52 36.986 33.643 3.343 1
1 571 . 15 1 1 A 52 52 VAL C C 52 174.687 174.811 -0.124 1
1 572 . 15 1 1 A 53 53 LYS N N 53 125.115 127.998 -2.883 1
1 573 . 15 1 1 A 53 53 LYS H H 53 8.567 8.834 -0.267 1
1 574 . 15 1 1 A 53 53 LYS CA C 53 53.668 54.992 -1.324 1
1 575 . 15 1 1 A 53 53 LYS HA H 53 5.599 5.328 0.271 1
1 576 . 15 1 1 A 53 53 LYS CB C 53 37.855 35.180 2.675 1
1 588 . 15 1 1 A 53 53 LYS C C 53 174.697 175.399 -0.702 1
1 589 . 15 1 1 A 54 54 VAL N N 54 110.661 118.396 -7.735 1
1 590 . 15 1 1 A 54 54 VAL H H 54 8.498 8.972 -0.474 1
1 591 . 15 1 1 A 54 54 VAL CA C 54 57.682 58.573 -0.891 1
1 592 . 15 1 1 A 54 54 VAL HA H 54 4.825 4.565 0.260 1
1 593 . 15 1 1 A 54 54 VAL CB C 54 34.634 35.619 -0.985 1
1 603 . 15 1 1 A 54 54 VAL C C 54 176.105 174.386 1.719 1
1 604 . 15 1 1 A 55 55 GLN N N 55 119.414 120.068 -0.654 1
1 605 . 15 1 1 A 55 55 GLN H H 55 7.924 8.247 -0.323 1
1 606 . 15 1 1 A 55 55 GLN CA C 55 56.023 54.565 1.458 1
1 607 . 15 1 1 A 55 55 GLN HA H 55 4.456 4.763 -0.307 1
1 608 . 15 1 1 A 55 55 GLN CB C 55 30.216 30.730 -0.514 1
1 617 . 15 1 1 A 55 55 GLN C C 55 176.800 175.332 1.468 1
1 618 . 15 1 1 A 56 56 ASN N N 56 125.676 121.769 3.907 1
1 619 . 15 1 1 A 56 56 ASN H H 56 8.837 8.787 0.050 1
1 620 . 15 1 1 A 56 56 ASN CA C 56 53.190 51.824 1.366 1
1 621 . 15 1 1 A 56 56 ASN HA H 56 4.575 4.842 -0.267 1
1 622 . 15 1 1 A 56 56 ASN CB C 56 36.855 36.856 -0.001 1
1 628 . 15 1 1 A 56 56 ASN C C 56 174.747 175.866 -1.119 1
1 629 . 15 1 1 A 57 57 LEU N N 57 124.779 125.903 -1.124 1
1 630 . 15 1 1 A 57 57 LEU H H 57 7.284 8.080 -0.796 1
1 631 . 15 1 1 A 57 57 LEU CA C 57 55.224 57.531 -2.307 1
1 632 . 15 1 1 A 57 57 LEU HA H 57 4.326 4.159 0.167 1
1 633 . 15 1 1 A 57 57 LEU CB C 57 43.634 42.374 1.260 1
1 646 . 15 1 1 A 57 57 LEU C C 57 176.186 176.959 -0.773 1
1 647 . 15 1 1 A 58 58 ALA N N 58 119.342 119.919 -0.577 1
1 648 . 15 1 1 A 58 58 ALA H H 58 7.724 7.808 -0.084 1
1 649 . 15 1 1 A 58 58 ALA CA C 58 51.687 50.181 1.506 1
1 650 . 15 1 1 A 58 58 ALA HA H 58 4.343 4.637 -0.294 1
1 651 . 15 1 1 A 58 58 ALA CB C 58 21.122 20.485 0.637 1
1 655 . 15 1 1 A 58 58 ALA C C 58 175.847 178.058 -2.211 1
1 656 . 15 1 1 A 59 59 PHE N N 59 118.235 120.109 -1.874 1
1 657 . 15 1 1 A 59 59 PHE H H 59 8.231 9.071 -0.840 1
1 658 . 15 1 1 A 59 59 PHE CA C 59 60.105 61.039 -0.934 1
1 659 . 15 1 1 A 59 59 PHE HA H 59 4.428 4.266 0.162 1
1 660 . 15 1 1 A 59 59 PHE CB C 59 40.386 38.435 1.951 1
1 673 . 15 1 1 A 59 59 PHE C C 59 176.670 175.703 0.967 1
1 674 . 15 1 1 A 60 60 GLU N N 60 120.295 116.353 3.942 1
1 675 . 15 1 1 A 60 60 GLU H H 60 8.482 6.556 1.926 1
1 676 . 15 1 1 A 60 60 GLU CA C 60 57.134 54.708 2.426 1
1 677 . 15 1 1 A 60 60 GLU HA H 60 4.306 4.779 -0.473 1
1 678 . 15 1 1 A 60 60 GLU CB C 60 29.569 32.913 -3.344 1
1 684 . 15 1 1 A 60 60 GLU C C 60 175.584 175.647 -0.063 1
1 685 . 15 1 1 A 61 61 LYS N N 61 123.512 118.536 4.976 1
1 686 . 15 1 1 A 61 61 LYS H H 61 8.377 9.004 -0.627 1
1 687 . 15 1 1 A 61 61 LYS CA C 61 55.939 54.043 1.896 1
1 688 . 15 1 1 A 61 61 LYS HA H 61 5.038 5.033 0.005 1
1 689 . 15 1 1 A 61 61 LYS CB C 61 37.890 36.797 1.093 1
1 701 . 15 1 1 A 61 61 LYS C C 61 175.510 174.586 0.924 1
1 702 . 15 1 1 A 62 62 THR N N 62 117.107 112.911 4.196 1
1 703 . 15 1 1 A 62 62 THR H H 62 8.285 8.204 0.081 1
1 704 . 15 1 1 A 62 62 THR CA C 62 62.340 61.408 0.932 1
1 705 . 15 1 1 A 62 62 THR HA H 62 4.435 4.990 -0.555 1
1 706 . 15 1 1 A 62 62 THR CB C 62 71.605 71.078 0.527 1
1 712 . 15 1 1 A 62 62 THR C C 62 172.156 173.076 -0.920 1
1 713 . 15 1 1 A 63 63 VAL N N 63 128.402 127.929 0.473 1
1 714 . 15 1 1 A 63 63 VAL H H 63 8.719 8.789 -0.070 1
1 715 . 15 1 1 A 63 63 VAL CA C 63 60.707 60.665 0.042 1
1 716 . 15 1 1 A 63 63 VAL HA H 63 4.755 4.815 -0.060 1
1 717 . 15 1 1 A 63 63 VAL CB C 63 35.210 33.809 1.401 1
1 727 . 15 1 1 A 63 63 VAL C C 63 174.313 175.178 -0.865 1
1 728 . 15 1 1 A 64 64 LYS N N 64 123.629 125.383 -1.754 1
1 729 . 15 1 1 A 64 64 LYS H H 64 8.519 8.301 0.218 1
1 730 . 15 1 1 A 64 64 LYS CA C 64 54.850 55.002 -0.152 1
1 731 . 15 1 1 A 64 64 LYS HA H 64 4.997 5.176 -0.179 1
1 732 . 15 1 1 A 64 64 LYS CB C 64 37.343 36.117 1.226 1
1 744 . 15 1 1 A 64 64 LYS C C 64 173.348 175.736 -2.388 1
1 745 . 15 1 1 A 65 65 ILE N N 65 119.250 124.287 -5.037 1
1 746 . 15 1 1 A 65 65 ILE H H 65 8.637 8.478 0.159 1
1 747 . 15 1 1 A 65 65 ILE CA C 65 57.894 61.199 -3.305 1
1 748 . 15 1 1 A 65 65 ILE HA H 65 4.451 4.347 0.104 1
1 749 . 15 1 1 A 65 65 ILE CB C 65 37.638 37.480 0.158 1
1 762 . 15 1 1 A 65 65 ILE C C 65 174.893 175.430 -0.537 1
1 763 . 15 1 1 A 66 66 ARG N N 66 130.193 127.466 2.727 1
1 764 . 15 1 1 A 66 66 ARG H H 66 9.244 8.982 0.262 1
1 765 . 15 1 1 A 66 66 ARG CA C 66 55.930 54.982 0.948 1
1 766 . 15 1 1 A 66 66 ARG HA H 66 5.440 5.027 0.413 1
1 767 . 15 1 1 A 66 66 ARG CB C 66 31.514 32.040 -0.526 1
1 778 . 15 1 1 A 66 66 ARG C C 66 174.161 174.577 -0.416 1
1 779 . 15 1 1 A 67 67 MET N N 67 128.046 127.790 0.256 1
1 780 . 15 1 1 A 67 67 MET H H 67 9.343 9.382 -0.039 1
1 781 . 15 1 1 A 67 67 MET CA C 67 54.217 53.853 0.364 1
1 782 . 15 1 1 A 67 67 MET HA H 67 5.318 5.236 0.082 1
1 783 . 15 1 1 A 67 67 MET CB C 67 37.533 35.483 2.050 1
1 793 . 15 1 1 A 67 67 MET C C 67 173.432 173.968 -0.536 1
1 794 . 15 1 1 A 68 68 THR N N 68 118.404 116.511 1.893 1
1 795 . 15 1 1 A 68 68 THR H H 68 8.474 8.036 0.438 1
1 796 . 15 1 1 A 68 68 THR CA C 68 58.903 59.860 -0.957 1
1 797 . 15 1 1 A 68 68 THR HA H 68 3.948 4.660 -0.712 1
1 798 . 15 1 1 A 68 68 THR CB C 68 71.091 69.902 1.189 1
1 804 . 15 1 1 A 68 68 THR C C 68 170.783 172.289 -1.506 1
1 805 . 15 1 1 A 69 69 PHE N N 69 124.029 122.524 1.505 1
1 806 . 15 1 1 A 69 69 PHE H H 69 8.910 9.035 -0.125 1
1 807 . 15 1 1 A 69 69 PHE CA C 69 55.772 57.572 -1.800 1
1 808 . 15 1 1 A 69 69 PHE HA H 69 4.783 4.746 0.037 1
1 809 . 15 1 1 A 69 69 PHE CB C 69 39.748 40.290 -0.542 1
1 822 . 15 1 1 A 69 69 PHE C C 69 174.951 174.836 0.115 1
1 823 . 15 1 1 A 70 70 ASP N N 70 121.457 120.683 0.774 1
1 824 . 15 1 1 A 70 70 ASP H H 70 8.841 7.364 1.477 1
1 825 . 15 1 1 A 70 70 ASP CA C 70 52.288 52.301 -0.013 1
1 826 . 15 1 1 A 70 70 ASP HA H 70 4.661 4.933 -0.272 1
1 827 . 15 1 1 A 70 70 ASP CB C 70 40.026 40.861 -0.835 1
1 830 . 15 1 1 A 70 70 ASP C C 70 177.065 175.148 1.917 1
1 831 . 15 1 1 A 71 71 THR N N 71 114.661 119.886 -5.225 1
1 832 . 15 1 1 A 71 71 THR H H 71 8.724 9.008 -0.284 1
1 833 . 15 1 1 A 71 71 THR CA C 71 63.824 63.202 0.622 1
1 834 . 15 1 1 A 71 71 THR HA H 71 3.181 3.975 -0.794 1
1 835 . 15 1 1 A 71 71 THR CB C 71 66.535 67.008 -0.473 1
1 841 . 15 1 1 A 71 71 THR C C 71 173.648 174.013 -0.365 1
1 842 . 15 1 1 A 72 72 TRP N N 72 111.097 113.252 -2.155 1
1 843 . 15 1 1 A 72 72 TRP H H 72 8.854 7.994 0.860 1
1 844 . 15 1 1 A 72 72 TRP CA C 72 58.910 57.881 1.029 1
1 845 . 15 1 1 A 72 72 TRP HA H 72 3.951 4.227 -0.276 1
1 846 . 15 1 1 A 72 72 TRP CB C 72 24.332 26.439 -2.107 1
1 861 . 15 1 1 A 72 72 TRP C C 72 176.875 176.239 0.636 1
1 862 . 15 1 1 A 73 73 LYS N N 73 124.701 117.553 7.148 1
1 863 . 15 1 1 A 73 73 LYS H H 73 7.785 8.299 -0.514 1
1 864 . 15 1 1 A 73 73 LYS CA C 73 60.463 56.513 3.950 1
1 865 . 15 1 1 A 73 73 LYS HA H 73 4.174 4.548 -0.374 1
1 866 . 15 1 1 A 73 73 LYS CB C 73 31.024 35.286 -4.262 1
1 878 . 15 1 1 A 73 73 LYS C C 73 177.622 176.810 0.812 1
1 879 . 15 1 1 A 74 74 SER N N 74 117.041 113.577 3.464 1
1 880 . 15 1 1 A 74 74 SER H H 74 10.002 7.392 2.610 1
1 881 . 15 1 1 A 74 74 SER CA C 74 57.539 56.718 0.821 1
1 882 . 15 1 1 A 74 74 SER HA H 74 4.556 4.794 -0.238 1
1 883 . 15 1 1 A 74 74 SER CB C 74 66.372 62.923 3.449 1
1 886 . 15 1 1 A 74 74 SER C C 74 171.956 172.423 -0.467 1
1 887 . 15 1 1 A 75 75 TYR N N 75 113.320 123.984 -10.664 1
1 888 . 15 1 1 A 75 75 TYR H H 75 7.735 8.814 -1.079 1
1 889 . 15 1 1 A 75 75 TYR CA C 75 57.155 55.259 1.896 1
1 890 . 15 1 1 A 75 75 TYR HA H 75 5.229 5.911 -0.682 1
1 891 . 15 1 1 A 75 75 TYR CB C 75 40.745 42.139 -1.394 1
1 902 . 15 1 1 A 75 75 TYR C C 75 174.262 174.513 -0.251 1
1 903 . 15 1 1 A 76 76 THR N N 76 117.158 114.648 2.510 1
1 904 . 15 1 1 A 76 76 THR H H 76 9.212 8.456 0.756 1
1 905 . 15 1 1 A 76 76 THR CA C 76 62.104 60.459 1.645 1
1 906 . 15 1 1 A 76 76 THR HA H 76 4.318 4.843 -0.525 1
1 907 . 15 1 1 A 76 76 THR CB C 76 72.675 71.700 0.975 1
1 913 . 15 1 1 A 76 76 THR C C 76 171.344 172.184 -0.840 1
1 914 . 15 1 1 A 77 77 ASP N N 77 125.875 124.762 1.113 1
1 915 . 15 1 1 A 77 77 ASP H H 77 8.569 8.519 0.050 1
1 916 . 15 1 1 A 77 77 ASP CA C 77 52.422 52.514 -0.092 1
1 917 . 15 1 1 A 77 77 ASP HA H 77 5.865 5.121 0.744 1
1 918 . 15 1 1 A 77 77 ASP CB C 77 41.512 41.825 -0.313 1
1 921 . 15 1 1 A 77 77 ASP C C 77 175.921 174.610 1.311 1
1 922 . 15 1 1 A 78 78 PHE N N 78 125.666 124.188 1.478 1
1 923 . 15 1 1 A 78 78 PHE H H 78 9.992 8.502 1.490 1
1 924 . 15 1 1 A 78 78 PHE CA C 78 55.578 55.740 -0.162 1
1 925 . 15 1 1 A 78 78 PHE HA H 78 4.943 5.045 -0.102 1
1 926 . 15 1 1 A 78 78 PHE CB C 78 40.375 40.255 0.120 1
1 939 . 15 1 1 A 78 78 PHE C C 78 173.610 174.243 -0.633 1
1 940 . 15 1 1 A 79 79 PRO CA C 79 63.363 63.115 0.248 1
1 941 . 15 1 1 A 79 79 PRO HA H 79 4.615 4.606 0.009 1
1 942 . 15 1 1 A 79 79 PRO CB C 79 32.787 32.476 0.311 1
1 951 . 15 1 1 A 79 79 PRO C C 79 176.681 177.065 -0.384 1
1 952 . 15 1 1 A 80 80 CYS N N 80 117.289 122.579 -5.290 1
1 953 . 15 1 1 A 80 80 CYS H H 80 8.308 8.413 -0.105 1
1 954 . 15 1 1 A 80 80 CYS CA C 80 57.675 60.154 -2.479 1
1 955 . 15 1 1 A 80 80 CYS HA H 80 5.242 4.781 0.461 1
1 956 . 15 1 1 A 80 80 CYS CB C 80 30.658 29.109 1.549 1
1 959 . 15 1 1 A 80 80 CYS C C 80 174.899 175.656 -0.757 1
1 960 . 15 1 1 A 81 81 GLN N N 81 122.188 122.113 0.075 1
1 961 . 15 1 1 A 81 81 GLN H H 81 9.312 9.024 0.288 1
1 962 . 15 1 1 A 81 81 GLN CA C 81 54.620 54.959 -0.339 1
1 963 . 15 1 1 A 81 81 GLN HA H 81 4.911 4.912 -0.001 1
1 964 . 15 1 1 A 81 81 GLN CB C 81 31.213 31.314 -0.101 1
1 973 . 15 1 1 A 81 81 GLN C C 81 175.035 174.393 0.642 1
1 974 . 15 1 1 A 82 82 TYR N N 82 125.814 123.221 2.593 1
1 975 . 15 1 1 A 82 82 TYR H H 82 8.919 8.936 -0.017 1
1 976 . 15 1 1 A 82 82 TYR CA C 82 58.764 56.159 2.605 1
1 977 . 15 1 1 A 82 82 TYR HA H 82 3.403 5.143 -1.740 1
1 978 . 15 1 1 A 82 82 TYR CB C 82 38.346 40.748 -2.402 1
1 989 . 15 1 1 A 82 82 TYR C C 82 175.413 174.173 1.240 1
1 990 . 15 1 1 A 83 83 VAL N N 83 129.316 127.364 1.952 1
1 991 . 15 1 1 A 83 83 VAL H H 83 7.782 8.016 -0.234 1
1 992 . 15 1 1 A 83 83 VAL CA C 83 61.693 62.482 -0.789 1
1 993 . 15 1 1 A 83 83 VAL HA H 83 3.758 4.008 -0.250 1
1 994 . 15 1 1 A 83 83 VAL CB C 83 32.564 31.707 0.857 1
1 1004 . 15 1 1 A 83 83 VAL C C 83 173.771 174.164 -0.393 1
1 1005 . 15 1 1 A 84 84 LYS N N 84 126.665 128.366 -1.701 1
1 1006 . 15 1 1 A 84 84 LYS H H 84 8.174 8.618 -0.444 1
1 1007 . 15 1 1 A 84 84 LYS CA C 84 56.144 55.002 1.142 1
1 1008 . 15 1 1 A 84 84 LYS HA H 84 4.016 4.755 -0.739 1
1 1009 . 15 1 1 A 84 84 LYS CB C 84 32.170 33.604 -1.434 1
1 1021 . 15 1 1 A 84 84 LYS C C 84 175.610 175.063 0.547 1
1 1022 . 15 1 1 A 85 85 ASP N N 85 124.262 126.014 -1.752 1
1 1023 . 15 1 1 A 85 85 ASP H H 85 7.864 8.447 -0.583 1
1 1024 . 15 1 1 A 85 85 ASP CA C 85 53.349 53.518 -0.169 1
1 1025 . 15 1 1 A 85 85 ASP HA H 85 4.678 5.024 -0.346 1
1 1026 . 15 1 1 A 85 85 ASP CB C 85 41.683 43.999 -2.316 1
1 1029 . 15 1 1 A 85 85 ASP C C 85 176.841 175.960 0.881 1
1 1030 . 15 1 1 A 86 86 THR N N 86 113.656 118.625 -4.969 1
1 1031 . 15 1 1 A 86 86 THR H H 86 8.065 8.630 -0.565 1
1 1032 . 15 1 1 A 86 86 THR CA C 86 63.274 65.621 -2.347 1
1 1033 . 15 1 1 A 86 86 THR HA H 86 4.086 3.917 0.169 1
1 1034 . 15 1 1 A 86 86 THR CB C 86 69.257 69.150 0.107 1
1 1040 . 15 1 1 A 86 86 THR C C 86 174.589 175.731 -1.142 1
1 1041 . 15 1 1 A 87 87 TYR N N 87 120.837 117.335 3.502 1
1 1042 . 15 1 1 A 87 87 TYR H H 87 8.064 7.808 0.256 1
1 1043 . 15 1 1 A 87 87 TYR CA C 87 58.054 60.265 -2.211 1
1 1044 . 15 1 1 A 87 87 TYR HA H 87 4.527 4.299 0.228 1
1 1045 . 15 1 1 A 87 87 TYR CB C 87 38.297 39.316 -1.019 1
1 1056 . 15 1 1 A 87 87 TYR C C 87 175.590 176.621 -1.031 1
1 1057 . 15 1 1 A 88 88 ALA N N 88 125.226 120.864 4.362 1
1 1058 . 15 1 1 A 88 88 ALA H H 88 7.963 7.781 0.182 1
1 1059 . 15 1 1 A 88 88 ALA CA C 88 53.104 53.985 -0.881 1
1 1060 . 15 1 1 A 88 88 ALA HA H 88 4.389 4.011 0.378 1
1 1061 . 15 1 1 A 88 88 ALA CB C 88 19.127 18.193 0.934 1
1 1065 . 15 1 1 A 88 88 ALA C C 88 178.497 178.391 0.106 1
1 1066 . 15 1 1 A 89 89 GLY N N 89 109.029 112.562 -3.533 1
1 1067 . 15 1 1 A 89 89 GLY H H 89 8.479 8.700 -0.221 1
1 1068 . 15 1 1 A 89 89 GLY CA C 89 45.426 45.132 0.294 1
1 1069 . 15 1 1 A 89 89 GLY HA2 H 89 3.952 4.030 -0.078 1
1 1070 . 15 1 1 A 89 89 GLY HA3 H 89 4.079 4.031 0.048 1
1 1071 . 15 1 1 A 89 89 GLY C C 89 174.563 175.264 -0.701 1
1 1072 . 15 1 1 A 90 90 SER N N 90 115.638 116.251 -0.613 1
1 1073 . 15 1 1 A 90 90 SER H H 90 8.232 8.429 -0.197 1
1 1074 . 15 1 1 A 90 90 SER CA C 90 58.443 61.749 -3.306 1
1 1075 . 15 1 1 A 90 90 SER HA H 90 4.574 4.256 0.318 1
1 1076 . 15 1 1 A 90 90 SER CB C 90 63.865 62.944 0.921 1
1 1079 . 15 1 1 A 90 90 SER C C 90 174.212 175.888 -1.676 1
1 1080 . 15 1 1 A 91 91 ASP N N 91 120.185 119.001 1.184 1
1 1081 . 15 1 1 A 91 91 ASP H H 91 8.691 8.189 0.502 1
1 1082 . 15 1 1 A 91 91 ASP CA C 91 55.012 55.441 -0.429 1
1 1083 . 15 1 1 A 91 91 ASP HA H 91 4.684 4.761 -0.077 1
1 1084 . 15 1 1 A 91 91 ASP CB C 91 40.643 42.382 -1.739 1
1 1087 . 15 1 1 A 91 91 ASP C C 91 176.350 176.155 0.195 1
1 1088 . 15 1 1 A 92 92 ARG N N 92 119.690 117.068 2.622 1
1 1089 . 15 1 1 A 92 92 ARG H H 92 8.072 7.645 0.427 1
1 1090 . 15 1 1 A 92 92 ARG CA C 92 54.941 54.090 0.851 1
1 1091 . 15 1 1 A 92 92 ARG HA H 92 5.022 4.835 0.187 1
1 1092 . 15 1 1 A 92 92 ARG CB C 92 32.816 33.828 -1.012 1
1 1101 . 15 1 1 A 92 92 ARG C C 92 174.072 174.063 0.009 1
1 1102 . 15 1 1 A 93 93 ASP N N 93 119.716 119.173 0.543 1
1 1103 . 15 1 1 A 93 93 ASP H H 93 8.550 8.801 -0.251 1
1 1104 . 15 1 1 A 93 93 ASP CA C 93 53.411 52.594 0.817 1
1 1105 . 15 1 1 A 93 93 ASP HA H 93 5.108 5.461 -0.353 1
1 1106 . 15 1 1 A 93 93 ASP CB C 93 46.005 42.498 3.507 1
1 1109 . 15 1 1 A 93 93 ASP C C 93 174.776 174.719 0.057 1
1 1110 . 15 1 1 A 94 94 THR N N 94 116.481 120.053 -3.572 1
1 1111 . 15 1 1 A 94 94 THR H H 94 8.932 8.813 0.119 1
1 1112 . 15 1 1 A 94 94 THR CA C 94 62.287 61.886 0.401 1
1 1113 . 15 1 1 A 94 94 THR HA H 94 5.232 4.760 0.472 1
1 1114 . 15 1 1 A 94 94 THR CB C 94 70.008 69.407 0.601 1
1 1120 . 15 1 1 A 94 94 THR C C 94 171.982 174.009 -2.027 1
1 1121 . 15 1 1 A 95 95 PHE N N 95 124.488 127.223 -2.735 1
1 1122 . 15 1 1 A 95 95 PHE H H 95 9.347 9.308 0.039 1
1 1123 . 15 1 1 A 95 95 PHE CA C 95 55.834 57.549 -1.715 1
1 1124 . 15 1 1 A 95 95 PHE HA H 95 5.321 5.048 0.273 1
1 1125 . 15 1 1 A 95 95 PHE CB C 95 43.478 41.326 2.152 1
1 1138 . 15 1 1 A 95 95 PHE C C 95 174.780 174.841 -0.061 1
1 1139 . 15 1 1 A 96 96 SER N N 96 117.417 116.222 1.195 1
1 1140 . 15 1 1 A 96 96 SER H H 96 10.108 8.896 1.212 1
1 1141 . 15 1 1 A 96 96 SER CA C 96 56.388 56.137 0.251 1
1 1142 . 15 1 1 A 96 96 SER HA H 96 5.575 5.640 -0.065 1
1 1143 . 15 1 1 A 96 96 SER CB C 96 67.188 66.510 0.678 1
1 1146 . 15 1 1 A 96 96 SER C C 96 173.079 172.735 0.344 1
1 1147 . 15 1 1 A 97 97 PHE N N 97 114.813 118.878 -4.065 1
1 1148 . 15 1 1 A 97 97 PHE H H 97 7.991 8.533 -0.542 1
1 1149 . 15 1 1 A 97 97 PHE CA C 97 56.003 55.773 0.230 1
1 1150 . 15 1 1 A 97 97 PHE HA H 97 5.249 5.338 -0.089 1
1 1151 . 15 1 1 A 97 97 PHE CB C 97 42.008 42.293 -0.285 1
1 1164 . 15 1 1 A 97 97 PHE C C 97 174.316 172.649 1.667 1
1 1165 . 15 1 1 A 98 98 ASP N N 98 121.809 118.841 2.968 1
1 1166 . 15 1 1 A 98 98 ASP H H 98 8.297 8.979 -0.682 1
1 1167 . 15 1 1 A 98 98 ASP CA C 98 54.789 52.701 2.088 1
1 1168 . 15 1 1 A 98 98 ASP HA H 98 5.006 5.423 -0.417 1
1 1169 . 15 1 1 A 98 98 ASP CB C 98 42.282 42.469 -0.187 1
1 1172 . 15 1 1 A 98 98 ASP C C 98 174.959 174.377 0.582 1
1 1173 . 15 1 1 A 99 99 ILE N N 99 126.714 126.035 0.679 1
1 1174 . 15 1 1 A 99 99 ILE H H 99 9.331 9.052 0.279 1
1 1175 . 15 1 1 A 99 99 ILE CA C 99 60.455 60.127 0.328 1
1 1176 . 15 1 1 A 99 99 ILE HA H 99 4.016 4.514 -0.498 1
1 1177 . 15 1 1 A 99 99 ILE CB C 99 42.110 40.046 2.064 1
1 1190 . 15 1 1 A 99 99 ILE C C 99 175.019 174.739 0.280 1
1 1191 . 15 1 1 A 100 100 SER N N 100 122.590 122.968 -0.378 1
1 1192 . 15 1 1 A 100 100 SER H H 100 8.345 8.689 -0.344 1
1 1193 . 15 1 1 A 100 100 SER CA C 100 58.848 57.774 1.074 1
1 1194 . 15 1 1 A 100 100 SER HA H 100 4.527 4.998 -0.471 1
1 1195 . 15 1 1 A 100 100 SER CB C 100 63.482 63.941 -0.459 1
1 1198 . 15 1 1 A 100 100 SER C C 100 173.557 174.295 -0.738 1
1 1199 . 15 1 1 A 101 101 LEU N N 101 124.776 127.232 -2.456 1
1 1200 . 15 1 1 A 101 101 LEU H H 101 8.277 8.711 -0.434 1
1 1201 . 15 1 1 A 101 101 LEU CA C 101 52.430 53.580 -1.150 1
1 1202 . 15 1 1 A 101 101 LEU HA H 101 4.375 4.579 -0.204 1
1 1203 . 15 1 1 A 101 101 LEU CB C 101 40.427 40.922 -0.495 1
1 1216 . 15 1 1 A 101 101 LEU C C 101 174.363 174.558 -0.195 1
1 1217 . 15 1 1 A 102 102 PRO CA C 102 62.488 62.222 0.266 1
1 1218 . 15 1 1 A 102 102 PRO HA H 102 4.259 4.380 -0.121 1
1 1219 . 15 1 1 A 102 102 PRO CB C 102 32.073 32.461 -0.388 1
1 1228 . 15 1 1 A 102 102 PRO C C 102 175.687 177.786 -2.099 1
1 1229 . 15 1 1 A 103 103 GLU N N 103 118.843 120.968 -2.125 1
1 1230 . 15 1 1 A 103 103 GLU H H 103 8.286 8.550 -0.264 1
1 1231 . 15 1 1 A 103 103 GLU CA C 103 58.131 58.838 -0.707 1
1 1232 . 15 1 1 A 103 103 GLU HA H 103 4.013 4.105 -0.092 1
1 1233 . 15 1 1 A 103 103 GLU CB C 103 30.344 29.276 1.068 1
1 1239 . 15 1 1 A 103 103 GLU C C 103 176.869 176.282 0.587 1
1 1240 . 15 1 1 A 104 104 LYS N N 104 116.544 115.767 0.777 1
1 1241 . 15 1 1 A 104 104 LYS H H 104 7.869 7.536 0.333 1
1 1242 . 15 1 1 A 104 104 LYS CA C 104 55.314 55.358 -0.044 1
1 1243 . 15 1 1 A 104 104 LYS HA H 104 4.474 4.749 -0.275 1
1 1244 . 15 1 1 A 104 104 LYS CB C 104 33.428 34.475 -1.047 1
1 1256 . 15 1 1 A 104 104 LYS C C 104 175.231 173.819 1.412 1
1 1257 . 15 1 1 A 105 105 ILE N N 105 122.507 119.983 2.524 1
1 1258 . 15 1 1 A 105 105 ILE H H 105 8.236 8.633 -0.397 1
1 1259 . 15 1 1 A 105 105 ILE CA C 105 60.636 60.836 -0.200 1
1 1260 . 15 1 1 A 105 105 ILE HA H 105 4.190 4.937 -0.747 1
1 1261 . 15 1 1 A 105 105 ILE CB C 105 39.685 41.215 -1.530 1
1 1274 . 15 1 1 A 105 105 ILE C C 105 176.091 175.450 0.641 1
1 1275 . 15 1 1 A 106 106 GLN N N 106 124.467 127.945 -3.478 1
1 1276 . 15 1 1 A 106 106 GLN H H 106 8.752 9.187 -0.435 1
1 1277 . 15 1 1 A 106 106 GLN CA C 106 56.244 55.629 0.615 1
1 1278 . 15 1 1 A 106 106 GLN HA H 106 4.243 4.652 -0.409 1
1 1279 . 15 1 1 A 106 106 GLN CB C 106 28.717 28.580 0.137 1
1 1288 . 15 1 1 A 106 106 GLN C C 106 177.593 175.297 2.296 1
1 1289 . 15 1 1 A 107 107 SER N N 107 116.963 113.536 3.427 1
1 1290 . 15 1 1 A 107 107 SER H H 107 8.623 8.155 0.468 1
1 1291 . 15 1 1 A 107 107 SER CA C 107 60.530 59.036 1.494 1
1 1292 . 15 1 1 A 107 107 SER HA H 107 4.152 4.154 -0.002 1
1 1293 . 15 1 1 A 107 107 SER CB C 107 63.187 61.633 1.554 1
1 1296 . 15 1 1 A 107 107 SER C C 107 174.222 174.868 -0.646 1
1 1297 . 15 1 1 A 108 108 TYR N N 108 116.323 119.438 -3.115 1
1 1298 . 15 1 1 A 108 108 TYR H H 108 7.330 8.398 -1.068 1
1 1299 . 15 1 1 A 108 108 TYR CA C 108 56.727 57.466 -0.739 1
1 1300 . 15 1 1 A 108 108 TYR HA H 108 4.655 4.576 0.079 1
1 1301 . 15 1 1 A 108 108 TYR CB C 108 37.491 39.480 -1.989 1
1 1312 . 15 1 1 A 108 108 TYR C C 108 175.768 174.730 1.038 1
1 1313 . 15 1 1 A 109 109 GLU N N 109 120.523 118.712 1.811 1
1 1314 . 15 1 1 A 109 109 GLU H H 109 7.587 7.293 0.294 1
1 1315 . 15 1 1 A 109 109 GLU CA C 109 55.573 54.542 1.031 1
1 1316 . 15 1 1 A 109 109 GLU HA H 109 4.582 4.751 -0.169 1
1 1317 . 15 1 1 A 109 109 GLU CB C 109 31.360 33.992 -2.632 1
1 1323 . 15 1 1 A 109 109 GLU C C 109 176.013 173.644 2.369 1
1 1324 . 15 1 1 A 110 110 ARG N N 110 118.559 122.914 -4.355 1
1 1325 . 15 1 1 A 110 110 ARG H H 110 8.441 8.546 -0.105 1
1 1326 . 15 1 1 A 110 110 ARG CA C 110 55.667 55.072 0.595 1
1 1327 . 15 1 1 A 110 110 ARG HA H 110 4.786 4.965 -0.179 1
1 1328 . 15 1 1 A 110 110 ARG CB C 110 32.404 31.995 0.409 1
1 1339 . 15 1 1 A 110 110 ARG C C 110 174.387 174.295 0.092 1
1 1340 . 15 1 1 A 111 111 MET N N 111 122.471 123.781 -1.310 1
1 1341 . 15 1 1 A 111 111 MET H H 111 8.665 8.886 -0.221 1
1 1342 . 15 1 1 A 111 111 MET CA C 111 54.151 54.261 -0.110 1
1 1343 . 15 1 1 A 111 111 MET HA H 111 5.167 4.951 0.216 1
1 1344 . 15 1 1 A 111 111 MET CB C 111 35.735 35.357 0.378 1
1 1354 . 15 1 1 A 111 111 MET C C 111 174.924 174.400 0.524 1
1 1355 . 15 1 1 A 112 112 GLU N N 112 119.500 124.804 -5.304 1
1 1356 . 15 1 1 A 112 112 GLU H H 112 7.951 8.024 -0.073 1
1 1357 . 15 1 1 A 112 112 GLU CA C 112 53.909 54.730 -0.821 1
1 1358 . 15 1 1 A 112 112 GLU HA H 112 5.662 5.216 0.446 1
1 1359 . 15 1 1 A 112 112 GLU CB C 112 35.198 34.640 0.558 1
1 1365 . 15 1 1 A 112 112 GLU C C 112 174.483 174.740 -0.257 1
1 1366 . 15 1 1 A 113 113 PHE N N 113 115.033 117.502 -2.469 1
1 1367 . 15 1 1 A 113 113 PHE H H 113 9.278 8.876 0.402 1
1 1368 . 15 1 1 A 113 113 PHE CA C 113 55.857 56.433 -0.576 1
1 1369 . 15 1 1 A 113 113 PHE HA H 113 6.262 5.585 0.677 1
1 1370 . 15 1 1 A 113 113 PHE CB C 113 43.656 42.228 1.428 1
1 1383 . 15 1 1 A 113 113 PHE C C 113 172.253 172.620 -0.367 1
1 1384 . 15 1 1 A 114 114 ALA N N 114 121.461 123.228 -1.767 1
1 1385 . 15 1 1 A 114 114 ALA H H 114 9.475 9.235 0.240 1
1 1386 . 15 1 1 A 114 114 ALA CA C 114 50.860 50.538 0.322 1
1 1387 . 15 1 1 A 114 114 ALA HA H 114 5.026 5.406 -0.380 1
1 1388 . 15 1 1 A 114 114 ALA CB C 114 23.129 22.375 0.754 1
1 1392 . 15 1 1 A 114 114 ALA C C 114 174.903 176.318 -1.415 1
1 1393 . 15 1 1 A 115 115 VAL N N 115 120.899 122.445 -1.546 1
1 1394 . 15 1 1 A 115 115 VAL H H 115 8.928 8.649 0.279 1
1 1395 . 15 1 1 A 115 115 VAL CA C 115 61.379 62.919 -1.540 1
1 1396 . 15 1 1 A 115 115 VAL HA H 115 4.798 4.367 0.431 1
1 1397 . 15 1 1 A 115 115 VAL CB C 115 34.712 31.787 2.925 1
1 1407 . 15 1 1 A 115 115 VAL C C 115 174.444 174.450 -0.006 1
1 1408 . 15 1 1 A 116 116 TYR N N 116 123.426 128.292 -4.866 1
1 1409 . 15 1 1 A 116 116 TYR H H 116 8.963 8.440 0.523 1
1 1410 . 15 1 1 A 116 116 TYR CA C 116 55.480 54.881 0.599 1
1 1411 . 15 1 1 A 116 116 TYR HA H 116 5.081 4.681 0.400 1
1 1412 . 15 1 1 A 116 116 TYR CB C 116 38.928 39.725 -0.797 1
1 1423 . 15 1 1 A 116 116 TYR C C 116 172.208 173.366 -1.158 1
1 1424 . 15 1 1 A 117 117 TYR N N 117 123.249 129.761 -6.512 1
1 1425 . 15 1 1 A 117 117 TYR H H 117 8.858 8.646 0.212 1
1 1426 . 15 1 1 A 117 117 TYR CA C 117 52.371 56.449 -4.078 1
1 1427 . 15 1 1 A 117 117 TYR HA H 117 5.528 4.636 0.892 1
1 1428 . 15 1 1 A 117 117 TYR CB C 117 41.509 40.191 1.318 1
1 1439 . 15 1 1 A 117 117 TYR C C 117 173.159 173.415 -0.256 1
1 1440 . 15 1 1 A 118 118 GLU N N 118 127.681 127.404 0.277 1
1 1441 . 15 1 1 A 118 118 GLU H H 118 9.368 8.511 0.857 1
1 1442 . 15 1 1 A 118 118 GLU CA C 118 54.179 55.136 -0.957 1
1 1443 . 15 1 1 A 118 118 GLU HA H 118 5.085 4.694 0.391 1
1 1444 . 15 1 1 A 118 118 GLU CB C 118 32.099 31.138 0.961 1
1 1450 . 15 1 1 A 118 118 GLU C C 118 175.565 174.567 0.998 1
1 1451 . 15 1 1 A 119 119 CYS N N 119 122.152 122.638 -0.486 1
1 1452 . 15 1 1 A 119 119 CYS H H 119 8.323 7.829 0.494 1
1 1453 . 15 1 1 A 119 119 CYS CA C 119 58.248 57.793 0.455 1
1 1454 . 15 1 1 A 119 119 CYS HA H 119 4.479 4.418 0.061 1
1 1455 . 15 1 1 A 119 119 CYS CB C 119 29.065 30.163 -1.098 1
1 1458 . 15 1 1 A 119 119 CYS C C 119 174.586 173.057 1.529 1
1 1459 . 15 1 1 A 120 120 ASN N N 120 126.917 118.627 8.290 1
1 1460 . 15 1 1 A 120 120 ASN H H 120 9.858 9.127 0.731 1
1 1461 . 15 1 1 A 120 120 ASN CA C 120 53.735 54.404 -0.669 1
1 1462 . 15 1 1 A 120 120 ASN HA H 120 4.342 4.356 -0.014 1
1 1463 . 15 1 1 A 120 120 ASN CB C 120 37.873 37.362 0.511 1
1 1469 . 15 1 1 A 120 120 ASN C C 120 174.943 175.388 -0.445 1
1 1470 . 15 1 1 A 121 121 GLY N N 121 104.866 103.720 1.146 1
1 1471 . 15 1 1 A 121 121 GLY H H 121 8.776 8.543 0.233 1
1 1472 . 15 1 1 A 121 121 GLY CA C 121 45.586 46.433 -0.847 1
1 1473 . 15 1 1 A 121 121 GLY HA2 H 121 4.041 3.834 0.207 1
1 1474 . 15 1 1 A 121 121 GLY HA3 H 121 3.553 3.850 -0.297 1
1 1475 . 15 1 1 A 121 121 GLY C C 121 173.804 173.699 0.105 1
1 1476 . 15 1 1 A 122 122 GLN N N 122 119.988 118.456 1.532 1
1 1477 . 15 1 1 A 122 122 GLN H H 122 7.677 7.657 0.020 1
1 1478 . 15 1 1 A 122 122 GLN CA C 122 53.624 53.547 0.077 1
1 1479 . 15 1 1 A 122 122 GLN HA H 122 4.395 4.760 -0.365 1
1 1480 . 15 1 1 A 122 122 GLN CB C 122 31.456 32.476 -1.020 1
1 1489 . 15 1 1 A 122 122 GLN C C 122 174.029 174.245 -0.216 1
1 1490 . 15 1 1 A 123 123 THR N N 123 116.337 115.812 0.525 1
1 1491 . 15 1 1 A 123 123 THR H H 123 7.990 8.306 -0.316 1
1 1492 . 15 1 1 A 123 123 THR CA C 123 61.935 61.203 0.732 1
1 1493 . 15 1 1 A 123 123 THR HA H 123 4.620 4.676 -0.056 1
1 1494 . 15 1 1 A 123 123 THR CB C 123 70.005 71.091 -1.086 1
1 1500 . 15 1 1 A 123 123 THR C C 123 172.596 172.524 0.072 1
1 1501 . 15 1 1 A 124 124 TYR N N 124 128.915 124.834 4.081 1
1 1502 . 15 1 1 A 124 124 TYR H H 124 9.416 8.865 0.551 1
1 1503 . 15 1 1 A 124 124 TYR CA C 124 56.388 56.304 0.084 1
1 1504 . 15 1 1 A 124 124 TYR HA H 124 4.962 5.330 -0.368 1
1 1505 . 15 1 1 A 124 124 TYR CB C 124 40.688 41.183 -0.495 1
1 1516 . 15 1 1 A 124 124 TYR C C 124 174.284 174.514 -0.230 1
1 1517 . 15 1 1 A 125 125 TRP N N 125 119.850 123.585 -3.735 1
1 1518 . 15 1 1 A 125 125 TRP H H 125 8.738 9.145 -0.407 1
1 1519 . 15 1 1 A 125 125 TRP CA C 125 56.940 55.469 1.471 1
1 1520 . 15 1 1 A 125 125 TRP HA H 125 5.388 5.666 -0.278 1
1 1521 . 15 1 1 A 125 125 TRP CB C 125 33.031 32.074 0.957 1
1 1536 . 15 1 1 A 125 125 TRP C C 125 176.973 174.658 2.315 1
1 1537 . 15 1 1 A 126 126 ASP N N 126 118.759 126.349 -7.590 1
1 1538 . 15 1 1 A 126 126 ASP H H 126 9.436 8.975 0.461 1
1 1539 . 15 1 1 A 126 126 ASP CA C 126 53.968 52.788 1.180 1
1 1540 . 15 1 1 A 126 126 ASP HA H 126 5.213 5.321 -0.108 1
1 1541 . 15 1 1 A 126 126 ASP CB C 126 42.641 42.111 0.530 1
1 1544 . 15 1 1 A 126 126 ASP C C 126 176.043 174.597 1.446 1
1 1545 . 15 1 1 A 127 127 SER N N 127 119.074 119.799 -0.725 1
1 1546 . 15 1 1 A 127 127 SER H H 127 8.520 8.545 -0.025 1
1 1547 . 15 1 1 A 127 127 SER CA C 127 55.118 56.508 -1.390 1
1 1548 . 15 1 1 A 127 127 SER HA H 127 4.811 5.072 -0.261 1
1 1549 . 15 1 1 A 127 127 SER CB C 127 63.866 65.048 -1.182 1
1 1552 . 15 1 1 A 127 127 SER C C 127 175.840 173.075 2.765 1
1 1553 . 15 1 1 A 128 128 ASN N N 128 124.865 119.228 5.637 1
1 1554 . 15 1 1 A 128 128 ASN H H 128 9.242 8.128 1.114 1
1 1555 . 15 1 1 A 128 128 ASN CA C 128 53.224 54.029 -0.805 1
1 1556 . 15 1 1 A 128 128 ASN HA H 128 4.071 3.816 0.255 1
1 1557 . 15 1 1 A 128 128 ASN CB C 128 34.281 36.315 -2.034 1
1 1563 . 15 1 1 A 128 128 ASN C C 128 176.607 174.316 2.291 1
1 1564 . 15 1 1 A 129 129 ARG N N 129 114.718 110.675 4.043 1
1 1565 . 15 1 1 A 129 129 ARG H H 129 9.475 8.270 1.205 1
1 1566 . 15 1 1 A 129 129 ARG CA C 129 56.798 57.087 -0.289 1
1 1567 . 15 1 1 A 129 129 ARG HA H 129 3.774 3.861 -0.087 1
1 1568 . 15 1 1 A 129 129 ARG CB C 129 27.145 27.796 -0.651 1
1 1579 . 15 1 1 A 129 129 ARG C C 129 176.132 175.760 0.372 1
1 1580 . 15 1 1 A 130 130 GLY N N 130 106.337 105.931 0.406 1
1 1581 . 15 1 1 A 130 130 GLY H H 130 7.568 7.711 -0.143 1
1 1582 . 15 1 1 A 130 130 GLY CA C 130 44.896 46.134 -1.238 1
1 1583 . 15 1 1 A 130 130 GLY HA2 H 130 4.103 4.012 0.091 1
1 1584 . 15 1 1 A 130 130 GLY HA3 H 130 3.425 4.025 -0.600 1
1 1585 . 15 1 1 A 130 130 GLY C C 130 174.521 173.971 0.550 1
1 1586 . 15 1 1 A 131 131 LYS N N 131 119.902 123.900 -3.998 1
1 1587 . 15 1 1 A 131 131 LYS H H 131 7.278 8.123 -0.845 1
1 1588 . 15 1 1 A 131 131 LYS CA C 131 57.336 58.074 -0.738 1
1 1589 . 15 1 1 A 131 131 LYS HA H 131 4.132 4.220 -0.088 1
1 1590 . 15 1 1 A 131 131 LYS CB C 131 33.719 32.648 1.071 1
1 1602 . 15 1 1 A 131 131 LYS C C 131 177.813 176.577 1.236 1
1 1603 . 15 1 1 A 132 132 ASN N N 132 107.489 111.985 -4.496 1
1 1604 . 15 1 1 A 132 132 ASN H H 132 8.268 7.773 0.495 1
1 1605 . 15 1 1 A 132 132 ASN CA C 132 54.717 52.176 2.541 1
1 1606 . 15 1 1 A 132 132 ASN HA H 132 3.691 4.843 -1.152 1
1 1607 . 15 1 1 A 132 132 ASN CB C 132 39.462 40.897 -1.435 1
1 1613 . 15 1 1 A 132 132 ASN C C 132 172.611 173.299 -0.688 1
1 1614 . 15 1 1 A 133 133 TYR N N 133 120.541 120.741 -0.200 1
1 1615 . 15 1 1 A 133 133 TYR H H 133 8.696 8.401 0.295 1
1 1616 . 15 1 1 A 133 133 TYR CA C 133 58.334 58.225 0.109 1
1 1617 . 15 1 1 A 133 133 TYR HA H 133 3.879 4.309 -0.430 1
1 1618 . 15 1 1 A 133 133 TYR CB C 133 35.955 37.101 -1.146 1
1 1627 . 15 1 1 A 133 133 TYR C C 133 175.026 175.132 -0.106 1
1 1628 . 15 1 1 A 134 134 ARG N N 134 123.205 126.229 -3.024 1
1 1629 . 15 1 1 A 134 134 ARG H H 134 8.584 8.568 0.016 1
1 1630 . 15 1 1 A 134 134 ARG CA C 134 56.025 56.175 -0.150 1
1 1631 . 15 1 1 A 134 134 ARG HA H 134 5.043 4.723 0.320 1
1 1632 . 15 1 1 A 134 134 ARG CB C 134 32.734 30.823 1.911 1
1 1643 . 15 1 1 A 134 134 ARG C C 134 174.511 175.410 -0.899 1
1 1644 . 15 1 1 A 135 135 ILE N N 135 124.430 129.171 -4.741 1
1 1645 . 15 1 1 A 135 135 ILE H H 135 8.429 8.659 -0.230 1
1 1646 . 15 1 1 A 135 135 ILE CA C 135 61.078 60.067 1.011 1
1 1647 . 15 1 1 A 135 135 ILE HA H 135 4.797 4.842 -0.045 1
1 1648 . 15 1 1 A 135 135 ILE CB C 135 39.875 38.650 1.225 1
1 1661 . 15 1 1 A 135 135 ILE C C 135 175.279 176.190 -0.911 1
1 1662 . 15 1 1 A 136 136 ILE N N 136 120.496 123.996 -3.500 1
1 1663 . 15 1 1 A 136 136 ILE H H 136 9.000 8.793 0.207 1
1 1664 . 15 1 1 A 136 136 ILE CA C 136 59.359 59.361 -0.002 1
1 1665 . 15 1 1 A 136 136 ILE HA H 136 5.028 4.793 0.235 1
1 1666 . 15 1 1 A 136 136 ILE CB C 136 42.170 40.173 1.997 1
1 1679 . 15 1 1 A 136 136 ILE C C 136 175.144 175.827 -0.683 1
1 1680 . 15 1 1 A 137 137 ARG N N 137 122.183 123.645 -1.462 1
1 1681 . 15 1 1 A 137 137 ARG H H 137 8.535 8.480 0.055 1
1 1682 . 15 1 1 A 137 137 ARG CA C 137 56.339 55.545 0.794 1
1 1683 . 15 1 1 A 137 137 ARG HA H 137 4.402 4.579 -0.177 1
1 1684 . 15 1 1 A 137 137 ARG CB C 137 30.696 32.003 -1.307 1
1 1695 . 15 1 1 A 137 137 ARG C C 137 176.646 177.594 -0.948 1
1 1696 . 15 1 1 A 138 138 ALA N N 138 126.694 126.922 -0.228 1
1 1697 . 15 1 1 A 138 138 ALA H H 138 8.353 8.662 -0.309 1
1 1698 . 15 1 1 A 138 138 ALA CA C 138 52.808 54.938 -2.130 1
1 1699 . 15 1 1 A 138 138 ALA HA H 138 4.134 3.956 0.178 1
1 1700 . 15 1 1 A 138 138 ALA CB C 138 19.536 18.033 1.503 1
1 1704 . 15 1 1 A 138 138 ALA C C 138 177.637 180.015 -2.378 1
1 1705 . 15 1 1 A 139 139 GLU N N 139 119.890 116.460 3.430 1
1 1706 . 15 1 1 A 139 139 GLU H H 139 8.615 8.217 0.398 1
1 1707 . 15 1 1 A 139 139 GLU CA C 139 56.586 59.115 -2.529 1
1 1708 . 15 1 1 A 139 139 GLU HA H 139 4.268 4.076 0.192 1
1 1709 . 15 1 1 A 139 139 GLU CB C 139 30.137 28.690 1.447 1
1 1715 . 15 1 1 A 139 139 GLU C C 139 176.488 178.852 -2.364 1
1 1716 . 15 1 1 A 140 140 LEU N N 140 123.350 120.409 2.941 1
1 1717 . 15 1 1 A 140 140 LEU H H 140 8.224 7.940 0.284 1
1 1718 . 15 1 1 A 140 140 LEU CA C 140 55.185 57.807 -2.622 1
1 1719 . 15 1 1 A 140 140 LEU HA H 140 4.339 3.958 0.381 1
1 1720 . 15 1 1 A 140 140 LEU CB C 140 42.294 41.497 0.797 1
1 1733 . 15 1 1 A 140 140 LEU C C 140 177.456 177.891 -0.435 1
1 1734 . 15 1 1 A 141 141 LYS N N 141 122.155 119.736 2.419 1
1 1735 . 15 1 1 A 141 141 LYS H H 141 8.239 7.318 0.921 1
1 1736 . 15 1 1 A 141 141 LYS CA C 141 56.480 57.480 -1.000 1
1 1737 . 15 1 1 A 141 141 LYS HA H 141 4.309 4.170 0.139 1
1 1738 . 15 1 1 A 141 141 LYS CB C 141 32.976 32.894 0.082 1
1 1750 . 15 1 1 A 141 141 LYS C C 141 176.734 175.402 1.332 1
1 1751 . 15 1 1 A 142 142 SER N N 142 116.816 122.139 -5.323 1
1 1752 . 15 1 1 A 142 142 SER H H 142 8.369 8.880 -0.511 1
1 1753 . 15 1 1 A 142 142 SER CA C 142 58.425 56.434 1.991 1
1 1754 . 15 1 1 A 142 142 SER HA H 142 4.529 5.215 -0.686 1
1 1755 . 15 1 1 A 142 142 SER CB C 142 63.836 65.313 -1.477 1
1 1758 . 15 1 1 A 142 142 SER C C 142 175.185 173.129 2.056 1
1 1759 . 15 1 1 A 143 143 THR N N 143 115.566 115.496 0.070 1
1 1760 . 15 1 1 A 143 143 THR H H 143 8.235 8.645 -0.410 1
1 1761 . 15 1 1 A 143 143 THR CA C 143 61.999 60.567 1.432 1
1 1762 . 15 1 1 A 143 143 THR HA H 143 4.389 5.045 -0.656 1
1 1763 . 15 1 1 A 143 143 THR CB C 143 69.634 70.452 -0.818 1
1 1769 . 15 1 1 A 143 143 THR C C 143 174.937 174.897 0.040 1
1 1770 . 15 1 1 A 144 144 GLN N N 144 122.469 125.358 -2.889 1
1 1771 . 15 1 1 A 144 144 GLN H H 144 8.345 8.887 -0.542 1
1 1772 . 15 1 1 A 144 144 GLN CA C 144 56.480 58.028 -1.548 1
1 1773 . 15 1 1 A 144 144 GLN HA H 144 4.307 4.111 0.196 1
1 1774 . 15 1 1 A 144 144 GLN CB C 144 29.307 28.966 0.341 1
1 1783 . 15 1 1 A 144 144 GLN C C 144 176.536 176.967 -0.431 1
1 1784 . 15 1 1 A 145 145 GLY N N 145 110.021 106.341 3.680 1
1 1785 . 15 1 1 A 145 145 GLY H H 145 8.461 7.795 0.666 1
1 1786 . 15 1 1 A 145 145 GLY CA C 145 45.355 44.849 0.506 1
1 1787 . 15 1 1 A 145 145 GLY HA2 H 145 3.967 3.968 -0.001 1
1 1788 . 15 1 1 A 145 145 GLY HA3 H 145 3.967 3.970 -0.003 1
1 1789 . 15 1 1 A 145 145 GLY C C 145 174.123 172.917 1.206 1
1 1790 . 15 1 1 A 146 146 MET N N 146 119.836 118.505 1.331 1
1 1791 . 15 1 1 A 146 146 MET H H 146 8.197 8.502 -0.305 1
1 1792 . 15 1 1 A 146 146 MET CA C 146 55.594 54.333 1.261 1
1 1793 . 15 1 1 A 146 146 MET HA H 146 4.538 5.458 -0.920 1
1 1794 . 15 1 1 A 146 146 MET CB C 146 33.090 37.516 -4.426 1
1 1804 . 15 1 1 A 146 146 MET C C 146 176.454 174.379 2.075 1
1 1805 . 15 1 1 A 147 147 THR N N 147 116.248 115.133 1.115 1
1 1806 . 15 1 1 A 147 147 THR H H 147 8.239 8.832 -0.593 1
1 1807 . 15 1 1 A 147 147 THR CA C 147 61.959 60.046 1.913 1
1 1808 . 15 1 1 A 147 147 THR HA H 147 4.318 5.154 -0.836 1
1 1809 . 15 1 1 A 147 147 THR CB C 147 69.875 72.134 -2.259 1
1 1815 . 15 1 1 A 147 147 THR C C 147 174.141 172.562 1.579 1
1 1816 . 15 1 1 A 148 148 LYS N N 148 125.399 124.361 1.038 1
1 1817 . 15 1 1 A 148 148 LYS H H 148 8.387 8.815 -0.428 1
1 1818 . 15 1 1 A 148 148 LYS CA C 148 54.186 54.589 -0.403 1
1 1819 . 15 1 1 A 148 148 LYS HA H 148 4.617 4.927 -0.310 1
1 1820 . 15 1 1 A 148 148 LYS CB C 148 32.651 35.411 -2.760 1
1 1832 . 15 1 1 A 148 148 LYS C C 148 174.388 173.253 1.135 1
1 1833 . 15 1 1 A 149 149 PRO CA C 149 63.178 62.965 0.213 1
1 1834 . 15 1 1 A 149 149 PRO HA H 149 4.406 4.893 -0.487 1
1 1835 . 15 1 1 A 149 149 PRO CB C 149 32.164 31.502 0.662 1
1 1844 . 15 1 1 A 150 150 HIS CA C 150 56.264 56.186 0.078 1
1 1845 . 15 1 1 A 150 150 HIS HA H 150 4.626 4.415 0.211 1
1 1846 . 15 1 1 A 150 150 HIS CB C 150 30.574 29.785 0.789 1
1 1852 . 15 1 1 A 151 151 SER CA C 151 58.018 57.507 0.511 1
1 1853 . 15 1 1 A 151 151 SER HA H 151 4.475 4.769 -0.294 1
1 1854 . 15 1 1 A 151 151 SER CB C 151 64.139 65.992 -1.853 1
1 1856 . 15 1 1 A 151 151 SER C C 151 174.253 173.077 1.176 1
1 1857 . 15 1 1 A 152 152 GLY N N 152 110.964 107.378 3.586 1
1 1858 . 15 1 1 A 152 152 GLY H H 152 8.276 8.411 -0.135 1
1 1859 . 15 1 1 A 152 152 GLY CA C 152 44.637 45.515 -0.878 1
1 1860 . 15 1 1 A 152 152 GLY HA2 H 152 4.120 4.216 -0.096 1
1 1861 . 15 1 1 A 152 152 GLY HA3 H 152 4.120 4.219 -0.099 1
1 1862 . 15 1 1 A 152 152 GLY C C 152 171.668 172.162 -0.494 1
1 1863 . 15 1 1 A 153 153 PRO CA C 153 63.147 62.762 0.385 1
1 1864 . 15 1 1 A 153 153 PRO HA H 153 4.425 4.556 -0.131 1
1 1865 . 15 1 1 A 153 153 PRO CB C 153 32.149 32.487 -0.338 1
1 1874 . 15 1 1 A 153 153 PRO C C 153 176.656 176.653 0.003 1
1 1875 . 15 1 1 A 154 154 ASP N N 154 120.420 120.248 0.172 1
1 1876 . 15 1 1 A 154 154 ASP H H 154 8.463 8.456 0.007 1
1 1877 . 15 1 1 A 154 154 ASP CA C 154 54.429 54.039 0.390 1
1 1878 . 15 1 1 A 154 154 ASP HA H 154 4.575 4.626 -0.051 1
1 1879 . 15 1 1 A 154 154 ASP CB C 154 40.979 40.957 0.022 1
1 1882 . 15 1 1 A 154 154 ASP C C 154 176.163 176.082 0.081 1
1 1883 . 15 1 1 A 155 155 LEU N N 155 123.563 119.285 4.278 1
1 1884 . 15 1 1 A 155 155 LEU H H 155 8.266 8.436 -0.170 1
1 1885 . 15 1 1 A 155 155 LEU CA C 155 55.022 53.199 1.823 1
1 1886 . 15 1 1 A 155 155 LEU HA H 155 4.358 4.718 -0.360 1
1 1887 . 15 1 1 A 155 155 LEU CB C 155 42.157 43.650 -1.493 1
1 1900 . 15 1 1 A 155 155 LEU C C 155 176.990 177.551 -0.561 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.655 57.581 1.074 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.501 4.809 -0.308 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.644 64.915 -1.271 1
1 6 . 16 1 1 A 6 6 SER C C 6 175.063 174.855 0.208 1
1 7 . 16 1 1 A 7 7 GLY N N 7 111.113 110.782 0.331 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.473 8.469 0.004 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.373 44.307 1.066 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 3.967 4.082 -0.115 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 3.967 4.083 -0.116 1
1 12 . 16 1 1 A 7 7 GLY C C 7 173.934 172.960 0.974 1
1 13 . 16 1 1 A 8 8 ALA N N 8 123.788 122.745 1.043 1
1 14 . 16 1 1 A 8 8 ALA H H 8 8.197 8.189 0.008 1
1 15 . 16 1 1 A 8 8 ALA CA C 8 52.548 51.099 1.449 1
1 16 . 16 1 1 A 8 8 ALA HA H 8 4.342 4.646 -0.304 1
1 17 . 16 1 1 A 8 8 ALA CB C 8 19.403 19.343 0.060 1
1 21 . 16 1 1 A 8 8 ALA C C 8 177.902 176.272 1.630 1
1 22 . 16 1 1 A 9 9 GLU N N 9 120.004 123.905 -3.901 1
1 23 . 16 1 1 A 9 9 GLU H H 9 8.524 8.830 -0.306 1
1 24 . 16 1 1 A 9 9 GLU CA C 9 56.763 55.210 1.553 1
1 25 . 16 1 1 A 9 9 GLU HA H 9 4.308 4.605 -0.297 1
1 26 . 16 1 1 A 9 9 GLU CB C 9 30.161 28.427 1.734 1
1 32 . 16 1 1 A 9 9 GLU C C 9 176.646 176.037 0.609 1
1 33 . 16 1 1 A 10 10 SER N N 10 116.268 119.994 -3.726 1
1 34 . 16 1 1 A 10 10 SER H H 10 8.305 8.214 0.091 1
1 35 . 16 1 1 A 10 10 SER CA C 10 58.426 58.874 -0.448 1
1 36 . 16 1 1 A 10 10 SER HA H 10 4.429 4.529 -0.100 1
1 37 . 16 1 1 A 10 10 SER CB C 10 63.933 63.406 0.527 1
1 40 . 16 1 1 A 10 10 SER C C 10 174.267 174.497 -0.230 1
1 41 . 16 1 1 A 11 11 GLU N N 11 122.435 124.126 -1.691 1
1 42 . 16 1 1 A 11 11 GLU H H 11 8.368 8.835 -0.467 1
1 43 . 16 1 1 A 11 11 GLU CA C 11 56.233 54.266 1.967 1
1 44 . 16 1 1 A 11 11 GLU HA H 11 4.367 4.750 -0.383 1
1 45 . 16 1 1 A 11 11 GLU CB C 11 30.692 33.405 -2.713 1
1 51 . 16 1 1 A 11 11 GLU C C 11 175.800 175.705 0.095 1
1 52 . 16 1 1 A 12 12 SER N N 12 116.596 115.878 0.718 1
1 53 . 16 1 1 A 12 12 SER H H 12 8.299 8.442 -0.143 1
1 54 . 16 1 1 A 12 12 SER CA C 12 58.355 57.955 0.400 1
1 55 . 16 1 1 A 12 12 SER HA H 12 4.457 4.745 -0.288 1
1 56 . 16 1 1 A 12 12 SER CB C 12 64.573 65.149 -0.576 1
1 59 . 16 1 1 A 12 12 SER C C 12 173.309 173.537 -0.228 1
1 60 . 16 1 1 A 13 13 PHE N N 13 121.293 118.455 2.838 1
1 61 . 16 1 1 A 13 13 PHE H H 13 8.346 9.080 -0.734 1
1 62 . 16 1 1 A 13 13 PHE CA C 13 56.851 56.110 0.741 1
1 63 . 16 1 1 A 13 13 PHE HA H 13 5.384 5.306 0.078 1
1 64 . 16 1 1 A 13 13 PHE CB C 13 42.542 43.919 -1.377 1
1 77 . 16 1 1 A 13 13 PHE C C 13 174.500 174.652 -0.152 1
1 78 . 16 1 1 A 14 14 VAL N N 14 116.020 116.052 -0.032 1
1 79 . 16 1 1 A 14 14 VAL H H 14 9.313 8.841 0.472 1
1 80 . 16 1 1 A 14 14 VAL CA C 14 60.141 59.474 0.667 1
1 81 . 16 1 1 A 14 14 VAL HA H 14 4.455 4.930 -0.475 1
1 82 . 16 1 1 A 14 14 VAL CB C 14 36.318 36.181 0.137 1
1 92 . 16 1 1 A 14 14 VAL C C 14 174.668 174.470 0.198 1
1 93 . 16 1 1 A 15 15 LEU N N 15 121.725 121.791 -0.066 1
1 94 . 16 1 1 A 15 15 LEU H H 15 8.476 8.532 -0.056 1
1 95 . 16 1 1 A 15 15 LEU CA C 15 54.800 53.308 1.492 1
1 96 . 16 1 1 A 15 15 LEU HA H 15 4.403 4.563 -0.160 1
1 97 . 16 1 1 A 15 15 LEU CB C 15 39.816 42.023 -2.207 1
1 110 . 16 1 1 A 15 15 LEU C C 15 177.001 175.979 1.022 1
1 111 . 16 1 1 A 16 16 ASP N N 16 126.576 125.075 1.501 1
1 112 . 16 1 1 A 16 16 ASP H H 16 8.766 8.321 0.445 1
1 113 . 16 1 1 A 16 16 ASP CA C 16 52.828 53.281 -0.453 1
1 114 . 16 1 1 A 16 16 ASP HA H 16 5.081 4.765 0.316 1
1 115 . 16 1 1 A 16 16 ASP CB C 16 42.268 40.767 1.501 1
1 118 . 16 1 1 A 16 16 ASP C C 16 174.640 175.308 -0.668 1
1 119 . 16 1 1 A 17 17 PHE N N 17 112.958 117.257 -4.299 1
1 120 . 16 1 1 A 17 17 PHE H H 17 6.915 7.056 -0.141 1
1 121 . 16 1 1 A 17 17 PHE CA C 17 55.489 56.428 -0.939 1
1 122 . 16 1 1 A 17 17 PHE HA H 17 4.938 5.225 -0.287 1
1 123 . 16 1 1 A 17 17 PHE CB C 17 39.154 41.692 -2.538 1
1 136 . 16 1 1 A 17 17 PHE C C 17 173.746 173.848 -0.102 1
1 137 . 16 1 1 A 18 18 SER N N 18 114.977 117.684 -2.707 1
1 138 . 16 1 1 A 18 18 SER H H 18 8.569 8.930 -0.361 1
1 139 . 16 1 1 A 18 18 SER CA C 18 57.046 58.892 -1.846 1
1 140 . 16 1 1 A 18 18 SER HA H 18 4.670 4.585 0.085 1
1 141 . 16 1 1 A 18 18 SER CB C 18 63.974 63.656 0.318 1
1 144 . 16 1 1 A 18 18 SER C C 18 175.437 175.155 0.282 1
1 145 . 16 1 1 A 19 19 GLN N N 19 123.586 123.139 0.447 1
1 146 . 16 1 1 A 19 19 GLN H H 19 9.033 8.672 0.361 1
1 147 . 16 1 1 A 19 19 GLN CA C 19 54.023 54.922 -0.899 1
1 148 . 16 1 1 A 19 19 GLN HA H 19 4.558 4.504 0.054 1
1 149 . 16 1 1 A 19 19 GLN CB C 19 27.994 28.486 -0.492 1
1 158 . 16 1 1 A 19 19 GLN C C 19 177.642 176.266 1.376 1
1 159 . 16 1 1 A 20 20 PRO CA C 20 65.836 65.337 0.499 1
1 160 . 16 1 1 A 20 20 PRO HA H 20 4.370 4.491 -0.121 1
1 161 . 16 1 1 A 20 20 PRO CB C 20 32.556 32.186 0.370 1
1 170 . 16 1 1 A 20 20 PRO C C 20 178.374 177.915 0.459 1
1 171 . 16 1 1 A 21 21 SER N N 21 104.386 112.024 -7.638 1
1 172 . 16 1 1 A 21 21 SER H H 21 7.216 8.124 -0.908 1
1 173 . 16 1 1 A 21 21 SER CA C 21 58.886 61.247 -2.361 1
1 174 . 16 1 1 A 21 21 SER HA H 21 3.271 3.859 -0.588 1
1 175 . 16 1 1 A 21 21 SER CB C 21 62.401 62.766 -0.365 1
1 178 . 16 1 1 A 21 21 SER C C 21 174.423 176.739 -2.316 1
1 179 . 16 1 1 A 22 22 ALA N N 22 123.008 122.567 0.441 1
1 180 . 16 1 1 A 22 22 ALA H H 22 7.700 7.976 -0.276 1
1 181 . 16 1 1 A 22 22 ALA CA C 22 53.968 55.617 -1.649 1
1 182 . 16 1 1 A 22 22 ALA HA H 22 4.198 4.085 0.113 1
1 183 . 16 1 1 A 22 22 ALA CB C 22 18.504 19.089 -0.585 1
1 187 . 16 1 1 A 22 22 ALA C C 22 177.624 177.925 -0.301 1
1 188 . 16 1 1 A 23 23 ASP N N 23 117.789 117.613 0.176 1
1 189 . 16 1 1 A 23 23 ASP H H 23 7.080 8.054 -0.974 1
1 190 . 16 1 1 A 23 23 ASP CA C 23 52.151 53.505 -1.354 1
1 191 . 16 1 1 A 23 23 ASP HA H 23 4.893 4.952 -0.059 1
1 192 . 16 1 1 A 23 23 ASP CB C 23 40.592 40.228 0.364 1
1 195 . 16 1 1 A 23 23 ASP C C 23 175.032 175.984 -0.952 1
1 196 . 16 1 1 A 24 24 TYR N N 24 123.295 126.675 -3.380 1
1 197 . 16 1 1 A 24 24 TYR H H 24 8.217 8.979 -0.762 1
1 198 . 16 1 1 A 24 24 TYR CA C 24 61.711 61.678 0.033 1
1 199 . 16 1 1 A 24 24 TYR HA H 24 4.196 4.016 0.180 1
1 200 . 16 1 1 A 24 24 TYR CB C 24 38.456 39.158 -0.702 1
1 211 . 16 1 1 A 24 24 TYR C C 24 177.434 177.277 0.157 1
1 212 . 16 1 1 A 25 25 LEU N N 25 119.429 121.033 -1.604 1
1 213 . 16 1 1 A 25 25 LEU H H 25 8.074 8.505 -0.431 1
1 214 . 16 1 1 A 25 25 LEU CA C 25 57.691 58.323 -0.632 1
1 215 . 16 1 1 A 25 25 LEU HA H 25 3.967 3.673 0.294 1
1 216 . 16 1 1 A 25 25 LEU CB C 25 41.388 41.450 -0.062 1
1 229 . 16 1 1 A 25 25 LEU C C 25 178.768 178.413 0.355 1
1 230 . 16 1 1 A 26 26 ASP N N 26 119.881 118.799 1.082 1
1 231 . 16 1 1 A 26 26 ASP H H 26 7.561 8.254 -0.693 1
1 232 . 16 1 1 A 26 26 ASP CA C 26 57.625 56.883 0.742 1
1 233 . 16 1 1 A 26 26 ASP HA H 26 4.367 4.296 0.071 1
1 234 . 16 1 1 A 26 26 ASP CB C 26 42.955 41.280 1.675 1
1 237 . 16 1 1 A 26 26 ASP C C 26 177.657 178.462 -0.805 1
1 238 . 16 1 1 A 27 27 PHE N N 27 118.946 120.521 -1.575 1
1 239 . 16 1 1 A 27 27 PHE H H 27 8.750 8.178 0.572 1
1 240 . 16 1 1 A 27 27 PHE CA C 27 61.323 61.144 0.179 1
1 241 . 16 1 1 A 27 27 PHE HA H 27 4.088 4.142 -0.054 1
1 242 . 16 1 1 A 27 27 PHE CB C 27 39.606 39.537 0.069 1
1 255 . 16 1 1 A 27 27 PHE C C 27 176.662 177.180 -0.518 1
1 256 . 16 1 1 A 28 28 ARG N N 28 116.744 118.513 -1.769 1
1 257 . 16 1 1 A 28 28 ARG H H 28 8.079 8.542 -0.463 1
1 258 . 16 1 1 A 28 28 ARG CA C 28 59.051 58.753 0.298 1
1 259 . 16 1 1 A 28 28 ARG HA H 28 3.590 4.058 -0.468 1
1 260 . 16 1 1 A 28 28 ARG CB C 28 29.516 29.794 -0.278 1
1 269 . 16 1 1 A 28 28 ARG C C 28 179.306 178.050 1.256 1
1 270 . 16 1 1 A 29 29 ASN N N 29 119.381 117.698 1.683 1
1 271 . 16 1 1 A 29 29 ASN H H 29 8.106 8.221 -0.115 1
1 272 . 16 1 1 A 29 29 ASN CA C 29 55.861 55.544 0.317 1
1 273 . 16 1 1 A 29 29 ASN HA H 29 4.361 4.437 -0.076 1
1 274 . 16 1 1 A 29 29 ASN CB C 29 37.622 37.874 -0.252 1
1 280 . 16 1 1 A 29 29 ASN C C 29 178.555 178.425 0.130 1
1 281 . 16 1 1 A 30 30 ARG N N 30 123.244 120.020 3.224 1
1 282 . 16 1 1 A 30 30 ARG H H 30 8.640 7.914 0.726 1
1 283 . 16 1 1 A 30 30 ARG CA C 30 59.708 58.521 1.187 1
1 284 . 16 1 1 A 30 30 ARG HA H 30 3.912 3.969 -0.057 1
1 285 . 16 1 1 A 30 30 ARG CB C 30 30.910 29.757 1.153 1
1 296 . 16 1 1 A 30 30 ARG C C 30 178.651 178.680 -0.029 1
1 297 . 16 1 1 A 31 31 LEU N N 31 119.911 121.218 -1.307 1
1 298 . 16 1 1 A 31 31 LEU H H 31 7.988 7.459 0.529 1
1 299 . 16 1 1 A 31 31 LEU CA C 31 58.049 56.452 1.597 1
1 300 . 16 1 1 A 31 31 LEU HA H 31 3.409 3.906 -0.497 1
1 301 . 16 1 1 A 31 31 LEU CB C 31 41.342 41.470 -0.128 1
1 314 . 16 1 1 A 31 31 LEU C C 31 178.698 177.880 0.818 1
1 315 . 16 1 1 A 32 32 GLN N N 32 114.904 117.944 -3.040 1
1 316 . 16 1 1 A 32 32 GLN H H 32 7.416 7.577 -0.161 1
1 317 . 16 1 1 A 32 32 GLN CA C 32 58.019 57.038 0.981 1
1 318 . 16 1 1 A 32 32 GLN HA H 32 3.891 4.178 -0.287 1
1 319 . 16 1 1 A 32 32 GLN CB C 32 28.679 29.290 -0.611 1
1 328 . 16 1 1 A 32 32 GLN C C 32 176.457 176.897 -0.440 1
1 329 . 16 1 1 A 33 33 ALA N N 33 119.088 121.068 -1.980 1
1 330 . 16 1 1 A 33 33 ALA H H 33 7.791 7.541 0.250 1
1 331 . 16 1 1 A 33 33 ALA CA C 33 54.057 53.370 0.687 1
1 332 . 16 1 1 A 33 33 ALA HA H 33 4.099 4.174 -0.075 1
1 333 . 16 1 1 A 33 33 ALA CB C 33 19.921 19.240 0.681 1
1 337 . 16 1 1 A 33 33 ALA C C 33 178.303 177.885 0.418 1
1 338 . 16 1 1 A 34 34 ASP N N 34 115.377 117.111 -1.734 1
1 339 . 16 1 1 A 34 34 ASP H H 34 8.662 8.036 0.626 1
1 340 . 16 1 1 A 34 34 ASP CA C 34 55.153 53.389 1.764 1
1 341 . 16 1 1 A 34 34 ASP HA H 34 4.698 4.793 -0.095 1
1 342 . 16 1 1 A 34 34 ASP CB C 34 41.976 41.452 0.524 1
1 345 . 16 1 1 A 34 34 ASP C C 34 177.531 175.527 2.004 1
1 346 . 16 1 1 A 35 35 HIS N N 35 108.110 116.058 -7.948 1
1 347 . 16 1 1 A 35 35 HIS H H 35 7.018 7.719 -0.701 1
1 348 . 16 1 1 A 35 35 HIS CA C 35 58.336 56.737 1.599 1
1 349 . 16 1 1 A 35 35 HIS HA H 35 4.543 4.337 0.206 1
1 350 . 16 1 1 A 35 35 HIS CB C 35 26.472 26.426 0.046 1
1 357 . 16 1 1 A 35 35 HIS C C 35 171.507 173.286 -1.779 1
1 358 . 16 1 1 A 36 36 VAL N N 36 115.529 116.610 -1.081 1
1 359 . 16 1 1 A 36 36 VAL H H 36 7.065 7.387 -0.322 1
1 360 . 16 1 1 A 36 36 VAL CA C 36 58.549 60.689 -2.140 1
1 361 . 16 1 1 A 36 36 VAL HA H 36 4.867 4.536 0.331 1
1 362 . 16 1 1 A 36 36 VAL CB C 36 33.135 34.274 -1.139 1
1 372 . 16 1 1 A 36 36 VAL C C 36 171.953 173.742 -1.789 1
1 373 . 16 1 1 A 37 37 CYS N N 37 124.685 124.763 -0.078 1
1 374 . 16 1 1 A 37 37 CYS H H 37 8.694 8.617 0.077 1
1 375 . 16 1 1 A 37 37 CYS CA C 37 59.979 58.553 1.426 1
1 376 . 16 1 1 A 37 37 CYS HA H 37 4.594 5.049 -0.455 1
1 377 . 16 1 1 A 37 37 CYS CB C 37 29.016 31.304 -2.288 1
1 380 . 16 1 1 A 37 37 CYS C C 37 173.445 173.066 0.379 1
1 381 . 16 1 1 A 38 38 LEU N N 38 132.291 128.028 4.263 1
1 382 . 16 1 1 A 38 38 LEU H H 38 9.625 8.350 1.275 1
1 383 . 16 1 1 A 38 38 LEU CA C 38 57.958 56.212 1.746 1
1 384 . 16 1 1 A 38 38 LEU HA H 38 4.167 4.477 -0.310 1
1 385 . 16 1 1 A 38 38 LEU CB C 38 42.189 42.618 -0.429 1
1 398 . 16 1 1 A 38 38 LEU C C 38 173.188 177.385 -4.197 1
1 399 . 16 1 1 A 39 39 GLU N N 39 127.988 127.753 0.235 1
1 400 . 16 1 1 A 39 39 GLU H H 39 9.267 9.507 -0.240 1
1 401 . 16 1 1 A 39 39 GLU CA C 39 57.435 58.581 -1.146 1
1 402 . 16 1 1 A 39 39 GLU HA H 39 4.521 4.325 0.196 1
1 403 . 16 1 1 A 39 39 GLU CB C 39 31.891 30.526 1.365 1
1 409 . 16 1 1 A 39 39 GLU C C 39 175.300 176.396 -1.096 1
1 410 . 16 1 1 A 40 40 ASN N N 40 115.109 113.211 1.898 1
1 411 . 16 1 1 A 40 40 ASN H H 40 7.757 7.769 -0.012 1
1 412 . 16 1 1 A 40 40 ASN CA C 40 52.151 51.864 0.287 1
1 413 . 16 1 1 A 40 40 ASN HA H 40 5.353 5.297 0.056 1
1 414 . 16 1 1 A 40 40 ASN CB C 40 43.324 41.959 1.365 1
1 420 . 16 1 1 A 40 40 ASN C C 40 173.918 173.213 0.705 1
1 421 . 16 1 1 A 41 41 CYS N N 41 120.861 119.823 1.038 1
1 422 . 16 1 1 A 41 41 CYS H H 41 9.646 9.031 0.615 1
1 423 . 16 1 1 A 41 41 CYS CA C 41 58.934 57.227 1.707 1
1 424 . 16 1 1 A 41 41 CYS HA H 41 5.167 5.277 -0.110 1
1 425 . 16 1 1 A 41 41 CYS CB C 41 30.293 30.739 -0.446 1
1 428 . 16 1 1 A 41 41 CYS C C 41 171.600 173.555 -1.955 1
1 429 . 16 1 1 A 42 42 VAL N N 42 126.721 122.913 3.808 1
1 430 . 16 1 1 A 42 42 VAL H H 42 9.532 9.133 0.399 1
1 431 . 16 1 1 A 42 42 VAL CA C 42 60.463 59.409 1.054 1
1 432 . 16 1 1 A 42 42 VAL HA H 42 4.454 5.038 -0.584 1
1 433 . 16 1 1 A 42 42 VAL CB C 42 35.496 35.137 0.359 1
1 443 . 16 1 1 A 42 42 VAL C C 42 173.645 173.743 -0.098 1
1 444 . 16 1 1 A 43 43 LEU N N 43 127.183 124.580 2.603 1
1 445 . 16 1 1 A 43 43 LEU H H 43 8.597 8.797 -0.200 1
1 446 . 16 1 1 A 43 43 LEU CA C 43 54.209 53.697 0.512 1
1 447 . 16 1 1 A 43 43 LEU HA H 43 5.050 5.008 0.042 1
1 448 . 16 1 1 A 43 43 LEU CB C 43 43.450 45.752 -2.302 1
1 461 . 16 1 1 A 43 43 LEU C C 43 176.151 175.127 1.024 1
1 462 . 16 1 1 A 44 44 LYS N N 44 127.086 126.575 0.511 1
1 463 . 16 1 1 A 44 44 LYS H H 44 8.726 9.426 -0.700 1
1 464 . 16 1 1 A 44 44 LYS CA C 44 55.033 54.751 0.282 1
1 465 . 16 1 1 A 44 44 LYS HA H 44 4.552 4.610 -0.058 1
1 466 . 16 1 1 A 44 44 LYS CB C 44 34.147 34.086 0.061 1
1 478 . 16 1 1 A 44 44 LYS C C 44 175.176 177.849 -2.673 1
1 479 . 16 1 1 A 45 45 ASP N N 45 123.045 120.603 2.442 1
1 480 . 16 1 1 A 45 45 ASP H H 45 8.876 8.807 0.069 1
1 481 . 16 1 1 A 45 45 ASP CA C 45 56.515 57.810 -1.295 1
1 482 . 16 1 1 A 45 45 ASP HA H 45 4.321 4.256 0.065 1
1 483 . 16 1 1 A 45 45 ASP CB C 45 39.782 40.845 -1.063 1
1 486 . 16 1 1 A 45 45 ASP C C 45 175.339 177.359 -2.020 1
1 487 . 16 1 1 A 46 46 LYS N N 46 118.201 117.277 0.924 1
1 488 . 16 1 1 A 46 46 LYS H H 46 8.620 8.332 0.288 1
1 489 . 16 1 1 A 46 46 LYS CA C 46 56.158 55.321 0.837 1
1 490 . 16 1 1 A 46 46 LYS HA H 46 4.079 4.491 -0.412 1
1 491 . 16 1 1 A 46 46 LYS CB C 46 30.929 32.805 -1.876 1
1 503 . 16 1 1 A 46 46 LYS C C 46 174.615 175.203 -0.588 1
1 504 . 16 1 1 A 47 47 ALA N N 47 121.283 120.316 0.967 1
1 505 . 16 1 1 A 47 47 ALA H H 47 7.611 7.354 0.257 1
1 506 . 16 1 1 A 47 47 ALA CA C 47 51.809 51.452 0.357 1
1 507 . 16 1 1 A 47 47 ALA HA H 47 5.105 4.626 0.479 1
1 508 . 16 1 1 A 47 47 ALA CB C 47 22.739 23.026 -0.287 1
1 512 . 16 1 1 A 47 47 ALA C C 47 175.508 175.453 0.055 1
1 513 . 16 1 1 A 48 48 ILE N N 48 114.639 113.973 0.666 1
1 514 . 16 1 1 A 48 48 ILE H H 48 8.819 8.367 0.452 1
1 515 . 16 1 1 A 48 48 ILE CA C 48 59.017 59.521 -0.504 1
1 516 . 16 1 1 A 48 48 ILE HA H 48 5.230 5.024 0.206 1
1 517 . 16 1 1 A 48 48 ILE CB C 48 41.811 42.462 -0.651 1
1 530 . 16 1 1 A 48 48 ILE C C 48 172.954 174.273 -1.319 1
1 531 . 16 1 1 A 49 49 ALA N N 49 126.155 123.098 3.057 1
1 532 . 16 1 1 A 49 49 ALA H H 49 8.652 8.389 0.263 1
1 533 . 16 1 1 A 49 49 ALA CA C 49 50.095 50.856 -0.761 1
1 534 . 16 1 1 A 49 49 ALA HA H 49 4.769 5.344 -0.575 1
1 535 . 16 1 1 A 49 49 ALA CB C 49 22.651 22.887 -0.236 1
1 539 . 16 1 1 A 49 49 ALA C C 49 175.812 175.810 0.002 1
1 540 . 16 1 1 A 50 50 GLY N N 50 105.980 107.365 -1.385 1
1 541 . 16 1 1 A 50 50 GLY H H 50 6.754 7.233 -0.479 1
1 542 . 16 1 1 A 50 50 GLY CA C 50 46.134 44.643 1.491 1
1 543 . 16 1 1 A 50 50 GLY HA2 H 50 3.803 3.682 0.121 1
1 544 . 16 1 1 A 50 50 GLY HA3 H 50 4.077 4.016 0.061 1
1 545 . 16 1 1 A 50 50 GLY C C 50 172.510 172.057 0.453 1
1 546 . 16 1 1 A 51 51 THR N N 51 108.648 112.380 -3.732 1
1 547 . 16 1 1 A 51 51 THR H H 51 8.556 8.689 -0.133 1
1 548 . 16 1 1 A 51 51 THR CA C 51 59.116 60.396 -1.280 1
1 549 . 16 1 1 A 51 51 THR HA H 51 5.588 5.581 0.007 1
1 550 . 16 1 1 A 51 51 THR CB C 51 72.737 70.613 2.124 1
1 556 . 16 1 1 A 51 51 THR C C 51 174.087 173.887 0.200 1
1 557 . 16 1 1 A 52 52 VAL N N 52 122.025 126.949 -4.924 1
1 558 . 16 1 1 A 52 52 VAL H H 52 9.746 9.669 0.077 1
1 559 . 16 1 1 A 52 52 VAL CA C 52 61.371 61.301 0.070 1
1 560 . 16 1 1 A 52 52 VAL HA H 52 4.463 4.775 -0.312 1
1 561 . 16 1 1 A 52 52 VAL CB C 52 36.986 33.663 3.323 1
1 571 . 16 1 1 A 52 52 VAL C C 52 174.687 174.603 0.084 1
1 572 . 16 1 1 A 53 53 LYS N N 53 125.115 128.081 -2.966 1
1 573 . 16 1 1 A 53 53 LYS H H 53 8.567 9.170 -0.603 1
1 574 . 16 1 1 A 53 53 LYS CA C 53 53.668 54.990 -1.322 1
1 575 . 16 1 1 A 53 53 LYS HA H 53 5.599 5.254 0.345 1
1 576 . 16 1 1 A 53 53 LYS CB C 53 37.855 34.770 3.085 1
1 588 . 16 1 1 A 53 53 LYS C C 53 174.697 175.550 -0.853 1
1 589 . 16 1 1 A 54 54 VAL N N 54 110.661 119.088 -8.427 1
1 590 . 16 1 1 A 54 54 VAL H H 54 8.498 8.872 -0.374 1
1 591 . 16 1 1 A 54 54 VAL CA C 54 57.682 58.506 -0.824 1
1 592 . 16 1 1 A 54 54 VAL HA H 54 4.825 4.579 0.246 1
1 593 . 16 1 1 A 54 54 VAL CB C 54 34.634 35.280 -0.646 1
1 603 . 16 1 1 A 54 54 VAL C C 54 176.105 174.389 1.716 1
1 604 . 16 1 1 A 55 55 GLN N N 55 119.414 120.230 -0.816 1
1 605 . 16 1 1 A 55 55 GLN H H 55 7.924 7.810 0.114 1
1 606 . 16 1 1 A 55 55 GLN CA C 55 56.023 55.149 0.874 1
1 607 . 16 1 1 A 55 55 GLN HA H 55 4.456 4.766 -0.310 1
1 608 . 16 1 1 A 55 55 GLN CB C 55 30.216 30.828 -0.612 1
1 617 . 16 1 1 A 55 55 GLN C C 55 176.800 175.325 1.475 1
1 618 . 16 1 1 A 56 56 ASN N N 56 125.676 122.695 2.981 1
1 619 . 16 1 1 A 56 56 ASN H H 56 8.837 8.689 0.148 1
1 620 . 16 1 1 A 56 56 ASN CA C 56 53.190 52.223 0.967 1
1 621 . 16 1 1 A 56 56 ASN HA H 56 4.575 4.760 -0.185 1
1 622 . 16 1 1 A 56 56 ASN CB C 56 36.855 37.477 -0.622 1
1 628 . 16 1 1 A 56 56 ASN C C 56 174.747 175.415 -0.668 1
1 629 . 16 1 1 A 57 57 LEU N N 57 124.779 127.259 -2.480 1
1 630 . 16 1 1 A 57 57 LEU H H 57 7.284 8.417 -1.133 1
1 631 . 16 1 1 A 57 57 LEU CA C 57 55.224 56.176 -0.952 1
1 632 . 16 1 1 A 57 57 LEU HA H 57 4.326 4.258 0.068 1
1 633 . 16 1 1 A 57 57 LEU CB C 57 43.634 42.769 0.865 1
1 646 . 16 1 1 A 57 57 LEU C C 57 176.186 176.858 -0.672 1
1 647 . 16 1 1 A 58 58 ALA N N 58 119.342 119.514 -0.172 1
1 648 . 16 1 1 A 58 58 ALA H H 58 7.724 8.001 -0.277 1
1 649 . 16 1 1 A 58 58 ALA CA C 58 51.687 50.033 1.654 1
1 650 . 16 1 1 A 58 58 ALA HA H 58 4.343 4.336 0.007 1
1 651 . 16 1 1 A 58 58 ALA CB C 58 21.122 21.560 -0.438 1
1 655 . 16 1 1 A 58 58 ALA C C 58 175.847 177.326 -1.479 1
1 656 . 16 1 1 A 59 59 PHE N N 59 118.235 118.870 -0.635 1
1 657 . 16 1 1 A 59 59 PHE H H 59 8.231 8.387 -0.156 1
1 658 . 16 1 1 A 59 59 PHE CA C 59 60.105 61.207 -1.102 1
1 659 . 16 1 1 A 59 59 PHE HA H 59 4.428 4.276 0.152 1
1 660 . 16 1 1 A 59 59 PHE CB C 59 40.386 39.389 0.997 1
1 673 . 16 1 1 A 59 59 PHE C C 59 176.670 176.622 0.048 1
1 674 . 16 1 1 A 60 60 GLU N N 60 120.295 116.246 4.049 1
1 675 . 16 1 1 A 60 60 GLU H H 60 8.482 8.022 0.460 1
1 676 . 16 1 1 A 60 60 GLU CA C 60 57.134 55.757 1.377 1
1 677 . 16 1 1 A 60 60 GLU HA H 60 4.306 4.729 -0.423 1
1 678 . 16 1 1 A 60 60 GLU CB C 60 29.569 30.870 -1.301 1
1 684 . 16 1 1 A 60 60 GLU C C 60 175.584 175.940 -0.356 1
1 685 . 16 1 1 A 61 61 LYS N N 61 123.512 119.667 3.845 1
1 686 . 16 1 1 A 61 61 LYS H H 61 8.377 8.515 -0.138 1
1 687 . 16 1 1 A 61 61 LYS CA C 61 55.939 55.124 0.815 1
1 688 . 16 1 1 A 61 61 LYS HA H 61 5.038 5.032 0.006 1
1 689 . 16 1 1 A 61 61 LYS CB C 61 37.890 36.830 1.060 1
1 701 . 16 1 1 A 61 61 LYS C C 61 175.510 175.242 0.268 1
1 702 . 16 1 1 A 62 62 THR N N 62 117.107 119.064 -1.957 1
1 703 . 16 1 1 A 62 62 THR H H 62 8.285 8.229 0.056 1
1 704 . 16 1 1 A 62 62 THR CA C 62 62.340 61.804 0.536 1
1 705 . 16 1 1 A 62 62 THR HA H 62 4.435 4.749 -0.314 1
1 706 . 16 1 1 A 62 62 THR CB C 62 71.605 69.794 1.811 1
1 712 . 16 1 1 A 62 62 THR C C 62 172.156 173.305 -1.149 1
1 713 . 16 1 1 A 63 63 VAL N N 63 128.402 127.489 0.913 1
1 714 . 16 1 1 A 63 63 VAL H H 63 8.719 8.986 -0.267 1
1 715 . 16 1 1 A 63 63 VAL CA C 63 60.707 61.185 -0.478 1
1 716 . 16 1 1 A 63 63 VAL HA H 63 4.755 4.588 0.167 1
1 717 . 16 1 1 A 63 63 VAL CB C 63 35.210 32.332 2.878 1
1 727 . 16 1 1 A 63 63 VAL C C 63 174.313 175.457 -1.144 1
1 728 . 16 1 1 A 64 64 LYS N N 64 123.629 125.899 -2.270 1
1 729 . 16 1 1 A 64 64 LYS H H 64 8.519 8.431 0.088 1
1 730 . 16 1 1 A 64 64 LYS CA C 64 54.850 54.914 -0.064 1
1 731 . 16 1 1 A 64 64 LYS HA H 64 4.997 5.130 -0.133 1
1 732 . 16 1 1 A 64 64 LYS CB C 64 37.343 36.048 1.295 1
1 744 . 16 1 1 A 64 64 LYS C C 64 173.348 175.269 -1.921 1
1 745 . 16 1 1 A 65 65 ILE N N 65 119.250 124.521 -5.271 1
1 746 . 16 1 1 A 65 65 ILE H H 65 8.637 8.626 0.011 1
1 747 . 16 1 1 A 65 65 ILE CA C 65 57.894 60.219 -2.325 1
1 748 . 16 1 1 A 65 65 ILE HA H 65 4.451 4.608 -0.157 1
1 749 . 16 1 1 A 65 65 ILE CB C 65 37.638 38.099 -0.461 1
1 762 . 16 1 1 A 65 65 ILE C C 65 174.893 175.312 -0.419 1
1 763 . 16 1 1 A 66 66 ARG N N 66 130.193 127.244 2.949 1
1 764 . 16 1 1 A 66 66 ARG H H 66 9.244 8.628 0.616 1
1 765 . 16 1 1 A 66 66 ARG CA C 66 55.930 54.504 1.426 1
1 766 . 16 1 1 A 66 66 ARG HA H 66 5.440 4.721 0.719 1
1 767 . 16 1 1 A 66 66 ARG CB C 66 31.514 31.683 -0.169 1
1 778 . 16 1 1 A 66 66 ARG C C 66 174.161 174.432 -0.271 1
1 779 . 16 1 1 A 67 67 MET N N 67 128.046 125.430 2.616 1
1 780 . 16 1 1 A 67 67 MET H H 67 9.343 9.146 0.197 1
1 781 . 16 1 1 A 67 67 MET CA C 67 54.217 53.913 0.304 1
1 782 . 16 1 1 A 67 67 MET HA H 67 5.318 5.157 0.161 1
1 783 . 16 1 1 A 67 67 MET CB C 67 37.533 36.076 1.457 1
1 793 . 16 1 1 A 67 67 MET C C 67 173.432 173.929 -0.497 1
1 794 . 16 1 1 A 68 68 THR N N 68 118.404 118.892 -0.488 1
1 795 . 16 1 1 A 68 68 THR H H 68 8.474 8.452 0.022 1
1 796 . 16 1 1 A 68 68 THR CA C 68 58.903 59.291 -0.388 1
1 797 . 16 1 1 A 68 68 THR HA H 68 3.948 5.157 -1.209 1
1 798 . 16 1 1 A 68 68 THR CB C 68 71.091 71.398 -0.307 1
1 804 . 16 1 1 A 68 68 THR C C 68 170.783 173.530 -2.747 1
1 805 . 16 1 1 A 69 69 PHE N N 69 124.029 123.258 0.771 1
1 806 . 16 1 1 A 69 69 PHE H H 69 8.910 9.381 -0.471 1
1 807 . 16 1 1 A 69 69 PHE CA C 69 55.772 57.652 -1.880 1
1 808 . 16 1 1 A 69 69 PHE HA H 69 4.783 4.758 0.025 1
1 809 . 16 1 1 A 69 69 PHE CB C 69 39.748 40.353 -0.605 1
1 822 . 16 1 1 A 69 69 PHE C C 69 174.951 175.413 -0.462 1
1 823 . 16 1 1 A 70 70 ASP N N 70 121.457 116.636 4.821 1
1 824 . 16 1 1 A 70 70 ASP H H 70 8.841 7.744 1.097 1
1 825 . 16 1 1 A 70 70 ASP CA C 70 52.288 52.557 -0.269 1
1 826 . 16 1 1 A 70 70 ASP HA H 70 4.661 4.973 -0.312 1
1 827 . 16 1 1 A 70 70 ASP CB C 70 40.026 41.007 -0.981 1
1 830 . 16 1 1 A 70 70 ASP C C 70 177.065 175.552 1.513 1
1 831 . 16 1 1 A 71 71 THR N N 71 114.661 111.660 3.001 1
1 832 . 16 1 1 A 71 71 THR H H 71 8.724 9.215 -0.491 1
1 833 . 16 1 1 A 71 71 THR CA C 71 63.824 63.026 0.798 1
1 834 . 16 1 1 A 71 71 THR HA H 71 3.181 4.047 -0.866 1
1 835 . 16 1 1 A 71 71 THR CB C 71 66.535 66.968 -0.433 1
1 841 . 16 1 1 A 71 71 THR C C 71 173.648 173.993 -0.345 1
1 842 . 16 1 1 A 72 72 TRP N N 72 111.097 113.253 -2.156 1
1 843 . 16 1 1 A 72 72 TRP H H 72 8.854 8.031 0.823 1
1 844 . 16 1 1 A 72 72 TRP CA C 72 58.910 57.690 1.220 1
1 845 . 16 1 1 A 72 72 TRP HA H 72 3.951 4.240 -0.289 1
1 846 . 16 1 1 A 72 72 TRP CB C 72 24.332 26.708 -2.376 1
1 861 . 16 1 1 A 72 72 TRP C C 72 176.875 176.168 0.707 1
1 862 . 16 1 1 A 73 73 LYS N N 73 124.701 117.668 7.033 1
1 863 . 16 1 1 A 73 73 LYS H H 73 7.785 8.371 -0.586 1
1 864 . 16 1 1 A 73 73 LYS CA C 73 60.463 56.706 3.757 1
1 865 . 16 1 1 A 73 73 LYS HA H 73 4.174 4.401 -0.227 1
1 866 . 16 1 1 A 73 73 LYS CB C 73 31.024 34.495 -3.471 1
1 878 . 16 1 1 A 73 73 LYS C C 73 177.622 176.432 1.190 1
1 879 . 16 1 1 A 74 74 SER N N 74 117.041 109.602 7.439 1
1 880 . 16 1 1 A 74 74 SER H H 74 10.002 6.960 3.042 1
1 881 . 16 1 1 A 74 74 SER CA C 74 57.539 57.512 0.027 1
1 882 . 16 1 1 A 74 74 SER HA H 74 4.556 4.465 0.091 1
1 883 . 16 1 1 A 74 74 SER CB C 74 66.372 65.108 1.264 1
1 886 . 16 1 1 A 74 74 SER C C 74 171.956 172.160 -0.204 1
1 887 . 16 1 1 A 75 75 TYR N N 75 113.320 122.328 -9.008 1
1 888 . 16 1 1 A 75 75 TYR H H 75 7.735 8.301 -0.566 1
1 889 . 16 1 1 A 75 75 TYR CA C 75 57.155 55.493 1.662 1
1 890 . 16 1 1 A 75 75 TYR HA H 75 5.229 5.547 -0.318 1
1 891 . 16 1 1 A 75 75 TYR CB C 75 40.745 41.061 -0.316 1
1 902 . 16 1 1 A 75 75 TYR C C 75 174.262 173.049 1.213 1
1 903 . 16 1 1 A 76 76 THR N N 76 117.158 114.805 2.353 1
1 904 . 16 1 1 A 76 76 THR H H 76 9.212 8.818 0.394 1
1 905 . 16 1 1 A 76 76 THR CA C 76 62.104 61.081 1.023 1
1 906 . 16 1 1 A 76 76 THR HA H 76 4.318 4.955 -0.637 1
1 907 . 16 1 1 A 76 76 THR CB C 76 72.675 71.236 1.439 1
1 913 . 16 1 1 A 76 76 THR C C 76 171.344 172.427 -1.083 1
1 914 . 16 1 1 A 77 77 ASP N N 77 125.875 125.665 0.210 1
1 915 . 16 1 1 A 77 77 ASP H H 77 8.569 8.663 -0.094 1
1 916 . 16 1 1 A 77 77 ASP CA C 77 52.422 53.179 -0.757 1
1 917 . 16 1 1 A 77 77 ASP HA H 77 5.865 4.588 1.277 1
1 918 . 16 1 1 A 77 77 ASP CB C 77 41.512 41.148 0.364 1
1 921 . 16 1 1 A 77 77 ASP C C 77 175.921 175.144 0.777 1
1 922 . 16 1 1 A 78 78 PHE N N 78 125.666 123.622 2.044 1
1 923 . 16 1 1 A 78 78 PHE H H 78 9.992 8.100 1.892 1
1 924 . 16 1 1 A 78 78 PHE CA C 78 55.578 55.636 -0.058 1
1 925 . 16 1 1 A 78 78 PHE HA H 78 4.943 4.942 0.001 1
1 926 . 16 1 1 A 78 78 PHE CB C 78 40.375 40.194 0.181 1
1 939 . 16 1 1 A 78 78 PHE C C 78 173.610 174.090 -0.480 1
1 940 . 16 1 1 A 79 79 PRO CA C 79 63.363 63.178 0.185 1
1 941 . 16 1 1 A 79 79 PRO HA H 79 4.615 4.606 0.009 1
1 942 . 16 1 1 A 79 79 PRO CB C 79 32.787 32.565 0.222 1
1 951 . 16 1 1 A 79 79 PRO C C 79 176.681 176.992 -0.311 1
1 952 . 16 1 1 A 80 80 CYS N N 80 117.289 120.892 -3.603 1
1 953 . 16 1 1 A 80 80 CYS H H 80 8.308 8.101 0.207 1
1 954 . 16 1 1 A 80 80 CYS CA C 80 57.675 59.349 -1.674 1
1 955 . 16 1 1 A 80 80 CYS HA H 80 5.242 5.017 0.225 1
1 956 . 16 1 1 A 80 80 CYS CB C 80 30.658 29.655 1.003 1
1 959 . 16 1 1 A 80 80 CYS C C 80 174.899 174.781 0.118 1
1 960 . 16 1 1 A 81 81 GLN N N 81 122.188 118.097 4.091 1
1 961 . 16 1 1 A 81 81 GLN H H 81 9.312 9.221 0.091 1
1 962 . 16 1 1 A 81 81 GLN CA C 81 54.620 53.606 1.014 1
1 963 . 16 1 1 A 81 81 GLN HA H 81 4.911 5.283 -0.372 1
1 964 . 16 1 1 A 81 81 GLN CB C 81 31.213 32.417 -1.204 1
1 973 . 16 1 1 A 81 81 GLN C C 81 175.035 173.485 1.550 1
1 974 . 16 1 1 A 82 82 TYR N N 82 125.814 122.457 3.357 1
1 975 . 16 1 1 A 82 82 TYR H H 82 8.919 9.000 -0.081 1
1 976 . 16 1 1 A 82 82 TYR CA C 82 58.764 56.331 2.433 1
1 977 . 16 1 1 A 82 82 TYR HA H 82 3.403 5.045 -1.642 1
1 978 . 16 1 1 A 82 82 TYR CB C 82 38.346 40.746 -2.400 1
1 989 . 16 1 1 A 82 82 TYR C C 82 175.413 174.116 1.297 1
1 990 . 16 1 1 A 83 83 VAL N N 83 129.316 127.154 2.162 1
1 991 . 16 1 1 A 83 83 VAL H H 83 7.782 8.353 -0.571 1
1 992 . 16 1 1 A 83 83 VAL CA C 83 61.693 62.262 -0.569 1
1 993 . 16 1 1 A 83 83 VAL HA H 83 3.758 4.393 -0.635 1
1 994 . 16 1 1 A 83 83 VAL CB C 83 32.564 31.187 1.377 1
1 1004 . 16 1 1 A 83 83 VAL C C 83 173.771 176.241 -2.470 1
1 1005 . 16 1 1 A 84 84 LYS N N 84 126.665 122.398 4.267 1
1 1006 . 16 1 1 A 84 84 LYS H H 84 8.174 8.594 -0.420 1
1 1007 . 16 1 1 A 84 84 LYS CA C 84 56.144 55.860 0.284 1
1 1008 . 16 1 1 A 84 84 LYS HA H 84 4.016 4.808 -0.792 1
1 1009 . 16 1 1 A 84 84 LYS CB C 84 32.170 32.096 0.074 1
1 1021 . 16 1 1 A 84 84 LYS C C 84 175.610 176.126 -0.516 1
1 1022 . 16 1 1 A 85 85 ASP N N 85 124.262 120.171 4.091 1
1 1023 . 16 1 1 A 85 85 ASP H H 85 7.864 7.595 0.269 1
1 1024 . 16 1 1 A 85 85 ASP CA C 85 53.349 53.581 -0.232 1
1 1025 . 16 1 1 A 85 85 ASP HA H 85 4.678 4.772 -0.094 1
1 1026 . 16 1 1 A 85 85 ASP CB C 85 41.683 41.797 -0.114 1
1 1029 . 16 1 1 A 85 85 ASP C C 85 176.841 177.551 -0.710 1
1 1030 . 16 1 1 A 86 86 THR N N 86 113.656 117.361 -3.705 1
1 1031 . 16 1 1 A 86 86 THR H H 86 8.065 8.827 -0.762 1
1 1032 . 16 1 1 A 86 86 THR CA C 86 63.274 66.394 -3.120 1
1 1033 . 16 1 1 A 86 86 THR HA H 86 4.086 3.921 0.165 1
1 1034 . 16 1 1 A 86 86 THR CB C 86 69.257 68.842 0.415 1
1 1040 . 16 1 1 A 86 86 THR C C 86 174.589 175.748 -1.159 1
1 1041 . 16 1 1 A 87 87 TYR N N 87 120.837 122.045 -1.208 1
1 1042 . 16 1 1 A 87 87 TYR H H 87 8.064 8.377 -0.313 1
1 1043 . 16 1 1 A 87 87 TYR CA C 87 58.054 61.931 -3.877 1
1 1044 . 16 1 1 A 87 87 TYR HA H 87 4.527 3.985 0.542 1
1 1045 . 16 1 1 A 87 87 TYR CB C 87 38.297 38.850 -0.553 1
1 1056 . 16 1 1 A 87 87 TYR C C 87 175.590 176.510 -0.920 1
1 1057 . 16 1 1 A 88 88 ALA N N 88 125.226 120.835 4.391 1
1 1058 . 16 1 1 A 88 88 ALA H H 88 7.963 7.519 0.444 1
1 1059 . 16 1 1 A 88 88 ALA CA C 88 53.104 51.833 1.271 1
1 1060 . 16 1 1 A 88 88 ALA HA H 88 4.389 4.173 0.216 1
1 1061 . 16 1 1 A 88 88 ALA CB C 88 19.127 18.623 0.504 1
1 1065 . 16 1 1 A 88 88 ALA C C 88 178.497 177.124 1.373 1
1 1066 . 16 1 1 A 89 89 GLY N N 89 109.029 112.389 -3.360 1
1 1067 . 16 1 1 A 89 89 GLY H H 89 8.479 8.514 -0.035 1
1 1068 . 16 1 1 A 89 89 GLY CA C 89 45.426 46.153 -0.727 1
1 1069 . 16 1 1 A 89 89 GLY HA2 H 89 3.952 3.883 0.069 1
1 1070 . 16 1 1 A 89 89 GLY HA3 H 89 4.079 3.922 0.157 1
1 1071 . 16 1 1 A 89 89 GLY C C 89 174.563 174.819 -0.256 1
1 1072 . 16 1 1 A 90 90 SER N N 90 115.638 117.612 -1.974 1
1 1073 . 16 1 1 A 90 90 SER H H 90 8.232 7.526 0.706 1
1 1074 . 16 1 1 A 90 90 SER CA C 90 58.443 60.058 -1.615 1
1 1075 . 16 1 1 A 90 90 SER HA H 90 4.574 4.320 0.254 1
1 1076 . 16 1 1 A 90 90 SER CB C 90 63.865 63.415 0.450 1
1 1079 . 16 1 1 A 90 90 SER C C 90 174.212 174.427 -0.215 1
1 1080 . 16 1 1 A 91 91 ASP N N 91 120.185 128.213 -8.028 1
1 1081 . 16 1 1 A 91 91 ASP H H 91 8.691 8.514 0.177 1
1 1082 . 16 1 1 A 91 91 ASP CA C 91 55.012 57.907 -2.895 1
1 1083 . 16 1 1 A 91 91 ASP HA H 91 4.684 4.282 0.402 1
1 1084 . 16 1 1 A 91 91 ASP CB C 91 40.643 40.393 0.250 1
1 1087 . 16 1 1 A 91 91 ASP C C 91 176.350 177.319 -0.969 1
1 1088 . 16 1 1 A 92 92 ARG N N 92 119.690 118.599 1.091 1
1 1089 . 16 1 1 A 92 92 ARG H H 92 8.072 7.741 0.331 1
1 1090 . 16 1 1 A 92 92 ARG CA C 92 54.941 57.092 -2.151 1
1 1091 . 16 1 1 A 92 92 ARG HA H 92 5.022 4.346 0.676 1
1 1092 . 16 1 1 A 92 92 ARG CB C 92 32.816 30.803 2.013 1
1 1101 . 16 1 1 A 92 92 ARG C C 92 174.072 175.606 -1.534 1
1 1102 . 16 1 1 A 93 93 ASP N N 93 119.716 122.083 -2.367 1
1 1103 . 16 1 1 A 93 93 ASP H H 93 8.550 8.575 -0.025 1
1 1104 . 16 1 1 A 93 93 ASP CA C 93 53.411 54.299 -0.888 1
1 1105 . 16 1 1 A 93 93 ASP HA H 93 5.108 4.568 0.540 1
1 1106 . 16 1 1 A 93 93 ASP CB C 93 46.005 40.889 5.116 1
1 1109 . 16 1 1 A 93 93 ASP C C 93 174.776 174.881 -0.105 1
1 1110 . 16 1 1 A 94 94 THR N N 94 116.481 121.306 -4.825 1
1 1111 . 16 1 1 A 94 94 THR H H 94 8.932 8.466 0.466 1
1 1112 . 16 1 1 A 94 94 THR CA C 94 62.287 61.837 0.450 1
1 1113 . 16 1 1 A 94 94 THR HA H 94 5.232 4.717 0.515 1
1 1114 . 16 1 1 A 94 94 THR CB C 94 70.008 68.947 1.061 1
1 1120 . 16 1 1 A 94 94 THR C C 94 171.982 173.821 -1.839 1
1 1121 . 16 1 1 A 95 95 PHE N N 95 124.488 127.556 -3.068 1
1 1122 . 16 1 1 A 95 95 PHE H H 95 9.347 9.035 0.312 1
1 1123 . 16 1 1 A 95 95 PHE CA C 95 55.834 57.192 -1.358 1
1 1124 . 16 1 1 A 95 95 PHE HA H 95 5.321 5.186 0.135 1
1 1125 . 16 1 1 A 95 95 PHE CB C 95 43.478 40.690 2.788 1
1 1138 . 16 1 1 A 95 95 PHE C C 95 174.780 174.846 -0.066 1
1 1139 . 16 1 1 A 96 96 SER N N 96 117.417 118.633 -1.216 1
1 1140 . 16 1 1 A 96 96 SER H H 96 10.108 8.970 1.138 1
1 1141 . 16 1 1 A 96 96 SER CA C 96 56.388 56.373 0.015 1
1 1142 . 16 1 1 A 96 96 SER HA H 96 5.575 5.353 0.222 1
1 1143 . 16 1 1 A 96 96 SER CB C 96 67.188 66.198 0.990 1
1 1146 . 16 1 1 A 96 96 SER C C 96 173.079 173.239 -0.160 1
1 1147 . 16 1 1 A 97 97 PHE N N 97 114.813 119.532 -4.719 1
1 1148 . 16 1 1 A 97 97 PHE H H 97 7.991 8.900 -0.909 1
1 1149 . 16 1 1 A 97 97 PHE CA C 97 56.003 55.177 0.826 1
1 1150 . 16 1 1 A 97 97 PHE HA H 97 5.249 5.753 -0.504 1
1 1151 . 16 1 1 A 97 97 PHE CB C 97 42.008 42.881 -0.873 1
1 1164 . 16 1 1 A 97 97 PHE C C 97 174.316 173.114 1.202 1
1 1165 . 16 1 1 A 98 98 ASP N N 98 121.809 119.300 2.509 1
1 1166 . 16 1 1 A 98 98 ASP H H 98 8.297 9.127 -0.830 1
1 1167 . 16 1 1 A 98 98 ASP CA C 98 54.789 52.829 1.960 1
1 1168 . 16 1 1 A 98 98 ASP HA H 98 5.006 5.635 -0.629 1
1 1169 . 16 1 1 A 98 98 ASP CB C 98 42.282 42.331 -0.049 1
1 1172 . 16 1 1 A 98 98 ASP C C 98 174.959 174.459 0.500 1
1 1173 . 16 1 1 A 99 99 ILE N N 99 126.714 126.225 0.489 1
1 1174 . 16 1 1 A 99 99 ILE H H 99 9.331 8.930 0.401 1
1 1175 . 16 1 1 A 99 99 ILE CA C 99 60.455 60.239 0.216 1
1 1176 . 16 1 1 A 99 99 ILE HA H 99 4.016 4.408 -0.392 1
1 1177 . 16 1 1 A 99 99 ILE CB C 99 42.110 39.259 2.851 1
1 1190 . 16 1 1 A 99 99 ILE C C 99 175.019 175.290 -0.271 1
1 1191 . 16 1 1 A 100 100 SER N N 100 122.590 120.869 1.721 1
1 1192 . 16 1 1 A 100 100 SER H H 100 8.345 8.457 -0.112 1
1 1193 . 16 1 1 A 100 100 SER CA C 100 58.848 56.734 2.114 1
1 1194 . 16 1 1 A 100 100 SER HA H 100 4.527 5.129 -0.602 1
1 1195 . 16 1 1 A 100 100 SER CB C 100 63.482 64.161 -0.679 1
1 1198 . 16 1 1 A 100 100 SER C C 100 173.557 174.266 -0.709 1
1 1199 . 16 1 1 A 101 101 LEU N N 101 124.776 126.415 -1.639 1
1 1200 . 16 1 1 A 101 101 LEU H H 101 8.277 8.325 -0.048 1
1 1201 . 16 1 1 A 101 101 LEU CA C 101 52.430 53.696 -1.266 1
1 1202 . 16 1 1 A 101 101 LEU HA H 101 4.375 4.452 -0.077 1
1 1203 . 16 1 1 A 101 101 LEU CB C 101 40.427 41.306 -0.879 1
1 1216 . 16 1 1 A 101 101 LEU C C 101 174.363 174.838 -0.475 1
1 1217 . 16 1 1 A 102 102 PRO CA C 102 62.488 62.289 0.199 1
1 1218 . 16 1 1 A 102 102 PRO HA H 102 4.259 4.391 -0.132 1
1 1219 . 16 1 1 A 102 102 PRO CB C 102 32.073 32.295 -0.222 1
1 1228 . 16 1 1 A 102 102 PRO C C 102 175.687 177.840 -2.153 1
1 1229 . 16 1 1 A 103 103 GLU N N 103 118.843 121.595 -2.752 1
1 1230 . 16 1 1 A 103 103 GLU H H 103 8.286 8.694 -0.408 1
1 1231 . 16 1 1 A 103 103 GLU CA C 103 58.131 59.001 -0.870 1
1 1232 . 16 1 1 A 103 103 GLU HA H 103 4.013 4.125 -0.112 1
1 1233 . 16 1 1 A 103 103 GLU CB C 103 30.344 29.171 1.173 1
1 1239 . 16 1 1 A 103 103 GLU C C 103 176.869 176.305 0.564 1
1 1240 . 16 1 1 A 104 104 LYS N N 104 116.544 115.794 0.750 1
1 1241 . 16 1 1 A 104 104 LYS H H 104 7.869 7.577 0.292 1
1 1242 . 16 1 1 A 104 104 LYS CA C 104 55.314 55.174 0.140 1
1 1243 . 16 1 1 A 104 104 LYS HA H 104 4.474 4.753 -0.279 1
1 1244 . 16 1 1 A 104 104 LYS CB C 104 33.428 35.059 -1.631 1
1 1256 . 16 1 1 A 104 104 LYS C C 104 175.231 173.969 1.262 1
1 1257 . 16 1 1 A 105 105 ILE N N 105 122.507 120.076 2.431 1
1 1258 . 16 1 1 A 105 105 ILE H H 105 8.236 8.558 -0.322 1
1 1259 . 16 1 1 A 105 105 ILE CA C 105 60.636 60.560 0.076 1
1 1260 . 16 1 1 A 105 105 ILE HA H 105 4.190 4.973 -0.783 1
1 1261 . 16 1 1 A 105 105 ILE CB C 105 39.685 41.938 -2.253 1
1 1274 . 16 1 1 A 105 105 ILE C C 105 176.091 174.760 1.331 1
1 1275 . 16 1 1 A 106 106 GLN N N 106 124.467 125.561 -1.094 1
1 1276 . 16 1 1 A 106 106 GLN H H 106 8.752 9.161 -0.409 1
1 1277 . 16 1 1 A 106 106 GLN CA C 106 56.244 54.204 2.040 1
1 1278 . 16 1 1 A 106 106 GLN HA H 106 4.243 4.993 -0.750 1
1 1279 . 16 1 1 A 106 106 GLN CB C 106 28.717 33.413 -4.696 1
1 1288 . 16 1 1 A 106 106 GLN C C 106 177.593 175.824 1.769 1
1 1289 . 16 1 1 A 107 107 SER N N 107 116.963 118.967 -2.004 1
1 1290 . 16 1 1 A 107 107 SER H H 107 8.623 9.109 -0.486 1
1 1291 . 16 1 1 A 107 107 SER CA C 107 60.530 58.100 2.430 1
1 1292 . 16 1 1 A 107 107 SER HA H 107 4.152 4.600 -0.448 1
1 1293 . 16 1 1 A 107 107 SER CB C 107 63.187 61.038 2.149 1
1 1296 . 16 1 1 A 107 107 SER C C 107 174.222 174.426 -0.204 1
1 1297 . 16 1 1 A 108 108 TYR N N 108 116.323 119.277 -2.954 1
1 1298 . 16 1 1 A 108 108 TYR H H 108 7.330 8.133 -0.803 1
1 1299 . 16 1 1 A 108 108 TYR CA C 108 56.727 58.218 -1.491 1
1 1300 . 16 1 1 A 108 108 TYR HA H 108 4.655 4.806 -0.151 1
1 1301 . 16 1 1 A 108 108 TYR CB C 108 37.491 39.938 -2.447 1
1 1312 . 16 1 1 A 108 108 TYR C C 108 175.768 174.987 0.781 1
1 1313 . 16 1 1 A 109 109 GLU N N 109 120.523 119.298 1.225 1
1 1314 . 16 1 1 A 109 109 GLU H H 109 7.587 6.865 0.722 1
1 1315 . 16 1 1 A 109 109 GLU CA C 109 55.573 54.112 1.461 1
1 1316 . 16 1 1 A 109 109 GLU HA H 109 4.582 4.717 -0.135 1
1 1317 . 16 1 1 A 109 109 GLU CB C 109 31.360 32.911 -1.551 1
1 1323 . 16 1 1 A 109 109 GLU C C 109 176.013 174.358 1.655 1
1 1324 . 16 1 1 A 110 110 ARG N N 110 118.559 125.573 -7.014 1
1 1325 . 16 1 1 A 110 110 ARG H H 110 8.441 8.501 -0.060 1
1 1326 . 16 1 1 A 110 110 ARG CA C 110 55.667 56.639 -0.972 1
1 1327 . 16 1 1 A 110 110 ARG HA H 110 4.786 4.397 0.389 1
1 1328 . 16 1 1 A 110 110 ARG CB C 110 32.404 31.158 1.246 1
1 1339 . 16 1 1 A 110 110 ARG C C 110 174.387 174.792 -0.405 1
1 1340 . 16 1 1 A 111 111 MET N N 111 122.471 123.843 -1.372 1
1 1341 . 16 1 1 A 111 111 MET H H 111 8.665 8.587 0.078 1
1 1342 . 16 1 1 A 111 111 MET CA C 111 54.151 54.345 -0.194 1
1 1343 . 16 1 1 A 111 111 MET HA H 111 5.167 4.763 0.404 1
1 1344 . 16 1 1 A 111 111 MET CB C 111 35.735 35.002 0.733 1
1 1354 . 16 1 1 A 111 111 MET C C 111 174.924 174.464 0.460 1
1 1355 . 16 1 1 A 112 112 GLU N N 112 119.500 124.996 -5.496 1
1 1356 . 16 1 1 A 112 112 GLU H H 112 7.951 8.433 -0.482 1
1 1357 . 16 1 1 A 112 112 GLU CA C 112 53.909 54.487 -0.578 1
1 1358 . 16 1 1 A 112 112 GLU HA H 112 5.662 5.048 0.614 1
1 1359 . 16 1 1 A 112 112 GLU CB C 112 35.198 34.672 0.526 1
1 1365 . 16 1 1 A 112 112 GLU C C 112 174.483 174.793 -0.310 1
1 1366 . 16 1 1 A 113 113 PHE N N 113 115.033 117.498 -2.465 1
1 1367 . 16 1 1 A 113 113 PHE H H 113 9.278 8.747 0.531 1
1 1368 . 16 1 1 A 113 113 PHE CA C 113 55.857 55.924 -0.067 1
1 1369 . 16 1 1 A 113 113 PHE HA H 113 6.262 5.434 0.828 1
1 1370 . 16 1 1 A 113 113 PHE CB C 113 43.656 42.555 1.101 1
1 1383 . 16 1 1 A 113 113 PHE C C 113 172.253 172.670 -0.417 1
1 1384 . 16 1 1 A 114 114 ALA N N 114 121.461 122.002 -0.541 1
1 1385 . 16 1 1 A 114 114 ALA H H 114 9.475 8.968 0.507 1
1 1386 . 16 1 1 A 114 114 ALA CA C 114 50.860 51.150 -0.290 1
1 1387 . 16 1 1 A 114 114 ALA HA H 114 5.026 5.293 -0.267 1
1 1388 . 16 1 1 A 114 114 ALA CB C 114 23.129 23.180 -0.051 1
1 1392 . 16 1 1 A 114 114 ALA C C 114 174.903 176.104 -1.201 1
1 1393 . 16 1 1 A 115 115 VAL N N 115 120.899 122.316 -1.417 1
1 1394 . 16 1 1 A 115 115 VAL H H 115 8.928 8.449 0.479 1
1 1395 . 16 1 1 A 115 115 VAL CA C 115 61.379 62.467 -1.088 1
1 1396 . 16 1 1 A 115 115 VAL HA H 115 4.798 4.467 0.331 1
1 1397 . 16 1 1 A 115 115 VAL CB C 115 34.712 32.229 2.483 1
1 1407 . 16 1 1 A 115 115 VAL C C 115 174.444 174.597 -0.153 1
1 1408 . 16 1 1 A 116 116 TYR N N 116 123.426 128.005 -4.579 1
1 1409 . 16 1 1 A 116 116 TYR H H 116 8.963 8.317 0.646 1
1 1410 . 16 1 1 A 116 116 TYR CA C 116 55.480 54.404 1.076 1
1 1411 . 16 1 1 A 116 116 TYR HA H 116 5.081 4.707 0.374 1
1 1412 . 16 1 1 A 116 116 TYR CB C 116 38.928 39.984 -1.056 1
1 1423 . 16 1 1 A 116 116 TYR C C 116 172.208 172.959 -0.751 1
1 1424 . 16 1 1 A 117 117 TYR N N 117 123.249 130.039 -6.790 1
1 1425 . 16 1 1 A 117 117 TYR H H 117 8.858 8.516 0.342 1
1 1426 . 16 1 1 A 117 117 TYR CA C 117 52.371 56.372 -4.001 1
1 1427 . 16 1 1 A 117 117 TYR HA H 117 5.528 4.759 0.769 1
1 1428 . 16 1 1 A 117 117 TYR CB C 117 41.509 40.446 1.063 1
1 1439 . 16 1 1 A 117 117 TYR C C 117 173.159 173.438 -0.279 1
1 1440 . 16 1 1 A 118 118 GLU N N 118 127.681 127.606 0.075 1
1 1441 . 16 1 1 A 118 118 GLU H H 118 9.368 8.442 0.926 1
1 1442 . 16 1 1 A 118 118 GLU CA C 118 54.179 55.359 -1.180 1
1 1443 . 16 1 1 A 118 118 GLU HA H 118 5.085 4.679 0.406 1
1 1444 . 16 1 1 A 118 118 GLU CB C 118 32.099 30.663 1.436 1
1 1450 . 16 1 1 A 118 118 GLU C C 118 175.565 174.932 0.633 1
1 1451 . 16 1 1 A 119 119 CYS N N 119 122.152 123.444 -1.292 1
1 1452 . 16 1 1 A 119 119 CYS H H 119 8.323 8.232 0.091 1
1 1453 . 16 1 1 A 119 119 CYS CA C 119 58.248 58.127 0.121 1
1 1454 . 16 1 1 A 119 119 CYS HA H 119 4.479 4.549 -0.070 1
1 1455 . 16 1 1 A 119 119 CYS CB C 119 29.065 30.232 -1.167 1
1 1458 . 16 1 1 A 119 119 CYS C C 119 174.586 173.039 1.547 1
1 1459 . 16 1 1 A 120 120 ASN N N 120 126.917 124.780 2.137 1
1 1460 . 16 1 1 A 120 120 ASN H H 120 9.858 9.183 0.675 1
1 1461 . 16 1 1 A 120 120 ASN CA C 120 53.735 54.422 -0.687 1
1 1462 . 16 1 1 A 120 120 ASN HA H 120 4.342 4.382 -0.040 1
1 1463 . 16 1 1 A 120 120 ASN CB C 120 37.873 37.400 0.473 1
1 1469 . 16 1 1 A 120 120 ASN C C 120 174.943 175.410 -0.467 1
1 1470 . 16 1 1 A 121 121 GLY N N 121 104.866 103.694 1.172 1
1 1471 . 16 1 1 A 121 121 GLY H H 121 8.776 8.580 0.196 1
1 1472 . 16 1 1 A 121 121 GLY CA C 121 45.586 46.395 -0.809 1
1 1473 . 16 1 1 A 121 121 GLY HA2 H 121 4.041 3.843 0.198 1
1 1474 . 16 1 1 A 121 121 GLY HA3 H 121 3.553 3.851 -0.298 1
1 1475 . 16 1 1 A 121 121 GLY C C 121 173.804 173.699 0.105 1
1 1476 . 16 1 1 A 122 122 GLN N N 122 119.988 118.643 1.345 1
1 1477 . 16 1 1 A 122 122 GLN H H 122 7.677 7.705 -0.028 1
1 1478 . 16 1 1 A 122 122 GLN CA C 122 53.624 53.472 0.152 1
1 1479 . 16 1 1 A 122 122 GLN HA H 122 4.395 4.781 -0.386 1
1 1480 . 16 1 1 A 122 122 GLN CB C 122 31.456 32.524 -1.068 1
1 1489 . 16 1 1 A 122 122 GLN C C 122 174.029 174.140 -0.111 1
1 1490 . 16 1 1 A 123 123 THR N N 123 116.337 115.584 0.753 1
1 1491 . 16 1 1 A 123 123 THR H H 123 7.990 8.377 -0.387 1
1 1492 . 16 1 1 A 123 123 THR CA C 123 61.935 61.122 0.813 1
1 1493 . 16 1 1 A 123 123 THR HA H 123 4.620 4.794 -0.174 1
1 1494 . 16 1 1 A 123 123 THR CB C 123 70.005 70.997 -0.992 1
1 1500 . 16 1 1 A 123 123 THR C C 123 172.596 172.717 -0.121 1
1 1501 . 16 1 1 A 124 124 TYR N N 124 128.915 125.962 2.953 1
1 1502 . 16 1 1 A 124 124 TYR H H 124 9.416 8.418 0.998 1
1 1503 . 16 1 1 A 124 124 TYR CA C 124 56.388 56.234 0.154 1
1 1504 . 16 1 1 A 124 124 TYR HA H 124 4.962 5.264 -0.302 1
1 1505 . 16 1 1 A 124 124 TYR CB C 124 40.688 40.472 0.216 1
1 1516 . 16 1 1 A 124 124 TYR C C 124 174.284 174.627 -0.343 1
1 1517 . 16 1 1 A 125 125 TRP N N 125 119.850 123.021 -3.171 1
1 1518 . 16 1 1 A 125 125 TRP H H 125 8.738 9.098 -0.360 1
1 1519 . 16 1 1 A 125 125 TRP CA C 125 56.940 55.476 1.464 1
1 1520 . 16 1 1 A 125 125 TRP HA H 125 5.388 5.491 -0.103 1
1 1521 . 16 1 1 A 125 125 TRP CB C 125 33.031 32.156 0.875 1
1 1536 . 16 1 1 A 125 125 TRP C C 125 176.973 174.615 2.358 1
1 1537 . 16 1 1 A 126 126 ASP N N 126 118.759 125.623 -6.864 1
1 1538 . 16 1 1 A 126 126 ASP H H 126 9.436 8.862 0.574 1
1 1539 . 16 1 1 A 126 126 ASP CA C 126 53.968 52.716 1.252 1
1 1540 . 16 1 1 A 126 126 ASP HA H 126 5.213 5.311 -0.098 1
1 1541 . 16 1 1 A 126 126 ASP CB C 126 42.641 42.574 0.067 1
1 1544 . 16 1 1 A 126 126 ASP C C 126 176.043 174.598 1.445 1
1 1545 . 16 1 1 A 127 127 SER N N 127 119.074 120.270 -1.196 1
1 1546 . 16 1 1 A 127 127 SER H H 127 8.520 8.661 -0.141 1
1 1547 . 16 1 1 A 127 127 SER CA C 127 55.118 56.556 -1.438 1
1 1548 . 16 1 1 A 127 127 SER HA H 127 4.811 5.023 -0.212 1
1 1549 . 16 1 1 A 127 127 SER CB C 127 63.866 64.617 -0.751 1
1 1552 . 16 1 1 A 127 127 SER C C 127 175.840 174.071 1.769 1
1 1553 . 16 1 1 A 128 128 ASN N N 128 124.865 120.791 4.074 1
1 1554 . 16 1 1 A 128 128 ASN H H 128 9.242 7.510 1.732 1
1 1555 . 16 1 1 A 128 128 ASN CA C 128 53.224 52.985 0.239 1
1 1556 . 16 1 1 A 128 128 ASN HA H 128 4.071 3.165 0.906 1
1 1557 . 16 1 1 A 128 128 ASN CB C 128 34.281 35.507 -1.226 1
1 1563 . 16 1 1 A 128 128 ASN C C 128 176.607 174.300 2.307 1
1 1564 . 16 1 1 A 129 129 ARG N N 129 114.718 113.235 1.483 1
1 1565 . 16 1 1 A 129 129 ARG H H 129 9.475 8.222 1.253 1
1 1566 . 16 1 1 A 129 129 ARG CA C 129 56.798 56.996 -0.198 1
1 1567 . 16 1 1 A 129 129 ARG HA H 129 3.774 3.873 -0.099 1
1 1568 . 16 1 1 A 129 129 ARG CB C 129 27.145 28.192 -1.047 1
1 1579 . 16 1 1 A 129 129 ARG C C 129 176.132 175.866 0.266 1
1 1580 . 16 1 1 A 130 130 GLY N N 130 106.337 105.359 0.978 1
1 1581 . 16 1 1 A 130 130 GLY H H 130 7.568 8.050 -0.482 1
1 1582 . 16 1 1 A 130 130 GLY CA C 130 44.896 46.033 -1.137 1
1 1583 . 16 1 1 A 130 130 GLY HA2 H 130 4.103 4.063 0.040 1
1 1584 . 16 1 1 A 130 130 GLY HA3 H 130 3.425 4.080 -0.655 1
1 1585 . 16 1 1 A 130 130 GLY C C 130 174.521 173.952 0.569 1
1 1586 . 16 1 1 A 131 131 LYS N N 131 119.902 124.552 -4.650 1
1 1587 . 16 1 1 A 131 131 LYS H H 131 7.278 8.180 -0.902 1
1 1588 . 16 1 1 A 131 131 LYS CA C 131 57.336 57.719 -0.383 1
1 1589 . 16 1 1 A 131 131 LYS HA H 131 4.132 4.232 -0.100 1
1 1590 . 16 1 1 A 131 131 LYS CB C 131 33.719 32.956 0.763 1
1 1602 . 16 1 1 A 131 131 LYS C C 131 177.813 176.340 1.473 1
1 1603 . 16 1 1 A 132 132 ASN N N 132 107.489 111.717 -4.228 1
1 1604 . 16 1 1 A 132 132 ASN H H 132 8.268 7.619 0.649 1
1 1605 . 16 1 1 A 132 132 ASN CA C 132 54.717 52.094 2.623 1
1 1606 . 16 1 1 A 132 132 ASN HA H 132 3.691 4.791 -1.100 1
1 1607 . 16 1 1 A 132 132 ASN CB C 132 39.462 40.941 -1.479 1
1 1613 . 16 1 1 A 132 132 ASN C C 132 172.611 172.954 -0.343 1
1 1614 . 16 1 1 A 133 133 TYR N N 133 120.541 120.904 -0.363 1
1 1615 . 16 1 1 A 133 133 TYR H H 133 8.696 8.389 0.307 1
1 1616 . 16 1 1 A 133 133 TYR CA C 133 58.334 58.892 -0.558 1
1 1617 . 16 1 1 A 133 133 TYR HA H 133 3.879 4.402 -0.523 1
1 1618 . 16 1 1 A 133 133 TYR CB C 133 35.955 37.888 -1.933 1
1 1627 . 16 1 1 A 133 133 TYR C C 133 175.026 175.830 -0.804 1
1 1628 . 16 1 1 A 134 134 ARG N N 134 123.205 123.437 -0.232 1
1 1629 . 16 1 1 A 134 134 ARG H H 134 8.584 8.741 -0.157 1
1 1630 . 16 1 1 A 134 134 ARG CA C 134 56.025 55.852 0.173 1
1 1631 . 16 1 1 A 134 134 ARG HA H 134 5.043 4.672 0.371 1
1 1632 . 16 1 1 A 134 134 ARG CB C 134 32.734 31.214 1.520 1
1 1643 . 16 1 1 A 134 134 ARG C C 134 174.511 175.740 -1.229 1
1 1644 . 16 1 1 A 135 135 ILE N N 135 124.430 124.628 -0.198 1
1 1645 . 16 1 1 A 135 135 ILE H H 135 8.429 8.452 -0.023 1
1 1646 . 16 1 1 A 135 135 ILE CA C 135 61.078 60.077 1.001 1
1 1647 . 16 1 1 A 135 135 ILE HA H 135 4.797 4.762 0.035 1
1 1648 . 16 1 1 A 135 135 ILE CB C 135 39.875 39.905 -0.030 1
1 1661 . 16 1 1 A 135 135 ILE C C 135 175.279 176.112 -0.833 1
1 1662 . 16 1 1 A 136 136 ILE N N 136 120.496 123.699 -3.203 1
1 1663 . 16 1 1 A 136 136 ILE H H 136 9.000 8.708 0.292 1
1 1664 . 16 1 1 A 136 136 ILE CA C 136 59.359 59.177 0.182 1
1 1665 . 16 1 1 A 136 136 ILE HA H 136 5.028 4.988 0.040 1
1 1666 . 16 1 1 A 136 136 ILE CB C 136 42.170 40.344 1.826 1
1 1679 . 16 1 1 A 136 136 ILE C C 136 175.144 175.492 -0.348 1
1 1680 . 16 1 1 A 137 137 ARG N N 137 122.183 123.616 -1.433 1
1 1681 . 16 1 1 A 137 137 ARG H H 137 8.535 8.477 0.058 1
1 1682 . 16 1 1 A 137 137 ARG CA C 137 56.339 55.529 0.810 1
1 1683 . 16 1 1 A 137 137 ARG HA H 137 4.402 4.536 -0.134 1
1 1684 . 16 1 1 A 137 137 ARG CB C 137 30.696 31.887 -1.191 1
1 1695 . 16 1 1 A 137 137 ARG C C 137 176.646 177.547 -0.901 1
1 1696 . 16 1 1 A 138 138 ALA N N 138 126.694 128.007 -1.313 1
1 1697 . 16 1 1 A 138 138 ALA H H 138 8.353 8.649 -0.296 1
1 1698 . 16 1 1 A 138 138 ALA CA C 138 52.808 55.398 -2.590 1
1 1699 . 16 1 1 A 138 138 ALA HA H 138 4.134 3.965 0.169 1
1 1700 . 16 1 1 A 138 138 ALA CB C 138 19.536 17.931 1.605 1
1 1704 . 16 1 1 A 138 138 ALA C C 138 177.637 179.898 -2.261 1
1 1705 . 16 1 1 A 139 139 GLU N N 139 119.890 115.142 4.748 1
1 1706 . 16 1 1 A 139 139 GLU H H 139 8.615 8.504 0.111 1
1 1707 . 16 1 1 A 139 139 GLU CA C 139 56.586 58.875 -2.289 1
1 1708 . 16 1 1 A 139 139 GLU HA H 139 4.268 4.148 0.120 1
1 1709 . 16 1 1 A 139 139 GLU CB C 139 30.137 28.933 1.204 1
1 1715 . 16 1 1 A 139 139 GLU C C 139 176.488 176.579 -0.091 1
1 1716 . 16 1 1 A 140 140 LEU N N 140 123.350 120.182 3.168 1
1 1717 . 16 1 1 A 140 140 LEU H H 140 8.224 7.508 0.716 1
1 1718 . 16 1 1 A 140 140 LEU CA C 140 55.185 53.354 1.831 1
1 1719 . 16 1 1 A 140 140 LEU HA H 140 4.339 4.820 -0.481 1
1 1720 . 16 1 1 A 140 140 LEU CB C 140 42.294 44.626 -2.332 1
1 1733 . 16 1 1 A 140 140 LEU C C 140 177.456 176.062 1.394 1
1 1734 . 16 1 1 A 141 141 LYS N N 141 122.155 123.529 -1.374 1
1 1735 . 16 1 1 A 141 141 LYS H H 141 8.239 8.439 -0.200 1
1 1736 . 16 1 1 A 141 141 LYS CA C 141 56.480 56.001 0.479 1
1 1737 . 16 1 1 A 141 141 LYS HA H 141 4.309 4.661 -0.352 1
1 1738 . 16 1 1 A 141 141 LYS CB C 141 32.976 36.490 -3.514 1
1 1750 . 16 1 1 A 141 141 LYS C C 141 176.734 174.269 2.465 1
1 1751 . 16 1 1 A 142 142 SER N N 142 116.816 121.265 -4.449 1
1 1752 . 16 1 1 A 142 142 SER H H 142 8.369 8.740 -0.371 1
1 1753 . 16 1 1 A 142 142 SER CA C 142 58.425 57.732 0.693 1
1 1754 . 16 1 1 A 142 142 SER HA H 142 4.529 4.803 -0.274 1
1 1755 . 16 1 1 A 142 142 SER CB C 142 63.836 63.965 -0.129 1
1 1758 . 16 1 1 A 142 142 SER C C 142 175.185 173.645 1.540 1
1 1759 . 16 1 1 A 143 143 THR N N 143 115.566 120.737 -5.171 1
1 1760 . 16 1 1 A 143 143 THR H H 143 8.235 8.622 -0.387 1
1 1761 . 16 1 1 A 143 143 THR CA C 143 61.999 59.905 2.094 1
1 1762 . 16 1 1 A 143 143 THR HA H 143 4.389 5.011 -0.622 1
1 1763 . 16 1 1 A 143 143 THR CB C 143 69.634 71.355 -1.721 1
1 1769 . 16 1 1 A 143 143 THR C C 143 174.937 171.806 3.131 1
1 1770 . 16 1 1 A 144 144 GLN N N 144 122.469 122.830 -0.361 1
1 1771 . 16 1 1 A 144 144 GLN H H 144 8.345 8.705 -0.360 1
1 1772 . 16 1 1 A 144 144 GLN CA C 144 56.480 54.565 1.915 1
1 1773 . 16 1 1 A 144 144 GLN HA H 144 4.307 5.051 -0.744 1
1 1774 . 16 1 1 A 144 144 GLN CB C 144 29.307 32.800 -3.493 1
1 1783 . 16 1 1 A 144 144 GLN C C 144 176.536 174.742 1.794 1
1 1784 . 16 1 1 A 145 145 GLY N N 145 110.021 107.126 2.895 1
1 1785 . 16 1 1 A 145 145 GLY H H 145 8.461 8.625 -0.164 1
1 1786 . 16 1 1 A 145 145 GLY CA C 145 45.355 45.957 -0.602 1
1 1787 . 16 1 1 A 145 145 GLY HA2 H 145 3.967 4.192 -0.225 1
1 1788 . 16 1 1 A 145 145 GLY HA3 H 145 3.967 4.194 -0.227 1
1 1789 . 16 1 1 A 145 145 GLY C C 145 174.123 173.239 0.884 1
1 1790 . 16 1 1 A 146 146 MET N N 146 119.836 119.277 0.559 1
1 1791 . 16 1 1 A 146 146 MET H H 146 8.197 7.767 0.430 1
1 1792 . 16 1 1 A 146 146 MET CA C 146 55.594 53.922 1.672 1
1 1793 . 16 1 1 A 146 146 MET HA H 146 4.538 4.945 -0.407 1
1 1794 . 16 1 1 A 146 146 MET CB C 146 33.090 34.268 -1.178 1
1 1804 . 16 1 1 A 146 146 MET C C 146 176.454 175.462 0.992 1
1 1805 . 16 1 1 A 147 147 THR N N 147 116.248 115.553 0.695 1
1 1806 . 16 1 1 A 147 147 THR H H 147 8.239 8.505 -0.266 1
1 1807 . 16 1 1 A 147 147 THR CA C 147 61.959 62.762 -0.803 1
1 1808 . 16 1 1 A 147 147 THR HA H 147 4.318 4.280 0.038 1
1 1809 . 16 1 1 A 147 147 THR CB C 147 69.875 69.117 0.758 1
1 1815 . 16 1 1 A 147 147 THR C C 147 174.141 174.396 -0.255 1
1 1816 . 16 1 1 A 148 148 LYS N N 148 125.399 124.121 1.278 1
1 1817 . 16 1 1 A 148 148 LYS H H 148 8.387 8.323 0.064 1
1 1818 . 16 1 1 A 148 148 LYS CA C 148 54.186 55.020 -0.834 1
1 1819 . 16 1 1 A 148 148 LYS HA H 148 4.617 4.404 0.213 1
1 1820 . 16 1 1 A 148 148 LYS CB C 148 32.651 32.608 0.043 1
1 1832 . 16 1 1 A 148 148 LYS C C 148 174.388 175.436 -1.048 1
1 1833 . 16 1 1 A 149 149 PRO CA C 149 63.178 62.900 0.278 1
1 1834 . 16 1 1 A 149 149 PRO HA H 149 4.406 4.732 -0.326 1
1 1835 . 16 1 1 A 149 149 PRO CB C 149 32.164 31.535 0.629 1
1 1844 . 16 1 1 A 150 150 HIS CA C 150 56.264 55.284 0.980 1
1 1845 . 16 1 1 A 150 150 HIS HA H 150 4.626 4.651 -0.025 1
1 1846 . 16 1 1 A 150 150 HIS CB C 150 30.574 29.412 1.162 1
1 1852 . 16 1 1 A 151 151 SER CA C 151 58.018 56.309 1.709 1
1 1853 . 16 1 1 A 151 151 SER HA H 151 4.475 5.051 -0.576 1
1 1854 . 16 1 1 A 151 151 SER CB C 151 64.139 65.718 -1.579 1
1 1856 . 16 1 1 A 151 151 SER C C 151 174.253 173.296 0.957 1
1 1857 . 16 1 1 A 152 152 GLY N N 152 110.964 111.296 -0.332 1
1 1858 . 16 1 1 A 152 152 GLY H H 152 8.276 8.416 -0.140 1
1 1859 . 16 1 1 A 152 152 GLY CA C 152 44.637 45.232 -0.595 1
1 1860 . 16 1 1 A 152 152 GLY HA2 H 152 4.120 4.275 -0.155 1
1 1861 . 16 1 1 A 152 152 GLY HA3 H 152 4.120 4.297 -0.177 1
1 1862 . 16 1 1 A 152 152 GLY C C 152 171.668 171.988 -0.320 1
1 1863 . 16 1 1 A 153 153 PRO CA C 153 63.147 62.655 0.492 1
1 1864 . 16 1 1 A 153 153 PRO HA H 153 4.425 4.659 -0.234 1
1 1865 . 16 1 1 A 153 153 PRO CB C 153 32.149 33.076 -0.927 1
1 1874 . 16 1 1 A 153 153 PRO C C 153 176.656 175.995 0.661 1
1 1875 . 16 1 1 A 154 154 ASP N N 154 120.420 117.596 2.824 1
1 1876 . 16 1 1 A 154 154 ASP H H 154 8.463 8.486 -0.023 1
1 1877 . 16 1 1 A 154 154 ASP CA C 154 54.429 51.965 2.464 1
1 1878 . 16 1 1 A 154 154 ASP HA H 154 4.575 5.381 -0.806 1
1 1879 . 16 1 1 A 154 154 ASP CB C 154 40.979 43.360 -2.381 1
1 1882 . 16 1 1 A 154 154 ASP C C 154 176.163 175.502 0.661 1
1 1883 . 16 1 1 A 155 155 LEU N N 155 123.563 119.800 3.763 1
1 1884 . 16 1 1 A 155 155 LEU H H 155 8.266 8.365 -0.099 1
1 1885 . 16 1 1 A 155 155 LEU CA C 155 55.022 56.054 -1.032 1
1 1886 . 16 1 1 A 155 155 LEU HA H 155 4.358 4.229 0.129 1
1 1887 . 16 1 1 A 155 155 LEU CB C 155 42.157 42.465 -0.308 1
1 1900 . 16 1 1 A 155 155 LEU C C 155 176.990 177.914 -0.924 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.655 57.148 1.507 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.501 4.943 -0.442 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.644 65.106 -1.462 1
1 6 . 17 1 1 A 6 6 SER C C 6 175.063 174.793 0.270 1
1 7 . 17 1 1 A 7 7 GLY N N 7 111.113 107.884 3.229 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.473 8.579 -0.106 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.373 44.843 0.530 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 3.967 4.240 -0.273 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 3.967 4.242 -0.275 1
1 12 . 17 1 1 A 7 7 GLY C C 7 173.934 172.158 1.776 1
1 13 . 17 1 1 A 8 8 ALA N N 8 123.788 125.751 -1.963 1
1 14 . 17 1 1 A 8 8 ALA H H 8 8.197 8.793 -0.596 1
1 15 . 17 1 1 A 8 8 ALA CA C 8 52.548 51.151 1.397 1
1 16 . 17 1 1 A 8 8 ALA HA H 8 4.342 4.838 -0.496 1
1 17 . 17 1 1 A 8 8 ALA CB C 8 19.403 23.380 -3.977 1
1 21 . 17 1 1 A 8 8 ALA C C 8 177.902 175.900 2.002 1
1 22 . 17 1 1 A 9 9 GLU N N 9 120.004 119.052 0.952 1
1 23 . 17 1 1 A 9 9 GLU H H 9 8.524 8.585 -0.061 1
1 24 . 17 1 1 A 9 9 GLU CA C 9 56.763 55.344 1.419 1
1 25 . 17 1 1 A 9 9 GLU HA H 9 4.308 4.723 -0.415 1
1 26 . 17 1 1 A 9 9 GLU CB C 9 30.161 29.145 1.016 1
1 32 . 17 1 1 A 9 9 GLU C C 9 176.646 176.726 -0.080 1
1 33 . 17 1 1 A 10 10 SER N N 10 116.268 116.927 -0.659 1
1 34 . 17 1 1 A 10 10 SER H H 10 8.305 7.636 0.669 1
1 35 . 17 1 1 A 10 10 SER CA C 10 58.426 58.425 0.001 1
1 36 . 17 1 1 A 10 10 SER HA H 10 4.429 4.536 -0.107 1
1 37 . 17 1 1 A 10 10 SER CB C 10 63.933 64.633 -0.700 1
1 40 . 17 1 1 A 10 10 SER C C 10 174.267 173.950 0.317 1
1 41 . 17 1 1 A 11 11 GLU N N 11 122.435 120.839 1.596 1
1 42 . 17 1 1 A 11 11 GLU H H 11 8.368 8.454 -0.086 1
1 43 . 17 1 1 A 11 11 GLU CA C 11 56.233 54.573 1.660 1
1 44 . 17 1 1 A 11 11 GLU HA H 11 4.367 4.635 -0.268 1
1 45 . 17 1 1 A 11 11 GLU CB C 11 30.692 31.486 -0.794 1
1 51 . 17 1 1 A 11 11 GLU C C 11 175.800 176.157 -0.357 1
1 52 . 17 1 1 A 12 12 SER N N 12 116.596 116.792 -0.196 1
1 53 . 17 1 1 A 12 12 SER H H 12 8.299 8.611 -0.312 1
1 54 . 17 1 1 A 12 12 SER CA C 12 58.355 58.373 -0.018 1
1 55 . 17 1 1 A 12 12 SER HA H 12 4.457 4.507 -0.050 1
1 56 . 17 1 1 A 12 12 SER CB C 12 64.573 64.445 0.128 1
1 59 . 17 1 1 A 12 12 SER C C 12 173.309 174.258 -0.949 1
1 60 . 17 1 1 A 13 13 PHE N N 13 121.293 119.622 1.671 1
1 61 . 17 1 1 A 13 13 PHE H H 13 8.346 9.161 -0.815 1
1 62 . 17 1 1 A 13 13 PHE CA C 13 56.851 56.205 0.646 1
1 63 . 17 1 1 A 13 13 PHE HA H 13 5.384 5.316 0.068 1
1 64 . 17 1 1 A 13 13 PHE CB C 13 42.542 43.966 -1.424 1
1 77 . 17 1 1 A 13 13 PHE C C 13 174.500 174.643 -0.143 1
1 78 . 17 1 1 A 14 14 VAL N N 14 116.020 116.055 -0.035 1
1 79 . 17 1 1 A 14 14 VAL H H 14 9.313 9.043 0.270 1
1 80 . 17 1 1 A 14 14 VAL CA C 14 60.141 59.389 0.752 1
1 81 . 17 1 1 A 14 14 VAL HA H 14 4.455 4.933 -0.478 1
1 82 . 17 1 1 A 14 14 VAL CB C 14 36.318 36.236 0.082 1
1 92 . 17 1 1 A 14 14 VAL C C 14 174.668 174.626 0.042 1
1 93 . 17 1 1 A 15 15 LEU N N 15 121.725 121.540 0.185 1
1 94 . 17 1 1 A 15 15 LEU H H 15 8.476 8.627 -0.151 1
1 95 . 17 1 1 A 15 15 LEU CA C 15 54.800 52.841 1.959 1
1 96 . 17 1 1 A 15 15 LEU HA H 15 4.403 4.944 -0.541 1
1 97 . 17 1 1 A 15 15 LEU CB C 15 39.816 43.117 -3.301 1
1 110 . 17 1 1 A 15 15 LEU C C 15 177.001 176.202 0.799 1
1 111 . 17 1 1 A 16 16 ASP N N 16 126.576 125.334 1.242 1
1 112 . 17 1 1 A 16 16 ASP H H 16 8.766 8.613 0.153 1
1 113 . 17 1 1 A 16 16 ASP CA C 16 52.828 53.378 -0.550 1
1 114 . 17 1 1 A 16 16 ASP HA H 16 5.081 4.810 0.271 1
1 115 . 17 1 1 A 16 16 ASP CB C 16 42.268 40.758 1.510 1
1 118 . 17 1 1 A 16 16 ASP C C 16 174.640 175.560 -0.920 1
1 119 . 17 1 1 A 17 17 PHE N N 17 112.958 116.988 -4.030 1
1 120 . 17 1 1 A 17 17 PHE H H 17 6.915 7.085 -0.170 1
1 121 . 17 1 1 A 17 17 PHE CA C 17 55.489 56.202 -0.713 1
1 122 . 17 1 1 A 17 17 PHE HA H 17 4.938 5.141 -0.203 1
1 123 . 17 1 1 A 17 17 PHE CB C 17 39.154 41.568 -2.414 1
1 136 . 17 1 1 A 17 17 PHE C C 17 173.746 172.791 0.955 1
1 137 . 17 1 1 A 18 18 SER N N 18 114.977 116.961 -1.984 1
1 138 . 17 1 1 A 18 18 SER H H 18 8.569 8.986 -0.417 1
1 139 . 17 1 1 A 18 18 SER CA C 18 57.046 58.140 -1.094 1
1 140 . 17 1 1 A 18 18 SER HA H 18 4.670 4.703 -0.033 1
1 141 . 17 1 1 A 18 18 SER CB C 18 63.974 64.092 -0.118 1
1 144 . 17 1 1 A 18 18 SER C C 18 175.437 174.994 0.443 1
1 145 . 17 1 1 A 19 19 GLN N N 19 123.586 123.287 0.299 1
1 146 . 17 1 1 A 19 19 GLN H H 19 9.033 8.690 0.343 1
1 147 . 17 1 1 A 19 19 GLN CA C 19 54.023 54.781 -0.758 1
1 148 . 17 1 1 A 19 19 GLN HA H 19 4.558 4.512 0.046 1
1 149 . 17 1 1 A 19 19 GLN CB C 19 27.994 28.577 -0.583 1
1 158 . 17 1 1 A 19 19 GLN C C 19 177.642 176.330 1.312 1
1 159 . 17 1 1 A 20 20 PRO CA C 20 65.836 65.308 0.528 1
1 160 . 17 1 1 A 20 20 PRO HA H 20 4.370 4.507 -0.137 1
1 161 . 17 1 1 A 20 20 PRO CB C 20 32.556 32.228 0.328 1
1 170 . 17 1 1 A 20 20 PRO C C 20 178.374 178.477 -0.103 1
1 171 . 17 1 1 A 21 21 SER N N 21 104.386 112.363 -7.977 1
1 172 . 17 1 1 A 21 21 SER H H 21 7.216 7.932 -0.716 1
1 173 . 17 1 1 A 21 21 SER CA C 21 58.886 61.171 -2.285 1
1 174 . 17 1 1 A 21 21 SER HA H 21 3.271 3.738 -0.467 1
1 175 . 17 1 1 A 21 21 SER CB C 21 62.401 62.235 0.166 1
1 178 . 17 1 1 A 21 21 SER C C 21 174.423 176.743 -2.320 1
1 179 . 17 1 1 A 22 22 ALA N N 22 123.008 123.092 -0.084 1
1 180 . 17 1 1 A 22 22 ALA H H 22 7.700 7.960 -0.260 1
1 181 . 17 1 1 A 22 22 ALA CA C 22 53.968 55.560 -1.592 1
1 182 . 17 1 1 A 22 22 ALA HA H 22 4.198 4.078 0.120 1
1 183 . 17 1 1 A 22 22 ALA CB C 22 18.504 19.065 -0.561 1
1 187 . 17 1 1 A 22 22 ALA C C 22 177.624 177.750 -0.126 1
1 188 . 17 1 1 A 23 23 ASP N N 23 117.789 117.815 -0.026 1
1 189 . 17 1 1 A 23 23 ASP H H 23 7.080 7.862 -0.782 1
1 190 . 17 1 1 A 23 23 ASP CA C 23 52.151 53.040 -0.889 1
1 191 . 17 1 1 A 23 23 ASP HA H 23 4.893 4.933 -0.040 1
1 192 . 17 1 1 A 23 23 ASP CB C 23 40.592 40.852 -0.260 1
1 195 . 17 1 1 A 23 23 ASP C C 23 175.032 175.878 -0.846 1
1 196 . 17 1 1 A 24 24 TYR N N 24 123.295 126.405 -3.110 1
1 197 . 17 1 1 A 24 24 TYR H H 24 8.217 8.985 -0.768 1
1 198 . 17 1 1 A 24 24 TYR CA C 24 61.711 61.711 0.000 1
1 199 . 17 1 1 A 24 24 TYR HA H 24 4.196 4.053 0.143 1
1 200 . 17 1 1 A 24 24 TYR CB C 24 38.456 39.047 -0.591 1
1 211 . 17 1 1 A 24 24 TYR C C 24 177.434 177.325 0.109 1
1 212 . 17 1 1 A 25 25 LEU N N 25 119.429 121.129 -1.700 1
1 213 . 17 1 1 A 25 25 LEU H H 25 8.074 8.360 -0.286 1
1 214 . 17 1 1 A 25 25 LEU CA C 25 57.691 58.500 -0.809 1
1 215 . 17 1 1 A 25 25 LEU HA H 25 3.967 4.021 -0.054 1
1 216 . 17 1 1 A 25 25 LEU CB C 25 41.388 41.714 -0.326 1
1 229 . 17 1 1 A 25 25 LEU C C 25 178.768 178.516 0.252 1
1 230 . 17 1 1 A 26 26 ASP N N 26 119.881 118.832 1.049 1
1 231 . 17 1 1 A 26 26 ASP H H 26 7.561 8.328 -0.767 1
1 232 . 17 1 1 A 26 26 ASP CA C 26 57.625 56.809 0.816 1
1 233 . 17 1 1 A 26 26 ASP HA H 26 4.367 4.359 0.008 1
1 234 . 17 1 1 A 26 26 ASP CB C 26 42.955 41.346 1.609 1
1 237 . 17 1 1 A 26 26 ASP C C 26 177.657 178.524 -0.867 1
1 238 . 17 1 1 A 27 27 PHE N N 27 118.946 120.263 -1.317 1
1 239 . 17 1 1 A 27 27 PHE H H 27 8.750 8.285 0.465 1
1 240 . 17 1 1 A 27 27 PHE CA C 27 61.323 61.157 0.166 1
1 241 . 17 1 1 A 27 27 PHE HA H 27 4.088 4.135 -0.047 1
1 242 . 17 1 1 A 27 27 PHE CB C 27 39.606 39.549 0.057 1
1 255 . 17 1 1 A 27 27 PHE C C 27 176.662 177.162 -0.500 1
1 256 . 17 1 1 A 28 28 ARG N N 28 116.744 118.852 -2.108 1
1 257 . 17 1 1 A 28 28 ARG H H 28 8.079 8.682 -0.603 1
1 258 . 17 1 1 A 28 28 ARG CA C 28 59.051 58.850 0.201 1
1 259 . 17 1 1 A 28 28 ARG HA H 28 3.590 4.014 -0.424 1
1 260 . 17 1 1 A 28 28 ARG CB C 28 29.516 30.038 -0.522 1
1 269 . 17 1 1 A 28 28 ARG C C 28 179.306 178.252 1.054 1
1 270 . 17 1 1 A 29 29 ASN N N 29 119.381 117.730 1.651 1
1 271 . 17 1 1 A 29 29 ASN H H 29 8.106 8.508 -0.402 1
1 272 . 17 1 1 A 29 29 ASN CA C 29 55.861 55.639 0.222 1
1 273 . 17 1 1 A 29 29 ASN HA H 29 4.361 4.488 -0.127 1
1 274 . 17 1 1 A 29 29 ASN CB C 29 37.622 37.847 -0.225 1
1 280 . 17 1 1 A 29 29 ASN C C 29 178.555 178.355 0.200 1
1 281 . 17 1 1 A 30 30 ARG N N 30 123.244 120.044 3.200 1
1 282 . 17 1 1 A 30 30 ARG H H 30 8.640 7.664 0.976 1
1 283 . 17 1 1 A 30 30 ARG CA C 30 59.708 58.640 1.068 1
1 284 . 17 1 1 A 30 30 ARG HA H 30 3.912 4.004 -0.092 1
1 285 . 17 1 1 A 30 30 ARG CB C 30 30.910 29.851 1.059 1
1 296 . 17 1 1 A 30 30 ARG C C 30 178.651 178.659 -0.008 1
1 297 . 17 1 1 A 31 31 LEU N N 31 119.911 121.324 -1.413 1
1 298 . 17 1 1 A 31 31 LEU H H 31 7.988 7.620 0.368 1
1 299 . 17 1 1 A 31 31 LEU CA C 31 58.049 56.458 1.591 1
1 300 . 17 1 1 A 31 31 LEU HA H 31 3.409 3.921 -0.512 1
1 301 . 17 1 1 A 31 31 LEU CB C 31 41.342 41.435 -0.093 1
1 314 . 17 1 1 A 31 31 LEU C C 31 178.698 177.907 0.791 1
1 315 . 17 1 1 A 32 32 GLN N N 32 114.904 118.133 -3.229 1
1 316 . 17 1 1 A 32 32 GLN H H 32 7.416 7.584 -0.168 1
1 317 . 17 1 1 A 32 32 GLN CA C 32 58.019 57.095 0.924 1
1 318 . 17 1 1 A 32 32 GLN HA H 32 3.891 4.240 -0.349 1
1 319 . 17 1 1 A 32 32 GLN CB C 32 28.679 29.327 -0.648 1
1 328 . 17 1 1 A 32 32 GLN C C 32 176.457 176.918 -0.461 1
1 329 . 17 1 1 A 33 33 ALA N N 33 119.088 120.695 -1.607 1
1 330 . 17 1 1 A 33 33 ALA H H 33 7.791 7.392 0.399 1
1 331 . 17 1 1 A 33 33 ALA CA C 33 54.057 52.846 1.211 1
1 332 . 17 1 1 A 33 33 ALA HA H 33 4.099 4.139 -0.040 1
1 333 . 17 1 1 A 33 33 ALA CB C 33 19.921 19.244 0.677 1
1 337 . 17 1 1 A 33 33 ALA C C 33 178.303 177.182 1.121 1
1 338 . 17 1 1 A 34 34 ASP N N 34 115.377 117.525 -2.148 1
1 339 . 17 1 1 A 34 34 ASP H H 34 8.662 7.932 0.730 1
1 340 . 17 1 1 A 34 34 ASP CA C 34 55.153 53.063 2.090 1
1 341 . 17 1 1 A 34 34 ASP HA H 34 4.698 4.726 -0.028 1
1 342 . 17 1 1 A 34 34 ASP CB C 34 41.976 41.189 0.787 1
1 345 . 17 1 1 A 34 34 ASP C C 34 177.531 175.482 2.049 1
1 346 . 17 1 1 A 35 35 HIS N N 35 108.110 116.090 -7.980 1
1 347 . 17 1 1 A 35 35 HIS H H 35 7.018 7.624 -0.606 1
1 348 . 17 1 1 A 35 35 HIS CA C 35 58.336 56.687 1.649 1
1 349 . 17 1 1 A 35 35 HIS HA H 35 4.543 4.288 0.255 1
1 350 . 17 1 1 A 35 35 HIS CB C 35 26.472 26.603 -0.131 1
1 357 . 17 1 1 A 35 35 HIS C C 35 171.507 173.291 -1.784 1
1 358 . 17 1 1 A 36 36 VAL N N 36 115.529 116.597 -1.068 1
1 359 . 17 1 1 A 36 36 VAL H H 36 7.065 7.408 -0.343 1
1 360 . 17 1 1 A 36 36 VAL CA C 36 58.549 60.623 -2.074 1
1 361 . 17 1 1 A 36 36 VAL HA H 36 4.867 4.265 0.602 1
1 362 . 17 1 1 A 36 36 VAL CB C 36 33.135 34.168 -1.033 1
1 372 . 17 1 1 A 36 36 VAL C C 36 171.953 173.671 -1.718 1
1 373 . 17 1 1 A 37 37 CYS N N 37 124.685 124.636 0.049 1
1 374 . 17 1 1 A 37 37 CYS H H 37 8.694 8.094 0.600 1
1 375 . 17 1 1 A 37 37 CYS CA C 37 59.979 58.412 1.567 1
1 376 . 17 1 1 A 37 37 CYS HA H 37 4.594 4.972 -0.378 1
1 377 . 17 1 1 A 37 37 CYS CB C 37 29.016 31.049 -2.033 1
1 380 . 17 1 1 A 37 37 CYS C C 37 173.445 172.937 0.508 1
1 381 . 17 1 1 A 38 38 LEU N N 38 132.291 127.159 5.132 1
1 382 . 17 1 1 A 38 38 LEU H H 38 9.625 8.864 0.761 1
1 383 . 17 1 1 A 38 38 LEU CA C 38 57.958 55.194 2.764 1
1 384 . 17 1 1 A 38 38 LEU HA H 38 4.167 4.797 -0.630 1
1 385 . 17 1 1 A 38 38 LEU CB C 38 42.189 42.694 -0.505 1
1 398 . 17 1 1 A 38 38 LEU C C 38 173.188 177.128 -3.940 1
1 399 . 17 1 1 A 39 39 GLU N N 39 127.988 128.148 -0.160 1
1 400 . 17 1 1 A 39 39 GLU H H 39 9.267 9.128 0.139 1
1 401 . 17 1 1 A 39 39 GLU CA C 39 57.435 58.760 -1.325 1
1 402 . 17 1 1 A 39 39 GLU HA H 39 4.521 4.193 0.328 1
1 403 . 17 1 1 A 39 39 GLU CB C 39 31.891 30.290 1.601 1
1 409 . 17 1 1 A 39 39 GLU C C 39 175.300 176.416 -1.116 1
1 410 . 17 1 1 A 40 40 ASN N N 40 115.109 113.095 2.014 1
1 411 . 17 1 1 A 40 40 ASN H H 40 7.757 7.730 0.027 1
1 412 . 17 1 1 A 40 40 ASN CA C 40 52.151 51.743 0.408 1
1 413 . 17 1 1 A 40 40 ASN HA H 40 5.353 5.293 0.060 1
1 414 . 17 1 1 A 40 40 ASN CB C 40 43.324 41.821 1.503 1
1 420 . 17 1 1 A 40 40 ASN C C 40 173.918 173.232 0.686 1
1 421 . 17 1 1 A 41 41 CYS N N 41 120.861 120.546 0.315 1
1 422 . 17 1 1 A 41 41 CYS H H 41 9.646 8.961 0.685 1
1 423 . 17 1 1 A 41 41 CYS CA C 41 58.934 57.347 1.587 1
1 424 . 17 1 1 A 41 41 CYS HA H 41 5.167 5.128 0.039 1
1 425 . 17 1 1 A 41 41 CYS CB C 41 30.293 29.022 1.271 1
1 428 . 17 1 1 A 41 41 CYS C C 41 171.600 173.973 -2.373 1
1 429 . 17 1 1 A 42 42 VAL N N 42 126.721 124.026 2.695 1
1 430 . 17 1 1 A 42 42 VAL H H 42 9.532 8.567 0.965 1
1 431 . 17 1 1 A 42 42 VAL CA C 42 60.463 60.416 0.047 1
1 432 . 17 1 1 A 42 42 VAL HA H 42 4.454 4.662 -0.208 1
1 433 . 17 1 1 A 42 42 VAL CB C 42 35.496 33.273 2.223 1
1 443 . 17 1 1 A 42 42 VAL C C 42 173.645 174.320 -0.675 1
1 444 . 17 1 1 A 43 43 LEU N N 43 127.183 123.986 3.197 1
1 445 . 17 1 1 A 43 43 LEU H H 43 8.597 8.821 -0.224 1
1 446 . 17 1 1 A 43 43 LEU CA C 43 54.209 53.510 0.699 1
1 447 . 17 1 1 A 43 43 LEU HA H 43 5.050 5.289 -0.239 1
1 448 . 17 1 1 A 43 43 LEU CB C 43 43.450 46.443 -2.993 1
1 461 . 17 1 1 A 43 43 LEU C C 43 176.151 174.829 1.322 1
1 462 . 17 1 1 A 44 44 LYS N N 44 127.086 124.447 2.639 1
1 463 . 17 1 1 A 44 44 LYS H H 44 8.726 9.087 -0.361 1
1 464 . 17 1 1 A 44 44 LYS CA C 44 55.033 54.180 0.853 1
1 465 . 17 1 1 A 44 44 LYS HA H 44 4.552 4.868 -0.316 1
1 466 . 17 1 1 A 44 44 LYS CB C 44 34.147 36.253 -2.106 1
1 478 . 17 1 1 A 44 44 LYS C C 44 175.176 175.648 -0.472 1
1 479 . 17 1 1 A 45 45 ASP N N 45 123.045 121.229 1.816 1
1 480 . 17 1 1 A 45 45 ASP H H 45 8.876 8.610 0.266 1
1 481 . 17 1 1 A 45 45 ASP CA C 45 56.515 54.932 1.583 1
1 482 . 17 1 1 A 45 45 ASP HA H 45 4.321 4.561 -0.240 1
1 483 . 17 1 1 A 45 45 ASP CB C 45 39.782 40.300 -0.518 1
1 486 . 17 1 1 A 45 45 ASP C C 45 175.339 176.041 -0.702 1
1 487 . 17 1 1 A 46 46 LYS N N 46 118.201 118.055 0.146 1
1 488 . 17 1 1 A 46 46 LYS H H 46 8.620 9.080 -0.460 1
1 489 . 17 1 1 A 46 46 LYS CA C 46 56.158 57.204 -1.046 1
1 490 . 17 1 1 A 46 46 LYS HA H 46 4.079 3.781 0.298 1
1 491 . 17 1 1 A 46 46 LYS CB C 46 30.929 29.991 0.938 1
1 503 . 17 1 1 A 46 46 LYS C C 46 174.615 175.053 -0.438 1
1 504 . 17 1 1 A 47 47 ALA N N 47 121.283 117.764 3.519 1
1 505 . 17 1 1 A 47 47 ALA H H 47 7.611 7.093 0.518 1
1 506 . 17 1 1 A 47 47 ALA CA C 47 51.809 51.498 0.311 1
1 507 . 17 1 1 A 47 47 ALA HA H 47 5.105 4.762 0.343 1
1 508 . 17 1 1 A 47 47 ALA CB C 47 22.739 23.037 -0.298 1
1 512 . 17 1 1 A 47 47 ALA C C 47 175.508 175.118 0.390 1
1 513 . 17 1 1 A 48 48 ILE N N 48 114.639 115.113 -0.474 1
1 514 . 17 1 1 A 48 48 ILE H H 48 8.819 8.712 0.107 1
1 515 . 17 1 1 A 48 48 ILE CA C 48 59.017 58.978 0.039 1
1 516 . 17 1 1 A 48 48 ILE HA H 48 5.230 5.142 0.088 1
1 517 . 17 1 1 A 48 48 ILE CB C 48 41.811 42.435 -0.624 1
1 530 . 17 1 1 A 48 48 ILE C C 48 172.954 174.436 -1.482 1
1 531 . 17 1 1 A 49 49 ALA N N 49 126.155 122.598 3.557 1
1 532 . 17 1 1 A 49 49 ALA H H 49 8.652 8.502 0.150 1
1 533 . 17 1 1 A 49 49 ALA CA C 49 50.095 50.971 -0.876 1
1 534 . 17 1 1 A 49 49 ALA HA H 49 4.769 5.038 -0.269 1
1 535 . 17 1 1 A 49 49 ALA CB C 49 22.651 23.117 -0.466 1
1 539 . 17 1 1 A 49 49 ALA C C 49 175.812 175.858 -0.046 1
1 540 . 17 1 1 A 50 50 GLY N N 50 105.980 105.448 0.532 1
1 541 . 17 1 1 A 50 50 GLY H H 50 6.754 7.134 -0.380 1
1 542 . 17 1 1 A 50 50 GLY CA C 50 46.134 44.901 1.233 1
1 543 . 17 1 1 A 50 50 GLY HA2 H 50 3.803 3.688 0.115 1
1 544 . 17 1 1 A 50 50 GLY HA3 H 50 4.077 3.965 0.112 1
1 545 . 17 1 1 A 50 50 GLY C C 50 172.510 172.077 0.433 1
1 546 . 17 1 1 A 51 51 THR N N 51 108.648 110.848 -2.200 1
1 547 . 17 1 1 A 51 51 THR H H 51 8.556 8.691 -0.135 1
1 548 . 17 1 1 A 51 51 THR CA C 51 59.116 59.644 -0.528 1
1 549 . 17 1 1 A 51 51 THR HA H 51 5.588 5.603 -0.015 1
1 550 . 17 1 1 A 51 51 THR CB C 51 72.737 71.387 1.350 1
1 556 . 17 1 1 A 51 51 THR C C 51 174.087 173.628 0.459 1
1 557 . 17 1 1 A 52 52 VAL N N 52 122.025 125.213 -3.188 1
1 558 . 17 1 1 A 52 52 VAL H H 52 9.746 9.289 0.457 1
1 559 . 17 1 1 A 52 52 VAL CA C 52 61.371 61.120 0.251 1
1 560 . 17 1 1 A 52 52 VAL HA H 52 4.463 4.751 -0.288 1
1 561 . 17 1 1 A 52 52 VAL CB C 52 36.986 33.997 2.989 1
1 571 . 17 1 1 A 52 52 VAL C C 52 174.687 175.248 -0.561 1
1 572 . 17 1 1 A 53 53 LYS N N 53 125.115 126.729 -1.614 1
1 573 . 17 1 1 A 53 53 LYS H H 53 8.567 8.987 -0.420 1
1 574 . 17 1 1 A 53 53 LYS CA C 53 53.668 55.105 -1.437 1
1 575 . 17 1 1 A 53 53 LYS HA H 53 5.599 5.143 0.456 1
1 576 . 17 1 1 A 53 53 LYS CB C 53 37.855 35.116 2.739 1
1 588 . 17 1 1 A 53 53 LYS C C 53 174.697 175.976 -1.279 1
1 589 . 17 1 1 A 54 54 VAL N N 54 110.661 118.070 -7.409 1
1 590 . 17 1 1 A 54 54 VAL H H 54 8.498 8.887 -0.389 1
1 591 . 17 1 1 A 54 54 VAL CA C 54 57.682 58.937 -1.255 1
1 592 . 17 1 1 A 54 54 VAL HA H 54 4.825 4.451 0.374 1
1 593 . 17 1 1 A 54 54 VAL CB C 54 34.634 35.665 -1.031 1
1 603 . 17 1 1 A 54 54 VAL C C 54 176.105 174.330 1.775 1
1 604 . 17 1 1 A 55 55 GLN N N 55 119.414 121.355 -1.941 1
1 605 . 17 1 1 A 55 55 GLN H H 55 7.924 8.362 -0.438 1
1 606 . 17 1 1 A 55 55 GLN CA C 55 56.023 55.469 0.554 1
1 607 . 17 1 1 A 55 55 GLN HA H 55 4.456 4.479 -0.023 1
1 608 . 17 1 1 A 55 55 GLN CB C 55 30.216 29.436 0.780 1
1 617 . 17 1 1 A 55 55 GLN C C 55 176.800 177.054 -0.254 1
1 618 . 17 1 1 A 56 56 ASN N N 56 125.676 120.287 5.389 1
1 619 . 17 1 1 A 56 56 ASN H H 56 8.837 8.901 -0.064 1
1 620 . 17 1 1 A 56 56 ASN CA C 56 53.190 52.832 0.358 1
1 621 . 17 1 1 A 56 56 ASN HA H 56 4.575 4.732 -0.157 1
1 622 . 17 1 1 A 56 56 ASN CB C 56 36.855 37.733 -0.878 1
1 628 . 17 1 1 A 56 56 ASN C C 56 174.747 175.470 -0.723 1
1 629 . 17 1 1 A 57 57 LEU N N 57 124.779 123.281 1.498 1
1 630 . 17 1 1 A 57 57 LEU H H 57 7.284 8.276 -0.992 1
1 631 . 17 1 1 A 57 57 LEU CA C 57 55.224 57.614 -2.390 1
1 632 . 17 1 1 A 57 57 LEU HA H 57 4.326 4.019 0.307 1
1 633 . 17 1 1 A 57 57 LEU CB C 57 43.634 42.174 1.460 1
1 646 . 17 1 1 A 57 57 LEU C C 57 176.186 176.930 -0.744 1
1 647 . 17 1 1 A 58 58 ALA N N 58 119.342 119.431 -0.089 1
1 648 . 17 1 1 A 58 58 ALA H H 58 7.724 7.936 -0.212 1
1 649 . 17 1 1 A 58 58 ALA CA C 58 51.687 50.294 1.393 1
1 650 . 17 1 1 A 58 58 ALA HA H 58 4.343 4.767 -0.424 1
1 651 . 17 1 1 A 58 58 ALA CB C 58 21.122 21.475 -0.353 1
1 655 . 17 1 1 A 58 58 ALA C C 58 175.847 178.066 -2.219 1
1 656 . 17 1 1 A 59 59 PHE N N 59 118.235 120.438 -2.203 1
1 657 . 17 1 1 A 59 59 PHE H H 59 8.231 9.099 -0.868 1
1 658 . 17 1 1 A 59 59 PHE CA C 59 60.105 62.307 -2.202 1
1 659 . 17 1 1 A 59 59 PHE HA H 59 4.428 4.069 0.359 1
1 660 . 17 1 1 A 59 59 PHE CB C 59 40.386 39.850 0.536 1
1 673 . 17 1 1 A 59 59 PHE C C 59 176.670 174.941 1.729 1
1 674 . 17 1 1 A 60 60 GLU N N 60 120.295 117.080 3.215 1
1 675 . 17 1 1 A 60 60 GLU H H 60 8.482 7.977 0.505 1
1 676 . 17 1 1 A 60 60 GLU CA C 60 57.134 56.229 0.905 1
1 677 . 17 1 1 A 60 60 GLU HA H 60 4.306 4.947 -0.641 1
1 678 . 17 1 1 A 60 60 GLU CB C 60 29.569 31.378 -1.809 1
1 684 . 17 1 1 A 60 60 GLU C C 60 175.584 176.367 -0.783 1
1 685 . 17 1 1 A 61 61 LYS N N 61 123.512 120.971 2.541 1
1 686 . 17 1 1 A 61 61 LYS H H 61 8.377 9.154 -0.777 1
1 687 . 17 1 1 A 61 61 LYS CA C 61 55.939 54.195 1.744 1
1 688 . 17 1 1 A 61 61 LYS HA H 61 5.038 5.235 -0.197 1
1 689 . 17 1 1 A 61 61 LYS CB C 61 37.890 36.914 0.976 1
1 701 . 17 1 1 A 61 61 LYS C C 61 175.510 174.904 0.606 1
1 702 . 17 1 1 A 62 62 THR N N 62 117.107 114.518 2.589 1
1 703 . 17 1 1 A 62 62 THR H H 62 8.285 8.567 -0.282 1
1 704 . 17 1 1 A 62 62 THR CA C 62 62.340 61.497 0.843 1
1 705 . 17 1 1 A 62 62 THR HA H 62 4.435 4.878 -0.443 1
1 706 . 17 1 1 A 62 62 THR CB C 62 71.605 71.015 0.590 1
1 712 . 17 1 1 A 62 62 THR C C 62 172.156 172.890 -0.734 1
1 713 . 17 1 1 A 63 63 VAL N N 63 128.402 127.856 0.546 1
1 714 . 17 1 1 A 63 63 VAL H H 63 8.719 8.898 -0.179 1
1 715 . 17 1 1 A 63 63 VAL CA C 63 60.707 60.809 -0.102 1
1 716 . 17 1 1 A 63 63 VAL HA H 63 4.755 4.598 0.157 1
1 717 . 17 1 1 A 63 63 VAL CB C 63 35.210 32.699 2.511 1
1 727 . 17 1 1 A 63 63 VAL C C 63 174.313 175.240 -0.927 1
1 728 . 17 1 1 A 64 64 LYS N N 64 123.629 125.700 -2.071 1
1 729 . 17 1 1 A 64 64 LYS H H 64 8.519 8.453 0.066 1
1 730 . 17 1 1 A 64 64 LYS CA C 64 54.850 54.934 -0.084 1
1 731 . 17 1 1 A 64 64 LYS HA H 64 4.997 5.150 -0.153 1
1 732 . 17 1 1 A 64 64 LYS CB C 64 37.343 35.885 1.458 1
1 744 . 17 1 1 A 64 64 LYS C C 64 173.348 175.098 -1.750 1
1 745 . 17 1 1 A 65 65 ILE N N 65 119.250 125.104 -5.854 1
1 746 . 17 1 1 A 65 65 ILE H H 65 8.637 8.621 0.016 1
1 747 . 17 1 1 A 65 65 ILE CA C 65 57.894 60.138 -2.244 1
1 748 . 17 1 1 A 65 65 ILE HA H 65 4.451 4.751 -0.300 1
1 749 . 17 1 1 A 65 65 ILE CB C 65 37.638 38.568 -0.930 1
1 762 . 17 1 1 A 65 65 ILE C C 65 174.893 175.245 -0.352 1
1 763 . 17 1 1 A 66 66 ARG N N 66 130.193 126.708 3.485 1
1 764 . 17 1 1 A 66 66 ARG H H 66 9.244 8.614 0.630 1
1 765 . 17 1 1 A 66 66 ARG CA C 66 55.930 55.185 0.745 1
1 766 . 17 1 1 A 66 66 ARG HA H 66 5.440 4.934 0.506 1
1 767 . 17 1 1 A 66 66 ARG CB C 66 31.514 31.390 0.124 1
1 778 . 17 1 1 A 66 66 ARG C C 66 174.161 174.682 -0.521 1
1 779 . 17 1 1 A 67 67 MET N N 67 128.046 122.447 5.599 1
1 780 . 17 1 1 A 67 67 MET H H 67 9.343 9.009 0.334 1
1 781 . 17 1 1 A 67 67 MET CA C 67 54.217 53.933 0.284 1
1 782 . 17 1 1 A 67 67 MET HA H 67 5.318 5.336 -0.018 1
1 783 . 17 1 1 A 67 67 MET CB C 67 37.533 36.001 1.532 1
1 793 . 17 1 1 A 67 67 MET C C 67 173.432 173.685 -0.253 1
1 794 . 17 1 1 A 68 68 THR N N 68 118.404 118.650 -0.246 1
1 795 . 17 1 1 A 68 68 THR H H 68 8.474 8.422 0.052 1
1 796 . 17 1 1 A 68 68 THR CA C 68 58.903 59.358 -0.455 1
1 797 . 17 1 1 A 68 68 THR HA H 68 3.948 4.937 -0.989 1
1 798 . 17 1 1 A 68 68 THR CB C 68 71.091 70.975 0.116 1
1 804 . 17 1 1 A 68 68 THR C C 68 170.783 173.598 -2.815 1
1 805 . 17 1 1 A 69 69 PHE N N 69 124.029 122.321 1.708 1
1 806 . 17 1 1 A 69 69 PHE H H 69 8.910 9.156 -0.246 1
1 807 . 17 1 1 A 69 69 PHE CA C 69 55.772 58.031 -2.259 1
1 808 . 17 1 1 A 69 69 PHE HA H 69 4.783 4.800 -0.017 1
1 809 . 17 1 1 A 69 69 PHE CB C 69 39.748 41.211 -1.463 1
1 822 . 17 1 1 A 69 69 PHE C C 69 174.951 175.444 -0.493 1
1 823 . 17 1 1 A 70 70 ASP N N 70 121.457 120.452 1.005 1
1 824 . 17 1 1 A 70 70 ASP H H 70 8.841 7.447 1.394 1
1 825 . 17 1 1 A 70 70 ASP CA C 70 52.288 52.681 -0.393 1
1 826 . 17 1 1 A 70 70 ASP HA H 70 4.661 4.968 -0.307 1
1 827 . 17 1 1 A 70 70 ASP CB C 70 40.026 41.354 -1.328 1
1 830 . 17 1 1 A 70 70 ASP C C 70 177.065 175.129 1.936 1
1 831 . 17 1 1 A 71 71 THR N N 71 114.661 121.103 -6.442 1
1 832 . 17 1 1 A 71 71 THR H H 71 8.724 9.555 -0.831 1
1 833 . 17 1 1 A 71 71 THR CA C 71 63.824 63.061 0.763 1
1 834 . 17 1 1 A 71 71 THR HA H 71 3.181 4.180 -0.999 1
1 835 . 17 1 1 A 71 71 THR CB C 71 66.535 67.075 -0.540 1
1 841 . 17 1 1 A 71 71 THR C C 71 173.648 174.147 -0.499 1
1 842 . 17 1 1 A 72 72 TRP N N 72 111.097 113.854 -2.757 1
1 843 . 17 1 1 A 72 72 TRP H H 72 8.854 8.136 0.718 1
1 844 . 17 1 1 A 72 72 TRP CA C 72 58.910 57.711 1.199 1
1 845 . 17 1 1 A 72 72 TRP HA H 72 3.951 4.387 -0.436 1
1 846 . 17 1 1 A 72 72 TRP CB C 72 24.332 26.939 -2.607 1
1 861 . 17 1 1 A 72 72 TRP C C 72 176.875 176.190 0.685 1
1 862 . 17 1 1 A 73 73 LYS N N 73 124.701 118.043 6.658 1
1 863 . 17 1 1 A 73 73 LYS H H 73 7.785 8.402 -0.617 1
1 864 . 17 1 1 A 73 73 LYS CA C 73 60.463 57.460 3.003 1
1 865 . 17 1 1 A 73 73 LYS HA H 73 4.174 4.415 -0.241 1
1 866 . 17 1 1 A 73 73 LYS CB C 73 31.024 33.631 -2.607 1
1 878 . 17 1 1 A 73 73 LYS C C 73 177.622 177.181 0.441 1
1 879 . 17 1 1 A 74 74 SER N N 74 117.041 110.393 6.648 1
1 880 . 17 1 1 A 74 74 SER H H 74 10.002 7.720 2.282 1
1 881 . 17 1 1 A 74 74 SER CA C 74 57.539 57.609 -0.070 1
1 882 . 17 1 1 A 74 74 SER HA H 74 4.556 4.567 -0.011 1
1 883 . 17 1 1 A 74 74 SER CB C 74 66.372 65.109 1.263 1
1 886 . 17 1 1 A 74 74 SER C C 74 171.956 171.955 0.001 1
1 887 . 17 1 1 A 75 75 TYR N N 75 113.320 124.577 -11.257 1
1 888 . 17 1 1 A 75 75 TYR H H 75 7.735 8.107 -0.372 1
1 889 . 17 1 1 A 75 75 TYR CA C 75 57.155 55.192 1.963 1
1 890 . 17 1 1 A 75 75 TYR HA H 75 5.229 5.729 -0.500 1
1 891 . 17 1 1 A 75 75 TYR CB C 75 40.745 42.013 -1.268 1
1 902 . 17 1 1 A 75 75 TYR C C 75 174.262 174.444 -0.182 1
1 903 . 17 1 1 A 76 76 THR N N 76 117.158 114.847 2.311 1
1 904 . 17 1 1 A 76 76 THR H H 76 9.212 8.464 0.748 1
1 905 . 17 1 1 A 76 76 THR CA C 76 62.104 61.291 0.813 1
1 906 . 17 1 1 A 76 76 THR HA H 76 4.318 4.769 -0.451 1
1 907 . 17 1 1 A 76 76 THR CB C 76 72.675 70.719 1.956 1
1 913 . 17 1 1 A 76 76 THR C C 76 171.344 173.370 -2.026 1
1 914 . 17 1 1 A 77 77 ASP N N 77 125.875 126.768 -0.893 1
1 915 . 17 1 1 A 77 77 ASP H H 77 8.569 8.764 -0.195 1
1 916 . 17 1 1 A 77 77 ASP CA C 77 52.422 54.293 -1.871 1
1 917 . 17 1 1 A 77 77 ASP HA H 77 5.865 4.849 1.016 1
1 918 . 17 1 1 A 77 77 ASP CB C 77 41.512 40.670 0.842 1
1 921 . 17 1 1 A 77 77 ASP C C 77 175.921 175.061 0.860 1
1 922 . 17 1 1 A 78 78 PHE N N 78 125.666 124.753 0.913 1
1 923 . 17 1 1 A 78 78 PHE H H 78 9.992 8.239 1.753 1
1 924 . 17 1 1 A 78 78 PHE CA C 78 55.578 56.346 -0.768 1
1 925 . 17 1 1 A 78 78 PHE HA H 78 4.943 4.844 0.099 1
1 926 . 17 1 1 A 78 78 PHE CB C 78 40.375 39.980 0.395 1
1 939 . 17 1 1 A 78 78 PHE C C 78 173.610 174.037 -0.427 1
1 940 . 17 1 1 A 79 79 PRO CA C 79 63.363 63.175 0.188 1
1 941 . 17 1 1 A 79 79 PRO HA H 79 4.615 4.600 0.015 1
1 942 . 17 1 1 A 79 79 PRO CB C 79 32.787 32.509 0.278 1
1 951 . 17 1 1 A 79 79 PRO C C 79 176.681 176.965 -0.284 1
1 952 . 17 1 1 A 80 80 CYS N N 80 117.289 122.191 -4.902 1
1 953 . 17 1 1 A 80 80 CYS H H 80 8.308 8.097 0.211 1
1 954 . 17 1 1 A 80 80 CYS CA C 80 57.675 59.896 -2.221 1
1 955 . 17 1 1 A 80 80 CYS HA H 80 5.242 5.096 0.146 1
1 956 . 17 1 1 A 80 80 CYS CB C 80 30.658 28.522 2.136 1
1 959 . 17 1 1 A 80 80 CYS C C 80 174.899 175.143 -0.244 1
1 960 . 17 1 1 A 81 81 GLN N N 81 122.188 123.502 -1.314 1
1 961 . 17 1 1 A 81 81 GLN H H 81 9.312 8.885 0.427 1
1 962 . 17 1 1 A 81 81 GLN CA C 81 54.620 55.084 -0.464 1
1 963 . 17 1 1 A 81 81 GLN HA H 81 4.911 4.896 0.015 1
1 964 . 17 1 1 A 81 81 GLN CB C 81 31.213 31.264 -0.051 1
1 973 . 17 1 1 A 81 81 GLN C C 81 175.035 174.494 0.541 1
1 974 . 17 1 1 A 82 82 TYR N N 82 125.814 123.209 2.605 1
1 975 . 17 1 1 A 82 82 TYR H H 82 8.919 8.968 -0.049 1
1 976 . 17 1 1 A 82 82 TYR CA C 82 58.764 56.051 2.713 1
1 977 . 17 1 1 A 82 82 TYR HA H 82 3.403 5.097 -1.694 1
1 978 . 17 1 1 A 82 82 TYR CB C 82 38.346 41.092 -2.746 1
1 989 . 17 1 1 A 82 82 TYR C C 82 175.413 173.810 1.603 1
1 990 . 17 1 1 A 83 83 VAL N N 83 129.316 126.774 2.542 1
1 991 . 17 1 1 A 83 83 VAL H H 83 7.782 8.744 -0.962 1
1 992 . 17 1 1 A 83 83 VAL CA C 83 61.693 61.476 0.217 1
1 993 . 17 1 1 A 83 83 VAL HA H 83 3.758 4.163 -0.405 1
1 994 . 17 1 1 A 83 83 VAL CB C 83 32.564 32.453 0.111 1
1 1004 . 17 1 1 A 83 83 VAL C C 83 173.771 176.166 -2.395 1
1 1005 . 17 1 1 A 84 84 LYS N N 84 126.665 120.583 6.082 1
1 1006 . 17 1 1 A 84 84 LYS H H 84 8.174 8.206 -0.032 1
1 1007 . 17 1 1 A 84 84 LYS CA C 84 56.144 55.087 1.057 1
1 1008 . 17 1 1 A 84 84 LYS HA H 84 4.016 4.334 -0.318 1
1 1009 . 17 1 1 A 84 84 LYS CB C 84 32.170 31.938 0.232 1
1 1021 . 17 1 1 A 84 84 LYS C C 84 175.610 176.147 -0.537 1
1 1022 . 17 1 1 A 85 85 ASP N N 85 124.262 121.100 3.162 1
1 1023 . 17 1 1 A 85 85 ASP H H 85 7.864 7.496 0.368 1
1 1024 . 17 1 1 A 85 85 ASP CA C 85 53.349 53.981 -0.632 1
1 1025 . 17 1 1 A 85 85 ASP HA H 85 4.678 4.497 0.181 1
1 1026 . 17 1 1 A 85 85 ASP CB C 85 41.683 42.328 -0.645 1
1 1029 . 17 1 1 A 85 85 ASP C C 85 176.841 176.798 0.043 1
1 1030 . 17 1 1 A 86 86 THR N N 86 113.656 119.307 -5.651 1
1 1031 . 17 1 1 A 86 86 THR H H 86 8.065 8.381 -0.316 1
1 1032 . 17 1 1 A 86 86 THR CA C 86 63.274 65.515 -2.241 1
1 1033 . 17 1 1 A 86 86 THR HA H 86 4.086 3.841 0.245 1
1 1034 . 17 1 1 A 86 86 THR CB C 86 69.257 68.939 0.318 1
1 1040 . 17 1 1 A 86 86 THR C C 86 174.589 175.618 -1.029 1
1 1041 . 17 1 1 A 87 87 TYR N N 87 120.837 117.178 3.659 1
1 1042 . 17 1 1 A 87 87 TYR H H 87 8.064 7.390 0.674 1
1 1043 . 17 1 1 A 87 87 TYR CA C 87 58.054 60.148 -2.094 1
1 1044 . 17 1 1 A 87 87 TYR HA H 87 4.527 4.279 0.248 1
1 1045 . 17 1 1 A 87 87 TYR CB C 87 38.297 39.235 -0.938 1
1 1056 . 17 1 1 A 87 87 TYR C C 87 175.590 176.408 -0.818 1
1 1057 . 17 1 1 A 88 88 ALA N N 88 125.226 121.209 4.017 1
1 1058 . 17 1 1 A 88 88 ALA H H 88 7.963 7.749 0.214 1
1 1059 . 17 1 1 A 88 88 ALA CA C 88 53.104 53.429 -0.325 1
1 1060 . 17 1 1 A 88 88 ALA HA H 88 4.389 4.062 0.327 1
1 1061 . 17 1 1 A 88 88 ALA CB C 88 19.127 19.496 -0.369 1
1 1065 . 17 1 1 A 88 88 ALA C C 88 178.497 178.591 -0.094 1
1 1066 . 17 1 1 A 89 89 GLY N N 89 109.029 110.891 -1.862 1
1 1067 . 17 1 1 A 89 89 GLY H H 89 8.479 8.960 -0.481 1
1 1068 . 17 1 1 A 89 89 GLY CA C 89 45.426 46.508 -1.082 1
1 1069 . 17 1 1 A 89 89 GLY HA2 H 89 3.952 4.031 -0.079 1
1 1070 . 17 1 1 A 89 89 GLY HA3 H 89 4.079 4.044 0.035 1
1 1071 . 17 1 1 A 89 89 GLY C C 89 174.563 174.820 -0.257 1
1 1072 . 17 1 1 A 90 90 SER N N 90 115.638 112.993 2.645 1
1 1073 . 17 1 1 A 90 90 SER H H 90 8.232 8.168 0.064 1
1 1074 . 17 1 1 A 90 90 SER CA C 90 58.443 60.406 -1.963 1
1 1075 . 17 1 1 A 90 90 SER HA H 90 4.574 4.657 -0.083 1
1 1076 . 17 1 1 A 90 90 SER CB C 90 63.865 63.893 -0.028 1
1 1079 . 17 1 1 A 90 90 SER C C 90 174.212 175.113 -0.901 1
1 1080 . 17 1 1 A 91 91 ASP N N 91 120.185 117.963 2.222 1
1 1081 . 17 1 1 A 91 91 ASP H H 91 8.691 8.398 0.293 1
1 1082 . 17 1 1 A 91 91 ASP CA C 91 55.012 55.017 -0.005 1
1 1083 . 17 1 1 A 91 91 ASP HA H 91 4.684 4.792 -0.108 1
1 1084 . 17 1 1 A 91 91 ASP CB C 91 40.643 42.631 -1.988 1
1 1087 . 17 1 1 A 91 91 ASP C C 91 176.350 176.071 0.279 1
1 1088 . 17 1 1 A 92 92 ARG N N 92 119.690 115.872 3.818 1
1 1089 . 17 1 1 A 92 92 ARG H H 92 8.072 7.743 0.329 1
1 1090 . 17 1 1 A 92 92 ARG CA C 92 54.941 55.573 -0.632 1
1 1091 . 17 1 1 A 92 92 ARG HA H 92 5.022 4.754 0.268 1
1 1092 . 17 1 1 A 92 92 ARG CB C 92 32.816 32.183 0.633 1
1 1101 . 17 1 1 A 92 92 ARG C C 92 174.072 175.772 -1.700 1
1 1102 . 17 1 1 A 93 93 ASP N N 93 119.716 122.223 -2.507 1
1 1103 . 17 1 1 A 93 93 ASP H H 93 8.550 8.545 0.005 1
1 1104 . 17 1 1 A 93 93 ASP CA C 93 53.411 54.877 -1.466 1
1 1105 . 17 1 1 A 93 93 ASP HA H 93 5.108 4.678 0.430 1
1 1106 . 17 1 1 A 93 93 ASP CB C 93 46.005 40.836 5.169 1
1 1109 . 17 1 1 A 93 93 ASP C C 93 174.776 176.238 -1.462 1
1 1110 . 17 1 1 A 94 94 THR N N 94 116.481 117.433 -0.952 1
1 1111 . 17 1 1 A 94 94 THR H H 94 8.932 8.633 0.299 1
1 1112 . 17 1 1 A 94 94 THR CA C 94 62.287 61.109 1.178 1
1 1113 . 17 1 1 A 94 94 THR HA H 94 5.232 5.122 0.110 1
1 1114 . 17 1 1 A 94 94 THR CB C 94 70.008 71.239 -1.231 1
1 1120 . 17 1 1 A 94 94 THR C C 94 171.982 173.551 -1.569 1
1 1121 . 17 1 1 A 95 95 PHE N N 95 124.488 125.987 -1.499 1
1 1122 . 17 1 1 A 95 95 PHE H H 95 9.347 9.209 0.138 1
1 1123 . 17 1 1 A 95 95 PHE CA C 95 55.834 56.052 -0.218 1
1 1124 . 17 1 1 A 95 95 PHE HA H 95 5.321 5.621 -0.300 1
1 1125 . 17 1 1 A 95 95 PHE CB C 95 43.478 42.713 0.765 1
1 1138 . 17 1 1 A 95 95 PHE C C 95 174.780 174.384 0.396 1
1 1139 . 17 1 1 A 96 96 SER N N 96 117.417 115.697 1.720 1
1 1140 . 17 1 1 A 96 96 SER H H 96 10.108 9.383 0.725 1
1 1141 . 17 1 1 A 96 96 SER CA C 96 56.388 56.344 0.044 1
1 1142 . 17 1 1 A 96 96 SER HA H 96 5.575 5.614 -0.039 1
1 1143 . 17 1 1 A 96 96 SER CB C 96 67.188 66.953 0.235 1
1 1146 . 17 1 1 A 96 96 SER C C 96 173.079 172.832 0.247 1
1 1147 . 17 1 1 A 97 97 PHE N N 97 114.813 118.898 -4.085 1
1 1148 . 17 1 1 A 97 97 PHE H H 97 7.991 8.702 -0.711 1
1 1149 . 17 1 1 A 97 97 PHE CA C 97 56.003 55.365 0.638 1
1 1150 . 17 1 1 A 97 97 PHE HA H 97 5.249 5.520 -0.271 1
1 1151 . 17 1 1 A 97 97 PHE CB C 97 42.008 42.652 -0.644 1
1 1164 . 17 1 1 A 97 97 PHE C C 97 174.316 172.795 1.521 1
1 1165 . 17 1 1 A 98 98 ASP N N 98 121.809 119.281 2.528 1
1 1166 . 17 1 1 A 98 98 ASP H H 98 8.297 9.008 -0.711 1
1 1167 . 17 1 1 A 98 98 ASP CA C 98 54.789 52.623 2.166 1
1 1168 . 17 1 1 A 98 98 ASP HA H 98 5.006 5.372 -0.366 1
1 1169 . 17 1 1 A 98 98 ASP CB C 98 42.282 42.391 -0.109 1
1 1172 . 17 1 1 A 98 98 ASP C C 98 174.959 174.295 0.664 1
1 1173 . 17 1 1 A 99 99 ILE N N 99 126.714 126.062 0.652 1
1 1174 . 17 1 1 A 99 99 ILE H H 99 9.331 8.514 0.817 1
1 1175 . 17 1 1 A 99 99 ILE CA C 99 60.455 59.804 0.651 1
1 1176 . 17 1 1 A 99 99 ILE HA H 99 4.016 4.415 -0.399 1
1 1177 . 17 1 1 A 99 99 ILE CB C 99 42.110 39.813 2.297 1
1 1190 . 17 1 1 A 99 99 ILE C C 99 175.019 174.848 0.171 1
1 1191 . 17 1 1 A 100 100 SER N N 100 122.590 121.714 0.876 1
1 1192 . 17 1 1 A 100 100 SER H H 100 8.345 8.798 -0.453 1
1 1193 . 17 1 1 A 100 100 SER CA C 100 58.848 56.461 2.387 1
1 1194 . 17 1 1 A 100 100 SER HA H 100 4.527 4.946 -0.419 1
1 1195 . 17 1 1 A 100 100 SER CB C 100 63.482 64.264 -0.782 1
1 1198 . 17 1 1 A 100 100 SER C C 100 173.557 174.501 -0.944 1
1 1199 . 17 1 1 A 101 101 LEU N N 101 124.776 126.239 -1.463 1
1 1200 . 17 1 1 A 101 101 LEU H H 101 8.277 8.703 -0.426 1
1 1201 . 17 1 1 A 101 101 LEU CA C 101 52.430 53.518 -1.088 1
1 1202 . 17 1 1 A 101 101 LEU HA H 101 4.375 4.534 -0.159 1
1 1203 . 17 1 1 A 101 101 LEU CB C 101 40.427 40.803 -0.376 1
1 1216 . 17 1 1 A 101 101 LEU C C 101 174.363 174.628 -0.265 1
1 1217 . 17 1 1 A 102 102 PRO CA C 102 62.488 62.219 0.269 1
1 1218 . 17 1 1 A 102 102 PRO HA H 102 4.259 4.357 -0.098 1
1 1219 . 17 1 1 A 102 102 PRO CB C 102 32.073 32.458 -0.385 1
1 1228 . 17 1 1 A 102 102 PRO C C 102 175.687 177.738 -2.051 1
1 1229 . 17 1 1 A 103 103 GLU N N 103 118.843 121.169 -2.326 1
1 1230 . 17 1 1 A 103 103 GLU H H 103 8.286 8.683 -0.397 1
1 1231 . 17 1 1 A 103 103 GLU CA C 103 58.131 59.140 -1.009 1
1 1232 . 17 1 1 A 103 103 GLU HA H 103 4.013 4.079 -0.066 1
1 1233 . 17 1 1 A 103 103 GLU CB C 103 30.344 29.272 1.072 1
1 1239 . 17 1 1 A 103 103 GLU C C 103 176.869 175.892 0.977 1
1 1240 . 17 1 1 A 104 104 LYS N N 104 116.544 117.346 -0.802 1
1 1241 . 17 1 1 A 104 104 LYS H H 104 7.869 7.688 0.181 1
1 1242 . 17 1 1 A 104 104 LYS CA C 104 55.314 55.105 0.209 1
1 1243 . 17 1 1 A 104 104 LYS HA H 104 4.474 5.020 -0.546 1
1 1244 . 17 1 1 A 104 104 LYS CB C 104 33.428 37.007 -3.579 1
1 1256 . 17 1 1 A 104 104 LYS C C 104 175.231 174.903 0.328 1
1 1257 . 17 1 1 A 105 105 ILE N N 105 122.507 121.698 0.809 1
1 1258 . 17 1 1 A 105 105 ILE H H 105 8.236 8.643 -0.407 1
1 1259 . 17 1 1 A 105 105 ILE CA C 105 60.636 60.794 -0.158 1
1 1260 . 17 1 1 A 105 105 ILE HA H 105 4.190 4.533 -0.343 1
1 1261 . 17 1 1 A 105 105 ILE CB C 105 39.685 40.827 -1.142 1
1 1274 . 17 1 1 A 105 105 ILE C C 105 176.091 175.281 0.810 1
1 1275 . 17 1 1 A 106 106 GLN N N 106 124.467 125.756 -1.289 1
1 1276 . 17 1 1 A 106 106 GLN H H 106 8.752 7.980 0.772 1
1 1277 . 17 1 1 A 106 106 GLN CA C 106 56.244 54.900 1.344 1
1 1278 . 17 1 1 A 106 106 GLN HA H 106 4.243 4.341 -0.098 1
1 1279 . 17 1 1 A 106 106 GLN CB C 106 28.717 28.663 0.054 1
1 1288 . 17 1 1 A 106 106 GLN C C 106 177.593 174.904 2.689 1
1 1289 . 17 1 1 A 107 107 SER N N 107 116.963 113.053 3.910 1
1 1290 . 17 1 1 A 107 107 SER H H 107 8.623 7.776 0.847 1
1 1291 . 17 1 1 A 107 107 SER CA C 107 60.530 59.006 1.524 1
1 1292 . 17 1 1 A 107 107 SER HA H 107 4.152 4.069 0.083 1
1 1293 . 17 1 1 A 107 107 SER CB C 107 63.187 62.108 1.079 1
1 1296 . 17 1 1 A 107 107 SER C C 107 174.222 174.901 -0.679 1
1 1297 . 17 1 1 A 108 108 TYR N N 108 116.323 118.940 -2.617 1
1 1298 . 17 1 1 A 108 108 TYR H H 108 7.330 7.778 -0.448 1
1 1299 . 17 1 1 A 108 108 TYR CA C 108 56.727 57.286 -0.559 1
1 1300 . 17 1 1 A 108 108 TYR HA H 108 4.655 4.687 -0.032 1
1 1301 . 17 1 1 A 108 108 TYR CB C 108 37.491 39.922 -2.431 1
1 1312 . 17 1 1 A 108 108 TYR C C 108 175.768 174.523 1.245 1
1 1313 . 17 1 1 A 109 109 GLU N N 109 120.523 117.857 2.666 1
1 1314 . 17 1 1 A 109 109 GLU H H 109 7.587 7.939 -0.352 1
1 1315 . 17 1 1 A 109 109 GLU CA C 109 55.573 54.760 0.813 1
1 1316 . 17 1 1 A 109 109 GLU HA H 109 4.582 5.071 -0.489 1
1 1317 . 17 1 1 A 109 109 GLU CB C 109 31.360 33.010 -1.650 1
1 1323 . 17 1 1 A 109 109 GLU C C 109 176.013 175.105 0.908 1
1 1324 . 17 1 1 A 110 110 ARG N N 110 118.559 124.811 -6.252 1
1 1325 . 17 1 1 A 110 110 ARG H H 110 8.441 8.751 -0.310 1
1 1326 . 17 1 1 A 110 110 ARG CA C 110 55.667 57.019 -1.352 1
1 1327 . 17 1 1 A 110 110 ARG HA H 110 4.786 4.515 0.271 1
1 1328 . 17 1 1 A 110 110 ARG CB C 110 32.404 31.299 1.105 1
1 1339 . 17 1 1 A 110 110 ARG C C 110 174.387 174.843 -0.456 1
1 1340 . 17 1 1 A 111 111 MET N N 111 122.471 123.976 -1.505 1
1 1341 . 17 1 1 A 111 111 MET H H 111 8.665 8.630 0.035 1
1 1342 . 17 1 1 A 111 111 MET CA C 111 54.151 54.447 -0.296 1
1 1343 . 17 1 1 A 111 111 MET HA H 111 5.167 4.924 0.243 1
1 1344 . 17 1 1 A 111 111 MET CB C 111 35.735 35.367 0.368 1
1 1354 . 17 1 1 A 111 111 MET C C 111 174.924 174.204 0.720 1
1 1355 . 17 1 1 A 112 112 GLU N N 112 119.500 124.807 -5.307 1
1 1356 . 17 1 1 A 112 112 GLU H H 112 7.951 8.014 -0.063 1
1 1357 . 17 1 1 A 112 112 GLU CA C 112 53.909 54.586 -0.677 1
1 1358 . 17 1 1 A 112 112 GLU HA H 112 5.662 5.279 0.383 1
1 1359 . 17 1 1 A 112 112 GLU CB C 112 35.198 34.568 0.630 1
1 1365 . 17 1 1 A 112 112 GLU C C 112 174.483 174.775 -0.292 1
1 1366 . 17 1 1 A 113 113 PHE N N 113 115.033 117.399 -2.366 1
1 1367 . 17 1 1 A 113 113 PHE H H 113 9.278 8.800 0.478 1
1 1368 . 17 1 1 A 113 113 PHE CA C 113 55.857 56.377 -0.520 1
1 1369 . 17 1 1 A 113 113 PHE HA H 113 6.262 5.369 0.893 1
1 1370 . 17 1 1 A 113 113 PHE CB C 113 43.656 42.204 1.452 1
1 1383 . 17 1 1 A 113 113 PHE C C 113 172.253 172.569 -0.316 1
1 1384 . 17 1 1 A 114 114 ALA N N 114 121.461 122.020 -0.559 1
1 1385 . 17 1 1 A 114 114 ALA H H 114 9.475 9.067 0.408 1
1 1386 . 17 1 1 A 114 114 ALA CA C 114 50.860 50.512 0.348 1
1 1387 . 17 1 1 A 114 114 ALA HA H 114 5.026 5.392 -0.366 1
1 1388 . 17 1 1 A 114 114 ALA CB C 114 23.129 23.781 -0.652 1
1 1392 . 17 1 1 A 114 114 ALA C C 114 174.903 175.902 -0.999 1
1 1393 . 17 1 1 A 115 115 VAL N N 115 120.899 119.400 1.499 1
1 1394 . 17 1 1 A 115 115 VAL H H 115 8.928 8.454 0.474 1
1 1395 . 17 1 1 A 115 115 VAL CA C 115 61.379 61.825 -0.446 1
1 1396 . 17 1 1 A 115 115 VAL HA H 115 4.798 4.760 0.038 1
1 1397 . 17 1 1 A 115 115 VAL CB C 115 34.712 32.651 2.061 1
1 1407 . 17 1 1 A 115 115 VAL C C 115 174.444 174.607 -0.163 1
1 1408 . 17 1 1 A 116 116 TYR N N 116 123.426 127.350 -3.924 1
1 1409 . 17 1 1 A 116 116 TYR H H 116 8.963 8.849 0.114 1
1 1410 . 17 1 1 A 116 116 TYR CA C 116 55.480 55.212 0.268 1
1 1411 . 17 1 1 A 116 116 TYR HA H 116 5.081 4.775 0.306 1
1 1412 . 17 1 1 A 116 116 TYR CB C 116 38.928 40.061 -1.133 1
1 1423 . 17 1 1 A 116 116 TYR C C 116 172.208 172.924 -0.716 1
1 1424 . 17 1 1 A 117 117 TYR N N 117 123.249 130.103 -6.854 1
1 1425 . 17 1 1 A 117 117 TYR H H 117 8.858 8.834 0.024 1
1 1426 . 17 1 1 A 117 117 TYR CA C 117 52.371 56.888 -4.517 1
1 1427 . 17 1 1 A 117 117 TYR HA H 117 5.528 4.863 0.665 1
1 1428 . 17 1 1 A 117 117 TYR CB C 117 41.509 40.842 0.667 1
1 1439 . 17 1 1 A 117 117 TYR C C 117 173.159 174.003 -0.844 1
1 1440 . 17 1 1 A 118 118 GLU N N 118 127.681 127.131 0.550 1
1 1441 . 17 1 1 A 118 118 GLU H H 118 9.368 8.625 0.743 1
1 1442 . 17 1 1 A 118 118 GLU CA C 118 54.179 54.362 -0.183 1
1 1443 . 17 1 1 A 118 118 GLU HA H 118 5.085 5.304 -0.219 1
1 1444 . 17 1 1 A 118 118 GLU CB C 118 32.099 33.036 -0.937 1
1 1450 . 17 1 1 A 118 118 GLU C C 118 175.565 174.583 0.982 1
1 1451 . 17 1 1 A 119 119 CYS N N 119 122.152 122.162 -0.010 1
1 1452 . 17 1 1 A 119 119 CYS H H 119 8.323 8.002 0.321 1
1 1453 . 17 1 1 A 119 119 CYS CA C 119 58.248 58.005 0.243 1
1 1454 . 17 1 1 A 119 119 CYS HA H 119 4.479 4.552 -0.073 1
1 1455 . 17 1 1 A 119 119 CYS CB C 119 29.065 30.044 -0.979 1
1 1458 . 17 1 1 A 119 119 CYS C C 119 174.586 173.126 1.460 1
1 1459 . 17 1 1 A 120 120 ASN N N 120 126.917 118.876 8.041 1
1 1460 . 17 1 1 A 120 120 ASN H H 120 9.858 9.248 0.610 1
1 1461 . 17 1 1 A 120 120 ASN CA C 120 53.735 54.462 -0.727 1
1 1462 . 17 1 1 A 120 120 ASN HA H 120 4.342 4.416 -0.074 1
1 1463 . 17 1 1 A 120 120 ASN CB C 120 37.873 37.404 0.469 1
1 1469 . 17 1 1 A 120 120 ASN C C 120 174.943 175.487 -0.544 1
1 1470 . 17 1 1 A 121 121 GLY N N 121 104.866 103.737 1.129 1
1 1471 . 17 1 1 A 121 121 GLY H H 121 8.776 8.570 0.206 1
1 1472 . 17 1 1 A 121 121 GLY CA C 121 45.586 46.291 -0.705 1
1 1473 . 17 1 1 A 121 121 GLY HA2 H 121 4.041 3.846 0.195 1
1 1474 . 17 1 1 A 121 121 GLY HA3 H 121 3.553 3.853 -0.300 1
1 1475 . 17 1 1 A 121 121 GLY C C 121 173.804 173.677 0.127 1
1 1476 . 17 1 1 A 122 122 GLN N N 122 119.988 118.506 1.482 1
1 1477 . 17 1 1 A 122 122 GLN H H 122 7.677 7.620 0.057 1
1 1478 . 17 1 1 A 122 122 GLN CA C 122 53.624 53.523 0.101 1
1 1479 . 17 1 1 A 122 122 GLN HA H 122 4.395 4.767 -0.372 1
1 1480 . 17 1 1 A 122 122 GLN CB C 122 31.456 32.349 -0.893 1
1 1489 . 17 1 1 A 122 122 GLN C C 122 174.029 174.181 -0.152 1
1 1490 . 17 1 1 A 123 123 THR N N 123 116.337 116.102 0.235 1
1 1491 . 17 1 1 A 123 123 THR H H 123 7.990 8.506 -0.516 1
1 1492 . 17 1 1 A 123 123 THR CA C 123 61.935 61.264 0.671 1
1 1493 . 17 1 1 A 123 123 THR HA H 123 4.620 4.848 -0.228 1
1 1494 . 17 1 1 A 123 123 THR CB C 123 70.005 70.901 -0.896 1
1 1500 . 17 1 1 A 123 123 THR C C 123 172.596 172.617 -0.021 1
1 1501 . 17 1 1 A 124 124 TYR N N 124 128.915 125.970 2.945 1
1 1502 . 17 1 1 A 124 124 TYR H H 124 9.416 8.873 0.543 1
1 1503 . 17 1 1 A 124 124 TYR CA C 124 56.388 56.688 -0.300 1
1 1504 . 17 1 1 A 124 124 TYR HA H 124 4.962 5.125 -0.163 1
1 1505 . 17 1 1 A 124 124 TYR CB C 124 40.688 40.342 0.346 1
1 1516 . 17 1 1 A 124 124 TYR C C 124 174.284 175.117 -0.833 1
1 1517 . 17 1 1 A 125 125 TRP N N 125 119.850 122.509 -2.659 1
1 1518 . 17 1 1 A 125 125 TRP H H 125 8.738 9.056 -0.318 1
1 1519 . 17 1 1 A 125 125 TRP CA C 125 56.940 55.331 1.609 1
1 1520 . 17 1 1 A 125 125 TRP HA H 125 5.388 5.344 0.044 1
1 1521 . 17 1 1 A 125 125 TRP CB C 125 33.031 31.988 1.043 1
1 1536 . 17 1 1 A 125 125 TRP C C 125 176.973 174.640 2.333 1
1 1537 . 17 1 1 A 126 126 ASP N N 126 118.759 126.063 -7.304 1
1 1538 . 17 1 1 A 126 126 ASP H H 126 9.436 8.864 0.572 1
1 1539 . 17 1 1 A 126 126 ASP CA C 126 53.968 52.515 1.453 1
1 1540 . 17 1 1 A 126 126 ASP HA H 126 5.213 5.251 -0.038 1
1 1541 . 17 1 1 A 126 126 ASP CB C 126 42.641 42.021 0.620 1
1 1544 . 17 1 1 A 126 126 ASP C C 126 176.043 174.763 1.280 1
1 1545 . 17 1 1 A 127 127 SER N N 127 119.074 120.164 -1.090 1
1 1546 . 17 1 1 A 127 127 SER H H 127 8.520 8.918 -0.398 1
1 1547 . 17 1 1 A 127 127 SER CA C 127 55.118 57.594 -2.476 1
1 1548 . 17 1 1 A 127 127 SER HA H 127 4.811 4.829 -0.018 1
1 1549 . 17 1 1 A 127 127 SER CB C 127 63.866 63.010 0.856 1
1 1552 . 17 1 1 A 127 127 SER C C 127 175.840 174.467 1.373 1
1 1553 . 17 1 1 A 128 128 ASN N N 128 124.865 118.518 6.347 1
1 1554 . 17 1 1 A 128 128 ASN H H 128 9.242 8.896 0.346 1
1 1555 . 17 1 1 A 128 128 ASN CA C 128 53.224 53.077 0.147 1
1 1556 . 17 1 1 A 128 128 ASN HA H 128 4.071 2.937 1.134 1
1 1557 . 17 1 1 A 128 128 ASN CB C 128 34.281 36.199 -1.918 1
1 1563 . 17 1 1 A 128 128 ASN C C 128 176.607 173.958 2.649 1
1 1564 . 17 1 1 A 129 129 ARG N N 129 114.718 112.066 2.652 1
1 1565 . 17 1 1 A 129 129 ARG H H 129 9.475 8.235 1.240 1
1 1566 . 17 1 1 A 129 129 ARG CA C 129 56.798 56.937 -0.139 1
1 1567 . 17 1 1 A 129 129 ARG HA H 129 3.774 3.909 -0.135 1
1 1568 . 17 1 1 A 129 129 ARG CB C 129 27.145 28.188 -1.043 1
1 1579 . 17 1 1 A 129 129 ARG C C 129 176.132 175.843 0.289 1
1 1580 . 17 1 1 A 130 130 GLY N N 130 106.337 105.426 0.911 1
1 1581 . 17 1 1 A 130 130 GLY H H 130 7.568 8.046 -0.478 1
1 1582 . 17 1 1 A 130 130 GLY CA C 130 44.896 46.041 -1.145 1
1 1583 . 17 1 1 A 130 130 GLY HA2 H 130 4.103 4.009 0.094 1
1 1584 . 17 1 1 A 130 130 GLY HA3 H 130 3.425 4.034 -0.609 1
1 1585 . 17 1 1 A 130 130 GLY C C 130 174.521 174.010 0.511 1
1 1586 . 17 1 1 A 131 131 LYS N N 131 119.902 122.413 -2.511 1
1 1587 . 17 1 1 A 131 131 LYS H H 131 7.278 8.402 -1.124 1
1 1588 . 17 1 1 A 131 131 LYS CA C 131 57.336 56.974 0.362 1
1 1589 . 17 1 1 A 131 131 LYS HA H 131 4.132 4.383 -0.251 1
1 1590 . 17 1 1 A 131 131 LYS CB C 131 33.719 34.537 -0.818 1
1 1602 . 17 1 1 A 131 131 LYS C C 131 177.813 176.271 1.542 1
1 1603 . 17 1 1 A 132 132 ASN N N 132 107.489 112.257 -4.768 1
1 1604 . 17 1 1 A 132 132 ASN H H 132 8.268 7.589 0.679 1
1 1605 . 17 1 1 A 132 132 ASN CA C 132 54.717 52.224 2.493 1
1 1606 . 17 1 1 A 132 132 ASN HA H 132 3.691 4.769 -1.078 1
1 1607 . 17 1 1 A 132 132 ASN CB C 132 39.462 41.248 -1.786 1
1 1613 . 17 1 1 A 132 132 ASN C C 132 172.611 172.647 -0.036 1
1 1614 . 17 1 1 A 133 133 TYR N N 133 120.541 120.762 -0.221 1
1 1615 . 17 1 1 A 133 133 TYR H H 133 8.696 8.480 0.216 1
1 1616 . 17 1 1 A 133 133 TYR CA C 133 58.334 57.776 0.558 1
1 1617 . 17 1 1 A 133 133 TYR HA H 133 3.879 4.244 -0.365 1
1 1618 . 17 1 1 A 133 133 TYR CB C 133 35.955 36.925 -0.970 1
1 1627 . 17 1 1 A 133 133 TYR C C 133 175.026 174.799 0.227 1
1 1628 . 17 1 1 A 134 134 ARG N N 134 123.205 126.070 -2.865 1
1 1629 . 17 1 1 A 134 134 ARG H H 134 8.584 8.467 0.117 1
1 1630 . 17 1 1 A 134 134 ARG CA C 134 56.025 56.030 -0.005 1
1 1631 . 17 1 1 A 134 134 ARG HA H 134 5.043 4.698 0.345 1
1 1632 . 17 1 1 A 134 134 ARG CB C 134 32.734 30.741 1.993 1
1 1643 . 17 1 1 A 134 134 ARG C C 134 174.511 175.012 -0.501 1
1 1644 . 17 1 1 A 135 135 ILE N N 135 124.430 127.332 -2.902 1
1 1645 . 17 1 1 A 135 135 ILE H H 135 8.429 8.331 0.098 1
1 1646 . 17 1 1 A 135 135 ILE CA C 135 61.078 60.945 0.133 1
1 1647 . 17 1 1 A 135 135 ILE HA H 135 4.797 4.575 0.222 1
1 1648 . 17 1 1 A 135 135 ILE CB C 135 39.875 37.294 2.581 1
1 1661 . 17 1 1 A 135 135 ILE C C 135 175.279 175.826 -0.547 1
1 1662 . 17 1 1 A 136 136 ILE N N 136 120.496 123.663 -3.167 1
1 1663 . 17 1 1 A 136 136 ILE H H 136 9.000 8.945 0.055 1
1 1664 . 17 1 1 A 136 136 ILE CA C 136 59.359 59.123 0.236 1
1 1665 . 17 1 1 A 136 136 ILE HA H 136 5.028 5.186 -0.158 1
1 1666 . 17 1 1 A 136 136 ILE CB C 136 42.170 40.894 1.276 1
1 1679 . 17 1 1 A 136 136 ILE C C 136 175.144 175.395 -0.251 1
1 1680 . 17 1 1 A 137 137 ARG N N 137 122.183 124.038 -1.855 1
1 1681 . 17 1 1 A 137 137 ARG H H 137 8.535 8.493 0.042 1
1 1682 . 17 1 1 A 137 137 ARG CA C 137 56.339 55.757 0.582 1
1 1683 . 17 1 1 A 137 137 ARG HA H 137 4.402 4.220 0.182 1
1 1684 . 17 1 1 A 137 137 ARG CB C 137 30.696 31.053 -0.357 1
1 1695 . 17 1 1 A 137 137 ARG C C 137 176.646 177.096 -0.450 1
1 1696 . 17 1 1 A 138 138 ALA N N 138 126.694 124.999 1.695 1
1 1697 . 17 1 1 A 138 138 ALA H H 138 8.353 8.261 0.092 1
1 1698 . 17 1 1 A 138 138 ALA CA C 138 52.808 54.011 -1.203 1
1 1699 . 17 1 1 A 138 138 ALA HA H 138 4.134 4.037 0.097 1
1 1700 . 17 1 1 A 138 138 ALA CB C 138 19.536 18.888 0.648 1
1 1704 . 17 1 1 A 138 138 ALA C C 138 177.637 179.618 -1.981 1
1 1705 . 17 1 1 A 139 139 GLU N N 139 119.890 116.568 3.322 1
1 1706 . 17 1 1 A 139 139 GLU H H 139 8.615 8.118 0.497 1
1 1707 . 17 1 1 A 139 139 GLU CA C 139 56.586 59.243 -2.657 1
1 1708 . 17 1 1 A 139 139 GLU HA H 139 4.268 4.052 0.216 1
1 1709 . 17 1 1 A 139 139 GLU CB C 139 30.137 29.210 0.927 1
1 1715 . 17 1 1 A 139 139 GLU C C 139 176.488 179.089 -2.601 1
1 1716 . 17 1 1 A 140 140 LEU N N 140 123.350 121.041 2.309 1
1 1717 . 17 1 1 A 140 140 LEU H H 140 8.224 8.153 0.071 1
1 1718 . 17 1 1 A 140 140 LEU CA C 140 55.185 57.602 -2.417 1
1 1719 . 17 1 1 A 140 140 LEU HA H 140 4.339 3.955 0.384 1
1 1720 . 17 1 1 A 140 140 LEU CB C 140 42.294 41.788 0.506 1
1 1733 . 17 1 1 A 140 140 LEU C C 140 177.456 178.223 -0.767 1
1 1734 . 17 1 1 A 141 141 LYS N N 141 122.155 118.680 3.475 1
1 1735 . 17 1 1 A 141 141 LYS H H 141 8.239 7.639 0.600 1
1 1736 . 17 1 1 A 141 141 LYS CA C 141 56.480 56.836 -0.356 1
1 1737 . 17 1 1 A 141 141 LYS HA H 141 4.309 4.276 0.033 1
1 1738 . 17 1 1 A 141 141 LYS CB C 141 32.976 32.925 0.051 1
1 1750 . 17 1 1 A 141 141 LYS C C 141 176.734 175.501 1.233 1
1 1751 . 17 1 1 A 142 142 SER N N 142 116.816 119.700 -2.884 1
1 1752 . 17 1 1 A 142 142 SER H H 142 8.369 8.625 -0.256 1
1 1753 . 17 1 1 A 142 142 SER CA C 142 58.425 57.662 0.763 1
1 1754 . 17 1 1 A 142 142 SER HA H 142 4.529 4.886 -0.357 1
1 1755 . 17 1 1 A 142 142 SER CB C 142 63.836 66.449 -2.613 1
1 1758 . 17 1 1 A 142 142 SER C C 142 175.185 172.266 2.919 1
1 1759 . 17 1 1 A 143 143 THR N N 143 115.566 115.795 -0.229 1
1 1760 . 17 1 1 A 143 143 THR H H 143 8.235 8.873 -0.638 1
1 1761 . 17 1 1 A 143 143 THR CA C 143 61.999 62.372 -0.373 1
1 1762 . 17 1 1 A 143 143 THR HA H 143 4.389 4.593 -0.204 1
1 1763 . 17 1 1 A 143 143 THR CB C 143 69.634 68.792 0.842 1
1 1769 . 17 1 1 A 143 143 THR C C 143 174.937 174.647 0.290 1
1 1770 . 17 1 1 A 144 144 GLN N N 144 122.469 128.012 -5.543 1
1 1771 . 17 1 1 A 144 144 GLN H H 144 8.345 9.099 -0.754 1
1 1772 . 17 1 1 A 144 144 GLN CA C 144 56.480 56.989 -0.509 1
1 1773 . 17 1 1 A 144 144 GLN HA H 144 4.307 4.219 0.088 1
1 1774 . 17 1 1 A 144 144 GLN CB C 144 29.307 30.095 -0.788 1
1 1783 . 17 1 1 A 144 144 GLN C C 144 176.536 175.996 0.540 1
1 1784 . 17 1 1 A 145 145 GLY N N 145 110.021 107.455 2.566 1
1 1785 . 17 1 1 A 145 145 GLY H H 145 8.461 7.756 0.705 1
1 1786 . 17 1 1 A 145 145 GLY CA C 145 45.355 45.173 0.182 1
1 1787 . 17 1 1 A 145 145 GLY HA2 H 145 3.967 4.066 -0.099 1
1 1788 . 17 1 1 A 145 145 GLY HA3 H 145 3.967 4.067 -0.100 1
1 1789 . 17 1 1 A 145 145 GLY C C 145 174.123 174.246 -0.123 1
1 1790 . 17 1 1 A 146 146 MET N N 146 119.836 120.477 -0.641 1
1 1791 . 17 1 1 A 146 146 MET H H 146 8.197 7.987 0.210 1
1 1792 . 17 1 1 A 146 146 MET CA C 146 55.594 54.433 1.161 1
1 1793 . 17 1 1 A 146 146 MET HA H 146 4.538 4.790 -0.252 1
1 1794 . 17 1 1 A 146 146 MET CB C 146 33.090 34.898 -1.808 1
1 1804 . 17 1 1 A 146 146 MET C C 146 176.454 175.900 0.554 1
1 1805 . 17 1 1 A 147 147 THR N N 147 116.248 120.414 -4.166 1
1 1806 . 17 1 1 A 147 147 THR H H 147 8.239 8.627 -0.388 1
1 1807 . 17 1 1 A 147 147 THR CA C 147 61.959 63.047 -1.088 1
1 1808 . 17 1 1 A 147 147 THR HA H 147 4.318 4.411 -0.093 1
1 1809 . 17 1 1 A 147 147 THR CB C 147 69.875 69.699 0.176 1
1 1815 . 17 1 1 A 147 147 THR C C 147 174.141 173.554 0.587 1
1 1816 . 17 1 1 A 148 148 LYS N N 148 125.399 122.773 2.626 1
1 1817 . 17 1 1 A 148 148 LYS H H 148 8.387 8.855 -0.468 1
1 1818 . 17 1 1 A 148 148 LYS CA C 148 54.186 53.356 0.830 1
1 1819 . 17 1 1 A 148 148 LYS HA H 148 4.617 4.875 -0.258 1
1 1820 . 17 1 1 A 148 148 LYS CB C 148 32.651 34.633 -1.982 1
1 1832 . 17 1 1 A 148 148 LYS C C 148 174.388 174.680 -0.292 1
1 1833 . 17 1 1 A 149 149 PRO CA C 149 63.178 62.283 0.895 1
1 1834 . 17 1 1 A 149 149 PRO HA H 149 4.406 4.493 -0.087 1
1 1835 . 17 1 1 A 149 149 PRO CB C 149 32.164 32.489 -0.325 1
1 1844 . 17 1 1 A 150 150 HIS CA C 150 56.264 56.471 -0.207 1
1 1845 . 17 1 1 A 150 150 HIS HA H 150 4.626 4.431 0.195 1
1 1846 . 17 1 1 A 150 150 HIS CB C 150 30.574 29.875 0.699 1
1 1852 . 17 1 1 A 151 151 SER CA C 151 58.018 59.351 -1.333 1
1 1853 . 17 1 1 A 151 151 SER HA H 151 4.475 4.263 0.212 1
1 1854 . 17 1 1 A 151 151 SER CB C 151 64.139 64.232 -0.093 1
1 1856 . 17 1 1 A 151 151 SER C C 151 174.253 174.269 -0.016 1
1 1857 . 17 1 1 A 152 152 GLY N N 152 110.964 109.646 1.318 1
1 1858 . 17 1 1 A 152 152 GLY H H 152 8.276 8.365 -0.089 1
1 1859 . 17 1 1 A 152 152 GLY CA C 152 44.637 45.652 -1.015 1
1 1860 . 17 1 1 A 152 152 GLY HA2 H 152 4.120 4.342 -0.222 1
1 1861 . 17 1 1 A 152 152 GLY HA3 H 152 4.120 4.347 -0.227 1
1 1862 . 17 1 1 A 152 152 GLY C C 152 171.668 172.291 -0.623 1
1 1863 . 17 1 1 A 153 153 PRO CA C 153 63.147 62.255 0.892 1
1 1864 . 17 1 1 A 153 153 PRO HA H 153 4.425 4.611 -0.186 1
1 1865 . 17 1 1 A 153 153 PRO CB C 153 32.149 29.910 2.239 1
1 1874 . 17 1 1 A 153 153 PRO C C 153 176.656 177.104 -0.448 1
1 1875 . 17 1 1 A 154 154 ASP N N 154 120.420 123.968 -3.548 1
1 1876 . 17 1 1 A 154 154 ASP H H 154 8.463 8.451 0.012 1
1 1877 . 17 1 1 A 154 154 ASP CA C 154 54.429 57.458 -3.029 1
1 1878 . 17 1 1 A 154 154 ASP HA H 154 4.575 4.322 0.253 1
1 1879 . 17 1 1 A 154 154 ASP CB C 154 40.979 40.376 0.603 1
1 1882 . 17 1 1 A 154 154 ASP C C 154 176.163 178.527 -2.364 1
1 1883 . 17 1 1 A 155 155 LEU N N 155 123.563 120.769 2.794 1
1 1884 . 17 1 1 A 155 155 LEU H H 155 8.266 8.242 0.024 1
1 1885 . 17 1 1 A 155 155 LEU CA C 155 55.022 58.261 -3.239 1
1 1886 . 17 1 1 A 155 155 LEU HA H 155 4.358 3.943 0.415 1
1 1887 . 17 1 1 A 155 155 LEU CB C 155 42.157 42.068 0.089 1
1 1900 . 17 1 1 A 155 155 LEU C C 155 176.990 178.855 -1.865 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.655 56.933 1.722 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.501 5.474 -0.973 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.644 66.539 -2.895 1
1 6 . 18 1 1 A 6 6 SER C C 6 175.063 173.284 1.779 1
1 7 . 18 1 1 A 7 7 GLY N N 7 111.113 109.867 1.246 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.473 8.378 0.095 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.373 45.867 -0.494 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 3.967 4.200 -0.233 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 3.967 4.200 -0.233 1
1 12 . 18 1 1 A 7 7 GLY C C 7 173.934 172.647 1.287 1
1 13 . 18 1 1 A 8 8 ALA N N 8 123.788 121.717 2.071 1
1 14 . 18 1 1 A 8 8 ALA H H 8 8.197 8.292 -0.095 1
1 15 . 18 1 1 A 8 8 ALA CA C 8 52.548 50.799 1.749 1
1 16 . 18 1 1 A 8 8 ALA HA H 8 4.342 4.705 -0.363 1
1 17 . 18 1 1 A 8 8 ALA CB C 8 19.403 19.261 0.142 1
1 21 . 18 1 1 A 8 8 ALA C C 8 177.902 176.878 1.024 1
1 22 . 18 1 1 A 9 9 GLU N N 9 120.004 118.778 1.226 1
1 23 . 18 1 1 A 9 9 GLU H H 9 8.524 7.779 0.745 1
1 24 . 18 1 1 A 9 9 GLU CA C 9 56.763 55.074 1.689 1
1 25 . 18 1 1 A 9 9 GLU HA H 9 4.308 4.634 -0.326 1
1 26 . 18 1 1 A 9 9 GLU CB C 9 30.161 30.073 0.088 1
1 32 . 18 1 1 A 9 9 GLU C C 9 176.646 175.845 0.801 1
1 33 . 18 1 1 A 10 10 SER N N 10 116.268 120.251 -3.983 1
1 34 . 18 1 1 A 10 10 SER H H 10 8.305 8.770 -0.465 1
1 35 . 18 1 1 A 10 10 SER CA C 10 58.426 59.245 -0.819 1
1 36 . 18 1 1 A 10 10 SER HA H 10 4.429 4.384 0.045 1
1 37 . 18 1 1 A 10 10 SER CB C 10 63.933 63.518 0.415 1
1 40 . 18 1 1 A 10 10 SER C C 10 174.267 174.709 -0.442 1
1 41 . 18 1 1 A 11 11 GLU N N 11 122.435 124.254 -1.819 1
1 42 . 18 1 1 A 11 11 GLU H H 11 8.368 8.888 -0.520 1
1 43 . 18 1 1 A 11 11 GLU CA C 11 56.233 54.310 1.923 1
1 44 . 18 1 1 A 11 11 GLU HA H 11 4.367 4.858 -0.491 1
1 45 . 18 1 1 A 11 11 GLU CB C 11 30.692 33.533 -2.841 1
1 51 . 18 1 1 A 11 11 GLU C C 11 175.800 175.333 0.467 1
1 52 . 18 1 1 A 12 12 SER N N 12 116.596 113.694 2.902 1
1 53 . 18 1 1 A 12 12 SER H H 12 8.299 8.507 -0.208 1
1 54 . 18 1 1 A 12 12 SER CA C 12 58.355 56.655 1.700 1
1 55 . 18 1 1 A 12 12 SER HA H 12 4.457 5.345 -0.888 1
1 56 . 18 1 1 A 12 12 SER CB C 12 64.573 65.805 -1.232 1
1 59 . 18 1 1 A 12 12 SER C C 12 173.309 174.015 -0.706 1
1 60 . 18 1 1 A 13 13 PHE N N 13 121.293 119.355 1.938 1
1 61 . 18 1 1 A 13 13 PHE H H 13 8.346 9.002 -0.656 1
1 62 . 18 1 1 A 13 13 PHE CA C 13 56.851 56.446 0.405 1
1 63 . 18 1 1 A 13 13 PHE HA H 13 5.384 5.368 0.016 1
1 64 . 18 1 1 A 13 13 PHE CB C 13 42.542 43.399 -0.857 1
1 77 . 18 1 1 A 13 13 PHE C C 13 174.500 174.776 -0.276 1
1 78 . 18 1 1 A 14 14 VAL N N 14 116.020 116.167 -0.147 1
1 79 . 18 1 1 A 14 14 VAL H H 14 9.313 9.142 0.171 1
1 80 . 18 1 1 A 14 14 VAL CA C 14 60.141 59.479 0.662 1
1 81 . 18 1 1 A 14 14 VAL HA H 14 4.455 4.947 -0.492 1
1 82 . 18 1 1 A 14 14 VAL CB C 14 36.318 36.333 -0.015 1
1 92 . 18 1 1 A 14 14 VAL C C 14 174.668 174.443 0.225 1
1 93 . 18 1 1 A 15 15 LEU N N 15 121.725 121.674 0.051 1
1 94 . 18 1 1 A 15 15 LEU H H 15 8.476 8.522 -0.046 1
1 95 . 18 1 1 A 15 15 LEU CA C 15 54.800 52.881 1.919 1
1 96 . 18 1 1 A 15 15 LEU HA H 15 4.403 4.809 -0.406 1
1 97 . 18 1 1 A 15 15 LEU CB C 15 39.816 43.605 -3.789 1
1 110 . 18 1 1 A 15 15 LEU C C 15 177.001 176.327 0.674 1
1 111 . 18 1 1 A 16 16 ASP N N 16 126.576 124.559 2.017 1
1 112 . 18 1 1 A 16 16 ASP H H 16 8.766 8.244 0.522 1
1 113 . 18 1 1 A 16 16 ASP CA C 16 52.828 53.250 -0.422 1
1 114 . 18 1 1 A 16 16 ASP HA H 16 5.081 4.798 0.283 1
1 115 . 18 1 1 A 16 16 ASP CB C 16 42.268 41.334 0.934 1
1 118 . 18 1 1 A 16 16 ASP C C 16 174.640 175.470 -0.830 1
1 119 . 18 1 1 A 17 17 PHE N N 17 112.958 117.846 -4.888 1
1 120 . 18 1 1 A 17 17 PHE H H 17 6.915 6.999 -0.084 1
1 121 . 18 1 1 A 17 17 PHE CA C 17 55.489 56.068 -0.579 1
1 122 . 18 1 1 A 17 17 PHE HA H 17 4.938 5.161 -0.223 1
1 123 . 18 1 1 A 17 17 PHE CB C 17 39.154 41.741 -2.587 1
1 136 . 18 1 1 A 17 17 PHE C C 17 173.746 173.392 0.354 1
1 137 . 18 1 1 A 18 18 SER N N 18 114.977 117.384 -2.407 1
1 138 . 18 1 1 A 18 18 SER H H 18 8.569 8.952 -0.383 1
1 139 . 18 1 1 A 18 18 SER CA C 18 57.046 58.558 -1.512 1
1 140 . 18 1 1 A 18 18 SER HA H 18 4.670 4.687 -0.017 1
1 141 . 18 1 1 A 18 18 SER CB C 18 63.974 63.890 0.084 1
1 144 . 18 1 1 A 18 18 SER C C 18 175.437 175.185 0.252 1
1 145 . 18 1 1 A 19 19 GLN N N 19 123.586 123.156 0.430 1
1 146 . 18 1 1 A 19 19 GLN H H 19 9.033 8.758 0.275 1
1 147 . 18 1 1 A 19 19 GLN CA C 19 54.023 54.912 -0.889 1
1 148 . 18 1 1 A 19 19 GLN HA H 19 4.558 4.588 -0.030 1
1 149 . 18 1 1 A 19 19 GLN CB C 19 27.994 28.522 -0.528 1
1 158 . 18 1 1 A 19 19 GLN C C 19 177.642 176.285 1.357 1
1 159 . 18 1 1 A 20 20 PRO CA C 20 65.836 65.266 0.570 1
1 160 . 18 1 1 A 20 20 PRO HA H 20 4.370 4.482 -0.112 1
1 161 . 18 1 1 A 20 20 PRO CB C 20 32.556 32.196 0.360 1
1 170 . 18 1 1 A 20 20 PRO C C 20 178.374 178.561 -0.187 1
1 171 . 18 1 1 A 21 21 SER N N 21 104.386 112.516 -8.130 1
1 172 . 18 1 1 A 21 21 SER H H 21 7.216 8.042 -0.826 1
1 173 . 18 1 1 A 21 21 SER CA C 21 58.886 61.465 -2.579 1
1 174 . 18 1 1 A 21 21 SER HA H 21 3.271 4.016 -0.745 1
1 175 . 18 1 1 A 21 21 SER CB C 21 62.401 62.574 -0.173 1
1 178 . 18 1 1 A 21 21 SER C C 21 174.423 176.977 -2.554 1
1 179 . 18 1 1 A 22 22 ALA N N 22 123.008 122.523 0.485 1
1 180 . 18 1 1 A 22 22 ALA H H 22 7.700 7.923 -0.223 1
1 181 . 18 1 1 A 22 22 ALA CA C 22 53.968 55.493 -1.525 1
1 182 . 18 1 1 A 22 22 ALA HA H 22 4.198 4.127 0.071 1
1 183 . 18 1 1 A 22 22 ALA CB C 22 18.504 19.001 -0.497 1
1 187 . 18 1 1 A 22 22 ALA C C 22 177.624 177.604 0.020 1
1 188 . 18 1 1 A 23 23 ASP N N 23 117.789 117.864 -0.075 1
1 189 . 18 1 1 A 23 23 ASP H H 23 7.080 8.129 -1.049 1
1 190 . 18 1 1 A 23 23 ASP CA C 23 52.151 53.157 -1.006 1
1 191 . 18 1 1 A 23 23 ASP HA H 23 4.893 4.930 -0.037 1
1 192 . 18 1 1 A 23 23 ASP CB C 23 40.592 40.932 -0.340 1
1 195 . 18 1 1 A 23 23 ASP C C 23 175.032 175.897 -0.865 1
1 196 . 18 1 1 A 24 24 TYR N N 24 123.295 126.438 -3.143 1
1 197 . 18 1 1 A 24 24 TYR H H 24 8.217 8.997 -0.780 1
1 198 . 18 1 1 A 24 24 TYR CA C 24 61.711 61.696 0.015 1
1 199 . 18 1 1 A 24 24 TYR HA H 24 4.196 4.063 0.133 1
1 200 . 18 1 1 A 24 24 TYR CB C 24 38.456 38.924 -0.468 1
1 211 . 18 1 1 A 24 24 TYR C C 24 177.434 177.221 0.213 1
1 212 . 18 1 1 A 25 25 LEU N N 25 119.429 120.851 -1.422 1
1 213 . 18 1 1 A 25 25 LEU H H 25 8.074 8.427 -0.353 1
1 214 . 18 1 1 A 25 25 LEU CA C 25 57.691 58.321 -0.630 1
1 215 . 18 1 1 A 25 25 LEU HA H 25 3.967 3.860 0.107 1
1 216 . 18 1 1 A 25 25 LEU CB C 25 41.388 41.520 -0.132 1
1 229 . 18 1 1 A 25 25 LEU C C 25 178.768 178.386 0.382 1
1 230 . 18 1 1 A 26 26 ASP N N 26 119.881 118.669 1.212 1
1 231 . 18 1 1 A 26 26 ASP H H 26 7.561 8.296 -0.735 1
1 232 . 18 1 1 A 26 26 ASP CA C 26 57.625 56.629 0.996 1
1 233 . 18 1 1 A 26 26 ASP HA H 26 4.367 4.454 -0.087 1
1 234 . 18 1 1 A 26 26 ASP CB C 26 42.955 41.242 1.713 1
1 237 . 18 1 1 A 26 26 ASP C C 26 177.657 177.978 -0.321 1
1 238 . 18 1 1 A 27 27 PHE N N 27 118.946 120.341 -1.395 1
1 239 . 18 1 1 A 27 27 PHE H H 27 8.750 8.096 0.654 1
1 240 . 18 1 1 A 27 27 PHE CA C 27 61.323 61.085 0.238 1
1 241 . 18 1 1 A 27 27 PHE HA H 27 4.088 4.133 -0.045 1
1 242 . 18 1 1 A 27 27 PHE CB C 27 39.606 39.453 0.153 1
1 255 . 18 1 1 A 27 27 PHE C C 27 176.662 177.439 -0.777 1
1 256 . 18 1 1 A 28 28 ARG N N 28 116.744 118.838 -2.094 1
1 257 . 18 1 1 A 28 28 ARG H H 28 8.079 8.303 -0.224 1
1 258 . 18 1 1 A 28 28 ARG CA C 28 59.051 58.762 0.289 1
1 259 . 18 1 1 A 28 28 ARG HA H 28 3.590 4.038 -0.448 1
1 260 . 18 1 1 A 28 28 ARG CB C 28 29.516 30.054 -0.538 1
1 269 . 18 1 1 A 28 28 ARG C C 28 179.306 178.364 0.942 1
1 270 . 18 1 1 A 29 29 ASN N N 29 119.381 117.812 1.569 1
1 271 . 18 1 1 A 29 29 ASN H H 29 8.106 8.283 -0.177 1
1 272 . 18 1 1 A 29 29 ASN CA C 29 55.861 55.710 0.151 1
1 273 . 18 1 1 A 29 29 ASN HA H 29 4.361 4.374 -0.013 1
1 274 . 18 1 1 A 29 29 ASN CB C 29 37.622 38.280 -0.658 1
1 280 . 18 1 1 A 29 29 ASN C C 29 178.555 178.321 0.234 1
1 281 . 18 1 1 A 30 30 ARG N N 30 123.244 120.064 3.180 1
1 282 . 18 1 1 A 30 30 ARG H H 30 8.640 7.696 0.944 1
1 283 . 18 1 1 A 30 30 ARG CA C 30 59.708 58.561 1.147 1
1 284 . 18 1 1 A 30 30 ARG HA H 30 3.912 4.007 -0.095 1
1 285 . 18 1 1 A 30 30 ARG CB C 30 30.910 30.013 0.897 1
1 296 . 18 1 1 A 30 30 ARG C C 30 178.651 178.719 -0.068 1
1 297 . 18 1 1 A 31 31 LEU N N 31 119.911 121.194 -1.283 1
1 298 . 18 1 1 A 31 31 LEU H H 31 7.988 7.480 0.508 1
1 299 . 18 1 1 A 31 31 LEU CA C 31 58.049 56.491 1.558 1
1 300 . 18 1 1 A 31 31 LEU HA H 31 3.409 3.974 -0.565 1
1 301 . 18 1 1 A 31 31 LEU CB C 31 41.342 41.590 -0.248 1
1 314 . 18 1 1 A 31 31 LEU C C 31 178.698 178.001 0.697 1
1 315 . 18 1 1 A 32 32 GLN N N 32 114.904 117.965 -3.061 1
1 316 . 18 1 1 A 32 32 GLN H H 32 7.416 7.933 -0.517 1
1 317 . 18 1 1 A 32 32 GLN CA C 32 58.019 57.162 0.857 1
1 318 . 18 1 1 A 32 32 GLN HA H 32 3.891 4.250 -0.359 1
1 319 . 18 1 1 A 32 32 GLN CB C 32 28.679 29.410 -0.731 1
1 328 . 18 1 1 A 32 32 GLN C C 32 176.457 176.833 -0.376 1
1 329 . 18 1 1 A 33 33 ALA N N 33 119.088 120.703 -1.615 1
1 330 . 18 1 1 A 33 33 ALA H H 33 7.791 7.691 0.100 1
1 331 . 18 1 1 A 33 33 ALA CA C 33 54.057 53.120 0.937 1
1 332 . 18 1 1 A 33 33 ALA HA H 33 4.099 4.075 0.024 1
1 333 . 18 1 1 A 33 33 ALA CB C 33 19.921 19.206 0.715 1
1 337 . 18 1 1 A 33 33 ALA C C 33 178.303 177.576 0.727 1
1 338 . 18 1 1 A 34 34 ASP N N 34 115.377 116.557 -1.180 1
1 339 . 18 1 1 A 34 34 ASP H H 34 8.662 7.801 0.861 1
1 340 . 18 1 1 A 34 34 ASP CA C 34 55.153 53.434 1.719 1
1 341 . 18 1 1 A 34 34 ASP HA H 34 4.698 4.604 0.094 1
1 342 . 18 1 1 A 34 34 ASP CB C 34 41.976 41.314 0.662 1
1 345 . 18 1 1 A 34 34 ASP C C 34 177.531 175.331 2.200 1
1 346 . 18 1 1 A 35 35 HIS N N 35 108.110 116.095 -7.985 1
1 347 . 18 1 1 A 35 35 HIS H H 35 7.018 7.696 -0.678 1
1 348 . 18 1 1 A 35 35 HIS CA C 35 58.336 56.911 1.425 1
1 349 . 18 1 1 A 35 35 HIS HA H 35 4.543 4.418 0.125 1
1 350 . 18 1 1 A 35 35 HIS CB C 35 26.472 26.582 -0.110 1
1 357 . 18 1 1 A 35 35 HIS C C 35 171.507 173.480 -1.973 1
1 358 . 18 1 1 A 36 36 VAL N N 36 115.529 116.724 -1.195 1
1 359 . 18 1 1 A 36 36 VAL H H 36 7.065 7.059 0.006 1
1 360 . 18 1 1 A 36 36 VAL CA C 36 58.549 60.804 -2.255 1
1 361 . 18 1 1 A 36 36 VAL HA H 36 4.867 4.409 0.458 1
1 362 . 18 1 1 A 36 36 VAL CB C 36 33.135 34.336 -1.201 1
1 372 . 18 1 1 A 36 36 VAL C C 36 171.953 173.598 -1.645 1
1 373 . 18 1 1 A 37 37 CYS N N 37 124.685 124.554 0.131 1
1 374 . 18 1 1 A 37 37 CYS H H 37 8.694 8.234 0.460 1
1 375 . 18 1 1 A 37 37 CYS CA C 37 59.979 58.533 1.446 1
1 376 . 18 1 1 A 37 37 CYS HA H 37 4.594 5.094 -0.500 1
1 377 . 18 1 1 A 37 37 CYS CB C 37 29.016 31.108 -2.092 1
1 380 . 18 1 1 A 37 37 CYS C C 37 173.445 172.581 0.864 1
1 381 . 18 1 1 A 38 38 LEU N N 38 132.291 125.950 6.341 1
1 382 . 18 1 1 A 38 38 LEU H H 38 9.625 8.727 0.898 1
1 383 . 18 1 1 A 38 38 LEU CA C 38 57.958 54.294 3.664 1
1 384 . 18 1 1 A 38 38 LEU HA H 38 4.167 4.877 -0.710 1
1 385 . 18 1 1 A 38 38 LEU CB C 38 42.189 43.863 -1.674 1
1 398 . 18 1 1 A 38 38 LEU C C 38 173.188 176.957 -3.769 1
1 399 . 18 1 1 A 39 39 GLU N N 39 127.988 127.373 0.615 1
1 400 . 18 1 1 A 39 39 GLU H H 39 9.267 9.256 0.011 1
1 401 . 18 1 1 A 39 39 GLU CA C 39 57.435 58.553 -1.118 1
1 402 . 18 1 1 A 39 39 GLU HA H 39 4.521 4.505 0.016 1
1 403 . 18 1 1 A 39 39 GLU CB C 39 31.891 30.287 1.604 1
1 409 . 18 1 1 A 39 39 GLU C C 39 175.300 176.464 -1.164 1
1 410 . 18 1 1 A 40 40 ASN N N 40 115.109 113.267 1.842 1
1 411 . 18 1 1 A 40 40 ASN H H 40 7.757 7.793 -0.036 1
1 412 . 18 1 1 A 40 40 ASN CA C 40 52.151 51.760 0.391 1
1 413 . 18 1 1 A 40 40 ASN HA H 40 5.353 5.359 -0.006 1
1 414 . 18 1 1 A 40 40 ASN CB C 40 43.324 41.713 1.611 1
1 420 . 18 1 1 A 40 40 ASN C C 40 173.918 173.320 0.598 1
1 421 . 18 1 1 A 41 41 CYS N N 41 120.861 119.958 0.903 1
1 422 . 18 1 1 A 41 41 CYS H H 41 9.646 9.158 0.488 1
1 423 . 18 1 1 A 41 41 CYS CA C 41 58.934 57.408 1.526 1
1 424 . 18 1 1 A 41 41 CYS HA H 41 5.167 5.129 0.038 1
1 425 . 18 1 1 A 41 41 CYS CB C 41 30.293 29.936 0.357 1
1 428 . 18 1 1 A 41 41 CYS C C 41 171.600 173.762 -2.162 1
1 429 . 18 1 1 A 42 42 VAL N N 42 126.721 123.657 3.064 1
1 430 . 18 1 1 A 42 42 VAL H H 42 9.532 8.921 0.611 1
1 431 . 18 1 1 A 42 42 VAL CA C 42 60.463 60.178 0.285 1
1 432 . 18 1 1 A 42 42 VAL HA H 42 4.454 4.938 -0.484 1
1 433 . 18 1 1 A 42 42 VAL CB C 42 35.496 33.770 1.726 1
1 443 . 18 1 1 A 42 42 VAL C C 42 173.645 174.247 -0.602 1
1 444 . 18 1 1 A 43 43 LEU N N 43 127.183 123.364 3.819 1
1 445 . 18 1 1 A 43 43 LEU H H 43 8.597 8.700 -0.103 1
1 446 . 18 1 1 A 43 43 LEU CA C 43 54.209 53.569 0.640 1
1 447 . 18 1 1 A 43 43 LEU HA H 43 5.050 5.155 -0.105 1
1 448 . 18 1 1 A 43 43 LEU CB C 43 43.450 46.408 -2.958 1
1 461 . 18 1 1 A 43 43 LEU C C 43 176.151 174.607 1.544 1
1 462 . 18 1 1 A 44 44 LYS N N 44 127.086 124.803 2.283 1
1 463 . 18 1 1 A 44 44 LYS H H 44 8.726 9.049 -0.323 1
1 464 . 18 1 1 A 44 44 LYS CA C 44 55.033 54.215 0.818 1
1 465 . 18 1 1 A 44 44 LYS HA H 44 4.552 4.835 -0.283 1
1 466 . 18 1 1 A 44 44 LYS CB C 44 34.147 36.058 -1.911 1
1 478 . 18 1 1 A 44 44 LYS C C 44 175.176 176.068 -0.892 1
1 479 . 18 1 1 A 45 45 ASP N N 45 123.045 120.471 2.574 1
1 480 . 18 1 1 A 45 45 ASP H H 45 8.876 8.684 0.192 1
1 481 . 18 1 1 A 45 45 ASP CA C 45 56.515 55.081 1.434 1
1 482 . 18 1 1 A 45 45 ASP HA H 45 4.321 4.365 -0.044 1
1 483 . 18 1 1 A 45 45 ASP CB C 45 39.782 40.553 -0.771 1
1 486 . 18 1 1 A 45 45 ASP C C 45 175.339 176.613 -1.274 1
1 487 . 18 1 1 A 46 46 LYS N N 46 118.201 120.754 -2.553 1
1 488 . 18 1 1 A 46 46 LYS H H 46 8.620 9.056 -0.436 1
1 489 . 18 1 1 A 46 46 LYS CA C 46 56.158 57.197 -1.039 1
1 490 . 18 1 1 A 46 46 LYS HA H 46 4.079 3.815 0.264 1
1 491 . 18 1 1 A 46 46 LYS CB C 46 30.929 29.898 1.031 1
1 503 . 18 1 1 A 46 46 LYS C C 46 174.615 175.134 -0.519 1
1 504 . 18 1 1 A 47 47 ALA N N 47 121.283 117.699 3.584 1
1 505 . 18 1 1 A 47 47 ALA H H 47 7.611 7.189 0.422 1
1 506 . 18 1 1 A 47 47 ALA CA C 47 51.809 51.627 0.182 1
1 507 . 18 1 1 A 47 47 ALA HA H 47 5.105 4.862 0.243 1
1 508 . 18 1 1 A 47 47 ALA CB C 47 22.739 23.010 -0.271 1
1 512 . 18 1 1 A 47 47 ALA C C 47 175.508 175.143 0.365 1
1 513 . 18 1 1 A 48 48 ILE N N 48 114.639 114.590 0.049 1
1 514 . 18 1 1 A 48 48 ILE H H 48 8.819 8.418 0.401 1
1 515 . 18 1 1 A 48 48 ILE CA C 48 59.017 59.353 -0.336 1
1 516 . 18 1 1 A 48 48 ILE HA H 48 5.230 5.112 0.118 1
1 517 . 18 1 1 A 48 48 ILE CB C 48 41.811 42.501 -0.690 1
1 530 . 18 1 1 A 48 48 ILE C C 48 172.954 174.080 -1.126 1
1 531 . 18 1 1 A 49 49 ALA N N 49 126.155 123.017 3.138 1
1 532 . 18 1 1 A 49 49 ALA H H 49 8.652 8.297 0.355 1
1 533 . 18 1 1 A 49 49 ALA CA C 49 50.095 51.309 -1.214 1
1 534 . 18 1 1 A 49 49 ALA HA H 49 4.769 5.023 -0.254 1
1 535 . 18 1 1 A 49 49 ALA CB C 49 22.651 22.179 0.472 1
1 539 . 18 1 1 A 49 49 ALA C C 49 175.812 175.537 0.275 1
1 540 . 18 1 1 A 50 50 GLY N N 50 105.980 107.485 -1.505 1
1 541 . 18 1 1 A 50 50 GLY H H 50 6.754 6.812 -0.058 1
1 542 . 18 1 1 A 50 50 GLY CA C 50 46.134 44.785 1.349 1
1 543 . 18 1 1 A 50 50 GLY HA2 H 50 3.803 3.964 -0.161 1
1 544 . 18 1 1 A 50 50 GLY HA3 H 50 4.077 4.078 -0.001 1
1 545 . 18 1 1 A 50 50 GLY C C 50 172.510 172.178 0.332 1
1 546 . 18 1 1 A 51 51 THR N N 51 108.648 111.563 -2.915 1
1 547 . 18 1 1 A 51 51 THR H H 51 8.556 8.761 -0.205 1
1 548 . 18 1 1 A 51 51 THR CA C 51 59.116 60.288 -1.172 1
1 549 . 18 1 1 A 51 51 THR HA H 51 5.588 5.444 0.144 1
1 550 . 18 1 1 A 51 51 THR CB C 51 72.737 70.475 2.262 1
1 556 . 18 1 1 A 51 51 THR C C 51 174.087 173.879 0.208 1
1 557 . 18 1 1 A 52 52 VAL N N 52 122.025 125.954 -3.929 1
1 558 . 18 1 1 A 52 52 VAL H H 52 9.746 9.447 0.299 1
1 559 . 18 1 1 A 52 52 VAL CA C 52 61.371 61.252 0.119 1
1 560 . 18 1 1 A 52 52 VAL HA H 52 4.463 4.757 -0.294 1
1 561 . 18 1 1 A 52 52 VAL CB C 52 36.986 33.971 3.015 1
1 571 . 18 1 1 A 52 52 VAL C C 52 174.687 174.617 0.070 1
1 572 . 18 1 1 A 53 53 LYS N N 53 125.115 126.982 -1.867 1
1 573 . 18 1 1 A 53 53 LYS H H 53 8.567 9.209 -0.642 1
1 574 . 18 1 1 A 53 53 LYS CA C 53 53.668 54.491 -0.823 1
1 575 . 18 1 1 A 53 53 LYS HA H 53 5.599 5.296 0.303 1
1 576 . 18 1 1 A 53 53 LYS CB C 53 37.855 36.292 1.563 1
1 588 . 18 1 1 A 53 53 LYS C C 53 174.697 174.958 -0.261 1
1 589 . 18 1 1 A 54 54 VAL N N 54 110.661 118.055 -7.394 1
1 590 . 18 1 1 A 54 54 VAL H H 54 8.498 8.886 -0.388 1
1 591 . 18 1 1 A 54 54 VAL CA C 54 57.682 58.802 -1.120 1
1 592 . 18 1 1 A 54 54 VAL HA H 54 4.825 4.666 0.159 1
1 593 . 18 1 1 A 54 54 VAL CB C 54 34.634 35.751 -1.117 1
1 603 . 18 1 1 A 54 54 VAL C C 54 176.105 174.347 1.758 1
1 604 . 18 1 1 A 55 55 GLN N N 55 119.414 120.373 -0.959 1
1 605 . 18 1 1 A 55 55 GLN H H 55 7.924 8.421 -0.497 1
1 606 . 18 1 1 A 55 55 GLN CA C 55 56.023 54.196 1.827 1
1 607 . 18 1 1 A 55 55 GLN HA H 55 4.456 4.735 -0.279 1
1 608 . 18 1 1 A 55 55 GLN CB C 55 30.216 31.018 -0.802 1
1 617 . 18 1 1 A 55 55 GLN C C 55 176.800 175.466 1.334 1
1 618 . 18 1 1 A 56 56 ASN N N 56 125.676 121.131 4.545 1
1 619 . 18 1 1 A 56 56 ASN H H 56 8.837 8.690 0.147 1
1 620 . 18 1 1 A 56 56 ASN CA C 56 53.190 51.959 1.231 1
1 621 . 18 1 1 A 56 56 ASN HA H 56 4.575 4.883 -0.308 1
1 622 . 18 1 1 A 56 56 ASN CB C 56 36.855 36.833 0.022 1
1 628 . 18 1 1 A 56 56 ASN C C 56 174.747 175.916 -1.169 1
1 629 . 18 1 1 A 57 57 LEU N N 57 124.779 125.262 -0.483 1
1 630 . 18 1 1 A 57 57 LEU H H 57 7.284 8.037 -0.753 1
1 631 . 18 1 1 A 57 57 LEU CA C 57 55.224 57.934 -2.710 1
1 632 . 18 1 1 A 57 57 LEU HA H 57 4.326 3.988 0.338 1
1 633 . 18 1 1 A 57 57 LEU CB C 57 43.634 42.023 1.611 1
1 646 . 18 1 1 A 57 57 LEU C C 57 176.186 177.040 -0.854 1
1 647 . 18 1 1 A 58 58 ALA N N 58 119.342 118.846 0.496 1
1 648 . 18 1 1 A 58 58 ALA H H 58 7.724 7.521 0.203 1
1 649 . 18 1 1 A 58 58 ALA CA C 58 51.687 50.241 1.446 1
1 650 . 18 1 1 A 58 58 ALA HA H 58 4.343 4.782 -0.439 1
1 651 . 18 1 1 A 58 58 ALA CB C 58 21.122 21.714 -0.592 1
1 655 . 18 1 1 A 58 58 ALA C C 58 175.847 177.747 -1.900 1
1 656 . 18 1 1 A 59 59 PHE N N 59 118.235 119.013 -0.778 1
1 657 . 18 1 1 A 59 59 PHE H H 59 8.231 9.071 -0.840 1
1 658 . 18 1 1 A 59 59 PHE CA C 59 60.105 61.739 -1.634 1
1 659 . 18 1 1 A 59 59 PHE HA H 59 4.428 4.087 0.341 1
1 660 . 18 1 1 A 59 59 PHE CB C 59 40.386 39.542 0.844 1
1 673 . 18 1 1 A 59 59 PHE C C 59 176.670 175.704 0.966 1
1 674 . 18 1 1 A 60 60 GLU N N 60 120.295 118.149 2.146 1
1 675 . 18 1 1 A 60 60 GLU H H 60 8.482 8.032 0.450 1
1 676 . 18 1 1 A 60 60 GLU CA C 60 57.134 56.886 0.248 1
1 677 . 18 1 1 A 60 60 GLU HA H 60 4.306 4.615 -0.309 1
1 678 . 18 1 1 A 60 60 GLU CB C 60 29.569 30.347 -0.778 1
1 684 . 18 1 1 A 60 60 GLU C C 60 175.584 176.479 -0.895 1
1 685 . 18 1 1 A 61 61 LYS N N 61 123.512 121.245 2.267 1
1 686 . 18 1 1 A 61 61 LYS H H 61 8.377 8.559 -0.182 1
1 687 . 18 1 1 A 61 61 LYS CA C 61 55.939 54.950 0.989 1
1 688 . 18 1 1 A 61 61 LYS HA H 61 5.038 5.210 -0.172 1
1 689 . 18 1 1 A 61 61 LYS CB C 61 37.890 36.669 1.221 1
1 701 . 18 1 1 A 61 61 LYS C C 61 175.510 175.609 -0.099 1
1 702 . 18 1 1 A 62 62 THR N N 62 117.107 117.894 -0.787 1
1 703 . 18 1 1 A 62 62 THR H H 62 8.285 8.511 -0.226 1
1 704 . 18 1 1 A 62 62 THR CA C 62 62.340 61.619 0.721 1
1 705 . 18 1 1 A 62 62 THR HA H 62 4.435 4.778 -0.343 1
1 706 . 18 1 1 A 62 62 THR CB C 62 71.605 70.402 1.203 1
1 712 . 18 1 1 A 62 62 THR C C 62 172.156 173.128 -0.972 1
1 713 . 18 1 1 A 63 63 VAL N N 63 128.402 127.774 0.628 1
1 714 . 18 1 1 A 63 63 VAL H H 63 8.719 8.885 -0.166 1
1 715 . 18 1 1 A 63 63 VAL CA C 63 60.707 61.284 -0.577 1
1 716 . 18 1 1 A 63 63 VAL HA H 63 4.755 4.512 0.243 1
1 717 . 18 1 1 A 63 63 VAL CB C 63 35.210 32.674 2.536 1
1 727 . 18 1 1 A 63 63 VAL C C 63 174.313 175.122 -0.809 1
1 728 . 18 1 1 A 64 64 LYS N N 64 123.629 125.140 -1.511 1
1 729 . 18 1 1 A 64 64 LYS H H 64 8.519 8.507 0.012 1
1 730 . 18 1 1 A 64 64 LYS CA C 64 54.850 54.761 0.089 1
1 731 . 18 1 1 A 64 64 LYS HA H 64 4.997 4.887 0.110 1
1 732 . 18 1 1 A 64 64 LYS CB C 64 37.343 36.272 1.071 1
1 744 . 18 1 1 A 64 64 LYS C C 64 173.348 175.477 -2.129 1
1 745 . 18 1 1 A 65 65 ILE N N 65 119.250 123.620 -4.370 1
1 746 . 18 1 1 A 65 65 ILE H H 65 8.637 8.393 0.244 1
1 747 . 18 1 1 A 65 65 ILE CA C 65 57.894 60.276 -2.382 1
1 748 . 18 1 1 A 65 65 ILE HA H 65 4.451 4.550 -0.099 1
1 749 . 18 1 1 A 65 65 ILE CB C 65 37.638 38.105 -0.467 1
1 762 . 18 1 1 A 65 65 ILE C C 65 174.893 175.255 -0.362 1
1 763 . 18 1 1 A 66 66 ARG N N 66 130.193 127.734 2.459 1
1 764 . 18 1 1 A 66 66 ARG H H 66 9.244 8.663 0.581 1
1 765 . 18 1 1 A 66 66 ARG CA C 66 55.930 54.707 1.223 1
1 766 . 18 1 1 A 66 66 ARG HA H 66 5.440 4.946 0.494 1
1 767 . 18 1 1 A 66 66 ARG CB C 66 31.514 32.212 -0.698 1
1 778 . 18 1 1 A 66 66 ARG C C 66 174.161 174.591 -0.430 1
1 779 . 18 1 1 A 67 67 MET N N 67 128.046 127.390 0.656 1
1 780 . 18 1 1 A 67 67 MET H H 67 9.343 9.214 0.129 1
1 781 . 18 1 1 A 67 67 MET CA C 67 54.217 53.889 0.328 1
1 782 . 18 1 1 A 67 67 MET HA H 67 5.318 5.284 0.034 1
1 783 . 18 1 1 A 67 67 MET CB C 67 37.533 36.005 1.528 1
1 793 . 18 1 1 A 67 67 MET C C 67 173.432 173.951 -0.519 1
1 794 . 18 1 1 A 68 68 THR N N 68 118.404 118.861 -0.457 1
1 795 . 18 1 1 A 68 68 THR H H 68 8.474 8.225 0.249 1
1 796 . 18 1 1 A 68 68 THR CA C 68 58.903 59.058 -0.155 1
1 797 . 18 1 1 A 68 68 THR HA H 68 3.948 4.849 -0.901 1
1 798 . 18 1 1 A 68 68 THR CB C 68 71.091 71.564 -0.473 1
1 804 . 18 1 1 A 68 68 THR C C 68 170.783 172.777 -1.994 1
1 805 . 18 1 1 A 69 69 PHE N N 69 124.029 123.104 0.925 1
1 806 . 18 1 1 A 69 69 PHE H H 69 8.910 9.028 -0.118 1
1 807 . 18 1 1 A 69 69 PHE CA C 69 55.772 57.791 -2.019 1
1 808 . 18 1 1 A 69 69 PHE HA H 69 4.783 4.719 0.064 1
1 809 . 18 1 1 A 69 69 PHE CB C 69 39.748 40.854 -1.106 1
1 822 . 18 1 1 A 69 69 PHE C C 69 174.951 174.951 0.000 1
1 823 . 18 1 1 A 70 70 ASP N N 70 121.457 119.602 1.855 1
1 824 . 18 1 1 A 70 70 ASP H H 70 8.841 7.331 1.510 1
1 825 . 18 1 1 A 70 70 ASP CA C 70 52.288 52.673 -0.385 1
1 826 . 18 1 1 A 70 70 ASP HA H 70 4.661 4.969 -0.308 1
1 827 . 18 1 1 A 70 70 ASP CB C 70 40.026 41.730 -1.704 1
1 830 . 18 1 1 A 70 70 ASP C C 70 177.065 175.833 1.232 1
1 831 . 18 1 1 A 71 71 THR N N 71 114.661 118.398 -3.737 1
1 832 . 18 1 1 A 71 71 THR H H 71 8.724 9.243 -0.519 1
1 833 . 18 1 1 A 71 71 THR CA C 71 63.824 63.098 0.726 1
1 834 . 18 1 1 A 71 71 THR HA H 71 3.181 4.051 -0.870 1
1 835 . 18 1 1 A 71 71 THR CB C 71 66.535 66.982 -0.447 1
1 841 . 18 1 1 A 71 71 THR C C 71 173.648 174.020 -0.372 1
1 842 . 18 1 1 A 72 72 TRP N N 72 111.097 113.131 -2.034 1
1 843 . 18 1 1 A 72 72 TRP H H 72 8.854 8.021 0.833 1
1 844 . 18 1 1 A 72 72 TRP CA C 72 58.910 57.962 0.948 1
1 845 . 18 1 1 A 72 72 TRP HA H 72 3.951 4.302 -0.351 1
1 846 . 18 1 1 A 72 72 TRP CB C 72 24.332 26.678 -2.346 1
1 861 . 18 1 1 A 72 72 TRP C C 72 176.875 176.065 0.810 1
1 862 . 18 1 1 A 73 73 LYS N N 73 124.701 117.989 6.712 1
1 863 . 18 1 1 A 73 73 LYS H H 73 7.785 8.445 -0.660 1
1 864 . 18 1 1 A 73 73 LYS CA C 73 60.463 57.714 2.749 1
1 865 . 18 1 1 A 73 73 LYS HA H 73 4.174 4.387 -0.213 1
1 866 . 18 1 1 A 73 73 LYS CB C 73 31.024 33.641 -2.617 1
1 878 . 18 1 1 A 73 73 LYS C C 73 177.622 176.892 0.730 1
1 879 . 18 1 1 A 74 74 SER N N 74 117.041 111.093 5.948 1
1 880 . 18 1 1 A 74 74 SER H H 74 10.002 7.911 2.091 1
1 881 . 18 1 1 A 74 74 SER CA C 74 57.539 56.848 0.691 1
1 882 . 18 1 1 A 74 74 SER HA H 74 4.556 4.764 -0.208 1
1 883 . 18 1 1 A 74 74 SER CB C 74 66.372 64.855 1.517 1
1 886 . 18 1 1 A 74 74 SER C C 74 171.956 172.001 -0.045 1
1 887 . 18 1 1 A 75 75 TYR N N 75 113.320 125.036 -11.716 1
1 888 . 18 1 1 A 75 75 TYR H H 75 7.735 8.437 -0.702 1
1 889 . 18 1 1 A 75 75 TYR CA C 75 57.155 55.215 1.940 1
1 890 . 18 1 1 A 75 75 TYR HA H 75 5.229 5.689 -0.460 1
1 891 . 18 1 1 A 75 75 TYR CB C 75 40.745 42.096 -1.351 1
1 902 . 18 1 1 A 75 75 TYR C C 75 174.262 174.419 -0.157 1
1 903 . 18 1 1 A 76 76 THR N N 76 117.158 114.511 2.647 1
1 904 . 18 1 1 A 76 76 THR H H 76 9.212 8.362 0.850 1
1 905 . 18 1 1 A 76 76 THR CA C 76 62.104 61.183 0.921 1
1 906 . 18 1 1 A 76 76 THR HA H 76 4.318 4.750 -0.432 1
1 907 . 18 1 1 A 76 76 THR CB C 76 72.675 70.784 1.891 1
1 913 . 18 1 1 A 76 76 THR C C 76 171.344 172.521 -1.177 1
1 914 . 18 1 1 A 77 77 ASP N N 77 125.875 126.346 -0.471 1
1 915 . 18 1 1 A 77 77 ASP H H 77 8.569 8.788 -0.219 1
1 916 . 18 1 1 A 77 77 ASP CA C 77 52.422 53.073 -0.651 1
1 917 . 18 1 1 A 77 77 ASP HA H 77 5.865 4.905 0.960 1
1 918 . 18 1 1 A 77 77 ASP CB C 77 41.512 41.282 0.230 1
1 921 . 18 1 1 A 77 77 ASP C C 77 175.921 175.196 0.725 1
1 922 . 18 1 1 A 78 78 PHE N N 78 125.666 124.134 1.532 1
1 923 . 18 1 1 A 78 78 PHE H H 78 9.992 8.362 1.630 1
1 924 . 18 1 1 A 78 78 PHE CA C 78 55.578 56.173 -0.595 1
1 925 . 18 1 1 A 78 78 PHE HA H 78 4.943 4.916 0.027 1
1 926 . 18 1 1 A 78 78 PHE CB C 78 40.375 40.251 0.124 1
1 939 . 18 1 1 A 78 78 PHE C C 78 173.610 174.093 -0.483 1
1 940 . 18 1 1 A 79 79 PRO CA C 79 63.363 63.084 0.279 1
1 941 . 18 1 1 A 79 79 PRO HA H 79 4.615 4.583 0.032 1
1 942 . 18 1 1 A 79 79 PRO CB C 79 32.787 32.424 0.363 1
1 951 . 18 1 1 A 79 79 PRO C C 79 176.681 176.975 -0.294 1
1 952 . 18 1 1 A 80 80 CYS N N 80 117.289 122.259 -4.970 1
1 953 . 18 1 1 A 80 80 CYS H H 80 8.308 8.013 0.295 1
1 954 . 18 1 1 A 80 80 CYS CA C 80 57.675 60.121 -2.446 1
1 955 . 18 1 1 A 80 80 CYS HA H 80 5.242 4.982 0.260 1
1 956 . 18 1 1 A 80 80 CYS CB C 80 30.658 28.071 2.587 1
1 959 . 18 1 1 A 80 80 CYS C C 80 174.899 175.257 -0.358 1
1 960 . 18 1 1 A 81 81 GLN N N 81 122.188 122.891 -0.703 1
1 961 . 18 1 1 A 81 81 GLN H H 81 9.312 8.977 0.335 1
1 962 . 18 1 1 A 81 81 GLN CA C 81 54.620 55.050 -0.430 1
1 963 . 18 1 1 A 81 81 GLN HA H 81 4.911 4.871 0.040 1
1 964 . 18 1 1 A 81 81 GLN CB C 81 31.213 31.190 0.023 1
1 973 . 18 1 1 A 81 81 GLN C C 81 175.035 174.496 0.539 1
1 974 . 18 1 1 A 82 82 TYR N N 82 125.814 123.351 2.463 1
1 975 . 18 1 1 A 82 82 TYR H H 82 8.919 8.913 0.006 1
1 976 . 18 1 1 A 82 82 TYR CA C 82 58.764 56.169 2.595 1
1 977 . 18 1 1 A 82 82 TYR HA H 82 3.403 5.291 -1.888 1
1 978 . 18 1 1 A 82 82 TYR CB C 82 38.346 41.586 -3.240 1
1 989 . 18 1 1 A 82 82 TYR C C 82 175.413 173.764 1.649 1
1 990 . 18 1 1 A 83 83 VAL N N 83 129.316 127.108 2.208 1
1 991 . 18 1 1 A 83 83 VAL H H 83 7.782 8.436 -0.654 1
1 992 . 18 1 1 A 83 83 VAL CA C 83 61.693 62.085 -0.392 1
1 993 . 18 1 1 A 83 83 VAL HA H 83 3.758 4.327 -0.569 1
1 994 . 18 1 1 A 83 83 VAL CB C 83 32.564 31.271 1.293 1
1 1004 . 18 1 1 A 83 83 VAL C C 83 173.771 176.143 -2.372 1
1 1005 . 18 1 1 A 84 84 LYS N N 84 126.665 122.808 3.857 1
1 1006 . 18 1 1 A 84 84 LYS H H 84 8.174 8.652 -0.478 1
1 1007 . 18 1 1 A 84 84 LYS CA C 84 56.144 56.327 -0.183 1
1 1008 . 18 1 1 A 84 84 LYS HA H 84 4.016 4.748 -0.732 1
1 1009 . 18 1 1 A 84 84 LYS CB C 84 32.170 32.541 -0.371 1
1 1021 . 18 1 1 A 84 84 LYS C C 84 175.610 176.342 -0.732 1
1 1022 . 18 1 1 A 85 85 ASP N N 85 124.262 120.898 3.364 1
1 1023 . 18 1 1 A 85 85 ASP H H 85 7.864 7.468 0.396 1
1 1024 . 18 1 1 A 85 85 ASP CA C 85 53.349 54.419 -1.070 1
1 1025 . 18 1 1 A 85 85 ASP HA H 85 4.678 4.675 0.003 1
1 1026 . 18 1 1 A 85 85 ASP CB C 85 41.683 41.947 -0.264 1
1 1029 . 18 1 1 A 85 85 ASP C C 85 176.841 177.326 -0.485 1
1 1030 . 18 1 1 A 86 86 THR N N 86 113.656 118.842 -5.186 1
1 1031 . 18 1 1 A 86 86 THR H H 86 8.065 8.607 -0.542 1
1 1032 . 18 1 1 A 86 86 THR CA C 86 63.274 64.978 -1.704 1
1 1033 . 18 1 1 A 86 86 THR HA H 86 4.086 4.041 0.045 1
1 1034 . 18 1 1 A 86 86 THR CB C 86 69.257 68.977 0.280 1
1 1040 . 18 1 1 A 86 86 THR C C 86 174.589 175.622 -1.033 1
1 1041 . 18 1 1 A 87 87 TYR N N 87 120.837 121.623 -0.786 1
1 1042 . 18 1 1 A 87 87 TYR H H 87 8.064 7.849 0.215 1
1 1043 . 18 1 1 A 87 87 TYR CA C 87 58.054 57.141 0.913 1
1 1044 . 18 1 1 A 87 87 TYR HA H 87 4.527 4.594 -0.067 1
1 1045 . 18 1 1 A 87 87 TYR CB C 87 38.297 36.998 1.299 1
1 1056 . 18 1 1 A 87 87 TYR C C 87 175.590 174.279 1.311 1
1 1057 . 18 1 1 A 88 88 ALA N N 88 125.226 122.155 3.071 1
1 1058 . 18 1 1 A 88 88 ALA H H 88 7.963 7.639 0.324 1
1 1059 . 18 1 1 A 88 88 ALA CA C 88 53.104 51.121 1.983 1
1 1060 . 18 1 1 A 88 88 ALA HA H 88 4.389 4.854 -0.465 1
1 1061 . 18 1 1 A 88 88 ALA CB C 88 19.127 23.263 -4.136 1
1 1065 . 18 1 1 A 88 88 ALA C C 88 178.497 176.304 2.193 1
1 1066 . 18 1 1 A 89 89 GLY N N 89 109.029 108.503 0.526 1
1 1067 . 18 1 1 A 89 89 GLY H H 89 8.479 8.608 -0.129 1
1 1068 . 18 1 1 A 89 89 GLY CA C 89 45.426 44.589 0.837 1
1 1069 . 18 1 1 A 89 89 GLY HA2 H 89 3.952 4.069 -0.117 1
1 1070 . 18 1 1 A 89 89 GLY HA3 H 89 4.079 4.070 0.009 1
1 1071 . 18 1 1 A 89 89 GLY C C 89 174.563 174.630 -0.067 1
1 1072 . 18 1 1 A 90 90 SER N N 90 115.638 115.396 0.242 1
1 1073 . 18 1 1 A 90 90 SER H H 90 8.232 8.677 -0.445 1
1 1074 . 18 1 1 A 90 90 SER CA C 90 58.443 60.727 -2.284 1
1 1075 . 18 1 1 A 90 90 SER HA H 90 4.574 4.520 0.054 1
1 1076 . 18 1 1 A 90 90 SER CB C 90 63.865 63.933 -0.068 1
1 1079 . 18 1 1 A 90 90 SER C C 90 174.212 175.801 -1.589 1
1 1080 . 18 1 1 A 91 91 ASP N N 91 120.185 121.246 -1.061 1
1 1081 . 18 1 1 A 91 91 ASP H H 91 8.691 8.323 0.368 1
1 1082 . 18 1 1 A 91 91 ASP CA C 91 55.012 57.569 -2.557 1
1 1083 . 18 1 1 A 91 91 ASP HA H 91 4.684 4.369 0.315 1
1 1084 . 18 1 1 A 91 91 ASP CB C 91 40.643 40.544 0.099 1
1 1087 . 18 1 1 A 91 91 ASP C C 91 176.350 177.221 -0.871 1
1 1088 . 18 1 1 A 92 92 ARG N N 92 119.690 118.190 1.500 1
1 1089 . 18 1 1 A 92 92 ARG H H 92 8.072 7.807 0.265 1
1 1090 . 18 1 1 A 92 92 ARG CA C 92 54.941 55.712 -0.771 1
1 1091 . 18 1 1 A 92 92 ARG HA H 92 5.022 4.358 0.664 1
1 1092 . 18 1 1 A 92 92 ARG CB C 92 32.816 30.931 1.885 1
1 1101 . 18 1 1 A 92 92 ARG C C 92 174.072 175.319 -1.247 1
1 1102 . 18 1 1 A 93 93 ASP N N 93 119.716 123.959 -4.243 1
1 1103 . 18 1 1 A 93 93 ASP H H 93 8.550 8.650 -0.100 1
1 1104 . 18 1 1 A 93 93 ASP CA C 93 53.411 54.016 -0.605 1
1 1105 . 18 1 1 A 93 93 ASP HA H 93 5.108 4.716 0.392 1
1 1106 . 18 1 1 A 93 93 ASP CB C 93 46.005 41.192 4.813 1
1 1109 . 18 1 1 A 93 93 ASP C C 93 174.776 175.073 -0.297 1
1 1110 . 18 1 1 A 94 94 THR N N 94 116.481 121.244 -4.763 1
1 1111 . 18 1 1 A 94 94 THR H H 94 8.932 8.473 0.459 1
1 1112 . 18 1 1 A 94 94 THR CA C 94 62.287 61.737 0.550 1
1 1113 . 18 1 1 A 94 94 THR HA H 94 5.232 4.641 0.591 1
1 1114 . 18 1 1 A 94 94 THR CB C 94 70.008 69.246 0.762 1
1 1120 . 18 1 1 A 94 94 THR C C 94 171.982 173.711 -1.729 1
1 1121 . 18 1 1 A 95 95 PHE N N 95 124.488 127.091 -2.603 1
1 1122 . 18 1 1 A 95 95 PHE H H 95 9.347 9.055 0.292 1
1 1123 . 18 1 1 A 95 95 PHE CA C 95 55.834 56.967 -1.133 1
1 1124 . 18 1 1 A 95 95 PHE HA H 95 5.321 5.095 0.226 1
1 1125 . 18 1 1 A 95 95 PHE CB C 95 43.478 41.712 1.766 1
1 1138 . 18 1 1 A 95 95 PHE C C 95 174.780 175.169 -0.389 1
1 1139 . 18 1 1 A 96 96 SER N N 96 117.417 114.237 3.180 1
1 1140 . 18 1 1 A 96 96 SER H H 96 10.108 9.351 0.757 1
1 1141 . 18 1 1 A 96 96 SER CA C 96 56.388 56.138 0.250 1
1 1142 . 18 1 1 A 96 96 SER HA H 96 5.575 5.386 0.189 1
1 1143 . 18 1 1 A 96 96 SER CB C 96 67.188 66.325 0.863 1
1 1146 . 18 1 1 A 96 96 SER C C 96 173.079 173.592 -0.513 1
1 1147 . 18 1 1 A 97 97 PHE N N 97 114.813 117.025 -2.212 1
1 1148 . 18 1 1 A 97 97 PHE H H 97 7.991 8.197 -0.206 1
1 1149 . 18 1 1 A 97 97 PHE CA C 97 56.003 56.388 -0.385 1
1 1150 . 18 1 1 A 97 97 PHE HA H 97 5.249 5.297 -0.048 1
1 1151 . 18 1 1 A 97 97 PHE CB C 97 42.008 41.513 0.495 1
1 1164 . 18 1 1 A 97 97 PHE C C 97 174.316 172.714 1.602 1
1 1165 . 18 1 1 A 98 98 ASP N N 98 121.809 118.942 2.867 1
1 1166 . 18 1 1 A 98 98 ASP H H 98 8.297 8.875 -0.578 1
1 1167 . 18 1 1 A 98 98 ASP CA C 98 54.789 52.727 2.062 1
1 1168 . 18 1 1 A 98 98 ASP HA H 98 5.006 5.491 -0.485 1
1 1169 . 18 1 1 A 98 98 ASP CB C 98 42.282 42.365 -0.083 1
1 1172 . 18 1 1 A 98 98 ASP C C 98 174.959 174.497 0.462 1
1 1173 . 18 1 1 A 99 99 ILE N N 99 126.714 125.698 1.016 1
1 1174 . 18 1 1 A 99 99 ILE H H 99 9.331 8.615 0.716 1
1 1175 . 18 1 1 A 99 99 ILE CA C 99 60.455 59.903 0.552 1
1 1176 . 18 1 1 A 99 99 ILE HA H 99 4.016 4.569 -0.553 1
1 1177 . 18 1 1 A 99 99 ILE CB C 99 42.110 40.573 1.537 1
1 1190 . 18 1 1 A 99 99 ILE C C 99 175.019 175.246 -0.227 1
1 1191 . 18 1 1 A 100 100 SER N N 100 122.590 118.959 3.631 1
1 1192 . 18 1 1 A 100 100 SER H H 100 8.345 8.626 -0.281 1
1 1193 . 18 1 1 A 100 100 SER CA C 100 58.848 56.527 2.321 1
1 1194 . 18 1 1 A 100 100 SER HA H 100 4.527 5.191 -0.664 1
1 1195 . 18 1 1 A 100 100 SER CB C 100 63.482 64.493 -1.011 1
1 1198 . 18 1 1 A 100 100 SER C C 100 173.557 173.967 -0.410 1
1 1199 . 18 1 1 A 101 101 LEU N N 101 124.776 126.622 -1.846 1
1 1200 . 18 1 1 A 101 101 LEU H H 101 8.277 8.355 -0.078 1
1 1201 . 18 1 1 A 101 101 LEU CA C 101 52.430 53.659 -1.229 1
1 1202 . 18 1 1 A 101 101 LEU HA H 101 4.375 4.403 -0.028 1
1 1203 . 18 1 1 A 101 101 LEU CB C 101 40.427 41.260 -0.833 1
1 1216 . 18 1 1 A 101 101 LEU C C 101 174.363 174.755 -0.392 1
1 1217 . 18 1 1 A 102 102 PRO CA C 102 62.488 62.290 0.198 1
1 1218 . 18 1 1 A 102 102 PRO HA H 102 4.259 4.339 -0.080 1
1 1219 . 18 1 1 A 102 102 PRO CB C 102 32.073 32.226 -0.153 1
1 1228 . 18 1 1 A 102 102 PRO C C 102 175.687 177.755 -2.068 1
1 1229 . 18 1 1 A 103 103 GLU N N 103 118.843 121.610 -2.767 1
1 1230 . 18 1 1 A 103 103 GLU H H 103 8.286 8.663 -0.377 1
1 1231 . 18 1 1 A 103 103 GLU CA C 103 58.131 59.116 -0.985 1
1 1232 . 18 1 1 A 103 103 GLU HA H 103 4.013 4.069 -0.056 1
1 1233 . 18 1 1 A 103 103 GLU CB C 103 30.344 29.336 1.008 1
1 1239 . 18 1 1 A 103 103 GLU C C 103 176.869 175.835 1.034 1
1 1240 . 18 1 1 A 104 104 LYS N N 104 116.544 117.426 -0.882 1
1 1241 . 18 1 1 A 104 104 LYS H H 104 7.869 7.646 0.223 1
1 1242 . 18 1 1 A 104 104 LYS CA C 104 55.314 54.981 0.333 1
1 1243 . 18 1 1 A 104 104 LYS HA H 104 4.474 5.036 -0.562 1
1 1244 . 18 1 1 A 104 104 LYS CB C 104 33.428 37.095 -3.667 1
1 1256 . 18 1 1 A 104 104 LYS C C 104 175.231 174.799 0.432 1
1 1257 . 18 1 1 A 105 105 ILE N N 105 122.507 121.118 1.389 1
1 1258 . 18 1 1 A 105 105 ILE H H 105 8.236 8.629 -0.393 1
1 1259 . 18 1 1 A 105 105 ILE CA C 105 60.636 60.787 -0.151 1
1 1260 . 18 1 1 A 105 105 ILE HA H 105 4.190 4.933 -0.743 1
1 1261 . 18 1 1 A 105 105 ILE CB C 105 39.685 41.183 -1.498 1
1 1274 . 18 1 1 A 105 105 ILE C C 105 176.091 175.401 0.690 1
1 1275 . 18 1 1 A 106 106 GLN N N 106 124.467 127.482 -3.015 1
1 1276 . 18 1 1 A 106 106 GLN H H 106 8.752 9.215 -0.463 1
1 1277 . 18 1 1 A 106 106 GLN CA C 106 56.244 55.421 0.823 1
1 1278 . 18 1 1 A 106 106 GLN HA H 106 4.243 4.726 -0.483 1
1 1279 . 18 1 1 A 106 106 GLN CB C 106 28.717 28.700 0.017 1
1 1288 . 18 1 1 A 106 106 GLN C C 106 177.593 175.437 2.156 1
1 1289 . 18 1 1 A 107 107 SER N N 107 116.963 113.847 3.116 1
1 1290 . 18 1 1 A 107 107 SER H H 107 8.623 8.142 0.481 1
1 1291 . 18 1 1 A 107 107 SER CA C 107 60.530 59.012 1.518 1
1 1292 . 18 1 1 A 107 107 SER HA H 107 4.152 4.171 -0.019 1
1 1293 . 18 1 1 A 107 107 SER CB C 107 63.187 61.511 1.676 1
1 1296 . 18 1 1 A 107 107 SER C C 107 174.222 174.892 -0.670 1
1 1297 . 18 1 1 A 108 108 TYR N N 108 116.323 119.569 -3.246 1
1 1298 . 18 1 1 A 108 108 TYR H H 108 7.330 8.303 -0.973 1
1 1299 . 18 1 1 A 108 108 TYR CA C 108 56.727 57.754 -1.027 1
1 1300 . 18 1 1 A 108 108 TYR HA H 108 4.655 4.667 -0.012 1
1 1301 . 18 1 1 A 108 108 TYR CB C 108 37.491 40.039 -2.548 1
1 1312 . 18 1 1 A 108 108 TYR C C 108 175.768 175.303 0.465 1
1 1313 . 18 1 1 A 109 109 GLU N N 109 120.523 118.987 1.536 1
1 1314 . 18 1 1 A 109 109 GLU H H 109 7.587 7.281 0.306 1
1 1315 . 18 1 1 A 109 109 GLU CA C 109 55.573 54.220 1.353 1
1 1316 . 18 1 1 A 109 109 GLU HA H 109 4.582 4.722 -0.140 1
1 1317 . 18 1 1 A 109 109 GLU CB C 109 31.360 32.589 -1.229 1
1 1323 . 18 1 1 A 109 109 GLU C C 109 176.013 175.521 0.492 1
1 1324 . 18 1 1 A 110 110 ARG N N 110 118.559 124.111 -5.552 1
1 1325 . 18 1 1 A 110 110 ARG H H 110 8.441 8.558 -0.117 1
1 1326 . 18 1 1 A 110 110 ARG CA C 110 55.667 56.999 -1.332 1
1 1327 . 18 1 1 A 110 110 ARG HA H 110 4.786 4.344 0.442 1
1 1328 . 18 1 1 A 110 110 ARG CB C 110 32.404 31.187 1.217 1
1 1339 . 18 1 1 A 110 110 ARG C C 110 174.387 174.574 -0.187 1
1 1340 . 18 1 1 A 111 111 MET N N 111 122.471 124.575 -2.104 1
1 1341 . 18 1 1 A 111 111 MET H H 111 8.665 8.582 0.083 1
1 1342 . 18 1 1 A 111 111 MET CA C 111 54.151 54.202 -0.051 1
1 1343 . 18 1 1 A 111 111 MET HA H 111 5.167 4.900 0.267 1
1 1344 . 18 1 1 A 111 111 MET CB C 111 35.735 35.309 0.426 1
1 1354 . 18 1 1 A 111 111 MET C C 111 174.924 174.574 0.350 1
1 1355 . 18 1 1 A 112 112 GLU N N 112 119.500 124.892 -5.392 1
1 1356 . 18 1 1 A 112 112 GLU H H 112 7.951 8.510 -0.559 1
1 1357 . 18 1 1 A 112 112 GLU CA C 112 53.909 54.943 -1.034 1
1 1358 . 18 1 1 A 112 112 GLU HA H 112 5.662 5.135 0.527 1
1 1359 . 18 1 1 A 112 112 GLU CB C 112 35.198 34.685 0.513 1
1 1365 . 18 1 1 A 112 112 GLU C C 112 174.483 174.846 -0.363 1
1 1366 . 18 1 1 A 113 113 PHE N N 113 115.033 117.716 -2.683 1
1 1367 . 18 1 1 A 113 113 PHE H H 113 9.278 8.766 0.512 1
1 1368 . 18 1 1 A 113 113 PHE CA C 113 55.857 55.883 -0.026 1
1 1369 . 18 1 1 A 113 113 PHE HA H 113 6.262 5.713 0.549 1
1 1370 . 18 1 1 A 113 113 PHE CB C 113 43.656 42.610 1.046 1
1 1383 . 18 1 1 A 113 113 PHE C C 113 172.253 172.779 -0.526 1
1 1384 . 18 1 1 A 114 114 ALA N N 114 121.461 122.441 -0.980 1
1 1385 . 18 1 1 A 114 114 ALA H H 114 9.475 9.264 0.211 1
1 1386 . 18 1 1 A 114 114 ALA CA C 114 50.860 50.736 0.124 1
1 1387 . 18 1 1 A 114 114 ALA HA H 114 5.026 5.450 -0.424 1
1 1388 . 18 1 1 A 114 114 ALA CB C 114 23.129 22.617 0.512 1
1 1392 . 18 1 1 A 114 114 ALA C C 114 174.903 176.952 -2.049 1
1 1393 . 18 1 1 A 115 115 VAL N N 115 120.899 123.199 -2.300 1
1 1394 . 18 1 1 A 115 115 VAL H H 115 8.928 8.732 0.196 1
1 1395 . 18 1 1 A 115 115 VAL CA C 115 61.379 63.397 -2.018 1
1 1396 . 18 1 1 A 115 115 VAL HA H 115 4.798 4.231 0.567 1
1 1397 . 18 1 1 A 115 115 VAL CB C 115 34.712 32.350 2.362 1
1 1407 . 18 1 1 A 115 115 VAL C C 115 174.444 174.885 -0.441 1
1 1408 . 18 1 1 A 116 116 TYR N N 116 123.426 128.076 -4.650 1
1 1409 . 18 1 1 A 116 116 TYR H H 116 8.963 8.552 0.411 1
1 1410 . 18 1 1 A 116 116 TYR CA C 116 55.480 54.317 1.163 1
1 1411 . 18 1 1 A 116 116 TYR HA H 116 5.081 4.628 0.453 1
1 1412 . 18 1 1 A 116 116 TYR CB C 116 38.928 39.870 -0.942 1
1 1423 . 18 1 1 A 116 116 TYR C C 116 172.208 172.934 -0.726 1
1 1424 . 18 1 1 A 117 117 TYR N N 117 123.249 129.895 -6.646 1
1 1425 . 18 1 1 A 117 117 TYR H H 117 8.858 8.778 0.080 1
1 1426 . 18 1 1 A 117 117 TYR CA C 117 52.371 56.511 -4.140 1
1 1427 . 18 1 1 A 117 117 TYR HA H 117 5.528 4.752 0.776 1
1 1428 . 18 1 1 A 117 117 TYR CB C 117 41.509 40.756 0.753 1
1 1439 . 18 1 1 A 117 117 TYR C C 117 173.159 173.437 -0.278 1
1 1440 . 18 1 1 A 118 118 GLU N N 118 127.681 127.018 0.663 1
1 1441 . 18 1 1 A 118 118 GLU H H 118 9.368 8.514 0.854 1
1 1442 . 18 1 1 A 118 118 GLU CA C 118 54.179 54.941 -0.762 1
1 1443 . 18 1 1 A 118 118 GLU HA H 118 5.085 4.666 0.419 1
1 1444 . 18 1 1 A 118 118 GLU CB C 118 32.099 31.974 0.125 1
1 1450 . 18 1 1 A 118 118 GLU C C 118 175.565 174.843 0.722 1
1 1451 . 18 1 1 A 119 119 CYS N N 119 122.152 123.981 -1.829 1
1 1452 . 18 1 1 A 119 119 CYS H H 119 8.323 7.870 0.453 1
1 1453 . 18 1 1 A 119 119 CYS CA C 119 58.248 58.389 -0.141 1
1 1454 . 18 1 1 A 119 119 CYS HA H 119 4.479 4.538 -0.059 1
1 1455 . 18 1 1 A 119 119 CYS CB C 119 29.065 30.728 -1.663 1
1 1458 . 18 1 1 A 119 119 CYS C C 119 174.586 173.065 1.521 1
1 1459 . 18 1 1 A 120 120 ASN N N 120 126.917 125.171 1.746 1
1 1460 . 18 1 1 A 120 120 ASN H H 120 9.858 9.245 0.613 1
1 1461 . 18 1 1 A 120 120 ASN CA C 120 53.735 54.406 -0.671 1
1 1462 . 18 1 1 A 120 120 ASN HA H 120 4.342 4.414 -0.072 1
1 1463 . 18 1 1 A 120 120 ASN CB C 120 37.873 37.369 0.504 1
1 1469 . 18 1 1 A 120 120 ASN C C 120 174.943 175.408 -0.465 1
1 1470 . 18 1 1 A 121 121 GLY N N 121 104.866 103.813 1.053 1
1 1471 . 18 1 1 A 121 121 GLY H H 121 8.776 8.569 0.207 1
1 1472 . 18 1 1 A 121 121 GLY CA C 121 45.586 46.419 -0.833 1
1 1473 . 18 1 1 A 121 121 GLY HA2 H 121 4.041 3.845 0.196 1
1 1474 . 18 1 1 A 121 121 GLY HA3 H 121 3.553 3.861 -0.308 1
1 1475 . 18 1 1 A 121 121 GLY C C 121 173.804 173.693 0.111 1
1 1476 . 18 1 1 A 122 122 GLN N N 122 119.988 118.455 1.533 1
1 1477 . 18 1 1 A 122 122 GLN H H 122 7.677 7.363 0.314 1
1 1478 . 18 1 1 A 122 122 GLN CA C 122 53.624 53.512 0.112 1
1 1479 . 18 1 1 A 122 122 GLN HA H 122 4.395 4.792 -0.397 1
1 1480 . 18 1 1 A 122 122 GLN CB C 122 31.456 32.580 -1.124 1
1 1489 . 18 1 1 A 122 122 GLN C C 122 174.029 174.070 -0.041 1
1 1490 . 18 1 1 A 123 123 THR N N 123 116.337 115.119 1.218 1
1 1491 . 18 1 1 A 123 123 THR H H 123 7.990 8.386 -0.396 1
1 1492 . 18 1 1 A 123 123 THR CA C 123 61.935 60.881 1.054 1
1 1493 . 18 1 1 A 123 123 THR HA H 123 4.620 4.768 -0.148 1
1 1494 . 18 1 1 A 123 123 THR CB C 123 70.005 71.025 -1.020 1
1 1500 . 18 1 1 A 123 123 THR C C 123 172.596 173.052 -0.456 1
1 1501 . 18 1 1 A 124 124 TYR N N 124 128.915 124.457 4.458 1
1 1502 . 18 1 1 A 124 124 TYR H H 124 9.416 8.751 0.665 1
1 1503 . 18 1 1 A 124 124 TYR CA C 124 56.388 56.107 0.281 1
1 1504 . 18 1 1 A 124 124 TYR HA H 124 4.962 5.516 -0.554 1
1 1505 . 18 1 1 A 124 124 TYR CB C 124 40.688 41.285 -0.597 1
1 1516 . 18 1 1 A 124 124 TYR C C 124 174.284 174.587 -0.303 1
1 1517 . 18 1 1 A 125 125 TRP N N 125 119.850 123.776 -3.926 1
1 1518 . 18 1 1 A 125 125 TRP H H 125 8.738 9.350 -0.612 1
1 1519 . 18 1 1 A 125 125 TRP CA C 125 56.940 55.487 1.453 1
1 1520 . 18 1 1 A 125 125 TRP HA H 125 5.388 5.614 -0.226 1
1 1521 . 18 1 1 A 125 125 TRP CB C 125 33.031 32.013 1.018 1
1 1536 . 18 1 1 A 125 125 TRP C C 125 176.973 174.727 2.246 1
1 1537 . 18 1 1 A 126 126 ASP N N 126 118.759 125.504 -6.745 1
1 1538 . 18 1 1 A 126 126 ASP H H 126 9.436 8.889 0.547 1
1 1539 . 18 1 1 A 126 126 ASP CA C 126 53.968 52.908 1.060 1
1 1540 . 18 1 1 A 126 126 ASP HA H 126 5.213 5.364 -0.151 1
1 1541 . 18 1 1 A 126 126 ASP CB C 126 42.641 42.692 -0.051 1
1 1544 . 18 1 1 A 126 126 ASP C C 126 176.043 174.353 1.690 1
1 1545 . 18 1 1 A 127 127 SER N N 127 119.074 119.984 -0.910 1
1 1546 . 18 1 1 A 127 127 SER H H 127 8.520 8.694 -0.174 1
1 1547 . 18 1 1 A 127 127 SER CA C 127 55.118 56.484 -1.366 1
1 1548 . 18 1 1 A 127 127 SER HA H 127 4.811 5.122 -0.311 1
1 1549 . 18 1 1 A 127 127 SER CB C 127 63.866 64.705 -0.839 1
1 1552 . 18 1 1 A 127 127 SER C C 127 175.840 173.085 2.755 1
1 1553 . 18 1 1 A 128 128 ASN N N 128 124.865 118.908 5.957 1
1 1554 . 18 1 1 A 128 128 ASN H H 128 9.242 8.531 0.711 1
1 1555 . 18 1 1 A 128 128 ASN CA C 128 53.224 54.026 -0.802 1
1 1556 . 18 1 1 A 128 128 ASN HA H 128 4.071 3.942 0.129 1
1 1557 . 18 1 1 A 128 128 ASN CB C 128 34.281 36.249 -1.968 1
1 1563 . 18 1 1 A 128 128 ASN C C 128 176.607 175.118 1.489 1
1 1564 . 18 1 1 A 129 129 ARG N N 129 114.718 117.079 -2.361 1
1 1565 . 18 1 1 A 129 129 ARG H H 129 9.475 7.998 1.477 1
1 1566 . 18 1 1 A 129 129 ARG CA C 129 56.798 56.897 -0.099 1
1 1567 . 18 1 1 A 129 129 ARG HA H 129 3.774 3.954 -0.180 1
1 1568 . 18 1 1 A 129 129 ARG CB C 129 27.145 27.834 -0.689 1
1 1579 . 18 1 1 A 129 129 ARG C C 129 176.132 174.998 1.134 1
1 1580 . 18 1 1 A 130 130 GLY N N 130 106.337 107.385 -1.048 1
1 1581 . 18 1 1 A 130 130 GLY H H 130 7.568 7.774 -0.206 1
1 1582 . 18 1 1 A 130 130 GLY CA C 130 44.896 46.011 -1.115 1
1 1583 . 18 1 1 A 130 130 GLY HA2 H 130 4.103 4.010 0.093 1
1 1584 . 18 1 1 A 130 130 GLY HA3 H 130 3.425 4.026 -0.601 1
1 1585 . 18 1 1 A 130 130 GLY C C 130 174.521 174.157 0.364 1
1 1586 . 18 1 1 A 131 131 LYS N N 131 119.902 123.618 -3.716 1
1 1587 . 18 1 1 A 131 131 LYS H H 131 7.278 8.158 -0.880 1
1 1588 . 18 1 1 A 131 131 LYS CA C 131 57.336 58.185 -0.849 1
1 1589 . 18 1 1 A 131 131 LYS HA H 131 4.132 4.215 -0.083 1
1 1590 . 18 1 1 A 131 131 LYS CB C 131 33.719 32.643 1.076 1
1 1602 . 18 1 1 A 131 131 LYS C C 131 177.813 176.329 1.484 1
1 1603 . 18 1 1 A 132 132 ASN N N 132 107.489 114.182 -6.693 1
1 1604 . 18 1 1 A 132 132 ASN H H 132 8.268 7.606 0.662 1
1 1605 . 18 1 1 A 132 132 ASN CA C 132 54.717 52.605 2.112 1
1 1606 . 18 1 1 A 132 132 ASN HA H 132 3.691 4.921 -1.230 1
1 1607 . 18 1 1 A 132 132 ASN CB C 132 39.462 41.857 -2.395 1
1 1613 . 18 1 1 A 132 132 ASN C C 132 172.611 172.861 -0.250 1
1 1614 . 18 1 1 A 133 133 TYR N N 133 120.541 119.116 1.425 1
1 1615 . 18 1 1 A 133 133 TYR H H 133 8.696 8.461 0.235 1
1 1616 . 18 1 1 A 133 133 TYR CA C 133 58.334 56.966 1.368 1
1 1617 . 18 1 1 A 133 133 TYR HA H 133 3.879 4.326 -0.447 1
1 1618 . 18 1 1 A 133 133 TYR CB C 133 35.955 36.340 -0.385 1
1 1627 . 18 1 1 A 133 133 TYR C C 133 175.026 175.716 -0.690 1
1 1628 . 18 1 1 A 134 134 ARG N N 134 123.205 123.071 0.134 1
1 1629 . 18 1 1 A 134 134 ARG H H 134 8.584 8.007 0.577 1
1 1630 . 18 1 1 A 134 134 ARG CA C 134 56.025 56.336 -0.311 1
1 1631 . 18 1 1 A 134 134 ARG HA H 134 5.043 4.334 0.709 1
1 1632 . 18 1 1 A 134 134 ARG CB C 134 32.734 30.597 2.137 1
1 1643 . 18 1 1 A 134 134 ARG C C 134 174.511 176.119 -1.608 1
1 1644 . 18 1 1 A 135 135 ILE N N 135 124.430 124.820 -0.390 1
1 1645 . 18 1 1 A 135 135 ILE H H 135 8.429 8.537 -0.108 1
1 1646 . 18 1 1 A 135 135 ILE CA C 135 61.078 60.230 0.848 1
1 1647 . 18 1 1 A 135 135 ILE HA H 135 4.797 4.711 0.086 1
1 1648 . 18 1 1 A 135 135 ILE CB C 135 39.875 39.452 0.423 1
1 1661 . 18 1 1 A 135 135 ILE C C 135 175.279 176.184 -0.905 1
1 1662 . 18 1 1 A 136 136 ILE N N 136 120.496 123.673 -3.177 1
1 1663 . 18 1 1 A 136 136 ILE H H 136 9.000 8.578 0.422 1
1 1664 . 18 1 1 A 136 136 ILE CA C 136 59.359 59.065 0.294 1
1 1665 . 18 1 1 A 136 136 ILE HA H 136 5.028 5.085 -0.057 1
1 1666 . 18 1 1 A 136 136 ILE CB C 136 42.170 40.481 1.689 1
1 1679 . 18 1 1 A 136 136 ILE C C 136 175.144 175.050 0.094 1
1 1680 . 18 1 1 A 137 137 ARG N N 137 122.183 123.682 -1.499 1
1 1681 . 18 1 1 A 137 137 ARG H H 137 8.535 8.560 -0.025 1
1 1682 . 18 1 1 A 137 137 ARG CA C 137 56.339 55.184 1.155 1
1 1683 . 18 1 1 A 137 137 ARG HA H 137 4.402 4.318 0.084 1
1 1684 . 18 1 1 A 137 137 ARG CB C 137 30.696 31.519 -0.823 1
1 1695 . 18 1 1 A 137 137 ARG C C 137 176.646 177.112 -0.466 1
1 1696 . 18 1 1 A 138 138 ALA N N 138 126.694 126.959 -0.265 1
1 1697 . 18 1 1 A 138 138 ALA H H 138 8.353 8.582 -0.229 1
1 1698 . 18 1 1 A 138 138 ALA CA C 138 52.808 54.798 -1.990 1
1 1699 . 18 1 1 A 138 138 ALA HA H 138 4.134 3.993 0.141 1
1 1700 . 18 1 1 A 138 138 ALA CB C 138 19.536 18.105 1.431 1
1 1704 . 18 1 1 A 138 138 ALA C C 138 177.637 179.779 -2.142 1
1 1705 . 18 1 1 A 139 139 GLU N N 139 119.890 116.544 3.346 1
1 1706 . 18 1 1 A 139 139 GLU H H 139 8.615 8.159 0.456 1
1 1707 . 18 1 1 A 139 139 GLU CA C 139 56.586 59.066 -2.480 1
1 1708 . 18 1 1 A 139 139 GLU HA H 139 4.268 4.055 0.213 1
1 1709 . 18 1 1 A 139 139 GLU CB C 139 30.137 28.665 1.472 1
1 1715 . 18 1 1 A 139 139 GLU C C 139 176.488 178.643 -2.155 1
1 1716 . 18 1 1 A 140 140 LEU N N 140 123.350 120.188 3.162 1
1 1717 . 18 1 1 A 140 140 LEU H H 140 8.224 7.697 0.527 1
1 1718 . 18 1 1 A 140 140 LEU CA C 140 55.185 57.443 -2.258 1
1 1719 . 18 1 1 A 140 140 LEU HA H 140 4.339 4.193 0.146 1
1 1720 . 18 1 1 A 140 140 LEU CB C 140 42.294 42.237 0.057 1
1 1733 . 18 1 1 A 140 140 LEU C C 140 177.456 178.108 -0.652 1
1 1734 . 18 1 1 A 141 141 LYS N N 141 122.155 118.991 3.164 1
1 1735 . 18 1 1 A 141 141 LYS H H 141 8.239 7.156 1.083 1
1 1736 . 18 1 1 A 141 141 LYS CA C 141 56.480 55.186 1.294 1
1 1737 . 18 1 1 A 141 141 LYS HA H 141 4.309 4.444 -0.135 1
1 1738 . 18 1 1 A 141 141 LYS CB C 141 32.976 32.744 0.232 1
1 1750 . 18 1 1 A 141 141 LYS C C 141 176.734 175.008 1.726 1
1 1751 . 18 1 1 A 142 142 SER N N 142 116.816 123.181 -6.365 1
1 1752 . 18 1 1 A 142 142 SER H H 142 8.369 8.339 0.030 1
1 1753 . 18 1 1 A 142 142 SER CA C 142 58.425 57.693 0.732 1
1 1754 . 18 1 1 A 142 142 SER HA H 142 4.529 4.828 -0.299 1
1 1755 . 18 1 1 A 142 142 SER CB C 142 63.836 64.548 -0.712 1
1 1758 . 18 1 1 A 142 142 SER C C 142 175.185 172.989 2.196 1
1 1759 . 18 1 1 A 143 143 THR N N 143 115.566 116.727 -1.161 1
1 1760 . 18 1 1 A 143 143 THR H H 143 8.235 8.385 -0.150 1
1 1761 . 18 1 1 A 143 143 THR CA C 143 61.999 59.731 2.268 1
1 1762 . 18 1 1 A 143 143 THR HA H 143 4.389 4.990 -0.601 1
1 1763 . 18 1 1 A 143 143 THR CB C 143 69.634 70.908 -1.274 1
1 1769 . 18 1 1 A 143 143 THR C C 143 174.937 174.985 -0.048 1
1 1770 . 18 1 1 A 144 144 GLN N N 144 122.469 125.669 -3.200 1
1 1771 . 18 1 1 A 144 144 GLN H H 144 8.345 9.149 -0.804 1
1 1772 . 18 1 1 A 144 144 GLN CA C 144 56.480 57.754 -1.274 1
1 1773 . 18 1 1 A 144 144 GLN HA H 144 4.307 4.030 0.277 1
1 1774 . 18 1 1 A 144 144 GLN CB C 144 29.307 29.467 -0.160 1
1 1783 . 18 1 1 A 144 144 GLN C C 144 176.536 176.195 0.341 1
1 1784 . 18 1 1 A 145 145 GLY N N 145 110.021 106.418 3.603 1
1 1785 . 18 1 1 A 145 145 GLY H H 145 8.461 7.899 0.562 1
1 1786 . 18 1 1 A 145 145 GLY CA C 145 45.355 44.891 0.464 1
1 1787 . 18 1 1 A 145 145 GLY HA2 H 145 3.967 4.037 -0.070 1
1 1788 . 18 1 1 A 145 145 GLY HA3 H 145 3.967 4.037 -0.070 1
1 1789 . 18 1 1 A 145 145 GLY C C 145 174.123 172.657 1.466 1
1 1790 . 18 1 1 A 146 146 MET N N 146 119.836 123.760 -3.924 1
1 1791 . 18 1 1 A 146 146 MET H H 146 8.197 8.223 -0.026 1
1 1792 . 18 1 1 A 146 146 MET CA C 146 55.594 54.649 0.945 1
1 1793 . 18 1 1 A 146 146 MET HA H 146 4.538 5.032 -0.494 1
1 1794 . 18 1 1 A 146 146 MET CB C 146 33.090 35.289 -2.199 1
1 1804 . 18 1 1 A 146 146 MET C C 146 176.454 175.908 0.546 1
1 1805 . 18 1 1 A 147 147 THR N N 147 116.248 119.014 -2.766 1
1 1806 . 18 1 1 A 147 147 THR H H 147 8.239 8.948 -0.709 1
1 1807 . 18 1 1 A 147 147 THR CA C 147 61.959 63.898 -1.939 1
1 1808 . 18 1 1 A 147 147 THR HA H 147 4.318 4.119 0.199 1
1 1809 . 18 1 1 A 147 147 THR CB C 147 69.875 69.640 0.235 1
1 1815 . 18 1 1 A 147 147 THR C C 147 174.141 174.147 -0.006 1
1 1816 . 18 1 1 A 148 148 LYS N N 148 125.399 119.199 6.200 1
1 1817 . 18 1 1 A 148 148 LYS H H 148 8.387 7.815 0.572 1
1 1818 . 18 1 1 A 148 148 LYS CA C 148 54.186 56.928 -2.742 1
1 1819 . 18 1 1 A 148 148 LYS HA H 148 4.617 3.916 0.701 1
1 1820 . 18 1 1 A 148 148 LYS CB C 148 32.651 30.107 2.544 1
1 1832 . 18 1 1 A 148 148 LYS C C 148 174.388 175.312 -0.924 1
1 1833 . 18 1 1 A 149 149 PRO CA C 149 63.178 62.686 0.492 1
1 1834 . 18 1 1 A 149 149 PRO HA H 149 4.406 4.744 -0.338 1
1 1835 . 18 1 1 A 149 149 PRO CB C 149 32.164 30.033 2.131 1
1 1844 . 18 1 1 A 150 150 HIS CA C 150 56.264 55.744 0.520 1
1 1845 . 18 1 1 A 150 150 HIS HA H 150 4.626 5.202 -0.576 1
1 1846 . 18 1 1 A 150 150 HIS CB C 150 30.574 33.205 -2.631 1
1 1852 . 18 1 1 A 151 151 SER CA C 151 58.018 56.500 1.518 1
1 1853 . 18 1 1 A 151 151 SER HA H 151 4.475 4.763 -0.288 1
1 1854 . 18 1 1 A 151 151 SER CB C 151 64.139 65.292 -1.153 1
1 1856 . 18 1 1 A 151 151 SER C C 151 174.253 172.390 1.863 1
1 1857 . 18 1 1 A 152 152 GLY N N 152 110.964 110.783 0.181 1
1 1858 . 18 1 1 A 152 152 GLY H H 152 8.276 8.599 -0.323 1
1 1859 . 18 1 1 A 152 152 GLY CA C 152 44.637 44.163 0.474 1
1 1860 . 18 1 1 A 152 152 GLY HA2 H 152 4.120 4.257 -0.137 1
1 1861 . 18 1 1 A 152 152 GLY HA3 H 152 4.120 4.290 -0.170 1
1 1862 . 18 1 1 A 152 152 GLY C C 152 171.668 172.198 -0.530 1
1 1863 . 18 1 1 A 153 153 PRO CA C 153 63.147 62.873 0.274 1
1 1864 . 18 1 1 A 153 153 PRO HA H 153 4.425 4.447 -0.022 1
1 1865 . 18 1 1 A 153 153 PRO CB C 153 32.149 32.087 0.062 1
1 1874 . 18 1 1 A 153 153 PRO C C 153 176.656 176.311 0.345 1
1 1875 . 18 1 1 A 154 154 ASP N N 154 120.420 122.267 -1.847 1
1 1876 . 18 1 1 A 154 154 ASP H H 154 8.463 8.508 -0.045 1
1 1877 . 18 1 1 A 154 154 ASP CA C 154 54.429 54.153 0.276 1
1 1878 . 18 1 1 A 154 154 ASP HA H 154 4.575 4.580 -0.005 1
1 1879 . 18 1 1 A 154 154 ASP CB C 154 40.979 41.485 -0.506 1
1 1882 . 18 1 1 A 154 154 ASP C C 154 176.163 175.769 0.394 1
1 1883 . 18 1 1 A 155 155 LEU N N 155 123.563 120.242 3.321 1
1 1884 . 18 1 1 A 155 155 LEU H H 155 8.266 8.525 -0.259 1
1 1885 . 18 1 1 A 155 155 LEU CA C 155 55.022 53.403 1.619 1
1 1886 . 18 1 1 A 155 155 LEU HA H 155 4.358 4.640 -0.282 1
1 1887 . 18 1 1 A 155 155 LEU CB C 155 42.157 43.702 -1.545 1
1 1900 . 18 1 1 A 155 155 LEU C C 155 176.990 178.515 -1.525 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.655 56.445 2.210 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.501 5.002 -0.501 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.644 65.228 -1.584 1
1 6 . 19 1 1 A 6 6 SER C C 6 175.063 172.975 2.088 1
1 7 . 19 1 1 A 7 7 GLY N N 7 111.113 114.261 -3.148 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.473 9.151 -0.678 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.373 44.637 0.736 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 3.967 4.231 -0.264 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 3.967 4.232 -0.265 1
1 12 . 19 1 1 A 7 7 GLY C C 7 173.934 172.744 1.190 1
1 13 . 19 1 1 A 8 8 ALA N N 8 123.788 124.932 -1.144 1
1 14 . 19 1 1 A 8 8 ALA H H 8 8.197 8.805 -0.608 1
1 15 . 19 1 1 A 8 8 ALA CA C 8 52.548 51.179 1.369 1
1 16 . 19 1 1 A 8 8 ALA HA H 8 4.342 4.966 -0.624 1
1 17 . 19 1 1 A 8 8 ALA CB C 8 19.403 22.966 -3.563 1
1 21 . 19 1 1 A 8 8 ALA C C 8 177.902 175.904 1.998 1
1 22 . 19 1 1 A 9 9 GLU N N 9 120.004 120.969 -0.965 1
1 23 . 19 1 1 A 9 9 GLU H H 9 8.524 8.549 -0.025 1
1 24 . 19 1 1 A 9 9 GLU CA C 9 56.763 55.293 1.470 1
1 25 . 19 1 1 A 9 9 GLU HA H 9 4.308 4.750 -0.442 1
1 26 . 19 1 1 A 9 9 GLU CB C 9 30.161 30.515 -0.354 1
1 32 . 19 1 1 A 9 9 GLU C C 9 176.646 176.160 0.486 1
1 33 . 19 1 1 A 10 10 SER N N 10 116.268 121.105 -4.837 1
1 34 . 19 1 1 A 10 10 SER H H 10 8.305 8.514 -0.209 1
1 35 . 19 1 1 A 10 10 SER CA C 10 58.426 60.117 -1.691 1
1 36 . 19 1 1 A 10 10 SER HA H 10 4.429 4.388 0.041 1
1 37 . 19 1 1 A 10 10 SER CB C 10 63.933 63.834 0.099 1
1 40 . 19 1 1 A 10 10 SER C C 10 174.267 174.653 -0.386 1
1 41 . 19 1 1 A 11 11 GLU N N 11 122.435 125.025 -2.590 1
1 42 . 19 1 1 A 11 11 GLU H H 11 8.368 8.647 -0.279 1
1 43 . 19 1 1 A 11 11 GLU CA C 11 56.233 54.734 1.499 1
1 44 . 19 1 1 A 11 11 GLU HA H 11 4.367 4.684 -0.317 1
1 45 . 19 1 1 A 11 11 GLU CB C 11 30.692 31.098 -0.406 1
1 51 . 19 1 1 A 11 11 GLU C C 11 175.800 176.107 -0.307 1
1 52 . 19 1 1 A 12 12 SER N N 12 116.596 115.168 1.428 1
1 53 . 19 1 1 A 12 12 SER H H 12 8.299 8.483 -0.184 1
1 54 . 19 1 1 A 12 12 SER CA C 12 58.355 57.756 0.599 1
1 55 . 19 1 1 A 12 12 SER HA H 12 4.457 5.033 -0.576 1
1 56 . 19 1 1 A 12 12 SER CB C 12 64.573 65.457 -0.884 1
1 59 . 19 1 1 A 12 12 SER C C 12 173.309 173.699 -0.390 1
1 60 . 19 1 1 A 13 13 PHE N N 13 121.293 118.548 2.745 1
1 61 . 19 1 1 A 13 13 PHE H H 13 8.346 9.035 -0.689 1
1 62 . 19 1 1 A 13 13 PHE CA C 13 56.851 56.080 0.771 1
1 63 . 19 1 1 A 13 13 PHE HA H 13 5.384 5.256 0.128 1
1 64 . 19 1 1 A 13 13 PHE CB C 13 42.542 43.810 -1.268 1
1 77 . 19 1 1 A 13 13 PHE C C 13 174.500 174.627 -0.127 1
1 78 . 19 1 1 A 14 14 VAL N N 14 116.020 115.772 0.248 1
1 79 . 19 1 1 A 14 14 VAL H H 14 9.313 9.085 0.228 1
1 80 . 19 1 1 A 14 14 VAL CA C 14 60.141 59.389 0.752 1
1 81 . 19 1 1 A 14 14 VAL HA H 14 4.455 4.942 -0.487 1
1 82 . 19 1 1 A 14 14 VAL CB C 14 36.318 36.274 0.044 1
1 92 . 19 1 1 A 14 14 VAL C C 14 174.668 174.622 0.046 1
1 93 . 19 1 1 A 15 15 LEU N N 15 121.725 121.626 0.099 1
1 94 . 19 1 1 A 15 15 LEU H H 15 8.476 8.487 -0.011 1
1 95 . 19 1 1 A 15 15 LEU CA C 15 54.800 53.252 1.548 1
1 96 . 19 1 1 A 15 15 LEU HA H 15 4.403 4.688 -0.285 1
1 97 . 19 1 1 A 15 15 LEU CB C 15 39.816 42.449 -2.633 1
1 110 . 19 1 1 A 15 15 LEU C C 15 177.001 176.341 0.660 1
1 111 . 19 1 1 A 16 16 ASP N N 16 126.576 124.900 1.676 1
1 112 . 19 1 1 A 16 16 ASP H H 16 8.766 8.697 0.069 1
1 113 . 19 1 1 A 16 16 ASP CA C 16 52.828 53.417 -0.589 1
1 114 . 19 1 1 A 16 16 ASP HA H 16 5.081 4.775 0.306 1
1 115 . 19 1 1 A 16 16 ASP CB C 16 42.268 40.721 1.547 1
1 118 . 19 1 1 A 16 16 ASP C C 16 174.640 175.396 -0.756 1
1 119 . 19 1 1 A 17 17 PHE N N 17 112.958 117.228 -4.270 1
1 120 . 19 1 1 A 17 17 PHE H H 17 6.915 7.059 -0.144 1
1 121 . 19 1 1 A 17 17 PHE CA C 17 55.489 56.076 -0.587 1
1 122 . 19 1 1 A 17 17 PHE HA H 17 4.938 5.303 -0.365 1
1 123 . 19 1 1 A 17 17 PHE CB C 17 39.154 41.808 -2.654 1
1 136 . 19 1 1 A 17 17 PHE C C 17 173.746 174.043 -0.297 1
1 137 . 19 1 1 A 18 18 SER N N 18 114.977 118.297 -3.320 1
1 138 . 19 1 1 A 18 18 SER H H 18 8.569 8.854 -0.285 1
1 139 . 19 1 1 A 18 18 SER CA C 18 57.046 59.664 -2.618 1
1 140 . 19 1 1 A 18 18 SER HA H 18 4.670 4.531 0.139 1
1 141 . 19 1 1 A 18 18 SER CB C 18 63.974 63.645 0.329 1
1 144 . 19 1 1 A 18 18 SER C C 18 175.437 175.117 0.320 1
1 145 . 19 1 1 A 19 19 GLN N N 19 123.586 124.814 -1.228 1
1 146 . 19 1 1 A 19 19 GLN H H 19 9.033 8.450 0.583 1
1 147 . 19 1 1 A 19 19 GLN CA C 19 54.023 55.099 -1.076 1
1 148 . 19 1 1 A 19 19 GLN HA H 19 4.558 4.466 0.092 1
1 149 . 19 1 1 A 19 19 GLN CB C 19 27.994 28.385 -0.391 1
1 158 . 19 1 1 A 19 19 GLN C C 19 177.642 176.416 1.226 1
1 159 . 19 1 1 A 20 20 PRO CA C 20 65.836 65.253 0.583 1
1 160 . 19 1 1 A 20 20 PRO HA H 20 4.370 4.521 -0.151 1
1 161 . 19 1 1 A 20 20 PRO CB C 20 32.556 32.138 0.418 1
1 170 . 19 1 1 A 20 20 PRO C C 20 178.374 177.935 0.439 1
1 171 . 19 1 1 A 21 21 SER N N 21 104.386 112.019 -7.633 1
1 172 . 19 1 1 A 21 21 SER H H 21 7.216 7.966 -0.750 1
1 173 . 19 1 1 A 21 21 SER CA C 21 58.886 61.236 -2.350 1
1 174 . 19 1 1 A 21 21 SER HA H 21 3.271 3.863 -0.592 1
1 175 . 19 1 1 A 21 21 SER CB C 21 62.401 62.885 -0.484 1
1 178 . 19 1 1 A 21 21 SER C C 21 174.423 176.746 -2.323 1
1 179 . 19 1 1 A 22 22 ALA N N 22 123.008 122.628 0.380 1
1 180 . 19 1 1 A 22 22 ALA H H 22 7.700 7.937 -0.237 1
1 181 . 19 1 1 A 22 22 ALA CA C 22 53.968 55.676 -1.708 1
1 182 . 19 1 1 A 22 22 ALA HA H 22 4.198 4.094 0.104 1
1 183 . 19 1 1 A 22 22 ALA CB C 22 18.504 19.161 -0.657 1
1 187 . 19 1 1 A 22 22 ALA C C 22 177.624 177.996 -0.372 1
1 188 . 19 1 1 A 23 23 ASP N N 23 117.789 117.825 -0.036 1
1 189 . 19 1 1 A 23 23 ASP H H 23 7.080 8.037 -0.957 1
1 190 . 19 1 1 A 23 23 ASP CA C 23 52.151 53.310 -1.159 1
1 191 . 19 1 1 A 23 23 ASP HA H 23 4.893 4.993 -0.100 1
1 192 . 19 1 1 A 23 23 ASP CB C 23 40.592 39.832 0.760 1
1 195 . 19 1 1 A 23 23 ASP C C 23 175.032 175.985 -0.953 1
1 196 . 19 1 1 A 24 24 TYR N N 24 123.295 126.444 -3.149 1
1 197 . 19 1 1 A 24 24 TYR H H 24 8.217 9.004 -0.787 1
1 198 . 19 1 1 A 24 24 TYR CA C 24 61.711 61.651 0.060 1
1 199 . 19 1 1 A 24 24 TYR HA H 24 4.196 4.117 0.079 1
1 200 . 19 1 1 A 24 24 TYR CB C 24 38.456 38.920 -0.464 1
1 211 . 19 1 1 A 24 24 TYR C C 24 177.434 177.289 0.145 1
1 212 . 19 1 1 A 25 25 LEU N N 25 119.429 120.957 -1.528 1
1 213 . 19 1 1 A 25 25 LEU H H 25 8.074 8.453 -0.379 1
1 214 . 19 1 1 A 25 25 LEU CA C 25 57.691 58.353 -0.662 1
1 215 . 19 1 1 A 25 25 LEU HA H 25 3.967 3.773 0.194 1
1 216 . 19 1 1 A 25 25 LEU CB C 25 41.388 41.312 0.076 1
1 229 . 19 1 1 A 25 25 LEU C C 25 178.768 178.384 0.384 1
1 230 . 19 1 1 A 26 26 ASP N N 26 119.881 118.846 1.035 1
1 231 . 19 1 1 A 26 26 ASP H H 26 7.561 8.244 -0.683 1
1 232 . 19 1 1 A 26 26 ASP CA C 26 57.625 56.904 0.721 1
1 233 . 19 1 1 A 26 26 ASP HA H 26 4.367 4.417 -0.050 1
1 234 . 19 1 1 A 26 26 ASP CB C 26 42.955 41.492 1.463 1
1 237 . 19 1 1 A 26 26 ASP C C 26 177.657 178.369 -0.712 1
1 238 . 19 1 1 A 27 27 PHE N N 27 118.946 120.519 -1.573 1
1 239 . 19 1 1 A 27 27 PHE H H 27 8.750 8.318 0.432 1
1 240 . 19 1 1 A 27 27 PHE CA C 27 61.323 61.051 0.272 1
1 241 . 19 1 1 A 27 27 PHE HA H 27 4.088 4.153 -0.065 1
1 242 . 19 1 1 A 27 27 PHE CB C 27 39.606 39.548 0.058 1
1 255 . 19 1 1 A 27 27 PHE C C 27 176.662 177.160 -0.498 1
1 256 . 19 1 1 A 28 28 ARG N N 28 116.744 118.453 -1.709 1
1 257 . 19 1 1 A 28 28 ARG H H 28 8.079 8.414 -0.335 1
1 258 . 19 1 1 A 28 28 ARG CA C 28 59.051 58.640 0.411 1
1 259 . 19 1 1 A 28 28 ARG HA H 28 3.590 4.007 -0.417 1
1 260 . 19 1 1 A 28 28 ARG CB C 28 29.516 29.832 -0.316 1
1 269 . 19 1 1 A 28 28 ARG C C 28 179.306 178.150 1.156 1
1 270 . 19 1 1 A 29 29 ASN N N 29 119.381 117.836 1.545 1
1 271 . 19 1 1 A 29 29 ASN H H 29 8.106 8.226 -0.120 1
1 272 . 19 1 1 A 29 29 ASN CA C 29 55.861 55.804 0.057 1
1 273 . 19 1 1 A 29 29 ASN HA H 29 4.361 4.424 -0.063 1
1 274 . 19 1 1 A 29 29 ASN CB C 29 37.622 37.974 -0.352 1
1 280 . 19 1 1 A 29 29 ASN C C 29 178.555 178.473 0.082 1
1 281 . 19 1 1 A 30 30 ARG N N 30 123.244 119.829 3.415 1
1 282 . 19 1 1 A 30 30 ARG H H 30 8.640 7.903 0.737 1
1 283 . 19 1 1 A 30 30 ARG CA C 30 59.708 58.525 1.183 1
1 284 . 19 1 1 A 30 30 ARG HA H 30 3.912 3.956 -0.044 1
1 285 . 19 1 1 A 30 30 ARG CB C 30 30.910 29.711 1.199 1
1 296 . 19 1 1 A 30 30 ARG C C 30 178.651 178.188 0.463 1
1 297 . 19 1 1 A 31 31 LEU N N 31 119.911 121.263 -1.352 1
1 298 . 19 1 1 A 31 31 LEU H H 31 7.988 7.420 0.568 1
1 299 . 19 1 1 A 31 31 LEU CA C 31 58.049 56.413 1.636 1
1 300 . 19 1 1 A 31 31 LEU HA H 31 3.409 3.920 -0.511 1
1 301 . 19 1 1 A 31 31 LEU CB C 31 41.342 41.599 -0.257 1
1 314 . 19 1 1 A 31 31 LEU C C 31 178.698 177.990 0.708 1
1 315 . 19 1 1 A 32 32 GLN N N 32 114.904 118.127 -3.223 1
1 316 . 19 1 1 A 32 32 GLN H H 32 7.416 7.619 -0.203 1
1 317 . 19 1 1 A 32 32 GLN CA C 32 58.019 57.106 0.913 1
1 318 . 19 1 1 A 32 32 GLN HA H 32 3.891 4.251 -0.360 1
1 319 . 19 1 1 A 32 32 GLN CB C 32 28.679 29.479 -0.800 1
1 328 . 19 1 1 A 32 32 GLN C C 32 176.457 176.885 -0.428 1
1 329 . 19 1 1 A 33 33 ALA N N 33 119.088 120.694 -1.606 1
1 330 . 19 1 1 A 33 33 ALA H H 33 7.791 7.815 -0.024 1
1 331 . 19 1 1 A 33 33 ALA CA C 33 54.057 53.368 0.689 1
1 332 . 19 1 1 A 33 33 ALA HA H 33 4.099 4.141 -0.042 1
1 333 . 19 1 1 A 33 33 ALA CB C 33 19.921 19.149 0.772 1
1 337 . 19 1 1 A 33 33 ALA C C 33 178.303 177.734 0.569 1
1 338 . 19 1 1 A 34 34 ASP N N 34 115.377 117.090 -1.713 1
1 339 . 19 1 1 A 34 34 ASP H H 34 8.662 7.732 0.930 1
1 340 . 19 1 1 A 34 34 ASP CA C 34 55.153 53.567 1.586 1
1 341 . 19 1 1 A 34 34 ASP HA H 34 4.698 4.750 -0.052 1
1 342 . 19 1 1 A 34 34 ASP CB C 34 41.976 41.313 0.663 1
1 345 . 19 1 1 A 34 34 ASP C C 34 177.531 175.333 2.198 1
1 346 . 19 1 1 A 35 35 HIS N N 35 108.110 116.050 -7.940 1
1 347 . 19 1 1 A 35 35 HIS H H 35 7.018 7.732 -0.714 1
1 348 . 19 1 1 A 35 35 HIS CA C 35 58.336 56.757 1.579 1
1 349 . 19 1 1 A 35 35 HIS HA H 35 4.543 4.323 0.220 1
1 350 . 19 1 1 A 35 35 HIS CB C 35 26.472 26.370 0.102 1
1 357 . 19 1 1 A 35 35 HIS C C 35 171.507 173.314 -1.807 1
1 358 . 19 1 1 A 36 36 VAL N N 36 115.529 116.630 -1.101 1
1 359 . 19 1 1 A 36 36 VAL H H 36 7.065 6.963 0.102 1
1 360 . 19 1 1 A 36 36 VAL CA C 36 58.549 60.700 -2.151 1
1 361 . 19 1 1 A 36 36 VAL HA H 36 4.867 4.554 0.313 1
1 362 . 19 1 1 A 36 36 VAL CB C 36 33.135 34.255 -1.120 1
1 372 . 19 1 1 A 36 36 VAL C C 36 171.953 173.684 -1.731 1
1 373 . 19 1 1 A 37 37 CYS N N 37 124.685 124.804 -0.119 1
1 374 . 19 1 1 A 37 37 CYS H H 37 8.694 8.335 0.359 1
1 375 . 19 1 1 A 37 37 CYS CA C 37 59.979 58.319 1.660 1
1 376 . 19 1 1 A 37 37 CYS HA H 37 4.594 5.100 -0.506 1
1 377 . 19 1 1 A 37 37 CYS CB C 37 29.016 31.555 -2.539 1
1 380 . 19 1 1 A 37 37 CYS C C 37 173.445 173.044 0.401 1
1 381 . 19 1 1 A 38 38 LEU N N 38 132.291 127.536 4.755 1
1 382 . 19 1 1 A 38 38 LEU H H 38 9.625 8.379 1.246 1
1 383 . 19 1 1 A 38 38 LEU CA C 38 57.958 55.392 2.566 1
1 384 . 19 1 1 A 38 38 LEU HA H 38 4.167 4.698 -0.531 1
1 385 . 19 1 1 A 38 38 LEU CB C 38 42.189 42.640 -0.451 1
1 398 . 19 1 1 A 38 38 LEU C C 38 173.188 177.002 -3.814 1
1 399 . 19 1 1 A 39 39 GLU N N 39 127.988 128.680 -0.692 1
1 400 . 19 1 1 A 39 39 GLU H H 39 9.267 9.153 0.114 1
1 401 . 19 1 1 A 39 39 GLU CA C 39 57.435 58.520 -1.085 1
1 402 . 19 1 1 A 39 39 GLU HA H 39 4.521 4.294 0.227 1
1 403 . 19 1 1 A 39 39 GLU CB C 39 31.891 30.203 1.688 1
1 409 . 19 1 1 A 39 39 GLU C C 39 175.300 176.568 -1.268 1
1 410 . 19 1 1 A 40 40 ASN N N 40 115.109 113.273 1.836 1
1 411 . 19 1 1 A 40 40 ASN H H 40 7.757 7.880 -0.123 1
1 412 . 19 1 1 A 40 40 ASN CA C 40 52.151 51.511 0.640 1
1 413 . 19 1 1 A 40 40 ASN HA H 40 5.353 5.437 -0.084 1
1 414 . 19 1 1 A 40 40 ASN CB C 40 43.324 41.701 1.623 1
1 420 . 19 1 1 A 40 40 ASN C C 40 173.918 173.409 0.509 1
1 421 . 19 1 1 A 41 41 CYS N N 41 120.861 119.831 1.030 1
1 422 . 19 1 1 A 41 41 CYS H H 41 9.646 9.128 0.518 1
1 423 . 19 1 1 A 41 41 CYS CA C 41 58.934 57.456 1.478 1
1 424 . 19 1 1 A 41 41 CYS HA H 41 5.167 5.120 0.047 1
1 425 . 19 1 1 A 41 41 CYS CB C 41 30.293 30.373 -0.080 1
1 428 . 19 1 1 A 41 41 CYS C C 41 171.600 173.268 -1.668 1
1 429 . 19 1 1 A 42 42 VAL N N 42 126.721 123.563 3.158 1
1 430 . 19 1 1 A 42 42 VAL H H 42 9.532 9.046 0.486 1
1 431 . 19 1 1 A 42 42 VAL CA C 42 60.463 59.746 0.717 1
1 432 . 19 1 1 A 42 42 VAL HA H 42 4.454 5.012 -0.558 1
1 433 . 19 1 1 A 42 42 VAL CB C 42 35.496 34.107 1.389 1
1 443 . 19 1 1 A 42 42 VAL C C 42 173.645 174.074 -0.429 1
1 444 . 19 1 1 A 43 43 LEU N N 43 127.183 125.162 2.021 1
1 445 . 19 1 1 A 43 43 LEU H H 43 8.597 8.810 -0.213 1
1 446 . 19 1 1 A 43 43 LEU CA C 43 54.209 53.882 0.327 1
1 447 . 19 1 1 A 43 43 LEU HA H 43 5.050 4.933 0.117 1
1 448 . 19 1 1 A 43 43 LEU CB C 43 43.450 45.447 -1.997 1
1 461 . 19 1 1 A 43 43 LEU C C 43 176.151 175.562 0.589 1
1 462 . 19 1 1 A 44 44 LYS N N 44 127.086 127.190 -0.104 1
1 463 . 19 1 1 A 44 44 LYS H H 44 8.726 9.223 -0.497 1
1 464 . 19 1 1 A 44 44 LYS CA C 44 55.033 55.225 -0.192 1
1 465 . 19 1 1 A 44 44 LYS HA H 44 4.552 4.584 -0.032 1
1 466 . 19 1 1 A 44 44 LYS CB C 44 34.147 33.796 0.351 1
1 478 . 19 1 1 A 44 44 LYS C C 44 175.176 177.855 -2.679 1
1 479 . 19 1 1 A 45 45 ASP N N 45 123.045 120.634 2.411 1
1 480 . 19 1 1 A 45 45 ASP H H 45 8.876 8.800 0.076 1
1 481 . 19 1 1 A 45 45 ASP CA C 45 56.515 57.775 -1.260 1
1 482 . 19 1 1 A 45 45 ASP HA H 45 4.321 4.272 0.049 1
1 483 . 19 1 1 A 45 45 ASP CB C 45 39.782 40.679 -0.897 1
1 486 . 19 1 1 A 45 45 ASP C C 45 175.339 177.198 -1.859 1
1 487 . 19 1 1 A 46 46 LYS N N 46 118.201 113.946 4.255 1
1 488 . 19 1 1 A 46 46 LYS H H 46 8.620 7.591 1.029 1
1 489 . 19 1 1 A 46 46 LYS CA C 46 56.158 55.899 0.259 1
1 490 . 19 1 1 A 46 46 LYS HA H 46 4.079 4.572 -0.493 1
1 491 . 19 1 1 A 46 46 LYS CB C 46 30.929 33.299 -2.370 1
1 503 . 19 1 1 A 46 46 LYS C C 46 174.615 175.628 -1.013 1
1 504 . 19 1 1 A 47 47 ALA N N 47 121.283 120.195 1.088 1
1 505 . 19 1 1 A 47 47 ALA H H 47 7.611 7.675 -0.064 1
1 506 . 19 1 1 A 47 47 ALA CA C 47 51.809 51.323 0.486 1
1 507 . 19 1 1 A 47 47 ALA HA H 47 5.105 4.903 0.202 1
1 508 . 19 1 1 A 47 47 ALA CB C 47 22.739 23.702 -0.963 1
1 512 . 19 1 1 A 47 47 ALA C C 47 175.508 175.173 0.335 1
1 513 . 19 1 1 A 48 48 ILE N N 48 114.639 113.616 1.023 1
1 514 . 19 1 1 A 48 48 ILE H H 48 8.819 8.383 0.436 1
1 515 . 19 1 1 A 48 48 ILE CA C 48 59.017 59.292 -0.275 1
1 516 . 19 1 1 A 48 48 ILE HA H 48 5.230 5.038 0.192 1
1 517 . 19 1 1 A 48 48 ILE CB C 48 41.811 42.535 -0.724 1
1 530 . 19 1 1 A 48 48 ILE C C 48 172.954 174.064 -1.110 1
1 531 . 19 1 1 A 49 49 ALA N N 49 126.155 122.780 3.375 1
1 532 . 19 1 1 A 49 49 ALA H H 49 8.652 8.309 0.343 1
1 533 . 19 1 1 A 49 49 ALA CA C 49 50.095 51.332 -1.237 1
1 534 . 19 1 1 A 49 49 ALA HA H 49 4.769 5.126 -0.357 1
1 535 . 19 1 1 A 49 49 ALA CB C 49 22.651 21.993 0.658 1
1 539 . 19 1 1 A 49 49 ALA C C 49 175.812 175.547 0.265 1
1 540 . 19 1 1 A 50 50 GLY N N 50 105.980 108.025 -2.045 1
1 541 . 19 1 1 A 50 50 GLY H H 50 6.754 7.094 -0.340 1
1 542 . 19 1 1 A 50 50 GLY CA C 50 46.134 44.759 1.375 1
1 543 . 19 1 1 A 50 50 GLY HA2 H 50 3.803 3.908 -0.105 1
1 544 . 19 1 1 A 50 50 GLY HA3 H 50 4.077 4.090 -0.013 1
1 545 . 19 1 1 A 50 50 GLY C C 50 172.510 172.243 0.267 1
1 546 . 19 1 1 A 51 51 THR N N 51 108.648 112.392 -3.744 1
1 547 . 19 1 1 A 51 51 THR H H 51 8.556 8.721 -0.165 1
1 548 . 19 1 1 A 51 51 THR CA C 51 59.116 60.273 -1.157 1
1 549 . 19 1 1 A 51 51 THR HA H 51 5.588 5.804 -0.216 1
1 550 . 19 1 1 A 51 51 THR CB C 51 72.737 70.693 2.044 1
1 556 . 19 1 1 A 51 51 THR C C 51 174.087 173.904 0.183 1
1 557 . 19 1 1 A 52 52 VAL N N 52 122.025 126.308 -4.283 1
1 558 . 19 1 1 A 52 52 VAL H H 52 9.746 9.128 0.618 1
1 559 . 19 1 1 A 52 52 VAL CA C 52 61.371 61.327 0.044 1
1 560 . 19 1 1 A 52 52 VAL HA H 52 4.463 4.743 -0.280 1
1 561 . 19 1 1 A 52 52 VAL CB C 52 36.986 33.891 3.095 1
1 571 . 19 1 1 A 52 52 VAL C C 52 174.687 175.145 -0.458 1
1 572 . 19 1 1 A 53 53 LYS N N 53 125.115 126.461 -1.346 1
1 573 . 19 1 1 A 53 53 LYS H H 53 8.567 9.007 -0.440 1
1 574 . 19 1 1 A 53 53 LYS CA C 53 53.668 55.125 -1.457 1
1 575 . 19 1 1 A 53 53 LYS HA H 53 5.599 5.153 0.446 1
1 576 . 19 1 1 A 53 53 LYS CB C 53 37.855 35.042 2.813 1
1 588 . 19 1 1 A 53 53 LYS C C 53 174.697 176.036 -1.339 1
1 589 . 19 1 1 A 54 54 VAL N N 54 110.661 118.206 -7.545 1
1 590 . 19 1 1 A 54 54 VAL H H 54 8.498 8.864 -0.366 1
1 591 . 19 1 1 A 54 54 VAL CA C 54 57.682 58.853 -1.171 1
1 592 . 19 1 1 A 54 54 VAL HA H 54 4.825 4.469 0.356 1
1 593 . 19 1 1 A 54 54 VAL CB C 54 34.634 35.454 -0.820 1
1 603 . 19 1 1 A 54 54 VAL C C 54 176.105 174.364 1.741 1
1 604 . 19 1 1 A 55 55 GLN N N 55 119.414 121.179 -1.765 1
1 605 . 19 1 1 A 55 55 GLN H H 55 7.924 8.388 -0.464 1
1 606 . 19 1 1 A 55 55 GLN CA C 55 56.023 55.892 0.131 1
1 607 . 19 1 1 A 55 55 GLN HA H 55 4.456 4.474 -0.018 1
1 608 . 19 1 1 A 55 55 GLN CB C 55 30.216 29.639 0.577 1
1 617 . 19 1 1 A 55 55 GLN C C 55 176.800 175.677 1.123 1
1 618 . 19 1 1 A 56 56 ASN N N 56 125.676 122.092 3.584 1
1 619 . 19 1 1 A 56 56 ASN H H 56 8.837 8.895 -0.058 1
1 620 . 19 1 1 A 56 56 ASN CA C 56 53.190 51.838 1.352 1
1 621 . 19 1 1 A 56 56 ASN HA H 56 4.575 4.852 -0.277 1
1 622 . 19 1 1 A 56 56 ASN CB C 56 36.855 36.852 0.003 1
1 628 . 19 1 1 A 56 56 ASN C C 56 174.747 175.901 -1.154 1
1 629 . 19 1 1 A 57 57 LEU N N 57 124.779 125.323 -0.544 1
1 630 . 19 1 1 A 57 57 LEU H H 57 7.284 8.321 -1.037 1
1 631 . 19 1 1 A 57 57 LEU CA C 57 55.224 57.763 -2.539 1
1 632 . 19 1 1 A 57 57 LEU HA H 57 4.326 4.022 0.304 1
1 633 . 19 1 1 A 57 57 LEU CB C 57 43.634 42.174 1.460 1
1 646 . 19 1 1 A 57 57 LEU C C 57 176.186 176.901 -0.715 1
1 647 . 19 1 1 A 58 58 ALA N N 58 119.342 119.113 0.229 1
1 648 . 19 1 1 A 58 58 ALA H H 58 7.724 7.540 0.184 1
1 649 . 19 1 1 A 58 58 ALA CA C 58 51.687 50.258 1.429 1
1 650 . 19 1 1 A 58 58 ALA HA H 58 4.343 4.745 -0.402 1
1 651 . 19 1 1 A 58 58 ALA CB C 58 21.122 21.120 0.002 1
1 655 . 19 1 1 A 58 58 ALA C C 58 175.847 177.670 -1.823 1
1 656 . 19 1 1 A 59 59 PHE N N 59 118.235 118.619 -0.384 1
1 657 . 19 1 1 A 59 59 PHE H H 59 8.231 8.784 -0.553 1
1 658 . 19 1 1 A 59 59 PHE CA C 59 60.105 61.176 -1.071 1
1 659 . 19 1 1 A 59 59 PHE HA H 59 4.428 4.433 -0.005 1
1 660 . 19 1 1 A 59 59 PHE CB C 59 40.386 40.244 0.142 1
1 673 . 19 1 1 A 59 59 PHE C C 59 176.670 175.386 1.284 1
1 674 . 19 1 1 A 60 60 GLU N N 60 120.295 117.431 2.864 1
1 675 . 19 1 1 A 60 60 GLU H H 60 8.482 7.964 0.518 1
1 676 . 19 1 1 A 60 60 GLU CA C 60 57.134 56.246 0.888 1
1 677 . 19 1 1 A 60 60 GLU HA H 60 4.306 4.822 -0.516 1
1 678 . 19 1 1 A 60 60 GLU CB C 60 29.569 31.396 -1.827 1
1 684 . 19 1 1 A 60 60 GLU C C 60 175.584 176.309 -0.725 1
1 685 . 19 1 1 A 61 61 LYS N N 61 123.512 120.872 2.640 1
1 686 . 19 1 1 A 61 61 LYS H H 61 8.377 9.039 -0.662 1
1 687 . 19 1 1 A 61 61 LYS CA C 61 55.939 54.150 1.789 1
1 688 . 19 1 1 A 61 61 LYS HA H 61 5.038 5.096 -0.058 1
1 689 . 19 1 1 A 61 61 LYS CB C 61 37.890 37.151 0.739 1
1 701 . 19 1 1 A 61 61 LYS C C 61 175.510 174.636 0.874 1
1 702 . 19 1 1 A 62 62 THR N N 62 117.107 113.032 4.075 1
1 703 . 19 1 1 A 62 62 THR H H 62 8.285 8.400 -0.115 1
1 704 . 19 1 1 A 62 62 THR CA C 62 62.340 61.497 0.843 1
1 705 . 19 1 1 A 62 62 THR HA H 62 4.435 4.880 -0.445 1
1 706 . 19 1 1 A 62 62 THR CB C 62 71.605 71.061 0.544 1
1 712 . 19 1 1 A 62 62 THR C C 62 172.156 172.992 -0.836 1
1 713 . 19 1 1 A 63 63 VAL N N 63 128.402 127.461 0.941 1
1 714 . 19 1 1 A 63 63 VAL H H 63 8.719 8.704 0.015 1
1 715 . 19 1 1 A 63 63 VAL CA C 63 60.707 60.696 0.011 1
1 716 . 19 1 1 A 63 63 VAL HA H 63 4.755 4.760 -0.005 1
1 717 . 19 1 1 A 63 63 VAL CB C 63 35.210 33.240 1.970 1
1 727 . 19 1 1 A 63 63 VAL C C 63 174.313 175.028 -0.715 1
1 728 . 19 1 1 A 64 64 LYS N N 64 123.629 125.450 -1.821 1
1 729 . 19 1 1 A 64 64 LYS H H 64 8.519 8.381 0.138 1
1 730 . 19 1 1 A 64 64 LYS CA C 64 54.850 54.858 -0.008 1
1 731 . 19 1 1 A 64 64 LYS HA H 64 4.997 5.010 -0.013 1
1 732 . 19 1 1 A 64 64 LYS CB C 64 37.343 36.521 0.822 1
1 744 . 19 1 1 A 64 64 LYS C C 64 173.348 174.956 -1.608 1
1 745 . 19 1 1 A 65 65 ILE N N 65 119.250 124.315 -5.065 1
1 746 . 19 1 1 A 65 65 ILE H H 65 8.637 8.841 -0.204 1
1 747 . 19 1 1 A 65 65 ILE CA C 65 57.894 60.253 -2.359 1
1 748 . 19 1 1 A 65 65 ILE HA H 65 4.451 4.749 -0.298 1
1 749 . 19 1 1 A 65 65 ILE CB C 65 37.638 38.571 -0.933 1
1 762 . 19 1 1 A 65 65 ILE C C 65 174.893 175.010 -0.117 1
1 763 . 19 1 1 A 66 66 ARG N N 66 130.193 125.856 4.337 1
1 764 . 19 1 1 A 66 66 ARG H H 66 9.244 8.958 0.286 1
1 765 . 19 1 1 A 66 66 ARG CA C 66 55.930 55.036 0.894 1
1 766 . 19 1 1 A 66 66 ARG HA H 66 5.440 5.130 0.310 1
1 767 . 19 1 1 A 66 66 ARG CB C 66 31.514 32.089 -0.575 1
1 778 . 19 1 1 A 66 66 ARG C C 66 174.161 174.849 -0.688 1
1 779 . 19 1 1 A 67 67 MET N N 67 128.046 122.232 5.814 1
1 780 . 19 1 1 A 67 67 MET H H 67 9.343 9.044 0.299 1
1 781 . 19 1 1 A 67 67 MET CA C 67 54.217 54.073 0.144 1
1 782 . 19 1 1 A 67 67 MET HA H 67 5.318 5.054 0.264 1
1 783 . 19 1 1 A 67 67 MET CB C 67 37.533 35.802 1.731 1
1 793 . 19 1 1 A 67 67 MET C C 67 173.432 173.623 -0.191 1
1 794 . 19 1 1 A 68 68 THR N N 68 118.404 119.588 -1.184 1
1 795 . 19 1 1 A 68 68 THR H H 68 8.474 8.328 0.146 1
1 796 . 19 1 1 A 68 68 THR CA C 68 58.903 59.039 -0.136 1
1 797 . 19 1 1 A 68 68 THR HA H 68 3.948 4.833 -0.885 1
1 798 . 19 1 1 A 68 68 THR CB C 68 71.091 71.128 -0.037 1
1 804 . 19 1 1 A 68 68 THR C C 68 170.783 173.518 -2.735 1
1 805 . 19 1 1 A 69 69 PHE N N 69 124.029 123.979 0.050 1
1 806 . 19 1 1 A 69 69 PHE H H 69 8.910 9.158 -0.248 1
1 807 . 19 1 1 A 69 69 PHE CA C 69 55.772 57.620 -1.848 1
1 808 . 19 1 1 A 69 69 PHE HA H 69 4.783 4.743 0.040 1
1 809 . 19 1 1 A 69 69 PHE CB C 69 39.748 40.306 -0.558 1
1 822 . 19 1 1 A 69 69 PHE C C 69 174.951 175.014 -0.063 1
1 823 . 19 1 1 A 70 70 ASP N N 70 121.457 119.245 2.212 1
1 824 . 19 1 1 A 70 70 ASP H H 70 8.841 7.161 1.680 1
1 825 . 19 1 1 A 70 70 ASP CA C 70 52.288 52.682 -0.394 1
1 826 . 19 1 1 A 70 70 ASP HA H 70 4.661 4.907 -0.246 1
1 827 . 19 1 1 A 70 70 ASP CB C 70 40.026 41.705 -1.679 1
1 830 . 19 1 1 A 70 70 ASP C C 70 177.065 175.736 1.329 1
1 831 . 19 1 1 A 71 71 THR N N 71 114.661 116.488 -1.827 1
1 832 . 19 1 1 A 71 71 THR H H 71 8.724 8.615 0.109 1
1 833 . 19 1 1 A 71 71 THR CA C 71 63.824 63.059 0.765 1
1 834 . 19 1 1 A 71 71 THR HA H 71 3.181 3.928 -0.747 1
1 835 . 19 1 1 A 71 71 THR CB C 71 66.535 66.970 -0.435 1
1 841 . 19 1 1 A 71 71 THR C C 71 173.648 173.963 -0.315 1
1 842 . 19 1 1 A 72 72 TRP N N 72 111.097 113.231 -2.134 1
1 843 . 19 1 1 A 72 72 TRP H H 72 8.854 7.985 0.869 1
1 844 . 19 1 1 A 72 72 TRP CA C 72 58.910 57.980 0.930 1
1 845 . 19 1 1 A 72 72 TRP HA H 72 3.951 4.252 -0.301 1
1 846 . 19 1 1 A 72 72 TRP CB C 72 24.332 26.661 -2.329 1
1 861 . 19 1 1 A 72 72 TRP C C 72 176.875 176.166 0.709 1
1 862 . 19 1 1 A 73 73 LYS N N 73 124.701 118.103 6.598 1
1 863 . 19 1 1 A 73 73 LYS H H 73 7.785 8.517 -0.732 1
1 864 . 19 1 1 A 73 73 LYS CA C 73 60.463 57.188 3.275 1
1 865 . 19 1 1 A 73 73 LYS HA H 73 4.174 4.356 -0.182 1
1 866 . 19 1 1 A 73 73 LYS CB C 73 31.024 34.022 -2.998 1
1 878 . 19 1 1 A 73 73 LYS C C 73 177.622 176.573 1.049 1
1 879 . 19 1 1 A 74 74 SER N N 74 117.041 112.373 4.668 1
1 880 . 19 1 1 A 74 74 SER H H 74 10.002 7.764 2.238 1
1 881 . 19 1 1 A 74 74 SER CA C 74 57.539 57.890 -0.351 1
1 882 . 19 1 1 A 74 74 SER HA H 74 4.556 4.793 -0.237 1
1 883 . 19 1 1 A 74 74 SER CB C 74 66.372 65.344 1.028 1
1 886 . 19 1 1 A 74 74 SER C C 74 171.956 172.518 -0.562 1
1 887 . 19 1 1 A 75 75 TYR N N 75 113.320 122.990 -9.670 1
1 888 . 19 1 1 A 75 75 TYR H H 75 7.735 8.248 -0.513 1
1 889 . 19 1 1 A 75 75 TYR CA C 75 57.155 55.083 2.072 1
1 890 . 19 1 1 A 75 75 TYR HA H 75 5.229 5.704 -0.475 1
1 891 . 19 1 1 A 75 75 TYR CB C 75 40.745 41.892 -1.147 1
1 902 . 19 1 1 A 75 75 TYR C C 75 174.262 174.261 0.001 1
1 903 . 19 1 1 A 76 76 THR N N 76 117.158 114.300 2.858 1
1 904 . 19 1 1 A 76 76 THR H H 76 9.212 8.791 0.421 1
1 905 . 19 1 1 A 76 76 THR CA C 76 62.104 60.962 1.142 1
1 906 . 19 1 1 A 76 76 THR HA H 76 4.318 4.867 -0.549 1
1 907 . 19 1 1 A 76 76 THR CB C 76 72.675 71.148 1.527 1
1 913 . 19 1 1 A 76 76 THR C C 76 171.344 172.764 -1.420 1
1 914 . 19 1 1 A 77 77 ASP N N 77 125.875 125.865 0.010 1
1 915 . 19 1 1 A 77 77 ASP H H 77 8.569 8.666 -0.097 1
1 916 . 19 1 1 A 77 77 ASP CA C 77 52.422 54.469 -2.047 1
1 917 . 19 1 1 A 77 77 ASP HA H 77 5.865 4.775 1.090 1
1 918 . 19 1 1 A 77 77 ASP CB C 77 41.512 41.382 0.130 1
1 921 . 19 1 1 A 77 77 ASP C C 77 175.921 175.106 0.815 1
1 922 . 19 1 1 A 78 78 PHE N N 78 125.666 123.486 2.180 1
1 923 . 19 1 1 A 78 78 PHE H H 78 9.992 8.106 1.886 1
1 924 . 19 1 1 A 78 78 PHE CA C 78 55.578 55.733 -0.155 1
1 925 . 19 1 1 A 78 78 PHE HA H 78 4.943 5.037 -0.094 1
1 926 . 19 1 1 A 78 78 PHE CB C 78 40.375 40.156 0.219 1
1 939 . 19 1 1 A 78 78 PHE C C 78 173.610 174.158 -0.548 1
1 940 . 19 1 1 A 79 79 PRO CA C 79 63.363 63.173 0.190 1
1 941 . 19 1 1 A 79 79 PRO HA H 79 4.615 4.583 0.032 1
1 942 . 19 1 1 A 79 79 PRO CB C 79 32.787 32.474 0.313 1
1 951 . 19 1 1 A 79 79 PRO C C 79 176.681 176.915 -0.234 1
1 952 . 19 1 1 A 80 80 CYS N N 80 117.289 121.719 -4.430 1
1 953 . 19 1 1 A 80 80 CYS H H 80 8.308 8.058 0.250 1
1 954 . 19 1 1 A 80 80 CYS CA C 80 57.675 59.837 -2.162 1
1 955 . 19 1 1 A 80 80 CYS HA H 80 5.242 5.033 0.209 1
1 956 . 19 1 1 A 80 80 CYS CB C 80 30.658 29.161 1.497 1
1 959 . 19 1 1 A 80 80 CYS C C 80 174.899 174.962 -0.063 1
1 960 . 19 1 1 A 81 81 GLN N N 81 122.188 121.443 0.745 1
1 961 . 19 1 1 A 81 81 GLN H H 81 9.312 8.942 0.370 1
1 962 . 19 1 1 A 81 81 GLN CA C 81 54.620 54.795 -0.175 1
1 963 . 19 1 1 A 81 81 GLN HA H 81 4.911 4.966 -0.055 1
1 964 . 19 1 1 A 81 81 GLN CB C 81 31.213 31.351 -0.138 1
1 973 . 19 1 1 A 81 81 GLN C C 81 175.035 174.275 0.760 1
1 974 . 19 1 1 A 82 82 TYR N N 82 125.814 123.210 2.604 1
1 975 . 19 1 1 A 82 82 TYR H H 82 8.919 8.940 -0.021 1
1 976 . 19 1 1 A 82 82 TYR CA C 82 58.764 56.177 2.587 1
1 977 . 19 1 1 A 82 82 TYR HA H 82 3.403 5.137 -1.734 1
1 978 . 19 1 1 A 82 82 TYR CB C 82 38.346 41.325 -2.979 1
1 989 . 19 1 1 A 82 82 TYR C C 82 175.413 173.815 1.598 1
1 990 . 19 1 1 A 83 83 VAL N N 83 129.316 126.776 2.540 1
1 991 . 19 1 1 A 83 83 VAL H H 83 7.782 8.456 -0.674 1
1 992 . 19 1 1 A 83 83 VAL CA C 83 61.693 61.442 0.251 1
1 993 . 19 1 1 A 83 83 VAL HA H 83 3.758 4.319 -0.561 1
1 994 . 19 1 1 A 83 83 VAL CB C 83 32.564 32.547 0.017 1
1 1004 . 19 1 1 A 83 83 VAL C C 83 173.771 174.438 -0.667 1
1 1005 . 19 1 1 A 84 84 LYS N N 84 126.665 122.838 3.827 1
1 1006 . 19 1 1 A 84 84 LYS H H 84 8.174 8.435 -0.261 1
1 1007 . 19 1 1 A 84 84 LYS CA C 84 56.144 55.416 0.728 1
1 1008 . 19 1 1 A 84 84 LYS HA H 84 4.016 4.380 -0.364 1
1 1009 . 19 1 1 A 84 84 LYS CB C 84 32.170 32.020 0.150 1
1 1021 . 19 1 1 A 84 84 LYS C C 84 175.610 174.719 0.891 1
1 1022 . 19 1 1 A 85 85 ASP N N 85 124.262 122.893 1.369 1
1 1023 . 19 1 1 A 85 85 ASP H H 85 7.864 7.900 -0.036 1
1 1024 . 19 1 1 A 85 85 ASP CA C 85 53.349 52.365 0.984 1
1 1025 . 19 1 1 A 85 85 ASP HA H 85 4.678 4.974 -0.296 1
1 1026 . 19 1 1 A 85 85 ASP CB C 85 41.683 43.534 -1.851 1
1 1029 . 19 1 1 A 85 85 ASP C C 85 176.841 176.380 0.461 1
1 1030 . 19 1 1 A 86 86 THR N N 86 113.656 120.011 -6.355 1
1 1031 . 19 1 1 A 86 86 THR H H 86 8.065 8.708 -0.643 1
1 1032 . 19 1 1 A 86 86 THR CA C 86 63.274 65.149 -1.875 1
1 1033 . 19 1 1 A 86 86 THR HA H 86 4.086 3.884 0.202 1
1 1034 . 19 1 1 A 86 86 THR CB C 86 69.257 68.714 0.543 1
1 1040 . 19 1 1 A 86 86 THR C C 86 174.589 175.503 -0.914 1
1 1041 . 19 1 1 A 87 87 TYR N N 87 120.837 119.654 1.183 1
1 1042 . 19 1 1 A 87 87 TYR H H 87 8.064 7.448 0.616 1
1 1043 . 19 1 1 A 87 87 TYR CA C 87 58.054 61.455 -3.401 1
1 1044 . 19 1 1 A 87 87 TYR HA H 87 4.527 4.260 0.267 1
1 1045 . 19 1 1 A 87 87 TYR CB C 87 38.297 37.445 0.852 1
1 1056 . 19 1 1 A 87 87 TYR C C 87 175.590 178.069 -2.479 1
1 1057 . 19 1 1 A 88 88 ALA N N 88 125.226 121.527 3.699 1
1 1058 . 19 1 1 A 88 88 ALA H H 88 7.963 7.839 0.124 1
1 1059 . 19 1 1 A 88 88 ALA CA C 88 53.104 54.546 -1.442 1
1 1060 . 19 1 1 A 88 88 ALA HA H 88 4.389 4.085 0.304 1
1 1061 . 19 1 1 A 88 88 ALA CB C 88 19.127 19.516 -0.389 1
1 1065 . 19 1 1 A 88 88 ALA C C 88 178.497 177.763 0.734 1
1 1066 . 19 1 1 A 89 89 GLY N N 89 109.029 102.408 6.621 1
1 1067 . 19 1 1 A 89 89 GLY H H 89 8.479 6.944 1.535 1
1 1068 . 19 1 1 A 89 89 GLY CA C 89 45.426 45.273 0.153 1
1 1069 . 19 1 1 A 89 89 GLY HA2 H 89 3.952 4.058 -0.106 1
1 1070 . 19 1 1 A 89 89 GLY HA3 H 89 4.079 4.064 0.015 1
1 1071 . 19 1 1 A 89 89 GLY C C 89 174.563 174.062 0.501 1
1 1072 . 19 1 1 A 90 90 SER N N 90 115.638 116.047 -0.409 1
1 1073 . 19 1 1 A 90 90 SER H H 90 8.232 9.028 -0.796 1
1 1074 . 19 1 1 A 90 90 SER CA C 90 58.443 60.292 -1.849 1
1 1075 . 19 1 1 A 90 90 SER HA H 90 4.574 4.532 0.042 1
1 1076 . 19 1 1 A 90 90 SER CB C 90 63.865 63.433 0.432 1
1 1079 . 19 1 1 A 90 90 SER C C 90 174.212 175.637 -1.425 1
1 1080 . 19 1 1 A 91 91 ASP N N 91 120.185 121.077 -0.892 1
1 1081 . 19 1 1 A 91 91 ASP H H 91 8.691 7.936 0.755 1
1 1082 . 19 1 1 A 91 91 ASP CA C 91 55.012 56.333 -1.321 1
1 1083 . 19 1 1 A 91 91 ASP HA H 91 4.684 4.668 0.016 1
1 1084 . 19 1 1 A 91 91 ASP CB C 91 40.643 41.735 -1.092 1
1 1087 . 19 1 1 A 91 91 ASP C C 91 176.350 176.633 -0.283 1
1 1088 . 19 1 1 A 92 92 ARG N N 92 119.690 119.021 0.669 1
1 1089 . 19 1 1 A 92 92 ARG H H 92 8.072 7.913 0.159 1
1 1090 . 19 1 1 A 92 92 ARG CA C 92 54.941 56.718 -1.777 1
1 1091 . 19 1 1 A 92 92 ARG HA H 92 5.022 4.444 0.578 1
1 1092 . 19 1 1 A 92 92 ARG CB C 92 32.816 31.395 1.421 1
1 1101 . 19 1 1 A 92 92 ARG C C 92 174.072 175.339 -1.267 1
1 1102 . 19 1 1 A 93 93 ASP N N 93 119.716 119.221 0.495 1
1 1103 . 19 1 1 A 93 93 ASP H H 93 8.550 8.728 -0.178 1
1 1104 . 19 1 1 A 93 93 ASP CA C 93 53.411 52.718 0.693 1
1 1105 . 19 1 1 A 93 93 ASP HA H 93 5.108 5.494 -0.386 1
1 1106 . 19 1 1 A 93 93 ASP CB C 93 46.005 44.328 1.677 1
1 1109 . 19 1 1 A 93 93 ASP C C 93 174.776 175.064 -0.288 1
1 1110 . 19 1 1 A 94 94 THR N N 94 116.481 116.206 0.275 1
1 1111 . 19 1 1 A 94 94 THR H H 94 8.932 8.686 0.246 1
1 1112 . 19 1 1 A 94 94 THR CA C 94 62.287 61.322 0.965 1
1 1113 . 19 1 1 A 94 94 THR HA H 94 5.232 4.955 0.277 1
1 1114 . 19 1 1 A 94 94 THR CB C 94 70.008 71.216 -1.208 1
1 1120 . 19 1 1 A 94 94 THR C C 94 171.982 173.303 -1.321 1
1 1121 . 19 1 1 A 95 95 PHE N N 95 124.488 126.084 -1.596 1
1 1122 . 19 1 1 A 95 95 PHE H H 95 9.347 8.705 0.642 1
1 1123 . 19 1 1 A 95 95 PHE CA C 95 55.834 57.281 -1.447 1
1 1124 . 19 1 1 A 95 95 PHE HA H 95 5.321 5.214 0.107 1
1 1125 . 19 1 1 A 95 95 PHE CB C 95 43.478 41.585 1.893 1
1 1138 . 19 1 1 A 95 95 PHE C C 95 174.780 174.970 -0.190 1
1 1139 . 19 1 1 A 96 96 SER N N 96 117.417 114.242 3.175 1
1 1140 . 19 1 1 A 96 96 SER H H 96 10.108 9.131 0.977 1
1 1141 . 19 1 1 A 96 96 SER CA C 96 56.388 56.560 -0.172 1
1 1142 . 19 1 1 A 96 96 SER HA H 96 5.575 5.436 0.139 1
1 1143 . 19 1 1 A 96 96 SER CB C 96 67.188 66.592 0.596 1
1 1146 . 19 1 1 A 96 96 SER C C 96 173.079 173.848 -0.769 1
1 1147 . 19 1 1 A 97 97 PHE N N 97 114.813 117.415 -2.602 1
1 1148 . 19 1 1 A 97 97 PHE H H 97 7.991 8.591 -0.600 1
1 1149 . 19 1 1 A 97 97 PHE CA C 97 56.003 55.286 0.717 1
1 1150 . 19 1 1 A 97 97 PHE HA H 97 5.249 5.629 -0.380 1
1 1151 . 19 1 1 A 97 97 PHE CB C 97 42.008 42.757 -0.749 1
1 1164 . 19 1 1 A 97 97 PHE C C 97 174.316 173.314 1.002 1
1 1165 . 19 1 1 A 98 98 ASP N N 98 121.809 120.367 1.442 1
1 1166 . 19 1 1 A 98 98 ASP H H 98 8.297 8.985 -0.688 1
1 1167 . 19 1 1 A 98 98 ASP CA C 98 54.789 53.109 1.680 1
1 1168 . 19 1 1 A 98 98 ASP HA H 98 5.006 5.448 -0.442 1
1 1169 . 19 1 1 A 98 98 ASP CB C 98 42.282 42.292 -0.010 1
1 1172 . 19 1 1 A 98 98 ASP C C 98 174.959 174.666 0.293 1
1 1173 . 19 1 1 A 99 99 ILE N N 99 126.714 125.222 1.492 1
1 1174 . 19 1 1 A 99 99 ILE H H 99 9.331 8.885 0.446 1
1 1175 . 19 1 1 A 99 99 ILE CA C 99 60.455 60.219 0.236 1
1 1176 . 19 1 1 A 99 99 ILE HA H 99 4.016 4.458 -0.442 1
1 1177 . 19 1 1 A 99 99 ILE CB C 99 42.110 39.762 2.348 1
1 1190 . 19 1 1 A 99 99 ILE C C 99 175.019 174.984 0.035 1
1 1191 . 19 1 1 A 100 100 SER N N 100 122.590 121.732 0.858 1
1 1192 . 19 1 1 A 100 100 SER H H 100 8.345 8.620 -0.275 1
1 1193 . 19 1 1 A 100 100 SER CA C 100 58.848 56.787 2.061 1
1 1194 . 19 1 1 A 100 100 SER HA H 100 4.527 4.973 -0.446 1
1 1195 . 19 1 1 A 100 100 SER CB C 100 63.482 64.183 -0.701 1
1 1198 . 19 1 1 A 100 100 SER C C 100 173.557 174.108 -0.551 1
1 1199 . 19 1 1 A 101 101 LEU N N 101 124.776 126.496 -1.720 1
1 1200 . 19 1 1 A 101 101 LEU H H 101 8.277 8.743 -0.466 1
1 1201 . 19 1 1 A 101 101 LEU CA C 101 52.430 53.480 -1.050 1
1 1202 . 19 1 1 A 101 101 LEU HA H 101 4.375 4.226 0.149 1
1 1203 . 19 1 1 A 101 101 LEU CB C 101 40.427 40.966 -0.539 1
1 1216 . 19 1 1 A 101 101 LEU C C 101 174.363 174.526 -0.163 1
1 1217 . 19 1 1 A 102 102 PRO CA C 102 62.488 61.987 0.501 1
1 1218 . 19 1 1 A 102 102 PRO HA H 102 4.259 4.253 0.006 1
1 1219 . 19 1 1 A 102 102 PRO CB C 102 32.073 32.935 -0.862 1
1 1228 . 19 1 1 A 102 102 PRO C C 102 175.687 176.902 -1.215 1
1 1229 . 19 1 1 A 103 103 GLU N N 103 118.843 119.385 -0.542 1
1 1230 . 19 1 1 A 103 103 GLU H H 103 8.286 8.415 -0.129 1
1 1231 . 19 1 1 A 103 103 GLU CA C 103 58.131 58.845 -0.714 1
1 1232 . 19 1 1 A 103 103 GLU HA H 103 4.013 4.096 -0.083 1
1 1233 . 19 1 1 A 103 103 GLU CB C 103 30.344 29.247 1.097 1
1 1239 . 19 1 1 A 103 103 GLU C C 103 176.869 175.910 0.959 1
1 1240 . 19 1 1 A 104 104 LYS N N 104 116.544 117.557 -1.013 1
1 1241 . 19 1 1 A 104 104 LYS H H 104 7.869 7.642 0.227 1
1 1242 . 19 1 1 A 104 104 LYS CA C 104 55.314 54.803 0.511 1
1 1243 . 19 1 1 A 104 104 LYS HA H 104 4.474 4.825 -0.351 1
1 1244 . 19 1 1 A 104 104 LYS CB C 104 33.428 36.270 -2.842 1
1 1256 . 19 1 1 A 104 104 LYS C C 104 175.231 175.354 -0.123 1
1 1257 . 19 1 1 A 105 105 ILE N N 105 122.507 122.002 0.505 1
1 1258 . 19 1 1 A 105 105 ILE H H 105 8.236 8.811 -0.575 1
1 1259 . 19 1 1 A 105 105 ILE CA C 105 60.636 60.772 -0.136 1
1 1260 . 19 1 1 A 105 105 ILE HA H 105 4.190 5.097 -0.907 1
1 1261 . 19 1 1 A 105 105 ILE CB C 105 39.685 41.101 -1.416 1
1 1274 . 19 1 1 A 105 105 ILE C C 105 176.091 174.988 1.103 1
1 1275 . 19 1 1 A 106 106 GLN N N 106 124.467 125.992 -1.525 1
1 1276 . 19 1 1 A 106 106 GLN H H 106 8.752 8.629 0.123 1
1 1277 . 19 1 1 A 106 106 GLN CA C 106 56.244 53.875 2.369 1
1 1278 . 19 1 1 A 106 106 GLN HA H 106 4.243 5.008 -0.765 1
1 1279 . 19 1 1 A 106 106 GLN CB C 106 28.717 32.286 -3.569 1
1 1288 . 19 1 1 A 106 106 GLN C C 106 177.593 176.182 1.411 1
1 1289 . 19 1 1 A 107 107 SER N N 107 116.963 117.572 -0.609 1
1 1290 . 19 1 1 A 107 107 SER H H 107 8.623 9.124 -0.501 1
1 1291 . 19 1 1 A 107 107 SER CA C 107 60.530 61.608 -1.078 1
1 1292 . 19 1 1 A 107 107 SER HA H 107 4.152 4.334 -0.182 1
1 1293 . 19 1 1 A 107 107 SER CB C 107 63.187 63.192 -0.005 1
1 1296 . 19 1 1 A 107 107 SER C C 107 174.222 176.574 -2.352 1
1 1297 . 19 1 1 A 108 108 TYR N N 108 116.323 119.323 -3.000 1
1 1298 . 19 1 1 A 108 108 TYR H H 108 7.330 8.410 -1.080 1
1 1299 . 19 1 1 A 108 108 TYR CA C 108 56.727 60.910 -4.183 1
1 1300 . 19 1 1 A 108 108 TYR HA H 108 4.655 4.360 0.295 1
1 1301 . 19 1 1 A 108 108 TYR CB C 108 37.491 37.493 -0.002 1
1 1312 . 19 1 1 A 108 108 TYR C C 108 175.768 176.039 -0.271 1
1 1313 . 19 1 1 A 109 109 GLU N N 109 120.523 118.656 1.867 1
1 1314 . 19 1 1 A 109 109 GLU H H 109 7.587 7.706 -0.119 1
1 1315 . 19 1 1 A 109 109 GLU CA C 109 55.573 54.682 0.891 1
1 1316 . 19 1 1 A 109 109 GLU HA H 109 4.582 4.411 0.171 1
1 1317 . 19 1 1 A 109 109 GLU CB C 109 31.360 29.892 1.468 1
1 1323 . 19 1 1 A 109 109 GLU C C 109 176.013 175.231 0.782 1
1 1324 . 19 1 1 A 110 110 ARG N N 110 118.559 127.197 -8.638 1
1 1325 . 19 1 1 A 110 110 ARG H H 110 8.441 8.750 -0.309 1
1 1326 . 19 1 1 A 110 110 ARG CA C 110 55.667 56.540 -0.873 1
1 1327 . 19 1 1 A 110 110 ARG HA H 110 4.786 4.364 0.422 1
1 1328 . 19 1 1 A 110 110 ARG CB C 110 32.404 31.132 1.272 1
1 1339 . 19 1 1 A 110 110 ARG C C 110 174.387 174.798 -0.411 1
1 1340 . 19 1 1 A 111 111 MET N N 111 122.471 123.300 -0.829 1
1 1341 . 19 1 1 A 111 111 MET H H 111 8.665 8.585 0.080 1
1 1342 . 19 1 1 A 111 111 MET CA C 111 54.151 54.485 -0.334 1
1 1343 . 19 1 1 A 111 111 MET HA H 111 5.167 4.768 0.399 1
1 1344 . 19 1 1 A 111 111 MET CB C 111 35.735 35.314 0.421 1
1 1354 . 19 1 1 A 111 111 MET C C 111 174.924 174.470 0.454 1
1 1355 . 19 1 1 A 112 112 GLU N N 112 119.500 125.586 -6.086 1
1 1356 . 19 1 1 A 112 112 GLU H H 112 7.951 8.553 -0.602 1
1 1357 . 19 1 1 A 112 112 GLU CA C 112 53.909 54.806 -0.897 1
1 1358 . 19 1 1 A 112 112 GLU HA H 112 5.662 5.233 0.429 1
1 1359 . 19 1 1 A 112 112 GLU CB C 112 35.198 34.482 0.716 1
1 1365 . 19 1 1 A 112 112 GLU C C 112 174.483 174.939 -0.456 1
1 1366 . 19 1 1 A 113 113 PHE N N 113 115.033 117.754 -2.721 1
1 1367 . 19 1 1 A 113 113 PHE H H 113 9.278 8.880 0.398 1
1 1368 . 19 1 1 A 113 113 PHE CA C 113 55.857 56.217 -0.360 1
1 1369 . 19 1 1 A 113 113 PHE HA H 113 6.262 5.526 0.736 1
1 1370 . 19 1 1 A 113 113 PHE CB C 113 43.656 42.051 1.605 1
1 1383 . 19 1 1 A 113 113 PHE C C 113 172.253 172.865 -0.612 1
1 1384 . 19 1 1 A 114 114 ALA N N 114 121.461 121.854 -0.393 1
1 1385 . 19 1 1 A 114 114 ALA H H 114 9.475 9.144 0.331 1
1 1386 . 19 1 1 A 114 114 ALA CA C 114 50.860 51.044 -0.184 1
1 1387 . 19 1 1 A 114 114 ALA HA H 114 5.026 5.295 -0.269 1
1 1388 . 19 1 1 A 114 114 ALA CB C 114 23.129 23.766 -0.637 1
1 1392 . 19 1 1 A 114 114 ALA C C 114 174.903 176.354 -1.451 1
1 1393 . 19 1 1 A 115 115 VAL N N 115 120.899 119.587 1.312 1
1 1394 . 19 1 1 A 115 115 VAL H H 115 8.928 8.788 0.140 1
1 1395 . 19 1 1 A 115 115 VAL CA C 115 61.379 61.733 -0.354 1
1 1396 . 19 1 1 A 115 115 VAL HA H 115 4.798 4.880 -0.082 1
1 1397 . 19 1 1 A 115 115 VAL CB C 115 34.712 33.514 1.198 1
1 1407 . 19 1 1 A 115 115 VAL C C 115 174.444 174.411 0.033 1
1 1408 . 19 1 1 A 116 116 TYR N N 116 123.426 128.022 -4.596 1
1 1409 . 19 1 1 A 116 116 TYR H H 116 8.963 8.558 0.405 1
1 1410 . 19 1 1 A 116 116 TYR CA C 116 55.480 54.411 1.069 1
1 1411 . 19 1 1 A 116 116 TYR HA H 116 5.081 4.821 0.260 1
1 1412 . 19 1 1 A 116 116 TYR CB C 116 38.928 40.067 -1.139 1
1 1423 . 19 1 1 A 116 116 TYR C C 116 172.208 173.094 -0.886 1
1 1424 . 19 1 1 A 117 117 TYR N N 117 123.249 130.026 -6.777 1
1 1425 . 19 1 1 A 117 117 TYR H H 117 8.858 8.938 -0.080 1
1 1426 . 19 1 1 A 117 117 TYR CA C 117 52.371 56.568 -4.197 1
1 1427 . 19 1 1 A 117 117 TYR HA H 117 5.528 4.738 0.790 1
1 1428 . 19 1 1 A 117 117 TYR CB C 117 41.509 40.407 1.102 1
1 1439 . 19 1 1 A 117 117 TYR C C 117 173.159 173.647 -0.488 1
1 1440 . 19 1 1 A 118 118 GLU N N 118 127.681 127.014 0.667 1
1 1441 . 19 1 1 A 118 118 GLU H H 118 9.368 8.735 0.633 1
1 1442 . 19 1 1 A 118 118 GLU CA C 118 54.179 54.885 -0.706 1
1 1443 . 19 1 1 A 118 118 GLU HA H 118 5.085 4.881 0.204 1
1 1444 . 19 1 1 A 118 118 GLU CB C 118 32.099 32.159 -0.060 1
1 1450 . 19 1 1 A 118 118 GLU C C 118 175.565 174.832 0.733 1
1 1451 . 19 1 1 A 119 119 CYS N N 119 122.152 123.285 -1.133 1
1 1452 . 19 1 1 A 119 119 CYS H H 119 8.323 8.030 0.293 1
1 1453 . 19 1 1 A 119 119 CYS CA C 119 58.248 58.885 -0.637 1
1 1454 . 19 1 1 A 119 119 CYS HA H 119 4.479 4.540 -0.061 1
1 1455 . 19 1 1 A 119 119 CYS CB C 119 29.065 30.402 -1.337 1
1 1458 . 19 1 1 A 119 119 CYS C C 119 174.586 173.140 1.446 1
1 1459 . 19 1 1 A 120 120 ASN N N 120 126.917 125.337 1.580 1
1 1460 . 19 1 1 A 120 120 ASN H H 120 9.858 9.261 0.597 1
1 1461 . 19 1 1 A 120 120 ASN CA C 120 53.735 54.474 -0.739 1
1 1462 . 19 1 1 A 120 120 ASN HA H 120 4.342 4.433 -0.091 1
1 1463 . 19 1 1 A 120 120 ASN CB C 120 37.873 37.341 0.532 1
1 1469 . 19 1 1 A 120 120 ASN C C 120 174.943 175.460 -0.517 1
1 1470 . 19 1 1 A 121 121 GLY N N 121 104.866 103.841 1.025 1
1 1471 . 19 1 1 A 121 121 GLY H H 121 8.776 8.596 0.180 1
1 1472 . 19 1 1 A 121 121 GLY CA C 121 45.586 46.462 -0.876 1
1 1473 . 19 1 1 A 121 121 GLY HA2 H 121 4.041 3.835 0.206 1
1 1474 . 19 1 1 A 121 121 GLY HA3 H 121 3.553 3.846 -0.293 1
1 1475 . 19 1 1 A 121 121 GLY C C 121 173.804 173.686 0.118 1
1 1476 . 19 1 1 A 122 122 GLN N N 122 119.988 118.363 1.625 1
1 1477 . 19 1 1 A 122 122 GLN H H 122 7.677 7.423 0.254 1
1 1478 . 19 1 1 A 122 122 GLN CA C 122 53.624 53.496 0.128 1
1 1479 . 19 1 1 A 122 122 GLN HA H 122 4.395 4.768 -0.373 1
1 1480 . 19 1 1 A 122 122 GLN CB C 122 31.456 32.481 -1.025 1
1 1489 . 19 1 1 A 122 122 GLN C C 122 174.029 174.241 -0.212 1
1 1490 . 19 1 1 A 123 123 THR N N 123 116.337 115.148 1.189 1
1 1491 . 19 1 1 A 123 123 THR H H 123 7.990 8.355 -0.365 1
1 1492 . 19 1 1 A 123 123 THR CA C 123 61.935 60.958 0.977 1
1 1493 . 19 1 1 A 123 123 THR HA H 123 4.620 4.787 -0.167 1
1 1494 . 19 1 1 A 123 123 THR CB C 123 70.005 71.055 -1.050 1
1 1500 . 19 1 1 A 123 123 THR C C 123 172.596 172.871 -0.275 1
1 1501 . 19 1 1 A 124 124 TYR N N 124 128.915 124.794 4.121 1
1 1502 . 19 1 1 A 124 124 TYR H H 124 9.416 9.108 0.308 1
1 1503 . 19 1 1 A 124 124 TYR CA C 124 56.388 56.018 0.370 1
1 1504 . 19 1 1 A 124 124 TYR HA H 124 4.962 5.469 -0.507 1
1 1505 . 19 1 1 A 124 124 TYR CB C 124 40.688 40.705 -0.017 1
1 1516 . 19 1 1 A 124 124 TYR C C 124 174.284 174.447 -0.163 1
1 1517 . 19 1 1 A 125 125 TRP N N 125 119.850 123.769 -3.919 1
1 1518 . 19 1 1 A 125 125 TRP H H 125 8.738 9.200 -0.462 1
1 1519 . 19 1 1 A 125 125 TRP CA C 125 56.940 55.589 1.351 1
1 1520 . 19 1 1 A 125 125 TRP HA H 125 5.388 5.467 -0.079 1
1 1521 . 19 1 1 A 125 125 TRP CB C 125 33.031 31.634 1.397 1
1 1536 . 19 1 1 A 125 125 TRP C C 125 176.973 174.759 2.214 1
1 1537 . 19 1 1 A 126 126 ASP N N 126 118.759 125.331 -6.572 1
1 1538 . 19 1 1 A 126 126 ASP H H 126 9.436 9.095 0.341 1
1 1539 . 19 1 1 A 126 126 ASP CA C 126 53.968 52.818 1.150 1
1 1540 . 19 1 1 A 126 126 ASP HA H 126 5.213 5.376 -0.163 1
1 1541 . 19 1 1 A 126 126 ASP CB C 126 42.641 42.608 0.033 1
1 1544 . 19 1 1 A 126 126 ASP C C 126 176.043 174.644 1.399 1
1 1545 . 19 1 1 A 127 127 SER N N 127 119.074 121.399 -2.325 1
1 1546 . 19 1 1 A 127 127 SER H H 127 8.520 8.814 -0.294 1
1 1547 . 19 1 1 A 127 127 SER CA C 127 55.118 56.545 -1.427 1
1 1548 . 19 1 1 A 127 127 SER HA H 127 4.811 4.453 0.358 1
1 1549 . 19 1 1 A 127 127 SER CB C 127 63.866 65.443 -1.577 1
1 1552 . 19 1 1 A 127 127 SER C C 127 175.840 173.501 2.339 1
1 1553 . 19 1 1 A 128 128 ASN N N 128 124.865 125.192 -0.327 1
1 1554 . 19 1 1 A 128 128 ASN H H 128 9.242 6.433 2.809 1
1 1555 . 19 1 1 A 128 128 ASN CA C 128 53.224 53.073 0.151 1
1 1556 . 19 1 1 A 128 128 ASN HA H 128 4.071 3.604 0.467 1
1 1557 . 19 1 1 A 128 128 ASN CB C 128 34.281 35.673 -1.392 1
1 1563 . 19 1 1 A 128 128 ASN C C 128 176.607 175.352 1.255 1
1 1564 . 19 1 1 A 129 129 ARG N N 129 114.718 118.168 -3.450 1
1 1565 . 19 1 1 A 129 129 ARG H H 129 9.475 7.819 1.656 1
1 1566 . 19 1 1 A 129 129 ARG CA C 129 56.798 56.827 -0.029 1
1 1567 . 19 1 1 A 129 129 ARG HA H 129 3.774 3.905 -0.131 1
1 1568 . 19 1 1 A 129 129 ARG CB C 129 27.145 28.115 -0.970 1
1 1579 . 19 1 1 A 129 129 ARG C C 129 176.132 175.047 1.085 1
1 1580 . 19 1 1 A 130 130 GLY N N 130 106.337 107.134 -0.797 1
1 1581 . 19 1 1 A 130 130 GLY H H 130 7.568 7.713 -0.145 1
1 1582 . 19 1 1 A 130 130 GLY CA C 130 44.896 46.026 -1.130 1
1 1583 . 19 1 1 A 130 130 GLY HA2 H 130 4.103 4.067 0.036 1
1 1584 . 19 1 1 A 130 130 GLY HA3 H 130 3.425 4.079 -0.654 1
1 1585 . 19 1 1 A 130 130 GLY C C 130 174.521 173.853 0.668 1
1 1586 . 19 1 1 A 131 131 LYS N N 131 119.902 124.271 -4.369 1
1 1587 . 19 1 1 A 131 131 LYS H H 131 7.278 7.803 -0.525 1
1 1588 . 19 1 1 A 131 131 LYS CA C 131 57.336 57.226 0.110 1
1 1589 . 19 1 1 A 131 131 LYS HA H 131 4.132 4.267 -0.135 1
1 1590 . 19 1 1 A 131 131 LYS CB C 131 33.719 33.372 0.347 1
1 1602 . 19 1 1 A 131 131 LYS C C 131 177.813 176.290 1.523 1
1 1603 . 19 1 1 A 132 132 ASN N N 132 107.489 114.804 -7.315 1
1 1604 . 19 1 1 A 132 132 ASN H H 132 8.268 7.779 0.489 1
1 1605 . 19 1 1 A 132 132 ASN CA C 132 54.717 52.099 2.618 1
1 1606 . 19 1 1 A 132 132 ASN HA H 132 3.691 5.181 -1.490 1
1 1607 . 19 1 1 A 132 132 ASN CB C 132 39.462 42.480 -3.018 1
1 1613 . 19 1 1 A 132 132 ASN C C 132 172.611 173.768 -1.157 1
1 1614 . 19 1 1 A 133 133 TYR N N 133 120.541 122.001 -1.460 1
1 1615 . 19 1 1 A 133 133 TYR H H 133 8.696 7.763 0.933 1
1 1616 . 19 1 1 A 133 133 TYR CA C 133 58.334 57.391 0.943 1
1 1617 . 19 1 1 A 133 133 TYR HA H 133 3.879 4.462 -0.583 1
1 1618 . 19 1 1 A 133 133 TYR CB C 133 35.955 36.100 -0.145 1
1 1627 . 19 1 1 A 133 133 TYR C C 133 175.026 175.475 -0.449 1
1 1628 . 19 1 1 A 134 134 ARG N N 134 123.205 126.184 -2.979 1
1 1629 . 19 1 1 A 134 134 ARG H H 134 8.584 9.101 -0.517 1
1 1630 . 19 1 1 A 134 134 ARG CA C 134 56.025 56.826 -0.801 1
1 1631 . 19 1 1 A 134 134 ARG HA H 134 5.043 4.615 0.428 1
1 1632 . 19 1 1 A 134 134 ARG CB C 134 32.734 30.794 1.940 1
1 1643 . 19 1 1 A 134 134 ARG C C 134 174.511 175.213 -0.702 1
1 1644 . 19 1 1 A 135 135 ILE N N 135 124.430 128.125 -3.695 1
1 1645 . 19 1 1 A 135 135 ILE H H 135 8.429 8.668 -0.239 1
1 1646 . 19 1 1 A 135 135 ILE CA C 135 61.078 60.580 0.498 1
1 1647 . 19 1 1 A 135 135 ILE HA H 135 4.797 4.714 0.083 1
1 1648 . 19 1 1 A 135 135 ILE CB C 135 39.875 39.563 0.312 1
1 1661 . 19 1 1 A 135 135 ILE C C 135 175.279 176.145 -0.866 1
1 1662 . 19 1 1 A 136 136 ILE N N 136 120.496 123.957 -3.461 1
1 1663 . 19 1 1 A 136 136 ILE H H 136 9.000 8.770 0.230 1
1 1664 . 19 1 1 A 136 136 ILE CA C 136 59.359 59.364 -0.005 1
1 1665 . 19 1 1 A 136 136 ILE HA H 136 5.028 4.826 0.202 1
1 1666 . 19 1 1 A 136 136 ILE CB C 136 42.170 40.223 1.947 1
1 1679 . 19 1 1 A 136 136 ILE C C 136 175.144 175.933 -0.789 1
1 1680 . 19 1 1 A 137 137 ARG N N 137 122.183 124.082 -1.899 1
1 1681 . 19 1 1 A 137 137 ARG H H 137 8.535 8.356 0.179 1
1 1682 . 19 1 1 A 137 137 ARG CA C 137 56.339 55.626 0.713 1
1 1683 . 19 1 1 A 137 137 ARG HA H 137 4.402 4.090 0.312 1
1 1684 . 19 1 1 A 137 137 ARG CB C 137 30.696 31.099 -0.403 1
1 1695 . 19 1 1 A 137 137 ARG C C 137 176.646 177.397 -0.751 1
1 1696 . 19 1 1 A 138 138 ALA N N 138 126.694 127.116 -0.422 1
1 1697 . 19 1 1 A 138 138 ALA H H 138 8.353 8.611 -0.258 1
1 1698 . 19 1 1 A 138 138 ALA CA C 138 52.808 55.028 -2.220 1
1 1699 . 19 1 1 A 138 138 ALA HA H 138 4.134 3.942 0.192 1
1 1700 . 19 1 1 A 138 138 ALA CB C 138 19.536 18.010 1.526 1
1 1704 . 19 1 1 A 138 138 ALA C C 138 177.637 179.831 -2.194 1
1 1705 . 19 1 1 A 139 139 GLU N N 139 119.890 114.970 4.920 1
1 1706 . 19 1 1 A 139 139 GLU H H 139 8.615 8.456 0.159 1
1 1707 . 19 1 1 A 139 139 GLU CA C 139 56.586 58.826 -2.240 1
1 1708 . 19 1 1 A 139 139 GLU HA H 139 4.268 4.107 0.161 1
1 1709 . 19 1 1 A 139 139 GLU CB C 139 30.137 29.030 1.107 1
1 1715 . 19 1 1 A 139 139 GLU C C 139 176.488 176.533 -0.045 1
1 1716 . 19 1 1 A 140 140 LEU N N 140 123.350 120.421 2.929 1
1 1717 . 19 1 1 A 140 140 LEU H H 140 8.224 7.780 0.444 1
1 1718 . 19 1 1 A 140 140 LEU CA C 140 55.185 53.477 1.708 1
1 1719 . 19 1 1 A 140 140 LEU HA H 140 4.339 4.779 -0.440 1
1 1720 . 19 1 1 A 140 140 LEU CB C 140 42.294 43.523 -1.229 1
1 1733 . 19 1 1 A 140 140 LEU C C 140 177.456 176.047 1.409 1
1 1734 . 19 1 1 A 141 141 LYS N N 141 122.155 122.877 -0.722 1
1 1735 . 19 1 1 A 141 141 LYS H H 141 8.239 8.577 -0.338 1
1 1736 . 19 1 1 A 141 141 LYS CA C 141 56.480 55.847 0.633 1
1 1737 . 19 1 1 A 141 141 LYS HA H 141 4.309 4.790 -0.481 1
1 1738 . 19 1 1 A 141 141 LYS CB C 141 32.976 36.539 -3.563 1
1 1750 . 19 1 1 A 141 141 LYS C C 141 176.734 174.275 2.459 1
1 1751 . 19 1 1 A 142 142 SER N N 142 116.816 118.045 -1.229 1
1 1752 . 19 1 1 A 142 142 SER H H 142 8.369 8.686 -0.317 1
1 1753 . 19 1 1 A 142 142 SER CA C 142 58.425 56.886 1.539 1
1 1754 . 19 1 1 A 142 142 SER HA H 142 4.529 4.921 -0.392 1
1 1755 . 19 1 1 A 142 142 SER CB C 142 63.836 65.981 -2.145 1
1 1758 . 19 1 1 A 142 142 SER C C 142 175.185 171.787 3.398 1
1 1759 . 19 1 1 A 143 143 THR N N 143 115.566 116.406 -0.840 1
1 1760 . 19 1 1 A 143 143 THR H H 143 8.235 8.710 -0.475 1
1 1761 . 19 1 1 A 143 143 THR CA C 143 61.999 60.208 1.791 1
1 1762 . 19 1 1 A 143 143 THR HA H 143 4.389 5.187 -0.798 1
1 1763 . 19 1 1 A 143 143 THR CB C 143 69.634 71.665 -2.031 1
1 1769 . 19 1 1 A 143 143 THR C C 143 174.937 172.349 2.588 1
1 1770 . 19 1 1 A 144 144 GLN N N 144 122.469 124.531 -2.062 1
1 1771 . 19 1 1 A 144 144 GLN H H 144 8.345 8.910 -0.565 1
1 1772 . 19 1 1 A 144 144 GLN CA C 144 56.480 53.935 2.545 1
1 1773 . 19 1 1 A 144 144 GLN HA H 144 4.307 5.171 -0.864 1
1 1774 . 19 1 1 A 144 144 GLN CB C 144 29.307 32.696 -3.389 1
1 1783 . 19 1 1 A 144 144 GLN C C 144 176.536 174.220 2.316 1
1 1784 . 19 1 1 A 145 145 GLY N N 145 110.021 107.579 2.442 1
1 1785 . 19 1 1 A 145 145 GLY H H 145 8.461 8.537 -0.076 1
1 1786 . 19 1 1 A 145 145 GLY CA C 145 45.355 44.413 0.942 1
1 1787 . 19 1 1 A 145 145 GLY HA2 H 145 3.967 4.199 -0.232 1
1 1788 . 19 1 1 A 145 145 GLY HA3 H 145 3.967 4.202 -0.235 1
1 1789 . 19 1 1 A 145 145 GLY C C 145 174.123 172.395 1.728 1
1 1790 . 19 1 1 A 146 146 MET N N 146 119.836 121.192 -1.356 1
1 1791 . 19 1 1 A 146 146 MET H H 146 8.197 8.444 -0.247 1
1 1792 . 19 1 1 A 146 146 MET CA C 146 55.594 54.024 1.570 1
1 1793 . 19 1 1 A 146 146 MET HA H 146 4.538 5.178 -0.640 1
1 1794 . 19 1 1 A 146 146 MET CB C 146 33.090 35.062 -1.972 1
1 1804 . 19 1 1 A 146 146 MET C C 146 176.454 175.145 1.309 1
1 1805 . 19 1 1 A 147 147 THR N N 147 116.248 117.048 -0.800 1
1 1806 . 19 1 1 A 147 147 THR H H 147 8.239 8.461 -0.222 1
1 1807 . 19 1 1 A 147 147 THR CA C 147 61.959 62.656 -0.697 1
1 1808 . 19 1 1 A 147 147 THR HA H 147 4.318 4.231 0.087 1
1 1809 . 19 1 1 A 147 147 THR CB C 147 69.875 68.834 1.041 1
1 1815 . 19 1 1 A 147 147 THR C C 147 174.141 174.694 -0.553 1
1 1816 . 19 1 1 A 148 148 LYS N N 148 125.399 125.080 0.319 1
1 1817 . 19 1 1 A 148 148 LYS H H 148 8.387 8.172 0.215 1
1 1818 . 19 1 1 A 148 148 LYS CA C 148 54.186 54.174 0.012 1
1 1819 . 19 1 1 A 148 148 LYS HA H 148 4.617 4.821 -0.204 1
1 1820 . 19 1 1 A 148 148 LYS CB C 148 32.651 33.347 -0.696 1
1 1832 . 19 1 1 A 148 148 LYS C C 148 174.388 175.097 -0.709 1
1 1833 . 19 1 1 A 149 149 PRO CA C 149 63.178 62.707 0.471 1
1 1834 . 19 1 1 A 149 149 PRO HA H 149 4.406 4.874 -0.468 1
1 1835 . 19 1 1 A 149 149 PRO CB C 149 32.164 32.822 -0.658 1
1 1844 . 19 1 1 A 150 150 HIS CA C 150 56.264 53.885 2.379 1
1 1845 . 19 1 1 A 150 150 HIS HA H 150 4.626 5.359 -0.733 1
1 1846 . 19 1 1 A 150 150 HIS CB C 150 30.574 32.639 -2.065 1
1 1852 . 19 1 1 A 151 151 SER CA C 151 58.018 57.013 1.005 1
1 1853 . 19 1 1 A 151 151 SER HA H 151 4.475 5.161 -0.686 1
1 1854 . 19 1 1 A 151 151 SER CB C 151 64.139 66.654 -2.515 1
1 1856 . 19 1 1 A 151 151 SER C C 151 174.253 173.162 1.091 1
1 1857 . 19 1 1 A 152 152 GLY N N 152 110.964 109.341 1.623 1
1 1858 . 19 1 1 A 152 152 GLY H H 152 8.276 8.574 -0.298 1
1 1859 . 19 1 1 A 152 152 GLY CA C 152 44.637 44.744 -0.107 1
1 1860 . 19 1 1 A 152 152 GLY HA2 H 152 4.120 4.243 -0.123 1
1 1861 . 19 1 1 A 152 152 GLY HA3 H 152 4.120 4.271 -0.151 1
1 1862 . 19 1 1 A 152 152 GLY C C 152 171.668 172.354 -0.686 1
1 1863 . 19 1 1 A 153 153 PRO CA C 153 63.147 62.464 0.683 1
1 1864 . 19 1 1 A 153 153 PRO HA H 153 4.425 4.639 -0.214 1
1 1865 . 19 1 1 A 153 153 PRO CB C 153 32.149 33.234 -1.085 1
1 1874 . 19 1 1 A 153 153 PRO C C 153 176.656 174.903 1.753 1
1 1875 . 19 1 1 A 154 154 ASP N N 154 120.420 120.944 -0.524 1
1 1876 . 19 1 1 A 154 154 ASP H H 154 8.463 8.882 -0.419 1
1 1877 . 19 1 1 A 154 154 ASP CA C 154 54.429 53.469 0.960 1
1 1878 . 19 1 1 A 154 154 ASP HA H 154 4.575 5.020 -0.445 1
1 1879 . 19 1 1 A 154 154 ASP CB C 154 40.979 44.561 -3.582 1
1 1882 . 19 1 1 A 154 154 ASP C C 154 176.163 174.540 1.623 1
1 1883 . 19 1 1 A 155 155 LEU N N 155 123.563 121.556 2.007 1
1 1884 . 19 1 1 A 155 155 LEU H H 155 8.266 8.548 -0.282 1
1 1885 . 19 1 1 A 155 155 LEU CA C 155 55.022 54.088 0.934 1
1 1886 . 19 1 1 A 155 155 LEU HA H 155 4.358 4.363 -0.005 1
1 1887 . 19 1 1 A 155 155 LEU CB C 155 42.157 43.377 -1.220 1
1 1900 . 19 1 1 A 155 155 LEU C C 155 176.990 176.237 0.753 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.655 59.733 -1.078 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.501 4.220 0.281 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.644 63.205 0.439 1
1 6 . 20 1 1 A 6 6 SER C C 6 175.063 175.215 -0.152 1
1 7 . 20 1 1 A 7 7 GLY N N 7 111.113 114.224 -3.111 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.473 8.540 -0.067 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.373 45.600 -0.227 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 3.967 4.023 -0.056 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 3.967 4.023 -0.056 1
1 12 . 20 1 1 A 7 7 GLY C C 7 173.934 174.536 -0.602 1
1 13 . 20 1 1 A 8 8 ALA N N 8 123.788 122.508 1.280 1
1 14 . 20 1 1 A 8 8 ALA H H 8 8.197 8.365 -0.168 1
1 15 . 20 1 1 A 8 8 ALA CA C 8 52.548 53.247 -0.699 1
1 16 . 20 1 1 A 8 8 ALA HA H 8 4.342 4.014 0.328 1
1 17 . 20 1 1 A 8 8 ALA CB C 8 19.403 17.492 1.911 1
1 21 . 20 1 1 A 8 8 ALA C C 8 177.902 176.060 1.842 1
1 22 . 20 1 1 A 9 9 GLU N N 9 120.004 116.598 3.406 1
1 23 . 20 1 1 A 9 9 GLU H H 9 8.524 7.892 0.632 1
1 24 . 20 1 1 A 9 9 GLU CA C 9 56.763 55.089 1.674 1
1 25 . 20 1 1 A 9 9 GLU HA H 9 4.308 4.523 -0.215 1
1 26 . 20 1 1 A 9 9 GLU CB C 9 30.161 28.823 1.338 1
1 32 . 20 1 1 A 9 9 GLU C C 9 176.646 174.804 1.842 1
1 33 . 20 1 1 A 10 10 SER N N 10 116.268 119.300 -3.032 1
1 34 . 20 1 1 A 10 10 SER H H 10 8.305 8.670 -0.365 1
1 35 . 20 1 1 A 10 10 SER CA C 10 58.426 55.867 2.559 1
1 36 . 20 1 1 A 10 10 SER HA H 10 4.429 4.905 -0.476 1
1 37 . 20 1 1 A 10 10 SER CB C 10 63.933 66.040 -2.107 1
1 40 . 20 1 1 A 10 10 SER C C 10 174.267 173.159 1.108 1
1 41 . 20 1 1 A 11 11 GLU N N 11 122.435 122.982 -0.547 1
1 42 . 20 1 1 A 11 11 GLU H H 11 8.368 8.491 -0.123 1
1 43 . 20 1 1 A 11 11 GLU CA C 11 56.233 57.796 -1.563 1
1 44 . 20 1 1 A 11 11 GLU HA H 11 4.367 4.310 0.057 1
1 45 . 20 1 1 A 11 11 GLU CB C 11 30.692 30.355 0.337 1
1 51 . 20 1 1 A 11 11 GLU C C 11 175.800 176.403 -0.603 1
1 52 . 20 1 1 A 12 12 SER N N 12 116.596 117.943 -1.347 1
1 53 . 20 1 1 A 12 12 SER H H 12 8.299 8.608 -0.309 1
1 54 . 20 1 1 A 12 12 SER CA C 12 58.355 57.090 1.265 1
1 55 . 20 1 1 A 12 12 SER HA H 12 4.457 5.384 -0.927 1
1 56 . 20 1 1 A 12 12 SER CB C 12 64.573 66.205 -1.632 1
1 59 . 20 1 1 A 12 12 SER C C 12 173.309 173.289 0.020 1
1 60 . 20 1 1 A 13 13 PHE N N 13 121.293 120.167 1.126 1
1 61 . 20 1 1 A 13 13 PHE H H 13 8.346 8.933 -0.587 1
1 62 . 20 1 1 A 13 13 PHE CA C 13 56.851 56.131 0.720 1
1 63 . 20 1 1 A 13 13 PHE HA H 13 5.384 5.371 0.013 1
1 64 . 20 1 1 A 13 13 PHE CB C 13 42.542 43.457 -0.915 1
1 77 . 20 1 1 A 13 13 PHE C C 13 174.500 174.736 -0.236 1
1 78 . 20 1 1 A 14 14 VAL N N 14 116.020 116.135 -0.115 1
1 79 . 20 1 1 A 14 14 VAL H H 14 9.313 8.942 0.371 1
1 80 . 20 1 1 A 14 14 VAL CA C 14 60.141 59.520 0.621 1
1 81 . 20 1 1 A 14 14 VAL HA H 14 4.455 4.847 -0.392 1
1 82 . 20 1 1 A 14 14 VAL CB C 14 36.318 36.302 0.016 1
1 92 . 20 1 1 A 14 14 VAL C C 14 174.668 174.315 0.353 1
1 93 . 20 1 1 A 15 15 LEU N N 15 121.725 121.196 0.529 1
1 94 . 20 1 1 A 15 15 LEU H H 15 8.476 8.636 -0.160 1
1 95 . 20 1 1 A 15 15 LEU CA C 15 54.800 53.043 1.757 1
1 96 . 20 1 1 A 15 15 LEU HA H 15 4.403 4.851 -0.448 1
1 97 . 20 1 1 A 15 15 LEU CB C 15 39.816 42.724 -2.908 1
1 110 . 20 1 1 A 15 15 LEU C C 15 177.001 176.477 0.524 1
1 111 . 20 1 1 A 16 16 ASP N N 16 126.576 125.129 1.447 1
1 112 . 20 1 1 A 16 16 ASP H H 16 8.766 8.778 -0.012 1
1 113 . 20 1 1 A 16 16 ASP CA C 16 52.828 53.706 -0.878 1
1 114 . 20 1 1 A 16 16 ASP HA H 16 5.081 4.844 0.237 1
1 115 . 20 1 1 A 16 16 ASP CB C 16 42.268 41.055 1.213 1
1 118 . 20 1 1 A 16 16 ASP C C 16 174.640 175.773 -1.133 1
1 119 . 20 1 1 A 17 17 PHE N N 17 112.958 117.484 -4.526 1
1 120 . 20 1 1 A 17 17 PHE H H 17 6.915 7.140 -0.225 1
1 121 . 20 1 1 A 17 17 PHE CA C 17 55.489 56.211 -0.722 1
1 122 . 20 1 1 A 17 17 PHE HA H 17 4.938 5.087 -0.149 1
1 123 . 20 1 1 A 17 17 PHE CB C 17 39.154 41.102 -1.948 1
1 136 . 20 1 1 A 17 17 PHE C C 17 173.746 172.865 0.881 1
1 137 . 20 1 1 A 18 18 SER N N 18 114.977 117.230 -2.253 1
1 138 . 20 1 1 A 18 18 SER H H 18 8.569 8.986 -0.417 1
1 139 . 20 1 1 A 18 18 SER CA C 18 57.046 58.599 -1.553 1
1 140 . 20 1 1 A 18 18 SER HA H 18 4.670 4.702 -0.032 1
1 141 . 20 1 1 A 18 18 SER CB C 18 63.974 63.794 0.180 1
1 144 . 20 1 1 A 18 18 SER C C 18 175.437 174.825 0.612 1
1 145 . 20 1 1 A 19 19 GLN N N 19 123.586 123.553 0.033 1
1 146 . 20 1 1 A 19 19 GLN H H 19 9.033 8.438 0.595 1
1 147 . 20 1 1 A 19 19 GLN CA C 19 54.023 55.075 -1.052 1
1 148 . 20 1 1 A 19 19 GLN HA H 19 4.558 4.419 0.139 1
1 149 . 20 1 1 A 19 19 GLN CB C 19 27.994 28.435 -0.441 1
1 158 . 20 1 1 A 19 19 GLN C C 19 177.642 176.303 1.339 1
1 159 . 20 1 1 A 20 20 PRO CA C 20 65.836 65.266 0.570 1
1 160 . 20 1 1 A 20 20 PRO HA H 20 4.370 4.527 -0.157 1
1 161 . 20 1 1 A 20 20 PRO CB C 20 32.556 32.227 0.329 1
1 170 . 20 1 1 A 20 20 PRO C C 20 178.374 178.547 -0.173 1
1 171 . 20 1 1 A 21 21 SER N N 21 104.386 112.429 -8.043 1
1 172 . 20 1 1 A 21 21 SER H H 21 7.216 7.983 -0.767 1
1 173 . 20 1 1 A 21 21 SER CA C 21 58.886 61.236 -2.350 1
1 174 . 20 1 1 A 21 21 SER HA H 21 3.271 3.807 -0.536 1
1 175 . 20 1 1 A 21 21 SER CB C 21 62.401 62.349 0.052 1
1 178 . 20 1 1 A 21 21 SER C C 21 174.423 176.762 -2.339 1
1 179 . 20 1 1 A 22 22 ALA N N 22 123.008 123.114 -0.106 1
1 180 . 20 1 1 A 22 22 ALA H H 22 7.700 7.872 -0.172 1
1 181 . 20 1 1 A 22 22 ALA CA C 22 53.968 55.629 -1.661 1
1 182 . 20 1 1 A 22 22 ALA HA H 22 4.198 4.067 0.131 1
1 183 . 20 1 1 A 22 22 ALA CB C 22 18.504 19.058 -0.554 1
1 187 . 20 1 1 A 22 22 ALA C C 22 177.624 177.874 -0.250 1
1 188 . 20 1 1 A 23 23 ASP N N 23 117.789 117.816 -0.027 1
1 189 . 20 1 1 A 23 23 ASP H H 23 7.080 7.931 -0.851 1
1 190 . 20 1 1 A 23 23 ASP CA C 23 52.151 53.361 -1.210 1
1 191 . 20 1 1 A 23 23 ASP HA H 23 4.893 4.965 -0.072 1
1 192 . 20 1 1 A 23 23 ASP CB C 23 40.592 40.475 0.117 1
1 195 . 20 1 1 A 23 23 ASP C C 23 175.032 175.985 -0.953 1
1 196 . 20 1 1 A 24 24 TYR N N 24 123.295 126.664 -3.369 1
1 197 . 20 1 1 A 24 24 TYR H H 24 8.217 8.966 -0.749 1
1 198 . 20 1 1 A 24 24 TYR CA C 24 61.711 61.647 0.064 1
1 199 . 20 1 1 A 24 24 TYR HA H 24 4.196 4.038 0.158 1
1 200 . 20 1 1 A 24 24 TYR CB C 24 38.456 39.398 -0.942 1
1 211 . 20 1 1 A 24 24 TYR C C 24 177.434 177.232 0.202 1
1 212 . 20 1 1 A 25 25 LEU N N 25 119.429 121.048 -1.619 1
1 213 . 20 1 1 A 25 25 LEU H H 25 8.074 8.502 -0.428 1
1 214 . 20 1 1 A 25 25 LEU CA C 25 57.691 58.407 -0.716 1
1 215 . 20 1 1 A 25 25 LEU HA H 25 3.967 3.809 0.158 1
1 216 . 20 1 1 A 25 25 LEU CB C 25 41.388 41.509 -0.121 1
1 229 . 20 1 1 A 25 25 LEU C C 25 178.768 178.436 0.332 1
1 230 . 20 1 1 A 26 26 ASP N N 26 119.881 118.822 1.059 1
1 231 . 20 1 1 A 26 26 ASP H H 26 7.561 8.269 -0.708 1
1 232 . 20 1 1 A 26 26 ASP CA C 26 57.625 56.788 0.837 1
1 233 . 20 1 1 A 26 26 ASP HA H 26 4.367 4.326 0.041 1
1 234 . 20 1 1 A 26 26 ASP CB C 26 42.955 41.511 1.444 1
1 237 . 20 1 1 A 26 26 ASP C C 26 177.657 178.481 -0.824 1
1 238 . 20 1 1 A 27 27 PHE N N 27 118.946 120.526 -1.580 1
1 239 . 20 1 1 A 27 27 PHE H H 27 8.750 8.304 0.446 1
1 240 . 20 1 1 A 27 27 PHE CA C 27 61.323 61.111 0.212 1
1 241 . 20 1 1 A 27 27 PHE HA H 27 4.088 4.149 -0.061 1
1 242 . 20 1 1 A 27 27 PHE CB C 27 39.606 39.489 0.117 1
1 255 . 20 1 1 A 27 27 PHE C C 27 176.662 177.189 -0.527 1
1 256 . 20 1 1 A 28 28 ARG N N 28 116.744 118.572 -1.828 1
1 257 . 20 1 1 A 28 28 ARG H H 28 8.079 8.421 -0.342 1
1 258 . 20 1 1 A 28 28 ARG CA C 28 59.051 58.654 0.397 1
1 259 . 20 1 1 A 28 28 ARG HA H 28 3.590 3.859 -0.269 1
1 260 . 20 1 1 A 28 28 ARG CB C 28 29.516 30.025 -0.509 1
1 269 . 20 1 1 A 28 28 ARG C C 28 179.306 178.229 1.077 1
1 270 . 20 1 1 A 29 29 ASN N N 29 119.381 117.810 1.571 1
1 271 . 20 1 1 A 29 29 ASN H H 29 8.106 8.473 -0.367 1
1 272 . 20 1 1 A 29 29 ASN CA C 29 55.861 55.806 0.055 1
1 273 . 20 1 1 A 29 29 ASN HA H 29 4.361 4.284 0.077 1
1 274 . 20 1 1 A 29 29 ASN CB C 29 37.622 38.346 -0.724 1
1 280 . 20 1 1 A 29 29 ASN C C 29 178.555 177.907 0.648 1
1 281 . 20 1 1 A 30 30 ARG N N 30 123.244 119.151 4.093 1
1 282 . 20 1 1 A 30 30 ARG H H 30 8.640 7.761 0.879 1
1 283 . 20 1 1 A 30 30 ARG CA C 30 59.708 58.449 1.259 1
1 284 . 20 1 1 A 30 30 ARG HA H 30 3.912 4.010 -0.098 1
1 285 . 20 1 1 A 30 30 ARG CB C 30 30.910 30.235 0.675 1
1 296 . 20 1 1 A 30 30 ARG C C 30 178.651 178.590 0.061 1
1 297 . 20 1 1 A 31 31 LEU N N 31 119.911 121.440 -1.529 1
1 298 . 20 1 1 A 31 31 LEU H H 31 7.988 7.427 0.561 1
1 299 . 20 1 1 A 31 31 LEU CA C 31 58.049 56.692 1.357 1
1 300 . 20 1 1 A 31 31 LEU HA H 31 3.409 3.901 -0.492 1
1 301 . 20 1 1 A 31 31 LEU CB C 31 41.342 41.209 0.133 1
1 314 . 20 1 1 A 31 31 LEU C C 31 178.698 177.951 0.747 1
1 315 . 20 1 1 A 32 32 GLN N N 32 114.904 118.043 -3.139 1
1 316 . 20 1 1 A 32 32 GLN H H 32 7.416 8.183 -0.767 1
1 317 . 20 1 1 A 32 32 GLN CA C 32 58.019 57.373 0.646 1
1 318 . 20 1 1 A 32 32 GLN HA H 32 3.891 4.170 -0.279 1
1 319 . 20 1 1 A 32 32 GLN CB C 32 28.679 28.987 -0.308 1
1 328 . 20 1 1 A 32 32 GLN C C 32 176.457 176.847 -0.390 1
1 329 . 20 1 1 A 33 33 ALA N N 33 119.088 120.584 -1.496 1
1 330 . 20 1 1 A 33 33 ALA H H 33 7.791 7.538 0.253 1
1 331 . 20 1 1 A 33 33 ALA CA C 33 54.057 52.779 1.278 1
1 332 . 20 1 1 A 33 33 ALA HA H 33 4.099 4.118 -0.019 1
1 333 . 20 1 1 A 33 33 ALA CB C 33 19.921 19.265 0.656 1
1 337 . 20 1 1 A 33 33 ALA C C 33 178.303 177.121 1.182 1
1 338 . 20 1 1 A 34 34 ASP N N 34 115.377 117.275 -1.898 1
1 339 . 20 1 1 A 34 34 ASP H H 34 8.662 7.780 0.882 1
1 340 . 20 1 1 A 34 34 ASP CA C 34 55.153 53.208 1.945 1
1 341 . 20 1 1 A 34 34 ASP HA H 34 4.698 4.550 0.148 1
1 342 . 20 1 1 A 34 34 ASP CB C 34 41.976 41.084 0.892 1
1 345 . 20 1 1 A 34 34 ASP C C 34 177.531 175.153 2.378 1
1 346 . 20 1 1 A 35 35 HIS N N 35 108.110 116.071 -7.961 1
1 347 . 20 1 1 A 35 35 HIS H H 35 7.018 7.609 -0.591 1
1 348 . 20 1 1 A 35 35 HIS CA C 35 58.336 56.791 1.545 1
1 349 . 20 1 1 A 35 35 HIS HA H 35 4.543 4.363 0.180 1
1 350 . 20 1 1 A 35 35 HIS CB C 35 26.472 26.672 -0.200 1
1 357 . 20 1 1 A 35 35 HIS C C 35 171.507 173.322 -1.815 1
1 358 . 20 1 1 A 36 36 VAL N N 36 115.529 116.606 -1.077 1
1 359 . 20 1 1 A 36 36 VAL H H 36 7.065 7.395 -0.330 1
1 360 . 20 1 1 A 36 36 VAL CA C 36 58.549 60.673 -2.124 1
1 361 . 20 1 1 A 36 36 VAL HA H 36 4.867 4.237 0.630 1
1 362 . 20 1 1 A 36 36 VAL CB C 36 33.135 34.324 -1.189 1
1 372 . 20 1 1 A 36 36 VAL C C 36 171.953 173.661 -1.708 1
1 373 . 20 1 1 A 37 37 CYS N N 37 124.685 124.517 0.168 1
1 374 . 20 1 1 A 37 37 CYS H H 37 8.694 8.103 0.591 1
1 375 . 20 1 1 A 37 37 CYS CA C 37 59.979 58.279 1.700 1
1 376 . 20 1 1 A 37 37 CYS HA H 37 4.594 4.916 -0.322 1
1 377 . 20 1 1 A 37 37 CYS CB C 37 29.016 30.922 -1.906 1
1 380 . 20 1 1 A 37 37 CYS C C 37 173.445 172.814 0.631 1
1 381 . 20 1 1 A 38 38 LEU N N 38 132.291 126.714 5.577 1
1 382 . 20 1 1 A 38 38 LEU H H 38 9.625 8.860 0.765 1
1 383 . 20 1 1 A 38 38 LEU CA C 38 57.958 54.876 3.082 1
1 384 . 20 1 1 A 38 38 LEU HA H 38 4.167 4.800 -0.633 1
1 385 . 20 1 1 A 38 38 LEU CB C 38 42.189 42.905 -0.716 1
1 398 . 20 1 1 A 38 38 LEU C C 38 173.188 177.013 -3.825 1
1 399 . 20 1 1 A 39 39 GLU N N 39 127.988 128.070 -0.082 1
1 400 . 20 1 1 A 39 39 GLU H H 39 9.267 9.244 0.023 1
1 401 . 20 1 1 A 39 39 GLU CA C 39 57.435 58.689 -1.254 1
1 402 . 20 1 1 A 39 39 GLU HA H 39 4.521 4.319 0.202 1
1 403 . 20 1 1 A 39 39 GLU CB C 39 31.891 30.287 1.604 1
1 409 . 20 1 1 A 39 39 GLU C C 39 175.300 176.480 -1.180 1
1 410 . 20 1 1 A 40 40 ASN N N 40 115.109 113.047 2.062 1
1 411 . 20 1 1 A 40 40 ASN H H 40 7.757 7.766 -0.009 1
1 412 . 20 1 1 A 40 40 ASN CA C 40 52.151 51.864 0.287 1
1 413 . 20 1 1 A 40 40 ASN HA H 40 5.353 5.299 0.054 1
1 414 . 20 1 1 A 40 40 ASN CB C 40 43.324 41.950 1.374 1
1 420 . 20 1 1 A 40 40 ASN C C 40 173.918 173.136 0.782 1
1 421 . 20 1 1 A 41 41 CYS N N 41 120.861 120.170 0.691 1
1 422 . 20 1 1 A 41 41 CYS H H 41 9.646 8.938 0.708 1
1 423 . 20 1 1 A 41 41 CYS CA C 41 58.934 57.349 1.585 1
1 424 . 20 1 1 A 41 41 CYS HA H 41 5.167 5.173 -0.006 1
1 425 . 20 1 1 A 41 41 CYS CB C 41 30.293 29.409 0.884 1
1 428 . 20 1 1 A 41 41 CYS C C 41 171.600 174.153 -2.553 1
1 429 . 20 1 1 A 42 42 VAL N N 42 126.721 124.866 1.855 1
1 430 . 20 1 1 A 42 42 VAL H H 42 9.532 9.061 0.471 1
1 431 . 20 1 1 A 42 42 VAL CA C 42 60.463 60.693 -0.230 1
1 432 . 20 1 1 A 42 42 VAL HA H 42 4.454 4.561 -0.107 1
1 433 . 20 1 1 A 42 42 VAL CB C 42 35.496 33.231 2.265 1
1 443 . 20 1 1 A 42 42 VAL C C 42 173.645 174.322 -0.677 1
1 444 . 20 1 1 A 43 43 LEU N N 43 127.183 124.513 2.670 1
1 445 . 20 1 1 A 43 43 LEU H H 43 8.597 8.569 0.028 1
1 446 . 20 1 1 A 43 43 LEU CA C 43 54.209 53.524 0.685 1
1 447 . 20 1 1 A 43 43 LEU HA H 43 5.050 5.171 -0.121 1
1 448 . 20 1 1 A 43 43 LEU CB C 43 43.450 46.668 -3.218 1
1 461 . 20 1 1 A 43 43 LEU C C 43 176.151 174.418 1.733 1
1 462 . 20 1 1 A 44 44 LYS N N 44 127.086 124.846 2.240 1
1 463 . 20 1 1 A 44 44 LYS H H 44 8.726 8.750 -0.024 1
1 464 . 20 1 1 A 44 44 LYS CA C 44 55.033 54.152 0.881 1
1 465 . 20 1 1 A 44 44 LYS HA H 44 4.552 4.705 -0.153 1
1 466 . 20 1 1 A 44 44 LYS CB C 44 34.147 35.114 -0.967 1
1 478 . 20 1 1 A 44 44 LYS C C 44 175.176 176.839 -1.663 1
1 479 . 20 1 1 A 45 45 ASP N N 45 123.045 121.497 1.548 1
1 480 . 20 1 1 A 45 45 ASP H H 45 8.876 8.656 0.220 1
1 481 . 20 1 1 A 45 45 ASP CA C 45 56.515 57.960 -1.445 1
1 482 . 20 1 1 A 45 45 ASP HA H 45 4.321 4.234 0.087 1
1 483 . 20 1 1 A 45 45 ASP CB C 45 39.782 40.845 -1.063 1
1 486 . 20 1 1 A 45 45 ASP C C 45 175.339 177.133 -1.794 1
1 487 . 20 1 1 A 46 46 LYS N N 46 118.201 116.576 1.625 1
1 488 . 20 1 1 A 46 46 LYS H H 46 8.620 8.182 0.438 1
1 489 . 20 1 1 A 46 46 LYS CA C 46 56.158 55.275 0.883 1
1 490 . 20 1 1 A 46 46 LYS HA H 46 4.079 4.315 -0.236 1
1 491 . 20 1 1 A 46 46 LYS CB C 46 30.929 32.934 -2.005 1
1 503 . 20 1 1 A 46 46 LYS C C 46 174.615 175.152 -0.537 1
1 504 . 20 1 1 A 47 47 ALA N N 47 121.283 120.221 1.062 1
1 505 . 20 1 1 A 47 47 ALA H H 47 7.611 7.354 0.257 1
1 506 . 20 1 1 A 47 47 ALA CA C 47 51.809 51.526 0.283 1
1 507 . 20 1 1 A 47 47 ALA HA H 47 5.105 4.772 0.333 1
1 508 . 20 1 1 A 47 47 ALA CB C 47 22.739 23.168 -0.429 1
1 512 . 20 1 1 A 47 47 ALA C C 47 175.508 175.369 0.139 1
1 513 . 20 1 1 A 48 48 ILE N N 48 114.639 114.191 0.448 1
1 514 . 20 1 1 A 48 48 ILE H H 48 8.819 8.510 0.309 1
1 515 . 20 1 1 A 48 48 ILE CA C 48 59.017 59.153 -0.136 1
1 516 . 20 1 1 A 48 48 ILE HA H 48 5.230 5.140 0.090 1
1 517 . 20 1 1 A 48 48 ILE CB C 48 41.811 42.492 -0.681 1
1 530 . 20 1 1 A 48 48 ILE C C 48 172.954 174.447 -1.493 1
1 531 . 20 1 1 A 49 49 ALA N N 49 126.155 122.624 3.531 1
1 532 . 20 1 1 A 49 49 ALA H H 49 8.652 8.193 0.459 1
1 533 . 20 1 1 A 49 49 ALA CA C 49 50.095 51.236 -1.141 1
1 534 . 20 1 1 A 49 49 ALA HA H 49 4.769 5.050 -0.281 1
1 535 . 20 1 1 A 49 49 ALA CB C 49 22.651 22.268 0.383 1
1 539 . 20 1 1 A 49 49 ALA C C 49 175.812 175.687 0.125 1
1 540 . 20 1 1 A 50 50 GLY N N 50 105.980 107.242 -1.262 1
1 541 . 20 1 1 A 50 50 GLY H H 50 6.754 7.068 -0.314 1
1 542 . 20 1 1 A 50 50 GLY CA C 50 46.134 45.124 1.010 1
1 543 . 20 1 1 A 50 50 GLY HA2 H 50 3.803 3.900 -0.097 1
1 544 . 20 1 1 A 50 50 GLY HA3 H 50 4.077 4.059 0.018 1
1 545 . 20 1 1 A 50 50 GLY C C 50 172.510 172.298 0.212 1
1 546 . 20 1 1 A 51 51 THR N N 51 108.648 111.621 -2.973 1
1 547 . 20 1 1 A 51 51 THR H H 51 8.556 8.804 -0.248 1
1 548 . 20 1 1 A 51 51 THR CA C 51 59.116 60.188 -1.072 1
1 549 . 20 1 1 A 51 51 THR HA H 51 5.588 5.666 -0.078 1
1 550 . 20 1 1 A 51 51 THR CB C 51 72.737 70.760 1.977 1
1 556 . 20 1 1 A 51 51 THR C C 51 174.087 173.770 0.317 1
1 557 . 20 1 1 A 52 52 VAL N N 52 122.025 125.884 -3.859 1
1 558 . 20 1 1 A 52 52 VAL H H 52 9.746 9.386 0.360 1
1 559 . 20 1 1 A 52 52 VAL CA C 52 61.371 61.164 0.207 1
1 560 . 20 1 1 A 52 52 VAL HA H 52 4.463 4.613 -0.150 1
1 561 . 20 1 1 A 52 52 VAL CB C 52 36.986 33.758 3.228 1
1 571 . 20 1 1 A 52 52 VAL C C 52 174.687 175.161 -0.474 1
1 572 . 20 1 1 A 53 53 LYS N N 53 125.115 126.711 -1.596 1
1 573 . 20 1 1 A 53 53 LYS H H 53 8.567 9.149 -0.582 1
1 574 . 20 1 1 A 53 53 LYS CA C 53 53.668 55.197 -1.529 1
1 575 . 20 1 1 A 53 53 LYS HA H 53 5.599 4.897 0.702 1
1 576 . 20 1 1 A 53 53 LYS CB C 53 37.855 34.756 3.099 1
1 588 . 20 1 1 A 53 53 LYS C C 53 174.697 175.917 -1.220 1
1 589 . 20 1 1 A 54 54 VAL N N 54 110.661 117.738 -7.077 1
1 590 . 20 1 1 A 54 54 VAL H H 54 8.498 8.623 -0.125 1
1 591 . 20 1 1 A 54 54 VAL CA C 54 57.682 58.756 -1.074 1
1 592 . 20 1 1 A 54 54 VAL HA H 54 4.825 4.391 0.434 1
1 593 . 20 1 1 A 54 54 VAL CB C 54 34.634 35.617 -0.983 1
1 603 . 20 1 1 A 54 54 VAL C C 54 176.105 173.911 2.194 1
1 604 . 20 1 1 A 55 55 GLN N N 55 119.414 121.131 -1.717 1
1 605 . 20 1 1 A 55 55 GLN H H 55 7.924 8.149 -0.225 1
1 606 . 20 1 1 A 55 55 GLN CA C 55 56.023 54.749 1.274 1
1 607 . 20 1 1 A 55 55 GLN HA H 55 4.456 4.612 -0.156 1
1 608 . 20 1 1 A 55 55 GLN CB C 55 30.216 30.367 -0.151 1
1 617 . 20 1 1 A 55 55 GLN C C 55 176.800 175.488 1.312 1
1 618 . 20 1 1 A 56 56 ASN N N 56 125.676 121.532 4.144 1
1 619 . 20 1 1 A 56 56 ASN H H 56 8.837 8.698 0.139 1
1 620 . 20 1 1 A 56 56 ASN CA C 56 53.190 51.804 1.386 1
1 621 . 20 1 1 A 56 56 ASN HA H 56 4.575 4.763 -0.188 1
1 622 . 20 1 1 A 56 56 ASN CB C 56 36.855 36.825 0.030 1
1 628 . 20 1 1 A 56 56 ASN C C 56 174.747 175.950 -1.203 1
1 629 . 20 1 1 A 57 57 LEU N N 57 124.779 125.447 -0.668 1
1 630 . 20 1 1 A 57 57 LEU H H 57 7.284 8.284 -1.000 1
1 631 . 20 1 1 A 57 57 LEU CA C 57 55.224 57.115 -1.891 1
1 632 . 20 1 1 A 57 57 LEU HA H 57 4.326 4.209 0.117 1
1 633 . 20 1 1 A 57 57 LEU CB C 57 43.634 42.748 0.886 1
1 646 . 20 1 1 A 57 57 LEU C C 57 176.186 176.831 -0.645 1
1 647 . 20 1 1 A 58 58 ALA N N 58 119.342 119.304 0.038 1
1 648 . 20 1 1 A 58 58 ALA H H 58 7.724 8.035 -0.311 1
1 649 . 20 1 1 A 58 58 ALA CA C 58 51.687 50.235 1.452 1
1 650 . 20 1 1 A 58 58 ALA HA H 58 4.343 4.825 -0.482 1
1 651 . 20 1 1 A 58 58 ALA CB C 58 21.122 21.524 -0.402 1
1 655 . 20 1 1 A 58 58 ALA C C 58 175.847 177.886 -2.039 1
1 656 . 20 1 1 A 59 59 PHE N N 59 118.235 120.907 -2.672 1
1 657 . 20 1 1 A 59 59 PHE H H 59 8.231 9.104 -0.873 1
1 658 . 20 1 1 A 59 59 PHE CA C 59 60.105 62.390 -2.285 1
1 659 . 20 1 1 A 59 59 PHE HA H 59 4.428 4.065 0.363 1
1 660 . 20 1 1 A 59 59 PHE CB C 59 40.386 39.778 0.608 1
1 673 . 20 1 1 A 59 59 PHE C C 59 176.670 175.370 1.300 1
1 674 . 20 1 1 A 60 60 GLU N N 60 120.295 117.489 2.806 1
1 675 . 20 1 1 A 60 60 GLU H H 60 8.482 8.070 0.412 1
1 676 . 20 1 1 A 60 60 GLU CA C 60 57.134 55.929 1.205 1
1 677 . 20 1 1 A 60 60 GLU HA H 60 4.306 4.861 -0.555 1
1 678 . 20 1 1 A 60 60 GLU CB C 60 29.569 31.038 -1.469 1
1 684 . 20 1 1 A 60 60 GLU C C 60 175.584 176.219 -0.635 1
1 685 . 20 1 1 A 61 61 LYS N N 61 123.512 120.523 2.989 1
1 686 . 20 1 1 A 61 61 LYS H H 61 8.377 8.652 -0.275 1
1 687 . 20 1 1 A 61 61 LYS CA C 61 55.939 54.950 0.989 1
1 688 . 20 1 1 A 61 61 LYS HA H 61 5.038 5.311 -0.273 1
1 689 . 20 1 1 A 61 61 LYS CB C 61 37.890 37.167 0.723 1
1 701 . 20 1 1 A 61 61 LYS C C 61 175.510 175.488 0.022 1
1 702 . 20 1 1 A 62 62 THR N N 62 117.107 119.496 -2.389 1
1 703 . 20 1 1 A 62 62 THR H H 62 8.285 8.394 -0.109 1
1 704 . 20 1 1 A 62 62 THR CA C 62 62.340 61.728 0.612 1
1 705 . 20 1 1 A 62 62 THR HA H 62 4.435 4.740 -0.305 1
1 706 . 20 1 1 A 62 62 THR CB C 62 71.605 69.696 1.909 1
1 712 . 20 1 1 A 62 62 THR C C 62 172.156 173.429 -1.273 1
1 713 . 20 1 1 A 63 63 VAL N N 63 128.402 127.659 0.743 1
1 714 . 20 1 1 A 63 63 VAL H H 63 8.719 8.990 -0.271 1
1 715 . 20 1 1 A 63 63 VAL CA C 63 60.707 61.458 -0.751 1
1 716 . 20 1 1 A 63 63 VAL HA H 63 4.755 4.763 -0.008 1
1 717 . 20 1 1 A 63 63 VAL CB C 63 35.210 32.575 2.635 1
1 727 . 20 1 1 A 63 63 VAL C C 63 174.313 175.718 -1.405 1
1 728 . 20 1 1 A 64 64 LYS N N 64 123.629 126.008 -2.379 1
1 729 . 20 1 1 A 64 64 LYS H H 64 8.519 8.583 -0.064 1
1 730 . 20 1 1 A 64 64 LYS CA C 64 54.850 54.820 0.030 1
1 731 . 20 1 1 A 64 64 LYS HA H 64 4.997 5.232 -0.235 1
1 732 . 20 1 1 A 64 64 LYS CB C 64 37.343 36.255 1.088 1
1 744 . 20 1 1 A 64 64 LYS C C 64 173.348 175.496 -2.148 1
1 745 . 20 1 1 A 65 65 ILE N N 65 119.250 124.731 -5.481 1
1 746 . 20 1 1 A 65 65 ILE H H 65 8.637 8.474 0.163 1
1 747 . 20 1 1 A 65 65 ILE CA C 65 57.894 60.622 -2.728 1
1 748 . 20 1 1 A 65 65 ILE HA H 65 4.451 4.608 -0.157 1
1 749 . 20 1 1 A 65 65 ILE CB C 65 37.638 38.413 -0.775 1
1 762 . 20 1 1 A 65 65 ILE C C 65 174.893 174.802 0.091 1
1 763 . 20 1 1 A 66 66 ARG N N 66 130.193 128.798 1.395 1
1 764 . 20 1 1 A 66 66 ARG H H 66 9.244 8.916 0.328 1
1 765 . 20 1 1 A 66 66 ARG CA C 66 55.930 56.113 -0.183 1
1 766 . 20 1 1 A 66 66 ARG HA H 66 5.440 4.764 0.676 1
1 767 . 20 1 1 A 66 66 ARG CB C 66 31.514 31.087 0.427 1
1 778 . 20 1 1 A 66 66 ARG C C 66 174.161 175.014 -0.853 1
1 779 . 20 1 1 A 67 67 MET N N 67 128.046 128.462 -0.416 1
1 780 . 20 1 1 A 67 67 MET H H 67 9.343 8.826 0.517 1
1 781 . 20 1 1 A 67 67 MET CA C 67 54.217 54.047 0.170 1
1 782 . 20 1 1 A 67 67 MET HA H 67 5.318 5.206 0.112 1
1 783 . 20 1 1 A 67 67 MET CB C 67 37.533 35.462 2.071 1
1 793 . 20 1 1 A 67 67 MET C C 67 173.432 173.961 -0.529 1
1 794 . 20 1 1 A 68 68 THR N N 68 118.404 116.672 1.732 1
1 795 . 20 1 1 A 68 68 THR H H 68 8.474 7.940 0.534 1
1 796 . 20 1 1 A 68 68 THR CA C 68 58.903 59.684 -0.781 1
1 797 . 20 1 1 A 68 68 THR HA H 68 3.948 4.819 -0.871 1
1 798 . 20 1 1 A 68 68 THR CB C 68 71.091 70.669 0.422 1
1 804 . 20 1 1 A 68 68 THR C C 68 170.783 172.546 -1.763 1
1 805 . 20 1 1 A 69 69 PHE N N 69 124.029 123.313 0.716 1
1 806 . 20 1 1 A 69 69 PHE H H 69 8.910 9.062 -0.152 1
1 807 . 20 1 1 A 69 69 PHE CA C 69 55.772 57.694 -1.922 1
1 808 . 20 1 1 A 69 69 PHE HA H 69 4.783 4.817 -0.034 1
1 809 . 20 1 1 A 69 69 PHE CB C 69 39.748 40.141 -0.393 1
1 822 . 20 1 1 A 69 69 PHE C C 69 174.951 175.029 -0.078 1
1 823 . 20 1 1 A 70 70 ASP N N 70 121.457 119.408 2.049 1
1 824 . 20 1 1 A 70 70 ASP H H 70 8.841 7.202 1.639 1
1 825 . 20 1 1 A 70 70 ASP CA C 70 52.288 52.738 -0.450 1
1 826 . 20 1 1 A 70 70 ASP HA H 70 4.661 5.054 -0.393 1
1 827 . 20 1 1 A 70 70 ASP CB C 70 40.026 41.760 -1.734 1
1 830 . 20 1 1 A 70 70 ASP C C 70 177.065 175.871 1.194 1
1 831 . 20 1 1 A 71 71 THR N N 71 114.661 116.609 -1.948 1
1 832 . 20 1 1 A 71 71 THR H H 71 8.724 8.741 -0.017 1
1 833 . 20 1 1 A 71 71 THR CA C 71 63.824 63.144 0.680 1
1 834 . 20 1 1 A 71 71 THR HA H 71 3.181 4.025 -0.844 1
1 835 . 20 1 1 A 71 71 THR CB C 71 66.535 67.070 -0.535 1
1 841 . 20 1 1 A 71 71 THR C C 71 173.648 174.020 -0.372 1
1 842 . 20 1 1 A 72 72 TRP N N 72 111.097 113.262 -2.165 1
1 843 . 20 1 1 A 72 72 TRP H H 72 8.854 8.031 0.823 1
1 844 . 20 1 1 A 72 72 TRP CA C 72 58.910 58.004 0.906 1
1 845 . 20 1 1 A 72 72 TRP HA H 72 3.951 4.291 -0.340 1
1 846 . 20 1 1 A 72 72 TRP CB C 72 24.332 26.430 -2.098 1
1 861 . 20 1 1 A 72 72 TRP C C 72 176.875 176.133 0.742 1
1 862 . 20 1 1 A 73 73 LYS N N 73 124.701 117.615 7.086 1
1 863 . 20 1 1 A 73 73 LYS H H 73 7.785 8.407 -0.622 1
1 864 . 20 1 1 A 73 73 LYS CA C 73 60.463 56.912 3.551 1
1 865 . 20 1 1 A 73 73 LYS HA H 73 4.174 4.506 -0.332 1
1 866 . 20 1 1 A 73 73 LYS CB C 73 31.024 35.031 -4.007 1
1 878 . 20 1 1 A 73 73 LYS C C 73 177.622 176.720 0.902 1
1 879 . 20 1 1 A 74 74 SER N N 74 117.041 112.795 4.246 1
1 880 . 20 1 1 A 74 74 SER H H 74 10.002 7.457 2.545 1
1 881 . 20 1 1 A 74 74 SER CA C 74 57.539 56.727 0.812 1
1 882 . 20 1 1 A 74 74 SER HA H 74 4.556 4.698 -0.142 1
1 883 . 20 1 1 A 74 74 SER CB C 74 66.372 63.521 2.851 1
1 886 . 20 1 1 A 74 74 SER C C 74 171.956 172.236 -0.280 1
1 887 . 20 1 1 A 75 75 TYR N N 75 113.320 125.154 -11.834 1
1 888 . 20 1 1 A 75 75 TYR H H 75 7.735 8.563 -0.828 1
1 889 . 20 1 1 A 75 75 TYR CA C 75 57.155 55.298 1.857 1
1 890 . 20 1 1 A 75 75 TYR HA H 75 5.229 6.027 -0.798 1
1 891 . 20 1 1 A 75 75 TYR CB C 75 40.745 42.224 -1.479 1
1 902 . 20 1 1 A 75 75 TYR C C 75 174.262 174.505 -0.243 1
1 903 . 20 1 1 A 76 76 THR N N 76 117.158 115.137 2.021 1
1 904 . 20 1 1 A 76 76 THR H H 76 9.212 8.605 0.607 1
1 905 . 20 1 1 A 76 76 THR CA C 76 62.104 61.184 0.920 1
1 906 . 20 1 1 A 76 76 THR HA H 76 4.318 4.858 -0.540 1
1 907 . 20 1 1 A 76 76 THR CB C 76 72.675 71.432 1.243 1
1 913 . 20 1 1 A 76 76 THR C C 76 171.344 172.722 -1.378 1
1 914 . 20 1 1 A 77 77 ASP N N 77 125.875 125.785 0.090 1
1 915 . 20 1 1 A 77 77 ASP H H 77 8.569 8.725 -0.156 1
1 916 . 20 1 1 A 77 77 ASP CA C 77 52.422 53.268 -0.846 1
1 917 . 20 1 1 A 77 77 ASP HA H 77 5.865 5.073 0.792 1
1 918 . 20 1 1 A 77 77 ASP CB C 77 41.512 40.269 1.243 1
1 921 . 20 1 1 A 77 77 ASP C C 77 175.921 175.203 0.718 1
1 922 . 20 1 1 A 78 78 PHE N N 78 125.666 124.928 0.738 1
1 923 . 20 1 1 A 78 78 PHE H H 78 9.992 8.317 1.675 1
1 924 . 20 1 1 A 78 78 PHE CA C 78 55.578 56.536 -0.958 1
1 925 . 20 1 1 A 78 78 PHE HA H 78 4.943 4.787 0.156 1
1 926 . 20 1 1 A 78 78 PHE CB C 78 40.375 39.381 0.994 1
1 939 . 20 1 1 A 78 78 PHE C C 78 173.610 174.139 -0.529 1
1 940 . 20 1 1 A 79 79 PRO CA C 79 63.363 63.092 0.271 1
1 941 . 20 1 1 A 79 79 PRO HA H 79 4.615 4.612 0.003 1
1 942 . 20 1 1 A 79 79 PRO CB C 79 32.787 32.347 0.440 1
1 951 . 20 1 1 A 79 79 PRO C C 79 176.681 176.966 -0.285 1
1 952 . 20 1 1 A 80 80 CYS N N 80 117.289 122.566 -5.277 1
1 953 . 20 1 1 A 80 80 CYS H H 80 8.308 8.415 -0.107 1
1 954 . 20 1 1 A 80 80 CYS CA C 80 57.675 59.194 -1.519 1
1 955 . 20 1 1 A 80 80 CYS HA H 80 5.242 4.915 0.327 1
1 956 . 20 1 1 A 80 80 CYS CB C 80 30.658 28.158 2.500 1
1 959 . 20 1 1 A 80 80 CYS C C 80 174.899 175.080 -0.181 1
1 960 . 20 1 1 A 81 81 GLN N N 81 122.188 123.638 -1.450 1
1 961 . 20 1 1 A 81 81 GLN H H 81 9.312 8.310 1.002 1
1 962 . 20 1 1 A 81 81 GLN CA C 81 54.620 55.956 -1.336 1
1 963 . 20 1 1 A 81 81 GLN HA H 81 4.911 4.595 0.316 1
1 964 . 20 1 1 A 81 81 GLN CB C 81 31.213 30.379 0.834 1
1 973 . 20 1 1 A 81 81 GLN C C 81 175.035 174.928 0.107 1
1 974 . 20 1 1 A 82 82 TYR N N 82 125.814 123.250 2.564 1
1 975 . 20 1 1 A 82 82 TYR H H 82 8.919 9.004 -0.085 1
1 976 . 20 1 1 A 82 82 TYR CA C 82 58.764 56.346 2.418 1
1 977 . 20 1 1 A 82 82 TYR HA H 82 3.403 5.611 -2.208 1
1 978 . 20 1 1 A 82 82 TYR CB C 82 38.346 42.210 -3.864 1
1 989 . 20 1 1 A 82 82 TYR C C 82 175.413 173.913 1.500 1
1 990 . 20 1 1 A 83 83 VAL N N 83 129.316 126.853 2.463 1
1 991 . 20 1 1 A 83 83 VAL H H 83 7.782 8.732 -0.950 1
1 992 . 20 1 1 A 83 83 VAL CA C 83 61.693 61.490 0.203 1
1 993 . 20 1 1 A 83 83 VAL HA H 83 3.758 4.770 -1.012 1
1 994 . 20 1 1 A 83 83 VAL CB C 83 32.564 33.286 -0.722 1
1 1004 . 20 1 1 A 83 83 VAL C C 83 173.771 176.018 -2.247 1
1 1005 . 20 1 1 A 84 84 LYS N N 84 126.665 122.740 3.925 1
1 1006 . 20 1 1 A 84 84 LYS H H 84 8.174 8.694 -0.520 1
1 1007 . 20 1 1 A 84 84 LYS CA C 84 56.144 56.117 0.027 1
1 1008 . 20 1 1 A 84 84 LYS HA H 84 4.016 4.770 -0.754 1
1 1009 . 20 1 1 A 84 84 LYS CB C 84 32.170 31.911 0.259 1
1 1021 . 20 1 1 A 84 84 LYS C C 84 175.610 176.423 -0.813 1
1 1022 . 20 1 1 A 85 85 ASP N N 85 124.262 121.605 2.657 1
1 1023 . 20 1 1 A 85 85 ASP H H 85 7.864 7.423 0.441 1
1 1024 . 20 1 1 A 85 85 ASP CA C 85 53.349 54.746 -1.397 1
1 1025 . 20 1 1 A 85 85 ASP HA H 85 4.678 4.610 0.068 1
1 1026 . 20 1 1 A 85 85 ASP CB C 85 41.683 41.653 0.030 1
1 1029 . 20 1 1 A 85 85 ASP C C 85 176.841 177.282 -0.441 1
1 1030 . 20 1 1 A 86 86 THR N N 86 113.656 116.931 -3.275 1
1 1031 . 20 1 1 A 86 86 THR H H 86 8.065 8.659 -0.594 1
1 1032 . 20 1 1 A 86 86 THR CA C 86 63.274 66.345 -3.071 1
1 1033 . 20 1 1 A 86 86 THR HA H 86 4.086 3.836 0.250 1
1 1034 . 20 1 1 A 86 86 THR CB C 86 69.257 68.702 0.555 1
1 1040 . 20 1 1 A 86 86 THR C C 86 174.589 175.572 -0.983 1
1 1041 . 20 1 1 A 87 87 TYR N N 87 120.837 118.867 1.970 1
1 1042 . 20 1 1 A 87 87 TYR H H 87 8.064 7.610 0.454 1
1 1043 . 20 1 1 A 87 87 TYR CA C 87 58.054 59.849 -1.795 1
1 1044 . 20 1 1 A 87 87 TYR HA H 87 4.527 4.408 0.119 1
1 1045 . 20 1 1 A 87 87 TYR CB C 87 38.297 38.046 0.251 1
1 1056 . 20 1 1 A 87 87 TYR C C 87 175.590 177.060 -1.470 1
1 1057 . 20 1 1 A 88 88 ALA N N 88 125.226 121.022 4.204 1
1 1058 . 20 1 1 A 88 88 ALA H H 88 7.963 7.555 0.408 1
1 1059 . 20 1 1 A 88 88 ALA CA C 88 53.104 53.218 -0.114 1
1 1060 . 20 1 1 A 88 88 ALA HA H 88 4.389 4.158 0.231 1
1 1061 . 20 1 1 A 88 88 ALA CB C 88 19.127 19.206 -0.079 1
1 1065 . 20 1 1 A 88 88 ALA C C 88 178.497 178.280 0.217 1
1 1066 . 20 1 1 A 89 89 GLY N N 89 109.029 110.904 -1.875 1
1 1067 . 20 1 1 A 89 89 GLY H H 89 8.479 8.651 -0.172 1
1 1068 . 20 1 1 A 89 89 GLY CA C 89 45.426 44.555 0.871 1
1 1069 . 20 1 1 A 89 89 GLY HA2 H 89 3.952 4.085 -0.133 1
1 1070 . 20 1 1 A 89 89 GLY HA3 H 89 4.079 4.096 -0.017 1
1 1071 . 20 1 1 A 89 89 GLY C C 89 174.563 174.739 -0.176 1
1 1072 . 20 1 1 A 90 90 SER N N 90 115.638 115.493 0.145 1
1 1073 . 20 1 1 A 90 90 SER H H 90 8.232 8.532 -0.300 1
1 1074 . 20 1 1 A 90 90 SER CA C 90 58.443 59.722 -1.279 1
1 1075 . 20 1 1 A 90 90 SER HA H 90 4.574 4.786 -0.212 1
1 1076 . 20 1 1 A 90 90 SER CB C 90 63.865 65.206 -1.341 1
1 1079 . 20 1 1 A 90 90 SER C C 90 174.212 175.531 -1.319 1
1 1080 . 20 1 1 A 91 91 ASP N N 91 120.185 121.138 -0.953 1
1 1081 . 20 1 1 A 91 91 ASP H H 91 8.691 8.325 0.366 1
1 1082 . 20 1 1 A 91 91 ASP CA C 91 55.012 56.987 -1.975 1
1 1083 . 20 1 1 A 91 91 ASP HA H 91 4.684 4.378 0.306 1
1 1084 . 20 1 1 A 91 91 ASP CB C 91 40.643 39.970 0.673 1
1 1087 . 20 1 1 A 91 91 ASP C C 91 176.350 176.771 -0.421 1
1 1088 . 20 1 1 A 92 92 ARG N N 92 119.690 118.440 1.250 1
1 1089 . 20 1 1 A 92 92 ARG H H 92 8.072 7.869 0.203 1
1 1090 . 20 1 1 A 92 92 ARG CA C 92 54.941 55.229 -0.288 1
1 1091 . 20 1 1 A 92 92 ARG HA H 92 5.022 4.636 0.386 1
1 1092 . 20 1 1 A 92 92 ARG CB C 92 32.816 31.908 0.908 1
1 1101 . 20 1 1 A 92 92 ARG C C 92 174.072 174.908 -0.836 1
1 1102 . 20 1 1 A 93 93 ASP N N 93 119.716 118.609 1.107 1
1 1103 . 20 1 1 A 93 93 ASP H H 93 8.550 8.494 0.056 1
1 1104 . 20 1 1 A 93 93 ASP CA C 93 53.411 52.572 0.839 1
1 1105 . 20 1 1 A 93 93 ASP HA H 93 5.108 5.252 -0.144 1
1 1106 . 20 1 1 A 93 93 ASP CB C 93 46.005 45.080 0.925 1
1 1109 . 20 1 1 A 93 93 ASP C C 93 174.776 174.238 0.538 1
1 1110 . 20 1 1 A 94 94 THR N N 94 116.481 117.646 -1.165 1
1 1111 . 20 1 1 A 94 94 THR H H 94 8.932 8.439 0.493 1
1 1112 . 20 1 1 A 94 94 THR CA C 94 62.287 61.020 1.267 1
1 1113 . 20 1 1 A 94 94 THR HA H 94 5.232 4.646 0.586 1
1 1114 . 20 1 1 A 94 94 THR CB C 94 70.008 70.612 -0.604 1
1 1120 . 20 1 1 A 94 94 THR C C 94 171.982 173.675 -1.693 1
1 1121 . 20 1 1 A 95 95 PHE N N 95 124.488 125.961 -1.473 1
1 1122 . 20 1 1 A 95 95 PHE H H 95 9.347 8.584 0.763 1
1 1123 . 20 1 1 A 95 95 PHE CA C 95 55.834 55.707 0.127 1
1 1124 . 20 1 1 A 95 95 PHE HA H 95 5.321 5.060 0.261 1
1 1125 . 20 1 1 A 95 95 PHE CB C 95 43.478 42.153 1.325 1
1 1138 . 20 1 1 A 95 95 PHE C C 95 174.780 175.021 -0.241 1
1 1139 . 20 1 1 A 96 96 SER N N 96 117.417 114.489 2.928 1
1 1140 . 20 1 1 A 96 96 SER H H 96 10.108 8.885 1.223 1
1 1141 . 20 1 1 A 96 96 SER CA C 96 56.388 55.892 0.496 1
1 1142 . 20 1 1 A 96 96 SER HA H 96 5.575 5.528 0.047 1
1 1143 . 20 1 1 A 96 96 SER CB C 96 67.188 66.096 1.092 1
1 1146 . 20 1 1 A 96 96 SER C C 96 173.079 173.730 -0.651 1
1 1147 . 20 1 1 A 97 97 PHE N N 97 114.813 116.673 -1.860 1
1 1148 . 20 1 1 A 97 97 PHE H H 97 7.991 8.469 -0.478 1
1 1149 . 20 1 1 A 97 97 PHE CA C 97 56.003 55.732 0.271 1
1 1150 . 20 1 1 A 97 97 PHE HA H 97 5.249 5.344 -0.095 1
1 1151 . 20 1 1 A 97 97 PHE CB C 97 42.008 42.266 -0.258 1
1 1164 . 20 1 1 A 97 97 PHE C C 97 174.316 172.644 1.672 1
1 1165 . 20 1 1 A 98 98 ASP N N 98 121.809 118.572 3.237 1
1 1166 . 20 1 1 A 98 98 ASP H H 98 8.297 8.956 -0.659 1
1 1167 . 20 1 1 A 98 98 ASP CA C 98 54.789 52.788 2.001 1
1 1168 . 20 1 1 A 98 98 ASP HA H 98 5.006 5.512 -0.506 1
1 1169 . 20 1 1 A 98 98 ASP CB C 98 42.282 42.297 -0.015 1
1 1172 . 20 1 1 A 98 98 ASP C C 98 174.959 174.321 0.638 1
1 1173 . 20 1 1 A 99 99 ILE N N 99 126.714 126.118 0.596 1
1 1174 . 20 1 1 A 99 99 ILE H H 99 9.331 8.873 0.458 1
1 1175 . 20 1 1 A 99 99 ILE CA C 99 60.455 59.976 0.479 1
1 1176 . 20 1 1 A 99 99 ILE HA H 99 4.016 4.442 -0.426 1
1 1177 . 20 1 1 A 99 99 ILE CB C 99 42.110 39.789 2.321 1
1 1190 . 20 1 1 A 99 99 ILE C C 99 175.019 175.580 -0.561 1
1 1191 . 20 1 1 A 100 100 SER N N 100 122.590 121.330 1.260 1
1 1192 . 20 1 1 A 100 100 SER H H 100 8.345 8.740 -0.395 1
1 1193 . 20 1 1 A 100 100 SER CA C 100 58.848 56.891 1.957 1
1 1194 . 20 1 1 A 100 100 SER HA H 100 4.527 4.902 -0.375 1
1 1195 . 20 1 1 A 100 100 SER CB C 100 63.482 64.272 -0.790 1
1 1198 . 20 1 1 A 100 100 SER C C 100 173.557 174.561 -1.004 1
1 1199 . 20 1 1 A 101 101 LEU N N 101 124.776 125.210 -0.434 1
1 1200 . 20 1 1 A 101 101 LEU H H 101 8.277 8.751 -0.474 1
1 1201 . 20 1 1 A 101 101 LEU CA C 101 52.430 53.361 -0.931 1
1 1202 . 20 1 1 A 101 101 LEU HA H 101 4.375 4.573 -0.198 1
1 1203 . 20 1 1 A 101 101 LEU CB C 101 40.427 40.800 -0.373 1
1 1216 . 20 1 1 A 101 101 LEU C C 101 174.363 174.465 -0.102 1
1 1217 . 20 1 1 A 102 102 PRO CA C 102 62.488 62.057 0.431 1
1 1218 . 20 1 1 A 102 102 PRO HA H 102 4.259 4.189 0.070 1
1 1219 . 20 1 1 A 102 102 PRO CB C 102 32.073 32.649 -0.576 1
1 1228 . 20 1 1 A 102 102 PRO C C 102 175.687 177.324 -1.637 1
1 1229 . 20 1 1 A 103 103 GLU N N 103 118.843 119.492 -0.649 1
1 1230 . 20 1 1 A 103 103 GLU H H 103 8.286 8.392 -0.106 1
1 1231 . 20 1 1 A 103 103 GLU CA C 103 58.131 58.883 -0.752 1
1 1232 . 20 1 1 A 103 103 GLU HA H 103 4.013 4.049 -0.036 1
1 1233 . 20 1 1 A 103 103 GLU CB C 103 30.344 29.222 1.122 1
1 1239 . 20 1 1 A 103 103 GLU C C 103 176.869 176.355 0.514 1
1 1240 . 20 1 1 A 104 104 LYS N N 104 116.544 116.048 0.496 1
1 1241 . 20 1 1 A 104 104 LYS H H 104 7.869 7.585 0.284 1
1 1242 . 20 1 1 A 104 104 LYS CA C 104 55.314 55.188 0.126 1
1 1243 . 20 1 1 A 104 104 LYS HA H 104 4.474 4.776 -0.302 1
1 1244 . 20 1 1 A 104 104 LYS CB C 104 33.428 35.584 -2.156 1
1 1256 . 20 1 1 A 104 104 LYS C C 104 175.231 173.985 1.246 1
1 1257 . 20 1 1 A 105 105 ILE N N 105 122.507 120.171 2.336 1
1 1258 . 20 1 1 A 105 105 ILE H H 105 8.236 8.606 -0.370 1
1 1259 . 20 1 1 A 105 105 ILE CA C 105 60.636 60.104 0.532 1
1 1260 . 20 1 1 A 105 105 ILE HA H 105 4.190 4.897 -0.707 1
1 1261 . 20 1 1 A 105 105 ILE CB C 105 39.685 42.570 -2.885 1
1 1274 . 20 1 1 A 105 105 ILE C C 105 176.091 174.659 1.432 1
1 1275 . 20 1 1 A 106 106 GLN N N 106 124.467 125.455 -0.988 1
1 1276 . 20 1 1 A 106 106 GLN H H 106 8.752 8.358 0.394 1
1 1277 . 20 1 1 A 106 106 GLN CA C 106 56.244 53.532 2.712 1
1 1278 . 20 1 1 A 106 106 GLN HA H 106 4.243 4.652 -0.409 1
1 1279 . 20 1 1 A 106 106 GLN CB C 106 28.717 31.440 -2.723 1
1 1288 . 20 1 1 A 106 106 GLN C C 106 177.593 176.395 1.198 1
1 1289 . 20 1 1 A 107 107 SER N N 107 116.963 115.766 1.197 1
1 1290 . 20 1 1 A 107 107 SER H H 107 8.623 8.536 0.087 1
1 1291 . 20 1 1 A 107 107 SER CA C 107 60.530 61.663 -1.133 1
1 1292 . 20 1 1 A 107 107 SER HA H 107 4.152 4.045 0.107 1
1 1293 . 20 1 1 A 107 107 SER CB C 107 63.187 62.395 0.792 1
1 1296 . 20 1 1 A 107 107 SER C C 107 174.222 174.574 -0.352 1
1 1297 . 20 1 1 A 108 108 TYR N N 108 116.323 119.258 -2.935 1
1 1298 . 20 1 1 A 108 108 TYR H H 108 7.330 7.159 0.171 1
1 1299 . 20 1 1 A 108 108 TYR CA C 108 56.727 57.357 -0.630 1
1 1300 . 20 1 1 A 108 108 TYR HA H 108 4.655 4.537 0.118 1
1 1301 . 20 1 1 A 108 108 TYR CB C 108 37.491 40.136 -2.645 1
1 1312 . 20 1 1 A 108 108 TYR C C 108 175.768 175.485 0.283 1
1 1313 . 20 1 1 A 109 109 GLU N N 109 120.523 117.273 3.250 1
1 1314 . 20 1 1 A 109 109 GLU H H 109 7.587 9.090 -1.503 1
1 1315 . 20 1 1 A 109 109 GLU CA C 109 55.573 57.483 -1.910 1
1 1316 . 20 1 1 A 109 109 GLU HA H 109 4.582 3.975 0.607 1
1 1317 . 20 1 1 A 109 109 GLU CB C 109 31.360 27.644 3.716 1
1 1323 . 20 1 1 A 109 109 GLU C C 109 176.013 175.591 0.422 1
1 1324 . 20 1 1 A 110 110 ARG N N 110 118.559 120.154 -1.595 1
1 1325 . 20 1 1 A 110 110 ARG H H 110 8.441 7.974 0.467 1
1 1326 . 20 1 1 A 110 110 ARG CA C 110 55.667 56.814 -1.147 1
1 1327 . 20 1 1 A 110 110 ARG HA H 110 4.786 4.335 0.451 1
1 1328 . 20 1 1 A 110 110 ARG CB C 110 32.404 31.171 1.233 1
1 1339 . 20 1 1 A 110 110 ARG C C 110 174.387 174.895 -0.508 1
1 1340 . 20 1 1 A 111 111 MET N N 111 122.471 125.086 -2.615 1
1 1341 . 20 1 1 A 111 111 MET H H 111 8.665 8.656 0.009 1
1 1342 . 20 1 1 A 111 111 MET CA C 111 54.151 53.793 0.358 1
1 1343 . 20 1 1 A 111 111 MET HA H 111 5.167 5.110 0.057 1
1 1344 . 20 1 1 A 111 111 MET CB C 111 35.735 34.945 0.790 1
1 1354 . 20 1 1 A 111 111 MET C C 111 174.924 174.824 0.100 1
1 1355 . 20 1 1 A 112 112 GLU N N 112 119.500 125.337 -5.837 1
1 1356 . 20 1 1 A 112 112 GLU H H 112 7.951 8.612 -0.661 1
1 1357 . 20 1 1 A 112 112 GLU CA C 112 53.909 54.933 -1.024 1
1 1358 . 20 1 1 A 112 112 GLU HA H 112 5.662 5.044 0.618 1
1 1359 . 20 1 1 A 112 112 GLU CB C 112 35.198 34.654 0.544 1
1 1365 . 20 1 1 A 112 112 GLU C C 112 174.483 174.959 -0.476 1
1 1366 . 20 1 1 A 113 113 PHE N N 113 115.033 118.109 -3.076 1
1 1367 . 20 1 1 A 113 113 PHE H H 113 9.278 8.981 0.297 1
1 1368 . 20 1 1 A 113 113 PHE CA C 113 55.857 56.442 -0.585 1
1 1369 . 20 1 1 A 113 113 PHE HA H 113 6.262 5.701 0.561 1
1 1370 . 20 1 1 A 113 113 PHE CB C 113 43.656 42.059 1.597 1
1 1383 . 20 1 1 A 113 113 PHE C C 113 172.253 172.942 -0.689 1
1 1384 . 20 1 1 A 114 114 ALA N N 114 121.461 121.902 -0.441 1
1 1385 . 20 1 1 A 114 114 ALA H H 114 9.475 8.661 0.814 1
1 1386 . 20 1 1 A 114 114 ALA CA C 114 50.860 50.932 -0.072 1
1 1387 . 20 1 1 A 114 114 ALA HA H 114 5.026 5.205 -0.179 1
1 1388 . 20 1 1 A 114 114 ALA CB C 114 23.129 23.426 -0.297 1
1 1392 . 20 1 1 A 114 114 ALA C C 114 174.903 176.517 -1.614 1
1 1393 . 20 1 1 A 115 115 VAL N N 115 120.899 121.789 -0.890 1
1 1394 . 20 1 1 A 115 115 VAL H H 115 8.928 8.640 0.288 1
1 1395 . 20 1 1 A 115 115 VAL CA C 115 61.379 63.018 -1.639 1
1 1396 . 20 1 1 A 115 115 VAL HA H 115 4.798 4.415 0.383 1
1 1397 . 20 1 1 A 115 115 VAL CB C 115 34.712 32.608 2.104 1
1 1407 . 20 1 1 A 115 115 VAL C C 115 174.444 175.305 -0.861 1
1 1408 . 20 1 1 A 116 116 TYR N N 116 123.426 127.028 -3.602 1
1 1409 . 20 1 1 A 116 116 TYR H H 116 8.963 8.776 0.187 1
1 1410 . 20 1 1 A 116 116 TYR CA C 116 55.480 55.084 0.396 1
1 1411 . 20 1 1 A 116 116 TYR HA H 116 5.081 4.776 0.305 1
1 1412 . 20 1 1 A 116 116 TYR CB C 116 38.928 39.828 -0.900 1
1 1423 . 20 1 1 A 116 116 TYR C C 116 172.208 172.767 -0.559 1
1 1424 . 20 1 1 A 117 117 TYR N N 117 123.249 130.416 -7.167 1
1 1425 . 20 1 1 A 117 117 TYR H H 117 8.858 8.978 -0.120 1
1 1426 . 20 1 1 A 117 117 TYR CA C 117 52.371 56.618 -4.247 1
1 1427 . 20 1 1 A 117 117 TYR HA H 117 5.528 4.898 0.630 1
1 1428 . 20 1 1 A 117 117 TYR CB C 117 41.509 40.842 0.667 1
1 1439 . 20 1 1 A 117 117 TYR C C 117 173.159 173.581 -0.422 1
1 1440 . 20 1 1 A 118 118 GLU N N 118 127.681 127.696 -0.015 1
1 1441 . 20 1 1 A 118 118 GLU H H 118 9.368 8.439 0.929 1
1 1442 . 20 1 1 A 118 118 GLU CA C 118 54.179 54.921 -0.742 1
1 1443 . 20 1 1 A 118 118 GLU HA H 118 5.085 5.056 0.029 1
1 1444 . 20 1 1 A 118 118 GLU CB C 118 32.099 32.403 -0.304 1
1 1450 . 20 1 1 A 118 118 GLU C C 118 175.565 174.645 0.920 1
1 1451 . 20 1 1 A 119 119 CYS N N 119 122.152 122.271 -0.119 1
1 1452 . 20 1 1 A 119 119 CYS H H 119 8.323 7.901 0.422 1
1 1453 . 20 1 1 A 119 119 CYS CA C 119 58.248 57.694 0.554 1
1 1454 . 20 1 1 A 119 119 CYS HA H 119 4.479 4.556 -0.077 1
1 1455 . 20 1 1 A 119 119 CYS CB C 119 29.065 30.501 -1.436 1
1 1458 . 20 1 1 A 119 119 CYS C C 119 174.586 173.125 1.461 1
1 1459 . 20 1 1 A 120 120 ASN N N 120 126.917 117.724 9.193 1
1 1460 . 20 1 1 A 120 120 ASN H H 120 9.858 9.239 0.619 1
1 1461 . 20 1 1 A 120 120 ASN CA C 120 53.735 54.447 -0.712 1
1 1462 . 20 1 1 A 120 120 ASN HA H 120 4.342 4.409 -0.067 1
1 1463 . 20 1 1 A 120 120 ASN CB C 120 37.873 37.381 0.492 1
1 1469 . 20 1 1 A 120 120 ASN C C 120 174.943 175.426 -0.483 1
1 1470 . 20 1 1 A 121 121 GLY N N 121 104.866 103.740 1.126 1
1 1471 . 20 1 1 A 121 121 GLY H H 121 8.776 8.611 0.165 1
1 1472 . 20 1 1 A 121 121 GLY CA C 121 45.586 46.530 -0.944 1
1 1473 . 20 1 1 A 121 121 GLY HA2 H 121 4.041 3.870 0.171 1
1 1474 . 20 1 1 A 121 121 GLY HA3 H 121 3.553 3.877 -0.324 1
1 1475 . 20 1 1 A 121 121 GLY C C 121 173.804 173.729 0.075 1
1 1476 . 20 1 1 A 122 122 GLN N N 122 119.988 118.654 1.334 1
1 1477 . 20 1 1 A 122 122 GLN H H 122 7.677 7.966 -0.289 1
1 1478 . 20 1 1 A 122 122 GLN CA C 122 53.624 53.587 0.037 1
1 1479 . 20 1 1 A 122 122 GLN HA H 122 4.395 4.808 -0.413 1
1 1480 . 20 1 1 A 122 122 GLN CB C 122 31.456 32.658 -1.202 1
1 1489 . 20 1 1 A 122 122 GLN C C 122 174.029 174.109 -0.080 1
1 1490 . 20 1 1 A 123 123 THR N N 123 116.337 115.603 0.734 1
1 1491 . 20 1 1 A 123 123 THR H H 123 7.990 8.352 -0.362 1
1 1492 . 20 1 1 A 123 123 THR CA C 123 61.935 61.045 0.890 1
1 1493 . 20 1 1 A 123 123 THR HA H 123 4.620 4.954 -0.334 1
1 1494 . 20 1 1 A 123 123 THR CB C 123 70.005 71.070 -1.065 1
1 1500 . 20 1 1 A 123 123 THR C C 123 172.596 173.159 -0.563 1
1 1501 . 20 1 1 A 124 124 TYR N N 124 128.915 124.987 3.928 1
1 1502 . 20 1 1 A 124 124 TYR H H 124 9.416 9.137 0.279 1
1 1503 . 20 1 1 A 124 124 TYR CA C 124 56.388 56.076 0.312 1
1 1504 . 20 1 1 A 124 124 TYR HA H 124 4.962 5.356 -0.394 1
1 1505 . 20 1 1 A 124 124 TYR CB C 124 40.688 40.747 -0.059 1
1 1516 . 20 1 1 A 124 124 TYR C C 124 174.284 174.647 -0.363 1
1 1517 . 20 1 1 A 125 125 TRP N N 125 119.850 123.648 -3.798 1
1 1518 . 20 1 1 A 125 125 TRP H H 125 8.738 9.139 -0.401 1
1 1519 . 20 1 1 A 125 125 TRP CA C 125 56.940 55.615 1.325 1
1 1520 . 20 1 1 A 125 125 TRP HA H 125 5.388 5.618 -0.230 1
1 1521 . 20 1 1 A 125 125 TRP CB C 125 33.031 31.424 1.607 1
1 1536 . 20 1 1 A 125 125 TRP C C 125 176.973 174.719 2.254 1
1 1537 . 20 1 1 A 126 126 ASP N N 126 118.759 126.456 -7.697 1
1 1538 . 20 1 1 A 126 126 ASP H H 126 9.436 8.937 0.499 1
1 1539 . 20 1 1 A 126 126 ASP CA C 126 53.968 52.721 1.247 1
1 1540 . 20 1 1 A 126 126 ASP HA H 126 5.213 5.080 0.133 1
1 1541 . 20 1 1 A 126 126 ASP CB C 126 42.641 41.817 0.824 1
1 1544 . 20 1 1 A 126 126 ASP C C 126 176.043 174.546 1.497 1
1 1545 . 20 1 1 A 127 127 SER N N 127 119.074 120.837 -1.763 1
1 1546 . 20 1 1 A 127 127 SER H H 127 8.520 8.582 -0.062 1
1 1547 . 20 1 1 A 127 127 SER CA C 127 55.118 56.710 -1.592 1
1 1548 . 20 1 1 A 127 127 SER HA H 127 4.811 4.985 -0.174 1
1 1549 . 20 1 1 A 127 127 SER CB C 127 63.866 64.494 -0.628 1
1 1552 . 20 1 1 A 127 127 SER C C 127 175.840 174.089 1.751 1
1 1553 . 20 1 1 A 128 128 ASN N N 128 124.865 120.602 4.263 1
1 1554 . 20 1 1 A 128 128 ASN H H 128 9.242 7.393 1.849 1
1 1555 . 20 1 1 A 128 128 ASN CA C 128 53.224 53.047 0.177 1
1 1556 . 20 1 1 A 128 128 ASN HA H 128 4.071 3.411 0.660 1
1 1557 . 20 1 1 A 128 128 ASN CB C 128 34.281 35.479 -1.198 1
1 1563 . 20 1 1 A 128 128 ASN C C 128 176.607 175.107 1.500 1
1 1564 . 20 1 1 A 129 129 ARG N N 129 114.718 117.800 -3.082 1
1 1565 . 20 1 1 A 129 129 ARG H H 129 9.475 7.922 1.553 1
1 1566 . 20 1 1 A 129 129 ARG CA C 129 56.798 56.799 -0.001 1
1 1567 . 20 1 1 A 129 129 ARG HA H 129 3.774 3.938 -0.164 1
1 1568 . 20 1 1 A 129 129 ARG CB C 129 27.145 28.058 -0.913 1
1 1579 . 20 1 1 A 129 129 ARG C C 129 176.132 175.003 1.129 1
1 1580 . 20 1 1 A 130 130 GLY N N 130 106.337 107.277 -0.940 1
1 1581 . 20 1 1 A 130 130 GLY H H 130 7.568 8.010 -0.442 1
1 1582 . 20 1 1 A 130 130 GLY CA C 130 44.896 46.073 -1.177 1
1 1583 . 20 1 1 A 130 130 GLY HA2 H 130 4.103 4.095 0.008 1
1 1584 . 20 1 1 A 130 130 GLY HA3 H 130 3.425 4.113 -0.688 1
1 1585 . 20 1 1 A 130 130 GLY C C 130 174.521 173.909 0.612 1
1 1586 . 20 1 1 A 131 131 LYS N N 131 119.902 123.963 -4.061 1
1 1587 . 20 1 1 A 131 131 LYS H H 131 7.278 8.310 -1.032 1
1 1588 . 20 1 1 A 131 131 LYS CA C 131 57.336 57.160 0.176 1
1 1589 . 20 1 1 A 131 131 LYS HA H 131 4.132 4.294 -0.162 1
1 1590 . 20 1 1 A 131 131 LYS CB C 131 33.719 33.764 -0.045 1
1 1602 . 20 1 1 A 131 131 LYS C C 131 177.813 176.117 1.696 1
1 1603 . 20 1 1 A 132 132 ASN N N 132 107.489 114.106 -6.617 1
1 1604 . 20 1 1 A 132 132 ASN H H 132 8.268 7.616 0.652 1
1 1605 . 20 1 1 A 132 132 ASN CA C 132 54.717 52.398 2.319 1
1 1606 . 20 1 1 A 132 132 ASN HA H 132 3.691 4.921 -1.230 1
1 1607 . 20 1 1 A 132 132 ASN CB C 132 39.462 42.048 -2.586 1
1 1613 . 20 1 1 A 132 132 ASN C C 132 172.611 172.943 -0.332 1
1 1614 . 20 1 1 A 133 133 TYR N N 133 120.541 119.635 0.906 1
1 1615 . 20 1 1 A 133 133 TYR H H 133 8.696 8.532 0.164 1
1 1616 . 20 1 1 A 133 133 TYR CA C 133 58.334 57.215 1.119 1
1 1617 . 20 1 1 A 133 133 TYR HA H 133 3.879 4.285 -0.406 1
1 1618 . 20 1 1 A 133 133 TYR CB C 133 35.955 36.876 -0.921 1
1 1627 . 20 1 1 A 133 133 TYR C C 133 175.026 175.345 -0.319 1
1 1628 . 20 1 1 A 134 134 ARG N N 134 123.205 126.015 -2.810 1
1 1629 . 20 1 1 A 134 134 ARG H H 134 8.584 8.534 0.050 1
1 1630 . 20 1 1 A 134 134 ARG CA C 134 56.025 56.682 -0.657 1
1 1631 . 20 1 1 A 134 134 ARG HA H 134 5.043 4.713 0.330 1
1 1632 . 20 1 1 A 134 134 ARG CB C 134 32.734 30.825 1.909 1
1 1643 . 20 1 1 A 134 134 ARG C C 134 174.511 175.148 -0.637 1
1 1644 . 20 1 1 A 135 135 ILE N N 135 124.430 128.395 -3.965 1
1 1645 . 20 1 1 A 135 135 ILE H H 135 8.429 8.620 -0.191 1
1 1646 . 20 1 1 A 135 135 ILE CA C 135 61.078 60.302 0.776 1
1 1647 . 20 1 1 A 135 135 ILE HA H 135 4.797 4.811 -0.014 1
1 1648 . 20 1 1 A 135 135 ILE CB C 135 39.875 39.458 0.417 1
1 1661 . 20 1 1 A 135 135 ILE C C 135 175.279 176.211 -0.932 1
1 1662 . 20 1 1 A 136 136 ILE N N 136 120.496 123.830 -3.334 1
1 1663 . 20 1 1 A 136 136 ILE H H 136 9.000 8.910 0.090 1
1 1664 . 20 1 1 A 136 136 ILE CA C 136 59.359 59.001 0.358 1
1 1665 . 20 1 1 A 136 136 ILE HA H 136 5.028 4.855 0.173 1
1 1666 . 20 1 1 A 136 136 ILE CB C 136 42.170 40.160 2.010 1
1 1679 . 20 1 1 A 136 136 ILE C C 136 175.144 175.626 -0.482 1
1 1680 . 20 1 1 A 137 137 ARG N N 137 122.183 123.673 -1.490 1
1 1681 . 20 1 1 A 137 137 ARG H H 137 8.535 8.146 0.389 1
1 1682 . 20 1 1 A 137 137 ARG CA C 137 56.339 55.402 0.937 1
1 1683 . 20 1 1 A 137 137 ARG HA H 137 4.402 3.716 0.686 1
1 1684 . 20 1 1 A 137 137 ARG CB C 137 30.696 30.975 -0.279 1
1 1695 . 20 1 1 A 137 137 ARG C C 137 176.646 177.488 -0.842 1
1 1696 . 20 1 1 A 138 138 ALA N N 138 126.694 126.572 0.122 1
1 1697 . 20 1 1 A 138 138 ALA H H 138 8.353 9.169 -0.816 1
1 1698 . 20 1 1 A 138 138 ALA CA C 138 52.808 54.867 -2.059 1
1 1699 . 20 1 1 A 138 138 ALA HA H 138 4.134 3.945 0.189 1
1 1700 . 20 1 1 A 138 138 ALA CB C 138 19.536 18.046 1.490 1
1 1704 . 20 1 1 A 138 138 ALA C C 138 177.637 179.926 -2.289 1
1 1705 . 20 1 1 A 139 139 GLU N N 139 119.890 114.651 5.239 1
1 1706 . 20 1 1 A 139 139 GLU H H 139 8.615 8.399 0.216 1
1 1707 . 20 1 1 A 139 139 GLU CA C 139 56.586 58.787 -2.201 1
1 1708 . 20 1 1 A 139 139 GLU HA H 139 4.268 4.105 0.163 1
1 1709 . 20 1 1 A 139 139 GLU CB C 139 30.137 28.997 1.140 1
1 1715 . 20 1 1 A 139 139 GLU C C 139 176.488 176.547 -0.059 1
1 1716 . 20 1 1 A 140 140 LEU N N 140 123.350 120.221 3.129 1
1 1717 . 20 1 1 A 140 140 LEU H H 140 8.224 7.758 0.466 1
1 1718 . 20 1 1 A 140 140 LEU CA C 140 55.185 53.687 1.498 1
1 1719 . 20 1 1 A 140 140 LEU HA H 140 4.339 4.709 -0.370 1
1 1720 . 20 1 1 A 140 140 LEU CB C 140 42.294 43.143 -0.849 1
1 1733 . 20 1 1 A 140 140 LEU C C 140 177.456 176.118 1.338 1
1 1734 . 20 1 1 A 141 141 LYS N N 141 122.155 125.296 -3.141 1
1 1735 . 20 1 1 A 141 141 LYS H H 141 8.239 8.468 -0.229 1
1 1736 . 20 1 1 A 141 141 LYS CA C 141 56.480 56.316 0.164 1
1 1737 . 20 1 1 A 141 141 LYS HA H 141 4.309 4.646 -0.337 1
1 1738 . 20 1 1 A 141 141 LYS CB C 141 32.976 35.376 -2.400 1
1 1750 . 20 1 1 A 141 141 LYS C C 141 176.734 174.466 2.268 1
1 1751 . 20 1 1 A 142 142 SER N N 142 116.816 123.060 -6.244 1
1 1752 . 20 1 1 A 142 142 SER H H 142 8.369 8.976 -0.607 1
1 1753 . 20 1 1 A 142 142 SER CA C 142 58.425 57.765 0.660 1
1 1754 . 20 1 1 A 142 142 SER HA H 142 4.529 5.066 -0.537 1
1 1755 . 20 1 1 A 142 142 SER CB C 142 63.836 65.606 -1.770 1
1 1758 . 20 1 1 A 142 142 SER C C 142 175.185 173.207 1.978 1
1 1759 . 20 1 1 A 143 143 THR N N 143 115.566 122.212 -6.646 1
1 1760 . 20 1 1 A 143 143 THR H H 143 8.235 8.771 -0.536 1
1 1761 . 20 1 1 A 143 143 THR CA C 143 61.999 62.334 -0.335 1
1 1762 . 20 1 1 A 143 143 THR HA H 143 4.389 4.623 -0.234 1
1 1763 . 20 1 1 A 143 143 THR CB C 143 69.634 68.046 1.588 1
1 1769 . 20 1 1 A 143 143 THR C C 143 174.937 173.414 1.523 1
1 1770 . 20 1 1 A 144 144 GLN N N 144 122.469 123.085 -0.616 1
1 1771 . 20 1 1 A 144 144 GLN H H 144 8.345 8.720 -0.375 1
1 1772 . 20 1 1 A 144 144 GLN CA C 144 56.480 54.444 2.036 1
1 1773 . 20 1 1 A 144 144 GLN HA H 144 4.307 4.811 -0.504 1
1 1774 . 20 1 1 A 144 144 GLN CB C 144 29.307 31.904 -2.597 1
1 1783 . 20 1 1 A 144 144 GLN C C 144 176.536 174.017 2.519 1
1 1784 . 20 1 1 A 145 145 GLY N N 145 110.021 106.571 3.450 1
1 1785 . 20 1 1 A 145 145 GLY H H 145 8.461 8.284 0.177 1
1 1786 . 20 1 1 A 145 145 GLY CA C 145 45.355 45.244 0.111 1
1 1787 . 20 1 1 A 145 145 GLY HA2 H 145 3.967 4.407 -0.440 1
1 1788 . 20 1 1 A 145 145 GLY HA3 H 145 3.967 4.409 -0.442 1
1 1789 . 20 1 1 A 145 145 GLY C C 145 174.123 172.335 1.788 1
1 1790 . 20 1 1 A 146 146 MET N N 146 119.836 118.442 1.394 1
1 1791 . 20 1 1 A 146 146 MET H H 146 8.197 8.407 -0.210 1
1 1792 . 20 1 1 A 146 146 MET CA C 146 55.594 54.572 1.022 1
1 1793 . 20 1 1 A 146 146 MET HA H 146 4.538 5.207 -0.669 1
1 1794 . 20 1 1 A 146 146 MET CB C 146 33.090 35.593 -2.503 1
1 1804 . 20 1 1 A 146 146 MET C C 146 176.454 173.977 2.477 1
1 1805 . 20 1 1 A 147 147 THR N N 147 116.248 116.168 0.080 1
1 1806 . 20 1 1 A 147 147 THR H H 147 8.239 8.656 -0.417 1
1 1807 . 20 1 1 A 147 147 THR CA C 147 61.959 60.796 1.163 1
1 1808 . 20 1 1 A 147 147 THR HA H 147 4.318 5.006 -0.688 1
1 1809 . 20 1 1 A 147 147 THR CB C 147 69.875 72.115 -2.240 1
1 1815 . 20 1 1 A 147 147 THR C C 147 174.141 171.870 2.271 1
1 1816 . 20 1 1 A 148 148 LYS N N 148 125.399 130.106 -4.707 1
1 1817 . 20 1 1 A 148 148 LYS H H 148 8.387 8.714 -0.327 1
1 1818 . 20 1 1 A 148 148 LYS CA C 148 54.186 53.096 1.090 1
1 1819 . 20 1 1 A 148 148 LYS HA H 148 4.617 4.861 -0.244 1
1 1820 . 20 1 1 A 148 148 LYS CB C 148 32.651 33.974 -1.323 1
1 1832 . 20 1 1 A 148 148 LYS C C 148 174.388 175.267 -0.879 1
1 1833 . 20 1 1 A 149 149 PRO CA C 149 63.178 62.431 0.747 1
1 1834 . 20 1 1 A 149 149 PRO HA H 149 4.406 4.552 -0.146 1
1 1835 . 20 1 1 A 149 149 PRO CB C 149 32.164 32.363 -0.199 1
1 1844 . 20 1 1 A 150 150 HIS CA C 150 56.264 55.319 0.945 1
1 1845 . 20 1 1 A 150 150 HIS HA H 150 4.626 4.746 -0.120 1
1 1846 . 20 1 1 A 150 150 HIS CB C 150 30.574 31.269 -0.695 1
1 1852 . 20 1 1 A 151 151 SER CA C 151 58.018 59.398 -1.380 1
1 1853 . 20 1 1 A 151 151 SER HA H 151 4.475 4.511 -0.036 1
1 1854 . 20 1 1 A 151 151 SER CB C 151 64.139 64.838 -0.699 1
1 1856 . 20 1 1 A 151 151 SER C C 151 174.253 174.450 -0.197 1
1 1857 . 20 1 1 A 152 152 GLY N N 152 110.964 105.721 5.243 1
1 1858 . 20 1 1 A 152 152 GLY H H 152 8.276 7.563 0.713 1
1 1859 . 20 1 1 A 152 152 GLY CA C 152 44.637 45.001 -0.364 1
1 1860 . 20 1 1 A 152 152 GLY HA2 H 152 4.120 4.145 -0.025 1
1 1861 . 20 1 1 A 152 152 GLY HA3 H 152 4.120 4.230 -0.110 1
1 1862 . 20 1 1 A 152 152 GLY C C 152 171.668 172.477 -0.809 1
1 1863 . 20 1 1 A 153 153 PRO CA C 153 63.147 62.508 0.639 1
1 1864 . 20 1 1 A 153 153 PRO HA H 153 4.425 4.652 -0.227 1
1 1865 . 20 1 1 A 153 153 PRO CB C 153 32.149 33.367 -1.218 1
1 1874 . 20 1 1 A 153 153 PRO C C 153 176.656 174.849 1.807 1
1 1875 . 20 1 1 A 154 154 ASP N N 154 120.420 120.800 -0.380 1
1 1876 . 20 1 1 A 154 154 ASP H H 154 8.463 8.900 -0.437 1
1 1877 . 20 1 1 A 154 154 ASP CA C 154 54.429 53.183 1.246 1
1 1878 . 20 1 1 A 154 154 ASP HA H 154 4.575 4.993 -0.418 1
1 1879 . 20 1 1 A 154 154 ASP CB C 154 40.979 44.656 -3.677 1
1 1882 . 20 1 1 A 154 154 ASP C C 154 176.163 174.963 1.200 1
1 1883 . 20 1 1 A 155 155 LEU N N 155 123.563 124.678 -1.115 1
1 1884 . 20 1 1 A 155 155 LEU H H 155 8.266 8.680 -0.414 1
1 1885 . 20 1 1 A 155 155 LEU CA C 155 55.022 57.095 -2.073 1
1 1886 . 20 1 1 A 155 155 LEU HA H 155 4.358 3.917 0.441 1
1 1887 . 20 1 1 A 155 155 LEU CB C 155 42.157 41.695 0.462 1
1 1900 . 20 1 1 A 155 155 LEU C C 155 176.990 178.080 -1.090 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 148 1.128 1
2 1 1 1 "RMS(OBS, PRED)" CA 150 1.297 1
3 1 1 1 "RMS(OBS, PRED)" CB 143 1.490 1
4 1 1 1 "RMS(OBS, PRED)" H 142 0.564 1
5 1 1 1 "RMS(OBS, PRED)" HA 157 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 142 3.194 1
7 1 2 1 "RMS(OBS, PRED)" C 148 1.139 1
8 1 2 1 "RMS(OBS, PRED)" CA 150 1.310 1
9 1 2 1 "RMS(OBS, PRED)" CB 143 1.543 1
10 1 2 1 "RMS(OBS, PRED)" H 142 0.532 1
11 1 2 1 "RMS(OBS, PRED)" HA 157 0.397 1
12 1 2 1 "RMS(OBS, PRED)" N 142 3.265 1
13 1 3 1 "RMS(OBS, PRED)" C 148 1.090 1
14 1 3 1 "RMS(OBS, PRED)" CA 150 1.391 1
15 1 3 1 "RMS(OBS, PRED)" CB 143 1.435 1
16 1 3 1 "RMS(OBS, PRED)" H 142 0.548 1
17 1 3 1 "RMS(OBS, PRED)" HA 157 0.405 1
18 1 3 1 "RMS(OBS, PRED)" N 142 3.245 1
19 1 4 1 "RMS(OBS, PRED)" C 148 1.077 1
20 1 4 1 "RMS(OBS, PRED)" CA 150 1.266 1
21 1 4 1 "RMS(OBS, PRED)" CB 143 1.449 1
22 1 4 1 "RMS(OBS, PRED)" H 142 0.526 1
23 1 4 1 "RMS(OBS, PRED)" HA 157 0.365 1
24 1 4 1 "RMS(OBS, PRED)" N 142 3.241 1
25 1 5 1 "RMS(OBS, PRED)" C 148 1.195 1
26 1 5 1 "RMS(OBS, PRED)" CA 150 1.366 1
27 1 5 1 "RMS(OBS, PRED)" CB 143 1.510 1
28 1 5 1 "RMS(OBS, PRED)" H 142 0.578 1
29 1 5 1 "RMS(OBS, PRED)" HA 157 0.401 1
30 1 5 1 "RMS(OBS, PRED)" N 142 3.240 1
31 1 6 1 "RMS(OBS, PRED)" C 148 1.139 1
32 1 6 1 "RMS(OBS, PRED)" CA 150 1.269 1
33 1 6 1 "RMS(OBS, PRED)" CB 143 1.304 1
34 1 6 1 "RMS(OBS, PRED)" H 142 0.585 1
35 1 6 1 "RMS(OBS, PRED)" HA 157 0.410 1
36 1 6 1 "RMS(OBS, PRED)" N 142 3.281 1
37 1 7 1 "RMS(OBS, PRED)" C 148 1.128 1
38 1 7 1 "RMS(OBS, PRED)" CA 150 1.337 1
39 1 7 1 "RMS(OBS, PRED)" CB 143 1.504 1
40 1 7 1 "RMS(OBS, PRED)" H 142 0.586 1
41 1 7 1 "RMS(OBS, PRED)" HA 157 0.403 1
42 1 7 1 "RMS(OBS, PRED)" N 142 3.231 1
43 1 8 1 "RMS(OBS, PRED)" C 148 1.123 1
44 1 8 1 "RMS(OBS, PRED)" CA 150 1.320 1
45 1 8 1 "RMS(OBS, PRED)" CB 143 1.447 1
46 1 8 1 "RMS(OBS, PRED)" H 142 0.557 1
47 1 8 1 "RMS(OBS, PRED)" HA 157 0.399 1
48 1 8 1 "RMS(OBS, PRED)" N 142 3.265 1
49 1 9 1 "RMS(OBS, PRED)" C 148 1.142 1
50 1 9 1 "RMS(OBS, PRED)" CA 150 1.352 1
51 1 9 1 "RMS(OBS, PRED)" CB 143 1.457 1
52 1 9 1 "RMS(OBS, PRED)" H 142 0.618 1
53 1 9 1 "RMS(OBS, PRED)" HA 157 0.384 1
54 1 9 1 "RMS(OBS, PRED)" N 142 3.166 1
55 1 10 1 "RMS(OBS, PRED)" C 148 1.087 1
56 1 10 1 "RMS(OBS, PRED)" CA 150 1.268 1
57 1 10 1 "RMS(OBS, PRED)" CB 143 1.497 1
58 1 10 1 "RMS(OBS, PRED)" H 142 0.561 1
59 1 10 1 "RMS(OBS, PRED)" HA 157 0.394 1
60 1 10 1 "RMS(OBS, PRED)" N 142 3.339 1
61 1 11 1 "RMS(OBS, PRED)" C 148 1.196 1
62 1 11 1 "RMS(OBS, PRED)" CA 150 1.274 1
63 1 11 1 "RMS(OBS, PRED)" CB 143 1.658 1
64 1 11 1 "RMS(OBS, PRED)" H 142 0.586 1
65 1 11 1 "RMS(OBS, PRED)" HA 157 0.419 1
66 1 11 1 "RMS(OBS, PRED)" N 142 3.281 1
67 1 12 1 "RMS(OBS, PRED)" C 148 1.136 1
68 1 12 1 "RMS(OBS, PRED)" CA 150 1.279 1
69 1 12 1 "RMS(OBS, PRED)" CB 143 1.545 1
70 1 12 1 "RMS(OBS, PRED)" H 142 0.584 1
71 1 12 1 "RMS(OBS, PRED)" HA 157 0.403 1
72 1 12 1 "RMS(OBS, PRED)" N 142 3.217 1
73 1 13 1 "RMS(OBS, PRED)" C 148 1.127 1
74 1 13 1 "RMS(OBS, PRED)" CA 150 1.376 1
75 1 13 1 "RMS(OBS, PRED)" CB 143 1.539 1
76 1 13 1 "RMS(OBS, PRED)" H 142 0.553 1
77 1 13 1 "RMS(OBS, PRED)" HA 157 0.402 1
78 1 13 1 "RMS(OBS, PRED)" N 142 3.358 1
79 1 14 1 "RMS(OBS, PRED)" C 148 1.099 1
80 1 14 1 "RMS(OBS, PRED)" CA 150 1.337 1
81 1 14 1 "RMS(OBS, PRED)" CB 143 1.407 1
82 1 14 1 "RMS(OBS, PRED)" H 142 0.542 1
83 1 14 1 "RMS(OBS, PRED)" HA 157 0.384 1
84 1 14 1 "RMS(OBS, PRED)" N 142 3.268 1
85 1 15 1 "RMS(OBS, PRED)" C 148 1.151 1
86 1 15 1 "RMS(OBS, PRED)" CA 150 1.322 1
87 1 15 1 "RMS(OBS, PRED)" CB 143 1.440 1
88 1 15 1 "RMS(OBS, PRED)" H 142 0.575 1
89 1 15 1 "RMS(OBS, PRED)" HA 157 0.385 1
90 1 15 1 "RMS(OBS, PRED)" N 142 3.288 1
91 1 16 1 "RMS(OBS, PRED)" C 148 1.166 1
92 1 16 1 "RMS(OBS, PRED)" CA 150 1.346 1
93 1 16 1 "RMS(OBS, PRED)" CB 143 1.494 1
94 1 16 1 "RMS(OBS, PRED)" H 142 0.588 1
95 1 16 1 "RMS(OBS, PRED)" HA 157 0.414 1
96 1 16 1 "RMS(OBS, PRED)" N 142 3.242 1
97 1 17 1 "RMS(OBS, PRED)" C 148 1.162 1
98 1 17 1 "RMS(OBS, PRED)" CA 150 1.313 1
99 1 17 1 "RMS(OBS, PRED)" CB 143 1.417 1
100 1 17 1 "RMS(OBS, PRED)" H 142 0.556 1
101 1 17 1 "RMS(OBS, PRED)" HA 157 0.368 1
102 1 17 1 "RMS(OBS, PRED)" N 142 3.331 1
103 1 18 1 "RMS(OBS, PRED)" C 148 1.140 1
104 1 18 1 "RMS(OBS, PRED)" CA 150 1.346 1
105 1 18 1 "RMS(OBS, PRED)" CB 143 1.483 1
106 1 18 1 "RMS(OBS, PRED)" H 142 0.553 1
107 1 18 1 "RMS(OBS, PRED)" HA 157 0.409 1
108 1 18 1 "RMS(OBS, PRED)" N 142 3.278 1
109 1 19 1 "RMS(OBS, PRED)" C 148 1.198 1
110 1 19 1 "RMS(OBS, PRED)" CA 150 1.372 1
111 1 19 1 "RMS(OBS, PRED)" CB 143 1.450 1
112 1 19 1 "RMS(OBS, PRED)" H 142 0.620 1
113 1 19 1 "RMS(OBS, PRED)" HA 157 0.412 1
114 1 19 1 "RMS(OBS, PRED)" N 142 3.156 1
115 1 20 1 "RMS(OBS, PRED)" C 148 1.201 1
116 1 20 1 "RMS(OBS, PRED)" CA 150 1.317 1
117 1 20 1 "RMS(OBS, PRED)" CB 143 1.501 1
118 1 20 1 "RMS(OBS, PRED)" H 142 0.607 1
119 1 20 1 "RMS(OBS, PRED)" HA 157 0.417 1
120 1 20 1 "RMS(OBS, PRED)" N 142 3.259 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER CA C 6 58.655 57.949 0.706 2
1 2 . 1 1 A 6 6 SER HA H 6 4.501 4.776 -0.275 2
1 3 . 1 1 A 6 6 SER CB C 6 63.644 64.570 -0.926 2
1 6 . 1 1 A 6 6 SER C C 6 175.063 174.257 0.806 2
1 7 . 1 1 A 7 7 GLY N N 7 111.113 111.142 -0.029 2
1 8 . 1 1 A 7 7 GLY H H 7 8.473 8.444 0.029 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.373 45.509 -0.136 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 3.967 4.087 -0.120 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 3.967 4.088 -0.121 2
1 12 . 1 1 A 7 7 GLY C C 7 173.934 173.024 0.910 2
1 13 . 1 1 A 8 8 ALA N N 8 123.788 124.323 -0.535 2
1 14 . 1 1 A 8 8 ALA H H 8 8.197 8.352 -0.156 2
1 15 . 1 1 A 8 8 ALA CA C 8 52.548 51.237 1.311 2
1 16 . 1 1 A 8 8 ALA HA H 8 4.342 4.781 -0.439 2
1 17 . 1 1 A 8 8 ALA CB C 8 19.403 20.635 -1.232 2
1 21 . 1 1 A 8 8 ALA C C 8 177.902 176.301 1.601 2
1 22 . 1 1 A 9 9 GLU N N 9 120.004 121.965 -1.961 2
1 23 . 1 1 A 9 9 GLU H H 9 8.524 8.599 -0.075 2
1 24 . 1 1 A 9 9 GLU CA C 9 56.763 55.478 1.285 2
1 25 . 1 1 A 9 9 GLU HA H 9 4.308 4.732 -0.424 2
1 26 . 1 1 A 9 9 GLU CB C 9 30.161 30.144 0.017 2
1 32 . 1 1 A 9 9 GLU C C 9 176.646 175.612 1.034 2
1 33 . 1 1 A 10 10 SER N N 10 116.268 119.818 -3.550 2
1 34 . 1 1 A 10 10 SER H H 10 8.305 8.532 -0.227 2
1 35 . 1 1 A 10 10 SER CA C 10 58.426 57.873 0.553 2
1 36 . 1 1 A 10 10 SER HA H 10 4.429 4.858 -0.429 2
1 37 . 1 1 A 10 10 SER CB C 10 63.933 65.271 -1.338 2
1 40 . 1 1 A 10 10 SER C C 10 174.267 173.835 0.432 2
1 41 . 1 1 A 11 11 GLU N N 11 122.435 123.877 -1.442 2
1 42 . 1 1 A 11 11 GLU H H 11 8.368 8.577 -0.209 2
1 43 . 1 1 A 11 11 GLU CA C 11 56.233 55.732 0.501 2
1 44 . 1 1 A 11 11 GLU HA H 11 4.367 4.558 -0.191 2
1 45 . 1 1 A 11 11 GLU CB C 11 30.692 31.219 -0.527 2
1 51 . 1 1 A 11 11 GLU C C 11 175.800 176.315 -0.515 2
1 52 . 1 1 A 12 12 SER N N 12 116.596 117.026 -0.430 2
1 53 . 1 1 A 12 12 SER H H 12 8.299 8.579 -0.280 2
1 54 . 1 1 A 12 12 SER CA C 12 58.355 57.847 0.508 2
1 55 . 1 1 A 12 12 SER HA H 12 4.457 4.946 -0.489 2
1 56 . 1 1 A 12 12 SER CB C 12 64.573 65.090 -0.517 2
1 59 . 1 1 A 12 12 SER C C 12 173.309 173.583 -0.274 2
1 60 . 1 1 A 13 13 PHE N N 13 121.293 119.853 1.441 2
1 61 . 1 1 A 13 13 PHE H H 13 8.346 9.038 -0.692 2
1 62 . 1 1 A 13 13 PHE CA C 13 56.851 56.395 0.456 2
1 63 . 1 1 A 13 13 PHE HA H 13 5.384 5.302 0.082 2
1 64 . 1 1 A 13 13 PHE CB C 13 42.542 43.355 -0.813 2
1 77 . 1 1 A 13 13 PHE C C 13 174.500 174.759 -0.259 2
1 78 . 1 1 A 14 14 VAL N N 14 116.020 116.085 -0.065 2
1 79 . 1 1 A 14 14 VAL H H 14 9.313 9.089 0.224 2
1 80 . 1 1 A 14 14 VAL CA C 14 60.141 59.432 0.709 2
1 81 . 1 1 A 14 14 VAL HA H 14 4.455 4.926 -0.471 2
1 82 . 1 1 A 14 14 VAL CB C 14 36.318 36.311 0.007 2
1 92 . 1 1 A 14 14 VAL C C 14 174.668 174.571 0.097 2
1 93 . 1 1 A 15 15 LEU N N 15 121.725 121.525 0.200 2
1 94 . 1 1 A 15 15 LEU H H 15 8.476 8.575 -0.099 2
1 95 . 1 1 A 15 15 LEU CA C 15 54.800 52.978 1.822 2
1 96 . 1 1 A 15 15 LEU HA H 15 4.403 4.849 -0.446 2
1 97 . 1 1 A 15 15 LEU CB C 15 39.816 43.087 -3.271 2
1 110 . 1 1 A 15 15 LEU C C 15 177.001 176.226 0.775 2
1 111 . 1 1 A 16 16 ASP N N 16 126.576 124.923 1.653 2
1 112 . 1 1 A 16 16 ASP H H 16 8.766 8.566 0.200 2
1 113 . 1 1 A 16 16 ASP CA C 16 52.828 53.373 -0.545 2
1 114 . 1 1 A 16 16 ASP HA H 16 5.081 4.819 0.262 2
1 115 . 1 1 A 16 16 ASP CB C 16 42.268 41.034 1.234 2
1 118 . 1 1 A 16 16 ASP C C 16 174.640 175.553 -0.913 2
1 119 . 1 1 A 17 17 PHE N N 17 112.958 117.524 -4.566 2
1 120 . 1 1 A 17 17 PHE H H 17 6.915 7.066 -0.151 2
1 121 . 1 1 A 17 17 PHE CA C 17 55.489 56.071 -0.582 2
1 122 . 1 1 A 17 17 PHE HA H 17 4.938 5.218 -0.280 2
1 123 . 1 1 A 17 17 PHE CB C 17 39.154 41.658 -2.504 2
1 136 . 1 1 A 17 17 PHE C C 17 173.746 173.357 0.389 2
1 137 . 1 1 A 18 18 SER N N 18 114.977 116.460 -1.483 2
1 138 . 1 1 A 18 18 SER H H 18 8.569 8.920 -0.351 2
1 139 . 1 1 A 18 18 SER CA C 18 57.046 58.293 -1.247 2
1 140 . 1 1 A 18 18 SER HA H 18 4.670 4.702 -0.032 2
1 141 . 1 1 A 18 18 SER CB C 18 63.974 63.935 0.039 2
1 144 . 1 1 A 18 18 SER C C 18 175.437 174.855 0.582 2
1 145 . 1 1 A 19 19 GLN N N 19 123.586 123.450 0.136 2
1 146 . 1 1 A 19 19 GLN H H 19 9.033 8.585 0.448 2
1 147 . 1 1 A 19 19 GLN CA C 19 54.023 54.983 -0.960 2
1 148 . 1 1 A 19 19 GLN HA H 19 4.558 4.498 0.060 2
1 149 . 1 1 A 19 19 GLN CB C 19 27.994 28.501 -0.507 2
1 158 . 1 1 A 19 19 GLN C C 19 177.642 176.314 1.328 2
1 159 . 1 1 A 20 20 PRO CA C 20 65.836 65.301 0.535 2
1 160 . 1 1 A 20 20 PRO HA H 20 4.370 4.503 -0.133 2
1 161 . 1 1 A 20 20 PRO CB C 20 32.556 32.231 0.325 2
1 170 . 1 1 A 20 20 PRO C C 20 178.374 178.248 0.126 2
1 171 . 1 1 A 21 21 SER N N 21 104.386 112.191 -7.805 2
1 172 . 1 1 A 21 21 SER H H 21 7.216 7.984 -0.768 2
1 173 . 1 1 A 21 21 SER CA C 21 58.886 61.200 -2.314 2
1 174 . 1 1 A 21 21 SER HA H 21 3.271 3.859 -0.588 2
1 175 . 1 1 A 21 21 SER CB C 21 62.401 62.622 -0.221 2
1 178 . 1 1 A 21 21 SER C C 21 174.423 176.828 -2.406 2
1 179 . 1 1 A 22 22 ALA N N 22 123.008 122.844 0.164 2
1 180 . 1 1 A 22 22 ALA H H 22 7.700 7.963 -0.263 2
1 181 . 1 1 A 22 22 ALA CA C 22 53.968 55.523 -1.555 2
1 182 . 1 1 A 22 22 ALA HA H 22 4.198 4.093 0.105 2
1 183 . 1 1 A 22 22 ALA CB C 22 18.504 19.047 -0.543 2
1 187 . 1 1 A 22 22 ALA C C 22 177.624 177.730 -0.106 2
1 188 . 1 1 A 23 23 ASP N N 23 117.789 117.652 0.137 2
1 189 . 1 1 A 23 23 ASP H H 23 7.080 7.998 -0.918 2
1 190 . 1 1 A 23 23 ASP CA C 23 52.151 53.185 -1.034 2
1 191 . 1 1 A 23 23 ASP HA H 23 4.893 4.952 -0.059 2
1 192 . 1 1 A 23 23 ASP CB C 23 40.592 40.640 -0.048 2
1 195 . 1 1 A 23 23 ASP C C 23 175.032 175.928 -0.896 2
1 196 . 1 1 A 24 24 TYR N N 24 123.295 126.593 -3.298 2
1 197 . 1 1 A 24 24 TYR H H 24 8.217 8.972 -0.755 2
1 198 . 1 1 A 24 24 TYR CA C 24 61.711 61.662 0.049 2
1 199 . 1 1 A 24 24 TYR HA H 24 4.196 4.059 0.137 2
1 200 . 1 1 A 24 24 TYR CB C 24 38.456 39.168 -0.712 2
1 211 . 1 1 A 24 24 TYR C C 24 177.434 177.286 0.148 2
1 212 . 1 1 A 25 25 LEU N N 25 119.429 121.064 -1.635 2
1 213 . 1 1 A 25 25 LEU H H 25 8.074 8.452 -0.378 2
1 214 . 1 1 A 25 25 LEU CA C 25 57.691 58.408 -0.717 2
1 215 . 1 1 A 25 25 LEU HA H 25 3.967 3.854 0.113 2
1 216 . 1 1 A 25 25 LEU CB C 25 41.388 41.518 -0.130 2
1 229 . 1 1 A 25 25 LEU C C 25 178.768 178.426 0.342 2
1 230 . 1 1 A 26 26 ASP N N 26 119.881 118.762 1.119 2
1 231 . 1 1 A 26 26 ASP H H 26 7.561 8.290 -0.729 2
1 232 . 1 1 A 26 26 ASP CA C 26 57.625 56.817 0.808 2
1 233 . 1 1 A 26 26 ASP HA H 26 4.367 4.358 0.009 2
1 234 . 1 1 A 26 26 ASP CB C 26 42.955 41.352 1.603 2
1 237 . 1 1 A 26 26 ASP C C 26 177.657 178.382 -0.725 2
1 238 . 1 1 A 27 27 PHE N N 27 118.946 120.437 -1.491 2
1 239 . 1 1 A 27 27 PHE H H 27 8.750 8.242 0.508 2
1 240 . 1 1 A 27 27 PHE CA C 27 61.323 61.123 0.200 2
1 241 . 1 1 A 27 27 PHE HA H 27 4.088 4.138 -0.050 2
1 242 . 1 1 A 27 27 PHE CB C 27 39.606 39.527 0.079 2
1 255 . 1 1 A 27 27 PHE C C 27 176.662 177.198 -0.536 2
1 256 . 1 1 A 28 28 ARG N N 28 116.744 118.557 -1.813 2
1 257 . 1 1 A 28 28 ARG H H 28 8.079 8.459 -0.379 2
1 258 . 1 1 A 28 28 ARG CA C 28 59.051 58.725 0.326 2
1 259 . 1 1 A 28 28 ARG HA H 28 3.590 3.973 -0.383 2
1 260 . 1 1 A 28 28 ARG CB C 28 29.516 29.880 -0.364 2
1 269 . 1 1 A 28 28 ARG C C 28 179.306 178.174 1.132 2
1 270 . 1 1 A 29 29 ASN N N 29 119.381 117.802 1.579 2
1 271 . 1 1 A 29 29 ASN H H 29 8.106 8.331 -0.225 2
1 272 . 1 1 A 29 29 ASN CA C 29 55.861 55.764 0.097 2
1 273 . 1 1 A 29 29 ASN HA H 29 4.361 4.402 -0.041 2
1 274 . 1 1 A 29 29 ASN CB C 29 37.622 37.981 -0.359 2
1 280 . 1 1 A 29 29 ASN C C 29 178.555 178.315 0.240 2
1 281 . 1 1 A 30 30 ARG N N 30 123.244 119.787 3.457 2
1 282 . 1 1 A 30 30 ARG H H 30 8.640 7.820 0.820 2
1 283 . 1 1 A 30 30 ARG CA C 30 59.708 58.559 1.149 2
1 284 . 1 1 A 30 30 ARG HA H 30 3.912 3.983 -0.071 2
1 285 . 1 1 A 30 30 ARG CB C 30 30.910 29.899 1.011 2
1 296 . 1 1 A 30 30 ARG C C 30 178.651 178.663 -0.012 2
1 297 . 1 1 A 31 31 LEU N N 31 119.911 121.296 -1.385 2
1 298 . 1 1 A 31 31 LEU H H 31 7.988 7.497 0.491 2
1 299 . 1 1 A 31 31 LEU CA C 31 58.049 56.584 1.465 2
1 300 . 1 1 A 31 31 LEU HA H 31 3.409 3.919 -0.510 2
1 301 . 1 1 A 31 31 LEU CB C 31 41.342 41.379 -0.037 2
1 314 . 1 1 A 31 31 LEU C C 31 178.698 177.944 0.754 2
1 315 . 1 1 A 32 32 GLN N N 32 114.904 118.088 -3.184 2
1 316 . 1 1 A 32 32 GLN H H 32 7.416 7.720 -0.304 2
1 317 . 1 1 A 32 32 GLN CA C 32 58.019 57.238 0.781 2
1 318 . 1 1 A 32 32 GLN HA H 32 3.891 4.194 -0.303 2
1 319 . 1 1 A 32 32 GLN CB C 32 28.679 29.172 -0.493 2
1 328 . 1 1 A 32 32 GLN C C 32 176.457 176.906 -0.449 2
1 329 . 1 1 A 33 33 ALA N N 33 119.088 120.842 -1.754 2
1 330 . 1 1 A 33 33 ALA H H 33 7.791 7.589 0.202 2
1 331 . 1 1 A 33 33 ALA CA C 33 54.057 53.129 0.928 2
1 332 . 1 1 A 33 33 ALA HA H 33 4.099 4.122 -0.023 2
1 333 . 1 1 A 33 33 ALA CB C 33 19.921 19.172 0.749 2
1 337 . 1 1 A 33 33 ALA C C 33 178.303 177.558 0.745 2
1 338 . 1 1 A 34 34 ASP N N 34 115.377 117.090 -1.713 2
1 339 . 1 1 A 34 34 ASP H H 34 8.662 7.878 0.784 2
1 340 . 1 1 A 34 34 ASP CA C 34 55.153 53.423 1.730 2
1 341 . 1 1 A 34 34 ASP HA H 34 4.698 4.634 0.064 2
1 342 . 1 1 A 34 34 ASP CB C 34 41.976 41.353 0.623 2
1 345 . 1 1 A 34 34 ASP C C 34 177.531 175.393 2.138 2
1 346 . 1 1 A 35 35 HIS N N 35 108.110 116.127 -8.017 2
1 347 . 1 1 A 35 35 HIS H H 35 7.018 7.651 -0.633 2
1 348 . 1 1 A 35 35 HIS CA C 35 58.336 56.821 1.515 2
1 349 . 1 1 A 35 35 HIS HA H 35 4.543 4.365 0.178 2
1 350 . 1 1 A 35 35 HIS CB C 35 26.472 26.527 -0.056 2
1 357 . 1 1 A 35 35 HIS C C 35 171.507 173.354 -1.847 2
1 358 . 1 1 A 36 36 VAL N N 36 115.529 116.655 -1.126 2
1 359 . 1 1 A 36 36 VAL H H 36 7.065 7.270 -0.205 2
1 360 . 1 1 A 36 36 VAL CA C 36 58.549 60.701 -2.152 2
1 361 . 1 1 A 36 36 VAL HA H 36 4.867 4.401 0.466 2
1 362 . 1 1 A 36 36 VAL CB C 36 33.135 34.297 -1.162 2
1 372 . 1 1 A 36 36 VAL C C 36 171.953 173.695 -1.742 2
1 373 . 1 1 A 37 37 CYS N N 37 124.685 124.736 -0.051 2
1 374 . 1 1 A 37 37 CYS H H 37 8.694 8.275 0.419 2
1 375 . 1 1 A 37 37 CYS CA C 37 59.979 58.436 1.543 2
1 376 . 1 1 A 37 37 CYS HA H 37 4.594 4.993 -0.399 2
1 377 . 1 1 A 37 37 CYS CB C 37 29.016 31.210 -2.194 2
1 380 . 1 1 A 37 37 CYS C C 37 173.445 172.988 0.457 2
1 381 . 1 1 A 38 38 LEU N N 38 132.291 127.434 4.857 2
1 382 . 1 1 A 38 38 LEU H H 38 9.625 8.747 0.878 2
1 383 . 1 1 A 38 38 LEU CA C 38 57.958 55.478 2.480 2
1 384 . 1 1 A 38 38 LEU HA H 38 4.167 4.664 -0.497 2
1 385 . 1 1 A 38 38 LEU CB C 38 42.189 42.852 -0.663 2
1 398 . 1 1 A 38 38 LEU C C 38 173.188 177.120 -3.932 2
1 399 . 1 1 A 39 39 GLU N N 39 127.988 128.086 -0.098 2
1 400 . 1 1 A 39 39 GLU H H 39 9.267 9.263 0.004 2
1 401 . 1 1 A 39 39 GLU CA C 39 57.435 58.578 -1.143 2
1 402 . 1 1 A 39 39 GLU HA H 39 4.521 4.304 0.217 2
1 403 . 1 1 A 39 39 GLU CB C 39 31.891 30.314 1.577 2
1 409 . 1 1 A 39 39 GLU C C 39 175.300 176.443 -1.143 2
1 410 . 1 1 A 40 40 ASN N N 40 115.109 113.250 1.859 2
1 411 . 1 1 A 40 40 ASN H H 40 7.757 7.714 0.043 2
1 412 . 1 1 A 40 40 ASN CA C 40 52.151 51.648 0.503 2
1 413 . 1 1 A 40 40 ASN HA H 40 5.353 5.344 0.009 2
1 414 . 1 1 A 40 40 ASN CB C 40 43.324 41.869 1.455 2
1 420 . 1 1 A 40 40 ASN C C 40 173.918 173.312 0.606 2
1 421 . 1 1 A 41 41 CYS N N 41 120.861 120.009 0.852 2
1 422 . 1 1 A 41 41 CYS H H 41 9.646 9.071 0.575 2
1 423 . 1 1 A 41 41 CYS CA C 41 58.934 57.361 1.573 2
1 424 . 1 1 A 41 41 CYS HA H 41 5.167 5.169 -0.002 2
1 425 . 1 1 A 41 41 CYS CB C 41 30.293 29.961 0.332 2
1 428 . 1 1 A 41 41 CYS C C 41 171.600 173.665 -2.065 2
1 429 . 1 1 A 42 42 VAL N N 42 126.721 123.557 3.164 2
1 430 . 1 1 A 42 42 VAL H H 42 9.532 8.954 0.578 2
1 431 . 1 1 A 42 42 VAL CA C 42 60.463 59.935 0.528 2
1 432 . 1 1 A 42 42 VAL HA H 42 4.454 4.901 -0.447 2
1 433 . 1 1 A 42 42 VAL CB C 42 35.496 34.067 1.429 2
1 443 . 1 1 A 42 42 VAL C C 42 173.645 174.126 -0.481 2
1 444 . 1 1 A 43 43 LEU N N 43 127.183 124.058 3.125 2
1 445 . 1 1 A 43 43 LEU H H 43 8.597 8.732 -0.135 2
1 446 . 1 1 A 43 43 LEU CA C 43 54.209 53.598 0.611 2
1 447 . 1 1 A 43 43 LEU HA H 43 5.050 5.156 -0.106 2
1 448 . 1 1 A 43 43 LEU CB C 43 43.450 46.093 -2.643 2
1 461 . 1 1 A 43 43 LEU C C 43 176.151 174.887 1.264 2
1 462 . 1 1 A 44 44 LYS N N 44 127.086 125.316 1.770 2
1 463 . 1 1 A 44 44 LYS H H 44 8.726 9.140 -0.414 2
1 464 . 1 1 A 44 44 LYS CA C 44 55.033 54.430 0.603 2
1 465 . 1 1 A 44 44 LYS HA H 44 4.552 4.777 -0.225 2
1 466 . 1 1 A 44 44 LYS CB C 44 34.147 35.478 -1.331 2
1 478 . 1 1 A 44 44 LYS C C 44 175.176 176.469 -1.293 2
1 479 . 1 1 A 45 45 ASP N N 45 123.045 120.872 2.173 2
1 480 . 1 1 A 45 45 ASP H H 45 8.876 8.711 0.165 2
1 481 . 1 1 A 45 45 ASP CA C 45 56.515 55.846 0.669 2
1 482 . 1 1 A 45 45 ASP HA H 45 4.321 4.407 -0.086 2
1 483 . 1 1 A 45 45 ASP CB C 45 39.782 40.548 -0.766 2
1 486 . 1 1 A 45 45 ASP C C 45 175.339 176.633 -1.294 2
1 487 . 1 1 A 46 46 LYS N N 46 118.201 118.478 -0.277 2
1 488 . 1 1 A 46 46 LYS H H 46 8.620 8.777 -0.157 2
1 489 . 1 1 A 46 46 LYS CA C 46 56.158 56.740 -0.582 2
1 490 . 1 1 A 46 46 LYS HA H 46 4.079 4.019 0.060 2
1 491 . 1 1 A 46 46 LYS CB C 46 30.929 30.932 -0.003 2
1 503 . 1 1 A 46 46 LYS C C 46 174.615 175.185 -0.570 2
1 504 . 1 1 A 47 47 ALA N N 47 121.283 118.489 2.794 2
1 505 . 1 1 A 47 47 ALA H H 47 7.611 7.262 0.349 2
1 506 . 1 1 A 47 47 ALA CA C 47 51.809 51.517 0.291 2
1 507 . 1 1 A 47 47 ALA HA H 47 5.105 4.842 0.263 2
1 508 . 1 1 A 47 47 ALA CB C 47 22.739 23.097 -0.358 2
1 512 . 1 1 A 47 47 ALA C C 47 175.508 175.188 0.320 2
1 513 . 1 1 A 48 48 ILE N N 48 114.639 114.524 0.115 2
1 514 . 1 1 A 48 48 ILE H H 48 8.819 8.555 0.265 2
1 515 . 1 1 A 48 48 ILE CA C 48 59.017 59.192 -0.175 2
1 516 . 1 1 A 48 48 ILE HA H 48 5.230 5.120 0.110 2
1 517 . 1 1 A 48 48 ILE CB C 48 41.811 42.480 -0.669 2
1 530 . 1 1 A 48 48 ILE C C 48 172.954 174.317 -1.363 2
1 531 . 1 1 A 49 49 ALA N N 49 126.155 122.745 3.410 2
1 532 . 1 1 A 49 49 ALA H H 49 8.652 8.321 0.331 2
1 533 . 1 1 A 49 49 ALA CA C 49 50.095 51.146 -1.051 2
1 534 . 1 1 A 49 49 ALA HA H 49 4.769 5.068 -0.299 2
1 535 . 1 1 A 49 49 ALA CB C 49 22.651 22.497 0.154 2
1 539 . 1 1 A 49 49 ALA C C 49 175.812 175.686 0.126 2
1 540 . 1 1 A 50 50 GLY N N 50 105.980 106.855 -0.875 2
1 541 . 1 1 A 50 50 GLY H H 50 6.754 6.982 -0.228 2
1 542 . 1 1 A 50 50 GLY CA C 50 46.134 44.944 1.190 2
1 543 . 1 1 A 50 50 GLY HA2 H 50 3.803 3.838 -0.035 2
1 544 . 1 1 A 50 50 GLY HA3 H 50 4.077 4.024 0.053 2
1 545 . 1 1 A 50 50 GLY C C 50 172.510 172.205 0.305 2
1 546 . 1 1 A 51 51 THR N N 51 108.648 111.541 -2.893 2
1 547 . 1 1 A 51 51 THR H H 51 8.556 8.765 -0.209 2
1 548 . 1 1 A 51 51 THR CA C 51 59.116 60.171 -1.055 2
1 549 . 1 1 A 51 51 THR HA H 51 5.588 5.615 -0.027 2
1 550 . 1 1 A 51 51 THR CB C 51 72.737 70.770 1.967 2
1 556 . 1 1 A 51 51 THR C C 51 174.087 173.782 0.305 2
1 557 . 1 1 A 52 52 VAL N N 52 122.025 125.956 -3.931 2
1 558 . 1 1 A 52 52 VAL H H 52 9.746 9.482 0.264 2
1 559 . 1 1 A 52 52 VAL CA C 52 61.371 61.182 0.188 2
1 560 . 1 1 A 52 52 VAL HA H 52 4.463 4.767 -0.304 2
1 561 . 1 1 A 52 52 VAL CB C 52 36.986 33.908 3.078 2
1 571 . 1 1 A 52 52 VAL C C 52 174.687 174.971 -0.284 2
1 572 . 1 1 A 53 53 LYS N N 53 125.115 127.019 -1.904 2
1 573 . 1 1 A 53 53 LYS H H 53 8.567 9.044 -0.477 2
1 574 . 1 1 A 53 53 LYS CA C 53 53.668 55.066 -1.398 2
1 575 . 1 1 A 53 53 LYS HA H 53 5.599 5.149 0.450 2
1 576 . 1 1 A 53 53 LYS CB C 53 37.855 35.111 2.744 2
1 588 . 1 1 A 53 53 LYS C C 53 174.697 175.735 -1.038 2
1 589 . 1 1 A 54 54 VAL N N 54 110.661 118.263 -7.602 2
1 590 . 1 1 A 54 54 VAL H H 54 8.498 8.864 -0.366 2
1 591 . 1 1 A 54 54 VAL CA C 54 57.682 58.783 -1.101 2
1 592 . 1 1 A 54 54 VAL HA H 54 4.825 4.529 0.296 2
1 593 . 1 1 A 54 54 VAL CB C 54 34.634 35.556 -0.922 2
1 603 . 1 1 A 54 54 VAL C C 54 176.105 174.269 1.836 2
1 604 . 1 1 A 55 55 GLN N N 55 119.414 120.926 -1.512 2
1 605 . 1 1 A 55 55 GLN H H 55 7.924 8.178 -0.254 2
1 606 . 1 1 A 55 55 GLN CA C 55 56.023 55.166 0.857 2
1 607 . 1 1 A 55 55 GLN HA H 55 4.456 4.628 -0.172 2
1 608 . 1 1 A 55 55 GLN CB C 55 30.216 30.181 0.035 2
1 617 . 1 1 A 55 55 GLN C C 55 176.800 175.998 0.802 2
1 618 . 1 1 A 56 56 ASN N N 56 125.676 121.732 3.944 2
1 619 . 1 1 A 56 56 ASN H H 56 8.837 8.883 -0.046 2
1 620 . 1 1 A 56 56 ASN CA C 56 53.190 52.438 0.752 2
1 621 . 1 1 A 56 56 ASN HA H 56 4.575 4.843 -0.268 2
1 622 . 1 1 A 56 56 ASN CB C 56 36.855 37.273 -0.418 2
1 628 . 1 1 A 56 56 ASN C C 56 174.747 175.582 -0.835 2
1 629 . 1 1 A 57 57 LEU N N 57 124.779 124.484 0.295 2
1 630 . 1 1 A 57 57 LEU H H 57 7.284 8.331 -1.047 2
1 631 . 1 1 A 57 57 LEU CA C 57 55.224 57.292 -2.068 2
1 632 . 1 1 A 57 57 LEU HA H 57 4.326 4.110 0.216 2
1 633 . 1 1 A 57 57 LEU CB C 57 43.634 42.372 1.262 2
1 646 . 1 1 A 57 57 LEU C C 57 176.186 176.940 -0.754 2
1 647 . 1 1 A 58 58 ALA N N 58 119.342 119.329 0.013 2
1 648 . 1 1 A 58 58 ALA H H 58 7.724 7.811 -0.087 2
1 649 . 1 1 A 58 58 ALA CA C 58 51.687 50.208 1.479 2
1 650 . 1 1 A 58 58 ALA HA H 58 4.343 4.597 -0.254 2
1 651 . 1 1 A 58 58 ALA CB C 58 21.122 21.315 -0.193 2
1 655 . 1 1 A 58 58 ALA C C 58 175.847 177.688 -1.841 2
1 656 . 1 1 A 59 59 PHE N N 59 118.235 119.346 -1.111 2
1 657 . 1 1 A 59 59 PHE H H 59 8.231 8.792 -0.561 2
1 658 . 1 1 A 59 59 PHE CA C 59 60.105 61.482 -1.377 2
1 659 . 1 1 A 59 59 PHE HA H 59 4.428 4.222 0.206 2
1 660 . 1 1 A 59 59 PHE CB C 59 40.386 39.397 0.989 2
1 673 . 1 1 A 59 59 PHE C C 59 176.670 175.801 0.869 2
1 674 . 1 1 A 60 60 GLU N N 60 120.295 117.107 3.188 2
1 675 . 1 1 A 60 60 GLU H H 60 8.482 7.768 0.714 2
1 676 . 1 1 A 60 60 GLU CA C 60 57.134 55.917 1.217 2
1 677 . 1 1 A 60 60 GLU HA H 60 4.306 4.747 -0.441 2
1 678 . 1 1 A 60 60 GLU CB C 60 29.569 31.314 -1.745 2
1 684 . 1 1 A 60 60 GLU C C 60 175.584 176.104 -0.520 2
1 685 . 1 1 A 61 61 LYS N N 61 123.512 120.754 2.758 2
1 686 . 1 1 A 61 61 LYS H H 61 8.377 8.758 -0.381 2
1 687 . 1 1 A 61 61 LYS CA C 61 55.939 54.703 1.236 2
1 688 . 1 1 A 61 61 LYS HA H 61 5.038 5.147 -0.109 2
1 689 . 1 1 A 61 61 LYS CB C 61 37.890 36.874 1.016 2
1 701 . 1 1 A 61 61 LYS C C 61 175.510 175.123 0.387 2
1 702 . 1 1 A 62 62 THR N N 62 117.107 116.283 0.824 2
1 703 . 1 1 A 62 62 THR H H 62 8.285 8.361 -0.076 2
1 704 . 1 1 A 62 62 THR CA C 62 62.340 61.588 0.752 2
1 705 . 1 1 A 62 62 THR HA H 62 4.435 4.824 -0.389 2
1 706 . 1 1 A 62 62 THR CB C 62 71.605 70.584 1.021 2
1 712 . 1 1 A 62 62 THR C C 62 172.156 173.118 -0.962 2
1 713 . 1 1 A 63 63 VAL N N 63 128.402 127.603 0.799 2
1 714 . 1 1 A 63 63 VAL H H 63 8.719 8.814 -0.095 2
1 715 . 1 1 A 63 63 VAL CA C 63 60.707 61.104 -0.397 2
1 716 . 1 1 A 63 63 VAL HA H 63 4.755 4.593 0.162 2
1 717 . 1 1 A 63 63 VAL CB C 63 35.210 32.733 2.477 2
1 727 . 1 1 A 63 63 VAL C C 63 174.313 175.320 -1.007 2
1 728 . 1 1 A 64 64 LYS N N 64 123.629 125.613 -1.984 2
1 729 . 1 1 A 64 64 LYS H H 64 8.519 8.428 0.091 2
1 730 . 1 1 A 64 64 LYS CA C 64 54.850 54.800 0.050 2
1 731 . 1 1 A 64 64 LYS HA H 64 4.997 5.085 -0.088 2
1 732 . 1 1 A 64 64 LYS CB C 64 37.343 36.210 1.133 2
1 744 . 1 1 A 64 64 LYS C C 64 173.348 175.286 -1.938 2
1 745 . 1 1 A 65 65 ILE N N 65 119.250 124.334 -5.084 2
1 746 . 1 1 A 65 65 ILE H H 65 8.637 8.584 0.053 2
1 747 . 1 1 A 65 65 ILE CA C 65 57.894 60.342 -2.448 2
1 748 . 1 1 A 65 65 ILE HA H 65 4.451 4.639 -0.188 2
1 749 . 1 1 A 65 65 ILE CB C 65 37.638 38.535 -0.897 2
1 762 . 1 1 A 65 65 ILE C C 65 174.893 175.198 -0.305 2
1 763 . 1 1 A 66 66 ARG N N 66 130.193 127.239 2.954 2
1 764 . 1 1 A 66 66 ARG H H 66 9.244 8.815 0.429 2
1 765 . 1 1 A 66 66 ARG CA C 66 55.930 54.918 1.012 2
1 766 . 1 1 A 66 66 ARG HA H 66 5.440 4.998 0.442 2
1 767 . 1 1 A 66 66 ARG CB C 66 31.514 31.936 -0.422 2
1 778 . 1 1 A 66 66 ARG C C 66 174.161 174.638 -0.477 2
1 779 . 1 1 A 67 67 MET N N 67 128.046 125.832 2.214 2
1 780 . 1 1 A 67 67 MET H H 67 9.343 9.217 0.126 2
1 781 . 1 1 A 67 67 MET CA C 67 54.217 53.873 0.344 2
1 782 . 1 1 A 67 67 MET HA H 67 5.318 5.250 0.068 2
1 783 . 1 1 A 67 67 MET CB C 67 37.533 35.821 1.712 2
1 793 . 1 1 A 67 67 MET C C 67 173.432 173.948 -0.516 2
1 794 . 1 1 A 68 68 THR N N 68 118.404 118.395 0.009 2
1 795 . 1 1 A 68 68 THR H H 68 8.474 8.353 0.121 2
1 796 . 1 1 A 68 68 THR CA C 68 58.903 59.342 -0.439 2
1 797 . 1 1 A 68 68 THR HA H 68 3.948 4.920 -0.972 2
1 798 . 1 1 A 68 68 THR CB C 68 71.091 71.215 -0.124 2
1 804 . 1 1 A 68 68 THR C C 68 170.783 173.086 -2.303 2
1 805 . 1 1 A 69 69 PHE N N 69 124.029 123.421 0.608 2
1 806 . 1 1 A 69 69 PHE H H 69 8.910 9.117 -0.207 2
1 807 . 1 1 A 69 69 PHE CA C 69 55.772 57.595 -1.823 2
1 808 . 1 1 A 69 69 PHE HA H 69 4.783 4.767 0.016 2
1 809 . 1 1 A 69 69 PHE CB C 69 39.748 40.260 -0.512 2
1 822 . 1 1 A 69 69 PHE C C 69 174.951 175.059 -0.108 2
1 823 . 1 1 A 70 70 ASP N N 70 121.457 119.356 2.102 2
1 824 . 1 1 A 70 70 ASP H H 70 8.841 7.310 1.531 2
1 825 . 1 1 A 70 70 ASP CA C 70 52.288 52.725 -0.437 2
1 826 . 1 1 A 70 70 ASP HA H 70 4.661 5.009 -0.348 2
1 827 . 1 1 A 70 70 ASP CB C 70 40.026 41.496 -1.470 2
1 830 . 1 1 A 70 70 ASP C C 70 177.065 175.592 1.473 2
1 831 . 1 1 A 71 71 THR N N 71 114.661 115.946 -1.285 2
1 832 . 1 1 A 71 71 THR H H 71 8.724 8.860 -0.136 2
1 833 . 1 1 A 71 71 THR CA C 71 63.824 63.086 0.738 2
1 834 . 1 1 A 71 71 THR HA H 71 3.181 3.994 -0.813 2
1 835 . 1 1 A 71 71 THR CB C 71 66.535 66.972 -0.437 2
1 841 . 1 1 A 71 71 THR C C 71 173.648 173.999 -0.351 2
1 842 . 1 1 A 72 72 TRP N N 72 111.097 113.403 -2.306 2
1 843 . 1 1 A 72 72 TRP H H 72 8.854 8.004 0.850 2
1 844 . 1 1 A 72 72 TRP CA C 72 58.910 57.927 0.983 2
1 845 . 1 1 A 72 72 TRP HA H 72 3.951 4.272 -0.321 2
1 846 . 1 1 A 72 72 TRP CB C 72 24.332 26.533 -2.201 2
1 861 . 1 1 A 72 72 TRP C C 72 176.875 176.204 0.671 2
1 862 . 1 1 A 73 73 LYS N N 73 124.701 117.657 7.044 2
1 863 . 1 1 A 73 73 LYS H H 73 7.785 8.320 -0.535 2
1 864 . 1 1 A 73 73 LYS CA C 73 60.463 56.871 3.592 2
1 865 . 1 1 A 73 73 LYS HA H 73 4.174 4.485 -0.311 2
1 866 . 1 1 A 73 73 LYS CB C 73 31.024 34.810 -3.786 2
1 878 . 1 1 A 73 73 LYS C C 73 177.622 176.686 0.936 2
1 879 . 1 1 A 74 74 SER N N 74 117.041 112.064 4.977 2
1 880 . 1 1 A 74 74 SER H H 74 10.002 7.663 2.339 2
1 881 . 1 1 A 74 74 SER CA C 74 57.539 57.078 0.461 2
1 882 . 1 1 A 74 74 SER HA H 74 4.556 4.687 -0.131 2
1 883 . 1 1 A 74 74 SER CB C 74 66.372 64.304 2.068 2
1 886 . 1 1 A 74 74 SER C C 74 171.956 172.221 -0.265 2
1 887 . 1 1 A 75 75 TYR N N 75 113.320 124.057 -10.737 2
1 888 . 1 1 A 75 75 TYR H H 75 7.735 8.431 -0.696 2
1 889 . 1 1 A 75 75 TYR CA C 75 57.155 55.292 1.863 2
1 890 . 1 1 A 75 75 TYR HA H 75 5.229 5.750 -0.521 2
1 891 . 1 1 A 75 75 TYR CB C 75 40.745 41.989 -1.244 2
1 902 . 1 1 A 75 75 TYR C C 75 174.262 174.059 0.204 2
1 903 . 1 1 A 76 76 THR N N 76 117.158 114.686 2.472 2
1 904 . 1 1 A 76 76 THR H H 76 9.212 8.572 0.640 2
1 905 . 1 1 A 76 76 THR CA C 76 62.104 60.991 1.113 2
1 906 . 1 1 A 76 76 THR HA H 76 4.318 4.877 -0.559 2
1 907 . 1 1 A 76 76 THR CB C 76 72.675 71.615 1.060 2
1 913 . 1 1 A 76 76 THR C C 76 171.344 172.510 -1.166 2
1 914 . 1 1 A 77 77 ASP N N 77 125.875 125.742 0.133 2
1 915 . 1 1 A 77 77 ASP H H 77 8.569 8.694 -0.125 2
1 916 . 1 1 A 77 77 ASP CA C 77 52.422 53.380 -0.958 2
1 917 . 1 1 A 77 77 ASP HA H 77 5.865 4.857 1.008 2
1 918 . 1 1 A 77 77 ASP CB C 77 41.512 41.333 0.179 2
1 921 . 1 1 A 77 77 ASP C C 77 175.921 175.044 0.877 2
1 922 . 1 1 A 78 78 PHE N N 78 125.666 123.837 1.829 2
1 923 . 1 1 A 78 78 PHE H H 78 9.992 8.360 1.632 2
1 924 . 1 1 A 78 78 PHE CA C 78 55.578 55.866 -0.288 2
1 925 . 1 1 A 78 78 PHE HA H 78 4.943 4.960 -0.017 2
1 926 . 1 1 A 78 78 PHE CB C 78 40.375 40.218 0.157 2
1 939 . 1 1 A 78 78 PHE C C 78 173.610 174.072 -0.462 2
1 940 . 1 1 A 79 79 PRO CA C 79 63.363 63.165 0.198 2
1 941 . 1 1 A 79 79 PRO HA H 79 4.615 4.607 0.008 2
1 942 . 1 1 A 79 79 PRO CB C 79 32.787 32.456 0.331 2
1 951 . 1 1 A 79 79 PRO C C 79 176.681 176.902 -0.221 2
1 952 . 1 1 A 80 80 CYS N N 80 117.289 121.675 -4.386 2
1 953 . 1 1 A 80 80 CYS H H 80 8.308 8.140 0.168 2
1 954 . 1 1 A 80 80 CYS CA C 80 57.675 59.425 -1.750 2
1 955 . 1 1 A 80 80 CYS HA H 80 5.242 4.988 0.254 2
1 956 . 1 1 A 80 80 CYS CB C 80 30.658 29.267 1.391 2
1 959 . 1 1 A 80 80 CYS C C 80 174.899 174.819 0.080 2
1 960 . 1 1 A 81 81 GLN N N 81 122.188 121.091 1.097 2
1 961 . 1 1 A 81 81 GLN H H 81 9.312 8.893 0.419 2
1 962 . 1 1 A 81 81 GLN CA C 81 54.620 54.654 -0.034 2
1 963 . 1 1 A 81 81 GLN HA H 81 4.911 4.969 -0.058 2
1 964 . 1 1 A 81 81 GLN CB C 81 31.213 31.453 -0.241 2
1 973 . 1 1 A 81 81 GLN C C 81 175.035 174.177 0.858 2
1 974 . 1 1 A 82 82 TYR N N 82 125.814 123.073 2.741 2
1 975 . 1 1 A 82 82 TYR H H 82 8.919 8.962 -0.043 2
1 976 . 1 1 A 82 82 TYR CA C 82 58.764 56.197 2.567 2
1 977 . 1 1 A 82 82 TYR HA H 82 3.403 5.168 -1.765 2
1 978 . 1 1 A 82 82 TYR CB C 82 38.346 41.212 -2.866 2
1 989 . 1 1 A 82 82 TYR C C 82 175.413 173.943 1.470 2
1 990 . 1 1 A 83 83 VAL N N 83 129.316 127.045 2.271 2
1 991 . 1 1 A 83 83 VAL H H 83 7.782 8.458 -0.676 2
1 992 . 1 1 A 83 83 VAL CA C 83 61.693 61.888 -0.195 2
1 993 . 1 1 A 83 83 VAL HA H 83 3.758 4.365 -0.607 2
1 994 . 1 1 A 83 83 VAL CB C 83 32.564 32.052 0.512 2
1 1004 . 1 1 A 83 83 VAL C C 83 173.771 174.977 -1.206 2
1 1005 . 1 1 A 84 84 LYS N N 84 126.665 126.324 0.341 2
1 1006 . 1 1 A 84 84 LYS H H 84 8.174 8.704 -0.529 2
1 1007 . 1 1 A 84 84 LYS CA C 84 56.144 55.379 0.765 2
1 1008 . 1 1 A 84 84 LYS HA H 84 4.016 4.765 -0.749 2
1 1009 . 1 1 A 84 84 LYS CB C 84 32.170 33.018 -0.848 2
1 1021 . 1 1 A 84 84 LYS C C 84 175.610 175.241 0.369 2
1 1022 . 1 1 A 85 85 ASP N N 85 124.262 124.002 0.260 2
1 1023 . 1 1 A 85 85 ASP H H 85 7.864 8.047 -0.183 2
1 1024 . 1 1 A 85 85 ASP CA C 85 53.349 53.434 -0.085 2
1 1025 . 1 1 A 85 85 ASP HA H 85 4.678 4.885 -0.207 2
1 1026 . 1 1 A 85 85 ASP CB C 85 41.683 43.239 -1.556 2
1 1029 . 1 1 A 85 85 ASP C C 85 176.841 176.514 0.327 2
1 1030 . 1 1 A 86 86 THR N N 86 113.656 118.535 -4.879 2
1 1031 . 1 1 A 86 86 THR H H 86 8.065 8.716 -0.651 2
1 1032 . 1 1 A 86 86 THR CA C 86 63.274 65.767 -2.493 2
1 1033 . 1 1 A 86 86 THR HA H 86 4.086 3.885 0.201 2
1 1034 . 1 1 A 86 86 THR CB C 86 69.257 68.812 0.445 2
1 1040 . 1 1 A 86 86 THR C C 86 174.589 175.624 -1.035 2
1 1041 . 1 1 A 87 87 TYR N N 87 120.837 119.145 1.692 2
1 1042 . 1 1 A 87 87 TYR H H 87 8.064 7.706 0.358 2
1 1043 . 1 1 A 87 87 TYR CA C 87 58.054 59.447 -1.393 2
1 1044 . 1 1 A 87 87 TYR HA H 87 4.527 4.390 0.137 2
1 1045 . 1 1 A 87 87 TYR CB C 87 38.297 38.050 0.247 2
1 1056 . 1 1 A 87 87 TYR C C 87 175.590 176.021 -0.431 2
1 1057 . 1 1 A 88 88 ALA N N 88 125.226 121.369 3.857 2
1 1058 . 1 1 A 88 88 ALA H H 88 7.963 7.631 0.332 2
1 1059 . 1 1 A 88 88 ALA CA C 88 53.104 52.429 0.675 2
1 1060 . 1 1 A 88 88 ALA HA H 88 4.389 4.380 0.009 2
1 1061 . 1 1 A 88 88 ALA CB C 88 19.127 20.089 -0.962 2
1 1065 . 1 1 A 88 88 ALA C C 88 178.497 177.474 1.023 2
1 1066 . 1 1 A 89 89 GLY N N 89 109.029 110.588 -1.559 2
1 1067 . 1 1 A 89 89 GLY H H 89 8.479 8.546 -0.067 2
1 1068 . 1 1 A 89 89 GLY CA C 89 45.426 45.542 -0.116 2
1 1069 . 1 1 A 89 89 GLY HA2 H 89 3.952 4.040 -0.088 2
1 1070 . 1 1 A 89 89 GLY HA3 H 89 4.079 4.051 0.028 2
1 1071 . 1 1 A 89 89 GLY C C 89 174.563 174.900 -0.337 2
1 1072 . 1 1 A 90 90 SER N N 90 115.638 116.802 -1.164 2
1 1073 . 1 1 A 90 90 SER H H 90 8.232 8.498 -0.266 2
1 1074 . 1 1 A 90 90 SER CA C 90 58.443 60.628 -2.185 2
1 1075 . 1 1 A 90 90 SER HA H 90 4.574 4.416 0.158 2
1 1076 . 1 1 A 90 90 SER CB C 90 63.865 63.677 0.188 2
1 1079 . 1 1 A 90 90 SER C C 90 174.212 175.541 -1.329 2
1 1080 . 1 1 A 91 91 ASP N N 91 120.185 120.941 -0.756 2
1 1081 . 1 1 A 91 91 ASP H H 91 8.691 8.264 0.427 2
1 1082 . 1 1 A 91 91 ASP CA C 91 55.012 56.426 -1.414 2
1 1083 . 1 1 A 91 91 ASP HA H 91 4.684 4.505 0.179 2
1 1084 . 1 1 A 91 91 ASP CB C 91 40.643 40.992 -0.349 2
1 1087 . 1 1 A 91 91 ASP C C 91 176.350 176.373 -0.023 2
1 1088 . 1 1 A 92 92 ARG N N 92 119.690 117.242 2.448 2
1 1089 . 1 1 A 92 92 ARG H H 92 8.072 7.750 0.322 2
1 1090 . 1 1 A 92 92 ARG CA C 92 54.941 55.466 -0.525 2
1 1091 . 1 1 A 92 92 ARG HA H 92 5.022 4.635 0.387 2
1 1092 . 1 1 A 92 92 ARG CB C 92 32.816 31.990 0.826 2
1 1101 . 1 1 A 92 92 ARG C C 92 174.072 174.994 -0.922 2
1 1102 . 1 1 A 93 93 ASP N N 93 119.716 121.997 -2.281 2
1 1103 . 1 1 A 93 93 ASP H H 93 8.550 8.656 -0.106 2
1 1104 . 1 1 A 93 93 ASP CA C 93 53.411 53.536 -0.125 2
1 1105 . 1 1 A 93 93 ASP HA H 93 5.108 4.976 0.132 2
1 1106 . 1 1 A 93 93 ASP CB C 93 46.005 42.388 3.617 2
1 1109 . 1 1 A 93 93 ASP C C 93 174.776 175.062 -0.286 2
1 1110 . 1 1 A 94 94 THR N N 94 116.481 118.703 -2.222 2
1 1111 . 1 1 A 94 94 THR H H 94 8.932 8.450 0.482 2
1 1112 . 1 1 A 94 94 THR CA C 94 62.287 61.485 0.802 2
1 1113 . 1 1 A 94 94 THR HA H 94 5.232 4.826 0.406 2
1 1114 . 1 1 A 94 94 THR CB C 94 70.008 70.069 -0.061 2
1 1120 . 1 1 A 94 94 THR C C 94 171.982 173.503 -1.521 2
1 1121 . 1 1 A 95 95 PHE N N 95 124.488 126.649 -2.161 2
1 1122 . 1 1 A 95 95 PHE H H 95 9.347 9.037 0.310 2
1 1123 . 1 1 A 95 95 PHE CA C 95 55.834 56.648 -0.814 2
1 1124 . 1 1 A 95 95 PHE HA H 95 5.321 5.248 0.073 2
1 1125 . 1 1 A 95 95 PHE CB C 95 43.478 41.745 1.733 2
1 1138 . 1 1 A 95 95 PHE C C 95 174.780 174.809 -0.029 2
1 1139 . 1 1 A 96 96 SER N N 96 117.417 116.729 0.688 2
1 1140 . 1 1 A 96 96 SER H H 96 10.108 9.087 1.021 2
1 1141 . 1 1 A 96 96 SER CA C 96 56.388 56.250 0.138 2
1 1142 . 1 1 A 96 96 SER HA H 96 5.575 5.460 0.115 2
1 1143 . 1 1 A 96 96 SER CB C 96 67.188 66.111 1.077 2
1 1146 . 1 1 A 96 96 SER C C 96 173.079 173.282 -0.203 2
1 1147 . 1 1 A 97 97 PHE N N 97 114.813 118.478 -3.665 2
1 1148 . 1 1 A 97 97 PHE H H 97 7.991 8.547 -0.556 2
1 1149 . 1 1 A 97 97 PHE CA C 97 56.003 55.609 0.394 2
1 1150 . 1 1 A 97 97 PHE HA H 97 5.249 5.489 -0.240 2
1 1151 . 1 1 A 97 97 PHE CB C 97 42.008 42.404 -0.396 2
1 1164 . 1 1 A 97 97 PHE C C 97 174.316 172.885 1.431 2
1 1165 . 1 1 A 98 98 ASP N N 98 121.809 119.585 2.224 2
1 1166 . 1 1 A 98 98 ASP H H 98 8.297 9.011 -0.714 2
1 1167 . 1 1 A 98 98 ASP CA C 98 54.789 52.863 1.926 2
1 1168 . 1 1 A 98 98 ASP HA H 98 5.006 5.450 -0.444 2
1 1169 . 1 1 A 98 98 ASP CB C 98 42.282 42.401 -0.119 2
1 1172 . 1 1 A 98 98 ASP C C 98 174.959 174.471 0.488 2
1 1173 . 1 1 A 99 99 ILE N N 99 126.714 126.004 0.710 2
1 1174 . 1 1 A 99 99 ILE H H 99 9.331 8.841 0.490 2
1 1175 . 1 1 A 99 99 ILE CA C 99 60.455 60.081 0.374 2
1 1176 . 1 1 A 99 99 ILE HA H 99 4.016 4.497 -0.481 2
1 1177 . 1 1 A 99 99 ILE CB C 99 42.110 39.867 2.243 2
1 1190 . 1 1 A 99 99 ILE C C 99 175.019 175.176 -0.157 2
1 1191 . 1 1 A 100 100 SER N N 100 122.590 121.455 1.135 2
1 1192 . 1 1 A 100 100 SER H H 100 8.345 8.645 -0.300 2
1 1193 . 1 1 A 100 100 SER CA C 100 58.848 56.821 2.027 2
1 1194 . 1 1 A 100 100 SER HA H 100 4.527 5.051 -0.524 2
1 1195 . 1 1 A 100 100 SER CB C 100 63.482 64.189 -0.707 2
1 1198 . 1 1 A 100 100 SER C C 100 173.557 174.214 -0.657 2
1 1199 . 1 1 A 101 101 LEU N N 101 124.776 126.399 -1.623 2
1 1200 . 1 1 A 101 101 LEU H H 101 8.277 8.663 -0.386 2
1 1201 . 1 1 A 101 101 LEU CA C 101 52.430 53.562 -1.132 2
1 1202 . 1 1 A 101 101 LEU HA H 101 4.375 4.464 -0.089 2
1 1203 . 1 1 A 101 101 LEU CB C 101 40.427 41.156 -0.729 2
1 1216 . 1 1 A 101 101 LEU C C 101 174.363 174.675 -0.312 2
1 1217 . 1 1 A 102 102 PRO CA C 102 62.488 62.200 0.288 2
1 1218 . 1 1 A 102 102 PRO HA H 102 4.259 4.346 -0.087 2
1 1219 . 1 1 A 102 102 PRO CB C 102 32.073 32.506 -0.433 2
1 1228 . 1 1 A 102 102 PRO C C 102 175.687 177.594 -1.907 2
1 1229 . 1 1 A 103 103 GLU N N 103 118.843 120.808 -1.965 2
1 1230 . 1 1 A 103 103 GLU H H 103 8.286 8.601 -0.315 2
1 1231 . 1 1 A 103 103 GLU CA C 103 58.131 59.011 -0.880 2
1 1232 . 1 1 A 103 103 GLU HA H 103 4.013 4.087 -0.074 2
1 1233 . 1 1 A 103 103 GLU CB C 103 30.344 29.227 1.117 2
1 1239 . 1 1 A 103 103 GLU C C 103 176.869 176.119 0.750 2
1 1240 . 1 1 A 104 104 LYS N N 104 116.544 117.194 -0.650 2
1 1241 . 1 1 A 104 104 LYS H H 104 7.869 7.622 0.247 2
1 1242 . 1 1 A 104 104 LYS CA C 104 55.314 55.117 0.197 2
1 1243 . 1 1 A 104 104 LYS HA H 104 4.474 4.914 -0.440 2
1 1244 . 1 1 A 104 104 LYS CB C 104 33.428 36.544 -3.116 2
1 1256 . 1 1 A 104 104 LYS C C 104 175.231 174.683 0.548 2
1 1257 . 1 1 A 105 105 ILE N N 105 122.507 121.004 1.503 2
1 1258 . 1 1 A 105 105 ILE H H 105 8.236 8.675 -0.439 2
1 1259 . 1 1 A 105 105 ILE CA C 105 60.636 60.582 0.054 2
1 1260 . 1 1 A 105 105 ILE HA H 105 4.190 4.910 -0.720 2
1 1261 . 1 1 A 105 105 ILE CB C 105 39.685 41.409 -1.724 2
1 1274 . 1 1 A 105 105 ILE C C 105 176.091 175.020 1.071 2
1 1275 . 1 1 A 106 106 GLN N N 106 124.467 126.287 -1.820 2
1 1276 . 1 1 A 106 106 GLN H H 106 8.752 8.902 -0.150 2
1 1277 . 1 1 A 106 106 GLN CA C 106 56.244 54.696 1.548 2
1 1278 . 1 1 A 106 106 GLN HA H 106 4.243 4.776 -0.533 2
1 1279 . 1 1 A 106 106 GLN CB C 106 28.717 30.680 -1.963 2
1 1288 . 1 1 A 106 106 GLN C C 106 177.593 175.936 1.657 2
1 1289 . 1 1 A 107 107 SER N N 107 116.963 115.779 1.184 2
1 1290 . 1 1 A 107 107 SER H H 107 8.623 8.643 -0.020 2
1 1291 . 1 1 A 107 107 SER CA C 107 60.530 59.789 0.741 2
1 1292 . 1 1 A 107 107 SER HA H 107 4.152 4.314 -0.162 2
1 1293 . 1 1 A 107 107 SER CB C 107 63.187 62.230 0.957 2
1 1296 . 1 1 A 107 107 SER C C 107 174.222 175.185 -0.963 2
1 1297 . 1 1 A 108 108 TYR N N 108 116.323 119.526 -3.203 2
1 1298 . 1 1 A 108 108 TYR H H 108 7.330 8.142 -0.812 2
1 1299 . 1 1 A 108 108 TYR CA C 108 56.727 58.637 -1.910 2
1 1300 . 1 1 A 108 108 TYR HA H 108 4.655 4.595 0.060 2
1 1301 . 1 1 A 108 108 TYR CB C 108 37.491 39.141 -1.650 2
1 1312 . 1 1 A 108 108 TYR C C 108 175.768 175.378 0.390 2
1 1313 . 1 1 A 109 109 GLU N N 109 120.523 118.691 1.832 2
1 1314 . 1 1 A 109 109 GLU H H 109 7.587 7.476 0.111 2
1 1315 . 1 1 A 109 109 GLU CA C 109 55.573 54.899 0.674 2
1 1316 . 1 1 A 109 109 GLU HA H 109 4.582 4.580 0.002 2
1 1317 . 1 1 A 109 109 GLU CB C 109 31.360 31.847 -0.487 2
1 1323 . 1 1 A 109 109 GLU C C 109 176.013 174.861 1.152 2
1 1324 . 1 1 A 110 110 ARG N N 110 118.559 123.642 -5.083 2
1 1325 . 1 1 A 110 110 ARG H H 110 8.441 8.406 0.035 2
1 1326 . 1 1 A 110 110 ARG CA C 110 55.667 56.088 -0.421 2
1 1327 . 1 1 A 110 110 ARG HA H 110 4.786 4.576 0.210 2
1 1328 . 1 1 A 110 110 ARG CB C 110 32.404 31.574 0.830 2
1 1339 . 1 1 A 110 110 ARG C C 110 174.387 174.581 -0.194 2
1 1340 . 1 1 A 111 111 MET N N 111 122.471 124.258 -1.787 2
1 1341 . 1 1 A 111 111 MET H H 111 8.665 8.732 -0.068 2
1 1342 . 1 1 A 111 111 MET CA C 111 54.151 54.187 -0.036 2
1 1343 . 1 1 A 111 111 MET HA H 111 5.167 4.960 0.207 2
1 1344 . 1 1 A 111 111 MET CB C 111 35.735 35.248 0.487 2
1 1354 . 1 1 A 111 111 MET C C 111 174.924 174.471 0.453 2
1 1355 . 1 1 A 112 112 GLU N N 112 119.500 125.241 -5.741 2
1 1356 . 1 1 A 112 112 GLU H H 112 7.951 8.360 -0.409 2
1 1357 . 1 1 A 112 112 GLU CA C 112 53.909 54.741 -0.832 2
1 1358 . 1 1 A 112 112 GLU HA H 112 5.662 5.100 0.562 2
1 1359 . 1 1 A 112 112 GLU CB C 112 35.198 34.474 0.724 2
1 1365 . 1 1 A 112 112 GLU C C 112 174.483 174.884 -0.401 2
1 1366 . 1 1 A 113 113 PHE N N 113 115.033 117.736 -2.703 2
1 1367 . 1 1 A 113 113 PHE H H 113 9.278 8.828 0.450 2
1 1368 . 1 1 A 113 113 PHE CA C 113 55.857 56.147 -0.290 2
1 1369 . 1 1 A 113 113 PHE HA H 113 6.262 5.531 0.731 2
1 1370 . 1 1 A 113 113 PHE CB C 113 43.656 42.409 1.247 2
1 1383 . 1 1 A 113 113 PHE C C 113 172.253 172.740 -0.487 2
1 1384 . 1 1 A 114 114 ALA N N 114 121.461 122.257 -0.796 2
1 1385 . 1 1 A 114 114 ALA H H 114 9.475 9.001 0.474 2
1 1386 . 1 1 A 114 114 ALA CA C 114 50.860 50.737 0.123 2
1 1387 . 1 1 A 114 114 ALA HA H 114 5.026 5.374 -0.348 2
1 1388 . 1 1 A 114 114 ALA CB C 114 23.129 23.107 0.022 2
1 1392 . 1 1 A 114 114 ALA C C 114 174.903 176.400 -1.497 2
1 1393 . 1 1 A 115 115 VAL N N 115 120.899 121.633 -0.734 2
1 1394 . 1 1 A 115 115 VAL H H 115 8.928 8.678 0.250 2
1 1395 . 1 1 A 115 115 VAL CA C 115 61.379 62.620 -1.241 2
1 1396 . 1 1 A 115 115 VAL HA H 115 4.798 4.502 0.296 2
1 1397 . 1 1 A 115 115 VAL CB C 115 34.712 32.499 2.213 2
1 1407 . 1 1 A 115 115 VAL C C 115 174.444 174.665 -0.221 2
1 1408 . 1 1 A 116 116 TYR N N 116 123.426 127.905 -4.479 2
1 1409 . 1 1 A 116 116 TYR H H 116 8.963 8.469 0.494 2
1 1410 . 1 1 A 116 116 TYR CA C 116 55.480 54.509 0.971 2
1 1411 . 1 1 A 116 116 TYR HA H 116 5.081 4.712 0.369 2
1 1412 . 1 1 A 116 116 TYR CB C 116 38.928 39.900 -0.972 2
1 1423 . 1 1 A 116 116 TYR C C 116 172.208 172.989 -0.781 2
1 1424 . 1 1 A 117 117 TYR N N 117 123.249 130.112 -6.863 2
1 1425 . 1 1 A 117 117 TYR H H 117 8.858 8.777 0.081 2
1 1426 . 1 1 A 117 117 TYR CA C 117 52.371 56.488 -4.117 2
1 1427 . 1 1 A 117 117 TYR HA H 117 5.528 4.780 0.748 2
1 1428 . 1 1 A 117 117 TYR CB C 117 41.509 40.569 0.940 2
1 1439 . 1 1 A 117 117 TYR C C 117 173.159 173.544 -0.385 2
1 1440 . 1 1 A 118 118 GLU N N 118 127.681 127.534 0.147 2
1 1441 . 1 1 A 118 118 GLU H H 118 9.368 8.529 0.839 2
1 1442 . 1 1 A 118 118 GLU CA C 118 54.179 55.061 -0.882 2
1 1443 . 1 1 A 118 118 GLU HA H 118 5.085 4.815 0.270 2
1 1444 . 1 1 A 118 118 GLU CB C 118 32.099 31.593 0.506 2
1 1450 . 1 1 A 118 118 GLU C C 118 175.565 174.809 0.756 2
1 1451 . 1 1 A 119 119 CYS N N 119 122.152 123.237 -1.085 2
1 1452 . 1 1 A 119 119 CYS H H 119 8.323 8.034 0.289 2
1 1453 . 1 1 A 119 119 CYS CA C 119 58.248 58.204 0.044 2
1 1454 . 1 1 A 119 119 CYS HA H 119 4.479 4.538 -0.059 2
1 1455 . 1 1 A 119 119 CYS CB C 119 29.065 30.459 -1.394 2
1 1458 . 1 1 A 119 119 CYS C C 119 174.586 173.114 1.472 2
1 1459 . 1 1 A 120 120 ASN N N 120 126.917 122.631 4.286 2
1 1460 . 1 1 A 120 120 ASN H H 120 9.858 9.206 0.652 2
1 1461 . 1 1 A 120 120 ASN CA C 120 53.735 54.431 -0.696 2
1 1462 . 1 1 A 120 120 ASN HA H 120 4.342 4.393 -0.051 2
1 1463 . 1 1 A 120 120 ASN CB C 120 37.873 37.376 0.497 2
1 1469 . 1 1 A 120 120 ASN C C 120 174.943 175.428 -0.485 2
1 1470 . 1 1 A 121 121 GLY N N 121 104.866 103.745 1.122 2
1 1471 . 1 1 A 121 121 GLY H H 121 8.776 8.573 0.203 2
1 1472 . 1 1 A 121 121 GLY CA C 121 45.586 46.377 -0.791 2
1 1473 . 1 1 A 121 121 GLY HA2 H 121 4.041 3.839 0.202 2
1 1474 . 1 1 A 121 121 GLY HA3 H 121 3.553 3.850 -0.297 2
1 1475 . 1 1 A 121 121 GLY C C 121 173.804 173.678 0.126 2
1 1476 . 1 1 A 122 122 GLN N N 122 119.988 118.511 1.477 2
1 1477 . 1 1 A 122 122 GLN H H 122 7.677 7.663 0.014 2
1 1478 . 1 1 A 122 122 GLN CA C 122 53.624 53.527 0.097 2
1 1479 . 1 1 A 122 122 GLN HA H 122 4.395 4.767 -0.372 2
1 1480 . 1 1 A 122 122 GLN CB C 122 31.456 32.407 -0.951 2
1 1489 . 1 1 A 122 122 GLN C C 122 174.029 174.166 -0.137 2
1 1490 . 1 1 A 123 123 THR N N 123 116.337 115.616 0.721 2
1 1491 . 1 1 A 123 123 THR H H 123 7.990 8.364 -0.374 2
1 1492 . 1 1 A 123 123 THR CA C 123 61.935 61.119 0.816 2
1 1493 . 1 1 A 123 123 THR HA H 123 4.620 4.756 -0.136 2
1 1494 . 1 1 A 123 123 THR CB C 123 70.005 70.910 -0.905 2
1 1500 . 1 1 A 123 123 THR C C 123 172.596 172.898 -0.302 2
1 1501 . 1 1 A 124 124 TYR N N 124 128.915 125.325 3.590 2
1 1502 . 1 1 A 124 124 TYR H H 124 9.416 8.738 0.678 2
1 1503 . 1 1 A 124 124 TYR CA C 124 56.388 56.337 0.051 2
1 1504 . 1 1 A 124 124 TYR HA H 124 4.962 5.276 -0.314 2
1 1505 . 1 1 A 124 124 TYR CB C 124 40.688 40.630 0.058 2
1 1516 . 1 1 A 124 124 TYR C C 124 174.284 174.743 -0.459 2
1 1517 . 1 1 A 125 125 TRP N N 125 119.850 123.556 -3.706 2
1 1518 . 1 1 A 125 125 TRP H H 125 8.738 9.158 -0.420 2
1 1519 . 1 1 A 125 125 TRP CA C 125 56.940 55.527 1.413 2
1 1520 . 1 1 A 125 125 TRP HA H 125 5.388 5.531 -0.143 2
1 1521 . 1 1 A 125 125 TRP CB C 125 33.031 31.705 1.326 2
1 1536 . 1 1 A 125 125 TRP C C 125 176.973 174.768 2.205 2
1 1537 . 1 1 A 126 126 ASP N N 126 118.759 126.113 -7.354 2
1 1538 . 1 1 A 126 126 ASP H H 126 9.436 8.969 0.467 2
1 1539 . 1 1 A 126 126 ASP CA C 126 53.968 52.790 1.178 2
1 1540 . 1 1 A 126 126 ASP HA H 126 5.213 5.221 -0.008 2
1 1541 . 1 1 A 126 126 ASP CB C 126 42.641 42.184 0.457 2
1 1544 . 1 1 A 126 126 ASP C C 126 176.043 174.560 1.483 2
1 1545 . 1 1 A 127 127 SER N N 127 119.074 120.149 -1.075 2
1 1546 . 1 1 A 127 127 SER H H 127 8.520 8.676 -0.156 2
1 1547 . 1 1 A 127 127 SER CA C 127 55.118 56.678 -1.560 2
1 1548 . 1 1 A 127 127 SER HA H 127 4.811 4.965 -0.154 2
1 1549 . 1 1 A 127 127 SER CB C 127 63.866 64.399 -0.533 2
1 1552 . 1 1 A 127 127 SER C C 127 175.840 173.698 2.142 2
1 1553 . 1 1 A 128 128 ASN N N 128 124.865 119.474 5.391 2
1 1554 . 1 1 A 128 128 ASN H H 128 9.242 8.295 0.947 2
1 1555 . 1 1 A 128 128 ASN CA C 128 53.224 53.516 -0.292 2
1 1556 . 1 1 A 128 128 ASN HA H 128 4.071 3.433 0.638 2
1 1557 . 1 1 A 128 128 ASN CB C 128 34.281 36.145 -1.863 2
1 1563 . 1 1 A 128 128 ASN C C 128 176.607 174.439 2.168 2
1 1564 . 1 1 A 129 129 ARG N N 129 114.718 113.863 0.855 2
1 1565 . 1 1 A 129 129 ARG H H 129 9.475 8.091 1.384 2
1 1566 . 1 1 A 129 129 ARG CA C 129 56.798 56.962 -0.164 2
1 1567 . 1 1 A 129 129 ARG HA H 129 3.774 3.874 -0.100 2
1 1568 . 1 1 A 129 129 ARG CB C 129 27.145 27.918 -0.773 2
1 1579 . 1 1 A 129 129 ARG C C 129 176.132 175.441 0.691 2
1 1580 . 1 1 A 130 130 GLY N N 130 106.337 106.488 -0.151 2
1 1581 . 1 1 A 130 130 GLY H H 130 7.568 7.823 -0.255 2
1 1582 . 1 1 A 130 130 GLY CA C 130 44.896 46.068 -1.172 2
1 1583 . 1 1 A 130 130 GLY HA2 H 130 4.103 4.036 0.067 2
1 1584 . 1 1 A 130 130 GLY HA3 H 130 3.425 4.053 -0.628 2
1 1585 . 1 1 A 130 130 GLY C C 130 174.521 174.021 0.500 2
1 1586 . 1 1 A 131 131 LYS N N 131 119.902 123.691 -3.789 2
1 1587 . 1 1 A 131 131 LYS H H 131 7.278 8.167 -0.889 2
1 1588 . 1 1 A 131 131 LYS CA C 131 57.336 57.720 -0.384 2
1 1589 . 1 1 A 131 131 LYS HA H 131 4.132 4.241 -0.109 2
1 1590 . 1 1 A 131 131 LYS CB C 131 33.719 33.105 0.614 2
1 1602 . 1 1 A 131 131 LYS C C 131 177.813 176.415 1.398 2
1 1603 . 1 1 A 132 132 ASN N N 132 107.489 112.614 -5.125 2
1 1604 . 1 1 A 132 132 ASN H H 132 8.268 7.663 0.605 2
1 1605 . 1 1 A 132 132 ASN CA C 132 54.717 52.203 2.514 2
1 1606 . 1 1 A 132 132 ASN HA H 132 3.691 4.840 -1.149 2
1 1607 . 1 1 A 132 132 ASN CB C 132 39.462 41.221 -1.759 2
1 1613 . 1 1 A 132 132 ASN C C 132 172.611 172.924 -0.313 2
1 1614 . 1 1 A 133 133 TYR N N 133 120.541 120.288 0.253 2
1 1615 . 1 1 A 133 133 TYR H H 133 8.696 8.384 0.312 2
1 1616 . 1 1 A 133 133 TYR CA C 133 58.334 57.735 0.599 2
1 1617 . 1 1 A 133 133 TYR HA H 133 3.879 4.309 -0.430 2
1 1618 . 1 1 A 133 133 TYR CB C 133 35.955 37.066 -1.111 2
1 1627 . 1 1 A 133 133 TYR C C 133 175.026 175.272 -0.246 2
1 1628 . 1 1 A 134 134 ARG N N 134 123.205 125.330 -2.125 2
1 1629 . 1 1 A 134 134 ARG H H 134 8.584 8.611 -0.027 2
1 1630 . 1 1 A 134 134 ARG CA C 134 56.025 56.346 -0.321 2
1 1631 . 1 1 A 134 134 ARG HA H 134 5.043 4.701 0.342 2
1 1632 . 1 1 A 134 134 ARG CB C 134 32.734 30.857 1.877 2
1 1643 . 1 1 A 134 134 ARG C C 134 174.511 175.381 -0.870 2
1 1644 . 1 1 A 135 135 ILE N N 135 124.430 127.704 -3.274 2
1 1645 . 1 1 A 135 135 ILE H H 135 8.429 8.624 -0.195 2
1 1646 . 1 1 A 135 135 ILE CA C 135 61.078 60.279 0.799 2
1 1647 . 1 1 A 135 135 ILE HA H 135 4.797 4.807 -0.010 2
1 1648 . 1 1 A 135 135 ILE CB C 135 39.875 38.821 1.054 2
1 1661 . 1 1 A 135 135 ILE C C 135 175.279 175.994 -0.715 2
1 1662 . 1 1 A 136 136 ILE N N 136 120.496 123.582 -3.086 2
1 1663 . 1 1 A 136 136 ILE H H 136 9.000 8.807 0.193 2
1 1664 . 1 1 A 136 136 ILE CA C 136 59.359 59.187 0.172 2
1 1665 . 1 1 A 136 136 ILE HA H 136 5.028 5.093 -0.065 2
1 1666 . 1 1 A 136 136 ILE CB C 136 42.170 40.714 1.456 2
1 1679 . 1 1 A 136 136 ILE C C 136 175.144 175.428 -0.284 2
1 1680 . 1 1 A 137 137 ARG N N 137 122.183 123.885 -1.702 2
1 1681 . 1 1 A 137 137 ARG H H 137 8.535 8.499 0.036 2
1 1682 . 1 1 A 137 137 ARG CA C 137 56.339 55.519 0.820 2
1 1683 . 1 1 A 137 137 ARG HA H 137 4.402 4.179 0.223 2
1 1684 . 1 1 A 137 137 ARG CB C 137 30.696 31.275 -0.579 2
1 1695 . 1 1 A 137 137 ARG C C 137 176.646 177.408 -0.762 2
1 1696 . 1 1 A 138 138 ALA N N 138 126.694 126.946 -0.252 2
1 1697 . 1 1 A 138 138 ALA H H 138 8.353 8.541 -0.188 2
1 1698 . 1 1 A 138 138 ALA CA C 138 52.808 54.751 -1.943 2
1 1699 . 1 1 A 138 138 ALA HA H 138 4.134 3.980 0.154 2
1 1700 . 1 1 A 138 138 ALA CB C 138 19.536 18.192 1.343 2
1 1704 . 1 1 A 138 138 ALA C C 138 177.637 179.574 -1.937 2
1 1705 . 1 1 A 139 139 GLU N N 139 119.890 115.939 3.951 2
1 1706 . 1 1 A 139 139 GLU H H 139 8.615 8.212 0.403 2
1 1707 . 1 1 A 139 139 GLU CA C 139 56.586 58.895 -2.309 2
1 1708 . 1 1 A 139 139 GLU HA H 139 4.268 4.091 0.177 2
1 1709 . 1 1 A 139 139 GLU CB C 139 30.137 28.910 1.227 2
1 1715 . 1 1 A 139 139 GLU C C 139 176.488 178.112 -1.624 2
1 1716 . 1 1 A 140 140 LEU N N 140 123.350 119.826 3.524 2
1 1717 . 1 1 A 140 140 LEU H H 140 8.224 7.785 0.439 2
1 1718 . 1 1 A 140 140 LEU CA C 140 55.185 56.422 -1.237 2
1 1719 . 1 1 A 140 140 LEU HA H 140 4.339 4.290 0.049 2
1 1720 . 1 1 A 140 140 LEU CB C 140 42.294 42.477 -0.183 2
1 1733 . 1 1 A 140 140 LEU C C 140 177.456 177.261 0.195 2
1 1734 . 1 1 A 141 141 LYS N N 141 122.155 120.936 1.219 2
1 1735 . 1 1 A 141 141 LYS H H 141 8.239 7.687 0.552 2
1 1736 . 1 1 A 141 141 LYS CA C 141 56.480 56.594 -0.114 2
1 1737 . 1 1 A 141 141 LYS HA H 141 4.309 4.333 -0.024 2
1 1738 . 1 1 A 141 141 LYS CB C 141 32.976 33.699 -0.723 2
1 1750 . 1 1 A 141 141 LYS C C 141 176.734 175.280 1.454 2
1 1751 . 1 1 A 142 142 SER N N 142 116.816 121.355 -4.538 2
1 1752 . 1 1 A 142 142 SER H H 142 8.369 8.650 -0.281 2
1 1753 . 1 1 A 142 142 SER CA C 142 58.425 57.372 1.053 2
1 1754 . 1 1 A 142 142 SER HA H 142 4.529 4.906 -0.377 2
1 1755 . 1 1 A 142 142 SER CB C 142 63.836 65.247 -1.411 2
1 1758 . 1 1 A 142 142 SER C C 142 175.185 173.332 1.853 2
1 1759 . 1 1 A 143 143 THR N N 143 115.566 118.058 -2.492 2
1 1760 . 1 1 A 143 143 THR H H 143 8.235 8.603 -0.368 2
1 1761 . 1 1 A 143 143 THR CA C 143 61.999 62.023 -0.024 2
1 1762 . 1 1 A 143 143 THR HA H 143 4.389 4.559 -0.170 2
1 1763 . 1 1 A 143 143 THR CB C 143 69.634 69.770 -0.136 2
1 1769 . 1 1 A 143 143 THR C C 143 174.937 173.792 1.145 2
1 1770 . 1 1 A 144 144 GLN N N 144 122.469 124.740 -2.271 2
1 1771 . 1 1 A 144 144 GLN H H 144 8.345 8.685 -0.340 2
1 1772 . 1 1 A 144 144 GLN CA C 144 56.480 55.407 1.073 2
1 1773 . 1 1 A 144 144 GLN HA H 144 4.307 4.680 -0.373 2
1 1774 . 1 1 A 144 144 GLN CB C 144 29.307 31.190 -1.883 2
1 1783 . 1 1 A 144 144 GLN C C 144 176.536 175.433 1.103 2
1 1784 . 1 1 A 145 145 GLY N N 145 110.021 109.502 0.519 2
1 1785 . 1 1 A 145 145 GLY H H 145 8.461 8.343 0.118 2
1 1786 . 1 1 A 145 145 GLY CA C 145 45.355 45.287 0.068 2
1 1787 . 1 1 A 145 145 GLY HA2 H 145 3.967 4.106 -0.139 2
1 1788 . 1 1 A 145 145 GLY HA3 H 145 3.967 4.108 -0.141 2
1 1789 . 1 1 A 145 145 GLY C C 145 174.123 173.208 0.915 2
1 1790 . 1 1 A 146 146 MET N N 146 119.836 120.556 -0.720 2
1 1791 . 1 1 A 146 146 MET H H 146 8.197 8.461 -0.264 2
1 1792 . 1 1 A 146 146 MET CA C 146 55.594 54.941 0.653 2
1 1793 . 1 1 A 146 146 MET HA H 146 4.538 4.795 -0.257 2
1 1794 . 1 1 A 146 146 MET CB C 146 33.090 34.102 -1.012 2
1 1804 . 1 1 A 146 146 MET C C 146 176.454 175.159 1.295 2
1 1805 . 1 1 A 147 147 THR N N 147 116.248 116.206 0.042 2
1 1806 . 1 1 A 147 147 THR H H 147 8.239 8.420 -0.181 2
1 1807 . 1 1 A 147 147 THR CA C 147 61.959 61.973 -0.014 2
1 1808 . 1 1 A 147 147 THR HA H 147 4.318 4.578 -0.260 2
1 1809 . 1 1 A 147 147 THR CB C 147 69.875 70.373 -0.498 2
1 1815 . 1 1 A 147 147 THR C C 147 174.141 173.611 0.530 2
1 1816 . 1 1 A 148 148 LYS N N 148 125.399 124.706 0.693 2
1 1817 . 1 1 A 148 148 LYS H H 148 8.387 8.479 -0.092 2
1 1818 . 1 1 A 148 148 LYS CA C 148 54.186 53.756 0.430 2
1 1819 . 1 1 A 148 148 LYS HA H 148 4.617 4.724 -0.107 2
1 1820 . 1 1 A 148 148 LYS CB C 148 32.651 34.490 -1.839 2
1 1832 . 1 1 A 148 148 LYS C C 148 174.388 174.786 -0.398 2
1 1833 . 1 1 A 149 149 PRO CA C 149 63.178 62.986 0.192 2
1 1834 . 1 1 A 149 149 PRO HA H 149 4.406 4.618 -0.212 2
1 1835 . 1 1 A 149 149 PRO CB C 149 32.164 32.109 0.055 2
1 1844 . 1 1 A 150 150 HIS CA C 150 56.264 55.570 0.694 2
1 1845 . 1 1 A 150 150 HIS HA H 150 4.626 4.807 -0.181 2
1 1846 . 1 1 A 150 150 HIS CB C 150 30.574 31.169 -0.595 2
1 1852 . 1 1 A 151 151 SER CA C 151 58.018 58.036 -0.018 2
1 1853 . 1 1 A 151 151 SER HA H 151 4.475 4.704 -0.229 2
1 1854 . 1 1 A 151 151 SER CB C 151 64.139 64.956 -0.817 2
1 1856 . 1 1 A 151 151 SER C C 151 174.253 173.841 0.412 2
1 1857 . 1 1 A 152 152 GLY N N 152 110.964 109.885 1.079 2
1 1858 . 1 1 A 152 152 GLY H H 152 8.276 8.350 -0.074 2
1 1859 . 1 1 A 152 152 GLY CA C 152 44.637 44.694 -0.057 2
1 1860 . 1 1 A 152 152 GLY HA2 H 152 4.120 4.180 -0.060 2
1 1861 . 1 1 A 152 152 GLY HA3 H 152 4.120 4.202 -0.082 2
1 1862 . 1 1 A 152 152 GLY C C 152 171.668 172.706 -1.038 2
1 1863 . 1 1 A 153 153 PRO CA C 153 63.147 62.839 0.308 2
1 1864 . 1 1 A 153 153 PRO HA H 153 4.425 4.568 -0.143 2
1 1865 . 1 1 A 153 153 PRO CB C 153 32.149 32.488 -0.339 2
1 1874 . 1 1 A 153 153 PRO C C 153 176.656 176.090 0.566 2
1 1875 . 1 1 A 154 154 ASP N N 154 120.420 119.869 0.551 2
1 1876 . 1 1 A 154 154 ASP H H 154 8.463 8.533 -0.070 2
1 1877 . 1 1 A 154 154 ASP CA C 154 54.429 53.832 0.597 2
1 1878 . 1 1 A 154 154 ASP HA H 154 4.575 4.812 -0.237 2
1 1879 . 1 1 A 154 154 ASP CB C 154 40.979 42.060 -1.081 2
1 1882 . 1 1 A 154 154 ASP C C 154 176.163 175.888 0.275 2
1 1883 . 1 1 A 155 155 LEU N N 155 123.563 121.176 2.387 2
1 1884 . 1 1 A 155 155 LEU H H 155 8.266 8.329 -0.063 2
1 1885 . 1 1 A 155 155 LEU CA C 155 55.022 55.803 -0.781 2
1 1886 . 1 1 A 155 155 LEU HA H 155 4.358 4.185 0.173 2
1 1887 . 1 1 A 155 155 LEU CB C 155 42.157 42.269 -0.112 2
1 1900 . 1 1 A 155 155 LEU C C 155 176.990 177.238 -0.248 2
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