data_10215_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10215
_Entry.PDB_ID 2ZAJ
_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 5 5 SER CA C 5 60.635 56.578 4.057 1
1 2 . 1 1 1 A 5 5 SER HA H 5 4.585 5.502 -0.917 1
1 3 . 1 1 1 A 5 5 SER CB C 5 66.298 66.623 -0.325 1
1 6 . 1 1 1 A 5 5 SER C C 5 177.168 172.621 4.547 1
1 7 . 1 1 1 A 6 6 SER N N 6 118.338 117.674 0.664 1
1 8 . 1 1 1 A 6 6 SER H H 6 8.569 8.622 -0.053 1
1 9 . 1 1 1 A 6 6 SER CA C 6 60.885 57.257 3.628 1
1 10 . 1 1 1 A 6 6 SER HA H 6 4.535 4.950 -0.415 1
1 11 . 1 1 1 A 6 6 SER CB C 6 66.148 66.923 -0.775 1
1 14 . 1 1 1 A 6 6 SER C C 6 177.326 173.945 3.381 1
1 15 . 1 1 1 A 7 7 GLY N N 7 111.002 112.399 -1.397 1
1 16 . 1 1 1 A 7 7 GLY H H 7 8.476 8.728 -0.252 1
1 17 . 1 1 1 A 7 7 GLY CA C 7 47.617 46.989 0.628 1
1 18 . 1 1 1 A 7 7 GLY HA2 H 7 4.019 3.891 0.128 1
1 19 . 1 1 1 A 7 7 GLY HA3 H 7 4.019 3.905 0.114 1
1 20 . 1 1 1 A 7 7 GLY C C 7 176.492 175.142 1.350 1
1 21 . 1 1 1 A 8 8 LEU N N 8 121.799 117.275 4.524 1
1 22 . 1 1 1 A 8 8 LEU H H 8 8.193 7.998 0.195 1
1 23 . 1 1 1 A 8 8 LEU CA C 8 57.462 56.733 0.729 1
1 24 . 1 1 1 A 8 8 LEU HA H 8 4.394 4.156 0.238 1
1 25 . 1 1 1 A 8 8 LEU CB C 8 44.690 42.822 1.868 1
1 37 . 1 1 1 A 8 8 LEU C C 8 179.755 176.775 2.980 1
1 38 . 1 1 1 A 9 9 ASP N N 9 121.308 117.558 3.750 1
1 39 . 1 1 1 A 9 9 ASP H H 9 8.466 8.011 0.455 1
1 40 . 1 1 1 A 9 9 ASP CA C 9 56.935 52.753 4.182 1
1 41 . 1 1 1 A 9 9 ASP HA H 9 4.606 4.846 -0.240 1
1 42 . 1 1 1 A 9 9 ASP CB C 9 43.197 42.157 1.040 1
1 45 . 1 1 1 A 9 9 ASP C C 9 178.791 175.274 3.517 1
1 46 . 1 1 1 A 10 10 SER N N 10 115.813 119.675 -3.862 1
1 47 . 1 1 1 A 10 10 SER H H 10 8.187 8.968 -0.781 1
1 48 . 1 1 1 A 10 10 SER CA C 10 60.991 57.246 3.745 1
1 49 . 1 1 1 A 10 10 SER HA H 10 4.407 4.750 -0.343 1
1 50 . 1 1 1 A 10 10 SER CB C 10 66.161 63.754 2.407 1
1 53 . 1 1 1 A 10 10 SER C C 10 176.964 174.838 2.126 1
1 54 . 1 1 1 A 11 11 GLU N N 11 122.677 115.892 6.785 1
1 55 . 1 1 1 A 11 11 GLU H H 11 8.443 8.489 -0.046 1
1 56 . 1 1 1 A 11 11 GLU CA C 11 58.754 55.945 2.809 1
1 57 . 1 1 1 A 11 11 GLU HA H 11 4.316 4.353 -0.037 1
1 58 . 1 1 1 A 11 11 GLU CB C 11 32.345 29.574 2.771 1
1 64 . 1 1 1 A 11 11 GLU C C 11 178.630 175.879 2.751 1
1 65 . 1 1 1 A 12 12 LEU N N 12 122.751 122.291 0.460 1
1 66 . 1 1 1 A 12 12 LEU H H 12 8.101 7.514 0.587 1
1 67 . 1 1 1 A 12 12 LEU CA C 12 57.200 53.236 3.964 1
1 68 . 1 1 1 A 12 12 LEU HA H 12 4.330 4.775 -0.445 1
1 69 . 1 1 1 A 12 12 LEU CB C 12 44.701 44.270 0.431 1
1 82 . 1 1 1 A 12 12 LEU C C 12 179.430 176.550 2.880 1
1 83 . 1 1 1 A 13 13 GLU N N 13 122.737 121.717 1.020 1
1 84 . 1 1 1 A 13 13 GLU H H 13 8.361 8.365 -0.004 1
1 85 . 1 1 1 A 13 13 GLU CA C 13 58.512 56.433 2.079 1
1 86 . 1 1 1 A 13 13 GLU HA H 13 4.272 4.370 -0.098 1
1 87 . 1 1 1 A 13 13 GLU CB C 13 32.697 30.968 1.729 1
1 93 . 1 1 1 A 13 13 GLU C C 13 178.439 176.605 1.834 1
1 94 . 1 1 1 A 14 14 LEU N N 14 124.926 122.232 2.694 1
1 95 . 1 1 1 A 14 14 LEU H H 14 8.476 8.410 0.066 1
1 96 . 1 1 1 A 14 14 LEU CA C 14 54.936 52.624 2.312 1
1 97 . 1 1 1 A 14 14 LEU HA H 14 4.513 4.554 -0.041 1
1 98 . 1 1 1 A 14 14 LEU CB C 14 44.202 41.034 3.168 1
1 111 . 1 1 1 A 14 14 LEU C C 14 176.898 174.601 2.297 1
1 112 . 1 1 1 A 15 15 PRO CA C 15 64.197 62.197 2.000 1
1 113 . 1 1 1 A 15 15 PRO HA H 15 4.505 4.573 -0.068 1
1 114 . 1 1 1 A 15 15 PRO CB C 15 33.625 32.808 0.817 1
1 123 . 1 1 1 A 15 15 PRO C C 15 178.217 176.354 1.863 1
1 124 . 1 1 1 A 16 16 ALA N N 16 123.785 124.529 -0.744 1
1 125 . 1 1 1 A 16 16 ALA H H 16 8.483 8.336 0.147 1
1 126 . 1 1 1 A 16 16 ALA CA C 16 55.949 53.663 2.286 1
1 127 . 1 1 1 A 16 16 ALA HA H 16 4.250 3.972 0.278 1
1 128 . 1 1 1 A 16 16 ALA CB C 16 20.671 18.838 1.833 1
1 132 . 1 1 1 A 16 16 ALA C C 16 180.993 178.324 2.669 1
1 133 . 1 1 1 A 17 17 GLY N N 17 110.361 110.036 0.325 1
1 134 . 1 1 1 A 17 17 GLY H H 17 8.826 8.974 -0.148 1
1 135 . 1 1 1 A 17 17 GLY CA C 17 47.644 45.341 2.303 1
1 136 . 1 1 1 A 17 17 GLY HA2 H 17 3.781 4.028 -0.247 1
1 137 . 1 1 1 A 17 17 GLY HA3 H 17 4.248 4.029 0.219 1
1 138 . 1 1 1 A 17 17 GLY C C 17 175.678 174.560 1.118 1
1 139 . 1 1 1 A 18 18 TRP N N 18 118.683 120.715 -2.032 1
1 140 . 1 1 1 A 18 18 TRP H H 18 7.771 7.841 -0.070 1
1 141 . 1 1 1 A 18 18 TRP CA C 18 59.186 57.959 1.227 1
1 142 . 1 1 1 A 18 18 TRP HA H 18 5.710 4.683 1.027 1
1 143 . 1 1 1 A 18 18 TRP CB C 18 34.117 30.930 3.187 1
1 158 . 1 1 1 A 18 18 TRP C C 18 179.094 175.865 3.229 1
1 159 . 1 1 1 A 19 19 GLU N N 19 122.400 122.452 -0.052 1
1 160 . 1 1 1 A 19 19 GLU H H 19 9.431 8.561 0.870 1
1 161 . 1 1 1 A 19 19 GLU CA C 19 57.452 55.746 1.706 1
1 162 . 1 1 1 A 19 19 GLU HA H 19 4.668 4.738 -0.070 1
1 163 . 1 1 1 A 19 19 GLU CB C 19 36.636 32.625 4.011 1
1 169 . 1 1 1 A 19 19 GLU C C 19 176.242 175.166 1.076 1
1 170 . 1 1 1 A 20 20 LYS N N 20 126.826 123.589 3.237 1
1 171 . 1 1 1 A 20 20 LYS H H 20 8.839 8.347 0.492 1
1 172 . 1 1 1 A 20 20 LYS CA C 20 57.834 56.392 1.442 1
1 173 . 1 1 1 A 20 20 LYS HA H 20 4.396 4.330 0.066 1
1 174 . 1 1 1 A 20 20 LYS CB C 20 36.189 32.787 3.402 1
1 186 . 1 1 1 A 20 20 LYS C C 20 176.986 175.760 1.226 1
1 187 . 1 1 1 A 21 21 ILE N N 21 130.514 122.748 7.766 1
1 188 . 1 1 1 A 21 21 ILE H H 21 8.899 8.413 0.486 1
1 189 . 1 1 1 A 21 21 ILE CA C 21 61.347 59.738 1.609 1
1 190 . 1 1 1 A 21 21 ILE HA H 21 4.062 4.659 -0.597 1
1 191 . 1 1 1 A 21 21 ILE CB C 21 40.504 40.795 -0.291 1
1 204 . 1 1 1 A 21 21 ILE C C 21 176.050 174.710 1.340 1
1 205 . 1 1 1 A 22 22 GLU N N 22 124.786 127.078 -2.292 1
1 206 . 1 1 1 A 22 22 GLU H H 22 8.328 8.733 -0.405 1
1 207 . 1 1 1 A 22 22 GLU CA C 22 56.983 55.154 1.829 1
1 208 . 1 1 1 A 22 22 GLU HA H 22 4.439 5.075 -0.636 1
1 209 . 1 1 1 A 22 22 GLU CB C 22 32.206 30.986 1.220 1
1 215 . 1 1 1 A 22 22 GLU C C 22 176.960 174.945 2.015 1
1 216 . 1 1 1 A 23 23 ASP N N 23 128.273 124.506 3.767 1
1 217 . 1 1 1 A 23 23 ASP H H 23 8.412 8.890 -0.478 1
1 218 . 1 1 1 A 23 23 ASP CA C 23 53.796 50.840 2.956 1
1 219 . 1 1 1 A 23 23 ASP HA H 23 5.093 5.178 -0.085 1
1 220 . 1 1 1 A 23 23 ASP CB C 23 47.804 44.618 3.186 1
1 223 . 1 1 1 A 23 23 ASP C C 23 177.989 175.684 2.305 1
1 224 . 1 1 1 A 24 24 PRO CA C 24 66.947 64.137 2.810 1
1 225 . 1 1 1 A 24 24 PRO HA H 24 4.377 4.536 -0.159 1
1 226 . 1 1 1 A 24 24 PRO CB C 24 34.504 31.788 2.716 1
1 235 . 1 1 1 A 24 24 PRO C C 24 178.884 177.085 1.799 1
1 236 . 1 1 1 A 25 25 VAL N N 25 118.954 115.501 3.453 1
1 237 . 1 1 1 A 25 25 VAL H H 25 8.498 8.142 0.356 1
1 238 . 1 1 1 A 25 25 VAL CA C 25 66.276 63.798 2.478 1
1 239 . 1 1 1 A 25 25 VAL HA H 25 3.885 4.136 -0.251 1
1 240 . 1 1 1 A 25 25 VAL CB C 25 35.312 33.592 1.720 1
1 250 . 1 1 1 A 25 25 VAL C C 25 179.867 177.219 2.648 1
1 251 . 1 1 1 A 26 26 TYR N N 26 118.189 116.617 1.572 1
1 252 . 1 1 1 A 26 26 TYR H H 26 8.623 7.932 0.691 1
1 253 . 1 1 1 A 26 26 TYR CA C 26 61.321 58.321 3.000 1
1 254 . 1 1 1 A 26 26 TYR HA H 26 4.495 4.650 -0.155 1
1 255 . 1 1 1 A 26 26 TYR CB C 26 41.356 39.126 2.230 1
1 266 . 1 1 1 A 26 26 TYR C C 26 178.462 176.662 1.800 1
1 267 . 1 1 1 A 27 27 GLY N N 27 110.334 106.704 3.630 1
1 268 . 1 1 1 A 27 27 GLY H H 27 8.220 8.532 -0.312 1
1 269 . 1 1 1 A 27 27 GLY CA C 27 47.221 45.582 1.639 1
1 270 . 1 1 1 A 27 27 GLY HA2 H 27 3.910 4.196 -0.286 1
1 271 . 1 1 1 A 27 27 GLY HA3 H 27 4.389 4.248 0.141 1
1 272 . 1 1 1 A 27 27 GLY C C 27 175.432 173.708 1.724 1
1 273 . 1 1 1 A 28 28 ILE N N 28 121.398 122.712 -1.314 1
1 274 . 1 1 1 A 28 28 ILE H H 28 8.281 8.368 -0.087 1
1 275 . 1 1 1 A 28 28 ILE CA C 28 63.218 60.638 2.580 1
1 276 . 1 1 1 A 28 28 ILE HA H 28 4.885 5.026 -0.141 1
1 277 . 1 1 1 A 28 28 ILE CB C 28 40.979 38.873 2.106 1
1 290 . 1 1 1 A 28 28 ILE C C 28 179.002 174.529 4.473 1
1 291 . 1 1 1 A 29 29 TYR N N 29 124.797 123.908 0.889 1
1 292 . 1 1 1 A 29 29 TYR H H 29 8.812 8.531 0.281 1
1 293 . 1 1 1 A 29 29 TYR CA C 29 58.567 54.922 3.645 1
1 294 . 1 1 1 A 29 29 TYR HA H 29 4.691 4.755 -0.064 1
1 295 . 1 1 1 A 29 29 TYR CB C 29 41.239 41.608 -0.369 1
1 306 . 1 1 1 A 29 29 TYR C C 29 173.343 172.621 0.722 1
1 307 . 1 1 1 A 30 30 TYR N N 30 117.085 122.548 -5.463 1
1 308 . 1 1 1 A 30 30 TYR H H 30 8.925 8.356 0.569 1
1 309 . 1 1 1 A 30 30 TYR CA C 30 59.179 57.801 1.378 1
1 310 . 1 1 1 A 30 30 TYR HA H 30 5.431 4.946 0.485 1
1 311 . 1 1 1 A 30 30 TYR CB C 30 43.770 39.936 3.834 1
1 322 . 1 1 1 A 30 30 TYR C C 30 177.375 175.284 2.091 1
1 323 . 1 1 1 A 31 31 VAL N N 31 121.450 123.484 -2.034 1
1 324 . 1 1 1 A 31 31 VAL H H 31 9.204 9.290 -0.086 1
1 325 . 1 1 1 A 31 31 VAL CA C 31 62.688 61.258 1.430 1
1 326 . 1 1 1 A 31 31 VAL HA H 31 4.633 4.548 0.085 1
1 327 . 1 1 1 A 31 31 VAL CB C 31 37.509 32.882 4.627 1
1 337 . 1 1 1 A 31 31 VAL C C 31 175.631 173.687 1.944 1
1 338 . 1 1 1 A 32 32 ASP N N 32 126.397 128.073 -1.676 1
1 339 . 1 1 1 A 32 32 ASP H H 32 8.361 8.617 -0.256 1
1 340 . 1 1 1 A 32 32 ASP CA C 32 53.716 51.947 1.769 1
1 341 . 1 1 1 A 32 32 ASP HA H 32 3.844 4.417 -0.573 1
1 342 . 1 1 1 A 32 32 ASP CB C 32 41.631 39.944 1.687 1
1 345 . 1 1 1 A 32 32 ASP C C 32 179.908 176.513 3.395 1
1 346 . 1 1 1 A 33 33 HIS N N 33 122.272 122.476 -0.204 1
1 347 . 1 1 1 A 33 33 HIS H H 33 8.636 8.113 0.523 1
1 348 . 1 1 1 A 33 33 HIS CA C 33 60.587 57.655 2.932 1
1 349 . 1 1 1 A 33 33 HIS HA H 33 4.269 4.258 0.011 1
1 350 . 1 1 1 A 33 33 HIS CB C 33 33.066 28.916 4.150 1
1 357 . 1 1 1 A 33 33 HIS C C 33 178.929 176.966 1.963 1
1 358 . 1 1 1 A 34 34 ILE N N 34 120.451 120.620 -0.169 1
1 359 . 1 1 1 A 34 34 ILE H H 34 8.133 8.074 0.059 1
1 360 . 1 1 1 A 34 34 ILE CA C 34 65.440 63.976 1.464 1
1 361 . 1 1 1 A 34 34 ILE HA H 34 3.880 3.780 0.100 1
1 362 . 1 1 1 A 34 34 ILE CB C 34 39.306 37.769 1.537 1
1 375 . 1 1 1 A 34 34 ILE C C 34 179.561 177.920 1.641 1
1 376 . 1 1 1 A 35 35 ASN N N 35 116.293 117.418 -1.125 1
1 377 . 1 1 1 A 35 35 ASN H H 35 7.748 7.847 -0.099 1
1 378 . 1 1 1 A 35 35 ASN CA C 35 55.406 52.924 2.482 1
1 379 . 1 1 1 A 35 35 ASN HA H 35 4.623 4.732 -0.109 1
1 380 . 1 1 1 A 35 35 ASN CB C 35 41.081 38.763 2.318 1
1 386 . 1 1 1 A 35 35 ASN C C 35 176.331 174.454 1.877 1
1 387 . 1 1 1 A 36 36 ARG N N 36 118.342 116.323 2.019 1
1 388 . 1 1 1 A 36 36 ARG H H 36 7.691 7.746 -0.055 1
1 389 . 1 1 1 A 36 36 ARG CA C 36 58.927 56.994 1.933 1
1 390 . 1 1 1 A 36 36 ARG HA H 36 3.921 4.043 -0.122 1
1 391 . 1 1 1 A 36 36 ARG CB C 36 28.757 26.964 1.793 1
1 400 . 1 1 1 A 36 36 ARG C C 36 177.156 174.461 2.695 1
1 401 . 1 1 1 A 37 37 LYS N N 37 118.394 114.631 3.763 1
1 402 . 1 1 1 A 37 37 LYS H H 37 7.574 7.393 0.181 1
1 403 . 1 1 1 A 37 37 LYS CA C 37 56.975 54.362 2.613 1
1 404 . 1 1 1 A 37 37 LYS HA H 37 4.761 4.964 -0.203 1
1 405 . 1 1 1 A 37 37 LYS CB C 37 38.331 36.201 2.130 1
1 417 . 1 1 1 A 37 37 LYS C C 37 177.346 175.170 2.176 1
1 418 . 1 1 1 A 38 38 THR N N 38 114.847 112.640 2.207 1
1 419 . 1 1 1 A 38 38 THR H H 38 8.348 8.834 -0.486 1
1 420 . 1 1 1 A 38 38 THR CA C 38 63.013 60.740 2.273 1
1 421 . 1 1 1 A 38 38 THR HA H 38 5.369 5.665 -0.296 1
1 422 . 1 1 1 A 38 38 THR CB C 38 73.561 70.929 2.632 1
1 428 . 1 1 1 A 38 38 THR C C 38 176.244 173.947 2.297 1
1 429 . 1 1 1 A 39 39 GLN N N 39 118.695 123.943 -5.248 1
1 430 . 1 1 1 A 39 39 GLN H H 39 9.258 8.710 0.548 1
1 431 . 1 1 1 A 39 39 GLN CA C 39 57.417 54.555 2.862 1
1 432 . 1 1 1 A 39 39 GLN HA H 39 4.862 5.061 -0.199 1
1 433 . 1 1 1 A 39 39 GLN CB C 39 33.937 32.827 1.110 1
1 442 . 1 1 1 A 39 39 GLN C C 39 176.863 175.028 1.835 1
1 443 . 1 1 1 A 40 40 TYR N N 40 119.839 120.876 -1.037 1
1 444 . 1 1 1 A 40 40 TYR H H 40 8.969 9.108 -0.139 1
1 445 . 1 1 1 A 40 40 TYR CA C 40 62.528 59.883 2.645 1
1 446 . 1 1 1 A 40 40 TYR HA H 40 4.737 4.047 0.690 1
1 447 . 1 1 1 A 40 40 TYR CB C 40 41.283 38.535 2.748 1
1 458 . 1 1 1 A 40 40 TYR C C 40 178.553 176.139 2.414 1
1 459 . 1 1 1 A 41 41 GLU N N 41 119.641 118.602 1.039 1
1 460 . 1 1 1 A 41 41 GLU H H 41 8.136 8.117 0.019 1
1 461 . 1 1 1 A 41 41 GLU CA C 41 58.710 56.783 1.927 1
1 462 . 1 1 1 A 41 41 GLU HA H 41 4.357 4.452 -0.095 1
1 463 . 1 1 1 A 41 41 GLU CB C 41 32.272 30.728 1.544 1
1 469 . 1 1 1 A 41 41 GLU C C 41 177.835 175.676 2.159 1
1 470 . 1 1 1 A 42 42 ASN N N 42 123.220 120.824 2.396 1
1 471 . 1 1 1 A 42 42 ASN H H 42 8.597 8.698 -0.101 1
1 472 . 1 1 1 A 42 42 ASN CA C 42 53.458 49.784 3.674 1
1 473 . 1 1 1 A 42 42 ASN HA H 42 4.351 5.417 -1.066 1
1 474 . 1 1 1 A 42 42 ASN CB C 42 40.674 39.764 0.910 1
1 480 . 1 1 1 A 42 42 ASN C C 42 177.142 174.447 2.695 1
1 481 . 1 1 1 A 43 43 PRO CA C 43 65.366 63.431 1.935 1
1 482 . 1 1 1 A 43 43 PRO HA H 43 3.966 4.417 -0.451 1
1 483 . 1 1 1 A 43 43 PRO CB C 43 33.339 31.833 1.506 1
1 488 . 1 1 1 A 43 43 PRO C C 43 178.905 176.332 2.573 1
1 489 . 1 1 1 A 44 44 SER N N 44 116.274 112.865 3.409 1
1 490 . 1 1 1 A 44 44 SER H H 44 8.245 7.302 0.943 1
1 491 . 1 1 1 A 44 44 SER CA C 44 61.072 59.204 1.868 1
1 492 . 1 1 1 A 44 44 SER HA H 44 4.268 4.236 0.032 1
1 493 . 1 1 1 A 44 44 SER CB C 44 65.891 63.474 2.417 1
1 496 . 1 1 1 A 44 44 SER C C 44 176.440 174.127 2.313 1
1 497 . 1 1 1 A 45 45 GLY N N 45 109.785 108.425 1.360 1
1 498 . 1 1 1 A 45 45 GLY H H 45 7.793 8.602 -0.809 1
1 499 . 1 1 1 A 45 45 GLY CA C 45 46.773 44.135 2.638 1
1 500 . 1 1 1 A 45 45 GLY HA2 H 45 4.062 4.107 -0.045 1
1 501 . 1 1 1 A 45 45 GLY HA3 H 45 4.016 4.109 -0.093 1
1 502 . 1 1 1 A 45 45 GLY C C 45 173.701 172.872 0.829 1
1 503 . 1 1 1 A 46 46 PRO CA C 46 65.308 62.401 2.907 1
1 504 . 1 1 1 A 46 46 PRO HA H 46 4.479 4.732 -0.253 1
1 505 . 1 1 1 A 46 46 PRO CB C 46 34.414 29.639 4.775 1
1 514 . 1 1 1 A 46 46 PRO C C 46 179.687 175.736 3.951 1
1 515 . 1 1 1 A 47 47 SER N N 47 116.800 114.610 2.190 1
1 516 . 1 1 1 A 47 47 SER H H 47 8.557 8.124 0.433 1
1 517 . 1 1 1 A 47 47 SER CA C 47 60.610 57.390 3.220 1
1 518 . 1 1 1 A 47 47 SER HA H 47 4.503 5.274 -0.771 1
1 519 . 1 1 1 A 47 47 SER CB C 47 66.122 65.342 0.780 1
1 522 . 1 1 1 A 47 47 SER C C 47 177.035 173.252 3.783 1
1 523 . 1 1 1 A 48 48 SER N N 48 118.250 119.702 -1.452 1
1 524 . 1 1 1 A 48 48 SER H H 48 8.402 8.912 -0.510 1
1 525 . 1 1 1 A 48 48 SER CA C 48 60.804 57.121 3.683 1
1 526 . 1 1 1 A 48 48 SER HA H 48 4.529 5.165 -0.636 1
1 527 . 1 1 1 A 48 48 SER CB C 48 66.152 65.767 0.385 1
1 530 . 1 1 1 A 48 48 SER C C 48 176.272 174.264 2.008 1
1 1 . 2 1 1 A 5 5 SER CA C 5 60.635 56.117 4.518 1
1 2 . 2 1 1 A 5 5 SER HA H 5 4.585 5.007 -0.422 1
1 3 . 2 1 1 A 5 5 SER CB C 5 66.298 65.763 0.535 1
1 6 . 2 1 1 A 5 5 SER C C 5 177.168 173.892 3.276 1
1 7 . 2 1 1 A 6 6 SER N N 6 118.338 114.831 3.507 1
1 8 . 2 1 1 A 6 6 SER H H 6 8.569 8.613 -0.044 1
1 9 . 2 1 1 A 6 6 SER CA C 6 60.885 59.276 1.609 1
1 10 . 2 1 1 A 6 6 SER HA H 6 4.535 4.068 0.467 1
1 11 . 2 1 1 A 6 6 SER CB C 6 66.148 61.867 4.281 1
1 14 . 2 1 1 A 6 6 SER C C 6 177.326 173.837 3.489 1
1 15 . 2 1 1 A 7 7 GLY N N 7 111.002 106.552 4.450 1
1 16 . 2 1 1 A 7 7 GLY H H 7 8.476 8.180 0.296 1
1 17 . 2 1 1 A 7 7 GLY CA C 7 47.617 46.162 1.455 1
1 18 . 2 1 1 A 7 7 GLY HA2 H 7 4.019 4.059 -0.040 1
1 19 . 2 1 1 A 7 7 GLY HA3 H 7 4.019 4.062 -0.043 1
1 20 . 2 1 1 A 7 7 GLY C C 7 176.492 174.239 2.253 1
1 21 . 2 1 1 A 8 8 LEU N N 8 121.799 119.384 2.415 1
1 22 . 2 1 1 A 8 8 LEU H H 8 8.193 7.728 0.465 1
1 23 . 2 1 1 A 8 8 LEU CA C 8 57.462 54.411 3.051 1
1 24 . 2 1 1 A 8 8 LEU HA H 8 4.394 4.470 -0.076 1
1 25 . 2 1 1 A 8 8 LEU CB C 8 44.690 40.807 3.883 1
1 37 . 2 1 1 A 8 8 LEU C C 8 179.755 175.242 4.513 1
1 38 . 2 1 1 A 9 9 ASP N N 9 121.308 124.922 -3.614 1
1 39 . 2 1 1 A 9 9 ASP H H 9 8.466 8.848 -0.382 1
1 40 . 2 1 1 A 9 9 ASP CA C 9 56.935 52.634 4.301 1
1 41 . 2 1 1 A 9 9 ASP HA H 9 4.606 5.275 -0.669 1
1 42 . 2 1 1 A 9 9 ASP CB C 9 43.197 44.023 -0.826 1
1 45 . 2 1 1 A 9 9 ASP C C 9 178.791 175.772 3.019 1
1 46 . 2 1 1 A 10 10 SER N N 10 115.813 119.320 -3.507 1
1 47 . 2 1 1 A 10 10 SER H H 10 8.187 8.870 -0.683 1
1 48 . 2 1 1 A 10 10 SER CA C 10 60.991 57.455 3.536 1
1 49 . 2 1 1 A 10 10 SER HA H 10 4.407 4.676 -0.269 1
1 50 . 2 1 1 A 10 10 SER CB C 10 66.161 63.502 2.659 1
1 53 . 2 1 1 A 10 10 SER C C 10 176.964 174.720 2.244 1
1 54 . 2 1 1 A 11 11 GLU N N 11 122.677 116.577 6.100 1
1 55 . 2 1 1 A 11 11 GLU H H 11 8.443 8.473 -0.030 1
1 56 . 2 1 1 A 11 11 GLU CA C 11 58.754 55.862 2.892 1
1 57 . 2 1 1 A 11 11 GLU HA H 11 4.316 4.338 -0.022 1
1 58 . 2 1 1 A 11 11 GLU CB C 11 32.345 29.352 2.993 1
1 64 . 2 1 1 A 11 11 GLU C C 11 178.630 175.882 2.748 1
1 65 . 2 1 1 A 12 12 LEU N N 12 122.751 122.206 0.545 1
1 66 . 2 1 1 A 12 12 LEU H H 12 8.101 7.547 0.554 1
1 67 . 2 1 1 A 12 12 LEU CA C 12 57.200 53.082 4.118 1
1 68 . 2 1 1 A 12 12 LEU HA H 12 4.330 4.709 -0.379 1
1 69 . 2 1 1 A 12 12 LEU CB C 12 44.701 44.182 0.519 1
1 82 . 2 1 1 A 12 12 LEU C C 12 179.430 175.971 3.459 1
1 83 . 2 1 1 A 13 13 GLU N N 13 122.737 119.442 3.295 1
1 84 . 2 1 1 A 13 13 GLU H H 13 8.361 8.554 -0.193 1
1 85 . 2 1 1 A 13 13 GLU CA C 13 58.512 54.365 4.147 1
1 86 . 2 1 1 A 13 13 GLU HA H 13 4.272 4.751 -0.479 1
1 87 . 2 1 1 A 13 13 GLU CB C 13 32.697 32.541 0.156 1
1 93 . 2 1 1 A 13 13 GLU C C 13 178.439 175.385 3.054 1
1 94 . 2 1 1 A 14 14 LEU N N 14 124.926 122.394 2.532 1
1 95 . 2 1 1 A 14 14 LEU H H 14 8.476 8.522 -0.046 1
1 96 . 2 1 1 A 14 14 LEU CA C 14 54.936 52.549 2.387 1
1 97 . 2 1 1 A 14 14 LEU HA H 14 4.513 4.547 -0.034 1
1 98 . 2 1 1 A 14 14 LEU CB C 14 44.202 41.129 3.073 1
1 111 . 2 1 1 A 14 14 LEU C C 14 176.898 174.653 2.245 1
1 112 . 2 1 1 A 15 15 PRO CA C 15 64.197 62.170 2.027 1
1 113 . 2 1 1 A 15 15 PRO HA H 15 4.505 4.571 -0.066 1
1 114 . 2 1 1 A 15 15 PRO CB C 15 33.625 32.822 0.803 1
1 123 . 2 1 1 A 15 15 PRO C C 15 178.217 176.295 1.922 1
1 124 . 2 1 1 A 16 16 ALA N N 16 123.785 124.522 -0.737 1
1 125 . 2 1 1 A 16 16 ALA H H 16 8.483 8.333 0.150 1
1 126 . 2 1 1 A 16 16 ALA CA C 16 55.949 53.488 2.461 1
1 127 . 2 1 1 A 16 16 ALA HA H 16 4.250 3.982 0.268 1
1 128 . 2 1 1 A 16 16 ALA CB C 16 20.671 18.956 1.715 1
1 132 . 2 1 1 A 16 16 ALA C C 16 180.993 178.314 2.679 1
1 133 . 2 1 1 A 17 17 GLY N N 17 110.361 109.917 0.444 1
1 134 . 2 1 1 A 17 17 GLY H H 17 8.826 8.979 -0.153 1
1 135 . 2 1 1 A 17 17 GLY CA C 17 47.644 45.337 2.307 1
1 136 . 2 1 1 A 17 17 GLY HA2 H 17 3.781 4.029 -0.248 1
1 137 . 2 1 1 A 17 17 GLY HA3 H 17 4.248 4.029 0.219 1
1 138 . 2 1 1 A 17 17 GLY C C 17 175.678 174.467 1.211 1
1 139 . 2 1 1 A 18 18 TRP N N 18 118.683 120.688 -2.005 1
1 140 . 2 1 1 A 18 18 TRP H H 18 7.771 7.843 -0.072 1
1 141 . 2 1 1 A 18 18 TRP CA C 18 59.186 57.853 1.333 1
1 142 . 2 1 1 A 18 18 TRP HA H 18 5.710 4.719 0.991 1
1 143 . 2 1 1 A 18 18 TRP CB C 18 34.117 30.976 3.141 1
1 158 . 2 1 1 A 18 18 TRP C C 18 179.094 175.848 3.246 1
1 159 . 2 1 1 A 19 19 GLU N N 19 122.400 122.411 -0.011 1
1 160 . 2 1 1 A 19 19 GLU H H 19 9.431 8.501 0.930 1
1 161 . 2 1 1 A 19 19 GLU CA C 19 57.452 55.846 1.606 1
1 162 . 2 1 1 A 19 19 GLU HA H 19 4.668 4.725 -0.057 1
1 163 . 2 1 1 A 19 19 GLU CB C 19 36.636 32.524 4.112 1
1 169 . 2 1 1 A 19 19 GLU C C 19 176.242 175.180 1.062 1
1 170 . 2 1 1 A 20 20 LYS N N 20 126.826 123.872 2.954 1
1 171 . 2 1 1 A 20 20 LYS H H 20 8.839 8.306 0.533 1
1 172 . 2 1 1 A 20 20 LYS CA C 20 57.834 56.410 1.424 1
1 173 . 2 1 1 A 20 20 LYS HA H 20 4.396 4.345 0.051 1
1 174 . 2 1 1 A 20 20 LYS CB C 20 36.189 32.791 3.398 1
1 186 . 2 1 1 A 20 20 LYS C C 20 176.986 175.829 1.157 1
1 187 . 2 1 1 A 21 21 ILE N N 21 130.514 123.569 6.945 1
1 188 . 2 1 1 A 21 21 ILE H H 21 8.899 8.501 0.398 1
1 189 . 2 1 1 A 21 21 ILE CA C 21 61.347 59.880 1.467 1
1 190 . 2 1 1 A 21 21 ILE HA H 21 4.062 4.560 -0.498 1
1 191 . 2 1 1 A 21 21 ILE CB C 21 40.504 40.436 0.068 1
1 204 . 2 1 1 A 21 21 ILE C C 21 176.050 174.603 1.447 1
1 205 . 2 1 1 A 22 22 GLU N N 22 124.786 127.449 -2.663 1
1 206 . 2 1 1 A 22 22 GLU H H 22 8.328 8.650 -0.322 1
1 207 . 2 1 1 A 22 22 GLU CA C 22 56.983 55.264 1.719 1
1 208 . 2 1 1 A 22 22 GLU HA H 22 4.439 5.018 -0.579 1
1 209 . 2 1 1 A 22 22 GLU CB C 22 32.206 30.895 1.311 1
1 215 . 2 1 1 A 22 22 GLU C C 22 176.960 175.011 1.949 1
1 216 . 2 1 1 A 23 23 ASP N N 23 128.273 124.248 4.025 1
1 217 . 2 1 1 A 23 23 ASP H H 23 8.412 8.790 -0.378 1
1 218 . 2 1 1 A 23 23 ASP CA C 23 53.796 50.820 2.976 1
1 219 . 2 1 1 A 23 23 ASP HA H 23 5.093 5.193 -0.100 1
1 220 . 2 1 1 A 23 23 ASP CB C 23 47.804 44.419 3.385 1
1 223 . 2 1 1 A 23 23 ASP C C 23 177.989 175.673 2.316 1
1 224 . 2 1 1 A 24 24 PRO CA C 24 66.947 64.192 2.755 1
1 225 . 2 1 1 A 24 24 PRO HA H 24 4.377 4.527 -0.150 1
1 226 . 2 1 1 A 24 24 PRO CB C 24 34.504 31.803 2.701 1
1 235 . 2 1 1 A 24 24 PRO C C 24 178.884 177.091 1.793 1
1 236 . 2 1 1 A 25 25 VAL N N 25 118.954 115.543 3.411 1
1 237 . 2 1 1 A 25 25 VAL H H 25 8.498 8.360 0.138 1
1 238 . 2 1 1 A 25 25 VAL CA C 25 66.276 63.811 2.465 1
1 239 . 2 1 1 A 25 25 VAL HA H 25 3.885 4.064 -0.179 1
1 240 . 2 1 1 A 25 25 VAL CB C 25 35.312 33.408 1.904 1
1 250 . 2 1 1 A 25 25 VAL C C 25 179.867 177.081 2.786 1
1 251 . 2 1 1 A 26 26 TYR N N 26 118.189 116.639 1.550 1
1 252 . 2 1 1 A 26 26 TYR H H 26 8.623 7.951 0.672 1
1 253 . 2 1 1 A 26 26 TYR CA C 26 61.321 58.434 2.887 1
1 254 . 2 1 1 A 26 26 TYR HA H 26 4.495 4.658 -0.163 1
1 255 . 2 1 1 A 26 26 TYR CB C 26 41.356 39.319 2.037 1
1 266 . 2 1 1 A 26 26 TYR C C 26 178.462 176.667 1.795 1
1 267 . 2 1 1 A 27 27 GLY N N 27 110.334 106.669 3.665 1
1 268 . 2 1 1 A 27 27 GLY H H 27 8.220 8.540 -0.320 1
1 269 . 2 1 1 A 27 27 GLY CA C 27 47.221 45.407 1.814 1
1 270 . 2 1 1 A 27 27 GLY HA2 H 27 3.910 4.196 -0.286 1
1 271 . 2 1 1 A 27 27 GLY HA3 H 27 4.389 4.248 0.141 1
1 272 . 2 1 1 A 27 27 GLY C C 27 175.432 173.706 1.726 1
1 273 . 2 1 1 A 28 28 ILE N N 28 121.398 122.544 -1.146 1
1 274 . 2 1 1 A 28 28 ILE H H 28 8.281 8.349 -0.068 1
1 275 . 2 1 1 A 28 28 ILE CA C 28 63.218 60.633 2.585 1
1 276 . 2 1 1 A 28 28 ILE HA H 28 4.885 4.922 -0.037 1
1 277 . 2 1 1 A 28 28 ILE CB C 28 40.979 38.518 2.461 1
1 290 . 2 1 1 A 28 28 ILE C C 28 179.002 174.395 4.607 1
1 291 . 2 1 1 A 29 29 TYR N N 29 124.797 124.097 0.700 1
1 292 . 2 1 1 A 29 29 TYR H H 29 8.812 8.467 0.345 1
1 293 . 2 1 1 A 29 29 TYR CA C 29 58.567 54.894 3.673 1
1 294 . 2 1 1 A 29 29 TYR HA H 29 4.691 4.789 -0.098 1
1 295 . 2 1 1 A 29 29 TYR CB C 29 41.239 41.617 -0.378 1
1 306 . 2 1 1 A 29 29 TYR C C 29 173.343 172.776 0.567 1
1 307 . 2 1 1 A 30 30 TYR N N 30 117.085 122.697 -5.612 1
1 308 . 2 1 1 A 30 30 TYR H H 30 8.925 8.327 0.598 1
1 309 . 2 1 1 A 30 30 TYR CA C 30 59.179 57.836 1.343 1
1 310 . 2 1 1 A 30 30 TYR HA H 30 5.431 4.948 0.483 1
1 311 . 2 1 1 A 30 30 TYR CB C 30 43.770 39.983 3.787 1
1 322 . 2 1 1 A 30 30 TYR C C 30 177.375 175.303 2.072 1
1 323 . 2 1 1 A 31 31 VAL N N 31 121.450 123.472 -2.022 1
1 324 . 2 1 1 A 31 31 VAL H H 31 9.204 9.210 -0.006 1
1 325 . 2 1 1 A 31 31 VAL CA C 31 62.688 61.240 1.448 1
1 326 . 2 1 1 A 31 31 VAL HA H 31 4.633 4.560 0.073 1
1 327 . 2 1 1 A 31 31 VAL CB C 31 37.509 32.866 4.643 1
1 337 . 2 1 1 A 31 31 VAL C C 31 175.631 173.757 1.874 1
1 338 . 2 1 1 A 32 32 ASP N N 32 126.397 128.052 -1.655 1
1 339 . 2 1 1 A 32 32 ASP H H 32 8.361 8.159 0.202 1
1 340 . 2 1 1 A 32 32 ASP CA C 32 53.716 51.809 1.907 1
1 341 . 2 1 1 A 32 32 ASP HA H 32 3.844 4.388 -0.544 1
1 342 . 2 1 1 A 32 32 ASP CB C 32 41.631 39.722 1.909 1
1 345 . 2 1 1 A 32 32 ASP C C 32 179.908 176.310 3.598 1
1 346 . 2 1 1 A 33 33 HIS N N 33 122.272 122.533 -0.261 1
1 347 . 2 1 1 A 33 33 HIS H H 33 8.636 8.011 0.625 1
1 348 . 2 1 1 A 33 33 HIS CA C 33 60.587 57.789 2.798 1
1 349 . 2 1 1 A 33 33 HIS HA H 33 4.269 4.231 0.038 1
1 350 . 2 1 1 A 33 33 HIS CB C 33 33.066 29.034 4.032 1
1 357 . 2 1 1 A 33 33 HIS C C 33 178.929 177.366 1.563 1
1 358 . 2 1 1 A 34 34 ILE N N 34 120.451 120.813 -0.362 1
1 359 . 2 1 1 A 34 34 ILE H H 34 8.133 7.806 0.327 1
1 360 . 2 1 1 A 34 34 ILE CA C 34 65.440 64.537 0.903 1
1 361 . 2 1 1 A 34 34 ILE HA H 34 3.880 3.719 0.161 1
1 362 . 2 1 1 A 34 34 ILE CB C 34 39.306 37.742 1.564 1
1 375 . 2 1 1 A 34 34 ILE C C 34 179.561 178.070 1.491 1
1 376 . 2 1 1 A 35 35 ASN N N 35 116.293 117.424 -1.131 1
1 377 . 2 1 1 A 35 35 ASN H H 35 7.748 7.851 -0.103 1
1 378 . 2 1 1 A 35 35 ASN CA C 35 55.406 53.009 2.397 1
1 379 . 2 1 1 A 35 35 ASN HA H 35 4.623 4.718 -0.095 1
1 380 . 2 1 1 A 35 35 ASN CB C 35 41.081 38.849 2.232 1
1 386 . 2 1 1 A 35 35 ASN C C 35 176.331 174.519 1.812 1
1 387 . 2 1 1 A 36 36 ARG N N 36 118.342 116.235 2.107 1
1 388 . 2 1 1 A 36 36 ARG H H 36 7.691 7.966 -0.275 1
1 389 . 2 1 1 A 36 36 ARG CA C 36 58.927 57.002 1.925 1
1 390 . 2 1 1 A 36 36 ARG HA H 36 3.921 4.117 -0.196 1
1 391 . 2 1 1 A 36 36 ARG CB C 36 28.757 27.003 1.754 1
1 400 . 2 1 1 A 36 36 ARG C C 36 177.156 174.310 2.846 1
1 401 . 2 1 1 A 37 37 LYS N N 37 118.394 114.640 3.754 1
1 402 . 2 1 1 A 37 37 LYS H H 37 7.574 7.381 0.193 1
1 403 . 2 1 1 A 37 37 LYS CA C 37 56.975 54.468 2.507 1
1 404 . 2 1 1 A 37 37 LYS HA H 37 4.761 4.989 -0.228 1
1 405 . 2 1 1 A 37 37 LYS CB C 37 38.331 35.382 2.949 1
1 417 . 2 1 1 A 37 37 LYS C C 37 177.346 175.189 2.157 1
1 418 . 2 1 1 A 38 38 THR N N 38 114.847 114.343 0.504 1
1 419 . 2 1 1 A 38 38 THR H H 38 8.348 8.776 -0.428 1
1 420 . 2 1 1 A 38 38 THR CA C 38 63.013 60.875 2.138 1
1 421 . 2 1 1 A 38 38 THR HA H 38 5.369 5.735 -0.366 1
1 422 . 2 1 1 A 38 38 THR CB C 38 73.561 70.423 3.138 1
1 428 . 2 1 1 A 38 38 THR C C 38 176.244 173.917 2.327 1
1 429 . 2 1 1 A 39 39 GLN N N 39 118.695 123.710 -5.015 1
1 430 . 2 1 1 A 39 39 GLN H H 39 9.258 8.702 0.556 1
1 431 . 2 1 1 A 39 39 GLN CA C 39 57.417 54.550 2.867 1
1 432 . 2 1 1 A 39 39 GLN HA H 39 4.862 5.059 -0.197 1
1 433 . 2 1 1 A 39 39 GLN CB C 39 33.937 32.763 1.174 1
1 442 . 2 1 1 A 39 39 GLN C C 39 176.863 175.064 1.799 1
1 443 . 2 1 1 A 40 40 TYR N N 40 119.839 121.053 -1.214 1
1 444 . 2 1 1 A 40 40 TYR H H 40 8.969 9.100 -0.131 1
1 445 . 2 1 1 A 40 40 TYR CA C 40 62.528 59.973 2.555 1
1 446 . 2 1 1 A 40 40 TYR HA H 40 4.737 4.074 0.663 1
1 447 . 2 1 1 A 40 40 TYR CB C 40 41.283 38.491 2.792 1
1 458 . 2 1 1 A 40 40 TYR C C 40 178.553 176.194 2.359 1
1 459 . 2 1 1 A 41 41 GLU N N 41 119.641 118.883 0.758 1
1 460 . 2 1 1 A 41 41 GLU H H 41 8.136 8.147 -0.011 1
1 461 . 2 1 1 A 41 41 GLU CA C 41 58.710 56.821 1.889 1
1 462 . 2 1 1 A 41 41 GLU HA H 41 4.357 4.478 -0.121 1
1 463 . 2 1 1 A 41 41 GLU CB C 41 32.272 30.458 1.814 1
1 469 . 2 1 1 A 41 41 GLU C C 41 177.835 175.647 2.188 1
1 470 . 2 1 1 A 42 42 ASN N N 42 123.220 120.872 2.348 1
1 471 . 2 1 1 A 42 42 ASN H H 42 8.597 8.701 -0.104 1
1 472 . 2 1 1 A 42 42 ASN CA C 42 53.458 49.776 3.682 1
1 473 . 2 1 1 A 42 42 ASN HA H 42 4.351 5.401 -1.050 1
1 474 . 2 1 1 A 42 42 ASN CB C 42 40.674 39.767 0.907 1
1 480 . 2 1 1 A 42 42 ASN C C 42 177.142 174.450 2.692 1
1 481 . 2 1 1 A 43 43 PRO CA C 43 65.366 63.485 1.881 1
1 482 . 2 1 1 A 43 43 PRO HA H 43 3.966 4.440 -0.474 1
1 483 . 2 1 1 A 43 43 PRO CB C 43 33.339 31.817 1.522 1
1 488 . 2 1 1 A 43 43 PRO C C 43 178.905 176.254 2.651 1
1 489 . 2 1 1 A 44 44 SER N N 44 116.274 115.881 0.393 1
1 490 . 2 1 1 A 44 44 SER H H 44 8.245 7.565 0.680 1
1 491 . 2 1 1 A 44 44 SER CA C 44 61.072 59.214 1.858 1
1 492 . 2 1 1 A 44 44 SER HA H 44 4.268 4.115 0.153 1
1 493 . 2 1 1 A 44 44 SER CB C 44 65.891 63.722 2.169 1
1 496 . 2 1 1 A 44 44 SER C C 44 176.440 174.117 2.323 1
1 497 . 2 1 1 A 45 45 GLY N N 45 109.785 111.944 -2.159 1
1 498 . 2 1 1 A 45 45 GLY H H 45 7.793 8.559 -0.766 1
1 499 . 2 1 1 A 45 45 GLY CA C 45 46.773 44.331 2.442 1
1 500 . 2 1 1 A 45 45 GLY HA2 H 45 4.062 4.164 -0.102 1
1 501 . 2 1 1 A 45 45 GLY HA3 H 45 4.016 4.166 -0.150 1
1 502 . 2 1 1 A 45 45 GLY C C 45 173.701 173.823 -0.122 1
1 503 . 2 1 1 A 46 46 PRO CA C 46 65.308 64.002 1.306 1
1 504 . 2 1 1 A 46 46 PRO HA H 46 4.479 4.394 0.085 1
1 505 . 2 1 1 A 46 46 PRO CB C 46 34.414 31.890 2.524 1
1 514 . 2 1 1 A 46 46 PRO C C 46 179.687 178.085 1.602 1
1 515 . 2 1 1 A 47 47 SER N N 47 116.800 114.306 2.494 1
1 516 . 2 1 1 A 47 47 SER H H 47 8.557 8.432 0.125 1
1 517 . 2 1 1 A 47 47 SER CA C 47 60.610 61.375 -0.765 1
1 518 . 2 1 1 A 47 47 SER HA H 47 4.503 4.209 0.294 1
1 519 . 2 1 1 A 47 47 SER CB C 47 66.122 62.980 3.142 1
1 522 . 2 1 1 A 47 47 SER C C 47 177.035 175.566 1.469 1
1 523 . 2 1 1 A 48 48 SER N N 48 118.250 115.423 2.827 1
1 524 . 2 1 1 A 48 48 SER H H 48 8.402 7.759 0.643 1
1 525 . 2 1 1 A 48 48 SER CA C 48 60.804 59.871 0.933 1
1 526 . 2 1 1 A 48 48 SER HA H 48 4.529 4.139 0.390 1
1 527 . 2 1 1 A 48 48 SER CB C 48 66.152 62.833 3.319 1
1 530 . 2 1 1 A 48 48 SER C C 48 176.272 174.404 1.868 1
1 1 . 3 1 1 A 5 5 SER CA C 5 60.635 58.569 2.066 1
1 2 . 3 1 1 A 5 5 SER HA H 5 4.585 4.472 0.113 1
1 3 . 3 1 1 A 5 5 SER CB C 5 66.298 62.884 3.414 1
1 6 . 3 1 1 A 5 5 SER C C 5 177.168 174.214 2.954 1
1 7 . 3 1 1 A 6 6 SER N N 6 118.338 118.849 -0.511 1
1 8 . 3 1 1 A 6 6 SER H H 6 8.569 8.731 -0.162 1
1 9 . 3 1 1 A 6 6 SER CA C 6 60.885 57.586 3.299 1
1 10 . 3 1 1 A 6 6 SER HA H 6 4.535 4.587 -0.052 1
1 11 . 3 1 1 A 6 6 SER CB C 6 66.148 63.369 2.779 1
1 14 . 3 1 1 A 6 6 SER C C 6 177.326 174.968 2.358 1
1 15 . 3 1 1 A 7 7 GLY N N 7 111.002 110.244 0.758 1
1 16 . 3 1 1 A 7 7 GLY H H 7 8.476 8.843 -0.367 1
1 17 . 3 1 1 A 7 7 GLY CA C 7 47.617 47.226 0.391 1
1 18 . 3 1 1 A 7 7 GLY HA2 H 7 4.019 3.872 0.147 1
1 19 . 3 1 1 A 7 7 GLY HA3 H 7 4.019 3.876 0.143 1
1 20 . 3 1 1 A 7 7 GLY C C 7 176.492 174.672 1.820 1
1 21 . 3 1 1 A 8 8 LEU N N 8 121.799 116.206 5.593 1
1 22 . 3 1 1 A 8 8 LEU H H 8 8.193 7.833 0.360 1
1 23 . 3 1 1 A 8 8 LEU CA C 8 57.462 56.209 1.253 1
1 24 . 3 1 1 A 8 8 LEU HA H 8 4.394 3.936 0.458 1
1 25 . 3 1 1 A 8 8 LEU CB C 8 44.690 39.816 4.874 1
1 37 . 3 1 1 A 8 8 LEU C C 8 179.755 176.348 3.407 1
1 38 . 3 1 1 A 9 9 ASP N N 9 121.308 117.314 3.994 1
1 39 . 3 1 1 A 9 9 ASP H H 9 8.466 8.246 0.220 1
1 40 . 3 1 1 A 9 9 ASP CA C 9 56.935 53.945 2.990 1
1 41 . 3 1 1 A 9 9 ASP HA H 9 4.606 4.532 0.074 1
1 42 . 3 1 1 A 9 9 ASP CB C 9 43.197 39.639 3.558 1
1 45 . 3 1 1 A 9 9 ASP C C 9 178.791 176.634 2.157 1
1 46 . 3 1 1 A 10 10 SER N N 10 115.813 114.799 1.014 1
1 47 . 3 1 1 A 10 10 SER H H 10 8.187 8.296 -0.109 1
1 48 . 3 1 1 A 10 10 SER CA C 10 60.991 60.242 0.749 1
1 49 . 3 1 1 A 10 10 SER HA H 10 4.407 4.380 0.027 1
1 50 . 3 1 1 A 10 10 SER CB C 10 66.161 63.177 2.984 1
1 53 . 3 1 1 A 10 10 SER C C 10 176.964 175.002 1.962 1
1 54 . 3 1 1 A 11 11 GLU N N 11 122.677 118.698 3.979 1
1 55 . 3 1 1 A 11 11 GLU H H 11 8.443 8.417 0.026 1
1 56 . 3 1 1 A 11 11 GLU CA C 11 58.754 55.862 2.892 1
1 57 . 3 1 1 A 11 11 GLU HA H 11 4.316 4.452 -0.136 1
1 58 . 3 1 1 A 11 11 GLU CB C 11 32.345 29.610 2.735 1
1 64 . 3 1 1 A 11 11 GLU C C 11 178.630 175.674 2.956 1
1 65 . 3 1 1 A 12 12 LEU N N 12 122.751 121.899 0.852 1
1 66 . 3 1 1 A 12 12 LEU H H 12 8.101 7.133 0.968 1
1 67 . 3 1 1 A 12 12 LEU CA C 12 57.200 53.296 3.904 1
1 68 . 3 1 1 A 12 12 LEU HA H 12 4.330 4.796 -0.466 1
1 69 . 3 1 1 A 12 12 LEU CB C 12 44.701 45.595 -0.894 1
1 82 . 3 1 1 A 12 12 LEU C C 12 179.430 175.269 4.161 1
1 83 . 3 1 1 A 13 13 GLU N N 13 122.737 119.680 3.057 1
1 84 . 3 1 1 A 13 13 GLU H H 13 8.361 8.622 -0.261 1
1 85 . 3 1 1 A 13 13 GLU CA C 13 58.512 54.501 4.011 1
1 86 . 3 1 1 A 13 13 GLU HA H 13 4.272 4.805 -0.533 1
1 87 . 3 1 1 A 13 13 GLU CB C 13 32.697 32.729 -0.032 1
1 93 . 3 1 1 A 13 13 GLU C C 13 178.439 175.463 2.976 1
1 94 . 3 1 1 A 14 14 LEU N N 14 124.926 122.330 2.596 1
1 95 . 3 1 1 A 14 14 LEU H H 14 8.476 8.545 -0.069 1
1 96 . 3 1 1 A 14 14 LEU CA C 14 54.936 52.523 2.413 1
1 97 . 3 1 1 A 14 14 LEU HA H 14 4.513 4.553 -0.040 1
1 98 . 3 1 1 A 14 14 LEU CB C 14 44.202 41.047 3.155 1
1 111 . 3 1 1 A 14 14 LEU C C 14 176.898 174.769 2.129 1
1 112 . 3 1 1 A 15 15 PRO CA C 15 64.197 62.174 2.023 1
1 113 . 3 1 1 A 15 15 PRO HA H 15 4.505 4.574 -0.069 1
1 114 . 3 1 1 A 15 15 PRO CB C 15 33.625 32.982 0.643 1
1 123 . 3 1 1 A 15 15 PRO C C 15 178.217 176.295 1.922 1
1 124 . 3 1 1 A 16 16 ALA N N 16 123.785 124.262 -0.477 1
1 125 . 3 1 1 A 16 16 ALA H H 16 8.483 8.334 0.149 1
1 126 . 3 1 1 A 16 16 ALA CA C 16 55.949 53.492 2.457 1
1 127 . 3 1 1 A 16 16 ALA HA H 16 4.250 3.980 0.270 1
1 128 . 3 1 1 A 16 16 ALA CB C 16 20.671 18.850 1.821 1
1 132 . 3 1 1 A 16 16 ALA C C 16 180.993 178.331 2.662 1
1 133 . 3 1 1 A 17 17 GLY N N 17 110.361 109.958 0.403 1
1 134 . 3 1 1 A 17 17 GLY H H 17 8.826 8.973 -0.147 1
1 135 . 3 1 1 A 17 17 GLY CA C 17 47.644 45.243 2.401 1
1 136 . 3 1 1 A 17 17 GLY HA2 H 17 3.781 4.022 -0.241 1
1 137 . 3 1 1 A 17 17 GLY HA3 H 17 4.248 4.026 0.222 1
1 138 . 3 1 1 A 17 17 GLY C C 17 175.678 174.495 1.183 1
1 139 . 3 1 1 A 18 18 TRP N N 18 118.683 120.705 -2.022 1
1 140 . 3 1 1 A 18 18 TRP H H 18 7.771 7.855 -0.084 1
1 141 . 3 1 1 A 18 18 TRP CA C 18 59.186 57.737 1.449 1
1 142 . 3 1 1 A 18 18 TRP HA H 18 5.710 4.757 0.953 1
1 143 . 3 1 1 A 18 18 TRP CB C 18 34.117 31.093 3.024 1
1 158 . 3 1 1 A 18 18 TRP C C 18 179.094 175.883 3.211 1
1 159 . 3 1 1 A 19 19 GLU N N 19 122.400 122.411 -0.011 1
1 160 . 3 1 1 A 19 19 GLU H H 19 9.431 8.520 0.911 1
1 161 . 3 1 1 A 19 19 GLU CA C 19 57.452 55.813 1.639 1
1 162 . 3 1 1 A 19 19 GLU HA H 19 4.668 4.742 -0.074 1
1 163 . 3 1 1 A 19 19 GLU CB C 19 36.636 32.632 4.004 1
1 169 . 3 1 1 A 19 19 GLU C C 19 176.242 175.172 1.070 1
1 170 . 3 1 1 A 20 20 LYS N N 20 126.826 123.597 3.229 1
1 171 . 3 1 1 A 20 20 LYS H H 20 8.839 8.282 0.557 1
1 172 . 3 1 1 A 20 20 LYS CA C 20 57.834 56.343 1.491 1
1 173 . 3 1 1 A 20 20 LYS HA H 20 4.396 4.364 0.032 1
1 174 . 3 1 1 A 20 20 LYS CB C 20 36.189 32.823 3.366 1
1 186 . 3 1 1 A 20 20 LYS C C 20 176.986 175.731 1.255 1
1 187 . 3 1 1 A 21 21 ILE N N 21 130.514 123.672 6.842 1
1 188 . 3 1 1 A 21 21 ILE H H 21 8.899 8.522 0.377 1
1 189 . 3 1 1 A 21 21 ILE CA C 21 61.347 59.766 1.581 1
1 190 . 3 1 1 A 21 21 ILE HA H 21 4.062 4.567 -0.505 1
1 191 . 3 1 1 A 21 21 ILE CB C 21 40.504 40.518 -0.014 1
1 204 . 3 1 1 A 21 21 ILE C C 21 176.050 174.612 1.438 1
1 205 . 3 1 1 A 22 22 GLU N N 22 124.786 127.191 -2.405 1
1 206 . 3 1 1 A 22 22 GLU H H 22 8.328 8.687 -0.359 1
1 207 . 3 1 1 A 22 22 GLU CA C 22 56.983 55.188 1.795 1
1 208 . 3 1 1 A 22 22 GLU HA H 22 4.439 5.029 -0.590 1
1 209 . 3 1 1 A 22 22 GLU CB C 22 32.206 30.975 1.231 1
1 215 . 3 1 1 A 22 22 GLU C C 22 176.960 174.952 2.008 1
1 216 . 3 1 1 A 23 23 ASP N N 23 128.273 124.249 4.024 1
1 217 . 3 1 1 A 23 23 ASP H H 23 8.412 8.774 -0.362 1
1 218 . 3 1 1 A 23 23 ASP CA C 23 53.796 50.816 2.980 1
1 219 . 3 1 1 A 23 23 ASP HA H 23 5.093 5.193 -0.100 1
1 220 . 3 1 1 A 23 23 ASP CB C 23 47.804 44.454 3.350 1
1 223 . 3 1 1 A 23 23 ASP C C 23 177.989 175.673 2.316 1
1 224 . 3 1 1 A 24 24 PRO CA C 24 66.947 64.192 2.755 1
1 225 . 3 1 1 A 24 24 PRO HA H 24 4.377 4.527 -0.150 1
1 226 . 3 1 1 A 24 24 PRO CB C 24 34.504 31.803 2.701 1
1 235 . 3 1 1 A 24 24 PRO C C 24 178.884 177.091 1.793 1
1 236 . 3 1 1 A 25 25 VAL N N 25 118.954 115.540 3.414 1
1 237 . 3 1 1 A 25 25 VAL H H 25 8.498 8.151 0.347 1
1 238 . 3 1 1 A 25 25 VAL CA C 25 66.276 63.816 2.460 1
1 239 . 3 1 1 A 25 25 VAL HA H 25 3.885 4.070 -0.185 1
1 240 . 3 1 1 A 25 25 VAL CB C 25 35.312 33.423 1.889 1
1 250 . 3 1 1 A 25 25 VAL C C 25 179.867 177.095 2.772 1
1 251 . 3 1 1 A 26 26 TYR N N 26 118.189 116.554 1.635 1
1 252 . 3 1 1 A 26 26 TYR H H 26 8.623 7.913 0.710 1
1 253 . 3 1 1 A 26 26 TYR CA C 26 61.321 58.424 2.897 1
1 254 . 3 1 1 A 26 26 TYR HA H 26 4.495 4.644 -0.149 1
1 255 . 3 1 1 A 26 26 TYR CB C 26 41.356 39.113 2.243 1
1 266 . 3 1 1 A 26 26 TYR C C 26 178.462 176.662 1.800 1
1 267 . 3 1 1 A 27 27 GLY N N 27 110.334 106.692 3.642 1
1 268 . 3 1 1 A 27 27 GLY H H 27 8.220 8.550 -0.330 1
1 269 . 3 1 1 A 27 27 GLY CA C 27 47.221 45.466 1.755 1
1 270 . 3 1 1 A 27 27 GLY HA2 H 27 3.910 4.203 -0.293 1
1 271 . 3 1 1 A 27 27 GLY HA3 H 27 4.389 4.260 0.129 1
1 272 . 3 1 1 A 27 27 GLY C C 27 175.432 173.699 1.733 1
1 273 . 3 1 1 A 28 28 ILE N N 28 121.398 122.282 -0.884 1
1 274 . 3 1 1 A 28 28 ILE H H 28 8.281 8.359 -0.078 1
1 275 . 3 1 1 A 28 28 ILE CA C 28 63.218 60.684 2.534 1
1 276 . 3 1 1 A 28 28 ILE HA H 28 4.885 4.920 -0.035 1
1 277 . 3 1 1 A 28 28 ILE CB C 28 40.979 38.595 2.384 1
1 290 . 3 1 1 A 28 28 ILE C C 28 179.002 174.446 4.556 1
1 291 . 3 1 1 A 29 29 TYR N N 29 124.797 123.964 0.833 1
1 292 . 3 1 1 A 29 29 TYR H H 29 8.812 8.503 0.309 1
1 293 . 3 1 1 A 29 29 TYR CA C 29 58.567 54.887 3.680 1
1 294 . 3 1 1 A 29 29 TYR HA H 29 4.691 4.709 -0.018 1
1 295 . 3 1 1 A 29 29 TYR CB C 29 41.239 41.595 -0.356 1
1 306 . 3 1 1 A 29 29 TYR C C 29 173.343 172.647 0.696 1
1 307 . 3 1 1 A 30 30 TYR N N 30 117.085 122.683 -5.598 1
1 308 . 3 1 1 A 30 30 TYR H H 30 8.925 8.375 0.550 1
1 309 . 3 1 1 A 30 30 TYR CA C 30 59.179 57.834 1.345 1
1 310 . 3 1 1 A 30 30 TYR HA H 30 5.431 4.968 0.463 1
1 311 . 3 1 1 A 30 30 TYR CB C 30 43.770 39.994 3.776 1
1 322 . 3 1 1 A 30 30 TYR C C 30 177.375 175.400 1.975 1
1 323 . 3 1 1 A 31 31 VAL N N 31 121.450 123.441 -1.991 1
1 324 . 3 1 1 A 31 31 VAL H H 31 9.204 9.222 -0.018 1
1 325 . 3 1 1 A 31 31 VAL CA C 31 62.688 61.181 1.507 1
1 326 . 3 1 1 A 31 31 VAL HA H 31 4.633 4.597 0.036 1
1 327 . 3 1 1 A 31 31 VAL CB C 31 37.509 32.966 4.543 1
1 337 . 3 1 1 A 31 31 VAL C C 31 175.631 173.775 1.856 1
1 338 . 3 1 1 A 32 32 ASP N N 32 126.397 128.053 -1.656 1
1 339 . 3 1 1 A 32 32 ASP H H 32 8.361 8.199 0.162 1
1 340 . 3 1 1 A 32 32 ASP CA C 32 53.716 51.903 1.813 1
1 341 . 3 1 1 A 32 32 ASP HA H 32 3.844 4.380 -0.536 1
1 342 . 3 1 1 A 32 32 ASP CB C 32 41.631 39.720 1.911 1
1 345 . 3 1 1 A 32 32 ASP C C 32 179.908 176.324 3.584 1
1 346 . 3 1 1 A 33 33 HIS N N 33 122.272 122.639 -0.367 1
1 347 . 3 1 1 A 33 33 HIS H H 33 8.636 8.071 0.565 1
1 348 . 3 1 1 A 33 33 HIS CA C 33 60.587 57.489 3.098 1
1 349 . 3 1 1 A 33 33 HIS HA H 33 4.269 4.237 0.032 1
1 350 . 3 1 1 A 33 33 HIS CB C 33 33.066 28.945 4.121 1
1 357 . 3 1 1 A 33 33 HIS C C 33 178.929 177.237 1.692 1
1 358 . 3 1 1 A 34 34 ILE N N 34 120.451 120.615 -0.164 1
1 359 . 3 1 1 A 34 34 ILE H H 34 8.133 7.810 0.323 1
1 360 . 3 1 1 A 34 34 ILE CA C 34 65.440 64.422 1.018 1
1 361 . 3 1 1 A 34 34 ILE HA H 34 3.880 3.776 0.104 1
1 362 . 3 1 1 A 34 34 ILE CB C 34 39.306 37.786 1.520 1
1 375 . 3 1 1 A 34 34 ILE C C 34 179.561 177.771 1.790 1
1 376 . 3 1 1 A 35 35 ASN N N 35 116.293 117.095 -0.802 1
1 377 . 3 1 1 A 35 35 ASN H H 35 7.748 7.875 -0.127 1
1 378 . 3 1 1 A 35 35 ASN CA C 35 55.406 52.801 2.605 1
1 379 . 3 1 1 A 35 35 ASN HA H 35 4.623 4.743 -0.120 1
1 380 . 3 1 1 A 35 35 ASN CB C 35 41.081 38.644 2.437 1
1 386 . 3 1 1 A 35 35 ASN C C 35 176.331 174.383 1.948 1
1 387 . 3 1 1 A 36 36 ARG N N 36 118.342 116.362 1.980 1
1 388 . 3 1 1 A 36 36 ARG H H 36 7.691 8.076 -0.385 1
1 389 . 3 1 1 A 36 36 ARG CA C 36 58.927 57.001 1.926 1
1 390 . 3 1 1 A 36 36 ARG HA H 36 3.921 4.113 -0.192 1
1 391 . 3 1 1 A 36 36 ARG CB C 36 28.757 26.950 1.807 1
1 400 . 3 1 1 A 36 36 ARG C C 36 177.156 174.306 2.850 1
1 401 . 3 1 1 A 37 37 LYS N N 37 118.394 114.686 3.708 1
1 402 . 3 1 1 A 37 37 LYS H H 37 7.574 7.398 0.176 1
1 403 . 3 1 1 A 37 37 LYS CA C 37 56.975 54.406 2.569 1
1 404 . 3 1 1 A 37 37 LYS HA H 37 4.761 4.970 -0.209 1
1 405 . 3 1 1 A 37 37 LYS CB C 37 38.331 35.104 3.227 1
1 417 . 3 1 1 A 37 37 LYS C C 37 177.346 175.214 2.132 1
1 418 . 3 1 1 A 38 38 THR N N 38 114.847 114.707 0.140 1
1 419 . 3 1 1 A 38 38 THR H H 38 8.348 8.818 -0.470 1
1 420 . 3 1 1 A 38 38 THR CA C 38 63.013 60.997 2.016 1
1 421 . 3 1 1 A 38 38 THR HA H 38 5.369 5.710 -0.341 1
1 422 . 3 1 1 A 38 38 THR CB C 38 73.561 70.411 3.150 1
1 428 . 3 1 1 A 38 38 THR C C 38 176.244 173.911 2.333 1
1 429 . 3 1 1 A 39 39 GLN N N 39 118.695 123.735 -5.040 1
1 430 . 3 1 1 A 39 39 GLN H H 39 9.258 8.691 0.567 1
1 431 . 3 1 1 A 39 39 GLN CA C 39 57.417 54.545 2.872 1
1 432 . 3 1 1 A 39 39 GLN HA H 39 4.862 5.055 -0.193 1
1 433 . 3 1 1 A 39 39 GLN CB C 39 33.937 32.771 1.166 1
1 442 . 3 1 1 A 39 39 GLN C C 39 176.863 174.976 1.887 1
1 443 . 3 1 1 A 40 40 TYR N N 40 119.839 121.010 -1.171 1
1 444 . 3 1 1 A 40 40 TYR H H 40 8.969 9.082 -0.113 1
1 445 . 3 1 1 A 40 40 TYR CA C 40 62.528 59.955 2.573 1
1 446 . 3 1 1 A 40 40 TYR HA H 40 4.737 4.065 0.672 1
1 447 . 3 1 1 A 40 40 TYR CB C 40 41.283 38.575 2.708 1
1 458 . 3 1 1 A 40 40 TYR C C 40 178.553 176.178 2.375 1
1 459 . 3 1 1 A 41 41 GLU N N 41 119.641 118.628 1.013 1
1 460 . 3 1 1 A 41 41 GLU H H 41 8.136 8.119 0.017 1
1 461 . 3 1 1 A 41 41 GLU CA C 41 58.710 56.782 1.928 1
1 462 . 3 1 1 A 41 41 GLU HA H 41 4.357 4.450 -0.093 1
1 463 . 3 1 1 A 41 41 GLU CB C 41 32.272 30.731 1.541 1
1 469 . 3 1 1 A 41 41 GLU C C 41 177.835 175.669 2.166 1
1 470 . 3 1 1 A 42 42 ASN N N 42 123.220 120.628 2.592 1
1 471 . 3 1 1 A 42 42 ASN H H 42 8.597 8.682 -0.085 1
1 472 . 3 1 1 A 42 42 ASN CA C 42 53.458 49.812 3.646 1
1 473 . 3 1 1 A 42 42 ASN HA H 42 4.351 5.423 -1.072 1
1 474 . 3 1 1 A 42 42 ASN CB C 42 40.674 39.806 0.868 1
1 480 . 3 1 1 A 42 42 ASN C C 42 177.142 174.388 2.754 1
1 481 . 3 1 1 A 43 43 PRO CA C 43 65.366 63.430 1.936 1
1 482 . 3 1 1 A 43 43 PRO HA H 43 3.966 4.417 -0.451 1
1 483 . 3 1 1 A 43 43 PRO CB C 43 33.339 31.675 1.664 1
1 488 . 3 1 1 A 43 43 PRO C C 43 178.905 176.322 2.583 1
1 489 . 3 1 1 A 44 44 SER N N 44 116.274 112.867 3.407 1
1 490 . 3 1 1 A 44 44 SER H H 44 8.245 7.304 0.941 1
1 491 . 3 1 1 A 44 44 SER CA C 44 61.072 59.183 1.889 1
1 492 . 3 1 1 A 44 44 SER HA H 44 4.268 4.227 0.041 1
1 493 . 3 1 1 A 44 44 SER CB C 44 65.891 63.339 2.552 1
1 496 . 3 1 1 A 44 44 SER C C 44 176.440 174.266 2.174 1
1 497 . 3 1 1 A 45 45 GLY N N 45 109.785 108.347 1.438 1
1 498 . 3 1 1 A 45 45 GLY H H 45 7.793 8.584 -0.791 1
1 499 . 3 1 1 A 45 45 GLY CA C 45 46.773 44.266 2.507 1
1 500 . 3 1 1 A 45 45 GLY HA2 H 45 4.062 4.113 -0.051 1
1 501 . 3 1 1 A 45 45 GLY HA3 H 45 4.016 4.115 -0.099 1
1 502 . 3 1 1 A 45 45 GLY C C 45 173.701 172.692 1.009 1
1 503 . 3 1 1 A 46 46 PRO CA C 46 65.308 62.348 2.960 1
1 504 . 3 1 1 A 46 46 PRO HA H 46 4.479 4.692 -0.213 1
1 505 . 3 1 1 A 46 46 PRO CB C 46 34.414 30.382 4.032 1
1 514 . 3 1 1 A 46 46 PRO C C 46 179.687 177.142 2.545 1
1 515 . 3 1 1 A 47 47 SER N N 47 116.800 119.312 -2.512 1
1 516 . 3 1 1 A 47 47 SER H H 47 8.557 8.340 0.217 1
1 517 . 3 1 1 A 47 47 SER CA C 47 60.610 61.505 -0.895 1
1 518 . 3 1 1 A 47 47 SER HA H 47 4.503 4.168 0.335 1
1 519 . 3 1 1 A 47 47 SER CB C 47 66.122 63.127 2.995 1
1 522 . 3 1 1 A 47 47 SER C C 47 177.035 176.296 0.739 1
1 523 . 3 1 1 A 48 48 SER N N 48 118.250 115.670 2.580 1
1 524 . 3 1 1 A 48 48 SER H H 48 8.402 7.980 0.422 1
1 525 . 3 1 1 A 48 48 SER CA C 48 60.804 60.877 -0.073 1
1 526 . 3 1 1 A 48 48 SER HA H 48 4.529 4.279 0.250 1
1 527 . 3 1 1 A 48 48 SER CB C 48 66.152 63.839 2.313 1
1 530 . 3 1 1 A 48 48 SER C C 48 176.272 174.778 1.494 1
1 1 . 4 1 1 A 5 5 SER CA C 5 60.635 57.449 3.186 1
1 2 . 4 1 1 A 5 5 SER HA H 5 4.585 5.020 -0.435 1
1 3 . 4 1 1 A 5 5 SER CB C 5 66.298 66.983 -0.685 1
1 6 . 4 1 1 A 5 5 SER C C 5 177.168 174.586 2.582 1
1 7 . 4 1 1 A 6 6 SER N N 6 118.338 119.530 -1.192 1
1 8 . 4 1 1 A 6 6 SER H H 6 8.569 8.891 -0.322 1
1 9 . 4 1 1 A 6 6 SER CA C 6 60.885 61.406 -0.521 1
1 10 . 4 1 1 A 6 6 SER HA H 6 4.535 4.140 0.395 1
1 11 . 4 1 1 A 6 6 SER CB C 6 66.148 63.533 2.615 1
1 14 . 4 1 1 A 6 6 SER C C 6 177.326 174.456 2.870 1
1 15 . 4 1 1 A 7 7 GLY N N 7 111.002 105.527 5.475 1
1 16 . 4 1 1 A 7 7 GLY H H 7 8.476 7.381 1.095 1
1 17 . 4 1 1 A 7 7 GLY CA C 7 47.617 45.801 1.816 1
1 18 . 4 1 1 A 7 7 GLY HA2 H 7 4.019 4.062 -0.043 1
1 19 . 4 1 1 A 7 7 GLY HA3 H 7 4.019 4.064 -0.045 1
1 20 . 4 1 1 A 7 7 GLY C C 7 176.492 171.333 5.159 1
1 21 . 4 1 1 A 8 8 LEU N N 8 121.799 120.550 1.249 1
1 22 . 4 1 1 A 8 8 LEU H H 8 8.193 8.437 -0.244 1
1 23 . 4 1 1 A 8 8 LEU CA C 8 57.462 53.310 4.152 1
1 24 . 4 1 1 A 8 8 LEU HA H 8 4.394 5.064 -0.670 1
1 25 . 4 1 1 A 8 8 LEU CB C 8 44.690 46.250 -1.560 1
1 37 . 4 1 1 A 8 8 LEU C C 8 179.755 175.219 4.536 1
1 38 . 4 1 1 A 9 9 ASP N N 9 121.308 123.099 -1.791 1
1 39 . 4 1 1 A 9 9 ASP H H 9 8.466 9.050 -0.584 1
1 40 . 4 1 1 A 9 9 ASP CA C 9 56.935 52.564 4.371 1
1 41 . 4 1 1 A 9 9 ASP HA H 9 4.606 5.398 -0.792 1
1 42 . 4 1 1 A 9 9 ASP CB C 9 43.197 42.275 0.922 1
1 45 . 4 1 1 A 9 9 ASP C C 9 178.791 176.102 2.689 1
1 46 . 4 1 1 A 10 10 SER N N 10 115.813 119.889 -4.076 1
1 47 . 4 1 1 A 10 10 SER H H 10 8.187 8.767 -0.580 1
1 48 . 4 1 1 A 10 10 SER CA C 10 60.991 58.184 2.807 1
1 49 . 4 1 1 A 10 10 SER HA H 10 4.407 4.757 -0.350 1
1 50 . 4 1 1 A 10 10 SER CB C 10 66.161 63.827 2.334 1
1 53 . 4 1 1 A 10 10 SER C C 10 176.964 174.785 2.179 1
1 54 . 4 1 1 A 11 11 GLU N N 11 122.677 117.983 4.694 1
1 55 . 4 1 1 A 11 11 GLU H H 11 8.443 8.346 0.097 1
1 56 . 4 1 1 A 11 11 GLU CA C 11 58.754 55.752 3.002 1
1 57 . 4 1 1 A 11 11 GLU HA H 11 4.316 4.479 -0.163 1
1 58 . 4 1 1 A 11 11 GLU CB C 11 32.345 29.828 2.517 1
1 64 . 4 1 1 A 11 11 GLU C C 11 178.630 175.864 2.766 1
1 65 . 4 1 1 A 12 12 LEU N N 12 122.751 121.778 0.973 1
1 66 . 4 1 1 A 12 12 LEU H H 12 8.101 7.538 0.563 1
1 67 . 4 1 1 A 12 12 LEU CA C 12 57.200 53.546 3.654 1
1 68 . 4 1 1 A 12 12 LEU HA H 12 4.330 4.795 -0.465 1
1 69 . 4 1 1 A 12 12 LEU CB C 12 44.701 45.835 -1.134 1
1 82 . 4 1 1 A 12 12 LEU C C 12 179.430 175.392 4.038 1
1 83 . 4 1 1 A 13 13 GLU N N 13 122.737 120.624 2.113 1
1 84 . 4 1 1 A 13 13 GLU H H 13 8.361 8.780 -0.419 1
1 85 . 4 1 1 A 13 13 GLU CA C 13 58.512 54.412 4.100 1
1 86 . 4 1 1 A 13 13 GLU HA H 13 4.272 4.803 -0.531 1
1 87 . 4 1 1 A 13 13 GLU CB C 13 32.697 32.669 0.028 1
1 93 . 4 1 1 A 13 13 GLU C C 13 178.439 175.832 2.607 1
1 94 . 4 1 1 A 14 14 LEU N N 14 124.926 122.305 2.621 1
1 95 . 4 1 1 A 14 14 LEU H H 14 8.476 8.620 -0.144 1
1 96 . 4 1 1 A 14 14 LEU CA C 14 54.936 52.730 2.206 1
1 97 . 4 1 1 A 14 14 LEU HA H 14 4.513 4.555 -0.042 1
1 98 . 4 1 1 A 14 14 LEU CB C 14 44.202 41.229 2.973 1
1 111 . 4 1 1 A 14 14 LEU C C 14 176.898 174.657 2.241 1
1 112 . 4 1 1 A 15 15 PRO CA C 15 64.197 62.210 1.987 1
1 113 . 4 1 1 A 15 15 PRO HA H 15 4.505 4.581 -0.076 1
1 114 . 4 1 1 A 15 15 PRO CB C 15 33.625 32.824 0.801 1
1 123 . 4 1 1 A 15 15 PRO C C 15 178.217 176.404 1.813 1
1 124 . 4 1 1 A 16 16 ALA N N 16 123.785 124.561 -0.776 1
1 125 . 4 1 1 A 16 16 ALA H H 16 8.483 8.337 0.146 1
1 126 . 4 1 1 A 16 16 ALA CA C 16 55.949 53.724 2.225 1
1 127 . 4 1 1 A 16 16 ALA HA H 16 4.250 3.974 0.276 1
1 128 . 4 1 1 A 16 16 ALA CB C 16 20.671 18.640 2.031 1
1 132 . 4 1 1 A 16 16 ALA C C 16 180.993 178.310 2.683 1
1 133 . 4 1 1 A 17 17 GLY N N 17 110.361 109.990 0.371 1
1 134 . 4 1 1 A 17 17 GLY H H 17 8.826 9.011 -0.185 1
1 135 . 4 1 1 A 17 17 GLY CA C 17 47.644 45.138 2.506 1
1 136 . 4 1 1 A 17 17 GLY HA2 H 17 3.781 4.022 -0.241 1
1 137 . 4 1 1 A 17 17 GLY HA3 H 17 4.248 4.031 0.217 1
1 138 . 4 1 1 A 17 17 GLY C C 17 175.678 174.502 1.176 1
1 139 . 4 1 1 A 18 18 TRP N N 18 118.683 120.730 -2.047 1
1 140 . 4 1 1 A 18 18 TRP H H 18 7.771 7.832 -0.061 1
1 141 . 4 1 1 A 18 18 TRP CA C 18 59.186 57.800 1.386 1
1 142 . 4 1 1 A 18 18 TRP HA H 18 5.710 4.733 0.977 1
1 143 . 4 1 1 A 18 18 TRP CB C 18 34.117 30.876 3.241 1
1 158 . 4 1 1 A 18 18 TRP C C 18 179.094 175.887 3.207 1
1 159 . 4 1 1 A 19 19 GLU N N 19 122.400 122.736 -0.336 1
1 160 . 4 1 1 A 19 19 GLU H H 19 9.431 8.850 0.581 1
1 161 . 4 1 1 A 19 19 GLU CA C 19 57.452 55.727 1.725 1
1 162 . 4 1 1 A 19 19 GLU HA H 19 4.668 4.755 -0.087 1
1 163 . 4 1 1 A 19 19 GLU CB C 19 36.636 32.788 3.848 1
1 169 . 4 1 1 A 19 19 GLU C C 19 176.242 175.266 0.976 1
1 170 . 4 1 1 A 20 20 LYS N N 20 126.826 123.602 3.224 1
1 171 . 4 1 1 A 20 20 LYS H H 20 8.839 8.419 0.420 1
1 172 . 4 1 1 A 20 20 LYS CA C 20 57.834 56.398 1.436 1
1 173 . 4 1 1 A 20 20 LYS HA H 20 4.396 4.339 0.057 1
1 174 . 4 1 1 A 20 20 LYS CB C 20 36.189 32.775 3.414 1
1 186 . 4 1 1 A 20 20 LYS C C 20 176.986 175.773 1.213 1
1 187 . 4 1 1 A 21 21 ILE N N 21 130.514 122.775 7.739 1
1 188 . 4 1 1 A 21 21 ILE H H 21 8.899 8.422 0.477 1
1 189 . 4 1 1 A 21 21 ILE CA C 21 61.347 59.594 1.753 1
1 190 . 4 1 1 A 21 21 ILE HA H 21 4.062 4.686 -0.624 1
1 191 . 4 1 1 A 21 21 ILE CB C 21 40.504 40.780 -0.276 1
1 204 . 4 1 1 A 21 21 ILE C C 21 176.050 174.729 1.321 1
1 205 . 4 1 1 A 22 22 GLU N N 22 124.786 126.713 -1.927 1
1 206 . 4 1 1 A 22 22 GLU H H 22 8.328 8.731 -0.403 1
1 207 . 4 1 1 A 22 22 GLU CA C 22 56.983 55.102 1.881 1
1 208 . 4 1 1 A 22 22 GLU HA H 22 4.439 5.056 -0.617 1
1 209 . 4 1 1 A 22 22 GLU CB C 22 32.206 30.978 1.228 1
1 215 . 4 1 1 A 22 22 GLU C C 22 176.960 174.897 2.063 1
1 216 . 4 1 1 A 23 23 ASP N N 23 128.273 124.336 3.937 1
1 217 . 4 1 1 A 23 23 ASP H H 23 8.412 8.802 -0.390 1
1 218 . 4 1 1 A 23 23 ASP CA C 23 53.796 50.831 2.965 1
1 219 . 4 1 1 A 23 23 ASP HA H 23 5.093 5.192 -0.099 1
1 220 . 4 1 1 A 23 23 ASP CB C 23 47.804 44.498 3.306 1
1 223 . 4 1 1 A 23 23 ASP C C 23 177.989 175.679 2.310 1
1 224 . 4 1 1 A 24 24 PRO CA C 24 66.947 64.133 2.814 1
1 225 . 4 1 1 A 24 24 PRO HA H 24 4.377 4.533 -0.156 1
1 226 . 4 1 1 A 24 24 PRO CB C 24 34.504 31.787 2.717 1
1 235 . 4 1 1 A 24 24 PRO C C 24 178.884 177.005 1.879 1
1 236 . 4 1 1 A 25 25 VAL N N 25 118.954 115.489 3.465 1
1 237 . 4 1 1 A 25 25 VAL H H 25 8.498 8.170 0.328 1
1 238 . 4 1 1 A 25 25 VAL CA C 25 66.276 63.726 2.550 1
1 239 . 4 1 1 A 25 25 VAL HA H 25 3.885 4.129 -0.244 1
1 240 . 4 1 1 A 25 25 VAL CB C 25 35.312 33.587 1.725 1
1 250 . 4 1 1 A 25 25 VAL C C 25 179.867 177.202 2.665 1
1 251 . 4 1 1 A 26 26 TYR N N 26 118.189 116.599 1.590 1
1 252 . 4 1 1 A 26 26 TYR H H 26 8.623 7.906 0.717 1
1 253 . 4 1 1 A 26 26 TYR CA C 26 61.321 58.303 3.018 1
1 254 . 4 1 1 A 26 26 TYR HA H 26 4.495 4.640 -0.145 1
1 255 . 4 1 1 A 26 26 TYR CB C 26 41.356 39.087 2.269 1
1 266 . 4 1 1 A 26 26 TYR C C 26 178.462 176.633 1.829 1
1 267 . 4 1 1 A 27 27 GLY N N 27 110.334 106.677 3.657 1
1 268 . 4 1 1 A 27 27 GLY H H 27 8.220 8.502 -0.282 1
1 269 . 4 1 1 A 27 27 GLY CA C 27 47.221 45.527 1.694 1
1 270 . 4 1 1 A 27 27 GLY HA2 H 27 3.910 4.183 -0.273 1
1 271 . 4 1 1 A 27 27 GLY HA3 H 27 4.389 4.220 0.169 1
1 272 . 4 1 1 A 27 27 GLY C C 27 175.432 173.665 1.767 1
1 273 . 4 1 1 A 28 28 ILE N N 28 121.398 122.507 -1.109 1
1 274 . 4 1 1 A 28 28 ILE H H 28 8.281 8.297 -0.016 1
1 275 . 4 1 1 A 28 28 ILE CA C 28 63.218 60.701 2.517 1
1 276 . 4 1 1 A 28 28 ILE HA H 28 4.885 5.048 -0.163 1
1 277 . 4 1 1 A 28 28 ILE CB C 28 40.979 38.646 2.333 1
1 290 . 4 1 1 A 28 28 ILE C C 28 179.002 174.575 4.427 1
1 291 . 4 1 1 A 29 29 TYR N N 29 124.797 123.632 1.165 1
1 292 . 4 1 1 A 29 29 TYR H H 29 8.812 8.608 0.204 1
1 293 . 4 1 1 A 29 29 TYR CA C 29 58.567 55.063 3.504 1
1 294 . 4 1 1 A 29 29 TYR HA H 29 4.691 4.925 -0.234 1
1 295 . 4 1 1 A 29 29 TYR CB C 29 41.239 41.588 -0.349 1
1 306 . 4 1 1 A 29 29 TYR C C 29 173.343 172.677 0.666 1
1 307 . 4 1 1 A 30 30 TYR N N 30 117.085 122.556 -5.471 1
1 308 . 4 1 1 A 30 30 TYR H H 30 8.925 8.433 0.492 1
1 309 . 4 1 1 A 30 30 TYR CA C 30 59.179 57.838 1.341 1
1 310 . 4 1 1 A 30 30 TYR HA H 30 5.431 4.956 0.475 1
1 311 . 4 1 1 A 30 30 TYR CB C 30 43.770 39.939 3.831 1
1 322 . 4 1 1 A 30 30 TYR C C 30 177.375 175.513 1.862 1
1 323 . 4 1 1 A 31 31 VAL N N 31 121.450 123.408 -1.958 1
1 324 . 4 1 1 A 31 31 VAL H H 31 9.204 9.252 -0.048 1
1 325 . 4 1 1 A 31 31 VAL CA C 31 62.688 61.182 1.506 1
1 326 . 4 1 1 A 31 31 VAL HA H 31 4.633 4.555 0.078 1
1 327 . 4 1 1 A 31 31 VAL CB C 31 37.509 32.960 4.549 1
1 337 . 4 1 1 A 31 31 VAL C C 31 175.631 173.717 1.914 1
1 338 . 4 1 1 A 32 32 ASP N N 32 126.397 128.072 -1.675 1
1 339 . 4 1 1 A 32 32 ASP H H 32 8.361 8.199 0.162 1
1 340 . 4 1 1 A 32 32 ASP CA C 32 53.716 51.875 1.841 1
1 341 . 4 1 1 A 32 32 ASP HA H 32 3.844 4.603 -0.759 1
1 342 . 4 1 1 A 32 32 ASP CB C 32 41.631 39.903 1.728 1
1 345 . 4 1 1 A 32 32 ASP C C 32 179.908 176.432 3.476 1
1 346 . 4 1 1 A 33 33 HIS N N 33 122.272 122.645 -0.373 1
1 347 . 4 1 1 A 33 33 HIS H H 33 8.636 8.050 0.586 1
1 348 . 4 1 1 A 33 33 HIS CA C 33 60.587 57.417 3.170 1
1 349 . 4 1 1 A 33 33 HIS HA H 33 4.269 4.277 -0.008 1
1 350 . 4 1 1 A 33 33 HIS CB C 33 33.066 28.788 4.278 1
1 357 . 4 1 1 A 33 33 HIS C C 33 178.929 176.975 1.954 1
1 358 . 4 1 1 A 34 34 ILE N N 34 120.451 120.540 -0.089 1
1 359 . 4 1 1 A 34 34 ILE H H 34 8.133 7.946 0.187 1
1 360 . 4 1 1 A 34 34 ILE CA C 34 65.440 63.911 1.529 1
1 361 . 4 1 1 A 34 34 ILE HA H 34 3.880 3.789 0.091 1
1 362 . 4 1 1 A 34 34 ILE CB C 34 39.306 37.909 1.397 1
1 375 . 4 1 1 A 34 34 ILE C C 34 179.561 177.832 1.729 1
1 376 . 4 1 1 A 35 35 ASN N N 35 116.293 117.352 -1.059 1
1 377 . 4 1 1 A 35 35 ASN H H 35 7.748 7.927 -0.179 1
1 378 . 4 1 1 A 35 35 ASN CA C 35 55.406 52.965 2.441 1
1 379 . 4 1 1 A 35 35 ASN HA H 35 4.623 4.736 -0.113 1
1 380 . 4 1 1 A 35 35 ASN CB C 35 41.081 38.814 2.267 1
1 386 . 4 1 1 A 35 35 ASN C C 35 176.331 174.426 1.905 1
1 387 . 4 1 1 A 36 36 ARG N N 36 118.342 116.332 2.010 1
1 388 . 4 1 1 A 36 36 ARG H H 36 7.691 7.900 -0.209 1
1 389 . 4 1 1 A 36 36 ARG CA C 36 58.927 57.007 1.920 1
1 390 . 4 1 1 A 36 36 ARG HA H 36 3.921 4.121 -0.200 1
1 391 . 4 1 1 A 36 36 ARG CB C 36 28.757 26.954 1.803 1
1 400 . 4 1 1 A 36 36 ARG C C 36 177.156 174.310 2.846 1
1 401 . 4 1 1 A 37 37 LYS N N 37 118.394 114.693 3.701 1
1 402 . 4 1 1 A 37 37 LYS H H 37 7.574 7.406 0.168 1
1 403 . 4 1 1 A 37 37 LYS CA C 37 56.975 54.400 2.575 1
1 404 . 4 1 1 A 37 37 LYS HA H 37 4.761 5.021 -0.260 1
1 405 . 4 1 1 A 37 37 LYS CB C 37 38.331 35.244 3.087 1
1 417 . 4 1 1 A 37 37 LYS C C 37 177.346 175.208 2.138 1
1 418 . 4 1 1 A 38 38 THR N N 38 114.847 114.677 0.170 1
1 419 . 4 1 1 A 38 38 THR H H 38 8.348 8.820 -0.472 1
1 420 . 4 1 1 A 38 38 THR CA C 38 63.013 60.891 2.122 1
1 421 . 4 1 1 A 38 38 THR HA H 38 5.369 5.791 -0.422 1
1 422 . 4 1 1 A 38 38 THR CB C 38 73.561 70.533 3.028 1
1 428 . 4 1 1 A 38 38 THR C C 38 176.244 174.012 2.232 1
1 429 . 4 1 1 A 39 39 GLN N N 39 118.695 123.256 -4.561 1
1 430 . 4 1 1 A 39 39 GLN H H 39 9.258 8.577 0.681 1
1 431 . 4 1 1 A 39 39 GLN CA C 39 57.417 54.612 2.805 1
1 432 . 4 1 1 A 39 39 GLN HA H 39 4.862 5.035 -0.173 1
1 433 . 4 1 1 A 39 39 GLN CB C 39 33.937 32.704 1.233 1
1 442 . 4 1 1 A 39 39 GLN C C 39 176.863 175.061 1.802 1
1 443 . 4 1 1 A 40 40 TYR N N 40 119.839 120.912 -1.073 1
1 444 . 4 1 1 A 40 40 TYR H H 40 8.969 9.128 -0.159 1
1 445 . 4 1 1 A 40 40 TYR CA C 40 62.528 59.925 2.603 1
1 446 . 4 1 1 A 40 40 TYR HA H 40 4.737 4.116 0.621 1
1 447 . 4 1 1 A 40 40 TYR CB C 40 41.283 38.344 2.939 1
1 458 . 4 1 1 A 40 40 TYR C C 40 178.553 176.100 2.453 1
1 459 . 4 1 1 A 41 41 GLU N N 41 119.641 118.529 1.112 1
1 460 . 4 1 1 A 41 41 GLU H H 41 8.136 8.092 0.044 1
1 461 . 4 1 1 A 41 41 GLU CA C 41 58.710 56.640 2.070 1
1 462 . 4 1 1 A 41 41 GLU HA H 41 4.357 4.514 -0.157 1
1 463 . 4 1 1 A 41 41 GLU CB C 41 32.272 30.649 1.623 1
1 469 . 4 1 1 A 41 41 GLU C C 41 177.835 175.668 2.167 1
1 470 . 4 1 1 A 42 42 ASN N N 42 123.220 120.788 2.432 1
1 471 . 4 1 1 A 42 42 ASN H H 42 8.597 8.668 -0.071 1
1 472 . 4 1 1 A 42 42 ASN CA C 42 53.458 49.780 3.678 1
1 473 . 4 1 1 A 42 42 ASN HA H 42 4.351 5.465 -1.114 1
1 474 . 4 1 1 A 42 42 ASN CB C 42 40.674 39.950 0.724 1
1 480 . 4 1 1 A 42 42 ASN C C 42 177.142 174.448 2.694 1
1 481 . 4 1 1 A 43 43 PRO CA C 43 65.366 63.391 1.975 1
1 482 . 4 1 1 A 43 43 PRO HA H 43 3.966 4.430 -0.464 1
1 483 . 4 1 1 A 43 43 PRO CB C 43 33.339 31.809 1.530 1
1 488 . 4 1 1 A 43 43 PRO C C 43 178.905 176.368 2.537 1
1 489 . 4 1 1 A 44 44 SER N N 44 116.274 114.002 2.272 1
1 490 . 4 1 1 A 44 44 SER H H 44 8.245 6.991 1.254 1
1 491 . 4 1 1 A 44 44 SER CA C 44 61.072 58.746 2.326 1
1 492 . 4 1 1 A 44 44 SER HA H 44 4.268 4.209 0.059 1
1 493 . 4 1 1 A 44 44 SER CB C 44 65.891 63.949 1.942 1
1 496 . 4 1 1 A 44 44 SER C C 44 176.440 174.392 2.048 1
1 497 . 4 1 1 A 45 45 GLY N N 45 109.785 109.268 0.517 1
1 498 . 4 1 1 A 45 45 GLY H H 45 7.793 8.619 -0.826 1
1 499 . 4 1 1 A 45 45 GLY CA C 45 46.773 44.677 2.096 1
1 500 . 4 1 1 A 45 45 GLY HA2 H 45 4.062 4.096 -0.034 1
1 501 . 4 1 1 A 45 45 GLY HA3 H 45 4.016 4.096 -0.080 1
1 502 . 4 1 1 A 45 45 GLY C C 45 173.701 173.775 -0.074 1
1 503 . 4 1 1 A 46 46 PRO CA C 46 65.308 64.222 1.086 1
1 504 . 4 1 1 A 46 46 PRO HA H 46 4.479 4.387 0.092 1
1 505 . 4 1 1 A 46 46 PRO CB C 46 34.414 31.891 2.523 1
1 514 . 4 1 1 A 46 46 PRO C C 46 179.687 176.901 2.786 1
1 515 . 4 1 1 A 47 47 SER N N 47 116.800 112.773 4.027 1
1 516 . 4 1 1 A 47 47 SER H H 47 8.557 8.056 0.501 1
1 517 . 4 1 1 A 47 47 SER CA C 47 60.610 59.129 1.481 1
1 518 . 4 1 1 A 47 47 SER HA H 47 4.503 4.095 0.408 1
1 519 . 4 1 1 A 47 47 SER CB C 47 66.122 60.934 5.188 1
1 522 . 4 1 1 A 47 47 SER C C 47 177.035 173.249 3.786 1
1 523 . 4 1 1 A 48 48 SER N N 48 118.250 115.076 3.174 1
1 524 . 4 1 1 A 48 48 SER H H 48 8.402 7.802 0.600 1
1 525 . 4 1 1 A 48 48 SER CA C 48 60.804 59.491 1.313 1
1 526 . 4 1 1 A 48 48 SER HA H 48 4.529 4.340 0.189 1
1 527 . 4 1 1 A 48 48 SER CB C 48 66.152 63.139 3.013 1
1 530 . 4 1 1 A 48 48 SER C C 48 176.272 175.003 1.269 1
1 1 . 5 1 1 A 5 5 SER CA C 5 60.635 60.866 -0.231 1
1 2 . 5 1 1 A 5 5 SER HA H 5 4.585 4.330 0.255 1
1 3 . 5 1 1 A 5 5 SER CB C 5 66.298 63.487 2.811 1
1 6 . 5 1 1 A 5 5 SER C C 5 177.168 174.600 2.568 1
1 7 . 5 1 1 A 6 6 SER N N 6 118.338 115.546 2.792 1
1 8 . 5 1 1 A 6 6 SER H H 6 8.569 7.868 0.701 1
1 9 . 5 1 1 A 6 6 SER CA C 6 60.885 57.434 3.451 1
1 10 . 5 1 1 A 6 6 SER HA H 6 4.535 5.030 -0.495 1
1 11 . 5 1 1 A 6 6 SER CB C 6 66.148 64.844 1.304 1
1 14 . 5 1 1 A 6 6 SER C C 6 177.326 173.896 3.430 1
1 15 . 5 1 1 A 7 7 GLY N N 7 111.002 112.182 -1.180 1
1 16 . 5 1 1 A 7 7 GLY H H 7 8.476 8.777 -0.301 1
1 17 . 5 1 1 A 7 7 GLY CA C 7 47.617 45.300 2.317 1
1 18 . 5 1 1 A 7 7 GLY HA2 H 7 4.019 4.187 -0.168 1
1 19 . 5 1 1 A 7 7 GLY HA3 H 7 4.019 4.189 -0.170 1
1 20 . 5 1 1 A 7 7 GLY C C 7 176.492 172.113 4.379 1
1 21 . 5 1 1 A 8 8 LEU N N 8 121.799 126.863 -5.064 1
1 22 . 5 1 1 A 8 8 LEU H H 8 8.193 9.055 -0.862 1
1 23 . 5 1 1 A 8 8 LEU CA C 8 57.462 53.634 3.828 1
1 24 . 5 1 1 A 8 8 LEU HA H 8 4.394 5.302 -0.908 1
1 25 . 5 1 1 A 8 8 LEU CB C 8 44.690 46.012 -1.322 1
1 37 . 5 1 1 A 8 8 LEU C C 8 179.755 174.373 5.382 1
1 38 . 5 1 1 A 9 9 ASP N N 9 121.308 126.151 -4.843 1
1 39 . 5 1 1 A 9 9 ASP H H 9 8.466 8.908 -0.442 1
1 40 . 5 1 1 A 9 9 ASP CA C 9 56.935 54.079 2.856 1
1 41 . 5 1 1 A 9 9 ASP HA H 9 4.606 4.994 -0.388 1
1 42 . 5 1 1 A 9 9 ASP CB C 9 43.197 41.547 1.650 1
1 45 . 5 1 1 A 9 9 ASP C C 9 178.791 176.134 2.657 1
1 46 . 5 1 1 A 10 10 SER N N 10 115.813 120.417 -4.604 1
1 47 . 5 1 1 A 10 10 SER H H 10 8.187 9.065 -0.878 1
1 48 . 5 1 1 A 10 10 SER CA C 10 60.991 57.528 3.463 1
1 49 . 5 1 1 A 10 10 SER HA H 10 4.407 4.723 -0.316 1
1 50 . 5 1 1 A 10 10 SER CB C 10 66.161 63.615 2.546 1
1 53 . 5 1 1 A 10 10 SER C C 10 176.964 174.841 2.123 1
1 54 . 5 1 1 A 11 11 GLU N N 11 122.677 115.811 6.866 1
1 55 . 5 1 1 A 11 11 GLU H H 11 8.443 8.342 0.101 1
1 56 . 5 1 1 A 11 11 GLU CA C 11 58.754 55.687 3.067 1
1 57 . 5 1 1 A 11 11 GLU HA H 11 4.316 4.483 -0.167 1
1 58 . 5 1 1 A 11 11 GLU CB C 11 32.345 30.059 2.286 1
1 64 . 5 1 1 A 11 11 GLU C C 11 178.630 175.826 2.804 1
1 65 . 5 1 1 A 12 12 LEU N N 12 122.751 121.762 0.989 1
1 66 . 5 1 1 A 12 12 LEU H H 12 8.101 7.505 0.596 1
1 67 . 5 1 1 A 12 12 LEU CA C 12 57.200 53.510 3.690 1
1 68 . 5 1 1 A 12 12 LEU HA H 12 4.330 4.776 -0.446 1
1 69 . 5 1 1 A 12 12 LEU CB C 12 44.701 44.917 -0.216 1
1 82 . 5 1 1 A 12 12 LEU C C 12 179.430 176.029 3.401 1
1 83 . 5 1 1 A 13 13 GLU N N 13 122.737 121.470 1.267 1
1 84 . 5 1 1 A 13 13 GLU H H 13 8.361 8.411 -0.050 1
1 85 . 5 1 1 A 13 13 GLU CA C 13 58.512 55.316 3.196 1
1 86 . 5 1 1 A 13 13 GLU HA H 13 4.272 4.570 -0.298 1
1 87 . 5 1 1 A 13 13 GLU CB C 13 32.697 31.341 1.356 1
1 93 . 5 1 1 A 13 13 GLU C C 13 178.439 176.297 2.142 1
1 94 . 5 1 1 A 14 14 LEU N N 14 124.926 121.925 3.001 1
1 95 . 5 1 1 A 14 14 LEU H H 14 8.476 8.434 0.042 1
1 96 . 5 1 1 A 14 14 LEU CA C 14 54.936 52.354 2.582 1
1 97 . 5 1 1 A 14 14 LEU HA H 14 4.513 4.563 -0.050 1
1 98 . 5 1 1 A 14 14 LEU CB C 14 44.202 41.357 2.845 1
1 111 . 5 1 1 A 14 14 LEU C C 14 176.898 174.646 2.252 1
1 112 . 5 1 1 A 15 15 PRO CA C 15 64.197 62.199 1.998 1
1 113 . 5 1 1 A 15 15 PRO HA H 15 4.505 4.583 -0.078 1
1 114 . 5 1 1 A 15 15 PRO CB C 15 33.625 32.834 0.791 1
1 123 . 5 1 1 A 15 15 PRO C C 15 178.217 176.404 1.813 1
1 124 . 5 1 1 A 16 16 ALA N N 16 123.785 124.556 -0.771 1
1 125 . 5 1 1 A 16 16 ALA H H 16 8.483 8.337 0.146 1
1 126 . 5 1 1 A 16 16 ALA CA C 16 55.949 53.654 2.295 1
1 127 . 5 1 1 A 16 16 ALA HA H 16 4.250 3.996 0.254 1
1 128 . 5 1 1 A 16 16 ALA CB C 16 20.671 18.708 1.963 1
1 132 . 5 1 1 A 16 16 ALA C C 16 180.993 178.318 2.675 1
1 133 . 5 1 1 A 17 17 GLY N N 17 110.361 109.990 0.371 1
1 134 . 5 1 1 A 17 17 GLY H H 17 8.826 9.013 -0.187 1
1 135 . 5 1 1 A 17 17 GLY CA C 17 47.644 45.139 2.505 1
1 136 . 5 1 1 A 17 17 GLY HA2 H 17 3.781 4.021 -0.240 1
1 137 . 5 1 1 A 17 17 GLY HA3 H 17 4.248 4.034 0.214 1
1 138 . 5 1 1 A 17 17 GLY C C 17 175.678 174.503 1.175 1
1 139 . 5 1 1 A 18 18 TRP N N 18 118.683 120.725 -2.042 1
1 140 . 5 1 1 A 18 18 TRP H H 18 7.771 7.826 -0.055 1
1 141 . 5 1 1 A 18 18 TRP CA C 18 59.186 57.812 1.374 1
1 142 . 5 1 1 A 18 18 TRP HA H 18 5.710 4.729 0.981 1
1 143 . 5 1 1 A 18 18 TRP CB C 18 34.117 30.872 3.245 1
1 158 . 5 1 1 A 18 18 TRP C C 18 179.094 175.904 3.190 1
1 159 . 5 1 1 A 19 19 GLU N N 19 122.400 122.634 -0.234 1
1 160 . 5 1 1 A 19 19 GLU H H 19 9.431 8.880 0.551 1
1 161 . 5 1 1 A 19 19 GLU CA C 19 57.452 55.600 1.852 1
1 162 . 5 1 1 A 19 19 GLU HA H 19 4.668 4.746 -0.078 1
1 163 . 5 1 1 A 19 19 GLU CB C 19 36.636 32.978 3.658 1
1 169 . 5 1 1 A 19 19 GLU C C 19 176.242 175.124 1.118 1
1 170 . 5 1 1 A 20 20 LYS N N 20 126.826 123.529 3.297 1
1 171 . 5 1 1 A 20 20 LYS H H 20 8.839 8.420 0.419 1
1 172 . 5 1 1 A 20 20 LYS CA C 20 57.834 56.338 1.496 1
1 173 . 5 1 1 A 20 20 LYS HA H 20 4.396 4.393 0.003 1
1 174 . 5 1 1 A 20 20 LYS CB C 20 36.189 32.871 3.318 1
1 186 . 5 1 1 A 20 20 LYS C C 20 176.986 175.750 1.236 1
1 187 . 5 1 1 A 21 21 ILE N N 21 130.514 122.961 7.553 1
1 188 . 5 1 1 A 21 21 ILE H H 21 8.899 8.556 0.343 1
1 189 . 5 1 1 A 21 21 ILE CA C 21 61.347 59.740 1.607 1
1 190 . 5 1 1 A 21 21 ILE HA H 21 4.062 4.654 -0.592 1
1 191 . 5 1 1 A 21 21 ILE CB C 21 40.504 40.552 -0.048 1
1 204 . 5 1 1 A 21 21 ILE C C 21 176.050 174.689 1.361 1
1 205 . 5 1 1 A 22 22 GLU N N 22 124.786 126.921 -2.135 1
1 206 . 5 1 1 A 22 22 GLU H H 22 8.328 8.706 -0.378 1
1 207 . 5 1 1 A 22 22 GLU CA C 22 56.983 55.157 1.826 1
1 208 . 5 1 1 A 22 22 GLU HA H 22 4.439 5.021 -0.582 1
1 209 . 5 1 1 A 22 22 GLU CB C 22 32.206 30.981 1.225 1
1 215 . 5 1 1 A 22 22 GLU C C 22 176.960 174.948 2.012 1
1 216 . 5 1 1 A 23 23 ASP N N 23 128.273 124.511 3.762 1
1 217 . 5 1 1 A 23 23 ASP H H 23 8.412 8.775 -0.363 1
1 218 . 5 1 1 A 23 23 ASP CA C 23 53.796 50.790 3.006 1
1 219 . 5 1 1 A 23 23 ASP HA H 23 5.093 5.176 -0.083 1
1 220 . 5 1 1 A 23 23 ASP CB C 23 47.804 44.412 3.392 1
1 223 . 5 1 1 A 23 23 ASP C C 23 177.989 175.688 2.301 1
1 224 . 5 1 1 A 24 24 PRO CA C 24 66.947 64.149 2.798 1
1 225 . 5 1 1 A 24 24 PRO HA H 24 4.377 4.526 -0.149 1
1 226 . 5 1 1 A 24 24 PRO CB C 24 34.504 31.811 2.693 1
1 235 . 5 1 1 A 24 24 PRO C C 24 178.884 177.004 1.880 1
1 236 . 5 1 1 A 25 25 VAL N N 25 118.954 115.621 3.333 1
1 237 . 5 1 1 A 25 25 VAL H H 25 8.498 8.509 -0.011 1
1 238 . 5 1 1 A 25 25 VAL CA C 25 66.276 63.718 2.558 1
1 239 . 5 1 1 A 25 25 VAL HA H 25 3.885 4.125 -0.240 1
1 240 . 5 1 1 A 25 25 VAL CB C 25 35.312 33.782 1.530 1
1 250 . 5 1 1 A 25 25 VAL C C 25 179.867 177.190 2.677 1
1 251 . 5 1 1 A 26 26 TYR N N 26 118.189 116.706 1.483 1
1 252 . 5 1 1 A 26 26 TYR H H 26 8.623 7.943 0.680 1
1 253 . 5 1 1 A 26 26 TYR CA C 26 61.321 58.412 2.909 1
1 254 . 5 1 1 A 26 26 TYR HA H 26 4.495 4.644 -0.149 1
1 255 . 5 1 1 A 26 26 TYR CB C 26 41.356 39.102 2.254 1
1 266 . 5 1 1 A 26 26 TYR C C 26 178.462 176.636 1.826 1
1 267 . 5 1 1 A 27 27 GLY N N 27 110.334 106.668 3.666 1
1 268 . 5 1 1 A 27 27 GLY H H 27 8.220 8.497 -0.277 1
1 269 . 5 1 1 A 27 27 GLY CA C 27 47.221 45.386 1.835 1
1 270 . 5 1 1 A 27 27 GLY HA2 H 27 3.910 4.184 -0.274 1
1 271 . 5 1 1 A 27 27 GLY HA3 H 27 4.389 4.224 0.165 1
1 272 . 5 1 1 A 27 27 GLY C C 27 175.432 173.657 1.775 1
1 273 . 5 1 1 A 28 28 ILE N N 28 121.398 122.243 -0.845 1
1 274 . 5 1 1 A 28 28 ILE H H 28 8.281 8.287 -0.006 1
1 275 . 5 1 1 A 28 28 ILE CA C 28 63.218 60.685 2.533 1
1 276 . 5 1 1 A 28 28 ILE HA H 28 4.885 5.040 -0.155 1
1 277 . 5 1 1 A 28 28 ILE CB C 28 40.979 38.810 2.169 1
1 290 . 5 1 1 A 28 28 ILE C C 28 179.002 174.606 4.396 1
1 291 . 5 1 1 A 29 29 TYR N N 29 124.797 123.748 1.049 1
1 292 . 5 1 1 A 29 29 TYR H H 29 8.812 8.570 0.242 1
1 293 . 5 1 1 A 29 29 TYR CA C 29 58.567 55.069 3.498 1
1 294 . 5 1 1 A 29 29 TYR HA H 29 4.691 4.956 -0.265 1
1 295 . 5 1 1 A 29 29 TYR CB C 29 41.239 41.705 -0.466 1
1 306 . 5 1 1 A 29 29 TYR C C 29 173.343 172.669 0.674 1
1 307 . 5 1 1 A 30 30 TYR N N 30 117.085 122.339 -5.254 1
1 308 . 5 1 1 A 30 30 TYR H H 30 8.925 8.366 0.559 1
1 309 . 5 1 1 A 30 30 TYR CA C 30 59.179 57.726 1.453 1
1 310 . 5 1 1 A 30 30 TYR HA H 30 5.431 5.082 0.349 1
1 311 . 5 1 1 A 30 30 TYR CB C 30 43.770 39.892 3.878 1
1 322 . 5 1 1 A 30 30 TYR C C 30 177.375 175.490 1.885 1
1 323 . 5 1 1 A 31 31 VAL N N 31 121.450 123.292 -1.842 1
1 324 . 5 1 1 A 31 31 VAL H H 31 9.204 9.397 -0.193 1
1 325 . 5 1 1 A 31 31 VAL CA C 31 62.688 61.170 1.518 1
1 326 . 5 1 1 A 31 31 VAL HA H 31 4.633 4.558 0.075 1
1 327 . 5 1 1 A 31 31 VAL CB C 31 37.509 32.964 4.545 1
1 337 . 5 1 1 A 31 31 VAL C C 31 175.631 173.771 1.860 1
1 338 . 5 1 1 A 32 32 ASP N N 32 126.397 128.073 -1.676 1
1 339 . 5 1 1 A 32 32 ASP H H 32 8.361 8.211 0.150 1
1 340 . 5 1 1 A 32 32 ASP CA C 32 53.716 51.893 1.823 1
1 341 . 5 1 1 A 32 32 ASP HA H 32 3.844 4.609 -0.765 1
1 342 . 5 1 1 A 32 32 ASP CB C 32 41.631 39.910 1.721 1
1 345 . 5 1 1 A 32 32 ASP C C 32 179.908 176.482 3.426 1
1 346 . 5 1 1 A 33 33 HIS N N 33 122.272 122.567 -0.295 1
1 347 . 5 1 1 A 33 33 HIS H H 33 8.636 8.089 0.547 1
1 348 . 5 1 1 A 33 33 HIS CA C 33 60.587 57.587 3.000 1
1 349 . 5 1 1 A 33 33 HIS HA H 33 4.269 4.279 -0.010 1
1 350 . 5 1 1 A 33 33 HIS CB C 33 33.066 28.857 4.209 1
1 357 . 5 1 1 A 33 33 HIS C C 33 178.929 176.968 1.961 1
1 358 . 5 1 1 A 34 34 ILE N N 34 120.451 120.201 0.250 1
1 359 . 5 1 1 A 34 34 ILE H H 34 8.133 7.927 0.206 1
1 360 . 5 1 1 A 34 34 ILE CA C 34 65.440 63.634 1.806 1
1 361 . 5 1 1 A 34 34 ILE HA H 34 3.880 3.801 0.079 1
1 362 . 5 1 1 A 34 34 ILE CB C 34 39.306 37.939 1.367 1
1 375 . 5 1 1 A 34 34 ILE C C 34 179.561 177.838 1.723 1
1 376 . 5 1 1 A 35 35 ASN N N 35 116.293 117.238 -0.945 1
1 377 . 5 1 1 A 35 35 ASN H H 35 7.748 7.868 -0.120 1
1 378 . 5 1 1 A 35 35 ASN CA C 35 55.406 53.012 2.394 1
1 379 . 5 1 1 A 35 35 ASN HA H 35 4.623 4.714 -0.091 1
1 380 . 5 1 1 A 35 35 ASN CB C 35 41.081 38.873 2.208 1
1 386 . 5 1 1 A 35 35 ASN C C 35 176.331 174.506 1.825 1
1 387 . 5 1 1 A 36 36 ARG N N 36 118.342 116.174 2.168 1
1 388 . 5 1 1 A 36 36 ARG H H 36 7.691 7.979 -0.288 1
1 389 . 5 1 1 A 36 36 ARG CA C 36 58.927 57.005 1.922 1
1 390 . 5 1 1 A 36 36 ARG HA H 36 3.921 4.112 -0.191 1
1 391 . 5 1 1 A 36 36 ARG CB C 36 28.757 26.951 1.806 1
1 400 . 5 1 1 A 36 36 ARG C C 36 177.156 174.314 2.842 1
1 401 . 5 1 1 A 37 37 LYS N N 37 118.394 114.675 3.719 1
1 402 . 5 1 1 A 37 37 LYS H H 37 7.574 7.403 0.171 1
1 403 . 5 1 1 A 37 37 LYS CA C 37 56.975 54.394 2.581 1
1 404 . 5 1 1 A 37 37 LYS HA H 37 4.761 5.014 -0.253 1
1 405 . 5 1 1 A 37 37 LYS CB C 37 38.331 35.354 2.977 1
1 417 . 5 1 1 A 37 37 LYS C C 37 177.346 175.224 2.122 1
1 418 . 5 1 1 A 38 38 THR N N 38 114.847 114.857 -0.010 1
1 419 . 5 1 1 A 38 38 THR H H 38 8.348 8.835 -0.487 1
1 420 . 5 1 1 A 38 38 THR CA C 38 63.013 60.868 2.145 1
1 421 . 5 1 1 A 38 38 THR HA H 38 5.369 5.791 -0.422 1
1 422 . 5 1 1 A 38 38 THR CB C 38 73.561 70.525 3.036 1
1 428 . 5 1 1 A 38 38 THR C C 38 176.244 174.000 2.244 1
1 429 . 5 1 1 A 39 39 GLN N N 39 118.695 123.694 -4.999 1
1 430 . 5 1 1 A 39 39 GLN H H 39 9.258 8.541 0.717 1
1 431 . 5 1 1 A 39 39 GLN CA C 39 57.417 54.534 2.883 1
1 432 . 5 1 1 A 39 39 GLN HA H 39 4.862 5.026 -0.164 1
1 433 . 5 1 1 A 39 39 GLN CB C 39 33.937 32.600 1.337 1
1 442 . 5 1 1 A 39 39 GLN C C 39 176.863 175.093 1.770 1
1 443 . 5 1 1 A 40 40 TYR N N 40 119.839 121.249 -1.410 1
1 444 . 5 1 1 A 40 40 TYR H H 40 8.969 9.154 -0.185 1
1 445 . 5 1 1 A 40 40 TYR CA C 40 62.528 59.988 2.540 1
1 446 . 5 1 1 A 40 40 TYR HA H 40 4.737 4.097 0.640 1
1 447 . 5 1 1 A 40 40 TYR CB C 40 41.283 38.300 2.983 1
1 458 . 5 1 1 A 40 40 TYR C C 40 178.553 176.042 2.511 1
1 459 . 5 1 1 A 41 41 GLU N N 41 119.641 118.840 0.801 1
1 460 . 5 1 1 A 41 41 GLU H H 41 8.136 8.101 0.035 1
1 461 . 5 1 1 A 41 41 GLU CA C 41 58.710 56.667 2.043 1
1 462 . 5 1 1 A 41 41 GLU HA H 41 4.357 4.518 -0.161 1
1 463 . 5 1 1 A 41 41 GLU CB C 41 32.272 30.583 1.689 1
1 469 . 5 1 1 A 41 41 GLU C C 41 177.835 175.660 2.175 1
1 470 . 5 1 1 A 42 42 ASN N N 42 123.220 120.777 2.443 1
1 471 . 5 1 1 A 42 42 ASN H H 42 8.597 8.660 -0.063 1
1 472 . 5 1 1 A 42 42 ASN CA C 42 53.458 49.795 3.663 1
1 473 . 5 1 1 A 42 42 ASN HA H 42 4.351 5.456 -1.105 1
1 474 . 5 1 1 A 42 42 ASN CB C 42 40.674 39.916 0.758 1
1 480 . 5 1 1 A 42 42 ASN C C 42 177.142 174.428 2.714 1
1 481 . 5 1 1 A 43 43 PRO CA C 43 65.366 63.437 1.929 1
1 482 . 5 1 1 A 43 43 PRO HA H 43 3.966 4.423 -0.457 1
1 483 . 5 1 1 A 43 43 PRO CB C 43 33.339 31.732 1.607 1
1 488 . 5 1 1 A 43 43 PRO C C 43 178.905 176.329 2.576 1
1 489 . 5 1 1 A 44 44 SER N N 44 116.274 112.818 3.456 1
1 490 . 5 1 1 A 44 44 SER H H 44 8.245 7.162 1.083 1
1 491 . 5 1 1 A 44 44 SER CA C 44 61.072 58.565 2.507 1
1 492 . 5 1 1 A 44 44 SER HA H 44 4.268 4.191 0.077 1
1 493 . 5 1 1 A 44 44 SER CB C 44 65.891 63.526 2.365 1
1 496 . 5 1 1 A 44 44 SER C C 44 176.440 174.776 1.664 1
1 497 . 5 1 1 A 45 45 GLY N N 45 109.785 109.769 0.016 1
1 498 . 5 1 1 A 45 45 GLY H H 45 7.793 8.285 -0.492 1
1 499 . 5 1 1 A 45 45 GLY CA C 45 46.773 44.733 2.040 1
1 500 . 5 1 1 A 45 45 GLY HA2 H 45 4.062 4.153 -0.091 1
1 501 . 5 1 1 A 45 45 GLY HA3 H 45 4.016 4.156 -0.140 1
1 502 . 5 1 1 A 45 45 GLY C C 45 173.701 174.283 -0.582 1
1 503 . 5 1 1 A 46 46 PRO CA C 46 65.308 63.905 1.403 1
1 504 . 5 1 1 A 46 46 PRO HA H 46 4.479 4.465 0.014 1
1 505 . 5 1 1 A 46 46 PRO CB C 46 34.414 31.835 2.579 1
1 514 . 5 1 1 A 46 46 PRO C C 46 179.687 177.613 2.074 1
1 515 . 5 1 1 A 47 47 SER N N 47 116.800 114.187 2.613 1
1 516 . 5 1 1 A 47 47 SER H H 47 8.557 8.522 0.035 1
1 517 . 5 1 1 A 47 47 SER CA C 47 60.610 61.292 -0.682 1
1 518 . 5 1 1 A 47 47 SER HA H 47 4.503 4.296 0.207 1
1 519 . 5 1 1 A 47 47 SER CB C 47 66.122 63.589 2.533 1
1 522 . 5 1 1 A 47 47 SER C C 47 177.035 174.566 2.469 1
1 523 . 5 1 1 A 48 48 SER N N 48 118.250 113.699 4.551 1
1 524 . 5 1 1 A 48 48 SER H H 48 8.402 8.041 0.361 1
1 525 . 5 1 1 A 48 48 SER CA C 48 60.804 56.328 4.476 1
1 526 . 5 1 1 A 48 48 SER HA H 48 4.529 4.839 -0.310 1
1 527 . 5 1 1 A 48 48 SER CB C 48 66.152 65.903 0.249 1
1 530 . 5 1 1 A 48 48 SER C C 48 176.272 173.266 3.006 1
1 1 . 6 1 1 A 5 5 SER CA C 5 60.635 58.608 2.027 1
1 2 . 6 1 1 A 5 5 SER HA H 5 4.585 4.562 0.023 1
1 3 . 6 1 1 A 5 5 SER CB C 5 66.298 62.776 3.522 1
1 6 . 6 1 1 A 5 5 SER C C 5 177.168 175.782 1.386 1
1 7 . 6 1 1 A 6 6 SER N N 6 118.338 118.955 -0.617 1
1 8 . 6 1 1 A 6 6 SER H H 6 8.569 8.621 -0.052 1
1 9 . 6 1 1 A 6 6 SER CA C 6 60.885 60.380 0.505 1
1 10 . 6 1 1 A 6 6 SER HA H 6 4.535 4.184 0.351 1
1 11 . 6 1 1 A 6 6 SER CB C 6 66.148 63.523 2.625 1
1 14 . 6 1 1 A 6 6 SER C C 6 177.326 175.199 2.127 1
1 15 . 6 1 1 A 7 7 GLY N N 7 111.002 109.701 1.301 1
1 16 . 6 1 1 A 7 7 GLY H H 7 8.476 8.031 0.445 1
1 17 . 6 1 1 A 7 7 GLY CA C 7 47.617 46.646 0.971 1
1 18 . 6 1 1 A 7 7 GLY HA2 H 7 4.019 3.953 0.066 1
1 19 . 6 1 1 A 7 7 GLY HA3 H 7 4.019 3.956 0.063 1
1 20 . 6 1 1 A 7 7 GLY C C 7 176.492 174.535 1.957 1
1 21 . 6 1 1 A 8 8 LEU N N 8 121.799 122.390 -0.591 1
1 22 . 6 1 1 A 8 8 LEU H H 8 8.193 8.106 0.087 1
1 23 . 6 1 1 A 8 8 LEU CA C 8 57.462 55.222 2.240 1
1 24 . 6 1 1 A 8 8 LEU HA H 8 4.394 4.427 -0.033 1
1 25 . 6 1 1 A 8 8 LEU CB C 8 44.690 42.522 2.168 1
1 37 . 6 1 1 A 8 8 LEU C C 8 179.755 175.023 4.732 1
1 38 . 6 1 1 A 9 9 ASP N N 9 121.308 127.220 -5.912 1
1 39 . 6 1 1 A 9 9 ASP H H 9 8.466 9.020 -0.554 1
1 40 . 6 1 1 A 9 9 ASP CA C 9 56.935 52.940 3.995 1
1 41 . 6 1 1 A 9 9 ASP HA H 9 4.606 5.234 -0.628 1
1 42 . 6 1 1 A 9 9 ASP CB C 9 43.197 43.928 -0.731 1
1 45 . 6 1 1 A 9 9 ASP C C 9 178.791 175.414 3.377 1
1 46 . 6 1 1 A 10 10 SER N N 10 115.813 117.233 -1.420 1
1 47 . 6 1 1 A 10 10 SER H H 10 8.187 8.789 -0.602 1
1 48 . 6 1 1 A 10 10 SER CA C 10 60.991 58.502 2.489 1
1 49 . 6 1 1 A 10 10 SER HA H 10 4.407 4.636 -0.229 1
1 50 . 6 1 1 A 10 10 SER CB C 10 66.161 63.620 2.541 1
1 53 . 6 1 1 A 10 10 SER C C 10 176.964 174.886 2.078 1
1 54 . 6 1 1 A 11 11 GLU N N 11 122.677 118.981 3.696 1
1 55 . 6 1 1 A 11 11 GLU H H 11 8.443 8.330 0.113 1
1 56 . 6 1 1 A 11 11 GLU CA C 11 58.754 55.714 3.040 1
1 57 . 6 1 1 A 11 11 GLU HA H 11 4.316 4.494 -0.178 1
1 58 . 6 1 1 A 11 11 GLU CB C 11 32.345 30.311 2.034 1
1 64 . 6 1 1 A 11 11 GLU C C 11 178.630 175.810 2.820 1
1 65 . 6 1 1 A 12 12 LEU N N 12 122.751 121.783 0.968 1
1 66 . 6 1 1 A 12 12 LEU H H 12 8.101 7.573 0.528 1
1 67 . 6 1 1 A 12 12 LEU CA C 12 57.200 53.531 3.669 1
1 68 . 6 1 1 A 12 12 LEU HA H 12 4.330 4.805 -0.475 1
1 69 . 6 1 1 A 12 12 LEU CB C 12 44.701 45.681 -0.980 1
1 82 . 6 1 1 A 12 12 LEU C C 12 179.430 175.410 4.020 1
1 83 . 6 1 1 A 13 13 GLU N N 13 122.737 120.684 2.053 1
1 84 . 6 1 1 A 13 13 GLU H H 13 8.361 8.768 -0.407 1
1 85 . 6 1 1 A 13 13 GLU CA C 13 58.512 54.401 4.111 1
1 86 . 6 1 1 A 13 13 GLU HA H 13 4.272 4.705 -0.433 1
1 87 . 6 1 1 A 13 13 GLU CB C 13 32.697 32.551 0.146 1
1 93 . 6 1 1 A 13 13 GLU C C 13 178.439 176.076 2.363 1
1 94 . 6 1 1 A 14 14 LEU N N 14 124.926 122.117 2.809 1
1 95 . 6 1 1 A 14 14 LEU H H 14 8.476 8.546 -0.070 1
1 96 . 6 1 1 A 14 14 LEU CA C 14 54.936 52.759 2.177 1
1 97 . 6 1 1 A 14 14 LEU HA H 14 4.513 4.476 0.037 1
1 98 . 6 1 1 A 14 14 LEU CB C 14 44.202 40.917 3.285 1
1 111 . 6 1 1 A 14 14 LEU C C 14 176.898 174.717 2.181 1
1 112 . 6 1 1 A 15 15 PRO CA C 15 64.197 62.177 2.020 1
1 113 . 6 1 1 A 15 15 PRO HA H 15 4.505 4.568 -0.063 1
1 114 . 6 1 1 A 15 15 PRO CB C 15 33.625 32.812 0.813 1
1 123 . 6 1 1 A 15 15 PRO C C 15 178.217 176.349 1.868 1
1 124 . 6 1 1 A 16 16 ALA N N 16 123.785 124.530 -0.745 1
1 125 . 6 1 1 A 16 16 ALA H H 16 8.483 8.335 0.148 1
1 126 . 6 1 1 A 16 16 ALA CA C 16 55.949 53.575 2.374 1
1 127 . 6 1 1 A 16 16 ALA HA H 16 4.250 3.978 0.272 1
1 128 . 6 1 1 A 16 16 ALA CB C 16 20.671 18.987 1.684 1
1 132 . 6 1 1 A 16 16 ALA C C 16 180.993 178.343 2.650 1
1 133 . 6 1 1 A 17 17 GLY N N 17 110.361 109.925 0.436 1
1 134 . 6 1 1 A 17 17 GLY H H 17 8.826 8.979 -0.153 1
1 135 . 6 1 1 A 17 17 GLY CA C 17 47.644 45.350 2.294 1
1 136 . 6 1 1 A 17 17 GLY HA2 H 17 3.781 4.020 -0.239 1
1 137 . 6 1 1 A 17 17 GLY HA3 H 17 4.248 4.021 0.227 1
1 138 . 6 1 1 A 17 17 GLY C C 17 175.678 174.458 1.220 1
1 139 . 6 1 1 A 18 18 TRP N N 18 118.683 120.667 -1.984 1
1 140 . 6 1 1 A 18 18 TRP H H 18 7.771 7.826 -0.055 1
1 141 . 6 1 1 A 18 18 TRP CA C 18 59.186 57.960 1.226 1
1 142 . 6 1 1 A 18 18 TRP HA H 18 5.710 4.692 1.018 1
1 143 . 6 1 1 A 18 18 TRP CB C 18 34.117 30.857 3.260 1
1 158 . 6 1 1 A 18 18 TRP C C 18 179.094 175.863 3.231 1
1 159 . 6 1 1 A 19 19 GLU N N 19 122.400 122.709 -0.309 1
1 160 . 6 1 1 A 19 19 GLU H H 19 9.431 8.588 0.843 1
1 161 . 6 1 1 A 19 19 GLU CA C 19 57.452 55.764 1.688 1
1 162 . 6 1 1 A 19 19 GLU HA H 19 4.668 4.758 -0.090 1
1 163 . 6 1 1 A 19 19 GLU CB C 19 36.636 33.011 3.625 1
1 169 . 6 1 1 A 19 19 GLU C C 19 176.242 175.306 0.936 1
1 170 . 6 1 1 A 20 20 LYS N N 20 126.826 123.617 3.209 1
1 171 . 6 1 1 A 20 20 LYS H H 20 8.839 8.391 0.448 1
1 172 . 6 1 1 A 20 20 LYS CA C 20 57.834 56.404 1.430 1
1 173 . 6 1 1 A 20 20 LYS HA H 20 4.396 4.333 0.063 1
1 174 . 6 1 1 A 20 20 LYS CB C 20 36.189 32.768 3.421 1
1 186 . 6 1 1 A 20 20 LYS C C 20 176.986 175.925 1.061 1
1 187 . 6 1 1 A 21 21 ILE N N 21 130.514 122.700 7.814 1
1 188 . 6 1 1 A 21 21 ILE H H 21 8.899 8.358 0.541 1
1 189 . 6 1 1 A 21 21 ILE CA C 21 61.347 59.713 1.634 1
1 190 . 6 1 1 A 21 21 ILE HA H 21 4.062 4.653 -0.591 1
1 191 . 6 1 1 A 21 21 ILE CB C 21 40.504 40.787 -0.283 1
1 204 . 6 1 1 A 21 21 ILE C C 21 176.050 174.698 1.352 1
1 205 . 6 1 1 A 22 22 GLU N N 22 124.786 126.922 -2.136 1
1 206 . 6 1 1 A 22 22 GLU H H 22 8.328 8.692 -0.364 1
1 207 . 6 1 1 A 22 22 GLU CA C 22 56.983 55.155 1.828 1
1 208 . 6 1 1 A 22 22 GLU HA H 22 4.439 5.047 -0.608 1
1 209 . 6 1 1 A 22 22 GLU CB C 22 32.206 31.077 1.129 1
1 215 . 6 1 1 A 22 22 GLU C C 22 176.960 174.978 1.982 1
1 216 . 6 1 1 A 23 23 ASP N N 23 128.273 124.233 4.040 1
1 217 . 6 1 1 A 23 23 ASP H H 23 8.412 8.775 -0.363 1
1 218 . 6 1 1 A 23 23 ASP CA C 23 53.796 50.809 2.987 1
1 219 . 6 1 1 A 23 23 ASP HA H 23 5.093 5.160 -0.067 1
1 220 . 6 1 1 A 23 23 ASP CB C 23 47.804 44.473 3.331 1
1 223 . 6 1 1 A 23 23 ASP C C 23 177.989 175.672 2.317 1
1 224 . 6 1 1 A 24 24 PRO CA C 24 66.947 64.140 2.807 1
1 225 . 6 1 1 A 24 24 PRO HA H 24 4.377 4.510 -0.133 1
1 226 . 6 1 1 A 24 24 PRO CB C 24 34.504 31.789 2.715 1
1 235 . 6 1 1 A 24 24 PRO C C 24 178.884 177.089 1.795 1
1 236 . 6 1 1 A 25 25 VAL N N 25 118.954 115.512 3.442 1
1 237 . 6 1 1 A 25 25 VAL H H 25 8.498 8.381 0.117 1
1 238 . 6 1 1 A 25 25 VAL CA C 25 66.276 63.783 2.493 1
1 239 . 6 1 1 A 25 25 VAL HA H 25 3.885 4.064 -0.179 1
1 240 . 6 1 1 A 25 25 VAL CB C 25 35.312 33.491 1.821 1
1 250 . 6 1 1 A 25 25 VAL C C 25 179.867 177.076 2.791 1
1 251 . 6 1 1 A 26 26 TYR N N 26 118.189 116.629 1.560 1
1 252 . 6 1 1 A 26 26 TYR H H 26 8.623 7.938 0.685 1
1 253 . 6 1 1 A 26 26 TYR CA C 26 61.321 58.443 2.878 1
1 254 . 6 1 1 A 26 26 TYR HA H 26 4.495 4.651 -0.156 1
1 255 . 6 1 1 A 26 26 TYR CB C 26 41.356 39.277 2.079 1
1 266 . 6 1 1 A 26 26 TYR C C 26 178.462 176.678 1.784 1
1 267 . 6 1 1 A 27 27 GLY N N 27 110.334 106.667 3.667 1
1 268 . 6 1 1 A 27 27 GLY H H 27 8.220 8.523 -0.303 1
1 269 . 6 1 1 A 27 27 GLY CA C 27 47.221 45.411 1.810 1
1 270 . 6 1 1 A 27 27 GLY HA2 H 27 3.910 4.199 -0.289 1
1 271 . 6 1 1 A 27 27 GLY HA3 H 27 4.389 4.258 0.131 1
1 272 . 6 1 1 A 27 27 GLY C C 27 175.432 173.710 1.722 1
1 273 . 6 1 1 A 28 28 ILE N N 28 121.398 122.542 -1.144 1
1 274 . 6 1 1 A 28 28 ILE H H 28 8.281 8.360 -0.079 1
1 275 . 6 1 1 A 28 28 ILE CA C 28 63.218 60.622 2.596 1
1 276 . 6 1 1 A 28 28 ILE HA H 28 4.885 5.012 -0.127 1
1 277 . 6 1 1 A 28 28 ILE CB C 28 40.979 38.515 2.464 1
1 290 . 6 1 1 A 28 28 ILE C C 28 179.002 174.331 4.671 1
1 291 . 6 1 1 A 29 29 TYR N N 29 124.797 124.072 0.725 1
1 292 . 6 1 1 A 29 29 TYR H H 29 8.812 8.504 0.308 1
1 293 . 6 1 1 A 29 29 TYR CA C 29 58.567 54.850 3.717 1
1 294 . 6 1 1 A 29 29 TYR HA H 29 4.691 4.780 -0.089 1
1 295 . 6 1 1 A 29 29 TYR CB C 29 41.239 41.665 -0.426 1
1 306 . 6 1 1 A 29 29 TYR C C 29 173.343 172.768 0.575 1
1 307 . 6 1 1 A 30 30 TYR N N 30 117.085 122.761 -5.676 1
1 308 . 6 1 1 A 30 30 TYR H H 30 8.925 8.355 0.570 1
1 309 . 6 1 1 A 30 30 TYR CA C 30 59.179 57.730 1.449 1
1 310 . 6 1 1 A 30 30 TYR HA H 30 5.431 4.966 0.465 1
1 311 . 6 1 1 A 30 30 TYR CB C 30 43.770 39.872 3.898 1
1 322 . 6 1 1 A 30 30 TYR C C 30 177.375 175.178 2.197 1
1 323 . 6 1 1 A 31 31 VAL N N 31 121.450 123.548 -2.098 1
1 324 . 6 1 1 A 31 31 VAL H H 31 9.204 9.227 -0.023 1
1 325 . 6 1 1 A 31 31 VAL CA C 31 62.688 61.293 1.395 1
1 326 . 6 1 1 A 31 31 VAL HA H 31 4.633 4.536 0.097 1
1 327 . 6 1 1 A 31 31 VAL CB C 31 37.509 32.903 4.606 1
1 337 . 6 1 1 A 31 31 VAL C C 31 175.631 173.612 2.019 1
1 338 . 6 1 1 A 32 32 ASP N N 32 126.397 128.076 -1.679 1
1 339 . 6 1 1 A 32 32 ASP H H 32 8.361 8.160 0.201 1
1 340 . 6 1 1 A 32 32 ASP CA C 32 53.716 51.804 1.912 1
1 341 . 6 1 1 A 32 32 ASP HA H 32 3.844 4.411 -0.567 1
1 342 . 6 1 1 A 32 32 ASP CB C 32 41.631 39.742 1.889 1
1 345 . 6 1 1 A 32 32 ASP C C 32 179.908 176.239 3.669 1
1 346 . 6 1 1 A 33 33 HIS N N 33 122.272 122.627 -0.355 1
1 347 . 6 1 1 A 33 33 HIS H H 33 8.636 7.998 0.638 1
1 348 . 6 1 1 A 33 33 HIS CA C 33 60.587 57.692 2.895 1
1 349 . 6 1 1 A 33 33 HIS HA H 33 4.269 4.218 0.051 1
1 350 . 6 1 1 A 33 33 HIS CB C 33 33.066 29.058 4.008 1
1 357 . 6 1 1 A 33 33 HIS C C 33 178.929 177.368 1.561 1
1 358 . 6 1 1 A 34 34 ILE N N 34 120.451 120.686 -0.235 1
1 359 . 6 1 1 A 34 34 ILE H H 34 8.133 7.751 0.382 1
1 360 . 6 1 1 A 34 34 ILE CA C 34 65.440 64.510 0.930 1
1 361 . 6 1 1 A 34 34 ILE HA H 34 3.880 3.724 0.156 1
1 362 . 6 1 1 A 34 34 ILE CB C 34 39.306 37.742 1.564 1
1 375 . 6 1 1 A 34 34 ILE C C 34 179.561 178.152 1.409 1
1 376 . 6 1 1 A 35 35 ASN N N 35 116.293 117.380 -1.087 1
1 377 . 6 1 1 A 35 35 ASN H H 35 7.748 7.858 -0.110 1
1 378 . 6 1 1 A 35 35 ASN CA C 35 55.406 53.101 2.305 1
1 379 . 6 1 1 A 35 35 ASN HA H 35 4.623 4.714 -0.091 1
1 380 . 6 1 1 A 35 35 ASN CB C 35 41.081 38.709 2.372 1
1 386 . 6 1 1 A 35 35 ASN C C 35 176.331 174.528 1.803 1
1 387 . 6 1 1 A 36 36 ARG N N 36 118.342 116.151 2.191 1
1 388 . 6 1 1 A 36 36 ARG H H 36 7.691 7.905 -0.214 1
1 389 . 6 1 1 A 36 36 ARG CA C 36 58.927 57.004 1.923 1
1 390 . 6 1 1 A 36 36 ARG HA H 36 3.921 4.068 -0.147 1
1 391 . 6 1 1 A 36 36 ARG CB C 36 28.757 27.035 1.722 1
1 400 . 6 1 1 A 36 36 ARG C C 36 177.156 174.320 2.836 1
1 401 . 6 1 1 A 37 37 LYS N N 37 118.394 114.596 3.798 1
1 402 . 6 1 1 A 37 37 LYS H H 37 7.574 7.371 0.203 1
1 403 . 6 1 1 A 37 37 LYS CA C 37 56.975 54.564 2.411 1
1 404 . 6 1 1 A 37 37 LYS HA H 37 4.761 4.983 -0.222 1
1 405 . 6 1 1 A 37 37 LYS CB C 37 38.331 35.516 2.815 1
1 417 . 6 1 1 A 37 37 LYS C C 37 177.346 175.192 2.154 1
1 418 . 6 1 1 A 38 38 THR N N 38 114.847 114.164 0.683 1
1 419 . 6 1 1 A 38 38 THR H H 38 8.348 8.813 -0.465 1
1 420 . 6 1 1 A 38 38 THR CA C 38 63.013 60.894 2.119 1
1 421 . 6 1 1 A 38 38 THR HA H 38 5.369 5.757 -0.388 1
1 422 . 6 1 1 A 38 38 THR CB C 38 73.561 70.542 3.019 1
1 428 . 6 1 1 A 38 38 THR C C 38 176.244 173.918 2.326 1
1 429 . 6 1 1 A 39 39 GLN N N 39 118.695 123.721 -5.026 1
1 430 . 6 1 1 A 39 39 GLN H H 39 9.258 8.689 0.569 1
1 431 . 6 1 1 A 39 39 GLN CA C 39 57.417 54.646 2.771 1
1 432 . 6 1 1 A 39 39 GLN HA H 39 4.862 5.060 -0.198 1
1 433 . 6 1 1 A 39 39 GLN CB C 39 33.937 32.744 1.193 1
1 442 . 6 1 1 A 39 39 GLN C C 39 176.863 175.056 1.807 1
1 443 . 6 1 1 A 40 40 TYR N N 40 119.839 121.017 -1.178 1
1 444 . 6 1 1 A 40 40 TYR H H 40 8.969 9.093 -0.124 1
1 445 . 6 1 1 A 40 40 TYR CA C 40 62.528 59.798 2.730 1
1 446 . 6 1 1 A 40 40 TYR HA H 40 4.737 4.043 0.694 1
1 447 . 6 1 1 A 40 40 TYR CB C 40 41.283 38.522 2.761 1
1 458 . 6 1 1 A 40 40 TYR C C 40 178.553 176.123 2.430 1
1 459 . 6 1 1 A 41 41 GLU N N 41 119.641 118.805 0.836 1
1 460 . 6 1 1 A 41 41 GLU H H 41 8.136 8.127 0.009 1
1 461 . 6 1 1 A 41 41 GLU CA C 41 58.710 56.787 1.923 1
1 462 . 6 1 1 A 41 41 GLU HA H 41 4.357 4.485 -0.128 1
1 463 . 6 1 1 A 41 41 GLU CB C 41 32.272 30.396 1.876 1
1 469 . 6 1 1 A 41 41 GLU C C 41 177.835 175.762 2.073 1
1 470 . 6 1 1 A 42 42 ASN N N 42 123.220 121.283 1.937 1
1 471 . 6 1 1 A 42 42 ASN H H 42 8.597 8.648 -0.051 1
1 472 . 6 1 1 A 42 42 ASN CA C 42 53.458 49.786 3.672 1
1 473 . 6 1 1 A 42 42 ASN HA H 42 4.351 5.412 -1.061 1
1 474 . 6 1 1 A 42 42 ASN CB C 42 40.674 39.727 0.947 1
1 480 . 6 1 1 A 42 42 ASN C C 42 177.142 174.540 2.602 1
1 481 . 6 1 1 A 43 43 PRO CA C 43 65.366 63.418 1.948 1
1 482 . 6 1 1 A 43 43 PRO HA H 43 3.966 4.431 -0.465 1
1 483 . 6 1 1 A 43 43 PRO CB C 43 33.339 31.759 1.580 1
1 488 . 6 1 1 A 43 43 PRO C C 43 178.905 176.347 2.558 1
1 489 . 6 1 1 A 44 44 SER N N 44 116.274 114.079 2.195 1
1 490 . 6 1 1 A 44 44 SER H H 44 8.245 7.337 0.908 1
1 491 . 6 1 1 A 44 44 SER CA C 44 61.072 58.841 2.231 1
1 492 . 6 1 1 A 44 44 SER HA H 44 4.268 4.194 0.074 1
1 493 . 6 1 1 A 44 44 SER CB C 44 65.891 64.087 1.804 1
1 496 . 6 1 1 A 44 44 SER C C 44 176.440 174.080 2.360 1
1 497 . 6 1 1 A 45 45 GLY N N 45 109.785 108.172 1.613 1
1 498 . 6 1 1 A 45 45 GLY H H 45 7.793 8.668 -0.875 1
1 499 . 6 1 1 A 45 45 GLY CA C 45 46.773 44.213 2.560 1
1 500 . 6 1 1 A 45 45 GLY HA2 H 45 4.062 4.097 -0.035 1
1 501 . 6 1 1 A 45 45 GLY HA3 H 45 4.016 4.099 -0.083 1
1 502 . 6 1 1 A 45 45 GLY C C 45 173.701 172.915 0.786 1
1 503 . 6 1 1 A 46 46 PRO CA C 46 65.308 62.612 2.696 1
1 504 . 6 1 1 A 46 46 PRO HA H 46 4.479 4.793 -0.314 1
1 505 . 6 1 1 A 46 46 PRO CB C 46 34.414 31.498 2.916 1
1 514 . 6 1 1 A 46 46 PRO C C 46 179.687 176.986 2.701 1
1 515 . 6 1 1 A 47 47 SER N N 47 116.800 115.971 0.829 1
1 516 . 6 1 1 A 47 47 SER H H 47 8.557 8.474 0.083 1
1 517 . 6 1 1 A 47 47 SER CA C 47 60.610 58.416 2.194 1
1 518 . 6 1 1 A 47 47 SER HA H 47 4.503 4.423 0.080 1
1 519 . 6 1 1 A 47 47 SER CB C 47 66.122 63.265 2.857 1
1 522 . 6 1 1 A 47 47 SER C C 47 177.035 174.525 2.510 1
1 523 . 6 1 1 A 48 48 SER N N 48 118.250 119.987 -1.737 1
1 524 . 6 1 1 A 48 48 SER H H 48 8.402 8.494 -0.092 1
1 525 . 6 1 1 A 48 48 SER CA C 48 60.804 56.623 4.181 1
1 526 . 6 1 1 A 48 48 SER HA H 48 4.529 5.389 -0.860 1
1 527 . 6 1 1 A 48 48 SER CB C 48 66.152 64.951 1.201 1
1 530 . 6 1 1 A 48 48 SER C C 48 176.272 173.943 2.329 1
1 1 . 7 1 1 A 5 5 SER CA C 5 60.635 57.503 3.132 1
1 2 . 7 1 1 A 5 5 SER HA H 5 4.585 4.980 -0.395 1
1 3 . 7 1 1 A 5 5 SER CB C 5 66.298 65.310 0.988 1
1 6 . 7 1 1 A 5 5 SER C C 5 177.168 174.376 2.792 1
1 7 . 7 1 1 A 6 6 SER N N 6 118.338 122.381 -4.043 1
1 8 . 7 1 1 A 6 6 SER H H 6 8.569 8.903 -0.334 1
1 9 . 7 1 1 A 6 6 SER CA C 6 60.885 61.492 -0.607 1
1 10 . 7 1 1 A 6 6 SER HA H 6 4.535 4.223 0.312 1
1 11 . 7 1 1 A 6 6 SER CB C 6 66.148 63.522 2.626 1
1 14 . 7 1 1 A 6 6 SER C C 6 177.326 174.522 2.804 1
1 15 . 7 1 1 A 7 7 GLY N N 7 111.002 107.457 3.545 1
1 16 . 7 1 1 A 7 7 GLY H H 7 8.476 7.786 0.690 1
1 17 . 7 1 1 A 7 7 GLY CA C 7 47.617 44.995 2.622 1
1 18 . 7 1 1 A 7 7 GLY HA2 H 7 4.019 4.073 -0.054 1
1 19 . 7 1 1 A 7 7 GLY HA3 H 7 4.019 4.074 -0.055 1
1 20 . 7 1 1 A 7 7 GLY C C 7 176.492 172.349 4.143 1
1 21 . 7 1 1 A 8 8 LEU N N 8 121.799 122.746 -0.947 1
1 22 . 7 1 1 A 8 8 LEU H H 8 8.193 8.242 -0.049 1
1 23 . 7 1 1 A 8 8 LEU CA C 8 57.462 54.330 3.132 1
1 24 . 7 1 1 A 8 8 LEU HA H 8 4.394 4.748 -0.354 1
1 25 . 7 1 1 A 8 8 LEU CB C 8 44.690 43.353 1.337 1
1 37 . 7 1 1 A 8 8 LEU C C 8 179.755 176.513 3.242 1
1 38 . 7 1 1 A 9 9 ASP N N 9 121.308 126.675 -5.367 1
1 39 . 7 1 1 A 9 9 ASP H H 9 8.466 8.823 -0.357 1
1 40 . 7 1 1 A 9 9 ASP CA C 9 56.935 53.946 2.989 1
1 41 . 7 1 1 A 9 9 ASP HA H 9 4.606 4.900 -0.294 1
1 42 . 7 1 1 A 9 9 ASP CB C 9 43.197 41.027 2.170 1
1 45 . 7 1 1 A 9 9 ASP C C 9 178.791 176.411 2.380 1
1 46 . 7 1 1 A 10 10 SER N N 10 115.813 114.931 0.882 1
1 47 . 7 1 1 A 10 10 SER H H 10 8.187 8.017 0.170 1
1 48 . 7 1 1 A 10 10 SER CA C 10 60.991 59.250 1.741 1
1 49 . 7 1 1 A 10 10 SER HA H 10 4.407 4.422 -0.015 1
1 50 . 7 1 1 A 10 10 SER CB C 10 66.161 63.111 3.050 1
1 53 . 7 1 1 A 10 10 SER C C 10 176.964 174.847 2.117 1
1 54 . 7 1 1 A 11 11 GLU N N 11 122.677 117.403 5.274 1
1 55 . 7 1 1 A 11 11 GLU H H 11 8.443 8.419 0.024 1
1 56 . 7 1 1 A 11 11 GLU CA C 11 58.754 55.936 2.818 1
1 57 . 7 1 1 A 11 11 GLU HA H 11 4.316 4.347 -0.031 1
1 58 . 7 1 1 A 11 11 GLU CB C 11 32.345 29.404 2.941 1
1 64 . 7 1 1 A 11 11 GLU C C 11 178.630 175.876 2.754 1
1 65 . 7 1 1 A 12 12 LEU N N 12 122.751 122.039 0.712 1
1 66 . 7 1 1 A 12 12 LEU H H 12 8.101 7.101 1.000 1
1 67 . 7 1 1 A 12 12 LEU CA C 12 57.200 53.280 3.920 1
1 68 . 7 1 1 A 12 12 LEU HA H 12 4.330 4.764 -0.434 1
1 69 . 7 1 1 A 12 12 LEU CB C 12 44.701 44.117 0.584 1
1 82 . 7 1 1 A 12 12 LEU C C 12 179.430 176.725 2.705 1
1 83 . 7 1 1 A 13 13 GLU N N 13 122.737 122.168 0.569 1
1 84 . 7 1 1 A 13 13 GLU H H 13 8.361 8.394 -0.033 1
1 85 . 7 1 1 A 13 13 GLU CA C 13 58.512 56.760 1.752 1
1 86 . 7 1 1 A 13 13 GLU HA H 13 4.272 4.286 -0.014 1
1 87 . 7 1 1 A 13 13 GLU CB C 13 32.697 30.648 2.049 1
1 93 . 7 1 1 A 13 13 GLU C C 13 178.439 176.112 2.327 1
1 94 . 7 1 1 A 14 14 LEU N N 14 124.926 122.439 2.487 1
1 95 . 7 1 1 A 14 14 LEU H H 14 8.476 8.144 0.332 1
1 96 . 7 1 1 A 14 14 LEU CA C 14 54.936 52.139 2.797 1
1 97 . 7 1 1 A 14 14 LEU HA H 14 4.513 4.546 -0.033 1
1 98 . 7 1 1 A 14 14 LEU CB C 14 44.202 41.953 2.249 1
1 111 . 7 1 1 A 14 14 LEU C C 14 176.898 174.807 2.091 1
1 112 . 7 1 1 A 15 15 PRO CA C 15 64.197 62.172 2.025 1
1 113 . 7 1 1 A 15 15 PRO HA H 15 4.505 4.574 -0.069 1
1 114 . 7 1 1 A 15 15 PRO CB C 15 33.625 32.987 0.638 1
1 123 . 7 1 1 A 15 15 PRO C C 15 178.217 176.294 1.923 1
1 124 . 7 1 1 A 16 16 ALA N N 16 123.785 124.352 -0.567 1
1 125 . 7 1 1 A 16 16 ALA H H 16 8.483 8.333 0.150 1
1 126 . 7 1 1 A 16 16 ALA CA C 16 55.949 53.409 2.540 1
1 127 . 7 1 1 A 16 16 ALA HA H 16 4.250 3.984 0.266 1
1 128 . 7 1 1 A 16 16 ALA CB C 16 20.671 18.907 1.764 1
1 132 . 7 1 1 A 16 16 ALA C C 16 180.993 178.336 2.657 1
1 133 . 7 1 1 A 17 17 GLY N N 17 110.361 109.963 0.398 1
1 134 . 7 1 1 A 17 17 GLY H H 17 8.826 8.959 -0.133 1
1 135 . 7 1 1 A 17 17 GLY CA C 17 47.644 45.280 2.364 1
1 136 . 7 1 1 A 17 17 GLY HA2 H 17 3.781 4.020 -0.239 1
1 137 . 7 1 1 A 17 17 GLY HA3 H 17 4.248 4.028 0.220 1
1 138 . 7 1 1 A 17 17 GLY C C 17 175.678 174.445 1.233 1
1 139 . 7 1 1 A 18 18 TRP N N 18 118.683 120.722 -2.039 1
1 140 . 7 1 1 A 18 18 TRP H H 18 7.771 7.835 -0.064 1
1 141 . 7 1 1 A 18 18 TRP CA C 18 59.186 58.056 1.130 1
1 142 . 7 1 1 A 18 18 TRP HA H 18 5.710 4.697 1.013 1
1 143 . 7 1 1 A 18 18 TRP CB C 18 34.117 30.298 3.819 1
1 158 . 7 1 1 A 18 18 TRP C C 18 179.094 175.819 3.275 1
1 159 . 7 1 1 A 19 19 GLU N N 19 122.400 123.503 -1.103 1
1 160 . 7 1 1 A 19 19 GLU H H 19 9.431 8.966 0.465 1
1 161 . 7 1 1 A 19 19 GLU CA C 19 57.452 55.138 2.314 1
1 162 . 7 1 1 A 19 19 GLU HA H 19 4.668 4.960 -0.292 1
1 163 . 7 1 1 A 19 19 GLU CB C 19 36.636 33.407 3.229 1
1 169 . 7 1 1 A 19 19 GLU C C 19 176.242 175.289 0.953 1
1 170 . 7 1 1 A 20 20 LYS N N 20 126.826 124.223 2.603 1
1 171 . 7 1 1 A 20 20 LYS H H 20 8.839 8.521 0.318 1
1 172 . 7 1 1 A 20 20 LYS CA C 20 57.834 56.371 1.463 1
1 173 . 7 1 1 A 20 20 LYS HA H 20 4.396 4.376 0.020 1
1 174 . 7 1 1 A 20 20 LYS CB C 20 36.189 32.874 3.315 1
1 186 . 7 1 1 A 20 20 LYS C C 20 176.986 175.858 1.128 1
1 187 . 7 1 1 A 21 21 ILE N N 21 130.514 123.127 7.387 1
1 188 . 7 1 1 A 21 21 ILE H H 21 8.899 8.287 0.612 1
1 189 . 7 1 1 A 21 21 ILE CA C 21 61.347 59.527 1.820 1
1 190 . 7 1 1 A 21 21 ILE HA H 21 4.062 4.685 -0.623 1
1 191 . 7 1 1 A 21 21 ILE CB C 21 40.504 41.301 -0.797 1
1 204 . 7 1 1 A 21 21 ILE C C 21 176.050 174.599 1.451 1
1 205 . 7 1 1 A 22 22 GLU N N 22 124.786 126.454 -1.668 1
1 206 . 7 1 1 A 22 22 GLU H H 22 8.328 8.666 -0.338 1
1 207 . 7 1 1 A 22 22 GLU CA C 22 56.983 55.124 1.859 1
1 208 . 7 1 1 A 22 22 GLU HA H 22 4.439 4.992 -0.553 1
1 209 . 7 1 1 A 22 22 GLU CB C 22 32.206 31.015 1.191 1
1 215 . 7 1 1 A 22 22 GLU C C 22 176.960 174.987 1.973 1
1 216 . 7 1 1 A 23 23 ASP N N 23 128.273 124.154 4.119 1
1 217 . 7 1 1 A 23 23 ASP H H 23 8.412 8.666 -0.254 1
1 218 . 7 1 1 A 23 23 ASP CA C 23 53.796 50.781 3.015 1
1 219 . 7 1 1 A 23 23 ASP HA H 23 5.093 5.156 -0.063 1
1 220 . 7 1 1 A 23 23 ASP CB C 23 47.804 44.168 3.636 1
1 223 . 7 1 1 A 23 23 ASP C C 23 177.989 175.531 2.458 1
1 224 . 7 1 1 A 24 24 PRO CA C 24 66.947 64.137 2.810 1
1 225 . 7 1 1 A 24 24 PRO HA H 24 4.377 4.527 -0.150 1
1 226 . 7 1 1 A 24 24 PRO CB C 24 34.504 31.789 2.715 1
1 235 . 7 1 1 A 24 24 PRO C C 24 178.884 177.087 1.797 1
1 236 . 7 1 1 A 25 25 VAL N N 25 118.954 115.503 3.451 1
1 237 . 7 1 1 A 25 25 VAL H H 25 8.498 8.435 0.063 1
1 238 . 7 1 1 A 25 25 VAL CA C 25 66.276 63.782 2.494 1
1 239 . 7 1 1 A 25 25 VAL HA H 25 3.885 4.121 -0.236 1
1 240 . 7 1 1 A 25 25 VAL CB C 25 35.312 33.579 1.733 1
1 250 . 7 1 1 A 25 25 VAL C C 25 179.867 177.080 2.787 1
1 251 . 7 1 1 A 26 26 TYR N N 26 118.189 116.716 1.473 1
1 252 . 7 1 1 A 26 26 TYR H H 26 8.623 7.992 0.631 1
1 253 . 7 1 1 A 26 26 TYR CA C 26 61.321 58.436 2.885 1
1 254 . 7 1 1 A 26 26 TYR HA H 26 4.495 4.655 -0.160 1
1 255 . 7 1 1 A 26 26 TYR CB C 26 41.356 39.308 2.048 1
1 266 . 7 1 1 A 26 26 TYR C C 26 178.462 176.655 1.807 1
1 267 . 7 1 1 A 27 27 GLY N N 27 110.334 106.669 3.665 1
1 268 . 7 1 1 A 27 27 GLY H H 27 8.220 8.526 -0.306 1
1 269 . 7 1 1 A 27 27 GLY CA C 27 47.221 45.401 1.820 1
1 270 . 7 1 1 A 27 27 GLY HA2 H 27 3.910 4.196 -0.286 1
1 271 . 7 1 1 A 27 27 GLY HA3 H 27 4.389 4.251 0.138 1
1 272 . 7 1 1 A 27 27 GLY C C 27 175.432 173.662 1.770 1
1 273 . 7 1 1 A 28 28 ILE N N 28 121.398 122.200 -0.802 1
1 274 . 7 1 1 A 28 28 ILE H H 28 8.281 8.338 -0.057 1
1 275 . 7 1 1 A 28 28 ILE CA C 28 63.218 60.785 2.433 1
1 276 . 7 1 1 A 28 28 ILE HA H 28 4.885 4.892 -0.007 1
1 277 . 7 1 1 A 28 28 ILE CB C 28 40.979 38.515 2.464 1
1 290 . 7 1 1 A 28 28 ILE C C 28 179.002 174.320 4.682 1
1 291 . 7 1 1 A 29 29 TYR N N 29 124.797 124.550 0.247 1
1 292 . 7 1 1 A 29 29 TYR H H 29 8.812 8.463 0.349 1
1 293 . 7 1 1 A 29 29 TYR CA C 29 58.567 54.880 3.687 1
1 294 . 7 1 1 A 29 29 TYR HA H 29 4.691 4.963 -0.272 1
1 295 . 7 1 1 A 29 29 TYR CB C 29 41.239 41.694 -0.455 1
1 306 . 7 1 1 A 29 29 TYR C C 29 173.343 173.014 0.329 1
1 307 . 7 1 1 A 30 30 TYR N N 30 117.085 122.647 -5.562 1
1 308 . 7 1 1 A 30 30 TYR H H 30 8.925 8.406 0.519 1
1 309 . 7 1 1 A 30 30 TYR CA C 30 59.179 57.832 1.347 1
1 310 . 7 1 1 A 30 30 TYR HA H 30 5.431 4.960 0.471 1
1 311 . 7 1 1 A 30 30 TYR CB C 30 43.770 39.893 3.877 1
1 322 . 7 1 1 A 30 30 TYR C C 30 177.375 175.215 2.160 1
1 323 . 7 1 1 A 31 31 VAL N N 31 121.450 123.515 -2.065 1
1 324 . 7 1 1 A 31 31 VAL H H 31 9.204 9.473 -0.269 1
1 325 . 7 1 1 A 31 31 VAL CA C 31 62.688 61.285 1.403 1
1 326 . 7 1 1 A 31 31 VAL HA H 31 4.633 4.548 0.085 1
1 327 . 7 1 1 A 31 31 VAL CB C 31 37.509 32.827 4.682 1
1 337 . 7 1 1 A 31 31 VAL C C 31 175.631 173.716 1.915 1
1 338 . 7 1 1 A 32 32 ASP N N 32 126.397 128.111 -1.714 1
1 339 . 7 1 1 A 32 32 ASP H H 32 8.361 8.242 0.119 1
1 340 . 7 1 1 A 32 32 ASP CA C 32 53.716 51.870 1.846 1
1 341 . 7 1 1 A 32 32 ASP HA H 32 3.844 4.586 -0.742 1
1 342 . 7 1 1 A 32 32 ASP CB C 32 41.631 39.831 1.800 1
1 345 . 7 1 1 A 32 32 ASP C C 32 179.908 176.340 3.568 1
1 346 . 7 1 1 A 33 33 HIS N N 33 122.272 122.650 -0.378 1
1 347 . 7 1 1 A 33 33 HIS H H 33 8.636 8.191 0.445 1
1 348 . 7 1 1 A 33 33 HIS CA C 33 60.587 57.367 3.220 1
1 349 . 7 1 1 A 33 33 HIS HA H 33 4.269 4.258 0.011 1
1 350 . 7 1 1 A 33 33 HIS CB C 33 33.066 28.896 4.170 1
1 357 . 7 1 1 A 33 33 HIS C C 33 178.929 177.244 1.685 1
1 358 . 7 1 1 A 34 34 ILE N N 34 120.451 120.719 -0.268 1
1 359 . 7 1 1 A 34 34 ILE H H 34 8.133 7.798 0.335 1
1 360 . 7 1 1 A 34 34 ILE CA C 34 65.440 64.399 1.041 1
1 361 . 7 1 1 A 34 34 ILE HA H 34 3.880 3.781 0.099 1
1 362 . 7 1 1 A 34 34 ILE CB C 34 39.306 37.938 1.368 1
1 375 . 7 1 1 A 34 34 ILE C C 34 179.561 177.721 1.840 1
1 376 . 7 1 1 A 35 35 ASN N N 35 116.293 117.094 -0.801 1
1 377 . 7 1 1 A 35 35 ASN H H 35 7.748 7.875 -0.127 1
1 378 . 7 1 1 A 35 35 ASN CA C 35 55.406 52.792 2.614 1
1 379 . 7 1 1 A 35 35 ASN HA H 35 4.623 4.737 -0.114 1
1 380 . 7 1 1 A 35 35 ASN CB C 35 41.081 38.620 2.461 1
1 386 . 7 1 1 A 35 35 ASN C C 35 176.331 174.376 1.955 1
1 387 . 7 1 1 A 36 36 ARG N N 36 118.342 116.382 1.960 1
1 388 . 7 1 1 A 36 36 ARG H H 36 7.691 8.045 -0.354 1
1 389 . 7 1 1 A 36 36 ARG CA C 36 58.927 56.984 1.943 1
1 390 . 7 1 1 A 36 36 ARG HA H 36 3.921 4.129 -0.208 1
1 391 . 7 1 1 A 36 36 ARG CB C 36 28.757 26.953 1.804 1
1 400 . 7 1 1 A 36 36 ARG C C 36 177.156 174.305 2.851 1
1 401 . 7 1 1 A 37 37 LYS N N 37 118.394 114.724 3.670 1
1 402 . 7 1 1 A 37 37 LYS H H 37 7.574 7.407 0.167 1
1 403 . 7 1 1 A 37 37 LYS CA C 37 56.975 54.390 2.585 1
1 404 . 7 1 1 A 37 37 LYS HA H 37 4.761 4.973 -0.212 1
1 405 . 7 1 1 A 37 37 LYS CB C 37 38.331 35.252 3.079 1
1 417 . 7 1 1 A 37 37 LYS C C 37 177.346 175.147 2.199 1
1 418 . 7 1 1 A 38 38 THR N N 38 114.847 114.792 0.055 1
1 419 . 7 1 1 A 38 38 THR H H 38 8.348 8.801 -0.453 1
1 420 . 7 1 1 A 38 38 THR CA C 38 63.013 60.898 2.115 1
1 421 . 7 1 1 A 38 38 THR HA H 38 5.369 5.804 -0.435 1
1 422 . 7 1 1 A 38 38 THR CB C 38 73.561 70.519 3.042 1
1 428 . 7 1 1 A 38 38 THR C C 38 176.244 173.908 2.336 1
1 429 . 7 1 1 A 39 39 GLN N N 39 118.695 123.762 -5.067 1
1 430 . 7 1 1 A 39 39 GLN H H 39 9.258 8.618 0.640 1
1 431 . 7 1 1 A 39 39 GLN CA C 39 57.417 54.653 2.764 1
1 432 . 7 1 1 A 39 39 GLN HA H 39 4.862 5.059 -0.197 1
1 433 . 7 1 1 A 39 39 GLN CB C 39 33.937 32.791 1.146 1
1 442 . 7 1 1 A 39 39 GLN C C 39 176.863 175.098 1.765 1
1 443 . 7 1 1 A 40 40 TYR N N 40 119.839 120.862 -1.023 1
1 444 . 7 1 1 A 40 40 TYR H H 40 8.969 9.093 -0.124 1
1 445 . 7 1 1 A 40 40 TYR CA C 40 62.528 59.917 2.611 1
1 446 . 7 1 1 A 40 40 TYR HA H 40 4.737 4.099 0.638 1
1 447 . 7 1 1 A 40 40 TYR CB C 40 41.283 38.553 2.730 1
1 458 . 7 1 1 A 40 40 TYR C C 40 178.553 176.117 2.436 1
1 459 . 7 1 1 A 41 41 GLU N N 41 119.641 118.618 1.023 1
1 460 . 7 1 1 A 41 41 GLU H H 41 8.136 8.129 0.007 1
1 461 . 7 1 1 A 41 41 GLU CA C 41 58.710 56.793 1.917 1
1 462 . 7 1 1 A 41 41 GLU HA H 41 4.357 4.482 -0.125 1
1 463 . 7 1 1 A 41 41 GLU CB C 41 32.272 30.709 1.563 1
1 469 . 7 1 1 A 41 41 GLU C C 41 177.835 175.672 2.163 1
1 470 . 7 1 1 A 42 42 ASN N N 42 123.220 120.634 2.586 1
1 471 . 7 1 1 A 42 42 ASN H H 42 8.597 8.700 -0.103 1
1 472 . 7 1 1 A 42 42 ASN CA C 42 53.458 49.724 3.734 1
1 473 . 7 1 1 A 42 42 ASN HA H 42 4.351 5.421 -1.070 1
1 474 . 7 1 1 A 42 42 ASN CB C 42 40.674 39.811 0.863 1
1 480 . 7 1 1 A 42 42 ASN C C 42 177.142 174.413 2.729 1
1 481 . 7 1 1 A 43 43 PRO CA C 43 65.366 63.555 1.811 1
1 482 . 7 1 1 A 43 43 PRO HA H 43 3.966 4.527 -0.561 1
1 483 . 7 1 1 A 43 43 PRO CB C 43 33.339 31.517 1.822 1
1 488 . 7 1 1 A 43 43 PRO C C 43 178.905 176.263 2.642 1
1 489 . 7 1 1 A 44 44 SER N N 44 116.274 115.831 0.443 1
1 490 . 7 1 1 A 44 44 SER H H 44 8.245 7.420 0.825 1
1 491 . 7 1 1 A 44 44 SER CA C 44 61.072 59.366 1.706 1
1 492 . 7 1 1 A 44 44 SER HA H 44 4.268 4.111 0.157 1
1 493 . 7 1 1 A 44 44 SER CB C 44 65.891 63.453 2.438 1
1 496 . 7 1 1 A 44 44 SER C C 44 176.440 173.932 2.508 1
1 497 . 7 1 1 A 45 45 GLY N N 45 109.785 112.173 -2.388 1
1 498 . 7 1 1 A 45 45 GLY H H 45 7.793 8.494 -0.701 1
1 499 . 7 1 1 A 45 45 GLY CA C 45 46.773 44.488 2.285 1
1 500 . 7 1 1 A 45 45 GLY HA2 H 45 4.062 4.181 -0.119 1
1 501 . 7 1 1 A 45 45 GLY HA3 H 45 4.016 4.183 -0.167 1
1 502 . 7 1 1 A 45 45 GLY C C 45 173.701 174.019 -0.318 1
1 503 . 7 1 1 A 46 46 PRO CA C 46 65.308 64.458 0.850 1
1 504 . 7 1 1 A 46 46 PRO HA H 46 4.479 4.409 0.070 1
1 505 . 7 1 1 A 46 46 PRO CB C 46 34.414 32.162 2.252 1
1 514 . 7 1 1 A 46 46 PRO C C 46 179.687 175.983 3.704 1
1 515 . 7 1 1 A 47 47 SER N N 47 116.800 109.003 7.797 1
1 516 . 7 1 1 A 47 47 SER H H 47 8.557 7.488 1.069 1
1 517 . 7 1 1 A 47 47 SER CA C 47 60.610 56.192 4.418 1
1 518 . 7 1 1 A 47 47 SER HA H 47 4.503 4.761 -0.258 1
1 519 . 7 1 1 A 47 47 SER CB C 47 66.122 65.797 0.325 1
1 522 . 7 1 1 A 47 47 SER C C 47 177.035 173.959 3.076 1
1 523 . 7 1 1 A 48 48 SER N N 48 118.250 116.471 1.779 1
1 524 . 7 1 1 A 48 48 SER H H 48 8.402 9.090 -0.688 1
1 525 . 7 1 1 A 48 48 SER CA C 48 60.804 59.056 1.748 1
1 526 . 7 1 1 A 48 48 SER HA H 48 4.529 4.151 0.378 1
1 527 . 7 1 1 A 48 48 SER CB C 48 66.152 62.361 3.791 1
1 530 . 7 1 1 A 48 48 SER C C 48 176.272 174.606 1.666 1
1 1 . 8 1 1 A 5 5 SER CA C 5 60.635 62.921 -2.286 1
1 2 . 8 1 1 A 5 5 SER HA H 5 4.585 3.944 0.641 1
1 3 . 8 1 1 A 5 5 SER CB C 5 66.298 62.740 3.558 1
1 6 . 8 1 1 A 5 5 SER C C 5 177.168 174.691 2.477 1
1 7 . 8 1 1 A 6 6 SER N N 6 118.338 115.338 3.000 1
1 8 . 8 1 1 A 6 6 SER H H 6 8.569 8.117 0.452 1
1 9 . 8 1 1 A 6 6 SER CA C 6 60.885 59.191 1.694 1
1 10 . 8 1 1 A 6 6 SER HA H 6 4.535 4.112 0.423 1
1 11 . 8 1 1 A 6 6 SER CB C 6 66.148 61.861 4.287 1
1 14 . 8 1 1 A 6 6 SER C C 6 177.326 173.812 3.514 1
1 15 . 8 1 1 A 7 7 GLY N N 7 111.002 108.017 2.985 1
1 16 . 8 1 1 A 7 7 GLY H H 7 8.476 8.086 0.390 1
1 17 . 8 1 1 A 7 7 GLY CA C 7 47.617 46.198 1.419 1
1 18 . 8 1 1 A 7 7 GLY HA2 H 7 4.019 4.107 -0.088 1
1 19 . 8 1 1 A 7 7 GLY HA3 H 7 4.019 4.109 -0.090 1
1 20 . 8 1 1 A 7 7 GLY C C 7 176.492 172.766 3.726 1
1 21 . 8 1 1 A 8 8 LEU N N 8 121.799 126.050 -4.251 1
1 22 . 8 1 1 A 8 8 LEU H H 8 8.193 8.714 -0.521 1
1 23 . 8 1 1 A 8 8 LEU CA C 8 57.462 54.014 3.448 1
1 24 . 8 1 1 A 8 8 LEU HA H 8 4.394 4.863 -0.469 1
1 25 . 8 1 1 A 8 8 LEU CB C 8 44.690 43.297 1.393 1
1 37 . 8 1 1 A 8 8 LEU C C 8 179.755 175.362 4.393 1
1 38 . 8 1 1 A 9 9 ASP N N 9 121.308 124.563 -3.255 1
1 39 . 8 1 1 A 9 9 ASP H H 9 8.466 8.593 -0.127 1
1 40 . 8 1 1 A 9 9 ASP CA C 9 56.935 52.698 4.237 1
1 41 . 8 1 1 A 9 9 ASP HA H 9 4.606 5.056 -0.450 1
1 42 . 8 1 1 A 9 9 ASP CB C 9 43.197 44.371 -1.174 1
1 45 . 8 1 1 A 9 9 ASP C C 9 178.791 176.220 2.571 1
1 46 . 8 1 1 A 10 10 SER N N 10 115.813 119.443 -3.630 1
1 47 . 8 1 1 A 10 10 SER H H 10 8.187 8.764 -0.577 1
1 48 . 8 1 1 A 10 10 SER CA C 10 60.991 58.536 2.455 1
1 49 . 8 1 1 A 10 10 SER HA H 10 4.407 4.636 -0.229 1
1 50 . 8 1 1 A 10 10 SER CB C 10 66.161 63.188 2.973 1
1 53 . 8 1 1 A 10 10 SER C C 10 176.964 174.642 2.322 1
1 54 . 8 1 1 A 11 11 GLU N N 11 122.677 116.325 6.352 1
1 55 . 8 1 1 A 11 11 GLU H H 11 8.443 8.431 0.012 1
1 56 . 8 1 1 A 11 11 GLU CA C 11 58.754 55.736 3.018 1
1 57 . 8 1 1 A 11 11 GLU HA H 11 4.316 4.411 -0.095 1
1 58 . 8 1 1 A 11 11 GLU CB C 11 32.345 29.642 2.703 1
1 64 . 8 1 1 A 11 11 GLU C C 11 178.630 175.877 2.753 1
1 65 . 8 1 1 A 12 12 LEU N N 12 122.751 122.388 0.363 1
1 66 . 8 1 1 A 12 12 LEU H H 12 8.101 7.564 0.537 1
1 67 . 8 1 1 A 12 12 LEU CA C 12 57.200 53.211 3.989 1
1 68 . 8 1 1 A 12 12 LEU HA H 12 4.330 4.805 -0.475 1
1 69 . 8 1 1 A 12 12 LEU CB C 12 44.701 45.186 -0.485 1
1 82 . 8 1 1 A 12 12 LEU C C 12 179.430 175.727 3.703 1
1 83 . 8 1 1 A 13 13 GLU N N 13 122.737 120.790 1.947 1
1 84 . 8 1 1 A 13 13 GLU H H 13 8.361 8.551 -0.190 1
1 85 . 8 1 1 A 13 13 GLU CA C 13 58.512 54.369 4.143 1
1 86 . 8 1 1 A 13 13 GLU HA H 13 4.272 4.773 -0.501 1
1 87 . 8 1 1 A 13 13 GLU CB C 13 32.697 32.827 -0.130 1
1 93 . 8 1 1 A 13 13 GLU C C 13 178.439 175.241 3.198 1
1 94 . 8 1 1 A 14 14 LEU N N 14 124.926 122.733 2.193 1
1 95 . 8 1 1 A 14 14 LEU H H 14 8.476 8.614 -0.138 1
1 96 . 8 1 1 A 14 14 LEU CA C 14 54.936 52.276 2.660 1
1 97 . 8 1 1 A 14 14 LEU HA H 14 4.513 4.576 -0.063 1
1 98 . 8 1 1 A 14 14 LEU CB C 14 44.202 41.663 2.539 1
1 111 . 8 1 1 A 14 14 LEU C C 14 176.898 174.663 2.235 1
1 112 . 8 1 1 A 15 15 PRO CA C 15 64.197 62.213 1.984 1
1 113 . 8 1 1 A 15 15 PRO HA H 15 4.505 4.584 -0.079 1
1 114 . 8 1 1 A 15 15 PRO CB C 15 33.625 32.828 0.797 1
1 123 . 8 1 1 A 15 15 PRO C C 15 178.217 176.408 1.809 1
1 124 . 8 1 1 A 16 16 ALA N N 16 123.785 124.527 -0.742 1
1 125 . 8 1 1 A 16 16 ALA H H 16 8.483 8.338 0.145 1
1 126 . 8 1 1 A 16 16 ALA CA C 16 55.949 53.687 2.262 1
1 127 . 8 1 1 A 16 16 ALA HA H 16 4.250 3.978 0.272 1
1 128 . 8 1 1 A 16 16 ALA CB C 16 20.671 18.702 1.969 1
1 132 . 8 1 1 A 16 16 ALA C C 16 180.993 178.303 2.690 1
1 133 . 8 1 1 A 17 17 GLY N N 17 110.361 109.987 0.374 1
1 134 . 8 1 1 A 17 17 GLY H H 17 8.826 8.985 -0.159 1
1 135 . 8 1 1 A 17 17 GLY CA C 17 47.644 45.172 2.472 1
1 136 . 8 1 1 A 17 17 GLY HA2 H 17 3.781 4.016 -0.235 1
1 137 . 8 1 1 A 17 17 GLY HA3 H 17 4.248 4.028 0.220 1
1 138 . 8 1 1 A 17 17 GLY C C 17 175.678 174.528 1.150 1
1 139 . 8 1 1 A 18 18 TRP N N 18 118.683 120.718 -2.035 1
1 140 . 8 1 1 A 18 18 TRP H H 18 7.771 7.820 -0.049 1
1 141 . 8 1 1 A 18 18 TRP CA C 18 59.186 57.880 1.306 1
1 142 . 8 1 1 A 18 18 TRP HA H 18 5.710 4.728 0.982 1
1 143 . 8 1 1 A 18 18 TRP CB C 18 34.117 30.744 3.373 1
1 158 . 8 1 1 A 18 18 TRP C C 18 179.094 175.887 3.207 1
1 159 . 8 1 1 A 19 19 GLU N N 19 122.400 122.787 -0.387 1
1 160 . 8 1 1 A 19 19 GLU H H 19 9.431 8.473 0.958 1
1 161 . 8 1 1 A 19 19 GLU CA C 19 57.452 55.698 1.754 1
1 162 . 8 1 1 A 19 19 GLU HA H 19 4.668 4.739 -0.071 1
1 163 . 8 1 1 A 19 19 GLU CB C 19 36.636 32.919 3.717 1
1 169 . 8 1 1 A 19 19 GLU C C 19 176.242 175.270 0.972 1
1 170 . 8 1 1 A 20 20 LYS N N 20 126.826 123.646 3.180 1
1 171 . 8 1 1 A 20 20 LYS H H 20 8.839 8.402 0.437 1
1 172 . 8 1 1 A 20 20 LYS CA C 20 57.834 56.403 1.431 1
1 173 . 8 1 1 A 20 20 LYS HA H 20 4.396 4.347 0.049 1
1 174 . 8 1 1 A 20 20 LYS CB C 20 36.189 32.747 3.442 1
1 186 . 8 1 1 A 20 20 LYS C C 20 176.986 175.781 1.205 1
1 187 . 8 1 1 A 21 21 ILE N N 21 130.514 123.052 7.462 1
1 188 . 8 1 1 A 21 21 ILE H H 21 8.899 8.437 0.462 1
1 189 . 8 1 1 A 21 21 ILE CA C 21 61.347 59.747 1.600 1
1 190 . 8 1 1 A 21 21 ILE HA H 21 4.062 4.665 -0.603 1
1 191 . 8 1 1 A 21 21 ILE CB C 21 40.504 40.646 -0.142 1
1 204 . 8 1 1 A 21 21 ILE C C 21 176.050 174.717 1.333 1
1 205 . 8 1 1 A 22 22 GLU N N 22 124.786 126.843 -2.057 1
1 206 . 8 1 1 A 22 22 GLU H H 22 8.328 8.720 -0.392 1
1 207 . 8 1 1 A 22 22 GLU CA C 22 56.983 55.202 1.781 1
1 208 . 8 1 1 A 22 22 GLU HA H 22 4.439 5.005 -0.566 1
1 209 . 8 1 1 A 22 22 GLU CB C 22 32.206 30.933 1.273 1
1 215 . 8 1 1 A 22 22 GLU C C 22 176.960 174.940 2.020 1
1 216 . 8 1 1 A 23 23 ASP N N 23 128.273 124.251 4.022 1
1 217 . 8 1 1 A 23 23 ASP H H 23 8.412 8.727 -0.315 1
1 218 . 8 1 1 A 23 23 ASP CA C 23 53.796 50.799 2.997 1
1 219 . 8 1 1 A 23 23 ASP HA H 23 5.093 5.191 -0.098 1
1 220 . 8 1 1 A 23 23 ASP CB C 23 47.804 44.397 3.407 1
1 223 . 8 1 1 A 23 23 ASP C C 23 177.989 175.678 2.311 1
1 224 . 8 1 1 A 24 24 PRO CA C 24 66.947 64.150 2.797 1
1 225 . 8 1 1 A 24 24 PRO HA H 24 4.377 4.534 -0.157 1
1 226 . 8 1 1 A 24 24 PRO CB C 24 34.504 31.801 2.703 1
1 235 . 8 1 1 A 24 24 PRO C C 24 178.884 177.006 1.878 1
1 236 . 8 1 1 A 25 25 VAL N N 25 118.954 115.490 3.464 1
1 237 . 8 1 1 A 25 25 VAL H H 25 8.498 8.284 0.214 1
1 238 . 8 1 1 A 25 25 VAL CA C 25 66.276 63.728 2.548 1
1 239 . 8 1 1 A 25 25 VAL HA H 25 3.885 4.129 -0.244 1
1 240 . 8 1 1 A 25 25 VAL CB C 25 35.312 33.588 1.724 1
1 250 . 8 1 1 A 25 25 VAL C C 25 179.867 177.201 2.666 1
1 251 . 8 1 1 A 26 26 TYR N N 26 118.189 116.543 1.646 1
1 252 . 8 1 1 A 26 26 TYR H H 26 8.623 7.936 0.687 1
1 253 . 8 1 1 A 26 26 TYR CA C 26 61.321 58.416 2.905 1
1 254 . 8 1 1 A 26 26 TYR HA H 26 4.495 4.641 -0.146 1
1 255 . 8 1 1 A 26 26 TYR CB C 26 41.356 39.269 2.087 1
1 266 . 8 1 1 A 26 26 TYR C C 26 178.462 176.638 1.824 1
1 267 . 8 1 1 A 27 27 GLY N N 27 110.334 106.660 3.674 1
1 268 . 8 1 1 A 27 27 GLY H H 27 8.220 8.497 -0.277 1
1 269 . 8 1 1 A 27 27 GLY CA C 27 47.221 45.396 1.825 1
1 270 . 8 1 1 A 27 27 GLY HA2 H 27 3.910 4.181 -0.271 1
1 271 . 8 1 1 A 27 27 GLY HA3 H 27 4.389 4.219 0.170 1
1 272 . 8 1 1 A 27 27 GLY C C 27 175.432 173.501 1.931 1
1 273 . 8 1 1 A 28 28 ILE N N 28 121.398 122.233 -0.835 1
1 274 . 8 1 1 A 28 28 ILE H H 28 8.281 8.299 -0.018 1
1 275 . 8 1 1 A 28 28 ILE CA C 28 63.218 60.740 2.478 1
1 276 . 8 1 1 A 28 28 ILE HA H 28 4.885 4.981 -0.096 1
1 277 . 8 1 1 A 28 28 ILE CB C 28 40.979 38.405 2.574 1
1 290 . 8 1 1 A 28 28 ILE C C 28 179.002 174.469 4.533 1
1 291 . 8 1 1 A 29 29 TYR N N 29 124.797 124.338 0.459 1
1 292 . 8 1 1 A 29 29 TYR H H 29 8.812 8.570 0.242 1
1 293 . 8 1 1 A 29 29 TYR CA C 29 58.567 54.967 3.600 1
1 294 . 8 1 1 A 29 29 TYR HA H 29 4.691 4.999 -0.308 1
1 295 . 8 1 1 A 29 29 TYR CB C 29 41.239 41.618 -0.379 1
1 306 . 8 1 1 A 29 29 TYR C C 29 173.343 172.799 0.544 1
1 307 . 8 1 1 A 30 30 TYR N N 30 117.085 122.567 -5.482 1
1 308 . 8 1 1 A 30 30 TYR H H 30 8.925 8.405 0.520 1
1 309 . 8 1 1 A 30 30 TYR CA C 30 59.179 57.823 1.356 1
1 310 . 8 1 1 A 30 30 TYR HA H 30 5.431 4.972 0.459 1
1 311 . 8 1 1 A 30 30 TYR CB C 30 43.770 39.946 3.824 1
1 322 . 8 1 1 A 30 30 TYR C C 30 177.375 175.324 2.051 1
1 323 . 8 1 1 A 31 31 VAL N N 31 121.450 123.501 -2.051 1
1 324 . 8 1 1 A 31 31 VAL H H 31 9.204 9.288 -0.084 1
1 325 . 8 1 1 A 31 31 VAL CA C 31 62.688 61.257 1.431 1
1 326 . 8 1 1 A 31 31 VAL HA H 31 4.633 4.531 0.102 1
1 327 . 8 1 1 A 31 31 VAL CB C 31 37.509 32.857 4.652 1
1 337 . 8 1 1 A 31 31 VAL C C 31 175.631 173.759 1.872 1
1 338 . 8 1 1 A 32 32 ASP N N 32 126.397 128.087 -1.690 1
1 339 . 8 1 1 A 32 32 ASP H H 32 8.361 8.117 0.244 1
1 340 . 8 1 1 A 32 32 ASP CA C 32 53.716 51.863 1.853 1
1 341 . 8 1 1 A 32 32 ASP HA H 32 3.844 4.601 -0.757 1
1 342 . 8 1 1 A 32 32 ASP CB C 32 41.631 39.873 1.758 1
1 345 . 8 1 1 A 32 32 ASP C C 32 179.908 176.521 3.387 1
1 346 . 8 1 1 A 33 33 HIS N N 33 122.272 122.565 -0.293 1
1 347 . 8 1 1 A 33 33 HIS H H 33 8.636 8.034 0.602 1
1 348 . 8 1 1 A 33 33 HIS CA C 33 60.587 57.553 3.034 1
1 349 . 8 1 1 A 33 33 HIS HA H 33 4.269 4.275 -0.006 1
1 350 . 8 1 1 A 33 33 HIS CB C 33 33.066 28.854 4.212 1
1 357 . 8 1 1 A 33 33 HIS C C 33 178.929 177.174 1.755 1
1 358 . 8 1 1 A 34 34 ILE N N 34 120.451 120.607 -0.156 1
1 359 . 8 1 1 A 34 34 ILE H H 34 8.133 7.788 0.345 1
1 360 . 8 1 1 A 34 34 ILE CA C 34 65.440 64.135 1.305 1
1 361 . 8 1 1 A 34 34 ILE HA H 34 3.880 3.779 0.101 1
1 362 . 8 1 1 A 34 34 ILE CB C 34 39.306 37.746 1.560 1
1 375 . 8 1 1 A 34 34 ILE C C 34 179.561 177.704 1.857 1
1 376 . 8 1 1 A 35 35 ASN N N 35 116.293 117.179 -0.886 1
1 377 . 8 1 1 A 35 35 ASN H H 35 7.748 7.880 -0.132 1
1 378 . 8 1 1 A 35 35 ASN CA C 35 55.406 52.991 2.415 1
1 379 . 8 1 1 A 35 35 ASN HA H 35 4.623 4.720 -0.097 1
1 380 . 8 1 1 A 35 35 ASN CB C 35 41.081 38.873 2.208 1
1 386 . 8 1 1 A 35 35 ASN C C 35 176.331 174.489 1.842 1
1 387 . 8 1 1 A 36 36 ARG N N 36 118.342 116.236 2.106 1
1 388 . 8 1 1 A 36 36 ARG H H 36 7.691 7.934 -0.243 1
1 389 . 8 1 1 A 36 36 ARG CA C 36 58.927 57.006 1.921 1
1 390 . 8 1 1 A 36 36 ARG HA H 36 3.921 4.128 -0.207 1
1 391 . 8 1 1 A 36 36 ARG CB C 36 28.757 26.947 1.810 1
1 400 . 8 1 1 A 36 36 ARG C C 36 177.156 174.298 2.858 1
1 401 . 8 1 1 A 37 37 LYS N N 37 118.394 114.714 3.680 1
1 402 . 8 1 1 A 37 37 LYS H H 37 7.574 7.411 0.163 1
1 403 . 8 1 1 A 37 37 LYS CA C 37 56.975 54.401 2.574 1
1 404 . 8 1 1 A 37 37 LYS HA H 37 4.761 5.001 -0.240 1
1 405 . 8 1 1 A 37 37 LYS CB C 37 38.331 35.096 3.235 1
1 417 . 8 1 1 A 37 37 LYS C C 37 177.346 175.282 2.064 1
1 418 . 8 1 1 A 38 38 THR N N 38 114.847 114.712 0.135 1
1 419 . 8 1 1 A 38 38 THR H H 38 8.348 8.780 -0.432 1
1 420 . 8 1 1 A 38 38 THR CA C 38 63.013 60.860 2.153 1
1 421 . 8 1 1 A 38 38 THR HA H 38 5.369 5.700 -0.331 1
1 422 . 8 1 1 A 38 38 THR CB C 38 73.561 70.447 3.114 1
1 428 . 8 1 1 A 38 38 THR C C 38 176.244 174.016 2.228 1
1 429 . 8 1 1 A 39 39 GLN N N 39 118.695 123.241 -4.546 1
1 430 . 8 1 1 A 39 39 GLN H H 39 9.258 8.583 0.675 1
1 431 . 8 1 1 A 39 39 GLN CA C 39 57.417 54.531 2.886 1
1 432 . 8 1 1 A 39 39 GLN HA H 39 4.862 5.042 -0.180 1
1 433 . 8 1 1 A 39 39 GLN CB C 39 33.937 32.531 1.406 1
1 442 . 8 1 1 A 39 39 GLN C C 39 176.863 175.111 1.752 1
1 443 . 8 1 1 A 40 40 TYR N N 40 119.839 121.450 -1.611 1
1 444 . 8 1 1 A 40 40 TYR H H 40 8.969 9.149 -0.180 1
1 445 . 8 1 1 A 40 40 TYR CA C 40 62.528 59.998 2.530 1
1 446 . 8 1 1 A 40 40 TYR HA H 40 4.737 4.091 0.646 1
1 447 . 8 1 1 A 40 40 TYR CB C 40 41.283 38.301 2.982 1
1 458 . 8 1 1 A 40 40 TYR C C 40 178.553 176.024 2.529 1
1 459 . 8 1 1 A 41 41 GLU N N 41 119.641 118.702 0.939 1
1 460 . 8 1 1 A 41 41 GLU H H 41 8.136 8.098 0.038 1
1 461 . 8 1 1 A 41 41 GLU CA C 41 58.710 56.639 2.071 1
1 462 . 8 1 1 A 41 41 GLU HA H 41 4.357 4.514 -0.157 1
1 463 . 8 1 1 A 41 41 GLU CB C 41 32.272 30.582 1.690 1
1 469 . 8 1 1 A 41 41 GLU C C 41 177.835 175.619 2.216 1
1 470 . 8 1 1 A 42 42 ASN N N 42 123.220 120.976 2.244 1
1 471 . 8 1 1 A 42 42 ASN H H 42 8.597 8.727 -0.130 1
1 472 . 8 1 1 A 42 42 ASN CA C 42 53.458 49.774 3.684 1
1 473 . 8 1 1 A 42 42 ASN HA H 42 4.351 5.461 -1.110 1
1 474 . 8 1 1 A 42 42 ASN CB C 42 40.674 39.831 0.843 1
1 480 . 8 1 1 A 42 42 ASN C C 42 177.142 174.500 2.642 1
1 481 . 8 1 1 A 43 43 PRO CA C 43 65.366 63.426 1.940 1
1 482 . 8 1 1 A 43 43 PRO HA H 43 3.966 4.425 -0.459 1
1 483 . 8 1 1 A 43 43 PRO CB C 43 33.339 31.838 1.501 1
1 488 . 8 1 1 A 43 43 PRO C C 43 178.905 176.193 2.712 1
1 489 . 8 1 1 A 44 44 SER N N 44 116.274 116.344 -0.070 1
1 490 . 8 1 1 A 44 44 SER H H 44 8.245 6.982 1.263 1
1 491 . 8 1 1 A 44 44 SER CA C 44 61.072 59.422 1.650 1
1 492 . 8 1 1 A 44 44 SER HA H 44 4.268 4.098 0.170 1
1 493 . 8 1 1 A 44 44 SER CB C 44 65.891 63.404 2.487 1
1 496 . 8 1 1 A 44 44 SER C C 44 176.440 173.952 2.488 1
1 497 . 8 1 1 A 45 45 GLY N N 45 109.785 112.188 -2.403 1
1 498 . 8 1 1 A 45 45 GLY H H 45 7.793 8.415 -0.622 1
1 499 . 8 1 1 A 45 45 GLY CA C 45 46.773 44.512 2.261 1
1 500 . 8 1 1 A 45 45 GLY HA2 H 45 4.062 4.107 -0.045 1
1 501 . 8 1 1 A 45 45 GLY HA3 H 45 4.016 4.110 -0.094 1
1 502 . 8 1 1 A 45 45 GLY C C 45 173.701 171.982 1.719 1
1 503 . 8 1 1 A 46 46 PRO CA C 46 65.308 63.094 2.214 1
1 504 . 8 1 1 A 46 46 PRO HA H 46 4.479 4.279 0.200 1
1 505 . 8 1 1 A 46 46 PRO CB C 46 34.414 32.365 2.049 1
1 514 . 8 1 1 A 46 46 PRO C C 46 179.687 177.146 2.541 1
1 515 . 8 1 1 A 47 47 SER N N 47 116.800 117.643 -0.843 1
1 516 . 8 1 1 A 47 47 SER H H 47 8.557 8.944 -0.387 1
1 517 . 8 1 1 A 47 47 SER CA C 47 60.610 59.226 1.384 1
1 518 . 8 1 1 A 47 47 SER HA H 47 4.503 4.168 0.335 1
1 519 . 8 1 1 A 47 47 SER CB C 47 66.122 62.236 3.886 1
1 522 . 8 1 1 A 47 47 SER C C 47 177.035 174.364 2.671 1
1 523 . 8 1 1 A 48 48 SER N N 48 118.250 114.071 4.179 1
1 524 . 8 1 1 A 48 48 SER H H 48 8.402 7.976 0.426 1
1 525 . 8 1 1 A 48 48 SER CA C 48 60.804 62.377 -1.573 1
1 526 . 8 1 1 A 48 48 SER HA H 48 4.529 4.208 0.321 1
1 527 . 8 1 1 A 48 48 SER CB C 48 66.152 62.865 3.287 1
1 530 . 8 1 1 A 48 48 SER C C 48 176.272 175.547 0.725 1
1 1 . 9 1 1 A 5 5 SER CA C 5 60.635 62.070 -1.435 1
1 2 . 9 1 1 A 5 5 SER HA H 5 4.585 4.344 0.241 1
1 3 . 9 1 1 A 5 5 SER CB C 5 66.298 63.191 3.107 1
1 6 . 9 1 1 A 5 5 SER C C 5 177.168 175.139 2.029 1
1 7 . 9 1 1 A 6 6 SER N N 6 118.338 116.176 2.162 1
1 8 . 9 1 1 A 6 6 SER H H 6 8.569 7.586 0.983 1
1 9 . 9 1 1 A 6 6 SER CA C 6 60.885 59.261 1.624 1
1 10 . 9 1 1 A 6 6 SER HA H 6 4.535 4.490 0.045 1
1 11 . 9 1 1 A 6 6 SER CB C 6 66.148 64.758 1.390 1
1 14 . 9 1 1 A 6 6 SER C C 6 177.326 175.968 1.358 1
1 15 . 9 1 1 A 7 7 GLY N N 7 111.002 111.532 -0.530 1
1 16 . 9 1 1 A 7 7 GLY H H 7 8.476 8.761 -0.285 1
1 17 . 9 1 1 A 7 7 GLY CA C 7 47.617 47.209 0.408 1
1 18 . 9 1 1 A 7 7 GLY HA2 H 7 4.019 3.765 0.254 1
1 19 . 9 1 1 A 7 7 GLY HA3 H 7 4.019 3.766 0.253 1
1 20 . 9 1 1 A 7 7 GLY C C 7 176.492 175.162 1.330 1
1 21 . 9 1 1 A 8 8 LEU N N 8 121.799 116.760 5.039 1
1 22 . 9 1 1 A 8 8 LEU H H 8 8.193 7.944 0.249 1
1 23 . 9 1 1 A 8 8 LEU CA C 8 57.462 56.190 1.272 1
1 24 . 9 1 1 A 8 8 LEU HA H 8 4.394 3.772 0.622 1
1 25 . 9 1 1 A 8 8 LEU CB C 8 44.690 39.656 5.034 1
1 37 . 9 1 1 A 8 8 LEU C C 8 179.755 175.489 4.266 1
1 38 . 9 1 1 A 9 9 ASP N N 9 121.308 119.747 1.561 1
1 39 . 9 1 1 A 9 9 ASP H H 9 8.466 8.108 0.358 1
1 40 . 9 1 1 A 9 9 ASP CA C 9 56.935 54.256 2.679 1
1 41 . 9 1 1 A 9 9 ASP HA H 9 4.606 4.730 -0.124 1
1 42 . 9 1 1 A 9 9 ASP CB C 9 43.197 41.229 1.968 1
1 45 . 9 1 1 A 9 9 ASP C C 9 178.791 175.603 3.188 1
1 46 . 9 1 1 A 10 10 SER N N 10 115.813 120.409 -4.596 1
1 47 . 9 1 1 A 10 10 SER H H 10 8.187 8.660 -0.473 1
1 48 . 9 1 1 A 10 10 SER CA C 10 60.991 58.239 2.752 1
1 49 . 9 1 1 A 10 10 SER HA H 10 4.407 4.794 -0.387 1
1 50 . 9 1 1 A 10 10 SER CB C 10 66.161 63.820 2.341 1
1 53 . 9 1 1 A 10 10 SER C C 10 176.964 174.768 2.196 1
1 54 . 9 1 1 A 11 11 GLU N N 11 122.677 118.228 4.449 1
1 55 . 9 1 1 A 11 11 GLU H H 11 8.443 8.346 0.097 1
1 56 . 9 1 1 A 11 11 GLU CA C 11 58.754 55.728 3.026 1
1 57 . 9 1 1 A 11 11 GLU HA H 11 4.316 4.480 -0.164 1
1 58 . 9 1 1 A 11 11 GLU CB C 11 32.345 29.826 2.519 1
1 64 . 9 1 1 A 11 11 GLU C C 11 178.630 175.874 2.756 1
1 65 . 9 1 1 A 12 12 LEU N N 12 122.751 121.771 0.980 1
1 66 . 9 1 1 A 12 12 LEU H H 12 8.101 7.498 0.603 1
1 67 . 9 1 1 A 12 12 LEU CA C 12 57.200 53.445 3.755 1
1 68 . 9 1 1 A 12 12 LEU HA H 12 4.330 4.760 -0.430 1
1 69 . 9 1 1 A 12 12 LEU CB C 12 44.701 44.434 0.267 1
1 82 . 9 1 1 A 12 12 LEU C C 12 179.430 176.136 3.294 1
1 83 . 9 1 1 A 13 13 GLU N N 13 122.737 122.056 0.681 1
1 84 . 9 1 1 A 13 13 GLU H H 13 8.361 8.431 -0.070 1
1 85 . 9 1 1 A 13 13 GLU CA C 13 58.512 55.581 2.931 1
1 86 . 9 1 1 A 13 13 GLU HA H 13 4.272 4.421 -0.149 1
1 87 . 9 1 1 A 13 13 GLU CB C 13 32.697 31.053 1.644 1
1 93 . 9 1 1 A 13 13 GLU C C 13 178.439 177.162 1.277 1
1 94 . 9 1 1 A 14 14 LEU N N 14 124.926 122.151 2.775 1
1 95 . 9 1 1 A 14 14 LEU H H 14 8.476 8.434 0.042 1
1 96 . 9 1 1 A 14 14 LEU CA C 14 54.936 52.842 2.094 1
1 97 . 9 1 1 A 14 14 LEU HA H 14 4.513 4.496 0.017 1
1 98 . 9 1 1 A 14 14 LEU CB C 14 44.202 40.928 3.274 1
1 111 . 9 1 1 A 14 14 LEU C C 14 176.898 174.696 2.202 1
1 112 . 9 1 1 A 15 15 PRO CA C 15 64.197 62.177 2.020 1
1 113 . 9 1 1 A 15 15 PRO HA H 15 4.505 4.568 -0.063 1
1 114 . 9 1 1 A 15 15 PRO CB C 15 33.625 32.809 0.816 1
1 123 . 9 1 1 A 15 15 PRO C C 15 178.217 176.349 1.868 1
1 124 . 9 1 1 A 16 16 ALA N N 16 123.785 124.534 -0.749 1
1 125 . 9 1 1 A 16 16 ALA H H 16 8.483 8.335 0.148 1
1 126 . 9 1 1 A 16 16 ALA CA C 16 55.949 53.581 2.368 1
1 127 . 9 1 1 A 16 16 ALA HA H 16 4.250 3.977 0.273 1
1 128 . 9 1 1 A 16 16 ALA CB C 16 20.671 18.992 1.679 1
1 132 . 9 1 1 A 16 16 ALA C C 16 180.993 178.343 2.650 1
1 133 . 9 1 1 A 17 17 GLY N N 17 110.361 109.928 0.433 1
1 134 . 9 1 1 A 17 17 GLY H H 17 8.826 8.918 -0.092 1
1 135 . 9 1 1 A 17 17 GLY CA C 17 47.644 45.380 2.264 1
1 136 . 9 1 1 A 17 17 GLY HA2 H 17 3.781 4.020 -0.239 1
1 137 . 9 1 1 A 17 17 GLY HA3 H 17 4.248 4.022 0.226 1
1 138 . 9 1 1 A 17 17 GLY C C 17 175.678 174.446 1.232 1
1 139 . 9 1 1 A 18 18 TRP N N 18 118.683 120.665 -1.982 1
1 140 . 9 1 1 A 18 18 TRP H H 18 7.771 7.820 -0.049 1
1 141 . 9 1 1 A 18 18 TRP CA C 18 59.186 57.914 1.272 1
1 142 . 9 1 1 A 18 18 TRP HA H 18 5.710 4.702 1.008 1
1 143 . 9 1 1 A 18 18 TRP CB C 18 34.117 30.904 3.213 1
1 158 . 9 1 1 A 18 18 TRP C C 18 179.094 175.900 3.194 1
1 159 . 9 1 1 A 19 19 GLU N N 19 122.400 122.481 -0.081 1
1 160 . 9 1 1 A 19 19 GLU H H 19 9.431 8.538 0.893 1
1 161 . 9 1 1 A 19 19 GLU CA C 19 57.452 55.673 1.779 1
1 162 . 9 1 1 A 19 19 GLU HA H 19 4.668 4.764 -0.096 1
1 163 . 9 1 1 A 19 19 GLU CB C 19 36.636 32.956 3.680 1
1 169 . 9 1 1 A 19 19 GLU C C 19 176.242 175.269 0.973 1
1 170 . 9 1 1 A 20 20 LYS N N 20 126.826 123.507 3.319 1
1 171 . 9 1 1 A 20 20 LYS H H 20 8.839 8.401 0.438 1
1 172 . 9 1 1 A 20 20 LYS CA C 20 57.834 56.299 1.535 1
1 173 . 9 1 1 A 20 20 LYS HA H 20 4.396 4.370 0.026 1
1 174 . 9 1 1 A 20 20 LYS CB C 20 36.189 32.846 3.343 1
1 186 . 9 1 1 A 20 20 LYS C C 20 176.986 175.880 1.106 1
1 187 . 9 1 1 A 21 21 ILE N N 21 130.514 122.471 8.043 1
1 188 . 9 1 1 A 21 21 ILE H H 21 8.899 8.288 0.611 1
1 189 . 9 1 1 A 21 21 ILE CA C 21 61.347 59.686 1.661 1
1 190 . 9 1 1 A 21 21 ILE HA H 21 4.062 4.701 -0.639 1
1 191 . 9 1 1 A 21 21 ILE CB C 21 40.504 41.095 -0.591 1
1 204 . 9 1 1 A 21 21 ILE C C 21 176.050 174.729 1.321 1
1 205 . 9 1 1 A 22 22 GLU N N 22 124.786 126.802 -2.016 1
1 206 . 9 1 1 A 22 22 GLU H H 22 8.328 8.735 -0.407 1
1 207 . 9 1 1 A 22 22 GLU CA C 22 56.983 55.161 1.822 1
1 208 . 9 1 1 A 22 22 GLU HA H 22 4.439 5.019 -0.580 1
1 209 . 9 1 1 A 22 22 GLU CB C 22 32.206 30.989 1.217 1
1 215 . 9 1 1 A 22 22 GLU C C 22 176.960 174.954 2.006 1
1 216 . 9 1 1 A 23 23 ASP N N 23 128.273 124.525 3.748 1
1 217 . 9 1 1 A 23 23 ASP H H 23 8.412 8.787 -0.375 1
1 218 . 9 1 1 A 23 23 ASP CA C 23 53.796 50.773 3.023 1
1 219 . 9 1 1 A 23 23 ASP HA H 23 5.093 5.195 -0.102 1
1 220 . 9 1 1 A 23 23 ASP CB C 23 47.804 44.388 3.416 1
1 223 . 9 1 1 A 23 23 ASP C C 23 177.989 175.564 2.425 1
1 224 . 9 1 1 A 24 24 PRO CA C 24 66.947 64.147 2.800 1
1 225 . 9 1 1 A 24 24 PRO HA H 24 4.377 4.533 -0.156 1
1 226 . 9 1 1 A 24 24 PRO CB C 24 34.504 31.761 2.743 1
1 235 . 9 1 1 A 24 24 PRO C C 24 178.884 177.008 1.876 1
1 236 . 9 1 1 A 25 25 VAL N N 25 118.954 115.626 3.328 1
1 237 . 9 1 1 A 25 25 VAL H H 25 8.498 8.458 0.040 1
1 238 . 9 1 1 A 25 25 VAL CA C 25 66.276 63.713 2.563 1
1 239 . 9 1 1 A 25 25 VAL HA H 25 3.885 4.160 -0.275 1
1 240 . 9 1 1 A 25 25 VAL CB C 25 35.312 33.818 1.494 1
1 250 . 9 1 1 A 25 25 VAL C C 25 179.867 177.181 2.686 1
1 251 . 9 1 1 A 26 26 TYR N N 26 118.189 116.697 1.492 1
1 252 . 9 1 1 A 26 26 TYR H H 26 8.623 8.142 0.481 1
1 253 . 9 1 1 A 26 26 TYR CA C 26 61.321 58.316 3.005 1
1 254 . 9 1 1 A 26 26 TYR HA H 26 4.495 4.640 -0.145 1
1 255 . 9 1 1 A 26 26 TYR CB C 26 41.356 39.288 2.068 1
1 266 . 9 1 1 A 26 26 TYR C C 26 178.462 176.653 1.809 1
1 267 . 9 1 1 A 27 27 GLY N N 27 110.334 106.663 3.671 1
1 268 . 9 1 1 A 27 27 GLY H H 27 8.220 8.513 -0.293 1
1 269 . 9 1 1 A 27 27 GLY CA C 27 47.221 45.413 1.808 1
1 270 . 9 1 1 A 27 27 GLY HA2 H 27 3.910 4.202 -0.292 1
1 271 . 9 1 1 A 27 27 GLY HA3 H 27 4.389 4.264 0.125 1
1 272 . 9 1 1 A 27 27 GLY C C 27 175.432 173.718 1.714 1
1 273 . 9 1 1 A 28 28 ILE N N 28 121.398 122.288 -0.890 1
1 274 . 9 1 1 A 28 28 ILE H H 28 8.281 8.367 -0.086 1
1 275 . 9 1 1 A 28 28 ILE CA C 28 63.218 60.625 2.593 1
1 276 . 9 1 1 A 28 28 ILE HA H 28 4.885 5.044 -0.159 1
1 277 . 9 1 1 A 28 28 ILE CB C 28 40.979 38.515 2.464 1
1 290 . 9 1 1 A 28 28 ILE C C 28 179.002 174.313 4.689 1
1 291 . 9 1 1 A 29 29 TYR N N 29 124.797 124.253 0.544 1
1 292 . 9 1 1 A 29 29 TYR H H 29 8.812 8.532 0.280 1
1 293 . 9 1 1 A 29 29 TYR CA C 29 58.567 54.850 3.717 1
1 294 . 9 1 1 A 29 29 TYR HA H 29 4.691 4.790 -0.099 1
1 295 . 9 1 1 A 29 29 TYR CB C 29 41.239 41.731 -0.492 1
1 306 . 9 1 1 A 29 29 TYR C C 29 173.343 172.806 0.537 1
1 307 . 9 1 1 A 30 30 TYR N N 30 117.085 122.405 -5.320 1
1 308 . 9 1 1 A 30 30 TYR H H 30 8.925 8.766 0.159 1
1 309 . 9 1 1 A 30 30 TYR CA C 30 59.179 57.764 1.415 1
1 310 . 9 1 1 A 30 30 TYR HA H 30 5.431 4.958 0.473 1
1 311 . 9 1 1 A 30 30 TYR CB C 30 43.770 39.874 3.896 1
1 322 . 9 1 1 A 30 30 TYR C C 30 177.375 175.162 2.213 1
1 323 . 9 1 1 A 31 31 VAL N N 31 121.450 123.548 -2.098 1
1 324 . 9 1 1 A 31 31 VAL H H 31 9.204 9.392 -0.188 1
1 325 . 9 1 1 A 31 31 VAL CA C 31 62.688 61.346 1.342 1
1 326 . 9 1 1 A 31 31 VAL HA H 31 4.633 4.529 0.104 1
1 327 . 9 1 1 A 31 31 VAL CB C 31 37.509 32.882 4.627 1
1 337 . 9 1 1 A 31 31 VAL C C 31 175.631 173.637 1.994 1
1 338 . 9 1 1 A 32 32 ASP N N 32 126.397 128.105 -1.708 1
1 339 . 9 1 1 A 32 32 ASP H H 32 8.361 8.206 0.155 1
1 340 . 9 1 1 A 32 32 ASP CA C 32 53.716 51.849 1.867 1
1 341 . 9 1 1 A 32 32 ASP HA H 32 3.844 4.437 -0.593 1
1 342 . 9 1 1 A 32 32 ASP CB C 32 41.631 39.795 1.836 1
1 345 . 9 1 1 A 32 32 ASP C C 32 179.908 176.329 3.579 1
1 346 . 9 1 1 A 33 33 HIS N N 33 122.272 122.644 -0.372 1
1 347 . 9 1 1 A 33 33 HIS H H 33 8.636 8.011 0.625 1
1 348 . 9 1 1 A 33 33 HIS CA C 33 60.587 57.648 2.939 1
1 349 . 9 1 1 A 33 33 HIS HA H 33 4.269 4.221 0.048 1
1 350 . 9 1 1 A 33 33 HIS CB C 33 33.066 29.091 3.975 1
1 357 . 9 1 1 A 33 33 HIS C C 33 178.929 177.269 1.660 1
1 358 . 9 1 1 A 34 34 ILE N N 34 120.451 120.884 -0.433 1
1 359 . 9 1 1 A 34 34 ILE H H 34 8.133 8.049 0.084 1
1 360 . 9 1 1 A 34 34 ILE CA C 34 65.440 64.590 0.850 1
1 361 . 9 1 1 A 34 34 ILE HA H 34 3.880 3.779 0.101 1
1 362 . 9 1 1 A 34 34 ILE CB C 34 39.306 37.957 1.349 1
1 375 . 9 1 1 A 34 34 ILE C C 34 179.561 177.791 1.770 1
1 376 . 9 1 1 A 35 35 ASN N N 35 116.293 117.095 -0.802 1
1 377 . 9 1 1 A 35 35 ASN H H 35 7.748 8.103 -0.355 1
1 378 . 9 1 1 A 35 35 ASN CA C 35 55.406 52.809 2.597 1
1 379 . 9 1 1 A 35 35 ASN HA H 35 4.623 4.745 -0.122 1
1 380 . 9 1 1 A 35 35 ASN CB C 35 41.081 38.723 2.358 1
1 386 . 9 1 1 A 35 35 ASN C C 35 176.331 174.389 1.942 1
1 387 . 9 1 1 A 36 36 ARG N N 36 118.342 116.363 1.979 1
1 388 . 9 1 1 A 36 36 ARG H H 36 7.691 8.079 -0.388 1
1 389 . 9 1 1 A 36 36 ARG CA C 36 58.927 57.003 1.924 1
1 390 . 9 1 1 A 36 36 ARG HA H 36 3.921 4.130 -0.209 1
1 391 . 9 1 1 A 36 36 ARG CB C 36 28.757 26.956 1.801 1
1 400 . 9 1 1 A 36 36 ARG C C 36 177.156 174.324 2.832 1
1 401 . 9 1 1 A 37 37 LYS N N 37 118.394 114.657 3.737 1
1 402 . 9 1 1 A 37 37 LYS H H 37 7.574 7.389 0.185 1
1 403 . 9 1 1 A 37 37 LYS CA C 37 56.975 54.534 2.441 1
1 404 . 9 1 1 A 37 37 LYS HA H 37 4.761 4.987 -0.226 1
1 405 . 9 1 1 A 37 37 LYS CB C 37 38.331 35.452 2.879 1
1 417 . 9 1 1 A 37 37 LYS C C 37 177.346 175.234 2.112 1
1 418 . 9 1 1 A 38 38 THR N N 38 114.847 114.184 0.663 1
1 419 . 9 1 1 A 38 38 THR H H 38 8.348 8.834 -0.486 1
1 420 . 9 1 1 A 38 38 THR CA C 38 63.013 60.884 2.129 1
1 421 . 9 1 1 A 38 38 THR HA H 38 5.369 5.838 -0.469 1
1 422 . 9 1 1 A 38 38 THR CB C 38 73.561 70.539 3.022 1
1 428 . 9 1 1 A 38 38 THR C C 38 176.244 173.902 2.342 1
1 429 . 9 1 1 A 39 39 GLN N N 39 118.695 123.828 -5.133 1
1 430 . 9 1 1 A 39 39 GLN H H 39 9.258 8.648 0.610 1
1 431 . 9 1 1 A 39 39 GLN CA C 39 57.417 54.462 2.955 1
1 432 . 9 1 1 A 39 39 GLN HA H 39 4.862 5.052 -0.190 1
1 433 . 9 1 1 A 39 39 GLN CB C 39 33.937 32.547 1.390 1
1 442 . 9 1 1 A 39 39 GLN C C 39 176.863 175.080 1.783 1
1 443 . 9 1 1 A 40 40 TYR N N 40 119.839 121.250 -1.411 1
1 444 . 9 1 1 A 40 40 TYR H H 40 8.969 9.024 -0.055 1
1 445 . 9 1 1 A 40 40 TYR CA C 40 62.528 59.926 2.602 1
1 446 . 9 1 1 A 40 40 TYR HA H 40 4.737 3.991 0.746 1
1 447 . 9 1 1 A 40 40 TYR CB C 40 41.283 38.621 2.662 1
1 458 . 9 1 1 A 40 40 TYR C C 40 178.553 176.093 2.460 1
1 459 . 9 1 1 A 41 41 GLU N N 41 119.641 119.015 0.626 1
1 460 . 9 1 1 A 41 41 GLU H H 41 8.136 8.148 -0.012 1
1 461 . 9 1 1 A 41 41 GLU CA C 41 58.710 56.740 1.970 1
1 462 . 9 1 1 A 41 41 GLU HA H 41 4.357 4.481 -0.124 1
1 463 . 9 1 1 A 41 41 GLU CB C 41 32.272 30.399 1.873 1
1 469 . 9 1 1 A 41 41 GLU C C 41 177.835 175.692 2.143 1
1 470 . 9 1 1 A 42 42 ASN N N 42 123.220 120.830 2.390 1
1 471 . 9 1 1 A 42 42 ASN H H 42 8.597 8.712 -0.115 1
1 472 . 9 1 1 A 42 42 ASN CA C 42 53.458 49.777 3.681 1
1 473 . 9 1 1 A 42 42 ASN HA H 42 4.351 5.380 -1.029 1
1 474 . 9 1 1 A 42 42 ASN CB C 42 40.674 39.739 0.935 1
1 480 . 9 1 1 A 42 42 ASN C C 42 177.142 174.554 2.588 1
1 481 . 9 1 1 A 43 43 PRO CA C 43 65.366 63.940 1.426 1
1 482 . 9 1 1 A 43 43 PRO HA H 43 3.966 4.374 -0.408 1
1 483 . 9 1 1 A 43 43 PRO CB C 43 33.339 31.449 1.890 1
1 488 . 9 1 1 A 43 43 PRO C C 43 178.905 176.553 2.352 1
1 489 . 9 1 1 A 44 44 SER N N 44 116.274 115.461 0.813 1
1 490 . 9 1 1 A 44 44 SER H H 44 8.245 7.484 0.761 1
1 491 . 9 1 1 A 44 44 SER CA C 44 61.072 59.566 1.506 1
1 492 . 9 1 1 A 44 44 SER HA H 44 4.268 4.099 0.169 1
1 493 . 9 1 1 A 44 44 SER CB C 44 65.891 63.420 2.471 1
1 496 . 9 1 1 A 44 44 SER C C 44 176.440 174.239 2.201 1
1 497 . 9 1 1 A 45 45 GLY N N 45 109.785 112.485 -2.700 1
1 498 . 9 1 1 A 45 45 GLY H H 45 7.793 8.560 -0.767 1
1 499 . 9 1 1 A 45 45 GLY CA C 45 46.773 44.238 2.535 1
1 500 . 9 1 1 A 45 45 GLY HA2 H 45 4.062 4.118 -0.056 1
1 501 . 9 1 1 A 45 45 GLY HA3 H 45 4.016 4.119 -0.103 1
1 502 . 9 1 1 A 45 45 GLY C C 45 173.701 174.019 -0.318 1
1 503 . 9 1 1 A 46 46 PRO CA C 46 65.308 63.576 1.732 1
1 504 . 9 1 1 A 46 46 PRO HA H 46 4.479 4.546 -0.067 1
1 505 . 9 1 1 A 46 46 PRO CB C 46 34.414 31.757 2.657 1
1 514 . 9 1 1 A 46 46 PRO C C 46 179.687 176.174 3.513 1
1 515 . 9 1 1 A 47 47 SER N N 47 116.800 116.192 0.608 1
1 516 . 9 1 1 A 47 47 SER H H 47 8.557 7.831 0.726 1
1 517 . 9 1 1 A 47 47 SER CA C 47 60.610 57.160 3.450 1
1 518 . 9 1 1 A 47 47 SER HA H 47 4.503 4.406 0.097 1
1 519 . 9 1 1 A 47 47 SER CB C 47 66.122 65.137 0.985 1
1 522 . 9 1 1 A 47 47 SER C C 47 177.035 175.454 1.581 1
1 523 . 9 1 1 A 48 48 SER N N 48 118.250 116.560 1.690 1
1 524 . 9 1 1 A 48 48 SER H H 48 8.402 8.830 -0.428 1
1 525 . 9 1 1 A 48 48 SER CA C 48 60.804 60.969 -0.165 1
1 526 . 9 1 1 A 48 48 SER HA H 48 4.529 4.207 0.322 1
1 527 . 9 1 1 A 48 48 SER CB C 48 66.152 63.578 2.574 1
1 530 . 9 1 1 A 48 48 SER C C 48 176.272 174.930 1.342 1
1 1 . 10 1 1 A 5 5 SER CA C 5 60.635 58.514 2.121 1
1 2 . 10 1 1 A 5 5 SER HA H 5 4.585 4.729 -0.144 1
1 3 . 10 1 1 A 5 5 SER CB C 5 66.298 63.893 2.405 1
1 6 . 10 1 1 A 5 5 SER C C 5 177.168 174.075 3.093 1
1 7 . 10 1 1 A 6 6 SER N N 6 118.338 119.218 -0.880 1
1 8 . 10 1 1 A 6 6 SER H H 6 8.569 8.444 0.125 1
1 9 . 10 1 1 A 6 6 SER CA C 6 60.885 57.054 3.831 1
1 10 . 10 1 1 A 6 6 SER HA H 6 4.535 5.489 -0.954 1
1 11 . 10 1 1 A 6 6 SER CB C 6 66.148 66.818 -0.670 1
1 14 . 10 1 1 A 6 6 SER C C 6 177.326 173.854 3.472 1
1 15 . 10 1 1 A 7 7 GLY N N 7 111.002 108.810 2.192 1
1 16 . 10 1 1 A 7 7 GLY H H 7 8.476 8.550 -0.074 1
1 17 . 10 1 1 A 7 7 GLY CA C 7 47.617 45.577 2.040 1
1 18 . 10 1 1 A 7 7 GLY HA2 H 7 4.019 4.203 -0.184 1
1 19 . 10 1 1 A 7 7 GLY HA3 H 7 4.019 4.204 -0.185 1
1 20 . 10 1 1 A 7 7 GLY C C 7 176.492 171.967 4.525 1
1 21 . 10 1 1 A 8 8 LEU N N 8 121.799 125.989 -4.190 1
1 22 . 10 1 1 A 8 8 LEU H H 8 8.193 8.876 -0.683 1
1 23 . 10 1 1 A 8 8 LEU CA C 8 57.462 53.192 4.270 1
1 24 . 10 1 1 A 8 8 LEU HA H 8 4.394 5.051 -0.657 1
1 25 . 10 1 1 A 8 8 LEU CB C 8 44.690 45.310 -0.620 1
1 37 . 10 1 1 A 8 8 LEU C C 8 179.755 177.166 2.589 1
1 38 . 10 1 1 A 9 9 ASP N N 9 121.308 120.768 0.540 1
1 39 . 10 1 1 A 9 9 ASP H H 9 8.466 8.901 -0.435 1
1 40 . 10 1 1 A 9 9 ASP CA C 9 56.935 54.660 2.275 1
1 41 . 10 1 1 A 9 9 ASP HA H 9 4.606 4.529 0.077 1
1 42 . 10 1 1 A 9 9 ASP CB C 9 43.197 39.660 3.537 1
1 45 . 10 1 1 A 9 9 ASP C C 9 178.791 176.060 2.731 1
1 46 . 10 1 1 A 10 10 SER N N 10 115.813 115.558 0.255 1
1 47 . 10 1 1 A 10 10 SER H H 10 8.187 7.960 0.227 1
1 48 . 10 1 1 A 10 10 SER CA C 10 60.991 59.222 1.769 1
1 49 . 10 1 1 A 10 10 SER HA H 10 4.407 4.427 -0.020 1
1 50 . 10 1 1 A 10 10 SER CB C 10 66.161 62.991 3.170 1
1 53 . 10 1 1 A 10 10 SER C C 10 176.964 175.015 1.949 1
1 54 . 10 1 1 A 11 11 GLU N N 11 122.677 117.175 5.502 1
1 55 . 10 1 1 A 11 11 GLU H H 11 8.443 8.409 0.034 1
1 56 . 10 1 1 A 11 11 GLU CA C 11 58.754 56.086 2.668 1
1 57 . 10 1 1 A 11 11 GLU HA H 11 4.316 4.338 -0.022 1
1 58 . 10 1 1 A 11 11 GLU CB C 11 32.345 29.352 2.993 1
1 64 . 10 1 1 A 11 11 GLU C C 11 178.630 175.790 2.840 1
1 65 . 10 1 1 A 12 12 LEU N N 12 122.751 122.275 0.476 1
1 66 . 10 1 1 A 12 12 LEU H H 12 8.101 7.152 0.949 1
1 67 . 10 1 1 A 12 12 LEU CA C 12 57.200 53.225 3.975 1
1 68 . 10 1 1 A 12 12 LEU HA H 12 4.330 4.804 -0.474 1
1 69 . 10 1 1 A 12 12 LEU CB C 12 44.701 44.022 0.679 1
1 82 . 10 1 1 A 12 12 LEU C C 12 179.430 176.262 3.168 1
1 83 . 10 1 1 A 13 13 GLU N N 13 122.737 121.680 1.057 1
1 84 . 10 1 1 A 13 13 GLU H H 13 8.361 8.426 -0.065 1
1 85 . 10 1 1 A 13 13 GLU CA C 13 58.512 55.782 2.730 1
1 86 . 10 1 1 A 13 13 GLU HA H 13 4.272 4.386 -0.114 1
1 87 . 10 1 1 A 13 13 GLU CB C 13 32.697 30.892 1.805 1
1 93 . 10 1 1 A 13 13 GLU C C 13 178.439 177.247 1.192 1
1 94 . 10 1 1 A 14 14 LEU N N 14 124.926 122.004 2.922 1
1 95 . 10 1 1 A 14 14 LEU H H 14 8.476 8.450 0.026 1
1 96 . 10 1 1 A 14 14 LEU CA C 14 54.936 52.880 2.056 1
1 97 . 10 1 1 A 14 14 LEU HA H 14 4.513 4.811 -0.298 1
1 98 . 10 1 1 A 14 14 LEU CB C 14 44.202 40.804 3.398 1
1 111 . 10 1 1 A 14 14 LEU C C 14 176.898 174.887 2.011 1
1 112 . 10 1 1 A 15 15 PRO CA C 15 64.197 62.196 2.001 1
1 113 . 10 1 1 A 15 15 PRO HA H 15 4.505 4.588 -0.083 1
1 114 . 10 1 1 A 15 15 PRO CB C 15 33.625 32.893 0.732 1
1 123 . 10 1 1 A 15 15 PRO C C 15 178.217 176.320 1.897 1
1 124 . 10 1 1 A 16 16 ALA N N 16 123.785 124.272 -0.487 1
1 125 . 10 1 1 A 16 16 ALA H H 16 8.483 8.354 0.129 1
1 126 . 10 1 1 A 16 16 ALA CA C 16 55.949 53.465 2.484 1
1 127 . 10 1 1 A 16 16 ALA HA H 16 4.250 3.987 0.263 1
1 128 . 10 1 1 A 16 16 ALA CB C 16 20.671 19.104 1.567 1
1 132 . 10 1 1 A 16 16 ALA C C 16 180.993 178.340 2.653 1
1 133 . 10 1 1 A 17 17 GLY N N 17 110.361 110.001 0.360 1
1 134 . 10 1 1 A 17 17 GLY H H 17 8.826 8.905 -0.079 1
1 135 . 10 1 1 A 17 17 GLY CA C 17 47.644 45.534 2.110 1
1 136 . 10 1 1 A 17 17 GLY HA2 H 17 3.781 3.978 -0.197 1
1 137 . 10 1 1 A 17 17 GLY HA3 H 17 4.248 4.013 0.235 1
1 138 . 10 1 1 A 17 17 GLY C C 17 175.678 174.424 1.254 1
1 139 . 10 1 1 A 18 18 TRP N N 18 118.683 120.744 -2.061 1
1 140 . 10 1 1 A 18 18 TRP H H 18 7.771 7.806 -0.035 1
1 141 . 10 1 1 A 18 18 TRP CA C 18 59.186 58.139 1.047 1
1 142 . 10 1 1 A 18 18 TRP HA H 18 5.710 4.778 0.932 1
1 143 . 10 1 1 A 18 18 TRP CB C 18 34.117 30.623 3.494 1
1 158 . 10 1 1 A 18 18 TRP C C 18 179.094 175.900 3.194 1
1 159 . 10 1 1 A 19 19 GLU N N 19 122.400 122.808 -0.408 1
1 160 . 10 1 1 A 19 19 GLU H H 19 9.431 8.528 0.903 1
1 161 . 10 1 1 A 19 19 GLU CA C 19 57.452 55.710 1.742 1
1 162 . 10 1 1 A 19 19 GLU HA H 19 4.668 4.766 -0.098 1
1 163 . 10 1 1 A 19 19 GLU CB C 19 36.636 32.823 3.813 1
1 169 . 10 1 1 A 19 19 GLU C C 19 176.242 175.103 1.139 1
1 170 . 10 1 1 A 20 20 LYS N N 20 126.826 123.881 2.945 1
1 171 . 10 1 1 A 20 20 LYS H H 20 8.839 8.465 0.374 1
1 172 . 10 1 1 A 20 20 LYS CA C 20 57.834 56.380 1.454 1
1 173 . 10 1 1 A 20 20 LYS HA H 20 4.396 4.388 0.008 1
1 174 . 10 1 1 A 20 20 LYS CB C 20 36.189 32.868 3.321 1
1 186 . 10 1 1 A 20 20 LYS C C 20 176.986 175.890 1.096 1
1 187 . 10 1 1 A 21 21 ILE N N 21 130.514 123.373 7.141 1
1 188 . 10 1 1 A 21 21 ILE H H 21 8.899 8.425 0.474 1
1 189 . 10 1 1 A 21 21 ILE CA C 21 61.347 59.774 1.573 1
1 190 . 10 1 1 A 21 21 ILE HA H 21 4.062 4.662 -0.600 1
1 191 . 10 1 1 A 21 21 ILE CB C 21 40.504 40.843 -0.339 1
1 204 . 10 1 1 A 21 21 ILE C C 21 176.050 174.693 1.357 1
1 205 . 10 1 1 A 22 22 GLU N N 22 124.786 126.945 -2.159 1
1 206 . 10 1 1 A 22 22 GLU H H 22 8.328 8.601 -0.273 1
1 207 . 10 1 1 A 22 22 GLU CA C 22 56.983 55.164 1.819 1
1 208 . 10 1 1 A 22 22 GLU HA H 22 4.439 5.051 -0.612 1
1 209 . 10 1 1 A 22 22 GLU CB C 22 32.206 30.909 1.297 1
1 215 . 10 1 1 A 22 22 GLU C C 22 176.960 174.972 1.988 1
1 216 . 10 1 1 A 23 23 ASP N N 23 128.273 124.157 4.116 1
1 217 . 10 1 1 A 23 23 ASP H H 23 8.412 8.744 -0.332 1
1 218 . 10 1 1 A 23 23 ASP CA C 23 53.796 50.812 2.984 1
1 219 . 10 1 1 A 23 23 ASP HA H 23 5.093 5.146 -0.053 1
1 220 . 10 1 1 A 23 23 ASP CB C 23 47.804 44.434 3.370 1
1 223 . 10 1 1 A 23 23 ASP C C 23 177.989 175.673 2.316 1
1 224 . 10 1 1 A 24 24 PRO CA C 24 66.947 64.140 2.807 1
1 225 . 10 1 1 A 24 24 PRO HA H 24 4.377 4.511 -0.134 1
1 226 . 10 1 1 A 24 24 PRO CB C 24 34.504 31.790 2.714 1
1 235 . 10 1 1 A 24 24 PRO C C 24 178.884 177.086 1.798 1
1 236 . 10 1 1 A 25 25 VAL N N 25 118.954 115.500 3.454 1
1 237 . 10 1 1 A 25 25 VAL H H 25 8.498 8.444 0.054 1
1 238 . 10 1 1 A 25 25 VAL CA C 25 66.276 63.783 2.493 1
1 239 . 10 1 1 A 25 25 VAL HA H 25 3.885 4.125 -0.240 1
1 240 . 10 1 1 A 25 25 VAL CB C 25 35.312 33.568 1.744 1
1 250 . 10 1 1 A 25 25 VAL C C 25 179.867 177.195 2.672 1
1 251 . 10 1 1 A 26 26 TYR N N 26 118.189 116.614 1.575 1
1 252 . 10 1 1 A 26 26 TYR H H 26 8.623 7.935 0.688 1
1 253 . 10 1 1 A 26 26 TYR CA C 26 61.321 58.433 2.888 1
1 254 . 10 1 1 A 26 26 TYR HA H 26 4.495 4.656 -0.161 1
1 255 . 10 1 1 A 26 26 TYR CB C 26 41.356 39.125 2.231 1
1 266 . 10 1 1 A 26 26 TYR C C 26 178.462 176.679 1.783 1
1 267 . 10 1 1 A 27 27 GLY N N 27 110.334 106.702 3.632 1
1 268 . 10 1 1 A 27 27 GLY H H 27 8.220 8.519 -0.299 1
1 269 . 10 1 1 A 27 27 GLY CA C 27 47.221 45.566 1.655 1
1 270 . 10 1 1 A 27 27 GLY HA2 H 27 3.910 4.203 -0.293 1
1 271 . 10 1 1 A 27 27 GLY HA3 H 27 4.389 4.264 0.125 1
1 272 . 10 1 1 A 27 27 GLY C C 27 175.432 173.713 1.719 1
1 273 . 10 1 1 A 28 28 ILE N N 28 121.398 122.587 -1.189 1
1 274 . 10 1 1 A 28 28 ILE H H 28 8.281 8.391 -0.110 1
1 275 . 10 1 1 A 28 28 ILE CA C 28 63.218 60.638 2.580 1
1 276 . 10 1 1 A 28 28 ILE HA H 28 4.885 4.945 -0.060 1
1 277 . 10 1 1 A 28 28 ILE CB C 28 40.979 38.484 2.495 1
1 290 . 10 1 1 A 28 28 ILE C C 28 179.002 174.388 4.614 1
1 291 . 10 1 1 A 29 29 TYR N N 29 124.797 124.277 0.520 1
1 292 . 10 1 1 A 29 29 TYR H H 29 8.812 8.468 0.344 1
1 293 . 10 1 1 A 29 29 TYR CA C 29 58.567 54.882 3.685 1
1 294 . 10 1 1 A 29 29 TYR HA H 29 4.691 4.906 -0.215 1
1 295 . 10 1 1 A 29 29 TYR CB C 29 41.239 41.636 -0.397 1
1 306 . 10 1 1 A 29 29 TYR C C 29 173.343 172.799 0.544 1
1 307 . 10 1 1 A 30 30 TYR N N 30 117.085 122.558 -5.473 1
1 308 . 10 1 1 A 30 30 TYR H H 30 8.925 8.434 0.491 1
1 309 . 10 1 1 A 30 30 TYR CA C 30 59.179 57.825 1.354 1
1 310 . 10 1 1 A 30 30 TYR HA H 30 5.431 4.977 0.454 1
1 311 . 10 1 1 A 30 30 TYR CB C 30 43.770 39.924 3.846 1
1 322 . 10 1 1 A 30 30 TYR C C 30 177.375 175.304 2.071 1
1 323 . 10 1 1 A 31 31 VAL N N 31 121.450 123.427 -1.977 1
1 324 . 10 1 1 A 31 31 VAL H H 31 9.204 9.541 -0.337 1
1 325 . 10 1 1 A 31 31 VAL CA C 31 62.688 61.307 1.381 1
1 326 . 10 1 1 A 31 31 VAL HA H 31 4.633 4.577 0.056 1
1 327 . 10 1 1 A 31 31 VAL CB C 31 37.509 32.864 4.645 1
1 337 . 10 1 1 A 31 31 VAL C C 31 175.631 174.050 1.581 1
1 338 . 10 1 1 A 32 32 ASP N N 32 126.397 127.932 -1.535 1
1 339 . 10 1 1 A 32 32 ASP H H 32 8.361 8.705 -0.344 1
1 340 . 10 1 1 A 32 32 ASP CA C 32 53.716 53.234 0.482 1
1 341 . 10 1 1 A 32 32 ASP HA H 32 3.844 5.057 -1.213 1
1 342 . 10 1 1 A 32 32 ASP CB C 32 41.631 40.511 1.120 1
1 345 . 10 1 1 A 32 32 ASP C C 32 179.908 175.868 4.040 1
1 346 . 10 1 1 A 33 33 HIS N N 33 122.272 121.386 0.886 1
1 347 . 10 1 1 A 33 33 HIS H H 33 8.636 8.069 0.567 1
1 348 . 10 1 1 A 33 33 HIS CA C 33 60.587 58.045 2.542 1
1 349 . 10 1 1 A 33 33 HIS HA H 33 4.269 4.348 -0.079 1
1 350 . 10 1 1 A 33 33 HIS CB C 33 33.066 28.942 4.124 1
1 357 . 10 1 1 A 33 33 HIS C C 33 178.929 176.707 2.222 1
1 358 . 10 1 1 A 34 34 ILE N N 34 120.451 120.139 0.312 1
1 359 . 10 1 1 A 34 34 ILE H H 34 8.133 7.628 0.505 1
1 360 . 10 1 1 A 34 34 ILE CA C 34 65.440 63.564 1.876 1
1 361 . 10 1 1 A 34 34 ILE HA H 34 3.880 3.810 0.070 1
1 362 . 10 1 1 A 34 34 ILE CB C 34 39.306 37.793 1.513 1
1 375 . 10 1 1 A 34 34 ILE C C 34 179.561 177.743 1.818 1
1 376 . 10 1 1 A 35 35 ASN N N 35 116.293 117.169 -0.876 1
1 377 . 10 1 1 A 35 35 ASN H H 35 7.748 7.899 -0.151 1
1 378 . 10 1 1 A 35 35 ASN CA C 35 55.406 53.070 2.336 1
1 379 . 10 1 1 A 35 35 ASN HA H 35 4.623 4.703 -0.080 1
1 380 . 10 1 1 A 35 35 ASN CB C 35 41.081 38.821 2.260 1
1 386 . 10 1 1 A 35 35 ASN C C 35 176.331 174.538 1.793 1
1 387 . 10 1 1 A 36 36 ARG N N 36 118.342 116.131 2.211 1
1 388 . 10 1 1 A 36 36 ARG H H 36 7.691 7.920 -0.229 1
1 389 . 10 1 1 A 36 36 ARG CA C 36 58.927 56.998 1.929 1
1 390 . 10 1 1 A 36 36 ARG HA H 36 3.921 4.048 -0.127 1
1 391 . 10 1 1 A 36 36 ARG CB C 36 28.757 26.939 1.818 1
1 400 . 10 1 1 A 36 36 ARG C C 36 177.156 174.287 2.869 1
1 401 . 10 1 1 A 37 37 LYS N N 37 118.394 114.739 3.655 1
1 402 . 10 1 1 A 37 37 LYS H H 37 7.574 7.422 0.152 1
1 403 . 10 1 1 A 37 37 LYS CA C 37 56.975 54.408 2.567 1
1 404 . 10 1 1 A 37 37 LYS HA H 37 4.761 4.978 -0.217 1
1 405 . 10 1 1 A 37 37 LYS CB C 37 38.331 34.941 3.390 1
1 417 . 10 1 1 A 37 37 LYS C C 37 177.346 175.276 2.070 1
1 418 . 10 1 1 A 38 38 THR N N 38 114.847 115.189 -0.342 1
1 419 . 10 1 1 A 38 38 THR H H 38 8.348 8.806 -0.458 1
1 420 . 10 1 1 A 38 38 THR CA C 38 63.013 60.929 2.084 1
1 421 . 10 1 1 A 38 38 THR HA H 38 5.369 5.711 -0.342 1
1 422 . 10 1 1 A 38 38 THR CB C 38 73.561 70.337 3.224 1
1 428 . 10 1 1 A 38 38 THR C C 38 176.244 173.909 2.335 1
1 429 . 10 1 1 A 39 39 GLN N N 39 118.695 123.966 -5.271 1
1 430 . 10 1 1 A 39 39 GLN H H 39 9.258 8.473 0.785 1
1 431 . 10 1 1 A 39 39 GLN CA C 39 57.417 54.529 2.888 1
1 432 . 10 1 1 A 39 39 GLN HA H 39 4.862 5.042 -0.180 1
1 433 . 10 1 1 A 39 39 GLN CB C 39 33.937 32.623 1.314 1
1 442 . 10 1 1 A 39 39 GLN C C 39 176.863 175.032 1.831 1
1 443 . 10 1 1 A 40 40 TYR N N 40 119.839 121.020 -1.181 1
1 444 . 10 1 1 A 40 40 TYR H H 40 8.969 9.099 -0.130 1
1 445 . 10 1 1 A 40 40 TYR CA C 40 62.528 59.959 2.569 1
1 446 . 10 1 1 A 40 40 TYR HA H 40 4.737 4.074 0.663 1
1 447 . 10 1 1 A 40 40 TYR CB C 40 41.283 38.536 2.747 1
1 458 . 10 1 1 A 40 40 TYR C C 40 178.553 176.167 2.386 1
1 459 . 10 1 1 A 41 41 GLU N N 41 119.641 118.625 1.016 1
1 460 . 10 1 1 A 41 41 GLU H H 41 8.136 8.112 0.024 1
1 461 . 10 1 1 A 41 41 GLU CA C 41 58.710 56.794 1.916 1
1 462 . 10 1 1 A 41 41 GLU HA H 41 4.357 4.483 -0.126 1
1 463 . 10 1 1 A 41 41 GLU CB C 41 32.272 30.662 1.610 1
1 469 . 10 1 1 A 41 41 GLU C C 41 177.835 175.669 2.166 1
1 470 . 10 1 1 A 42 42 ASN N N 42 123.220 120.812 2.408 1
1 471 . 10 1 1 A 42 42 ASN H H 42 8.597 8.692 -0.095 1
1 472 . 10 1 1 A 42 42 ASN CA C 42 53.458 49.785 3.673 1
1 473 . 10 1 1 A 42 42 ASN HA H 42 4.351 5.433 -1.082 1
1 474 . 10 1 1 A 42 42 ASN CB C 42 40.674 39.906 0.768 1
1 480 . 10 1 1 A 42 42 ASN C C 42 177.142 174.436 2.706 1
1 481 . 10 1 1 A 43 43 PRO CA C 43 65.366 63.912 1.454 1
1 482 . 10 1 1 A 43 43 PRO HA H 43 3.966 4.423 -0.457 1
1 483 . 10 1 1 A 43 43 PRO CB C 43 33.339 31.337 2.002 1
1 488 . 10 1 1 A 43 43 PRO C C 43 178.905 176.289 2.616 1
1 489 . 10 1 1 A 44 44 SER N N 44 116.274 115.507 0.767 1
1 490 . 10 1 1 A 44 44 SER H H 44 8.245 7.566 0.679 1
1 491 . 10 1 1 A 44 44 SER CA C 44 61.072 59.819 1.253 1
1 492 . 10 1 1 A 44 44 SER HA H 44 4.268 4.185 0.083 1
1 493 . 10 1 1 A 44 44 SER CB C 44 65.891 63.723 2.168 1
1 496 . 10 1 1 A 44 44 SER C C 44 176.440 174.502 1.938 1
1 497 . 10 1 1 A 45 45 GLY N N 45 109.785 111.012 -1.227 1
1 498 . 10 1 1 A 45 45 GLY H H 45 7.793 8.236 -0.443 1
1 499 . 10 1 1 A 45 45 GLY CA C 45 46.773 45.170 1.603 1
1 500 . 10 1 1 A 45 45 GLY HA2 H 45 4.062 4.174 -0.112 1
1 501 . 10 1 1 A 45 45 GLY HA3 H 45 4.016 4.175 -0.159 1
1 502 . 10 1 1 A 45 45 GLY C C 45 173.701 171.133 2.568 1
1 503 . 10 1 1 A 46 46 PRO CA C 46 65.308 62.697 2.611 1
1 504 . 10 1 1 A 46 46 PRO HA H 46 4.479 4.594 -0.115 1
1 505 . 10 1 1 A 46 46 PRO CB C 46 34.414 31.593 2.821 1
1 514 . 10 1 1 A 46 46 PRO C C 46 179.687 177.069 2.618 1
1 515 . 10 1 1 A 47 47 SER N N 47 116.800 119.334 -2.534 1
1 516 . 10 1 1 A 47 47 SER H H 47 8.557 8.419 0.138 1
1 517 . 10 1 1 A 47 47 SER CA C 47 60.610 60.561 0.049 1
1 518 . 10 1 1 A 47 47 SER HA H 47 4.503 4.332 0.171 1
1 519 . 10 1 1 A 47 47 SER CB C 47 66.122 63.209 2.913 1
1 522 . 10 1 1 A 47 47 SER C C 47 177.035 174.106 2.929 1
1 523 . 10 1 1 A 48 48 SER N N 48 118.250 122.782 -4.532 1
1 524 . 10 1 1 A 48 48 SER H H 48 8.402 8.870 -0.468 1
1 525 . 10 1 1 A 48 48 SER CA C 48 60.804 62.365 -1.561 1
1 526 . 10 1 1 A 48 48 SER HA H 48 4.529 4.295 0.234 1
1 527 . 10 1 1 A 48 48 SER CB C 48 66.152 63.174 2.978 1
1 530 . 10 1 1 A 48 48 SER C C 48 176.272 175.588 0.684 1
1 1 . 11 1 1 A 5 5 SER CA C 5 60.635 62.447 -1.812 1
1 2 . 11 1 1 A 5 5 SER HA H 5 4.585 4.345 0.240 1
1 3 . 11 1 1 A 5 5 SER CB C 5 66.298 62.940 3.358 1
1 6 . 11 1 1 A 5 5 SER C C 5 177.168 174.581 2.587 1
1 7 . 11 1 1 A 6 6 SER N N 6 118.338 115.550 2.788 1
1 8 . 11 1 1 A 6 6 SER H H 6 8.569 7.763 0.806 1
1 9 . 11 1 1 A 6 6 SER CA C 6 60.885 59.107 1.778 1
1 10 . 11 1 1 A 6 6 SER HA H 6 4.535 4.160 0.375 1
1 11 . 11 1 1 A 6 6 SER CB C 6 66.148 61.541 4.607 1
1 14 . 11 1 1 A 6 6 SER C C 6 177.326 174.184 3.142 1
1 15 . 11 1 1 A 7 7 GLY N N 7 111.002 109.068 1.934 1
1 16 . 11 1 1 A 7 7 GLY H H 7 8.476 8.144 0.332 1
1 17 . 11 1 1 A 7 7 GLY CA C 7 47.617 45.730 1.887 1
1 18 . 11 1 1 A 7 7 GLY HA2 H 7 4.019 3.925 0.094 1
1 19 . 11 1 1 A 7 7 GLY HA3 H 7 4.019 3.927 0.092 1
1 20 . 11 1 1 A 7 7 GLY C C 7 176.492 173.188 3.304 1
1 21 . 11 1 1 A 8 8 LEU N N 8 121.799 124.517 -2.718 1
1 22 . 11 1 1 A 8 8 LEU H H 8 8.193 8.585 -0.392 1
1 23 . 11 1 1 A 8 8 LEU CA C 8 57.462 54.474 2.988 1
1 24 . 11 1 1 A 8 8 LEU HA H 8 4.394 4.844 -0.450 1
1 25 . 11 1 1 A 8 8 LEU CB C 8 44.690 45.605 -0.915 1
1 37 . 11 1 1 A 8 8 LEU C C 8 179.755 174.923 4.832 1
1 38 . 11 1 1 A 9 9 ASP N N 9 121.308 125.740 -4.432 1
1 39 . 11 1 1 A 9 9 ASP H H 9 8.466 8.925 -0.459 1
1 40 . 11 1 1 A 9 9 ASP CA C 9 56.935 54.245 2.690 1
1 41 . 11 1 1 A 9 9 ASP HA H 9 4.606 4.713 -0.107 1
1 42 . 11 1 1 A 9 9 ASP CB C 9 43.197 40.606 2.591 1
1 45 . 11 1 1 A 9 9 ASP C C 9 178.791 175.678 3.113 1
1 46 . 11 1 1 A 10 10 SER N N 10 115.813 120.960 -5.147 1
1 47 . 11 1 1 A 10 10 SER H H 10 8.187 9.059 -0.872 1
1 48 . 11 1 1 A 10 10 SER CA C 10 60.991 57.517 3.474 1
1 49 . 11 1 1 A 10 10 SER HA H 10 4.407 4.756 -0.349 1
1 50 . 11 1 1 A 10 10 SER CB C 10 66.161 63.678 2.483 1
1 53 . 11 1 1 A 10 10 SER C C 10 176.964 174.842 2.122 1
1 54 . 11 1 1 A 11 11 GLU N N 11 122.677 115.928 6.749 1
1 55 . 11 1 1 A 11 11 GLU H H 11 8.443 8.407 0.036 1
1 56 . 11 1 1 A 11 11 GLU CA C 11 58.754 55.802 2.952 1
1 57 . 11 1 1 A 11 11 GLU HA H 11 4.316 4.384 -0.068 1
1 58 . 11 1 1 A 11 11 GLU CB C 11 32.345 29.662 2.683 1
1 64 . 11 1 1 A 11 11 GLU C C 11 178.630 175.891 2.739 1
1 65 . 11 1 1 A 12 12 LEU N N 12 122.751 121.811 0.940 1
1 66 . 11 1 1 A 12 12 LEU H H 12 8.101 7.520 0.581 1
1 67 . 11 1 1 A 12 12 LEU CA C 12 57.200 53.418 3.782 1
1 68 . 11 1 1 A 12 12 LEU HA H 12 4.330 4.744 -0.414 1
1 69 . 11 1 1 A 12 12 LEU CB C 12 44.701 44.327 0.374 1
1 82 . 11 1 1 A 12 12 LEU C C 12 179.430 176.302 3.128 1
1 83 . 11 1 1 A 13 13 GLU N N 13 122.737 122.087 0.650 1
1 84 . 11 1 1 A 13 13 GLU H H 13 8.361 8.363 -0.002 1
1 85 . 11 1 1 A 13 13 GLU CA C 13 58.512 56.405 2.107 1
1 86 . 11 1 1 A 13 13 GLU HA H 13 4.272 4.383 -0.111 1
1 87 . 11 1 1 A 13 13 GLU CB C 13 32.697 30.968 1.729 1
1 93 . 11 1 1 A 13 13 GLU C C 13 178.439 176.105 2.334 1
1 94 . 11 1 1 A 14 14 LEU N N 14 124.926 122.238 2.688 1
1 95 . 11 1 1 A 14 14 LEU H H 14 8.476 8.344 0.132 1
1 96 . 11 1 1 A 14 14 LEU CA C 14 54.936 52.160 2.776 1
1 97 . 11 1 1 A 14 14 LEU HA H 14 4.513 4.554 -0.041 1
1 98 . 11 1 1 A 14 14 LEU CB C 14 44.202 42.017 2.185 1
1 111 . 11 1 1 A 14 14 LEU C C 14 176.898 174.809 2.089 1
1 112 . 11 1 1 A 15 15 PRO CA C 15 64.197 62.170 2.027 1
1 113 . 11 1 1 A 15 15 PRO HA H 15 4.505 4.573 -0.068 1
1 114 . 11 1 1 A 15 15 PRO CB C 15 33.625 32.984 0.641 1
1 123 . 11 1 1 A 15 15 PRO C C 15 178.217 176.300 1.917 1
1 124 . 11 1 1 A 16 16 ALA N N 16 123.785 124.525 -0.740 1
1 125 . 11 1 1 A 16 16 ALA H H 16 8.483 8.337 0.146 1
1 126 . 11 1 1 A 16 16 ALA CA C 16 55.949 53.460 2.489 1
1 127 . 11 1 1 A 16 16 ALA HA H 16 4.250 3.985 0.265 1
1 128 . 11 1 1 A 16 16 ALA CB C 16 20.671 18.997 1.674 1
1 132 . 11 1 1 A 16 16 ALA C C 16 180.993 178.327 2.666 1
1 133 . 11 1 1 A 17 17 GLY N N 17 110.361 109.935 0.426 1
1 134 . 11 1 1 A 17 17 GLY H H 17 8.826 8.981 -0.155 1
1 135 . 11 1 1 A 17 17 GLY CA C 17 47.644 45.363 2.281 1
1 136 . 11 1 1 A 17 17 GLY HA2 H 17 3.781 4.027 -0.246 1
1 137 . 11 1 1 A 17 17 GLY HA3 H 17 4.248 4.033 0.215 1
1 138 . 11 1 1 A 17 17 GLY C C 17 175.678 174.409 1.269 1
1 139 . 11 1 1 A 18 18 TRP N N 18 118.683 120.704 -2.021 1
1 140 . 11 1 1 A 18 18 TRP H H 18 7.771 7.691 0.080 1
1 141 . 11 1 1 A 18 18 TRP CA C 18 59.186 58.021 1.165 1
1 142 . 11 1 1 A 18 18 TRP HA H 18 5.710 4.663 1.047 1
1 143 . 11 1 1 A 18 18 TRP CB C 18 34.117 30.869 3.248 1
1 158 . 11 1 1 A 18 18 TRP C C 18 179.094 175.925 3.169 1
1 159 . 11 1 1 A 19 19 GLU N N 19 122.400 122.611 -0.211 1
1 160 . 11 1 1 A 19 19 GLU H H 19 9.431 8.506 0.925 1
1 161 . 11 1 1 A 19 19 GLU CA C 19 57.452 55.755 1.697 1
1 162 . 11 1 1 A 19 19 GLU HA H 19 4.668 4.729 -0.061 1
1 163 . 11 1 1 A 19 19 GLU CB C 19 36.636 32.513 4.123 1
1 169 . 11 1 1 A 19 19 GLU C C 19 176.242 175.167 1.075 1
1 170 . 11 1 1 A 20 20 LYS N N 20 126.826 124.055 2.771 1
1 171 . 11 1 1 A 20 20 LYS H H 20 8.839 8.358 0.481 1
1 172 . 11 1 1 A 20 20 LYS CA C 20 57.834 56.399 1.435 1
1 173 . 11 1 1 A 20 20 LYS HA H 20 4.396 4.340 0.056 1
1 174 . 11 1 1 A 20 20 LYS CB C 20 36.189 32.791 3.398 1
1 186 . 11 1 1 A 20 20 LYS C C 20 176.986 175.778 1.208 1
1 187 . 11 1 1 A 21 21 ILE N N 21 130.514 122.911 7.603 1
1 188 . 11 1 1 A 21 21 ILE H H 21 8.899 8.431 0.468 1
1 189 . 11 1 1 A 21 21 ILE CA C 21 61.347 59.782 1.565 1
1 190 . 11 1 1 A 21 21 ILE HA H 21 4.062 4.671 -0.609 1
1 191 . 11 1 1 A 21 21 ILE CB C 21 40.504 40.772 -0.268 1
1 204 . 11 1 1 A 21 21 ILE C C 21 176.050 174.715 1.335 1
1 205 . 11 1 1 A 22 22 GLU N N 22 124.786 126.935 -2.149 1
1 206 . 11 1 1 A 22 22 GLU H H 22 8.328 8.758 -0.430 1
1 207 . 11 1 1 A 22 22 GLU CA C 22 56.983 55.188 1.795 1
1 208 . 11 1 1 A 22 22 GLU HA H 22 4.439 5.061 -0.622 1
1 209 . 11 1 1 A 22 22 GLU CB C 22 32.206 30.939 1.267 1
1 215 . 11 1 1 A 22 22 GLU C C 22 176.960 174.938 2.022 1
1 216 . 11 1 1 A 23 23 ASP N N 23 128.273 124.507 3.766 1
1 217 . 11 1 1 A 23 23 ASP H H 23 8.412 8.749 -0.337 1
1 218 . 11 1 1 A 23 23 ASP CA C 23 53.796 50.831 2.965 1
1 219 . 11 1 1 A 23 23 ASP HA H 23 5.093 5.181 -0.088 1
1 220 . 11 1 1 A 23 23 ASP CB C 23 47.804 44.485 3.319 1
1 223 . 11 1 1 A 23 23 ASP C C 23 177.989 175.688 2.301 1
1 224 . 11 1 1 A 24 24 PRO CA C 24 66.947 64.152 2.795 1
1 225 . 11 1 1 A 24 24 PRO HA H 24 4.377 4.536 -0.159 1
1 226 . 11 1 1 A 24 24 PRO CB C 24 34.504 31.803 2.701 1
1 235 . 11 1 1 A 24 24 PRO C C 24 178.884 177.008 1.876 1
1 236 . 11 1 1 A 25 25 VAL N N 25 118.954 115.493 3.461 1
1 237 . 11 1 1 A 25 25 VAL H H 25 8.498 8.435 0.063 1
1 238 . 11 1 1 A 25 25 VAL CA C 25 66.276 63.739 2.537 1
1 239 . 11 1 1 A 25 25 VAL HA H 25 3.885 4.124 -0.239 1
1 240 . 11 1 1 A 25 25 VAL CB C 25 35.312 33.575 1.737 1
1 250 . 11 1 1 A 25 25 VAL C C 25 179.867 177.151 2.716 1
1 251 . 11 1 1 A 26 26 TYR N N 26 118.189 116.611 1.578 1
1 252 . 11 1 1 A 26 26 TYR H H 26 8.623 7.793 0.830 1
1 253 . 11 1 1 A 26 26 TYR CA C 26 61.321 58.430 2.891 1
1 254 . 11 1 1 A 26 26 TYR HA H 26 4.495 4.647 -0.152 1
1 255 . 11 1 1 A 26 26 TYR CB C 26 41.356 39.290 2.066 1
1 266 . 11 1 1 A 26 26 TYR C C 26 178.462 176.666 1.796 1
1 267 . 11 1 1 A 27 27 GLY N N 27 110.334 106.660 3.674 1
1 268 . 11 1 1 A 27 27 GLY H H 27 8.220 8.504 -0.284 1
1 269 . 11 1 1 A 27 27 GLY CA C 27 47.221 45.485 1.736 1
1 270 . 11 1 1 A 27 27 GLY HA2 H 27 3.910 4.192 -0.282 1
1 271 . 11 1 1 A 27 27 GLY HA3 H 27 4.389 4.245 0.144 1
1 272 . 11 1 1 A 27 27 GLY C C 27 175.432 173.705 1.727 1
1 273 . 11 1 1 A 28 28 ILE N N 28 121.398 122.561 -1.163 1
1 274 . 11 1 1 A 28 28 ILE H H 28 8.281 8.325 -0.044 1
1 275 . 11 1 1 A 28 28 ILE CA C 28 63.218 60.631 2.587 1
1 276 . 11 1 1 A 28 28 ILE HA H 28 4.885 4.965 -0.080 1
1 277 . 11 1 1 A 28 28 ILE CB C 28 40.979 38.470 2.509 1
1 290 . 11 1 1 A 28 28 ILE C C 28 179.002 174.385 4.617 1
1 291 . 11 1 1 A 29 29 TYR N N 29 124.797 124.275 0.522 1
1 292 . 11 1 1 A 29 29 TYR H H 29 8.812 8.525 0.287 1
1 293 . 11 1 1 A 29 29 TYR CA C 29 58.567 54.912 3.655 1
1 294 . 11 1 1 A 29 29 TYR HA H 29 4.691 4.883 -0.192 1
1 295 . 11 1 1 A 29 29 TYR CB C 29 41.239 41.621 -0.382 1
1 306 . 11 1 1 A 29 29 TYR C C 29 173.343 172.813 0.530 1
1 307 . 11 1 1 A 30 30 TYR N N 30 117.085 122.574 -5.489 1
1 308 . 11 1 1 A 30 30 TYR H H 30 8.925 8.360 0.565 1
1 309 . 11 1 1 A 30 30 TYR CA C 30 59.179 57.836 1.343 1
1 310 . 11 1 1 A 30 30 TYR HA H 30 5.431 4.968 0.463 1
1 311 . 11 1 1 A 30 30 TYR CB C 30 43.770 39.944 3.826 1
1 322 . 11 1 1 A 30 30 TYR C C 30 177.375 175.296 2.079 1
1 323 . 11 1 1 A 31 31 VAL N N 31 121.450 123.478 -2.028 1
1 324 . 11 1 1 A 31 31 VAL H H 31 9.204 9.269 -0.065 1
1 325 . 11 1 1 A 31 31 VAL CA C 31 62.688 61.198 1.490 1
1 326 . 11 1 1 A 31 31 VAL HA H 31 4.633 4.550 0.083 1
1 327 . 11 1 1 A 31 31 VAL CB C 31 37.509 32.897 4.612 1
1 337 . 11 1 1 A 31 31 VAL C C 31 175.631 173.757 1.874 1
1 338 . 11 1 1 A 32 32 ASP N N 32 126.397 128.053 -1.656 1
1 339 . 11 1 1 A 32 32 ASP H H 32 8.361 8.176 0.185 1
1 340 . 11 1 1 A 32 32 ASP CA C 32 53.716 51.837 1.879 1
1 341 . 11 1 1 A 32 32 ASP HA H 32 3.844 4.432 -0.588 1
1 342 . 11 1 1 A 32 32 ASP CB C 32 41.631 39.822 1.809 1
1 345 . 11 1 1 A 32 32 ASP C C 32 179.908 176.473 3.435 1
1 346 . 11 1 1 A 33 33 HIS N N 33 122.272 122.634 -0.362 1
1 347 . 11 1 1 A 33 33 HIS H H 33 8.636 8.021 0.615 1
1 348 . 11 1 1 A 33 33 HIS CA C 33 60.587 57.366 3.221 1
1 349 . 11 1 1 A 33 33 HIS HA H 33 4.269 4.264 0.005 1
1 350 . 11 1 1 A 33 33 HIS CB C 33 33.066 28.847 4.219 1
1 357 . 11 1 1 A 33 33 HIS C C 33 178.929 177.079 1.850 1
1 358 . 11 1 1 A 34 34 ILE N N 34 120.451 120.633 -0.182 1
1 359 . 11 1 1 A 34 34 ILE H H 34 8.133 7.743 0.390 1
1 360 . 11 1 1 A 34 34 ILE CA C 34 65.440 64.187 1.253 1
1 361 . 11 1 1 A 34 34 ILE HA H 34 3.880 3.791 0.089 1
1 362 . 11 1 1 A 34 34 ILE CB C 34 39.306 37.815 1.491 1
1 375 . 11 1 1 A 34 34 ILE C C 34 179.561 177.801 1.760 1
1 376 . 11 1 1 A 35 35 ASN N N 35 116.293 117.045 -0.752 1
1 377 . 11 1 1 A 35 35 ASN H H 35 7.748 7.873 -0.125 1
1 378 . 11 1 1 A 35 35 ASN CA C 35 55.406 52.926 2.480 1
1 379 . 11 1 1 A 35 35 ASN HA H 35 4.623 4.738 -0.115 1
1 380 . 11 1 1 A 35 35 ASN CB C 35 41.081 38.837 2.244 1
1 386 . 11 1 1 A 35 35 ASN C C 35 176.331 174.424 1.907 1
1 387 . 11 1 1 A 36 36 ARG N N 36 118.342 116.330 2.012 1
1 388 . 11 1 1 A 36 36 ARG H H 36 7.691 8.002 -0.311 1
1 389 . 11 1 1 A 36 36 ARG CA C 36 58.927 57.004 1.923 1
1 390 . 11 1 1 A 36 36 ARG HA H 36 3.921 4.114 -0.193 1
1 391 . 11 1 1 A 36 36 ARG CB C 36 28.757 26.957 1.800 1
1 400 . 11 1 1 A 36 36 ARG C C 36 177.156 174.314 2.842 1
1 401 . 11 1 1 A 37 37 LYS N N 37 118.394 114.679 3.715 1
1 402 . 11 1 1 A 37 37 LYS H H 37 7.574 7.397 0.177 1
1 403 . 11 1 1 A 37 37 LYS CA C 37 56.975 54.393 2.582 1
1 404 . 11 1 1 A 37 37 LYS HA H 37 4.761 4.988 -0.227 1
1 405 . 11 1 1 A 37 37 LYS CB C 37 38.331 35.349 2.982 1
1 417 . 11 1 1 A 37 37 LYS C C 37 177.346 175.201 2.145 1
1 418 . 11 1 1 A 38 38 THR N N 38 114.847 114.864 -0.017 1
1 419 . 11 1 1 A 38 38 THR H H 38 8.348 8.839 -0.491 1
1 420 . 11 1 1 A 38 38 THR CA C 38 63.013 60.890 2.123 1
1 421 . 11 1 1 A 38 38 THR HA H 38 5.369 5.832 -0.463 1
1 422 . 11 1 1 A 38 38 THR CB C 38 73.561 70.516 3.045 1
1 428 . 11 1 1 A 38 38 THR C C 38 176.244 173.915 2.329 1
1 429 . 11 1 1 A 39 39 GLN N N 39 118.695 123.700 -5.005 1
1 430 . 11 1 1 A 39 39 GLN H H 39 9.258 8.634 0.624 1
1 431 . 11 1 1 A 39 39 GLN CA C 39 57.417 54.467 2.950 1
1 432 . 11 1 1 A 39 39 GLN HA H 39 4.862 5.047 -0.185 1
1 433 . 11 1 1 A 39 39 GLN CB C 39 33.937 32.708 1.229 1
1 442 . 11 1 1 A 39 39 GLN C C 39 176.863 175.046 1.817 1
1 443 . 11 1 1 A 40 40 TYR N N 40 119.839 121.055 -1.216 1
1 444 . 11 1 1 A 40 40 TYR H H 40 8.969 9.085 -0.116 1
1 445 . 11 1 1 A 40 40 TYR CA C 40 62.528 60.001 2.527 1
1 446 . 11 1 1 A 40 40 TYR HA H 40 4.737 4.080 0.657 1
1 447 . 11 1 1 A 40 40 TYR CB C 40 41.283 38.588 2.695 1
1 458 . 11 1 1 A 40 40 TYR C C 40 178.553 176.128 2.425 1
1 459 . 11 1 1 A 41 41 GLU N N 41 119.641 118.915 0.726 1
1 460 . 11 1 1 A 41 41 GLU H H 41 8.136 8.140 -0.004 1
1 461 . 11 1 1 A 41 41 GLU CA C 41 58.710 56.628 2.082 1
1 462 . 11 1 1 A 41 41 GLU HA H 41 4.357 4.498 -0.141 1
1 463 . 11 1 1 A 41 41 GLU CB C 41 32.272 30.583 1.689 1
1 469 . 11 1 1 A 41 41 GLU C C 41 177.835 175.698 2.137 1
1 470 . 11 1 1 A 42 42 ASN N N 42 123.220 120.589 2.631 1
1 471 . 11 1 1 A 42 42 ASN H H 42 8.597 8.726 -0.129 1
1 472 . 11 1 1 A 42 42 ASN CA C 42 53.458 49.714 3.744 1
1 473 . 11 1 1 A 42 42 ASN HA H 42 4.351 5.440 -1.089 1
1 474 . 11 1 1 A 42 42 ASN CB C 42 40.674 39.836 0.838 1
1 480 . 11 1 1 A 42 42 ASN C C 42 177.142 174.489 2.653 1
1 481 . 11 1 1 A 43 43 PRO CA C 43 65.366 64.070 1.296 1
1 482 . 11 1 1 A 43 43 PRO HA H 43 3.966 4.591 -0.625 1
1 483 . 11 1 1 A 43 43 PRO CB C 43 33.339 31.786 1.553 1
1 488 . 11 1 1 A 43 43 PRO C C 43 178.905 176.984 1.921 1
1 489 . 11 1 1 A 44 44 SER N N 44 116.274 112.821 3.453 1
1 490 . 11 1 1 A 44 44 SER H H 44 8.245 8.034 0.211 1
1 491 . 11 1 1 A 44 44 SER CA C 44 61.072 61.601 -0.529 1
1 492 . 11 1 1 A 44 44 SER HA H 44 4.268 4.033 0.235 1
1 493 . 11 1 1 A 44 44 SER CB C 44 65.891 62.850 3.041 1
1 496 . 11 1 1 A 44 44 SER C C 44 176.440 176.077 0.363 1
1 497 . 11 1 1 A 45 45 GLY N N 45 109.785 109.657 0.128 1
1 498 . 11 1 1 A 45 45 GLY H H 45 7.793 7.827 -0.034 1
1 499 . 11 1 1 A 45 45 GLY CA C 45 46.773 44.389 2.384 1
1 500 . 11 1 1 A 45 45 GLY HA2 H 45 4.062 4.062 0.000 1
1 501 . 11 1 1 A 45 45 GLY HA3 H 45 4.016 4.067 -0.051 1
1 502 . 11 1 1 A 45 45 GLY C C 45 173.701 174.664 -0.963 1
1 503 . 11 1 1 A 46 46 PRO CA C 46 65.308 63.946 1.362 1
1 504 . 11 1 1 A 46 46 PRO HA H 46 4.479 4.439 0.040 1
1 505 . 11 1 1 A 46 46 PRO CB C 46 34.414 31.532 2.882 1
1 514 . 11 1 1 A 46 46 PRO C C 46 179.687 175.263 4.424 1
1 515 . 11 1 1 A 47 47 SER N N 47 116.800 111.454 5.346 1
1 516 . 11 1 1 A 47 47 SER H H 47 8.557 7.675 0.882 1
1 517 . 11 1 1 A 47 47 SER CA C 47 60.610 56.652 3.958 1
1 518 . 11 1 1 A 47 47 SER HA H 47 4.503 4.902 -0.399 1
1 519 . 11 1 1 A 47 47 SER CB C 47 66.122 65.062 1.060 1
1 522 . 11 1 1 A 47 47 SER C C 47 177.035 173.142 3.893 1
1 523 . 11 1 1 A 48 48 SER N N 48 118.250 118.465 -0.215 1
1 524 . 11 1 1 A 48 48 SER H H 48 8.402 8.780 -0.378 1
1 525 . 11 1 1 A 48 48 SER CA C 48 60.804 56.617 4.187 1
1 526 . 11 1 1 A 48 48 SER HA H 48 4.529 5.201 -0.672 1
1 527 . 11 1 1 A 48 48 SER CB C 48 66.152 66.610 -0.458 1
1 530 . 11 1 1 A 48 48 SER C C 48 176.272 174.302 1.970 1
1 1 . 12 1 1 A 5 5 SER CA C 5 60.635 57.686 2.949 1
1 2 . 12 1 1 A 5 5 SER HA H 5 4.585 5.216 -0.631 1
1 3 . 12 1 1 A 5 5 SER CB C 5 66.298 64.876 1.422 1
1 6 . 12 1 1 A 5 5 SER C C 5 177.168 173.054 4.114 1
1 7 . 12 1 1 A 6 6 SER N N 6 118.338 120.363 -2.025 1
1 8 . 12 1 1 A 6 6 SER H H 6 8.569 8.786 -0.217 1
1 9 . 12 1 1 A 6 6 SER CA C 6 60.885 58.232 2.653 1
1 10 . 12 1 1 A 6 6 SER HA H 6 4.535 4.675 -0.140 1
1 11 . 12 1 1 A 6 6 SER CB C 6 66.148 63.847 2.301 1
1 14 . 12 1 1 A 6 6 SER C C 6 177.326 175.114 2.212 1
1 15 . 12 1 1 A 7 7 GLY N N 7 111.002 113.292 -2.290 1
1 16 . 12 1 1 A 7 7 GLY H H 7 8.476 8.531 -0.055 1
1 17 . 12 1 1 A 7 7 GLY CA C 7 47.617 45.315 2.302 1
1 18 . 12 1 1 A 7 7 GLY HA2 H 7 4.019 4.043 -0.024 1
1 19 . 12 1 1 A 7 7 GLY HA3 H 7 4.019 4.043 -0.024 1
1 20 . 12 1 1 A 7 7 GLY C C 7 176.492 174.415 2.077 1
1 21 . 12 1 1 A 8 8 LEU N N 8 121.799 124.750 -2.951 1
1 22 . 12 1 1 A 8 8 LEU H H 8 8.193 9.146 -0.953 1
1 23 . 12 1 1 A 8 8 LEU CA C 8 57.462 56.584 0.878 1
1 24 . 12 1 1 A 8 8 LEU HA H 8 4.394 4.304 0.090 1
1 25 . 12 1 1 A 8 8 LEU CB C 8 44.690 42.361 2.329 1
1 37 . 12 1 1 A 8 8 LEU C C 8 179.755 176.602 3.153 1
1 38 . 12 1 1 A 9 9 ASP N N 9 121.308 116.598 4.710 1
1 39 . 12 1 1 A 9 9 ASP H H 9 8.466 7.869 0.597 1
1 40 . 12 1 1 A 9 9 ASP CA C 9 56.935 53.315 3.620 1
1 41 . 12 1 1 A 9 9 ASP HA H 9 4.606 4.956 -0.350 1
1 42 . 12 1 1 A 9 9 ASP CB C 9 43.197 42.798 0.399 1
1 45 . 12 1 1 A 9 9 ASP C C 9 178.791 175.497 3.294 1
1 46 . 12 1 1 A 10 10 SER N N 10 115.813 117.960 -2.147 1
1 47 . 12 1 1 A 10 10 SER H H 10 8.187 8.902 -0.715 1
1 48 . 12 1 1 A 10 10 SER CA C 10 60.991 58.875 2.116 1
1 49 . 12 1 1 A 10 10 SER HA H 10 4.407 4.592 -0.185 1
1 50 . 12 1 1 A 10 10 SER CB C 10 66.161 63.653 2.508 1
1 53 . 12 1 1 A 10 10 SER C C 10 176.964 174.957 2.007 1
1 54 . 12 1 1 A 11 11 GLU N N 11 122.677 119.054 3.623 1
1 55 . 12 1 1 A 11 11 GLU H H 11 8.443 8.452 -0.009 1
1 56 . 12 1 1 A 11 11 GLU CA C 11 58.754 55.714 3.040 1
1 57 . 12 1 1 A 11 11 GLU HA H 11 4.316 4.502 -0.186 1
1 58 . 12 1 1 A 11 11 GLU CB C 11 32.345 30.171 2.174 1
1 64 . 12 1 1 A 11 11 GLU C C 11 178.630 175.867 2.763 1
1 65 . 12 1 1 A 12 12 LEU N N 12 122.751 121.846 0.905 1
1 66 . 12 1 1 A 12 12 LEU H H 12 8.101 7.522 0.579 1
1 67 . 12 1 1 A 12 12 LEU CA C 12 57.200 53.460 3.740 1
1 68 . 12 1 1 A 12 12 LEU HA H 12 4.330 4.742 -0.412 1
1 69 . 12 1 1 A 12 12 LEU CB C 12 44.701 44.422 0.279 1
1 82 . 12 1 1 A 12 12 LEU C C 12 179.430 176.333 3.097 1
1 83 . 12 1 1 A 13 13 GLU N N 13 122.737 121.563 1.174 1
1 84 . 12 1 1 A 13 13 GLU H H 13 8.361 8.356 0.005 1
1 85 . 12 1 1 A 13 13 GLU CA C 13 58.512 56.434 2.078 1
1 86 . 12 1 1 A 13 13 GLU HA H 13 4.272 4.365 -0.093 1
1 87 . 12 1 1 A 13 13 GLU CB C 13 32.697 30.969 1.728 1
1 93 . 12 1 1 A 13 13 GLU C C 13 178.439 176.258 2.181 1
1 94 . 12 1 1 A 14 14 LEU N N 14 124.926 122.175 2.751 1
1 95 . 12 1 1 A 14 14 LEU H H 14 8.476 8.308 0.168 1
1 96 . 12 1 1 A 14 14 LEU CA C 14 54.936 52.330 2.606 1
1 97 . 12 1 1 A 14 14 LEU HA H 14 4.513 4.545 -0.032 1
1 98 . 12 1 1 A 14 14 LEU CB C 14 44.202 41.347 2.855 1
1 111 . 12 1 1 A 14 14 LEU C C 14 176.898 174.775 2.123 1
1 112 . 12 1 1 A 15 15 PRO CA C 15 64.197 62.175 2.022 1
1 113 . 12 1 1 A 15 15 PRO HA H 15 4.505 4.569 -0.064 1
1 114 . 12 1 1 A 15 15 PRO CB C 15 33.625 32.813 0.812 1
1 123 . 12 1 1 A 15 15 PRO C C 15 178.217 176.347 1.870 1
1 124 . 12 1 1 A 16 16 ALA N N 16 123.785 124.525 -0.740 1
1 125 . 12 1 1 A 16 16 ALA H H 16 8.483 8.332 0.151 1
1 126 . 12 1 1 A 16 16 ALA CA C 16 55.949 53.550 2.399 1
1 127 . 12 1 1 A 16 16 ALA HA H 16 4.250 3.976 0.274 1
1 128 . 12 1 1 A 16 16 ALA CB C 16 20.671 18.982 1.689 1
1 132 . 12 1 1 A 16 16 ALA C C 16 180.993 178.312 2.681 1
1 133 . 12 1 1 A 17 17 GLY N N 17 110.361 110.004 0.357 1
1 134 . 12 1 1 A 17 17 GLY H H 17 8.826 8.979 -0.153 1
1 135 . 12 1 1 A 17 17 GLY CA C 17 47.644 45.351 2.293 1
1 136 . 12 1 1 A 17 17 GLY HA2 H 17 3.781 4.032 -0.251 1
1 137 . 12 1 1 A 17 17 GLY HA3 H 17 4.248 4.034 0.214 1
1 138 . 12 1 1 A 17 17 GLY C C 17 175.678 174.431 1.247 1
1 139 . 12 1 1 A 18 18 TRP N N 18 118.683 120.684 -2.001 1
1 140 . 12 1 1 A 18 18 TRP H H 18 7.771 7.832 -0.061 1
1 141 . 12 1 1 A 18 18 TRP CA C 18 59.186 58.044 1.142 1
1 142 . 12 1 1 A 18 18 TRP HA H 18 5.710 4.680 1.030 1
1 143 . 12 1 1 A 18 18 TRP CB C 18 34.117 30.790 3.327 1
1 158 . 12 1 1 A 18 18 TRP C C 18 179.094 175.883 3.211 1
1 159 . 12 1 1 A 19 19 GLU N N 19 122.400 122.316 0.084 1
1 160 . 12 1 1 A 19 19 GLU H H 19 9.431 8.847 0.584 1
1 161 . 12 1 1 A 19 19 GLU CA C 19 57.452 55.770 1.682 1
1 162 . 12 1 1 A 19 19 GLU HA H 19 4.668 4.714 -0.046 1
1 163 . 12 1 1 A 19 19 GLU CB C 19 36.636 32.838 3.798 1
1 169 . 12 1 1 A 19 19 GLU C C 19 176.242 175.062 1.180 1
1 170 . 12 1 1 A 20 20 LYS N N 20 126.826 123.573 3.253 1
1 171 . 12 1 1 A 20 20 LYS H H 20 8.839 8.336 0.503 1
1 172 . 12 1 1 A 20 20 LYS CA C 20 57.834 56.382 1.452 1
1 173 . 12 1 1 A 20 20 LYS HA H 20 4.396 4.361 0.035 1
1 174 . 12 1 1 A 20 20 LYS CB C 20 36.189 32.812 3.377 1
1 186 . 12 1 1 A 20 20 LYS C C 20 176.986 175.736 1.250 1
1 187 . 12 1 1 A 21 21 ILE N N 21 130.514 122.759 7.755 1
1 188 . 12 1 1 A 21 21 ILE H H 21 8.899 8.402 0.497 1
1 189 . 12 1 1 A 21 21 ILE CA C 21 61.347 59.752 1.595 1
1 190 . 12 1 1 A 21 21 ILE HA H 21 4.062 4.665 -0.603 1
1 191 . 12 1 1 A 21 21 ILE CB C 21 40.504 40.820 -0.316 1
1 204 . 12 1 1 A 21 21 ILE C C 21 176.050 174.752 1.298 1
1 205 . 12 1 1 A 22 22 GLU N N 22 124.786 126.926 -2.140 1
1 206 . 12 1 1 A 22 22 GLU H H 22 8.328 8.725 -0.397 1
1 207 . 12 1 1 A 22 22 GLU CA C 22 56.983 55.207 1.776 1
1 208 . 12 1 1 A 22 22 GLU HA H 22 4.439 5.084 -0.645 1
1 209 . 12 1 1 A 22 22 GLU CB C 22 32.206 30.948 1.258 1
1 215 . 12 1 1 A 22 22 GLU C C 22 176.960 174.936 2.024 1
1 216 . 12 1 1 A 23 23 ASP N N 23 128.273 124.513 3.760 1
1 217 . 12 1 1 A 23 23 ASP H H 23 8.412 8.827 -0.415 1
1 218 . 12 1 1 A 23 23 ASP CA C 23 53.796 50.843 2.953 1
1 219 . 12 1 1 A 23 23 ASP HA H 23 5.093 5.184 -0.091 1
1 220 . 12 1 1 A 23 23 ASP CB C 23 47.804 44.543 3.261 1
1 223 . 12 1 1 A 23 23 ASP C C 23 177.989 175.690 2.299 1
1 224 . 12 1 1 A 24 24 PRO CA C 24 66.947 64.138 2.809 1
1 225 . 12 1 1 A 24 24 PRO HA H 24 4.377 4.538 -0.161 1
1 226 . 12 1 1 A 24 24 PRO CB C 24 34.504 31.790 2.714 1
1 235 . 12 1 1 A 24 24 PRO C C 24 178.884 177.008 1.876 1
1 236 . 12 1 1 A 25 25 VAL N N 25 118.954 115.495 3.459 1
1 237 . 12 1 1 A 25 25 VAL H H 25 8.498 8.451 0.047 1
1 238 . 12 1 1 A 25 25 VAL CA C 25 66.276 63.738 2.538 1
1 239 . 12 1 1 A 25 25 VAL HA H 25 3.885 4.122 -0.237 1
1 240 . 12 1 1 A 25 25 VAL CB C 25 35.312 33.568 1.744 1
1 250 . 12 1 1 A 25 25 VAL C C 25 179.867 177.189 2.678 1
1 251 . 12 1 1 A 26 26 TYR N N 26 118.189 116.608 1.581 1
1 252 . 12 1 1 A 26 26 TYR H H 26 8.623 7.865 0.758 1
1 253 . 12 1 1 A 26 26 TYR CA C 26 61.321 58.419 2.902 1
1 254 . 12 1 1 A 26 26 TYR HA H 26 4.495 4.641 -0.146 1
1 255 . 12 1 1 A 26 26 TYR CB C 26 41.356 39.286 2.070 1
1 266 . 12 1 1 A 26 26 TYR C C 26 178.462 176.661 1.801 1
1 267 . 12 1 1 A 27 27 GLY N N 27 110.334 106.687 3.647 1
1 268 . 12 1 1 A 27 27 GLY H H 27 8.220 8.524 -0.304 1
1 269 . 12 1 1 A 27 27 GLY CA C 27 47.221 45.505 1.716 1
1 270 . 12 1 1 A 27 27 GLY HA2 H 27 3.910 4.201 -0.291 1
1 271 . 12 1 1 A 27 27 GLY HA3 H 27 4.389 4.253 0.136 1
1 272 . 12 1 1 A 27 27 GLY C C 27 175.432 173.726 1.706 1
1 273 . 12 1 1 A 28 28 ILE N N 28 121.398 122.584 -1.186 1
1 274 . 12 1 1 A 28 28 ILE H H 28 8.281 8.380 -0.099 1
1 275 . 12 1 1 A 28 28 ILE CA C 28 63.218 60.662 2.556 1
1 276 . 12 1 1 A 28 28 ILE HA H 28 4.885 5.028 -0.143 1
1 277 . 12 1 1 A 28 28 ILE CB C 28 40.979 38.539 2.440 1
1 290 . 12 1 1 A 28 28 ILE C C 28 179.002 174.432 4.570 1
1 291 . 12 1 1 A 29 29 TYR N N 29 124.797 123.988 0.809 1
1 292 . 12 1 1 A 29 29 TYR H H 29 8.812 8.556 0.256 1
1 293 . 12 1 1 A 29 29 TYR CA C 29 58.567 54.890 3.677 1
1 294 . 12 1 1 A 29 29 TYR HA H 29 4.691 4.732 -0.041 1
1 295 . 12 1 1 A 29 29 TYR CB C 29 41.239 41.611 -0.372 1
1 306 . 12 1 1 A 29 29 TYR C C 29 173.343 172.622 0.721 1
1 307 . 12 1 1 A 30 30 TYR N N 30 117.085 122.529 -5.444 1
1 308 . 12 1 1 A 30 30 TYR H H 30 8.925 8.744 0.181 1
1 309 . 12 1 1 A 30 30 TYR CA C 30 59.179 57.907 1.272 1
1 310 . 12 1 1 A 30 30 TYR HA H 30 5.431 4.928 0.503 1
1 311 . 12 1 1 A 30 30 TYR CB C 30 43.770 39.975 3.795 1
1 322 . 12 1 1 A 30 30 TYR C C 30 177.375 175.262 2.113 1
1 323 . 12 1 1 A 31 31 VAL N N 31 121.450 123.447 -1.997 1
1 324 . 12 1 1 A 31 31 VAL H H 31 9.204 9.337 -0.133 1
1 325 . 12 1 1 A 31 31 VAL CA C 31 62.688 61.244 1.444 1
1 326 . 12 1 1 A 31 31 VAL HA H 31 4.633 4.518 0.115 1
1 327 . 12 1 1 A 31 31 VAL CB C 31 37.509 32.797 4.712 1
1 337 . 12 1 1 A 31 31 VAL C C 31 175.631 173.736 1.895 1
1 338 . 12 1 1 A 32 32 ASP N N 32 126.397 128.053 -1.656 1
1 339 . 12 1 1 A 32 32 ASP H H 32 8.361 8.147 0.214 1
1 340 . 12 1 1 A 32 32 ASP CA C 32 53.716 51.827 1.889 1
1 341 . 12 1 1 A 32 32 ASP HA H 32 3.844 4.418 -0.574 1
1 342 . 12 1 1 A 32 32 ASP CB C 32 41.631 39.802 1.829 1
1 345 . 12 1 1 A 32 32 ASP C C 32 179.908 176.397 3.511 1
1 346 . 12 1 1 A 33 33 HIS N N 33 122.272 122.630 -0.358 1
1 347 . 12 1 1 A 33 33 HIS H H 33 8.636 7.987 0.649 1
1 348 . 12 1 1 A 33 33 HIS CA C 33 60.587 57.582 3.005 1
1 349 . 12 1 1 A 33 33 HIS HA H 33 4.269 4.251 0.018 1
1 350 . 12 1 1 A 33 33 HIS CB C 33 33.066 29.068 3.998 1
1 357 . 12 1 1 A 33 33 HIS C C 33 178.929 177.253 1.676 1
1 358 . 12 1 1 A 34 34 ILE N N 34 120.451 120.696 -0.245 1
1 359 . 12 1 1 A 34 34 ILE H H 34 8.133 7.784 0.349 1
1 360 . 12 1 1 A 34 34 ILE CA C 34 65.440 64.349 1.091 1
1 361 . 12 1 1 A 34 34 ILE HA H 34 3.880 3.745 0.135 1
1 362 . 12 1 1 A 34 34 ILE CB C 34 39.306 37.785 1.521 1
1 375 . 12 1 1 A 34 34 ILE C C 34 179.561 177.893 1.668 1
1 376 . 12 1 1 A 35 35 ASN N N 35 116.293 117.426 -1.133 1
1 377 . 12 1 1 A 35 35 ASN H H 35 7.748 7.863 -0.115 1
1 378 . 12 1 1 A 35 35 ASN CA C 35 55.406 53.027 2.379 1
1 379 . 12 1 1 A 35 35 ASN HA H 35 4.623 4.720 -0.097 1
1 380 . 12 1 1 A 35 35 ASN CB C 35 41.081 38.760 2.321 1
1 386 . 12 1 1 A 35 35 ASN C C 35 176.331 174.532 1.799 1
1 387 . 12 1 1 A 36 36 ARG N N 36 118.342 116.170 2.172 1
1 388 . 12 1 1 A 36 36 ARG H H 36 7.691 7.915 -0.224 1
1 389 . 12 1 1 A 36 36 ARG CA C 36 58.927 57.003 1.924 1
1 390 . 12 1 1 A 36 36 ARG HA H 36 3.921 4.124 -0.203 1
1 391 . 12 1 1 A 36 36 ARG CB C 36 28.757 26.950 1.807 1
1 400 . 12 1 1 A 36 36 ARG C C 36 177.156 174.316 2.840 1
1 401 . 12 1 1 A 37 37 LYS N N 37 118.394 114.644 3.750 1
1 402 . 12 1 1 A 37 37 LYS H H 37 7.574 7.381 0.193 1
1 403 . 12 1 1 A 37 37 LYS CA C 37 56.975 54.495 2.480 1
1 404 . 12 1 1 A 37 37 LYS HA H 37 4.761 4.986 -0.225 1
1 405 . 12 1 1 A 37 37 LYS CB C 37 38.331 35.453 2.878 1
1 417 . 12 1 1 A 37 37 LYS C C 37 177.346 175.177 2.169 1
1 418 . 12 1 1 A 38 38 THR N N 38 114.847 114.185 0.662 1
1 419 . 12 1 1 A 38 38 THR H H 38 8.348 8.810 -0.462 1
1 420 . 12 1 1 A 38 38 THR CA C 38 63.013 60.913 2.100 1
1 421 . 12 1 1 A 38 38 THR HA H 38 5.369 5.704 -0.335 1
1 422 . 12 1 1 A 38 38 THR CB C 38 73.561 70.497 3.064 1
1 428 . 12 1 1 A 38 38 THR C C 38 176.244 173.900 2.344 1
1 429 . 12 1 1 A 39 39 GLN N N 39 118.695 123.766 -5.071 1
1 430 . 12 1 1 A 39 39 GLN H H 39 9.258 8.552 0.706 1
1 431 . 12 1 1 A 39 39 GLN CA C 39 57.417 54.552 2.865 1
1 432 . 12 1 1 A 39 39 GLN HA H 39 4.862 5.054 -0.192 1
1 433 . 12 1 1 A 39 39 GLN CB C 39 33.937 32.556 1.381 1
1 442 . 12 1 1 A 39 39 GLN C C 39 176.863 175.076 1.787 1
1 443 . 12 1 1 A 40 40 TYR N N 40 119.839 121.087 -1.248 1
1 444 . 12 1 1 A 40 40 TYR H H 40 8.969 9.108 -0.139 1
1 445 . 12 1 1 A 40 40 TYR CA C 40 62.528 59.812 2.716 1
1 446 . 12 1 1 A 40 40 TYR HA H 40 4.737 4.057 0.680 1
1 447 . 12 1 1 A 40 40 TYR CB C 40 41.283 38.522 2.761 1
1 458 . 12 1 1 A 40 40 TYR C C 40 178.553 176.191 2.362 1
1 459 . 12 1 1 A 41 41 GLU N N 41 119.641 118.809 0.832 1
1 460 . 12 1 1 A 41 41 GLU H H 41 8.136 8.124 0.012 1
1 461 . 12 1 1 A 41 41 GLU CA C 41 58.710 56.785 1.925 1
1 462 . 12 1 1 A 41 41 GLU HA H 41 4.357 4.474 -0.117 1
1 463 . 12 1 1 A 41 41 GLU CB C 41 32.272 30.469 1.803 1
1 469 . 12 1 1 A 41 41 GLU C C 41 177.835 175.658 2.177 1
1 470 . 12 1 1 A 42 42 ASN N N 42 123.220 120.874 2.346 1
1 471 . 12 1 1 A 42 42 ASN H H 42 8.597 8.695 -0.098 1
1 472 . 12 1 1 A 42 42 ASN CA C 42 53.458 49.767 3.691 1
1 473 . 12 1 1 A 42 42 ASN HA H 42 4.351 5.388 -1.037 1
1 474 . 12 1 1 A 42 42 ASN CB C 42 40.674 39.762 0.912 1
1 480 . 12 1 1 A 42 42 ASN C C 42 177.142 174.462 2.680 1
1 481 . 12 1 1 A 43 43 PRO CA C 43 65.366 63.433 1.933 1
1 482 . 12 1 1 A 43 43 PRO HA H 43 3.966 4.501 -0.535 1
1 483 . 12 1 1 A 43 43 PRO CB C 43 33.339 31.828 1.511 1
1 488 . 12 1 1 A 43 43 PRO C C 43 178.905 176.264 2.641 1
1 489 . 12 1 1 A 44 44 SER N N 44 116.274 116.151 0.123 1
1 490 . 12 1 1 A 44 44 SER H H 44 8.245 7.311 0.934 1
1 491 . 12 1 1 A 44 44 SER CA C 44 61.072 59.252 1.820 1
1 492 . 12 1 1 A 44 44 SER HA H 44 4.268 4.202 0.066 1
1 493 . 12 1 1 A 44 44 SER CB C 44 65.891 63.417 2.474 1
1 496 . 12 1 1 A 44 44 SER C C 44 176.440 173.891 2.549 1
1 497 . 12 1 1 A 45 45 GLY N N 45 109.785 111.767 -1.982 1
1 498 . 12 1 1 A 45 45 GLY H H 45 7.793 8.319 -0.526 1
1 499 . 12 1 1 A 45 45 GLY CA C 45 46.773 44.793 1.980 1
1 500 . 12 1 1 A 45 45 GLY HA2 H 45 4.062 4.126 -0.064 1
1 501 . 12 1 1 A 45 45 GLY HA3 H 45 4.016 4.129 -0.113 1
1 502 . 12 1 1 A 45 45 GLY C C 45 173.701 171.759 1.942 1
1 503 . 12 1 1 A 46 46 PRO CA C 46 65.308 62.653 2.655 1
1 504 . 12 1 1 A 46 46 PRO HA H 46 4.479 4.307 0.172 1
1 505 . 12 1 1 A 46 46 PRO CB C 46 34.414 32.591 1.823 1
1 514 . 12 1 1 A 46 46 PRO C C 46 179.687 176.892 2.795 1
1 515 . 12 1 1 A 47 47 SER N N 47 116.800 117.724 -0.924 1
1 516 . 12 1 1 A 47 47 SER H H 47 8.557 8.852 -0.295 1
1 517 . 12 1 1 A 47 47 SER CA C 47 60.610 59.001 1.609 1
1 518 . 12 1 1 A 47 47 SER HA H 47 4.503 4.251 0.252 1
1 519 . 12 1 1 A 47 47 SER CB C 47 66.122 60.999 5.123 1
1 522 . 12 1 1 A 47 47 SER C C 47 177.035 174.238 2.797 1
1 523 . 12 1 1 A 48 48 SER N N 48 118.250 117.695 0.555 1
1 524 . 12 1 1 A 48 48 SER H H 48 8.402 7.831 0.571 1
1 525 . 12 1 1 A 48 48 SER CA C 48 60.804 59.097 1.707 1
1 526 . 12 1 1 A 48 48 SER HA H 48 4.529 4.412 0.117 1
1 527 . 12 1 1 A 48 48 SER CB C 48 66.152 63.982 2.170 1
1 530 . 12 1 1 A 48 48 SER C C 48 176.272 174.351 1.921 1
1 1 . 13 1 1 A 5 5 SER CA C 5 60.635 62.763 -2.128 1
1 2 . 13 1 1 A 5 5 SER HA H 5 4.585 4.226 0.359 1
1 3 . 13 1 1 A 5 5 SER CB C 5 66.298 62.991 3.307 1
1 6 . 13 1 1 A 5 5 SER C C 5 177.168 174.871 2.297 1
1 7 . 13 1 1 A 6 6 SER N N 6 118.338 117.374 0.964 1
1 8 . 13 1 1 A 6 6 SER H H 6 8.569 8.092 0.477 1
1 9 . 13 1 1 A 6 6 SER CA C 6 60.885 57.707 3.178 1
1 10 . 13 1 1 A 6 6 SER HA H 6 4.535 4.898 -0.363 1
1 11 . 13 1 1 A 6 6 SER CB C 6 66.148 63.257 2.891 1
1 14 . 13 1 1 A 6 6 SER C C 6 177.326 173.987 3.339 1
1 15 . 13 1 1 A 7 7 GLY N N 7 111.002 113.762 -2.760 1
1 16 . 13 1 1 A 7 7 GLY H H 7 8.476 8.749 -0.273 1
1 17 . 13 1 1 A 7 7 GLY CA C 7 47.617 44.359 3.258 1
1 18 . 13 1 1 A 7 7 GLY HA2 H 7 4.019 4.109 -0.090 1
1 19 . 13 1 1 A 7 7 GLY HA3 H 7 4.019 4.112 -0.093 1
1 20 . 13 1 1 A 7 7 GLY C C 7 176.492 174.884 1.608 1
1 21 . 13 1 1 A 8 8 LEU N N 8 121.799 119.541 2.258 1
1 22 . 13 1 1 A 8 8 LEU H H 8 8.193 8.605 -0.412 1
1 23 . 13 1 1 A 8 8 LEU CA C 8 57.462 57.705 -0.243 1
1 24 . 13 1 1 A 8 8 LEU HA H 8 4.394 3.907 0.487 1
1 25 . 13 1 1 A 8 8 LEU CB C 8 44.690 41.472 3.218 1
1 37 . 13 1 1 A 8 8 LEU C C 8 179.755 177.804 1.951 1
1 38 . 13 1 1 A 9 9 ASP N N 9 121.308 116.373 4.935 1
1 39 . 13 1 1 A 9 9 ASP H H 9 8.466 7.855 0.611 1
1 40 . 13 1 1 A 9 9 ASP CA C 9 56.935 54.120 2.815 1
1 41 . 13 1 1 A 9 9 ASP HA H 9 4.606 4.927 -0.321 1
1 42 . 13 1 1 A 9 9 ASP CB C 9 43.197 41.447 1.750 1
1 45 . 13 1 1 A 9 9 ASP C C 9 178.791 176.690 2.101 1
1 46 . 13 1 1 A 10 10 SER N N 10 115.813 114.690 1.123 1
1 47 . 13 1 1 A 10 10 SER H H 10 8.187 7.941 0.246 1
1 48 . 13 1 1 A 10 10 SER CA C 10 60.991 58.651 2.340 1
1 49 . 13 1 1 A 10 10 SER HA H 10 4.407 4.544 -0.137 1
1 50 . 13 1 1 A 10 10 SER CB C 10 66.161 63.060 3.101 1
1 53 . 13 1 1 A 10 10 SER C C 10 176.964 174.600 2.364 1
1 54 . 13 1 1 A 11 11 GLU N N 11 122.677 116.722 5.955 1
1 55 . 13 1 1 A 11 11 GLU H H 11 8.443 8.395 0.048 1
1 56 . 13 1 1 A 11 11 GLU CA C 11 58.754 55.853 2.901 1
1 57 . 13 1 1 A 11 11 GLU HA H 11 4.316 4.335 -0.019 1
1 58 . 13 1 1 A 11 11 GLU CB C 11 32.345 29.299 3.046 1
1 64 . 13 1 1 A 11 11 GLU C C 11 178.630 175.739 2.891 1
1 65 . 13 1 1 A 12 12 LEU N N 12 122.751 122.403 0.348 1
1 66 . 13 1 1 A 12 12 LEU H H 12 8.101 7.482 0.619 1
1 67 . 13 1 1 A 12 12 LEU CA C 12 57.200 53.216 3.984 1
1 68 . 13 1 1 A 12 12 LEU HA H 12 4.330 4.573 -0.243 1
1 69 . 13 1 1 A 12 12 LEU CB C 12 44.701 44.007 0.694 1
1 82 . 13 1 1 A 12 12 LEU C C 12 179.430 176.359 3.071 1
1 83 . 13 1 1 A 13 13 GLU N N 13 122.737 121.531 1.206 1
1 84 . 13 1 1 A 13 13 GLU H H 13 8.361 8.536 -0.175 1
1 85 . 13 1 1 A 13 13 GLU CA C 13 58.512 54.820 3.692 1
1 86 . 13 1 1 A 13 13 GLU HA H 13 4.272 4.628 -0.356 1
1 87 . 13 1 1 A 13 13 GLU CB C 13 32.697 31.062 1.635 1
1 93 . 13 1 1 A 13 13 GLU C C 13 178.439 176.183 2.256 1
1 94 . 13 1 1 A 14 14 LEU N N 14 124.926 122.213 2.713 1
1 95 . 13 1 1 A 14 14 LEU H H 14 8.476 8.425 0.051 1
1 96 . 13 1 1 A 14 14 LEU CA C 14 54.936 52.316 2.620 1
1 97 . 13 1 1 A 14 14 LEU HA H 14 4.513 4.563 -0.050 1
1 98 . 13 1 1 A 14 14 LEU CB C 14 44.202 41.323 2.879 1
1 111 . 13 1 1 A 14 14 LEU C C 14 176.898 174.673 2.225 1
1 112 . 13 1 1 A 15 15 PRO CA C 15 64.197 62.204 1.993 1
1 113 . 13 1 1 A 15 15 PRO HA H 15 4.505 4.588 -0.083 1
1 114 . 13 1 1 A 15 15 PRO CB C 15 33.625 32.849 0.776 1
1 123 . 13 1 1 A 15 15 PRO C C 15 178.217 176.372 1.845 1
1 124 . 13 1 1 A 16 16 ALA N N 16 123.785 124.544 -0.759 1
1 125 . 13 1 1 A 16 16 ALA H H 16 8.483 8.346 0.137 1
1 126 . 13 1 1 A 16 16 ALA CA C 16 55.949 53.576 2.373 1
1 127 . 13 1 1 A 16 16 ALA HA H 16 4.250 3.979 0.271 1
1 128 . 13 1 1 A 16 16 ALA CB C 16 20.671 18.999 1.672 1
1 132 . 13 1 1 A 16 16 ALA C C 16 180.993 178.321 2.672 1
1 133 . 13 1 1 A 17 17 GLY N N 17 110.361 109.854 0.507 1
1 134 . 13 1 1 A 17 17 GLY H H 17 8.826 8.910 -0.084 1
1 135 . 13 1 1 A 17 17 GLY CA C 17 47.644 45.266 2.378 1
1 136 . 13 1 1 A 17 17 GLY HA2 H 17 3.781 3.985 -0.204 1
1 137 . 13 1 1 A 17 17 GLY HA3 H 17 4.248 4.019 0.229 1
1 138 . 13 1 1 A 17 17 GLY C C 17 175.678 174.307 1.371 1
1 139 . 13 1 1 A 18 18 TRP N N 18 118.683 120.721 -2.038 1
1 140 . 13 1 1 A 18 18 TRP H H 18 7.771 7.819 -0.048 1
1 141 . 13 1 1 A 18 18 TRP CA C 18 59.186 57.911 1.275 1
1 142 . 13 1 1 A 18 18 TRP HA H 18 5.710 4.727 0.983 1
1 143 . 13 1 1 A 18 18 TRP CB C 18 34.117 30.430 3.687 1
1 158 . 13 1 1 A 18 18 TRP C C 18 179.094 175.781 3.313 1
1 159 . 13 1 1 A 19 19 GLU N N 19 122.400 123.051 -0.651 1
1 160 . 13 1 1 A 19 19 GLU H H 19 9.431 8.552 0.879 1
1 161 . 13 1 1 A 19 19 GLU CA C 19 57.452 55.623 1.829 1
1 162 . 13 1 1 A 19 19 GLU HA H 19 4.668 4.803 -0.135 1
1 163 . 13 1 1 A 19 19 GLU CB C 19 36.636 33.126 3.510 1
1 169 . 13 1 1 A 19 19 GLU C C 19 176.242 175.389 0.853 1
1 170 . 13 1 1 A 20 20 LYS N N 20 126.826 124.167 2.659 1
1 171 . 13 1 1 A 20 20 LYS H H 20 8.839 8.399 0.440 1
1 172 . 13 1 1 A 20 20 LYS CA C 20 57.834 56.406 1.428 1
1 173 . 13 1 1 A 20 20 LYS HA H 20 4.396 4.336 0.060 1
1 174 . 13 1 1 A 20 20 LYS CB C 20 36.189 32.805 3.384 1
1 186 . 13 1 1 A 20 20 LYS C C 20 176.986 175.810 1.176 1
1 187 . 13 1 1 A 21 21 ILE N N 21 130.514 122.707 7.807 1
1 188 . 13 1 1 A 21 21 ILE H H 21 8.899 8.332 0.567 1
1 189 . 13 1 1 A 21 21 ILE CA C 21 61.347 59.589 1.758 1
1 190 . 13 1 1 A 21 21 ILE HA H 21 4.062 4.689 -0.627 1
1 191 . 13 1 1 A 21 21 ILE CB C 21 40.504 41.085 -0.581 1
1 204 . 13 1 1 A 21 21 ILE C C 21 176.050 174.745 1.305 1
1 205 . 13 1 1 A 22 22 GLU N N 22 124.786 126.920 -2.134 1
1 206 . 13 1 1 A 22 22 GLU H H 22 8.328 8.691 -0.363 1
1 207 . 13 1 1 A 22 22 GLU CA C 22 56.983 55.206 1.777 1
1 208 . 13 1 1 A 22 22 GLU HA H 22 4.439 5.096 -0.657 1
1 209 . 13 1 1 A 22 22 GLU CB C 22 32.206 31.049 1.157 1
1 215 . 13 1 1 A 22 22 GLU C C 22 176.960 174.996 1.964 1
1 216 . 13 1 1 A 23 23 ASP N N 23 128.273 124.245 4.028 1
1 217 . 13 1 1 A 23 23 ASP H H 23 8.412 8.780 -0.368 1
1 218 . 13 1 1 A 23 23 ASP CA C 23 53.796 50.820 2.976 1
1 219 . 13 1 1 A 23 23 ASP HA H 23 5.093 5.196 -0.103 1
1 220 . 13 1 1 A 23 23 ASP CB C 23 47.804 44.519 3.285 1
1 223 . 13 1 1 A 23 23 ASP C C 23 177.989 175.672 2.317 1
1 224 . 13 1 1 A 24 24 PRO CA C 24 66.947 64.140 2.807 1
1 225 . 13 1 1 A 24 24 PRO HA H 24 4.377 4.511 -0.134 1
1 226 . 13 1 1 A 24 24 PRO CB C 24 34.504 31.795 2.709 1
1 235 . 13 1 1 A 24 24 PRO C C 24 178.884 177.088 1.796 1
1 236 . 13 1 1 A 25 25 VAL N N 25 118.954 115.510 3.444 1
1 237 . 13 1 1 A 25 25 VAL H H 25 8.498 8.050 0.448 1
1 238 . 13 1 1 A 25 25 VAL CA C 25 66.276 63.792 2.484 1
1 239 . 13 1 1 A 25 25 VAL HA H 25 3.885 4.071 -0.186 1
1 240 . 13 1 1 A 25 25 VAL CB C 25 35.312 33.512 1.800 1
1 250 . 13 1 1 A 25 25 VAL C C 25 179.867 177.093 2.774 1
1 251 . 13 1 1 A 26 26 TYR N N 26 118.189 116.617 1.572 1
1 252 . 13 1 1 A 26 26 TYR H H 26 8.623 7.883 0.740 1
1 253 . 13 1 1 A 26 26 TYR CA C 26 61.321 58.424 2.897 1
1 254 . 13 1 1 A 26 26 TYR HA H 26 4.495 4.645 -0.150 1
1 255 . 13 1 1 A 26 26 TYR CB C 26 41.356 39.267 2.089 1
1 266 . 13 1 1 A 26 26 TYR C C 26 178.462 176.675 1.787 1
1 267 . 13 1 1 A 27 27 GLY N N 27 110.334 106.687 3.647 1
1 268 . 13 1 1 A 27 27 GLY H H 27 8.220 8.514 -0.294 1
1 269 . 13 1 1 A 27 27 GLY CA C 27 47.221 45.572 1.649 1
1 270 . 13 1 1 A 27 27 GLY HA2 H 27 3.910 4.208 -0.298 1
1 271 . 13 1 1 A 27 27 GLY HA3 H 27 4.389 4.270 0.119 1
1 272 . 13 1 1 A 27 27 GLY C C 27 175.432 173.749 1.683 1
1 273 . 13 1 1 A 28 28 ILE N N 28 121.398 122.645 -1.247 1
1 274 . 13 1 1 A 28 28 ILE H H 28 8.281 8.434 -0.153 1
1 275 . 13 1 1 A 28 28 ILE CA C 28 63.218 60.701 2.517 1
1 276 . 13 1 1 A 28 28 ILE HA H 28 4.885 5.075 -0.190 1
1 277 . 13 1 1 A 28 28 ILE CB C 28 40.979 38.575 2.404 1
1 290 . 13 1 1 A 28 28 ILE C C 28 179.002 174.489 4.513 1
1 291 . 13 1 1 A 29 29 TYR N N 29 124.797 124.290 0.507 1
1 292 . 13 1 1 A 29 29 TYR H H 29 8.812 8.547 0.265 1
1 293 . 13 1 1 A 29 29 TYR CA C 29 58.567 54.821 3.746 1
1 294 . 13 1 1 A 29 29 TYR HA H 29 4.691 4.830 -0.139 1
1 295 . 13 1 1 A 29 29 TYR CB C 29 41.239 41.467 -0.228 1
1 306 . 13 1 1 A 29 29 TYR C C 29 173.343 172.745 0.598 1
1 307 . 13 1 1 A 30 30 TYR N N 30 117.085 122.572 -5.487 1
1 308 . 13 1 1 A 30 30 TYR H H 30 8.925 8.438 0.487 1
1 309 . 13 1 1 A 30 30 TYR CA C 30 59.179 57.701 1.478 1
1 310 . 13 1 1 A 30 30 TYR HA H 30 5.431 4.940 0.491 1
1 311 . 13 1 1 A 30 30 TYR CB C 30 43.770 39.897 3.873 1
1 322 . 13 1 1 A 30 30 TYR C C 30 177.375 175.030 2.345 1
1 323 . 13 1 1 A 31 31 VAL N N 31 121.450 123.782 -2.332 1
1 324 . 13 1 1 A 31 31 VAL H H 31 9.204 9.210 -0.006 1
1 325 . 13 1 1 A 31 31 VAL CA C 31 62.688 61.028 1.660 1
1 326 . 13 1 1 A 31 31 VAL HA H 31 4.633 4.511 0.122 1
1 327 . 13 1 1 A 31 31 VAL CB C 31 37.509 33.011 4.498 1
1 337 . 13 1 1 A 31 31 VAL C C 31 175.631 174.249 1.382 1
1 338 . 13 1 1 A 32 32 ASP N N 32 126.397 127.495 -1.098 1
1 339 . 13 1 1 A 32 32 ASP H H 32 8.361 8.367 -0.006 1
1 340 . 13 1 1 A 32 32 ASP CA C 32 53.716 53.471 0.245 1
1 341 . 13 1 1 A 32 32 ASP HA H 32 3.844 4.745 -0.901 1
1 342 . 13 1 1 A 32 32 ASP CB C 32 41.631 41.098 0.533 1
1 345 . 13 1 1 A 32 32 ASP C C 32 179.908 175.745 4.163 1
1 346 . 13 1 1 A 33 33 HIS N N 33 122.272 121.588 0.684 1
1 347 . 13 1 1 A 33 33 HIS H H 33 8.636 8.240 0.396 1
1 348 . 13 1 1 A 33 33 HIS CA C 33 60.587 57.376 3.211 1
1 349 . 13 1 1 A 33 33 HIS HA H 33 4.269 4.519 -0.250 1
1 350 . 13 1 1 A 33 33 HIS CB C 33 33.066 29.949 3.117 1
1 357 . 13 1 1 A 33 33 HIS C C 33 178.929 176.219 2.710 1
1 358 . 13 1 1 A 34 34 ILE N N 34 120.451 120.029 0.422 1
1 359 . 13 1 1 A 34 34 ILE H H 34 8.133 7.570 0.563 1
1 360 . 13 1 1 A 34 34 ILE CA C 34 65.440 63.288 2.152 1
1 361 . 13 1 1 A 34 34 ILE HA H 34 3.880 3.898 -0.018 1
1 362 . 13 1 1 A 34 34 ILE CB C 34 39.306 38.629 0.677 1
1 375 . 13 1 1 A 34 34 ILE C C 34 179.561 177.380 2.181 1
1 376 . 13 1 1 A 35 35 ASN N N 35 116.293 116.676 -0.383 1
1 377 . 13 1 1 A 35 35 ASN H H 35 7.748 7.887 -0.139 1
1 378 . 13 1 1 A 35 35 ASN CA C 35 55.406 52.644 2.762 1
1 379 . 13 1 1 A 35 35 ASN HA H 35 4.623 4.768 -0.145 1
1 380 . 13 1 1 A 35 35 ASN CB C 35 41.081 39.213 1.868 1
1 386 . 13 1 1 A 35 35 ASN C C 35 176.331 174.431 1.900 1
1 387 . 13 1 1 A 36 36 ARG N N 36 118.342 116.562 1.780 1
1 388 . 13 1 1 A 36 36 ARG H H 36 7.691 7.711 -0.020 1
1 389 . 13 1 1 A 36 36 ARG CA C 36 58.927 56.990 1.937 1
1 390 . 13 1 1 A 36 36 ARG HA H 36 3.921 4.131 -0.210 1
1 391 . 13 1 1 A 36 36 ARG CB C 36 28.757 26.946 1.811 1
1 400 . 13 1 1 A 36 36 ARG C C 36 177.156 174.298 2.858 1
1 401 . 13 1 1 A 37 37 LYS N N 37 118.394 114.814 3.580 1
1 402 . 13 1 1 A 37 37 LYS H H 37 7.574 7.459 0.115 1
1 403 . 13 1 1 A 37 37 LYS CA C 37 56.975 54.407 2.568 1
1 404 . 13 1 1 A 37 37 LYS HA H 37 4.761 4.992 -0.231 1
1 405 . 13 1 1 A 37 37 LYS CB C 37 38.331 35.263 3.068 1
1 417 . 13 1 1 A 37 37 LYS C C 37 177.346 175.166 2.180 1
1 418 . 13 1 1 A 38 38 THR N N 38 114.847 114.936 -0.089 1
1 419 . 13 1 1 A 38 38 THR H H 38 8.348 8.800 -0.452 1
1 420 . 13 1 1 A 38 38 THR CA C 38 63.013 60.800 2.213 1
1 421 . 13 1 1 A 38 38 THR HA H 38 5.369 5.630 -0.261 1
1 422 . 13 1 1 A 38 38 THR CB C 38 73.561 70.537 3.024 1
1 428 . 13 1 1 A 38 38 THR C C 38 176.244 174.097 2.147 1
1 429 . 13 1 1 A 39 39 GLN N N 39 118.695 123.191 -4.496 1
1 430 . 13 1 1 A 39 39 GLN H H 39 9.258 8.593 0.665 1
1 431 . 13 1 1 A 39 39 GLN CA C 39 57.417 54.590 2.827 1
1 432 . 13 1 1 A 39 39 GLN HA H 39 4.862 5.063 -0.201 1
1 433 . 13 1 1 A 39 39 GLN CB C 39 33.937 32.840 1.097 1
1 442 . 13 1 1 A 39 39 GLN C C 39 176.863 174.922 1.941 1
1 443 . 13 1 1 A 40 40 TYR N N 40 119.839 120.869 -1.030 1
1 444 . 13 1 1 A 40 40 TYR H H 40 8.969 9.019 -0.050 1
1 445 . 13 1 1 A 40 40 TYR CA C 40 62.528 59.896 2.632 1
1 446 . 13 1 1 A 40 40 TYR HA H 40 4.737 4.155 0.582 1
1 447 . 13 1 1 A 40 40 TYR CB C 40 41.283 38.758 2.525 1
1 458 . 13 1 1 A 40 40 TYR C C 40 178.553 176.050 2.503 1
1 459 . 13 1 1 A 41 41 GLU N N 41 119.641 118.709 0.932 1
1 460 . 13 1 1 A 41 41 GLU H H 41 8.136 8.117 0.019 1
1 461 . 13 1 1 A 41 41 GLU CA C 41 58.710 56.752 1.958 1
1 462 . 13 1 1 A 41 41 GLU HA H 41 4.357 4.456 -0.099 1
1 463 . 13 1 1 A 41 41 GLU CB C 41 32.272 30.490 1.782 1
1 469 . 13 1 1 A 41 41 GLU C C 41 177.835 175.709 2.126 1
1 470 . 13 1 1 A 42 42 ASN N N 42 123.220 120.885 2.335 1
1 471 . 13 1 1 A 42 42 ASN H H 42 8.597 8.686 -0.089 1
1 472 . 13 1 1 A 42 42 ASN CA C 42 53.458 49.819 3.639 1
1 473 . 13 1 1 A 42 42 ASN HA H 42 4.351 5.476 -1.125 1
1 474 . 13 1 1 A 42 42 ASN CB C 42 40.674 39.802 0.872 1
1 480 . 13 1 1 A 42 42 ASN C C 42 177.142 174.451 2.691 1
1 481 . 13 1 1 A 43 43 PRO CA C 43 65.366 63.426 1.940 1
1 482 . 13 1 1 A 43 43 PRO HA H 43 3.966 4.437 -0.471 1
1 483 . 13 1 1 A 43 43 PRO CB C 43 33.339 31.773 1.566 1
1 488 . 13 1 1 A 43 43 PRO C C 43 178.905 176.235 2.670 1
1 489 . 13 1 1 A 44 44 SER N N 44 116.274 116.115 0.159 1
1 490 . 13 1 1 A 44 44 SER H H 44 8.245 7.319 0.926 1
1 491 . 13 1 1 A 44 44 SER CA C 44 61.072 59.201 1.871 1
1 492 . 13 1 1 A 44 44 SER HA H 44 4.268 4.222 0.046 1
1 493 . 13 1 1 A 44 44 SER CB C 44 65.891 63.654 2.237 1
1 496 . 13 1 1 A 44 44 SER C C 44 176.440 173.891 2.549 1
1 497 . 13 1 1 A 45 45 GLY N N 45 109.785 110.972 -1.187 1
1 498 . 13 1 1 A 45 45 GLY H H 45 7.793 8.291 -0.498 1
1 499 . 13 1 1 A 45 45 GLY CA C 45 46.773 44.972 1.801 1
1 500 . 13 1 1 A 45 45 GLY HA2 H 45 4.062 4.130 -0.068 1
1 501 . 13 1 1 A 45 45 GLY HA3 H 45 4.016 4.134 -0.118 1
1 502 . 13 1 1 A 45 45 GLY C C 45 173.701 171.600 2.101 1
1 503 . 13 1 1 A 46 46 PRO CA C 46 65.308 62.613 2.695 1
1 504 . 13 1 1 A 46 46 PRO HA H 46 4.479 4.723 -0.244 1
1 505 . 13 1 1 A 46 46 PRO CB C 46 34.414 31.802 2.612 1
1 514 . 13 1 1 A 46 46 PRO C C 46 179.687 177.861 1.826 1
1 515 . 13 1 1 A 47 47 SER N N 47 116.800 119.598 -2.798 1
1 516 . 13 1 1 A 47 47 SER H H 47 8.557 8.638 -0.081 1
1 517 . 13 1 1 A 47 47 SER CA C 47 60.610 60.936 -0.326 1
1 518 . 13 1 1 A 47 47 SER HA H 47 4.503 4.371 0.132 1
1 519 . 13 1 1 A 47 47 SER CB C 47 66.122 63.546 2.576 1
1 522 . 13 1 1 A 47 47 SER C C 47 177.035 174.265 2.770 1
1 523 . 13 1 1 A 48 48 SER N N 48 118.250 110.365 7.885 1
1 524 . 13 1 1 A 48 48 SER H H 48 8.402 7.805 0.597 1
1 525 . 13 1 1 A 48 48 SER CA C 48 60.804 57.078 3.726 1
1 526 . 13 1 1 A 48 48 SER HA H 48 4.529 4.676 -0.147 1
1 527 . 13 1 1 A 48 48 SER CB C 48 66.152 65.558 0.594 1
1 530 . 13 1 1 A 48 48 SER C C 48 176.272 174.372 1.900 1
1 1 . 14 1 1 A 5 5 SER CA C 5 60.635 59.234 1.401 1
1 2 . 14 1 1 A 5 5 SER HA H 5 4.585 4.153 0.432 1
1 3 . 14 1 1 A 5 5 SER CB C 5 66.298 61.894 4.404 1
1 6 . 14 1 1 A 5 5 SER C C 5 177.168 174.170 2.998 1
1 7 . 14 1 1 A 6 6 SER N N 6 118.338 114.426 3.912 1
1 8 . 14 1 1 A 6 6 SER H H 6 8.569 7.746 0.823 1
1 9 . 14 1 1 A 6 6 SER CA C 6 60.885 61.746 -0.861 1
1 10 . 14 1 1 A 6 6 SER HA H 6 4.535 4.147 0.388 1
1 11 . 14 1 1 A 6 6 SER CB C 6 66.148 62.830 3.318 1
1 14 . 14 1 1 A 6 6 SER C C 6 177.326 175.339 1.987 1
1 15 . 14 1 1 A 7 7 GLY N N 7 111.002 108.895 2.107 1
1 16 . 14 1 1 A 7 7 GLY H H 7 8.476 8.006 0.470 1
1 17 . 14 1 1 A 7 7 GLY CA C 7 47.617 47.322 0.295 1
1 18 . 14 1 1 A 7 7 GLY HA2 H 7 4.019 3.855 0.164 1
1 19 . 14 1 1 A 7 7 GLY HA3 H 7 4.019 3.857 0.162 1
1 20 . 14 1 1 A 7 7 GLY C C 7 176.492 173.995 2.497 1
1 21 . 14 1 1 A 8 8 LEU N N 8 121.799 124.346 -2.547 1
1 22 . 14 1 1 A 8 8 LEU H H 8 8.193 8.222 -0.029 1
1 23 . 14 1 1 A 8 8 LEU CA C 8 57.462 53.872 3.590 1
1 24 . 14 1 1 A 8 8 LEU HA H 8 4.394 4.662 -0.268 1
1 25 . 14 1 1 A 8 8 LEU CB C 8 44.690 43.417 1.273 1
1 37 . 14 1 1 A 8 8 LEU C C 8 179.755 175.262 4.493 1
1 38 . 14 1 1 A 9 9 ASP N N 9 121.308 120.339 0.969 1
1 39 . 14 1 1 A 9 9 ASP H H 9 8.466 8.967 -0.501 1
1 40 . 14 1 1 A 9 9 ASP CA C 9 56.935 53.054 3.881 1
1 41 . 14 1 1 A 9 9 ASP HA H 9 4.606 5.201 -0.595 1
1 42 . 14 1 1 A 9 9 ASP CB C 9 43.197 41.943 1.254 1
1 45 . 14 1 1 A 9 9 ASP C C 9 178.791 175.794 2.997 1
1 46 . 14 1 1 A 10 10 SER N N 10 115.813 120.843 -5.030 1
1 47 . 14 1 1 A 10 10 SER H H 10 8.187 8.887 -0.700 1
1 48 . 14 1 1 A 10 10 SER CA C 10 60.991 58.313 2.678 1
1 49 . 14 1 1 A 10 10 SER HA H 10 4.407 4.716 -0.309 1
1 50 . 14 1 1 A 10 10 SER CB C 10 66.161 63.674 2.487 1
1 53 . 14 1 1 A 10 10 SER C C 10 176.964 174.900 2.064 1
1 54 . 14 1 1 A 11 11 GLU N N 11 122.677 118.087 4.590 1
1 55 . 14 1 1 A 11 11 GLU H H 11 8.443 8.472 -0.029 1
1 56 . 14 1 1 A 11 11 GLU CA C 11 58.754 55.715 3.039 1
1 57 . 14 1 1 A 11 11 GLU HA H 11 4.316 4.487 -0.171 1
1 58 . 14 1 1 A 11 11 GLU CB C 11 32.345 29.892 2.453 1
1 64 . 14 1 1 A 11 11 GLU C C 11 178.630 175.816 2.814 1
1 65 . 14 1 1 A 12 12 LEU N N 12 122.751 121.936 0.815 1
1 66 . 14 1 1 A 12 12 LEU H H 12 8.101 7.481 0.620 1
1 67 . 14 1 1 A 12 12 LEU CA C 12 57.200 53.323 3.877 1
1 68 . 14 1 1 A 12 12 LEU HA H 12 4.330 4.769 -0.439 1
1 69 . 14 1 1 A 12 12 LEU CB C 12 44.701 45.173 -0.472 1
1 82 . 14 1 1 A 12 12 LEU C C 12 179.430 176.019 3.411 1
1 83 . 14 1 1 A 13 13 GLU N N 13 122.737 120.880 1.857 1
1 84 . 14 1 1 A 13 13 GLU H H 13 8.361 8.411 -0.050 1
1 85 . 14 1 1 A 13 13 GLU CA C 13 58.512 55.068 3.444 1
1 86 . 14 1 1 A 13 13 GLU HA H 13 4.272 4.583 -0.311 1
1 87 . 14 1 1 A 13 13 GLU CB C 13 32.697 31.193 1.504 1
1 93 . 14 1 1 A 13 13 GLU C C 13 178.439 176.284 2.155 1
1 94 . 14 1 1 A 14 14 LEU N N 14 124.926 121.901 3.025 1
1 95 . 14 1 1 A 14 14 LEU H H 14 8.476 8.409 0.067 1
1 96 . 14 1 1 A 14 14 LEU CA C 14 54.936 52.437 2.499 1
1 97 . 14 1 1 A 14 14 LEU HA H 14 4.513 4.553 -0.040 1
1 98 . 14 1 1 A 14 14 LEU CB C 14 44.202 41.255 2.947 1
1 111 . 14 1 1 A 14 14 LEU C C 14 176.898 174.578 2.320 1
1 112 . 14 1 1 A 15 15 PRO CA C 15 64.197 62.225 1.972 1
1 113 . 14 1 1 A 15 15 PRO HA H 15 4.505 4.585 -0.080 1
1 114 . 14 1 1 A 15 15 PRO CB C 15 33.625 32.871 0.754 1
1 123 . 14 1 1 A 15 15 PRO C C 15 178.217 176.372 1.845 1
1 124 . 14 1 1 A 16 16 ALA N N 16 123.785 124.788 -1.003 1
1 125 . 14 1 1 A 16 16 ALA H H 16 8.483 8.339 0.144 1
1 126 . 14 1 1 A 16 16 ALA CA C 16 55.949 53.745 2.204 1
1 127 . 14 1 1 A 16 16 ALA HA H 16 4.250 3.974 0.276 1
1 128 . 14 1 1 A 16 16 ALA CB C 16 20.671 18.770 1.901 1
1 132 . 14 1 1 A 16 16 ALA C C 16 180.993 178.276 2.717 1
1 133 . 14 1 1 A 17 17 GLY N N 17 110.361 109.919 0.442 1
1 134 . 14 1 1 A 17 17 GLY H H 17 8.826 8.957 -0.131 1
1 135 . 14 1 1 A 17 17 GLY CA C 17 47.644 45.172 2.472 1
1 136 . 14 1 1 A 17 17 GLY HA2 H 17 3.781 4.013 -0.232 1
1 137 . 14 1 1 A 17 17 GLY HA3 H 17 4.248 4.028 0.220 1
1 138 . 14 1 1 A 17 17 GLY C C 17 175.678 174.426 1.252 1
1 139 . 14 1 1 A 18 18 TRP N N 18 118.683 120.743 -2.060 1
1 140 . 14 1 1 A 18 18 TRP H H 18 7.771 7.425 0.346 1
1 141 . 14 1 1 A 18 18 TRP CA C 18 59.186 57.771 1.415 1
1 142 . 14 1 1 A 18 18 TRP HA H 18 5.710 4.756 0.954 1
1 143 . 14 1 1 A 18 18 TRP CB C 18 34.117 30.501 3.616 1
1 158 . 14 1 1 A 18 18 TRP C C 18 179.094 175.788 3.306 1
1 159 . 14 1 1 A 19 19 GLU N N 19 122.400 123.058 -0.658 1
1 160 . 14 1 1 A 19 19 GLU H H 19 9.431 9.002 0.429 1
1 161 . 14 1 1 A 19 19 GLU CA C 19 57.452 55.276 2.176 1
1 162 . 14 1 1 A 19 19 GLU HA H 19 4.668 4.889 -0.221 1
1 163 . 14 1 1 A 19 19 GLU CB C 19 36.636 33.302 3.334 1
1 169 . 14 1 1 A 19 19 GLU C C 19 176.242 175.273 0.969 1
1 170 . 14 1 1 A 20 20 LYS N N 20 126.826 124.765 2.061 1
1 171 . 14 1 1 A 20 20 LYS H H 20 8.839 8.470 0.369 1
1 172 . 14 1 1 A 20 20 LYS CA C 20 57.834 56.365 1.469 1
1 173 . 14 1 1 A 20 20 LYS HA H 20 4.396 4.325 0.071 1
1 174 . 14 1 1 A 20 20 LYS CB C 20 36.189 32.793 3.396 1
1 186 . 14 1 1 A 20 20 LYS C C 20 176.986 175.920 1.066 1
1 187 . 14 1 1 A 21 21 ILE N N 21 130.514 122.543 7.971 1
1 188 . 14 1 1 A 21 21 ILE H H 21 8.899 8.256 0.643 1
1 189 . 14 1 1 A 21 21 ILE CA C 21 61.347 59.557 1.790 1
1 190 . 14 1 1 A 21 21 ILE HA H 21 4.062 4.683 -0.621 1
1 191 . 14 1 1 A 21 21 ILE CB C 21 40.504 41.306 -0.802 1
1 204 . 14 1 1 A 21 21 ILE C C 21 176.050 174.476 1.574 1
1 205 . 14 1 1 A 22 22 GLU N N 22 124.786 126.347 -1.561 1
1 206 . 14 1 1 A 22 22 GLU H H 22 8.328 8.683 -0.355 1
1 207 . 14 1 1 A 22 22 GLU CA C 22 56.983 55.128 1.855 1
1 208 . 14 1 1 A 22 22 GLU HA H 22 4.439 4.959 -0.520 1
1 209 . 14 1 1 A 22 22 GLU CB C 22 32.206 31.038 1.168 1
1 215 . 14 1 1 A 22 22 GLU C C 22 176.960 174.949 2.011 1
1 216 . 14 1 1 A 23 23 ASP N N 23 128.273 124.486 3.787 1
1 217 . 14 1 1 A 23 23 ASP H H 23 8.412 8.766 -0.354 1
1 218 . 14 1 1 A 23 23 ASP CA C 23 53.796 50.779 3.017 1
1 219 . 14 1 1 A 23 23 ASP HA H 23 5.093 5.152 -0.059 1
1 220 . 14 1 1 A 23 23 ASP CB C 23 47.804 44.345 3.459 1
1 223 . 14 1 1 A 23 23 ASP C C 23 177.989 175.684 2.305 1
1 224 . 14 1 1 A 24 24 PRO CA C 24 66.947 64.138 2.809 1
1 225 . 14 1 1 A 24 24 PRO HA H 24 4.377 4.528 -0.151 1
1 226 . 14 1 1 A 24 24 PRO CB C 24 34.504 31.789 2.715 1
1 235 . 14 1 1 A 24 24 PRO C C 24 178.884 177.089 1.795 1
1 236 . 14 1 1 A 25 25 VAL N N 25 118.954 115.512 3.442 1
1 237 . 14 1 1 A 25 25 VAL H H 25 8.498 8.392 0.106 1
1 238 . 14 1 1 A 25 25 VAL CA C 25 66.276 63.789 2.487 1
1 239 . 14 1 1 A 25 25 VAL HA H 25 3.885 4.069 -0.184 1
1 240 . 14 1 1 A 25 25 VAL CB C 25 35.312 33.502 1.810 1
1 250 . 14 1 1 A 25 25 VAL C C 25 179.867 177.087 2.780 1
1 251 . 14 1 1 A 26 26 TYR N N 26 118.189 116.725 1.464 1
1 252 . 14 1 1 A 26 26 TYR H H 26 8.623 7.980 0.643 1
1 253 . 14 1 1 A 26 26 TYR CA C 26 61.321 58.444 2.877 1
1 254 . 14 1 1 A 26 26 TYR HA H 26 4.495 4.654 -0.159 1
1 255 . 14 1 1 A 26 26 TYR CB C 26 41.356 39.326 2.030 1
1 266 . 14 1 1 A 26 26 TYR C C 26 178.462 176.662 1.800 1
1 267 . 14 1 1 A 27 27 GLY N N 27 110.334 106.664 3.670 1
1 268 . 14 1 1 A 27 27 GLY H H 27 8.220 8.539 -0.319 1
1 269 . 14 1 1 A 27 27 GLY CA C 27 47.221 45.397 1.824 1
1 270 . 14 1 1 A 27 27 GLY HA2 H 27 3.910 4.196 -0.286 1
1 271 . 14 1 1 A 27 27 GLY HA3 H 27 4.389 4.250 0.139 1
1 272 . 14 1 1 A 27 27 GLY C C 27 175.432 173.684 1.748 1
1 273 . 14 1 1 A 28 28 ILE N N 28 121.398 122.227 -0.829 1
1 274 . 14 1 1 A 28 28 ILE H H 28 8.281 8.336 -0.055 1
1 275 . 14 1 1 A 28 28 ILE CA C 28 63.218 60.654 2.564 1
1 276 . 14 1 1 A 28 28 ILE HA H 28 4.885 4.939 -0.054 1
1 277 . 14 1 1 A 28 28 ILE CB C 28 40.979 38.490 2.489 1
1 290 . 14 1 1 A 28 28 ILE C C 28 179.002 174.382 4.620 1
1 291 . 14 1 1 A 29 29 TYR N N 29 124.797 124.595 0.202 1
1 292 . 14 1 1 A 29 29 TYR H H 29 8.812 8.526 0.286 1
1 293 . 14 1 1 A 29 29 TYR CA C 29 58.567 54.941 3.626 1
1 294 . 14 1 1 A 29 29 TYR HA H 29 4.691 5.000 -0.309 1
1 295 . 14 1 1 A 29 29 TYR CB C 29 41.239 41.803 -0.564 1
1 306 . 14 1 1 A 29 29 TYR C C 29 173.343 173.034 0.309 1
1 307 . 14 1 1 A 30 30 TYR N N 30 117.085 122.643 -5.558 1
1 308 . 14 1 1 A 30 30 TYR H H 30 8.925 8.806 0.119 1
1 309 . 14 1 1 A 30 30 TYR CA C 30 59.179 57.847 1.332 1
1 310 . 14 1 1 A 30 30 TYR HA H 30 5.431 4.974 0.457 1
1 311 . 14 1 1 A 30 30 TYR CB C 30 43.770 39.995 3.775 1
1 322 . 14 1 1 A 30 30 TYR C C 30 177.375 175.266 2.109 1
1 323 . 14 1 1 A 31 31 VAL N N 31 121.450 123.789 -2.339 1
1 324 . 14 1 1 A 31 31 VAL H H 31 9.204 9.365 -0.161 1
1 325 . 14 1 1 A 31 31 VAL CA C 31 62.688 61.365 1.323 1
1 326 . 14 1 1 A 31 31 VAL HA H 31 4.633 4.528 0.105 1
1 327 . 14 1 1 A 31 31 VAL CB C 31 37.509 32.917 4.592 1
1 337 . 14 1 1 A 31 31 VAL C C 31 175.631 173.604 2.027 1
1 338 . 14 1 1 A 32 32 ASP N N 32 126.397 128.083 -1.686 1
1 339 . 14 1 1 A 32 32 ASP H H 32 8.361 8.444 -0.083 1
1 340 . 14 1 1 A 32 32 ASP CA C 32 53.716 51.979 1.737 1
1 341 . 14 1 1 A 32 32 ASP HA H 32 3.844 4.254 -0.410 1
1 342 . 14 1 1 A 32 32 ASP CB C 32 41.631 39.548 2.083 1
1 345 . 14 1 1 A 32 32 ASP C C 32 179.908 176.457 3.451 1
1 346 . 14 1 1 A 33 33 HIS N N 33 122.272 122.651 -0.379 1
1 347 . 14 1 1 A 33 33 HIS H H 33 8.636 8.354 0.282 1
1 348 . 14 1 1 A 33 33 HIS CA C 33 60.587 57.885 2.702 1
1 349 . 14 1 1 A 33 33 HIS HA H 33 4.269 4.306 -0.037 1
1 350 . 14 1 1 A 33 33 HIS CB C 33 33.066 28.987 4.079 1
1 357 . 14 1 1 A 33 33 HIS C C 33 178.929 176.616 2.313 1
1 358 . 14 1 1 A 34 34 ILE N N 34 120.451 120.063 0.388 1
1 359 . 14 1 1 A 34 34 ILE H H 34 8.133 7.671 0.462 1
1 360 . 14 1 1 A 34 34 ILE CA C 34 65.440 63.282 2.158 1
1 361 . 14 1 1 A 34 34 ILE HA H 34 3.880 3.821 0.059 1
1 362 . 14 1 1 A 34 34 ILE CB C 34 39.306 37.791 1.515 1
1 375 . 14 1 1 A 34 34 ILE C C 34 179.561 177.831 1.730 1
1 376 . 14 1 1 A 35 35 ASN N N 35 116.293 117.476 -1.183 1
1 377 . 14 1 1 A 35 35 ASN H H 35 7.748 7.887 -0.139 1
1 378 . 14 1 1 A 35 35 ASN CA C 35 55.406 53.207 2.199 1
1 379 . 14 1 1 A 35 35 ASN HA H 35 4.623 4.707 -0.084 1
1 380 . 14 1 1 A 35 35 ASN CB C 35 41.081 38.803 2.278 1
1 386 . 14 1 1 A 35 35 ASN C C 35 176.331 174.562 1.769 1
1 387 . 14 1 1 A 36 36 ARG N N 36 118.342 116.367 1.975 1
1 388 . 14 1 1 A 36 36 ARG H H 36 7.691 7.826 -0.135 1
1 389 . 14 1 1 A 36 36 ARG CA C 36 58.927 56.996 1.931 1
1 390 . 14 1 1 A 36 36 ARG HA H 36 3.921 4.090 -0.169 1
1 391 . 14 1 1 A 36 36 ARG CB C 36 28.757 27.004 1.753 1
1 400 . 14 1 1 A 36 36 ARG C C 36 177.156 174.281 2.875 1
1 401 . 14 1 1 A 37 37 LYS N N 37 118.394 114.504 3.890 1
1 402 . 14 1 1 A 37 37 LYS H H 37 7.574 7.351 0.223 1
1 403 . 14 1 1 A 37 37 LYS CA C 37 56.975 54.598 2.377 1
1 404 . 14 1 1 A 37 37 LYS HA H 37 4.761 4.959 -0.198 1
1 405 . 14 1 1 A 37 37 LYS CB C 37 38.331 35.411 2.920 1
1 417 . 14 1 1 A 37 37 LYS C C 37 177.346 175.244 2.102 1
1 418 . 14 1 1 A 38 38 THR N N 38 114.847 115.432 -0.585 1
1 419 . 14 1 1 A 38 38 THR H H 38 8.348 8.744 -0.396 1
1 420 . 14 1 1 A 38 38 THR CA C 38 63.013 61.104 1.909 1
1 421 . 14 1 1 A 38 38 THR HA H 38 5.369 5.533 -0.164 1
1 422 . 14 1 1 A 38 38 THR CB C 38 73.561 70.270 3.291 1
1 428 . 14 1 1 A 38 38 THR C C 38 176.244 174.234 2.010 1
1 429 . 14 1 1 A 39 39 GLN N N 39 118.695 122.868 -4.173 1
1 430 . 14 1 1 A 39 39 GLN H H 39 9.258 8.676 0.582 1
1 431 . 14 1 1 A 39 39 GLN CA C 39 57.417 54.497 2.920 1
1 432 . 14 1 1 A 39 39 GLN HA H 39 4.862 5.070 -0.208 1
1 433 . 14 1 1 A 39 39 GLN CB C 39 33.937 32.622 1.315 1
1 442 . 14 1 1 A 39 39 GLN C C 39 176.863 175.107 1.756 1
1 443 . 14 1 1 A 40 40 TYR N N 40 119.839 121.085 -1.246 1
1 444 . 14 1 1 A 40 40 TYR H H 40 8.969 9.088 -0.119 1
1 445 . 14 1 1 A 40 40 TYR CA C 40 62.528 60.018 2.510 1
1 446 . 14 1 1 A 40 40 TYR HA H 40 4.737 4.073 0.664 1
1 447 . 14 1 1 A 40 40 TYR CB C 40 41.283 38.573 2.710 1
1 458 . 14 1 1 A 40 40 TYR C C 40 178.553 176.131 2.422 1
1 459 . 14 1 1 A 41 41 GLU N N 41 119.641 119.016 0.625 1
1 460 . 14 1 1 A 41 41 GLU H H 41 8.136 8.148 -0.012 1
1 461 . 14 1 1 A 41 41 GLU CA C 41 58.710 56.762 1.948 1
1 462 . 14 1 1 A 41 41 GLU HA H 41 4.357 4.473 -0.116 1
1 463 . 14 1 1 A 41 41 GLU CB C 41 32.272 30.407 1.865 1
1 469 . 14 1 1 A 41 41 GLU C C 41 177.835 175.655 2.180 1
1 470 . 14 1 1 A 42 42 ASN N N 42 123.220 120.852 2.368 1
1 471 . 14 1 1 A 42 42 ASN H H 42 8.597 8.682 -0.085 1
1 472 . 14 1 1 A 42 42 ASN CA C 42 53.458 49.775 3.683 1
1 473 . 14 1 1 A 42 42 ASN HA H 42 4.351 5.361 -1.010 1
1 474 . 14 1 1 A 42 42 ASN CB C 42 40.674 39.750 0.924 1
1 480 . 14 1 1 A 42 42 ASN C C 42 177.142 174.430 2.712 1
1 481 . 14 1 1 A 43 43 PRO CA C 43 65.366 63.430 1.936 1
1 482 . 14 1 1 A 43 43 PRO HA H 43 3.966 4.409 -0.443 1
1 483 . 14 1 1 A 43 43 PRO CB C 43 33.339 31.833 1.506 1
1 488 . 14 1 1 A 43 43 PRO C C 43 178.905 176.340 2.565 1
1 489 . 14 1 1 A 44 44 SER N N 44 116.274 112.858 3.416 1
1 490 . 14 1 1 A 44 44 SER H H 44 8.245 7.301 0.944 1
1 491 . 14 1 1 A 44 44 SER CA C 44 61.072 59.210 1.862 1
1 492 . 14 1 1 A 44 44 SER HA H 44 4.268 4.247 0.021 1
1 493 . 14 1 1 A 44 44 SER CB C 44 65.891 63.265 2.626 1
1 496 . 14 1 1 A 44 44 SER C C 44 176.440 174.160 2.280 1
1 497 . 14 1 1 A 45 45 GLY N N 45 109.785 108.125 1.660 1
1 498 . 14 1 1 A 45 45 GLY H H 45 7.793 8.573 -0.780 1
1 499 . 14 1 1 A 45 45 GLY CA C 45 46.773 44.071 2.702 1
1 500 . 14 1 1 A 45 45 GLY HA2 H 45 4.062 4.091 -0.029 1
1 501 . 14 1 1 A 45 45 GLY HA3 H 45 4.016 4.093 -0.077 1
1 502 . 14 1 1 A 45 45 GLY C C 45 173.701 172.723 0.978 1
1 503 . 14 1 1 A 46 46 PRO CA C 46 65.308 62.453 2.855 1
1 504 . 14 1 1 A 46 46 PRO HA H 46 4.479 4.565 -0.086 1
1 505 . 14 1 1 A 46 46 PRO CB C 46 34.414 33.026 1.388 1
1 514 . 14 1 1 A 46 46 PRO C C 46 179.687 175.748 3.939 1
1 515 . 14 1 1 A 47 47 SER N N 47 116.800 116.587 0.213 1
1 516 . 14 1 1 A 47 47 SER H H 47 8.557 8.491 0.066 1
1 517 . 14 1 1 A 47 47 SER CA C 47 60.610 57.488 3.122 1
1 518 . 14 1 1 A 47 47 SER HA H 47 4.503 4.835 -0.332 1
1 519 . 14 1 1 A 47 47 SER CB C 47 66.122 64.408 1.714 1
1 522 . 14 1 1 A 47 47 SER C C 47 177.035 173.735 3.300 1
1 523 . 14 1 1 A 48 48 SER N N 48 118.250 120.115 -1.865 1
1 524 . 14 1 1 A 48 48 SER H H 48 8.402 8.697 -0.295 1
1 525 . 14 1 1 A 48 48 SER CA C 48 60.804 57.698 3.106 1
1 526 . 14 1 1 A 48 48 SER HA H 48 4.529 4.819 -0.290 1
1 527 . 14 1 1 A 48 48 SER CB C 48 66.152 64.114 2.038 1
1 530 . 14 1 1 A 48 48 SER C C 48 176.272 174.523 1.749 1
1 1 . 15 1 1 A 5 5 SER CA C 5 60.635 57.640 2.995 1
1 2 . 15 1 1 A 5 5 SER HA H 5 4.585 5.128 -0.543 1
1 3 . 15 1 1 A 5 5 SER CB C 5 66.298 65.719 0.579 1
1 6 . 15 1 1 A 5 5 SER C C 5 177.168 172.491 4.677 1
1 7 . 15 1 1 A 6 6 SER N N 6 118.338 118.520 -0.182 1
1 8 . 15 1 1 A 6 6 SER H H 6 8.569 8.756 -0.187 1
1 9 . 15 1 1 A 6 6 SER CA C 6 60.885 57.810 3.075 1
1 10 . 15 1 1 A 6 6 SER HA H 6 4.535 4.809 -0.274 1
1 11 . 15 1 1 A 6 6 SER CB C 6 66.148 65.143 1.005 1
1 14 . 15 1 1 A 6 6 SER C C 6 177.326 174.972 2.354 1
1 15 . 15 1 1 A 7 7 GLY N N 7 111.002 110.140 0.862 1
1 16 . 15 1 1 A 7 7 GLY H H 7 8.476 8.610 -0.134 1
1 17 . 15 1 1 A 7 7 GLY CA C 7 47.617 46.127 1.490 1
1 18 . 15 1 1 A 7 7 GLY HA2 H 7 4.019 3.946 0.073 1
1 19 . 15 1 1 A 7 7 GLY HA3 H 7 4.019 3.961 0.058 1
1 20 . 15 1 1 A 7 7 GLY C C 7 176.492 175.852 0.640 1
1 21 . 15 1 1 A 8 8 LEU N N 8 121.799 123.443 -1.644 1
1 22 . 15 1 1 A 8 8 LEU H H 8 8.193 8.533 -0.340 1
1 23 . 15 1 1 A 8 8 LEU CA C 8 57.462 58.100 -0.638 1
1 24 . 15 1 1 A 8 8 LEU HA H 8 4.394 4.090 0.304 1
1 25 . 15 1 1 A 8 8 LEU CB C 8 44.690 41.883 2.807 1
1 37 . 15 1 1 A 8 8 LEU C C 8 179.755 176.547 3.208 1
1 38 . 15 1 1 A 9 9 ASP N N 9 121.308 118.462 2.846 1
1 39 . 15 1 1 A 9 9 ASP H H 9 8.466 8.040 0.426 1
1 40 . 15 1 1 A 9 9 ASP CA C 9 56.935 52.931 4.004 1
1 41 . 15 1 1 A 9 9 ASP HA H 9 4.606 4.969 -0.363 1
1 42 . 15 1 1 A 9 9 ASP CB C 9 43.197 43.841 -0.644 1
1 45 . 15 1 1 A 9 9 ASP C C 9 178.791 175.185 3.606 1
1 46 . 15 1 1 A 10 10 SER N N 10 115.813 119.299 -3.486 1
1 47 . 15 1 1 A 10 10 SER H H 10 8.187 8.765 -0.578 1
1 48 . 15 1 1 A 10 10 SER CA C 10 60.991 58.205 2.786 1
1 49 . 15 1 1 A 10 10 SER HA H 10 4.407 4.773 -0.366 1
1 50 . 15 1 1 A 10 10 SER CB C 10 66.161 63.699 2.462 1
1 53 . 15 1 1 A 10 10 SER C C 10 176.964 174.880 2.084 1
1 54 . 15 1 1 A 11 11 GLU N N 11 122.677 118.106 4.571 1
1 55 . 15 1 1 A 11 11 GLU H H 11 8.443 8.437 0.006 1
1 56 . 15 1 1 A 11 11 GLU CA C 11 58.754 55.929 2.825 1
1 57 . 15 1 1 A 11 11 GLU HA H 11 4.316 4.349 -0.033 1
1 58 . 15 1 1 A 11 11 GLU CB C 11 32.345 29.411 2.934 1
1 64 . 15 1 1 A 11 11 GLU C C 11 178.630 175.800 2.830 1
1 65 . 15 1 1 A 12 12 LEU N N 12 122.751 122.297 0.454 1
1 66 . 15 1 1 A 12 12 LEU H H 12 8.101 7.522 0.579 1
1 67 . 15 1 1 A 12 12 LEU CA C 12 57.200 53.164 4.036 1
1 68 . 15 1 1 A 12 12 LEU HA H 12 4.330 4.761 -0.431 1
1 69 . 15 1 1 A 12 12 LEU CB C 12 44.701 44.259 0.442 1
1 82 . 15 1 1 A 12 12 LEU C C 12 179.430 176.369 3.061 1
1 83 . 15 1 1 A 13 13 GLU N N 13 122.737 121.899 0.838 1
1 84 . 15 1 1 A 13 13 GLU H H 13 8.361 8.466 -0.105 1
1 85 . 15 1 1 A 13 13 GLU CA C 13 58.512 55.860 2.652 1
1 86 . 15 1 1 A 13 13 GLU HA H 13 4.272 4.510 -0.238 1
1 87 . 15 1 1 A 13 13 GLU CB C 13 32.697 31.155 1.542 1
1 93 . 15 1 1 A 13 13 GLU C C 13 178.439 176.054 2.385 1
1 94 . 15 1 1 A 14 14 LEU N N 14 124.926 122.328 2.598 1
1 95 . 15 1 1 A 14 14 LEU H H 14 8.476 8.388 0.088 1
1 96 . 15 1 1 A 14 14 LEU CA C 14 54.936 52.109 2.827 1
1 97 . 15 1 1 A 14 14 LEU HA H 14 4.513 4.579 -0.066 1
1 98 . 15 1 1 A 14 14 LEU CB C 14 44.202 42.092 2.110 1
1 111 . 15 1 1 A 14 14 LEU C C 14 176.898 174.713 2.185 1
1 112 . 15 1 1 A 15 15 PRO CA C 15 64.197 62.217 1.980 1
1 113 . 15 1 1 A 15 15 PRO HA H 15 4.505 4.585 -0.080 1
1 114 . 15 1 1 A 15 15 PRO CB C 15 33.625 32.833 0.792 1
1 123 . 15 1 1 A 15 15 PRO C C 15 178.217 176.373 1.844 1
1 124 . 15 1 1 A 16 16 ALA N N 16 123.785 124.535 -0.750 1
1 125 . 15 1 1 A 16 16 ALA H H 16 8.483 8.342 0.141 1
1 126 . 15 1 1 A 16 16 ALA CA C 16 55.949 53.762 2.187 1
1 127 . 15 1 1 A 16 16 ALA HA H 16 4.250 3.983 0.267 1
1 128 . 15 1 1 A 16 16 ALA CB C 16 20.671 18.773 1.898 1
1 132 . 15 1 1 A 16 16 ALA C C 16 180.993 178.301 2.692 1
1 133 . 15 1 1 A 17 17 GLY N N 17 110.361 109.928 0.433 1
1 134 . 15 1 1 A 17 17 GLY H H 17 8.826 8.970 -0.144 1
1 135 . 15 1 1 A 17 17 GLY CA C 17 47.644 45.327 2.317 1
1 136 . 15 1 1 A 17 17 GLY HA2 H 17 3.781 4.007 -0.226 1
1 137 . 15 1 1 A 17 17 GLY HA3 H 17 4.248 4.027 0.221 1
1 138 . 15 1 1 A 17 17 GLY C C 17 175.678 174.435 1.243 1
1 139 . 15 1 1 A 18 18 TRP N N 18 118.683 120.735 -2.052 1
1 140 . 15 1 1 A 18 18 TRP H H 18 7.771 7.805 -0.034 1
1 141 . 15 1 1 A 18 18 TRP CA C 18 59.186 58.072 1.114 1
1 142 . 15 1 1 A 18 18 TRP HA H 18 5.710 4.693 1.017 1
1 143 . 15 1 1 A 18 18 TRP CB C 18 34.117 30.275 3.842 1
1 158 . 15 1 1 A 18 18 TRP C C 18 179.094 175.773 3.321 1
1 159 . 15 1 1 A 19 19 GLU N N 19 122.400 123.556 -1.156 1
1 160 . 15 1 1 A 19 19 GLU H H 19 9.431 8.927 0.504 1
1 161 . 15 1 1 A 19 19 GLU CA C 19 57.452 55.212 2.240 1
1 162 . 15 1 1 A 19 19 GLU HA H 19 4.668 4.930 -0.262 1
1 163 . 15 1 1 A 19 19 GLU CB C 19 36.636 33.249 3.387 1
1 169 . 15 1 1 A 19 19 GLU C C 19 176.242 175.269 0.973 1
1 170 . 15 1 1 A 20 20 LYS N N 20 126.826 124.530 2.296 1
1 171 . 15 1 1 A 20 20 LYS H H 20 8.839 8.515 0.324 1
1 172 . 15 1 1 A 20 20 LYS CA C 20 57.834 56.375 1.459 1
1 173 . 15 1 1 A 20 20 LYS HA H 20 4.396 4.379 0.017 1
1 174 . 15 1 1 A 20 20 LYS CB C 20 36.189 32.835 3.354 1
1 186 . 15 1 1 A 20 20 LYS C C 20 176.986 175.884 1.102 1
1 187 . 15 1 1 A 21 21 ILE N N 21 130.514 122.739 7.775 1
1 188 . 15 1 1 A 21 21 ILE H H 21 8.899 8.269 0.630 1
1 189 . 15 1 1 A 21 21 ILE CA C 21 61.347 59.591 1.756 1
1 190 . 15 1 1 A 21 21 ILE HA H 21 4.062 4.710 -0.648 1
1 191 . 15 1 1 A 21 21 ILE CB C 21 40.504 41.441 -0.937 1
1 204 . 15 1 1 A 21 21 ILE C C 21 176.050 174.570 1.480 1
1 205 . 15 1 1 A 22 22 GLU N N 22 124.786 126.268 -1.482 1
1 206 . 15 1 1 A 22 22 GLU H H 22 8.328 8.657 -0.329 1
1 207 . 15 1 1 A 22 22 GLU CA C 22 56.983 55.123 1.860 1
1 208 . 15 1 1 A 22 22 GLU HA H 22 4.439 4.984 -0.545 1
1 209 . 15 1 1 A 22 22 GLU CB C 22 32.206 31.066 1.140 1
1 215 . 15 1 1 A 22 22 GLU C C 22 176.960 174.986 1.974 1
1 216 . 15 1 1 A 23 23 ASP N N 23 128.273 124.172 4.101 1
1 217 . 15 1 1 A 23 23 ASP H H 23 8.412 8.717 -0.305 1
1 218 . 15 1 1 A 23 23 ASP CA C 23 53.796 50.798 2.998 1
1 219 . 15 1 1 A 23 23 ASP HA H 23 5.093 5.155 -0.062 1
1 220 . 15 1 1 A 23 23 ASP CB C 23 47.804 44.267 3.537 1
1 223 . 15 1 1 A 23 23 ASP C C 23 177.989 175.663 2.326 1
1 224 . 15 1 1 A 24 24 PRO CA C 24 66.947 64.188 2.759 1
1 225 . 15 1 1 A 24 24 PRO HA H 24 4.377 4.523 -0.146 1
1 226 . 15 1 1 A 24 24 PRO CB C 24 34.504 31.801 2.703 1
1 235 . 15 1 1 A 24 24 PRO C C 24 178.884 177.089 1.795 1
1 236 . 15 1 1 A 25 25 VAL N N 25 118.954 115.541 3.413 1
1 237 . 15 1 1 A 25 25 VAL H H 25 8.498 8.196 0.302 1
1 238 . 15 1 1 A 25 25 VAL CA C 25 66.276 63.816 2.460 1
1 239 . 15 1 1 A 25 25 VAL HA H 25 3.885 4.067 -0.182 1
1 240 . 15 1 1 A 25 25 VAL CB C 25 35.312 33.420 1.892 1
1 250 . 15 1 1 A 25 25 VAL C C 25 179.867 177.062 2.805 1
1 251 . 15 1 1 A 26 26 TYR N N 26 118.189 116.546 1.643 1
1 252 . 15 1 1 A 26 26 TYR H H 26 8.623 7.922 0.701 1
1 253 . 15 1 1 A 26 26 TYR CA C 26 61.321 58.430 2.891 1
1 254 . 15 1 1 A 26 26 TYR HA H 26 4.495 4.638 -0.143 1
1 255 . 15 1 1 A 26 26 TYR CB C 26 41.356 39.243 2.113 1
1 266 . 15 1 1 A 26 26 TYR C C 26 178.462 176.642 1.820 1
1 267 . 15 1 1 A 27 27 GLY N N 27 110.334 106.782 3.552 1
1 268 . 15 1 1 A 27 27 GLY H H 27 8.220 8.511 -0.291 1
1 269 . 15 1 1 A 27 27 GLY CA C 27 47.221 45.366 1.855 1
1 270 . 15 1 1 A 27 27 GLY HA2 H 27 3.910 4.179 -0.269 1
1 271 . 15 1 1 A 27 27 GLY HA3 H 27 4.389 4.216 0.173 1
1 272 . 15 1 1 A 27 27 GLY C C 27 175.432 173.660 1.772 1
1 273 . 15 1 1 A 28 28 ILE N N 28 121.398 122.207 -0.809 1
1 274 . 15 1 1 A 28 28 ILE H H 28 8.281 8.254 0.027 1
1 275 . 15 1 1 A 28 28 ILE CA C 28 63.218 60.731 2.487 1
1 276 . 15 1 1 A 28 28 ILE HA H 28 4.885 4.987 -0.102 1
1 277 . 15 1 1 A 28 28 ILE CB C 28 40.979 38.681 2.298 1
1 290 . 15 1 1 A 28 28 ILE C C 28 179.002 174.437 4.565 1
1 291 . 15 1 1 A 29 29 TYR N N 29 124.797 124.177 0.620 1
1 292 . 15 1 1 A 29 29 TYR H H 29 8.812 8.522 0.290 1
1 293 . 15 1 1 A 29 29 TYR CA C 29 58.567 54.992 3.575 1
1 294 . 15 1 1 A 29 29 TYR HA H 29 4.691 5.094 -0.403 1
1 295 . 15 1 1 A 29 29 TYR CB C 29 41.239 41.754 -0.515 1
1 306 . 15 1 1 A 29 29 TYR C C 29 173.343 172.852 0.491 1
1 307 . 15 1 1 A 30 30 TYR N N 30 117.085 122.658 -5.573 1
1 308 . 15 1 1 A 30 30 TYR H H 30 8.925 8.376 0.549 1
1 309 . 15 1 1 A 30 30 TYR CA C 30 59.179 57.774 1.405 1
1 310 . 15 1 1 A 30 30 TYR HA H 30 5.431 4.982 0.449 1
1 311 . 15 1 1 A 30 30 TYR CB C 30 43.770 39.877 3.893 1
1 322 . 15 1 1 A 30 30 TYR C C 30 177.375 175.200 2.175 1
1 323 . 15 1 1 A 31 31 VAL N N 31 121.450 123.840 -2.390 1
1 324 . 15 1 1 A 31 31 VAL H H 31 9.204 9.553 -0.349 1
1 325 . 15 1 1 A 31 31 VAL CA C 31 62.688 61.356 1.332 1
1 326 . 15 1 1 A 31 31 VAL HA H 31 4.633 4.527 0.106 1
1 327 . 15 1 1 A 31 31 VAL CB C 31 37.509 32.972 4.537 1
1 337 . 15 1 1 A 31 31 VAL C C 31 175.631 173.683 1.948 1
1 338 . 15 1 1 A 32 32 ASP N N 32 126.397 128.144 -1.747 1
1 339 . 15 1 1 A 32 32 ASP H H 32 8.361 8.246 0.115 1
1 340 . 15 1 1 A 32 32 ASP CA C 32 53.716 51.872 1.844 1
1 341 . 15 1 1 A 32 32 ASP HA H 32 3.844 4.629 -0.785 1
1 342 . 15 1 1 A 32 32 ASP CB C 32 41.631 39.828 1.803 1
1 345 . 15 1 1 A 32 32 ASP C C 32 179.908 176.464 3.444 1
1 346 . 15 1 1 A 33 33 HIS N N 33 122.272 122.652 -0.380 1
1 347 . 15 1 1 A 33 33 HIS H H 33 8.636 8.238 0.398 1
1 348 . 15 1 1 A 33 33 HIS CA C 33 60.587 57.566 3.021 1
1 349 . 15 1 1 A 33 33 HIS HA H 33 4.269 4.267 0.002 1
1 350 . 15 1 1 A 33 33 HIS CB C 33 33.066 28.927 4.139 1
1 357 . 15 1 1 A 33 33 HIS C C 33 178.929 177.075 1.854 1
1 358 . 15 1 1 A 34 34 ILE N N 34 120.451 120.603 -0.152 1
1 359 . 15 1 1 A 34 34 ILE H H 34 8.133 7.692 0.441 1
1 360 . 15 1 1 A 34 34 ILE CA C 34 65.440 64.049 1.391 1
1 361 . 15 1 1 A 34 34 ILE HA H 34 3.880 3.796 0.084 1
1 362 . 15 1 1 A 34 34 ILE CB C 34 39.306 37.765 1.541 1
1 375 . 15 1 1 A 34 34 ILE C C 34 179.561 177.781 1.780 1
1 376 . 15 1 1 A 35 35 ASN N N 35 116.293 117.040 -0.747 1
1 377 . 15 1 1 A 35 35 ASN H H 35 7.748 7.858 -0.110 1
1 378 . 15 1 1 A 35 35 ASN CA C 35 55.406 52.953 2.453 1
1 379 . 15 1 1 A 35 35 ASN HA H 35 4.623 4.729 -0.106 1
1 380 . 15 1 1 A 35 35 ASN CB C 35 41.081 38.842 2.239 1
1 386 . 15 1 1 A 35 35 ASN C C 35 176.331 174.423 1.908 1
1 387 . 15 1 1 A 36 36 ARG N N 36 118.342 116.321 2.021 1
1 388 . 15 1 1 A 36 36 ARG H H 36 7.691 8.025 -0.334 1
1 389 . 15 1 1 A 36 36 ARG CA C 36 58.927 57.005 1.922 1
1 390 . 15 1 1 A 36 36 ARG HA H 36 3.921 4.123 -0.202 1
1 391 . 15 1 1 A 36 36 ARG CB C 36 28.757 26.953 1.804 1
1 400 . 15 1 1 A 36 36 ARG C C 36 177.156 174.338 2.818 1
1 401 . 15 1 1 A 37 37 LYS N N 37 118.394 114.686 3.708 1
1 402 . 15 1 1 A 37 37 LYS H H 37 7.574 7.408 0.166 1
1 403 . 15 1 1 A 37 37 LYS CA C 37 56.975 54.478 2.497 1
1 404 . 15 1 1 A 37 37 LYS HA H 37 4.761 5.004 -0.243 1
1 405 . 15 1 1 A 37 37 LYS CB C 37 38.331 35.617 2.714 1
1 417 . 15 1 1 A 37 37 LYS C C 37 177.346 175.263 2.083 1
1 418 . 15 1 1 A 38 38 THR N N 38 114.847 114.241 0.606 1
1 419 . 15 1 1 A 38 38 THR H H 38 8.348 8.870 -0.522 1
1 420 . 15 1 1 A 38 38 THR CA C 38 63.013 60.709 2.304 1
1 421 . 15 1 1 A 38 38 THR HA H 38 5.369 5.838 -0.469 1
1 422 . 15 1 1 A 38 38 THR CB C 38 73.561 70.651 2.910 1
1 428 . 15 1 1 A 38 38 THR C C 38 176.244 174.142 2.102 1
1 429 . 15 1 1 A 39 39 GLN N N 39 118.695 123.057 -4.362 1
1 430 . 15 1 1 A 39 39 GLN H H 39 9.258 8.649 0.609 1
1 431 . 15 1 1 A 39 39 GLN CA C 39 57.417 54.509 2.908 1
1 432 . 15 1 1 A 39 39 GLN HA H 39 4.862 5.035 -0.173 1
1 433 . 15 1 1 A 39 39 GLN CB C 39 33.937 32.670 1.267 1
1 442 . 15 1 1 A 39 39 GLN C C 39 176.863 175.129 1.734 1
1 443 . 15 1 1 A 40 40 TYR N N 40 119.839 121.433 -1.594 1
1 444 . 15 1 1 A 40 40 TYR H H 40 8.969 9.099 -0.130 1
1 445 . 15 1 1 A 40 40 TYR CA C 40 62.528 59.905 2.623 1
1 446 . 15 1 1 A 40 40 TYR HA H 40 4.737 4.162 0.575 1
1 447 . 15 1 1 A 40 40 TYR CB C 40 41.283 38.596 2.687 1
1 458 . 15 1 1 A 40 40 TYR C C 40 178.553 175.981 2.572 1
1 459 . 15 1 1 A 41 41 GLU N N 41 119.641 119.053 0.588 1
1 460 . 15 1 1 A 41 41 GLU H H 41 8.136 8.129 0.007 1
1 461 . 15 1 1 A 41 41 GLU CA C 41 58.710 56.617 2.093 1
1 462 . 15 1 1 A 41 41 GLU HA H 41 4.357 4.498 -0.141 1
1 463 . 15 1 1 A 41 41 GLU CB C 41 32.272 30.756 1.516 1
1 469 . 15 1 1 A 41 41 GLU C C 41 177.835 175.710 2.125 1
1 470 . 15 1 1 A 42 42 ASN N N 42 123.220 120.681 2.539 1
1 471 . 15 1 1 A 42 42 ASN H H 42 8.597 8.678 -0.081 1
1 472 . 15 1 1 A 42 42 ASN CA C 42 53.458 49.805 3.653 1
1 473 . 15 1 1 A 42 42 ASN HA H 42 4.351 5.439 -1.088 1
1 474 . 15 1 1 A 42 42 ASN CB C 42 40.674 39.815 0.859 1
1 480 . 15 1 1 A 42 42 ASN C C 42 177.142 174.396 2.746 1
1 481 . 15 1 1 A 43 43 PRO CA C 43 65.366 63.429 1.937 1
1 482 . 15 1 1 A 43 43 PRO HA H 43 3.966 4.454 -0.488 1
1 483 . 15 1 1 A 43 43 PRO CB C 43 33.339 31.861 1.478 1
1 488 . 15 1 1 A 43 43 PRO C C 43 178.905 176.214 2.691 1
1 489 . 15 1 1 A 44 44 SER N N 44 116.274 116.131 0.143 1
1 490 . 15 1 1 A 44 44 SER H H 44 8.245 7.441 0.804 1
1 491 . 15 1 1 A 44 44 SER CA C 44 61.072 59.397 1.675 1
1 492 . 15 1 1 A 44 44 SER HA H 44 4.268 4.091 0.177 1
1 493 . 15 1 1 A 44 44 SER CB C 44 65.891 63.465 2.426 1
1 496 . 15 1 1 A 44 44 SER C C 44 176.440 174.022 2.418 1
1 497 . 15 1 1 A 45 45 GLY N N 45 109.785 112.392 -2.607 1
1 498 . 15 1 1 A 45 45 GLY H H 45 7.793 8.606 -0.813 1
1 499 . 15 1 1 A 45 45 GLY CA C 45 46.773 44.353 2.420 1
1 500 . 15 1 1 A 45 45 GLY HA2 H 45 4.062 4.131 -0.069 1
1 501 . 15 1 1 A 45 45 GLY HA3 H 45 4.016 4.133 -0.117 1
1 502 . 15 1 1 A 45 45 GLY C C 45 173.701 172.663 1.038 1
1 503 . 15 1 1 A 46 46 PRO CA C 46 65.308 62.625 2.683 1
1 504 . 15 1 1 A 46 46 PRO HA H 46 4.479 4.679 -0.200 1
1 505 . 15 1 1 A 46 46 PRO CB C 46 34.414 31.650 2.764 1
1 514 . 15 1 1 A 46 46 PRO C C 46 179.687 176.831 2.856 1
1 515 . 15 1 1 A 47 47 SER N N 47 116.800 119.422 -2.622 1
1 516 . 15 1 1 A 47 47 SER H H 47 8.557 8.792 -0.235 1
1 517 . 15 1 1 A 47 47 SER CA C 47 60.610 61.569 -0.959 1
1 518 . 15 1 1 A 47 47 SER HA H 47 4.503 4.274 0.229 1
1 519 . 15 1 1 A 47 47 SER CB C 47 66.122 63.652 2.470 1
1 522 . 15 1 1 A 47 47 SER C C 47 177.035 174.474 2.561 1
1 523 . 15 1 1 A 48 48 SER N N 48 118.250 113.253 4.997 1
1 524 . 15 1 1 A 48 48 SER H H 48 8.402 8.022 0.380 1
1 525 . 15 1 1 A 48 48 SER CA C 48 60.804 59.253 1.551 1
1 526 . 15 1 1 A 48 48 SER HA H 48 4.529 4.230 0.299 1
1 527 . 15 1 1 A 48 48 SER CB C 48 66.152 61.244 4.908 1
1 530 . 15 1 1 A 48 48 SER C C 48 176.272 174.186 2.086 1
1 1 . 16 1 1 A 5 5 SER CA C 5 60.635 58.679 1.956 1
1 2 . 16 1 1 A 5 5 SER HA H 5 4.585 4.484 0.101 1
1 3 . 16 1 1 A 5 5 SER CB C 5 66.298 63.724 2.574 1
1 6 . 16 1 1 A 5 5 SER C C 5 177.168 173.618 3.550 1
1 7 . 16 1 1 A 6 6 SER N N 6 118.338 121.544 -3.206 1
1 8 . 16 1 1 A 6 6 SER H H 6 8.569 8.708 -0.139 1
1 9 . 16 1 1 A 6 6 SER CA C 6 60.885 56.761 4.124 1
1 10 . 16 1 1 A 6 6 SER HA H 6 4.535 5.007 -0.472 1
1 11 . 16 1 1 A 6 6 SER CB C 6 66.148 65.377 0.771 1
1 14 . 16 1 1 A 6 6 SER C C 6 177.326 172.966 4.360 1
1 15 . 16 1 1 A 7 7 GLY N N 7 111.002 111.620 -0.618 1
1 16 . 16 1 1 A 7 7 GLY H H 7 8.476 8.446 0.030 1
1 17 . 16 1 1 A 7 7 GLY CA C 7 47.617 44.495 3.122 1
1 18 . 16 1 1 A 7 7 GLY HA2 H 7 4.019 4.130 -0.111 1
1 19 . 16 1 1 A 7 7 GLY HA3 H 7 4.019 4.131 -0.112 1
1 20 . 16 1 1 A 7 7 GLY C C 7 176.492 172.518 3.974 1
1 21 . 16 1 1 A 8 8 LEU N N 8 121.799 122.207 -0.408 1
1 22 . 16 1 1 A 8 8 LEU H H 8 8.193 8.468 -0.275 1
1 23 . 16 1 1 A 8 8 LEU CA C 8 57.462 54.356 3.106 1
1 24 . 16 1 1 A 8 8 LEU HA H 8 4.394 4.475 -0.081 1
1 25 . 16 1 1 A 8 8 LEU CB C 8 44.690 42.417 2.273 1
1 37 . 16 1 1 A 8 8 LEU C C 8 179.755 176.640 3.115 1
1 38 . 16 1 1 A 9 9 ASP N N 9 121.308 122.768 -1.460 1
1 39 . 16 1 1 A 9 9 ASP H H 9 8.466 8.862 -0.396 1
1 40 . 16 1 1 A 9 9 ASP CA C 9 56.935 54.151 2.784 1
1 41 . 16 1 1 A 9 9 ASP HA H 9 4.606 4.947 -0.341 1
1 42 . 16 1 1 A 9 9 ASP CB C 9 43.197 41.620 1.577 1
1 45 . 16 1 1 A 9 9 ASP C C 9 178.791 177.384 1.407 1
1 46 . 16 1 1 A 10 10 SER N N 10 115.813 119.092 -3.279 1
1 47 . 16 1 1 A 10 10 SER H H 10 8.187 9.053 -0.866 1
1 48 . 16 1 1 A 10 10 SER CA C 10 60.991 59.803 1.188 1
1 49 . 16 1 1 A 10 10 SER HA H 10 4.407 4.408 -0.001 1
1 50 . 16 1 1 A 10 10 SER CB C 10 66.161 62.928 3.233 1
1 53 . 16 1 1 A 10 10 SER C C 10 176.964 174.759 2.205 1
1 54 . 16 1 1 A 11 11 GLU N N 11 122.677 118.524 4.153 1
1 55 . 16 1 1 A 11 11 GLU H H 11 8.443 8.438 0.005 1
1 56 . 16 1 1 A 11 11 GLU CA C 11 58.754 55.744 3.010 1
1 57 . 16 1 1 A 11 11 GLU HA H 11 4.316 4.423 -0.107 1
1 58 . 16 1 1 A 11 11 GLU CB C 11 32.345 29.691 2.654 1
1 64 . 16 1 1 A 11 11 GLU C C 11 178.630 175.921 2.709 1
1 65 . 16 1 1 A 12 12 LEU N N 12 122.751 122.390 0.361 1
1 66 . 16 1 1 A 12 12 LEU H H 12 8.101 7.544 0.557 1
1 67 . 16 1 1 A 12 12 LEU CA C 12 57.200 53.066 4.134 1
1 68 . 16 1 1 A 12 12 LEU HA H 12 4.330 4.769 -0.439 1
1 69 . 16 1 1 A 12 12 LEU CB C 12 44.701 44.967 -0.266 1
1 82 . 16 1 1 A 12 12 LEU C C 12 179.430 175.752 3.678 1
1 83 . 16 1 1 A 13 13 GLU N N 13 122.737 120.704 2.033 1
1 84 . 16 1 1 A 13 13 GLU H H 13 8.361 8.631 -0.270 1
1 85 . 16 1 1 A 13 13 GLU CA C 13 58.512 54.246 4.266 1
1 86 . 16 1 1 A 13 13 GLU HA H 13 4.272 4.636 -0.364 1
1 87 . 16 1 1 A 13 13 GLU CB C 13 32.697 32.130 0.567 1
1 93 . 16 1 1 A 13 13 GLU C C 13 178.439 176.203 2.236 1
1 94 . 16 1 1 A 14 14 LEU N N 14 124.926 122.078 2.848 1
1 95 . 16 1 1 A 14 14 LEU H H 14 8.476 8.494 -0.018 1
1 96 . 16 1 1 A 14 14 LEU CA C 14 54.936 52.725 2.211 1
1 97 . 16 1 1 A 14 14 LEU HA H 14 4.513 4.489 0.024 1
1 98 . 16 1 1 A 14 14 LEU CB C 14 44.202 41.028 3.174 1
1 111 . 16 1 1 A 14 14 LEU C C 14 176.898 174.699 2.199 1
1 112 . 16 1 1 A 15 15 PRO CA C 15 64.197 62.200 1.997 1
1 113 . 16 1 1 A 15 15 PRO HA H 15 4.505 4.584 -0.079 1
1 114 . 16 1 1 A 15 15 PRO CB C 15 33.625 32.852 0.773 1
1 123 . 16 1 1 A 15 15 PRO C C 15 178.217 176.301 1.916 1
1 124 . 16 1 1 A 16 16 ALA N N 16 123.785 124.353 -0.568 1
1 125 . 16 1 1 A 16 16 ALA H H 16 8.483 8.336 0.147 1
1 126 . 16 1 1 A 16 16 ALA CA C 16 55.949 53.495 2.454 1
1 127 . 16 1 1 A 16 16 ALA HA H 16 4.250 4.000 0.250 1
1 128 . 16 1 1 A 16 16 ALA CB C 16 20.671 18.817 1.854 1
1 132 . 16 1 1 A 16 16 ALA C C 16 180.993 178.305 2.688 1
1 133 . 16 1 1 A 17 17 GLY N N 17 110.361 109.982 0.379 1
1 134 . 16 1 1 A 17 17 GLY H H 17 8.826 8.991 -0.165 1
1 135 . 16 1 1 A 17 17 GLY CA C 17 47.644 45.166 2.478 1
1 136 . 16 1 1 A 17 17 GLY HA2 H 17 3.781 4.004 -0.223 1
1 137 . 16 1 1 A 17 17 GLY HA3 H 17 4.248 4.031 0.217 1
1 138 . 16 1 1 A 17 17 GLY C C 17 175.678 174.437 1.241 1
1 139 . 16 1 1 A 18 18 TRP N N 18 118.683 120.725 -2.042 1
1 140 . 16 1 1 A 18 18 TRP H H 18 7.771 7.787 -0.016 1
1 141 . 16 1 1 A 18 18 TRP CA C 18 59.186 57.978 1.208 1
1 142 . 16 1 1 A 18 18 TRP HA H 18 5.710 4.698 1.012 1
1 143 . 16 1 1 A 18 18 TRP CB C 18 34.117 30.300 3.817 1
1 158 . 16 1 1 A 18 18 TRP C C 18 179.094 175.704 3.390 1
1 159 . 16 1 1 A 19 19 GLU N N 19 122.400 123.386 -0.986 1
1 160 . 16 1 1 A 19 19 GLU H H 19 9.431 9.162 0.269 1
1 161 . 16 1 1 A 19 19 GLU CA C 19 57.452 55.144 2.308 1
1 162 . 16 1 1 A 19 19 GLU HA H 19 4.668 5.042 -0.374 1
1 163 . 16 1 1 A 19 19 GLU CB C 19 36.636 33.210 3.426 1
1 169 . 16 1 1 A 19 19 GLU C C 19 176.242 175.363 0.879 1
1 170 . 16 1 1 A 20 20 LYS N N 20 126.826 124.773 2.053 1
1 171 . 16 1 1 A 20 20 LYS H H 20 8.839 8.537 0.302 1
1 172 . 16 1 1 A 20 20 LYS CA C 20 57.834 56.234 1.600 1
1 173 . 16 1 1 A 20 20 LYS HA H 20 4.396 4.411 -0.015 1
1 174 . 16 1 1 A 20 20 LYS CB C 20 36.189 33.015 3.174 1
1 186 . 16 1 1 A 20 20 LYS C C 20 176.986 175.854 1.132 1
1 187 . 16 1 1 A 21 21 ILE N N 21 130.514 122.794 7.720 1
1 188 . 16 1 1 A 21 21 ILE H H 21 8.899 8.189 0.710 1
1 189 . 16 1 1 A 21 21 ILE CA C 21 61.347 59.465 1.882 1
1 190 . 16 1 1 A 21 21 ILE HA H 21 4.062 4.704 -0.642 1
1 191 . 16 1 1 A 21 21 ILE CB C 21 40.504 41.803 -1.299 1
1 204 . 16 1 1 A 21 21 ILE C C 21 176.050 174.533 1.517 1
1 205 . 16 1 1 A 22 22 GLU N N 22 124.786 126.120 -1.334 1
1 206 . 16 1 1 A 22 22 GLU H H 22 8.328 8.647 -0.319 1
1 207 . 16 1 1 A 22 22 GLU CA C 22 56.983 55.108 1.875 1
1 208 . 16 1 1 A 22 22 GLU HA H 22 4.439 4.926 -0.487 1
1 209 . 16 1 1 A 22 22 GLU CB C 22 32.206 30.977 1.229 1
1 215 . 16 1 1 A 22 22 GLU C C 22 176.960 174.880 2.080 1
1 216 . 16 1 1 A 23 23 ASP N N 23 128.273 124.511 3.762 1
1 217 . 16 1 1 A 23 23 ASP H H 23 8.412 8.676 -0.264 1
1 218 . 16 1 1 A 23 23 ASP CA C 23 53.796 50.776 3.020 1
1 219 . 16 1 1 A 23 23 ASP HA H 23 5.093 5.189 -0.096 1
1 220 . 16 1 1 A 23 23 ASP CB C 23 47.804 44.436 3.368 1
1 223 . 16 1 1 A 23 23 ASP C C 23 177.989 175.689 2.300 1
1 224 . 16 1 1 A 24 24 PRO CA C 24 66.947 64.135 2.812 1
1 225 . 16 1 1 A 24 24 PRO HA H 24 4.377 4.526 -0.149 1
1 226 . 16 1 1 A 24 24 PRO CB C 24 34.504 31.788 2.716 1
1 235 . 16 1 1 A 24 24 PRO C C 24 178.884 177.085 1.799 1
1 236 . 16 1 1 A 25 25 VAL N N 25 118.954 115.504 3.450 1
1 237 . 16 1 1 A 25 25 VAL H H 25 8.498 8.551 -0.053 1
1 238 . 16 1 1 A 25 25 VAL CA C 25 66.276 63.787 2.489 1
1 239 . 16 1 1 A 25 25 VAL HA H 25 3.885 4.102 -0.217 1
1 240 . 16 1 1 A 25 25 VAL CB C 25 35.312 33.557 1.755 1
1 250 . 16 1 1 A 25 25 VAL C C 25 179.867 177.066 2.801 1
1 251 . 16 1 1 A 26 26 TYR N N 26 118.189 116.734 1.455 1
1 252 . 16 1 1 A 26 26 TYR H H 26 8.623 7.954 0.669 1
1 253 . 16 1 1 A 26 26 TYR CA C 26 61.321 58.434 2.887 1
1 254 . 16 1 1 A 26 26 TYR HA H 26 4.495 4.651 -0.156 1
1 255 . 16 1 1 A 26 26 TYR CB C 26 41.356 39.149 2.207 1
1 266 . 16 1 1 A 26 26 TYR C C 26 178.462 176.644 1.818 1
1 267 . 16 1 1 A 27 27 GLY N N 27 110.334 106.656 3.678 1
1 268 . 16 1 1 A 27 27 GLY H H 27 8.220 8.523 -0.303 1
1 269 . 16 1 1 A 27 27 GLY CA C 27 47.221 45.384 1.837 1
1 270 . 16 1 1 A 27 27 GLY HA2 H 27 3.910 4.183 -0.273 1
1 271 . 16 1 1 A 27 27 GLY HA3 H 27 4.389 4.225 0.164 1
1 272 . 16 1 1 A 27 27 GLY C C 27 175.432 173.644 1.788 1
1 273 . 16 1 1 A 28 28 ILE N N 28 121.398 122.169 -0.771 1
1 274 . 16 1 1 A 28 28 ILE H H 28 8.281 8.277 0.004 1
1 275 . 16 1 1 A 28 28 ILE CA C 28 63.218 60.767 2.451 1
1 276 . 16 1 1 A 28 28 ILE HA H 28 4.885 4.925 -0.040 1
1 277 . 16 1 1 A 28 28 ILE CB C 28 40.979 38.489 2.490 1
1 290 . 16 1 1 A 28 28 ILE C C 28 179.002 174.342 4.660 1
1 291 . 16 1 1 A 29 29 TYR N N 29 124.797 124.595 0.202 1
1 292 . 16 1 1 A 29 29 TYR H H 29 8.812 8.500 0.312 1
1 293 . 16 1 1 A 29 29 TYR CA C 29 58.567 54.939 3.628 1
1 294 . 16 1 1 A 29 29 TYR HA H 29 4.691 5.072 -0.381 1
1 295 . 16 1 1 A 29 29 TYR CB C 29 41.239 41.743 -0.504 1
1 306 . 16 1 1 A 29 29 TYR C C 29 173.343 173.033 0.310 1
1 307 . 16 1 1 A 30 30 TYR N N 30 117.085 122.668 -5.583 1
1 308 . 16 1 1 A 30 30 TYR H H 30 8.925 8.329 0.596 1
1 309 . 16 1 1 A 30 30 TYR CA C 30 59.179 57.840 1.339 1
1 310 . 16 1 1 A 30 30 TYR HA H 30 5.431 4.972 0.459 1
1 311 . 16 1 1 A 30 30 TYR CB C 30 43.770 39.940 3.830 1
1 322 . 16 1 1 A 30 30 TYR C C 30 177.375 175.244 2.131 1
1 323 . 16 1 1 A 31 31 VAL N N 31 121.450 123.589 -2.139 1
1 324 . 16 1 1 A 31 31 VAL H H 31 9.204 9.592 -0.388 1
1 325 . 16 1 1 A 31 31 VAL CA C 31 62.688 61.303 1.385 1
1 326 . 16 1 1 A 31 31 VAL HA H 31 4.633 4.548 0.085 1
1 327 . 16 1 1 A 31 31 VAL CB C 31 37.509 32.839 4.670 1
1 337 . 16 1 1 A 31 31 VAL C C 31 175.631 173.694 1.937 1
1 338 . 16 1 1 A 32 32 ASP N N 32 126.397 128.113 -1.716 1
1 339 . 16 1 1 A 32 32 ASP H H 32 8.361 8.475 -0.114 1
1 340 . 16 1 1 A 32 32 ASP CA C 32 53.716 52.128 1.588 1
1 341 . 16 1 1 A 32 32 ASP HA H 32 3.844 4.337 -0.493 1
1 342 . 16 1 1 A 32 32 ASP CB C 32 41.631 39.658 1.973 1
1 345 . 16 1 1 A 32 32 ASP C C 32 179.908 176.361 3.547 1
1 346 . 16 1 1 A 33 33 HIS N N 33 122.272 122.658 -0.386 1
1 347 . 16 1 1 A 33 33 HIS H H 33 8.636 8.367 0.269 1
1 348 . 16 1 1 A 33 33 HIS CA C 33 60.587 57.268 3.319 1
1 349 . 16 1 1 A 33 33 HIS HA H 33 4.269 4.255 0.014 1
1 350 . 16 1 1 A 33 33 HIS CB C 33 33.066 28.876 4.190 1
1 357 . 16 1 1 A 33 33 HIS C C 33 178.929 177.074 1.855 1
1 358 . 16 1 1 A 34 34 ILE N N 34 120.451 120.494 -0.043 1
1 359 . 16 1 1 A 34 34 ILE H H 34 8.133 7.655 0.478 1
1 360 . 16 1 1 A 34 34 ILE CA C 34 65.440 64.025 1.415 1
1 361 . 16 1 1 A 34 34 ILE HA H 34 3.880 3.756 0.124 1
1 362 . 16 1 1 A 34 34 ILE CB C 34 39.306 37.850 1.456 1
1 375 . 16 1 1 A 34 34 ILE C C 34 179.561 177.906 1.655 1
1 376 . 16 1 1 A 35 35 ASN N N 35 116.293 117.346 -1.053 1
1 377 . 16 1 1 A 35 35 ASN H H 35 7.748 7.741 0.007 1
1 378 . 16 1 1 A 35 35 ASN CA C 35 55.406 53.003 2.403 1
1 379 . 16 1 1 A 35 35 ASN HA H 35 4.623 4.699 -0.076 1
1 380 . 16 1 1 A 35 35 ASN CB C 35 41.081 38.678 2.403 1
1 386 . 16 1 1 A 35 35 ASN C C 35 176.331 174.509 1.822 1
1 387 . 16 1 1 A 36 36 ARG N N 36 118.342 116.261 2.081 1
1 388 . 16 1 1 A 36 36 ARG H H 36 7.691 7.941 -0.250 1
1 389 . 16 1 1 A 36 36 ARG CA C 36 58.927 57.008 1.919 1
1 390 . 16 1 1 A 36 36 ARG HA H 36 3.921 4.085 -0.164 1
1 391 . 16 1 1 A 36 36 ARG CB C 36 28.757 26.960 1.797 1
1 400 . 16 1 1 A 36 36 ARG C C 36 177.156 174.415 2.741 1
1 401 . 16 1 1 A 37 37 LYS N N 37 118.394 114.549 3.845 1
1 402 . 16 1 1 A 37 37 LYS H H 37 7.574 7.393 0.181 1
1 403 . 16 1 1 A 37 37 LYS CA C 37 56.975 54.486 2.489 1
1 404 . 16 1 1 A 37 37 LYS HA H 37 4.761 4.907 -0.146 1
1 405 . 16 1 1 A 37 37 LYS CB C 37 38.331 35.951 2.380 1
1 417 . 16 1 1 A 37 37 LYS C C 37 177.346 175.130 2.216 1
1 418 . 16 1 1 A 38 38 THR N N 38 114.847 113.542 1.305 1
1 419 . 16 1 1 A 38 38 THR H H 38 8.348 8.821 -0.473 1
1 420 . 16 1 1 A 38 38 THR CA C 38 63.013 60.652 2.361 1
1 421 . 16 1 1 A 38 38 THR HA H 38 5.369 5.818 -0.449 1
1 422 . 16 1 1 A 38 38 THR CB C 38 73.561 70.945 2.616 1
1 428 . 16 1 1 A 38 38 THR C C 38 176.244 174.196 2.048 1
1 429 . 16 1 1 A 39 39 GLN N N 39 118.695 123.311 -4.616 1
1 430 . 16 1 1 A 39 39 GLN H H 39 9.258 8.734 0.524 1
1 431 . 16 1 1 A 39 39 GLN CA C 39 57.417 54.494 2.923 1
1 432 . 16 1 1 A 39 39 GLN HA H 39 4.862 5.063 -0.201 1
1 433 . 16 1 1 A 39 39 GLN CB C 39 33.937 32.702 1.235 1
1 442 . 16 1 1 A 39 39 GLN C C 39 176.863 175.096 1.767 1
1 443 . 16 1 1 A 40 40 TYR N N 40 119.839 121.101 -1.262 1
1 444 . 16 1 1 A 40 40 TYR H H 40 8.969 9.093 -0.124 1
1 445 . 16 1 1 A 40 40 TYR CA C 40 62.528 59.943 2.585 1
1 446 . 16 1 1 A 40 40 TYR HA H 40 4.737 4.105 0.632 1
1 447 . 16 1 1 A 40 40 TYR CB C 40 41.283 38.568 2.715 1
1 458 . 16 1 1 A 40 40 TYR C C 40 178.553 176.105 2.448 1
1 459 . 16 1 1 A 41 41 GLU N N 41 119.641 118.939 0.702 1
1 460 . 16 1 1 A 41 41 GLU H H 41 8.136 8.155 -0.019 1
1 461 . 16 1 1 A 41 41 GLU CA C 41 58.710 56.784 1.926 1
1 462 . 16 1 1 A 41 41 GLU HA H 41 4.357 4.515 -0.158 1
1 463 . 16 1 1 A 41 41 GLU CB C 41 32.272 30.567 1.705 1
1 469 . 16 1 1 A 41 41 GLU C C 41 177.835 175.699 2.136 1
1 470 . 16 1 1 A 42 42 ASN N N 42 123.220 121.029 2.191 1
1 471 . 16 1 1 A 42 42 ASN H H 42 8.597 8.651 -0.054 1
1 472 . 16 1 1 A 42 42 ASN CA C 42 53.458 49.759 3.699 1
1 473 . 16 1 1 A 42 42 ASN HA H 42 4.351 5.379 -1.028 1
1 474 . 16 1 1 A 42 42 ASN CB C 42 40.674 39.751 0.923 1
1 480 . 16 1 1 A 42 42 ASN C C 42 177.142 174.435 2.707 1
1 481 . 16 1 1 A 43 43 PRO CA C 43 65.366 63.435 1.931 1
1 482 . 16 1 1 A 43 43 PRO HA H 43 3.966 4.414 -0.448 1
1 483 . 16 1 1 A 43 43 PRO CB C 43 33.339 31.756 1.583 1
1 488 . 16 1 1 A 43 43 PRO C C 43 178.905 176.200 2.705 1
1 489 . 16 1 1 A 44 44 SER N N 44 116.274 115.856 0.418 1
1 490 . 16 1 1 A 44 44 SER H H 44 8.245 7.429 0.816 1
1 491 . 16 1 1 A 44 44 SER CA C 44 61.072 59.681 1.391 1
1 492 . 16 1 1 A 44 44 SER HA H 44 4.268 4.073 0.195 1
1 493 . 16 1 1 A 44 44 SER CB C 44 65.891 63.177 2.714 1
1 496 . 16 1 1 A 44 44 SER C C 44 176.440 174.071 2.369 1
1 497 . 16 1 1 A 45 45 GLY N N 45 109.785 112.717 -2.932 1
1 498 . 16 1 1 A 45 45 GLY H H 45 7.793 8.560 -0.767 1
1 499 . 16 1 1 A 45 45 GLY CA C 45 46.773 44.477 2.296 1
1 500 . 16 1 1 A 45 45 GLY HA2 H 45 4.062 4.148 -0.086 1
1 501 . 16 1 1 A 45 45 GLY HA3 H 45 4.016 4.150 -0.134 1
1 502 . 16 1 1 A 45 45 GLY C C 45 173.701 173.910 -0.209 1
1 503 . 16 1 1 A 46 46 PRO CA C 46 65.308 64.472 0.836 1
1 504 . 16 1 1 A 46 46 PRO HA H 46 4.479 4.384 0.095 1
1 505 . 16 1 1 A 46 46 PRO CB C 46 34.414 31.927 2.487 1
1 514 . 16 1 1 A 46 46 PRO C C 46 179.687 178.047 1.640 1
1 515 . 16 1 1 A 47 47 SER N N 47 116.800 114.455 2.345 1
1 516 . 16 1 1 A 47 47 SER H H 47 8.557 8.447 0.110 1
1 517 . 16 1 1 A 47 47 SER CA C 47 60.610 61.609 -0.999 1
1 518 . 16 1 1 A 47 47 SER HA H 47 4.503 4.170 0.333 1
1 519 . 16 1 1 A 47 47 SER CB C 47 66.122 62.557 3.565 1
1 522 . 16 1 1 A 47 47 SER C C 47 177.035 176.279 0.756 1
1 523 . 16 1 1 A 48 48 SER N N 48 118.250 116.496 1.754 1
1 524 . 16 1 1 A 48 48 SER H H 48 8.402 8.106 0.296 1
1 525 . 16 1 1 A 48 48 SER CA C 48 60.804 61.183 -0.379 1
1 526 . 16 1 1 A 48 48 SER HA H 48 4.529 4.164 0.365 1
1 527 . 16 1 1 A 48 48 SER CB C 48 66.152 62.746 3.406 1
1 530 . 16 1 1 A 48 48 SER C C 48 176.272 174.963 1.309 1
1 1 . 17 1 1 A 5 5 SER CA C 5 60.635 60.647 -0.012 1
1 2 . 17 1 1 A 5 5 SER HA H 5 4.585 4.363 0.222 1
1 3 . 17 1 1 A 5 5 SER CB C 5 66.298 63.714 2.584 1
1 6 . 17 1 1 A 5 5 SER C C 5 177.168 174.661 2.507 1
1 7 . 17 1 1 A 6 6 SER N N 6 118.338 113.129 5.209 1
1 8 . 17 1 1 A 6 6 SER H H 6 8.569 8.076 0.493 1
1 9 . 17 1 1 A 6 6 SER CA C 6 60.885 56.325 4.560 1
1 10 . 17 1 1 A 6 6 SER HA H 6 4.535 4.799 -0.264 1
1 11 . 17 1 1 A 6 6 SER CB C 6 66.148 65.995 0.153 1
1 14 . 17 1 1 A 6 6 SER C C 6 177.326 174.215 3.111 1
1 15 . 17 1 1 A 7 7 GLY N N 7 111.002 108.297 2.705 1
1 16 . 17 1 1 A 7 7 GLY H H 7 8.476 8.640 -0.164 1
1 17 . 17 1 1 A 7 7 GLY CA C 7 47.617 45.837 1.780 1
1 18 . 17 1 1 A 7 7 GLY HA2 H 7 4.019 4.037 -0.018 1
1 19 . 17 1 1 A 7 7 GLY HA3 H 7 4.019 4.040 -0.021 1
1 20 . 17 1 1 A 7 7 GLY C C 7 176.492 174.411 2.081 1
1 21 . 17 1 1 A 8 8 LEU N N 8 121.799 126.684 -4.885 1
1 22 . 17 1 1 A 8 8 LEU H H 8 8.193 8.744 -0.551 1
1 23 . 17 1 1 A 8 8 LEU CA C 8 57.462 57.396 0.066 1
1 24 . 17 1 1 A 8 8 LEU HA H 8 4.394 4.260 0.134 1
1 25 . 17 1 1 A 8 8 LEU CB C 8 44.690 42.351 2.339 1
1 37 . 17 1 1 A 8 8 LEU C C 8 179.755 177.848 1.907 1
1 38 . 17 1 1 A 9 9 ASP N N 9 121.308 116.908 4.400 1
1 39 . 17 1 1 A 9 9 ASP H H 9 8.466 8.555 -0.089 1
1 40 . 17 1 1 A 9 9 ASP CA C 9 56.935 54.101 2.834 1
1 41 . 17 1 1 A 9 9 ASP HA H 9 4.606 4.523 0.083 1
1 42 . 17 1 1 A 9 9 ASP CB C 9 43.197 39.500 3.697 1
1 45 . 17 1 1 A 9 9 ASP C C 9 178.791 176.518 2.273 1
1 46 . 17 1 1 A 10 10 SER N N 10 115.813 115.930 -0.117 1
1 47 . 17 1 1 A 10 10 SER H H 10 8.187 7.836 0.351 1
1 48 . 17 1 1 A 10 10 SER CA C 10 60.991 59.078 1.913 1
1 49 . 17 1 1 A 10 10 SER HA H 10 4.407 4.478 -0.071 1
1 50 . 17 1 1 A 10 10 SER CB C 10 66.161 62.688 3.473 1
1 53 . 17 1 1 A 10 10 SER C C 10 176.964 174.744 2.220 1
1 54 . 17 1 1 A 11 11 GLU N N 11 122.677 115.923 6.754 1
1 55 . 17 1 1 A 11 11 GLU H H 11 8.443 8.422 0.021 1
1 56 . 17 1 1 A 11 11 GLU CA C 11 58.754 55.971 2.783 1
1 57 . 17 1 1 A 11 11 GLU HA H 11 4.316 4.371 -0.055 1
1 58 . 17 1 1 A 11 11 GLU CB C 11 32.345 29.578 2.767 1
1 64 . 17 1 1 A 11 11 GLU C C 11 178.630 175.856 2.774 1
1 65 . 17 1 1 A 12 12 LEU N N 12 122.751 122.021 0.730 1
1 66 . 17 1 1 A 12 12 LEU H H 12 8.101 7.124 0.977 1
1 67 . 17 1 1 A 12 12 LEU CA C 12 57.200 53.459 3.741 1
1 68 . 17 1 1 A 12 12 LEU HA H 12 4.330 4.795 -0.465 1
1 69 . 17 1 1 A 12 12 LEU CB C 12 44.701 44.809 -0.108 1
1 82 . 17 1 1 A 12 12 LEU C C 12 179.430 175.864 3.566 1
1 83 . 17 1 1 A 13 13 GLU N N 13 122.737 120.788 1.949 1
1 84 . 17 1 1 A 13 13 GLU H H 13 8.361 8.511 -0.150 1
1 85 . 17 1 1 A 13 13 GLU CA C 13 58.512 54.806 3.706 1
1 86 . 17 1 1 A 13 13 GLU HA H 13 4.272 4.661 -0.389 1
1 87 . 17 1 1 A 13 13 GLU CB C 13 32.697 31.221 1.476 1
1 93 . 17 1 1 A 13 13 GLU C C 13 178.439 176.013 2.426 1
1 94 . 17 1 1 A 14 14 LEU N N 14 124.926 122.618 2.308 1
1 95 . 17 1 1 A 14 14 LEU H H 14 8.476 8.474 0.002 1
1 96 . 17 1 1 A 14 14 LEU CA C 14 54.936 52.154 2.782 1
1 97 . 17 1 1 A 14 14 LEU HA H 14 4.513 4.568 -0.055 1
1 98 . 17 1 1 A 14 14 LEU CB C 14 44.202 42.000 2.202 1
1 111 . 17 1 1 A 14 14 LEU C C 14 176.898 174.842 2.056 1
1 112 . 17 1 1 A 15 15 PRO CA C 15 64.197 62.185 2.012 1
1 113 . 17 1 1 A 15 15 PRO HA H 15 4.505 4.583 -0.078 1
1 114 . 17 1 1 A 15 15 PRO CB C 15 33.625 33.012 0.613 1
1 123 . 17 1 1 A 15 15 PRO C C 15 178.217 176.305 1.912 1
1 124 . 17 1 1 A 16 16 ALA N N 16 123.785 124.259 -0.474 1
1 125 . 17 1 1 A 16 16 ALA H H 16 8.483 8.326 0.157 1
1 126 . 17 1 1 A 16 16 ALA CA C 16 55.949 53.495 2.454 1
1 127 . 17 1 1 A 16 16 ALA HA H 16 4.250 3.979 0.271 1
1 128 . 17 1 1 A 16 16 ALA CB C 16 20.671 18.934 1.737 1
1 132 . 17 1 1 A 16 16 ALA C C 16 180.993 178.333 2.660 1
1 133 . 17 1 1 A 17 17 GLY N N 17 110.361 109.901 0.460 1
1 134 . 17 1 1 A 17 17 GLY H H 17 8.826 8.973 -0.147 1
1 135 . 17 1 1 A 17 17 GLY CA C 17 47.644 45.354 2.290 1
1 136 . 17 1 1 A 17 17 GLY HA2 H 17 3.781 4.012 -0.231 1
1 137 . 17 1 1 A 17 17 GLY HA3 H 17 4.248 4.021 0.227 1
1 138 . 17 1 1 A 17 17 GLY C C 17 175.678 174.460 1.218 1
1 139 . 17 1 1 A 18 18 TRP N N 18 118.683 120.726 -2.043 1
1 140 . 17 1 1 A 18 18 TRP H H 18 7.771 7.808 -0.037 1
1 141 . 17 1 1 A 18 18 TRP CA C 18 59.186 58.114 1.072 1
1 142 . 17 1 1 A 18 18 TRP HA H 18 5.710 4.641 1.069 1
1 143 . 17 1 1 A 18 18 TRP CB C 18 34.117 30.620 3.497 1
1 158 . 17 1 1 A 18 18 TRP C C 18 179.094 175.836 3.258 1
1 159 . 17 1 1 A 19 19 GLU N N 19 122.400 122.726 -0.326 1
1 160 . 17 1 1 A 19 19 GLU H H 19 9.431 8.521 0.910 1
1 161 . 17 1 1 A 19 19 GLU CA C 19 57.452 55.693 1.759 1
1 162 . 17 1 1 A 19 19 GLU HA H 19 4.668 4.739 -0.071 1
1 163 . 17 1 1 A 19 19 GLU CB C 19 36.636 32.947 3.689 1
1 169 . 17 1 1 A 19 19 GLU C C 19 176.242 175.130 1.112 1
1 170 . 17 1 1 A 20 20 LYS N N 20 126.826 123.547 3.279 1
1 171 . 17 1 1 A 20 20 LYS H H 20 8.839 8.402 0.437 1
1 172 . 17 1 1 A 20 20 LYS CA C 20 57.834 56.357 1.477 1
1 173 . 17 1 1 A 20 20 LYS HA H 20 4.396 4.423 -0.027 1
1 174 . 17 1 1 A 20 20 LYS CB C 20 36.189 32.819 3.370 1
1 186 . 17 1 1 A 20 20 LYS C C 20 176.986 175.739 1.247 1
1 187 . 17 1 1 A 21 21 ILE N N 21 130.514 123.316 7.198 1
1 188 . 17 1 1 A 21 21 ILE H H 21 8.899 8.605 0.294 1
1 189 . 17 1 1 A 21 21 ILE CA C 21 61.347 59.710 1.637 1
1 190 . 17 1 1 A 21 21 ILE HA H 21 4.062 4.590 -0.528 1
1 191 . 17 1 1 A 21 21 ILE CB C 21 40.504 40.518 -0.014 1
1 204 . 17 1 1 A 21 21 ILE C C 21 176.050 174.733 1.317 1
1 205 . 17 1 1 A 22 22 GLU N N 22 124.786 127.156 -2.370 1
1 206 . 17 1 1 A 22 22 GLU H H 22 8.328 8.618 -0.290 1
1 207 . 17 1 1 A 22 22 GLU CA C 22 56.983 55.276 1.707 1
1 208 . 17 1 1 A 22 22 GLU HA H 22 4.439 5.111 -0.672 1
1 209 . 17 1 1 A 22 22 GLU CB C 22 32.206 30.951 1.255 1
1 215 . 17 1 1 A 22 22 GLU C C 22 176.960 174.984 1.976 1
1 216 . 17 1 1 A 23 23 ASP N N 23 128.273 124.249 4.024 1
1 217 . 17 1 1 A 23 23 ASP H H 23 8.412 8.919 -0.507 1
1 218 . 17 1 1 A 23 23 ASP CA C 23 53.796 50.812 2.984 1
1 219 . 17 1 1 A 23 23 ASP HA H 23 5.093 5.194 -0.101 1
1 220 . 17 1 1 A 23 23 ASP CB C 23 47.804 44.438 3.366 1
1 223 . 17 1 1 A 23 23 ASP C C 23 177.989 175.668 2.321 1
1 224 . 17 1 1 A 24 24 PRO CA C 24 66.947 64.193 2.754 1
1 225 . 17 1 1 A 24 24 PRO HA H 24 4.377 4.508 -0.131 1
1 226 . 17 1 1 A 24 24 PRO CB C 24 34.504 31.860 2.644 1
1 235 . 17 1 1 A 24 24 PRO C C 24 178.884 177.097 1.787 1
1 236 . 17 1 1 A 25 25 VAL N N 25 118.954 115.887 3.067 1
1 237 . 17 1 1 A 25 25 VAL H H 25 8.498 8.156 0.342 1
1 238 . 17 1 1 A 25 25 VAL CA C 25 66.276 63.830 2.446 1
1 239 . 17 1 1 A 25 25 VAL HA H 25 3.885 4.070 -0.185 1
1 240 . 17 1 1 A 25 25 VAL CB C 25 35.312 33.346 1.966 1
1 250 . 17 1 1 A 25 25 VAL C C 25 179.867 177.076 2.791 1
1 251 . 17 1 1 A 26 26 TYR N N 26 118.189 116.640 1.549 1
1 252 . 17 1 1 A 26 26 TYR H H 26 8.623 7.963 0.660 1
1 253 . 17 1 1 A 26 26 TYR CA C 26 61.321 58.450 2.871 1
1 254 . 17 1 1 A 26 26 TYR HA H 26 4.495 4.677 -0.182 1
1 255 . 17 1 1 A 26 26 TYR CB C 26 41.356 39.267 2.089 1
1 266 . 17 1 1 A 26 26 TYR C C 26 178.462 176.669 1.793 1
1 267 . 17 1 1 A 27 27 GLY N N 27 110.334 106.825 3.509 1
1 268 . 17 1 1 A 27 27 GLY H H 27 8.220 8.542 -0.322 1
1 269 . 17 1 1 A 27 27 GLY CA C 27 47.221 45.569 1.652 1
1 270 . 17 1 1 A 27 27 GLY HA2 H 27 3.910 4.201 -0.291 1
1 271 . 17 1 1 A 27 27 GLY HA3 H 27 4.389 4.276 0.113 1
1 272 . 17 1 1 A 27 27 GLY C C 27 175.432 173.519 1.913 1
1 273 . 17 1 1 A 28 28 ILE N N 28 121.398 122.790 -1.392 1
1 274 . 17 1 1 A 28 28 ILE H H 28 8.281 8.417 -0.136 1
1 275 . 17 1 1 A 28 28 ILE CA C 28 63.218 60.537 2.681 1
1 276 . 17 1 1 A 28 28 ILE HA H 28 4.885 5.126 -0.241 1
1 277 . 17 1 1 A 28 28 ILE CB C 28 40.979 39.044 1.935 1
1 290 . 17 1 1 A 28 28 ILE C C 28 179.002 174.468 4.534 1
1 291 . 17 1 1 A 29 29 TYR N N 29 124.797 124.254 0.543 1
1 292 . 17 1 1 A 29 29 TYR H H 29 8.812 8.506 0.306 1
1 293 . 17 1 1 A 29 29 TYR CA C 29 58.567 54.852 3.715 1
1 294 . 17 1 1 A 29 29 TYR HA H 29 4.691 4.955 -0.264 1
1 295 . 17 1 1 A 29 29 TYR CB C 29 41.239 41.608 -0.369 1
1 306 . 17 1 1 A 29 29 TYR C C 29 173.343 172.735 0.608 1
1 307 . 17 1 1 A 30 30 TYR N N 30 117.085 122.111 -5.026 1
1 308 . 17 1 1 A 30 30 TYR H H 30 8.925 8.566 0.359 1
1 309 . 17 1 1 A 30 30 TYR CA C 30 59.179 57.839 1.340 1
1 310 . 17 1 1 A 30 30 TYR HA H 30 5.431 4.975 0.456 1
1 311 . 17 1 1 A 30 30 TYR CB C 30 43.770 40.013 3.757 1
1 322 . 17 1 1 A 30 30 TYR C C 30 177.375 175.363 2.012 1
1 323 . 17 1 1 A 31 31 VAL N N 31 121.450 123.416 -1.966 1
1 324 . 17 1 1 A 31 31 VAL H H 31 9.204 9.466 -0.262 1
1 325 . 17 1 1 A 31 31 VAL CA C 31 62.688 61.185 1.503 1
1 326 . 17 1 1 A 31 31 VAL HA H 31 4.633 4.750 -0.117 1
1 327 . 17 1 1 A 31 31 VAL CB C 31 37.509 33.051 4.458 1
1 337 . 17 1 1 A 31 31 VAL C C 31 175.631 173.801 1.830 1
1 338 . 17 1 1 A 32 32 ASP N N 32 126.397 128.089 -1.692 1
1 339 . 17 1 1 A 32 32 ASP H H 32 8.361 8.725 -0.364 1
1 340 . 17 1 1 A 32 32 ASP CA C 32 53.716 51.936 1.780 1
1 341 . 17 1 1 A 32 32 ASP HA H 32 3.844 4.656 -0.812 1
1 342 . 17 1 1 A 32 32 ASP CB C 32 41.631 39.993 1.638 1
1 345 . 17 1 1 A 32 32 ASP C C 32 179.908 176.529 3.379 1
1 346 . 17 1 1 A 33 33 HIS N N 33 122.272 122.636 -0.364 1
1 347 . 17 1 1 A 33 33 HIS H H 33 8.636 8.118 0.518 1
1 348 . 17 1 1 A 33 33 HIS CA C 33 60.587 57.303 3.284 1
1 349 . 17 1 1 A 33 33 HIS HA H 33 4.269 4.261 0.008 1
1 350 . 17 1 1 A 33 33 HIS CB C 33 33.066 28.858 4.208 1
1 357 . 17 1 1 A 33 33 HIS C C 33 178.929 177.272 1.657 1
1 358 . 17 1 1 A 34 34 ILE N N 34 120.451 120.507 -0.056 1
1 359 . 17 1 1 A 34 34 ILE H H 34 8.133 8.136 -0.003 1
1 360 . 17 1 1 A 34 34 ILE CA C 34 65.440 64.670 0.770 1
1 361 . 17 1 1 A 34 34 ILE HA H 34 3.880 3.797 0.083 1
1 362 . 17 1 1 A 34 34 ILE CB C 34 39.306 38.380 0.926 1
1 375 . 17 1 1 A 34 34 ILE C C 34 179.561 177.301 2.260 1
1 376 . 17 1 1 A 35 35 ASN N N 35 116.293 116.706 -0.413 1
1 377 . 17 1 1 A 35 35 ASN H H 35 7.748 7.871 -0.123 1
1 378 . 17 1 1 A 35 35 ASN CA C 35 55.406 52.760 2.646 1
1 379 . 17 1 1 A 35 35 ASN HA H 35 4.623 4.777 -0.154 1
1 380 . 17 1 1 A 35 35 ASN CB C 35 41.081 38.633 2.448 1
1 386 . 17 1 1 A 35 35 ASN C C 35 176.331 174.325 2.006 1
1 387 . 17 1 1 A 36 36 ARG N N 36 118.342 116.532 1.810 1
1 388 . 17 1 1 A 36 36 ARG H H 36 7.691 7.931 -0.240 1
1 389 . 17 1 1 A 36 36 ARG CA C 36 58.927 57.057 1.870 1
1 390 . 17 1 1 A 36 36 ARG HA H 36 3.921 4.091 -0.170 1
1 391 . 17 1 1 A 36 36 ARG CB C 36 28.757 27.012 1.745 1
1 400 . 17 1 1 A 36 36 ARG C C 36 177.156 174.388 2.768 1
1 401 . 17 1 1 A 37 37 LYS N N 37 118.394 117.166 1.228 1
1 402 . 17 1 1 A 37 37 LYS H H 37 7.574 6.838 0.736 1
1 403 . 17 1 1 A 37 37 LYS CA C 37 56.975 54.409 2.566 1
1 404 . 17 1 1 A 37 37 LYS HA H 37 4.761 4.912 -0.151 1
1 405 . 17 1 1 A 37 37 LYS CB C 37 38.331 35.192 3.139 1
1 417 . 17 1 1 A 37 37 LYS C C 37 177.346 175.329 2.017 1
1 418 . 17 1 1 A 38 38 THR N N 38 114.847 112.730 2.117 1
1 419 . 17 1 1 A 38 38 THR H H 38 8.348 8.767 -0.419 1
1 420 . 17 1 1 A 38 38 THR CA C 38 63.013 60.385 2.628 1
1 421 . 17 1 1 A 38 38 THR HA H 38 5.369 5.589 -0.220 1
1 422 . 17 1 1 A 38 38 THR CB C 38 73.561 70.905 2.656 1
1 428 . 17 1 1 A 38 38 THR C C 38 176.244 173.736 2.508 1
1 429 . 17 1 1 A 39 39 GLN N N 39 118.695 124.463 -5.768 1
1 430 . 17 1 1 A 39 39 GLN H H 39 9.258 8.621 0.637 1
1 431 . 17 1 1 A 39 39 GLN CA C 39 57.417 54.517 2.900 1
1 432 . 17 1 1 A 39 39 GLN HA H 39 4.862 5.074 -0.212 1
1 433 . 17 1 1 A 39 39 GLN CB C 39 33.937 32.816 1.121 1
1 442 . 17 1 1 A 39 39 GLN C C 39 176.863 174.946 1.917 1
1 443 . 17 1 1 A 40 40 TYR N N 40 119.839 120.780 -0.941 1
1 444 . 17 1 1 A 40 40 TYR H H 40 8.969 9.111 -0.142 1
1 445 . 17 1 1 A 40 40 TYR CA C 40 62.528 60.055 2.473 1
1 446 . 17 1 1 A 40 40 TYR HA H 40 4.737 4.137 0.600 1
1 447 . 17 1 1 A 40 40 TYR CB C 40 41.283 38.538 2.745 1
1 458 . 17 1 1 A 40 40 TYR C C 40 178.553 176.076 2.477 1
1 459 . 17 1 1 A 41 41 GLU N N 41 119.641 118.557 1.084 1
1 460 . 17 1 1 A 41 41 GLU H H 41 8.136 8.090 0.046 1
1 461 . 17 1 1 A 41 41 GLU CA C 41 58.710 56.759 1.951 1
1 462 . 17 1 1 A 41 41 GLU HA H 41 4.357 4.462 -0.105 1
1 463 . 17 1 1 A 41 41 GLU CB C 41 32.272 30.725 1.547 1
1 469 . 17 1 1 A 41 41 GLU C C 41 177.835 175.650 2.185 1
1 470 . 17 1 1 A 42 42 ASN N N 42 123.220 120.653 2.567 1
1 471 . 17 1 1 A 42 42 ASN H H 42 8.597 8.735 -0.138 1
1 472 . 17 1 1 A 42 42 ASN CA C 42 53.458 49.796 3.662 1
1 473 . 17 1 1 A 42 42 ASN HA H 42 4.351 5.550 -1.199 1
1 474 . 17 1 1 A 42 42 ASN CB C 42 40.674 39.813 0.861 1
1 480 . 17 1 1 A 42 42 ASN C C 42 177.142 174.527 2.615 1
1 481 . 17 1 1 A 43 43 PRO CA C 43 65.366 63.955 1.411 1
1 482 . 17 1 1 A 43 43 PRO HA H 43 3.966 4.389 -0.423 1
1 483 . 17 1 1 A 43 43 PRO CB C 43 33.339 31.812 1.527 1
1 488 . 17 1 1 A 43 43 PRO C C 43 178.905 177.064 1.841 1
1 489 . 17 1 1 A 44 44 SER N N 44 116.274 112.702 3.572 1
1 490 . 17 1 1 A 44 44 SER H H 44 8.245 8.041 0.204 1
1 491 . 17 1 1 A 44 44 SER CA C 44 61.072 61.551 -0.479 1
1 492 . 17 1 1 A 44 44 SER HA H 44 4.268 4.006 0.262 1
1 493 . 17 1 1 A 44 44 SER CB C 44 65.891 63.066 2.825 1
1 496 . 17 1 1 A 44 44 SER C C 44 176.440 175.846 0.594 1
1 497 . 17 1 1 A 45 45 GLY N N 45 109.785 109.972 -0.187 1
1 498 . 17 1 1 A 45 45 GLY H H 45 7.793 7.936 -0.143 1
1 499 . 17 1 1 A 45 45 GLY CA C 45 46.773 44.396 2.377 1
1 500 . 17 1 1 A 45 45 GLY HA2 H 45 4.062 4.051 0.011 1
1 501 . 17 1 1 A 45 45 GLY HA3 H 45 4.016 4.059 -0.043 1
1 502 . 17 1 1 A 45 45 GLY C C 45 173.701 173.169 0.532 1
1 503 . 17 1 1 A 46 46 PRO CA C 46 65.308 62.320 2.988 1
1 504 . 17 1 1 A 46 46 PRO HA H 46 4.479 4.686 -0.207 1
1 505 . 17 1 1 A 46 46 PRO CB C 46 34.414 29.464 4.950 1
1 514 . 17 1 1 A 46 46 PRO C C 46 179.687 175.700 3.987 1
1 515 . 17 1 1 A 47 47 SER N N 47 116.800 114.825 1.975 1
1 516 . 17 1 1 A 47 47 SER H H 47 8.557 8.073 0.484 1
1 517 . 17 1 1 A 47 47 SER CA C 47 60.610 56.904 3.706 1
1 518 . 17 1 1 A 47 47 SER HA H 47 4.503 5.257 -0.754 1
1 519 . 17 1 1 A 47 47 SER CB C 47 66.122 64.722 1.400 1
1 522 . 17 1 1 A 47 47 SER C C 47 177.035 173.920 3.115 1
1 523 . 17 1 1 A 48 48 SER N N 48 118.250 120.454 -2.204 1
1 524 . 17 1 1 A 48 48 SER H H 48 8.402 8.773 -0.371 1
1 525 . 17 1 1 A 48 48 SER CA C 48 60.804 56.984 3.820 1
1 526 . 17 1 1 A 48 48 SER HA H 48 4.529 4.994 -0.465 1
1 527 . 17 1 1 A 48 48 SER CB C 48 66.152 65.876 0.276 1
1 530 . 17 1 1 A 48 48 SER C C 48 176.272 174.414 1.858 1
1 1 . 18 1 1 A 5 5 SER CA C 5 60.635 57.384 3.251 1
1 2 . 18 1 1 A 5 5 SER HA H 5 4.585 4.703 -0.118 1
1 3 . 18 1 1 A 5 5 SER CB C 5 66.298 64.755 1.543 1
1 6 . 18 1 1 A 5 5 SER C C 5 177.168 175.638 1.530 1
1 7 . 18 1 1 A 6 6 SER N N 6 118.338 120.859 -2.521 1
1 8 . 18 1 1 A 6 6 SER H H 6 8.569 8.873 -0.304 1
1 9 . 18 1 1 A 6 6 SER CA C 6 60.885 61.284 -0.399 1
1 10 . 18 1 1 A 6 6 SER HA H 6 4.535 4.211 0.324 1
1 11 . 18 1 1 A 6 6 SER CB C 6 66.148 63.367 2.781 1
1 14 . 18 1 1 A 6 6 SER C C 6 177.326 174.932 2.394 1
1 15 . 18 1 1 A 7 7 GLY N N 7 111.002 105.868 5.134 1
1 16 . 18 1 1 A 7 7 GLY H H 7 8.476 7.557 0.919 1
1 17 . 18 1 1 A 7 7 GLY CA C 7 47.617 45.071 2.546 1
1 18 . 18 1 1 A 7 7 GLY HA2 H 7 4.019 4.107 -0.088 1
1 19 . 18 1 1 A 7 7 GLY HA3 H 7 4.019 4.111 -0.092 1
1 20 . 18 1 1 A 7 7 GLY C C 7 176.492 174.453 2.039 1
1 21 . 18 1 1 A 8 8 LEU N N 8 121.799 123.927 -2.128 1
1 22 . 18 1 1 A 8 8 LEU H H 8 8.193 8.853 -0.660 1
1 23 . 18 1 1 A 8 8 LEU CA C 8 57.462 56.572 0.890 1
1 24 . 18 1 1 A 8 8 LEU HA H 8 4.394 4.277 0.117 1
1 25 . 18 1 1 A 8 8 LEU CB C 8 44.690 42.576 2.114 1
1 37 . 18 1 1 A 8 8 LEU C C 8 179.755 177.746 2.009 1
1 38 . 18 1 1 A 9 9 ASP N N 9 121.308 116.424 4.884 1
1 39 . 18 1 1 A 9 9 ASP H H 9 8.466 8.343 0.123 1
1 40 . 18 1 1 A 9 9 ASP CA C 9 56.935 53.411 3.524 1
1 41 . 18 1 1 A 9 9 ASP HA H 9 4.606 4.635 -0.029 1
1 42 . 18 1 1 A 9 9 ASP CB C 9 43.197 39.872 3.325 1
1 45 . 18 1 1 A 9 9 ASP C C 9 178.791 176.389 2.402 1
1 46 . 18 1 1 A 10 10 SER N N 10 115.813 115.084 0.729 1
1 47 . 18 1 1 A 10 10 SER H H 10 8.187 8.086 0.101 1
1 48 . 18 1 1 A 10 10 SER CA C 10 60.991 58.831 2.160 1
1 49 . 18 1 1 A 10 10 SER HA H 10 4.407 4.583 -0.176 1
1 50 . 18 1 1 A 10 10 SER CB C 10 66.161 63.293 2.868 1
1 53 . 18 1 1 A 10 10 SER C C 10 176.964 174.907 2.057 1
1 54 . 18 1 1 A 11 11 GLU N N 11 122.677 117.944 4.733 1
1 55 . 18 1 1 A 11 11 GLU H H 11 8.443 8.441 0.002 1
1 56 . 18 1 1 A 11 11 GLU CA C 11 58.754 55.658 3.096 1
1 57 . 18 1 1 A 11 11 GLU HA H 11 4.316 4.475 -0.159 1
1 58 . 18 1 1 A 11 11 GLU CB C 11 32.345 29.708 2.637 1
1 64 . 18 1 1 A 11 11 GLU C C 11 178.630 175.753 2.877 1
1 65 . 18 1 1 A 12 12 LEU N N 12 122.751 122.416 0.335 1
1 66 . 18 1 1 A 12 12 LEU H H 12 8.101 7.514 0.587 1
1 67 . 18 1 1 A 12 12 LEU CA C 12 57.200 53.259 3.941 1
1 68 . 18 1 1 A 12 12 LEU HA H 12 4.330 4.753 -0.423 1
1 69 . 18 1 1 A 12 12 LEU CB C 12 44.701 44.675 0.026 1
1 82 . 18 1 1 A 12 12 LEU C C 12 179.430 176.030 3.400 1
1 83 . 18 1 1 A 13 13 GLU N N 13 122.737 120.271 2.466 1
1 84 . 18 1 1 A 13 13 GLU H H 13 8.361 8.660 -0.299 1
1 85 . 18 1 1 A 13 13 GLU CA C 13 58.512 54.375 4.137 1
1 86 . 18 1 1 A 13 13 GLU HA H 13 4.272 4.667 -0.395 1
1 87 . 18 1 1 A 13 13 GLU CB C 13 32.697 31.494 1.203 1
1 93 . 18 1 1 A 13 13 GLU C C 13 178.439 176.443 1.996 1
1 94 . 18 1 1 A 14 14 LEU N N 14 124.926 122.080 2.846 1
1 95 . 18 1 1 A 14 14 LEU H H 14 8.476 8.470 0.006 1
1 96 . 18 1 1 A 14 14 LEU CA C 14 54.936 52.707 2.229 1
1 97 . 18 1 1 A 14 14 LEU HA H 14 4.513 4.554 -0.041 1
1 98 . 18 1 1 A 14 14 LEU CB C 14 44.202 41.248 2.954 1
1 111 . 18 1 1 A 14 14 LEU C C 14 176.898 174.657 2.241 1
1 112 . 18 1 1 A 15 15 PRO CA C 15 64.197 62.191 2.006 1
1 113 . 18 1 1 A 15 15 PRO HA H 15 4.505 4.618 -0.113 1
1 114 . 18 1 1 A 15 15 PRO CB C 15 33.625 33.033 0.592 1
1 123 . 18 1 1 A 15 15 PRO C C 15 178.217 176.281 1.936 1
1 124 . 18 1 1 A 16 16 ALA N N 16 123.785 124.307 -0.522 1
1 125 . 18 1 1 A 16 16 ALA H H 16 8.483 8.319 0.164 1
1 126 . 18 1 1 A 16 16 ALA CA C 16 55.949 53.277 2.672 1
1 127 . 18 1 1 A 16 16 ALA HA H 16 4.250 4.030 0.220 1
1 128 . 18 1 1 A 16 16 ALA CB C 16 20.671 18.845 1.826 1
1 132 . 18 1 1 A 16 16 ALA C C 16 180.993 178.351 2.642 1
1 133 . 18 1 1 A 17 17 GLY N N 17 110.361 109.852 0.509 1
1 134 . 18 1 1 A 17 17 GLY H H 17 8.826 9.012 -0.186 1
1 135 . 18 1 1 A 17 17 GLY CA C 17 47.644 45.203 2.441 1
1 136 . 18 1 1 A 17 17 GLY HA2 H 17 3.781 4.027 -0.246 1
1 137 . 18 1 1 A 17 17 GLY HA3 H 17 4.248 4.045 0.203 1
1 138 . 18 1 1 A 17 17 GLY C C 17 175.678 174.432 1.246 1
1 139 . 18 1 1 A 18 18 TRP N N 18 118.683 120.605 -1.922 1
1 140 . 18 1 1 A 18 18 TRP H H 18 7.771 7.926 -0.155 1
1 141 . 18 1 1 A 18 18 TRP CA C 18 59.186 57.395 1.791 1
1 142 . 18 1 1 A 18 18 TRP HA H 18 5.710 5.030 0.680 1
1 143 . 18 1 1 A 18 18 TRP CB C 18 34.117 31.048 3.069 1
1 158 . 18 1 1 A 18 18 TRP C C 18 179.094 176.027 3.067 1
1 159 . 18 1 1 A 19 19 GLU N N 19 122.400 120.054 2.346 1
1 160 . 18 1 1 A 19 19 GLU H H 19 9.431 8.974 0.457 1
1 161 . 18 1 1 A 19 19 GLU CA C 19 57.452 55.077 2.375 1
1 162 . 18 1 1 A 19 19 GLU HA H 19 4.668 5.053 -0.385 1
1 163 . 18 1 1 A 19 19 GLU CB C 19 36.636 32.962 3.674 1
1 169 . 18 1 1 A 19 19 GLU C C 19 176.242 174.811 1.431 1
1 170 . 18 1 1 A 20 20 LYS N N 20 126.826 122.394 4.432 1
1 171 . 18 1 1 A 20 20 LYS H H 20 8.839 8.535 0.304 1
1 172 . 18 1 1 A 20 20 LYS CA C 20 57.834 56.086 1.748 1
1 173 . 18 1 1 A 20 20 LYS HA H 20 4.396 4.518 -0.122 1
1 174 . 18 1 1 A 20 20 LYS CB C 20 36.189 32.841 3.348 1
1 186 . 18 1 1 A 20 20 LYS C C 20 176.986 175.740 1.246 1
1 187 . 18 1 1 A 21 21 ILE N N 21 130.514 123.410 7.104 1
1 188 . 18 1 1 A 21 21 ILE H H 21 8.899 8.375 0.524 1
1 189 . 18 1 1 A 21 21 ILE CA C 21 61.347 59.543 1.804 1
1 190 . 18 1 1 A 21 21 ILE HA H 21 4.062 4.679 -0.617 1
1 191 . 18 1 1 A 21 21 ILE CB C 21 40.504 40.843 -0.339 1
1 204 . 18 1 1 A 21 21 ILE C C 21 176.050 174.682 1.368 1
1 205 . 18 1 1 A 22 22 GLU N N 22 124.786 126.516 -1.730 1
1 206 . 18 1 1 A 22 22 GLU H H 22 8.328 8.683 -0.355 1
1 207 . 18 1 1 A 22 22 GLU CA C 22 56.983 55.153 1.830 1
1 208 . 18 1 1 A 22 22 GLU HA H 22 4.439 4.976 -0.537 1
1 209 . 18 1 1 A 22 22 GLU CB C 22 32.206 31.056 1.150 1
1 215 . 18 1 1 A 22 22 GLU C C 22 176.960 174.974 1.986 1
1 216 . 18 1 1 A 23 23 ASP N N 23 128.273 124.142 4.131 1
1 217 . 18 1 1 A 23 23 ASP H H 23 8.412 8.576 -0.164 1
1 218 . 18 1 1 A 23 23 ASP CA C 23 53.796 50.806 2.990 1
1 219 . 18 1 1 A 23 23 ASP HA H 23 5.093 5.151 -0.058 1
1 220 . 18 1 1 A 23 23 ASP CB C 23 47.804 44.442 3.362 1
1 223 . 18 1 1 A 23 23 ASP C C 23 177.989 175.664 2.325 1
1 224 . 18 1 1 A 24 24 PRO CA C 24 66.947 64.138 2.809 1
1 225 . 18 1 1 A 24 24 PRO HA H 24 4.377 4.507 -0.130 1
1 226 . 18 1 1 A 24 24 PRO CB C 24 34.504 31.787 2.717 1
1 235 . 18 1 1 A 24 24 PRO C C 24 178.884 177.082 1.802 1
1 236 . 18 1 1 A 25 25 VAL N N 25 118.954 115.213 3.741 1
1 237 . 18 1 1 A 25 25 VAL H H 25 8.498 8.038 0.460 1
1 238 . 18 1 1 A 25 25 VAL CA C 25 66.276 63.743 2.533 1
1 239 . 18 1 1 A 25 25 VAL HA H 25 3.885 4.142 -0.257 1
1 240 . 18 1 1 A 25 25 VAL CB C 25 35.312 33.814 1.498 1
1 250 . 18 1 1 A 25 25 VAL C C 25 179.867 177.201 2.666 1
1 251 . 18 1 1 A 26 26 TYR N N 26 118.189 116.530 1.659 1
1 252 . 18 1 1 A 26 26 TYR H H 26 8.623 7.927 0.696 1
1 253 . 18 1 1 A 26 26 TYR CA C 26 61.321 58.233 3.088 1
1 254 . 18 1 1 A 26 26 TYR HA H 26 4.495 4.677 -0.182 1
1 255 . 18 1 1 A 26 26 TYR CB C 26 41.356 39.160 2.196 1
1 266 . 18 1 1 A 26 26 TYR C C 26 178.462 176.628 1.834 1
1 267 . 18 1 1 A 27 27 GLY N N 27 110.334 107.125 3.209 1
1 268 . 18 1 1 A 27 27 GLY H H 27 8.220 8.632 -0.412 1
1 269 . 18 1 1 A 27 27 GLY CA C 27 47.221 45.349 1.872 1
1 270 . 18 1 1 A 27 27 GLY HA2 H 27 3.910 4.185 -0.275 1
1 271 . 18 1 1 A 27 27 GLY HA3 H 27 4.389 4.234 0.155 1
1 272 . 18 1 1 A 27 27 GLY C C 27 175.432 173.753 1.679 1
1 273 . 18 1 1 A 28 28 ILE N N 28 121.398 121.667 -0.269 1
1 274 . 18 1 1 A 28 28 ILE H H 28 8.281 8.315 -0.034 1
1 275 . 18 1 1 A 28 28 ILE CA C 28 63.218 61.243 1.975 1
1 276 . 18 1 1 A 28 28 ILE HA H 28 4.885 4.857 0.028 1
1 277 . 18 1 1 A 28 28 ILE CB C 28 40.979 37.757 3.222 1
1 290 . 18 1 1 A 28 28 ILE C C 28 179.002 174.871 4.131 1
1 291 . 18 1 1 A 29 29 TYR N N 29 124.797 124.409 0.388 1
1 292 . 18 1 1 A 29 29 TYR H H 29 8.812 8.522 0.290 1
1 293 . 18 1 1 A 29 29 TYR CA C 29 58.567 54.993 3.574 1
1 294 . 18 1 1 A 29 29 TYR HA H 29 4.691 4.960 -0.269 1
1 295 . 18 1 1 A 29 29 TYR CB C 29 41.239 41.780 -0.541 1
1 306 . 18 1 1 A 29 29 TYR C C 29 173.343 173.069 0.274 1
1 307 . 18 1 1 A 30 30 TYR N N 30 117.085 122.740 -5.655 1
1 308 . 18 1 1 A 30 30 TYR H H 30 8.925 8.790 0.135 1
1 309 . 18 1 1 A 30 30 TYR CA C 30 59.179 57.708 1.471 1
1 310 . 18 1 1 A 30 30 TYR HA H 30 5.431 5.143 0.288 1
1 311 . 18 1 1 A 30 30 TYR CB C 30 43.770 40.257 3.513 1
1 322 . 18 1 1 A 30 30 TYR C C 30 177.375 175.540 1.835 1
1 323 . 18 1 1 A 31 31 VAL N N 31 121.450 122.992 -1.542 1
1 324 . 18 1 1 A 31 31 VAL H H 31 9.204 9.506 -0.302 1
1 325 . 18 1 1 A 31 31 VAL CA C 31 62.688 61.186 1.502 1
1 326 . 18 1 1 A 31 31 VAL HA H 31 4.633 4.541 0.092 1
1 327 . 18 1 1 A 31 31 VAL CB C 31 37.509 33.082 4.427 1
1 337 . 18 1 1 A 31 31 VAL C C 31 175.631 173.719 1.912 1
1 338 . 18 1 1 A 32 32 ASP N N 32 126.397 127.958 -1.561 1
1 339 . 18 1 1 A 32 32 ASP H H 32 8.361 8.074 0.287 1
1 340 . 18 1 1 A 32 32 ASP CA C 32 53.716 51.672 2.044 1
1 341 . 18 1 1 A 32 32 ASP HA H 32 3.844 4.470 -0.626 1
1 342 . 18 1 1 A 32 32 ASP CB C 32 41.631 39.694 1.937 1
1 345 . 18 1 1 A 32 32 ASP C C 32 179.908 176.390 3.518 1
1 346 . 18 1 1 A 33 33 HIS N N 33 122.272 122.397 -0.125 1
1 347 . 18 1 1 A 33 33 HIS H H 33 8.636 8.327 0.309 1
1 348 . 18 1 1 A 33 33 HIS CA C 33 60.587 57.924 2.663 1
1 349 . 18 1 1 A 33 33 HIS HA H 33 4.269 4.305 -0.036 1
1 350 . 18 1 1 A 33 33 HIS CB C 33 33.066 28.978 4.088 1
1 357 . 18 1 1 A 33 33 HIS C C 33 178.929 177.049 1.880 1
1 358 . 18 1 1 A 34 34 ILE N N 34 120.451 120.395 0.056 1
1 359 . 18 1 1 A 34 34 ILE H H 34 8.133 7.777 0.356 1
1 360 . 18 1 1 A 34 34 ILE CA C 34 65.440 64.166 1.274 1
1 361 . 18 1 1 A 34 34 ILE HA H 34 3.880 3.808 0.072 1
1 362 . 18 1 1 A 34 34 ILE CB C 34 39.306 38.099 1.207 1
1 375 . 18 1 1 A 34 34 ILE C C 34 179.561 177.728 1.833 1
1 376 . 18 1 1 A 35 35 ASN N N 35 116.293 116.767 -0.474 1
1 377 . 18 1 1 A 35 35 ASN H H 35 7.748 7.871 -0.123 1
1 378 . 18 1 1 A 35 35 ASN CA C 35 55.406 52.840 2.566 1
1 379 . 18 1 1 A 35 35 ASN HA H 35 4.623 4.740 -0.117 1
1 380 . 18 1 1 A 35 35 ASN CB C 35 41.081 38.975 2.106 1
1 386 . 18 1 1 A 35 35 ASN C C 35 176.331 174.459 1.872 1
1 387 . 18 1 1 A 36 36 ARG N N 36 118.342 116.184 2.158 1
1 388 . 18 1 1 A 36 36 ARG H H 36 7.691 7.917 -0.226 1
1 389 . 18 1 1 A 36 36 ARG CA C 36 58.927 57.003 1.924 1
1 390 . 18 1 1 A 36 36 ARG HA H 36 3.921 4.005 -0.084 1
1 391 . 18 1 1 A 36 36 ARG CB C 36 28.757 27.041 1.716 1
1 400 . 18 1 1 A 36 36 ARG C C 36 177.156 174.308 2.848 1
1 401 . 18 1 1 A 37 37 LYS N N 37 118.394 114.448 3.946 1
1 402 . 18 1 1 A 37 37 LYS H H 37 7.574 7.346 0.228 1
1 403 . 18 1 1 A 37 37 LYS CA C 37 56.975 54.615 2.360 1
1 404 . 18 1 1 A 37 37 LYS HA H 37 4.761 4.976 -0.215 1
1 405 . 18 1 1 A 37 37 LYS CB C 37 38.331 35.832 2.499 1
1 417 . 18 1 1 A 37 37 LYS C C 37 177.346 175.267 2.079 1
1 418 . 18 1 1 A 38 38 THR N N 38 114.847 114.552 0.295 1
1 419 . 18 1 1 A 38 38 THR H H 38 8.348 8.822 -0.474 1
1 420 . 18 1 1 A 38 38 THR CA C 38 63.013 60.875 2.138 1
1 421 . 18 1 1 A 38 38 THR HA H 38 5.369 5.775 -0.406 1
1 422 . 18 1 1 A 38 38 THR CB C 38 73.561 70.395 3.166 1
1 428 . 18 1 1 A 38 38 THR C C 38 176.244 174.187 2.057 1
1 429 . 18 1 1 A 39 39 GLN N N 39 118.695 122.965 -4.270 1
1 430 . 18 1 1 A 39 39 GLN H H 39 9.258 8.668 0.590 1
1 431 . 18 1 1 A 39 39 GLN CA C 39 57.417 54.591 2.826 1
1 432 . 18 1 1 A 39 39 GLN HA H 39 4.862 5.067 -0.205 1
1 433 . 18 1 1 A 39 39 GLN CB C 39 33.937 32.766 1.171 1
1 442 . 18 1 1 A 39 39 GLN C C 39 176.863 175.065 1.798 1
1 443 . 18 1 1 A 40 40 TYR N N 40 119.839 121.023 -1.184 1
1 444 . 18 1 1 A 40 40 TYR H H 40 8.969 9.054 -0.085 1
1 445 . 18 1 1 A 40 40 TYR CA C 40 62.528 59.938 2.590 1
1 446 . 18 1 1 A 40 40 TYR HA H 40 4.737 4.028 0.709 1
1 447 . 18 1 1 A 40 40 TYR CB C 40 41.283 38.545 2.738 1
1 458 . 18 1 1 A 40 40 TYR C C 40 178.553 176.069 2.484 1
1 459 . 18 1 1 A 41 41 GLU N N 41 119.641 118.903 0.738 1
1 460 . 18 1 1 A 41 41 GLU H H 41 8.136 8.144 -0.008 1
1 461 . 18 1 1 A 41 41 GLU CA C 41 58.710 56.720 1.990 1
1 462 . 18 1 1 A 41 41 GLU HA H 41 4.357 4.483 -0.126 1
1 463 . 18 1 1 A 41 41 GLU CB C 41 32.272 30.269 2.003 1
1 469 . 18 1 1 A 41 41 GLU C C 41 177.835 175.826 2.009 1
1 470 . 18 1 1 A 42 42 ASN N N 42 123.220 121.262 1.958 1
1 471 . 18 1 1 A 42 42 ASN H H 42 8.597 8.652 -0.055 1
1 472 . 18 1 1 A 42 42 ASN CA C 42 53.458 49.706 3.752 1
1 473 . 18 1 1 A 42 42 ASN HA H 42 4.351 5.323 -0.972 1
1 474 . 18 1 1 A 42 42 ASN CB C 42 40.674 39.648 1.026 1
1 480 . 18 1 1 A 42 42 ASN C C 42 177.142 174.535 2.607 1
1 481 . 18 1 1 A 43 43 PRO CA C 43 65.366 63.508 1.858 1
1 482 . 18 1 1 A 43 43 PRO HA H 43 3.966 4.412 -0.446 1
1 483 . 18 1 1 A 43 43 PRO CB C 43 33.339 31.771 1.568 1
1 488 . 18 1 1 A 43 43 PRO C C 43 178.905 176.210 2.695 1
1 489 . 18 1 1 A 44 44 SER N N 44 116.274 115.923 0.351 1
1 490 . 18 1 1 A 44 44 SER H H 44 8.245 7.380 0.865 1
1 491 . 18 1 1 A 44 44 SER CA C 44 61.072 59.614 1.458 1
1 492 . 18 1 1 A 44 44 SER HA H 44 4.268 4.100 0.168 1
1 493 . 18 1 1 A 44 44 SER CB C 44 65.891 63.357 2.534 1
1 496 . 18 1 1 A 44 44 SER C C 44 176.440 173.907 2.533 1
1 497 . 18 1 1 A 45 45 GLY N N 45 109.785 112.378 -2.593 1
1 498 . 18 1 1 A 45 45 GLY H H 45 7.793 8.429 -0.636 1
1 499 . 18 1 1 A 45 45 GLY CA C 45 46.773 44.571 2.202 1
1 500 . 18 1 1 A 45 45 GLY HA2 H 45 4.062 4.179 -0.117 1
1 501 . 18 1 1 A 45 45 GLY HA3 H 45 4.016 4.181 -0.165 1
1 502 . 18 1 1 A 45 45 GLY C C 45 173.701 174.044 -0.343 1
1 503 . 18 1 1 A 46 46 PRO CA C 46 65.308 63.778 1.530 1
1 504 . 18 1 1 A 46 46 PRO HA H 46 4.479 4.498 -0.019 1
1 505 . 18 1 1 A 46 46 PRO CB C 46 34.414 31.648 2.766 1
1 514 . 18 1 1 A 46 46 PRO C C 46 179.687 175.861 3.826 1
1 515 . 18 1 1 A 47 47 SER N N 47 116.800 114.267 2.533 1
1 516 . 18 1 1 A 47 47 SER H H 47 8.557 7.675 0.882 1
1 517 . 18 1 1 A 47 47 SER CA C 47 60.610 57.008 3.602 1
1 518 . 18 1 1 A 47 47 SER HA H 47 4.503 4.887 -0.384 1
1 519 . 18 1 1 A 47 47 SER CB C 47 66.122 64.784 1.338 1
1 522 . 18 1 1 A 47 47 SER C C 47 177.035 172.909 4.126 1
1 523 . 18 1 1 A 48 48 SER N N 48 118.250 122.257 -4.007 1
1 524 . 18 1 1 A 48 48 SER H H 48 8.402 8.778 -0.376 1
1 525 . 18 1 1 A 48 48 SER CA C 48 60.804 56.715 4.089 1
1 526 . 18 1 1 A 48 48 SER HA H 48 4.529 4.907 -0.378 1
1 527 . 18 1 1 A 48 48 SER CB C 48 66.152 65.305 0.847 1
1 530 . 18 1 1 A 48 48 SER C C 48 176.272 174.656 1.616 1
1 1 . 19 1 1 A 5 5 SER CA C 5 60.635 60.784 -0.149 1
1 2 . 19 1 1 A 5 5 SER HA H 5 4.585 4.502 0.083 1
1 3 . 19 1 1 A 5 5 SER CB C 5 66.298 63.254 3.044 1
1 6 . 19 1 1 A 5 5 SER C C 5 177.168 174.917 2.251 1
1 7 . 19 1 1 A 6 6 SER N N 6 118.338 116.288 2.050 1
1 8 . 19 1 1 A 6 6 SER H H 6 8.569 7.770 0.799 1
1 9 . 19 1 1 A 6 6 SER CA C 6 60.885 58.831 2.054 1
1 10 . 19 1 1 A 6 6 SER HA H 6 4.535 4.479 0.056 1
1 11 . 19 1 1 A 6 6 SER CB C 6 66.148 63.862 2.286 1
1 14 . 19 1 1 A 6 6 SER C C 6 177.326 173.970 3.356 1
1 15 . 19 1 1 A 7 7 GLY N N 7 111.002 113.112 -2.110 1
1 16 . 19 1 1 A 7 7 GLY H H 7 8.476 8.199 0.277 1
1 17 . 19 1 1 A 7 7 GLY CA C 7 47.617 45.762 1.855 1
1 18 . 19 1 1 A 7 7 GLY HA2 H 7 4.019 4.066 -0.047 1
1 19 . 19 1 1 A 7 7 GLY HA3 H 7 4.019 4.066 -0.047 1
1 20 . 19 1 1 A 7 7 GLY C C 7 176.492 173.265 3.227 1
1 21 . 19 1 1 A 8 8 LEU N N 8 121.799 118.867 2.932 1
1 22 . 19 1 1 A 8 8 LEU H H 8 8.193 7.765 0.428 1
1 23 . 19 1 1 A 8 8 LEU CA C 8 57.462 53.854 3.608 1
1 24 . 19 1 1 A 8 8 LEU HA H 8 4.394 5.032 -0.638 1
1 25 . 19 1 1 A 8 8 LEU CB C 8 44.690 43.715 0.975 1
1 37 . 19 1 1 A 8 8 LEU C C 8 179.755 175.027 4.728 1
1 38 . 19 1 1 A 9 9 ASP N N 9 121.308 126.788 -5.480 1
1 39 . 19 1 1 A 9 9 ASP H H 9 8.466 9.027 -0.561 1
1 40 . 19 1 1 A 9 9 ASP CA C 9 56.935 52.447 4.488 1
1 41 . 19 1 1 A 9 9 ASP HA H 9 4.606 5.212 -0.606 1
1 42 . 19 1 1 A 9 9 ASP CB C 9 43.197 43.509 -0.312 1
1 45 . 19 1 1 A 9 9 ASP C C 9 178.791 174.498 4.293 1
1 46 . 19 1 1 A 10 10 SER N N 10 115.813 117.138 -1.325 1
1 47 . 19 1 1 A 10 10 SER H H 10 8.187 8.932 -0.745 1
1 48 . 19 1 1 A 10 10 SER CA C 10 60.991 56.108 4.883 1
1 49 . 19 1 1 A 10 10 SER HA H 10 4.407 4.845 -0.438 1
1 50 . 19 1 1 A 10 10 SER CB C 10 66.161 66.591 -0.430 1
1 53 . 19 1 1 A 10 10 SER C C 10 176.964 173.839 3.125 1
1 54 . 19 1 1 A 11 11 GLU N N 11 122.677 123.856 -1.179 1
1 55 . 19 1 1 A 11 11 GLU H H 11 8.443 8.878 -0.435 1
1 56 . 19 1 1 A 11 11 GLU CA C 11 58.754 57.340 1.414 1
1 57 . 19 1 1 A 11 11 GLU HA H 11 4.316 4.039 0.277 1
1 58 . 19 1 1 A 11 11 GLU CB C 11 32.345 27.317 5.028 1
1 64 . 19 1 1 A 11 11 GLU C C 11 178.630 175.222 3.408 1
1 65 . 19 1 1 A 12 12 LEU N N 12 122.751 120.599 2.152 1
1 66 . 19 1 1 A 12 12 LEU H H 12 8.101 7.453 0.648 1
1 67 . 19 1 1 A 12 12 LEU CA C 12 57.200 53.317 3.883 1
1 68 . 19 1 1 A 12 12 LEU HA H 12 4.330 4.846 -0.516 1
1 69 . 19 1 1 A 12 12 LEU CB C 12 44.701 44.831 -0.130 1
1 82 . 19 1 1 A 12 12 LEU C C 12 179.430 175.856 3.574 1
1 83 . 19 1 1 A 13 13 GLU N N 13 122.737 120.312 2.425 1
1 84 . 19 1 1 A 13 13 GLU H H 13 8.361 8.563 -0.202 1
1 85 . 19 1 1 A 13 13 GLU CA C 13 58.512 54.498 4.014 1
1 86 . 19 1 1 A 13 13 GLU HA H 13 4.272 4.803 -0.531 1
1 87 . 19 1 1 A 13 13 GLU CB C 13 32.697 32.784 -0.087 1
1 93 . 19 1 1 A 13 13 GLU C C 13 178.439 174.853 3.586 1
1 94 . 19 1 1 A 14 14 LEU N N 14 124.926 122.487 2.439 1
1 95 . 19 1 1 A 14 14 LEU H H 14 8.476 8.715 -0.239 1
1 96 . 19 1 1 A 14 14 LEU CA C 14 54.936 51.898 3.038 1
1 97 . 19 1 1 A 14 14 LEU HA H 14 4.513 4.558 -0.045 1
1 98 . 19 1 1 A 14 14 LEU CB C 14 44.202 42.525 1.677 1
1 111 . 19 1 1 A 14 14 LEU C C 14 176.898 174.627 2.271 1
1 112 . 19 1 1 A 15 15 PRO CA C 15 64.197 62.171 2.026 1
1 113 . 19 1 1 A 15 15 PRO HA H 15 4.505 4.574 -0.069 1
1 114 . 19 1 1 A 15 15 PRO CB C 15 33.625 32.981 0.644 1
1 123 . 19 1 1 A 15 15 PRO C C 15 178.217 176.301 1.916 1
1 124 . 19 1 1 A 16 16 ALA N N 16 123.785 124.525 -0.740 1
1 125 . 19 1 1 A 16 16 ALA H H 16 8.483 8.336 0.147 1
1 126 . 19 1 1 A 16 16 ALA CA C 16 55.949 53.449 2.500 1
1 127 . 19 1 1 A 16 16 ALA HA H 16 4.250 3.983 0.267 1
1 128 . 19 1 1 A 16 16 ALA CB C 16 20.671 18.988 1.683 1
1 132 . 19 1 1 A 16 16 ALA C C 16 180.993 178.335 2.658 1
1 133 . 19 1 1 A 17 17 GLY N N 17 110.361 109.925 0.436 1
1 134 . 19 1 1 A 17 17 GLY H H 17 8.826 8.917 -0.091 1
1 135 . 19 1 1 A 17 17 GLY CA C 17 47.644 45.278 2.366 1
1 136 . 19 1 1 A 17 17 GLY HA2 H 17 3.781 4.014 -0.233 1
1 137 . 19 1 1 A 17 17 GLY HA3 H 17 4.248 4.016 0.232 1
1 138 . 19 1 1 A 17 17 GLY C C 17 175.678 174.477 1.201 1
1 139 . 19 1 1 A 18 18 TRP N N 18 118.683 120.734 -2.051 1
1 140 . 19 1 1 A 18 18 TRP H H 18 7.771 7.841 -0.070 1
1 141 . 19 1 1 A 18 18 TRP CA C 18 59.186 57.739 1.447 1
1 142 . 19 1 1 A 18 18 TRP HA H 18 5.710 4.747 0.963 1
1 143 . 19 1 1 A 18 18 TRP CB C 18 34.117 31.020 3.097 1
1 158 . 19 1 1 A 18 18 TRP C C 18 179.094 175.884 3.210 1
1 159 . 19 1 1 A 19 19 GLU N N 19 122.400 122.552 -0.152 1
1 160 . 19 1 1 A 19 19 GLU H H 19 9.431 8.507 0.924 1
1 161 . 19 1 1 A 19 19 GLU CA C 19 57.452 55.728 1.724 1
1 162 . 19 1 1 A 19 19 GLU HA H 19 4.668 4.739 -0.071 1
1 163 . 19 1 1 A 19 19 GLU CB C 19 36.636 32.766 3.870 1
1 169 . 19 1 1 A 19 19 GLU C C 19 176.242 175.165 1.077 1
1 170 . 19 1 1 A 20 20 LYS N N 20 126.826 123.605 3.221 1
1 171 . 19 1 1 A 20 20 LYS H H 20 8.839 8.282 0.557 1
1 172 . 19 1 1 A 20 20 LYS CA C 20 57.834 56.363 1.471 1
1 173 . 19 1 1 A 20 20 LYS HA H 20 4.396 4.385 0.011 1
1 174 . 19 1 1 A 20 20 LYS CB C 20 36.189 32.712 3.477 1
1 186 . 19 1 1 A 20 20 LYS C C 20 176.986 175.797 1.189 1
1 187 . 19 1 1 A 21 21 ILE N N 21 130.514 123.941 6.573 1
1 188 . 19 1 1 A 21 21 ILE H H 21 8.899 8.549 0.350 1
1 189 . 19 1 1 A 21 21 ILE CA C 21 61.347 59.781 1.566 1
1 190 . 19 1 1 A 21 21 ILE HA H 21 4.062 4.570 -0.508 1
1 191 . 19 1 1 A 21 21 ILE CB C 21 40.504 40.456 0.048 1
1 204 . 19 1 1 A 21 21 ILE C C 21 176.050 174.588 1.462 1
1 205 . 19 1 1 A 22 22 GLU N N 22 124.786 127.277 -2.491 1
1 206 . 19 1 1 A 22 22 GLU H H 22 8.328 8.642 -0.314 1
1 207 . 19 1 1 A 22 22 GLU CA C 22 56.983 55.197 1.786 1
1 208 . 19 1 1 A 22 22 GLU HA H 22 4.439 5.041 -0.602 1
1 209 . 19 1 1 A 22 22 GLU CB C 22 32.206 30.974 1.232 1
1 215 . 19 1 1 A 22 22 GLU C C 22 176.960 174.975 1.985 1
1 216 . 19 1 1 A 23 23 ASP N N 23 128.273 124.260 4.013 1
1 217 . 19 1 1 A 23 23 ASP H H 23 8.412 8.788 -0.376 1
1 218 . 19 1 1 A 23 23 ASP CA C 23 53.796 50.779 3.017 1
1 219 . 19 1 1 A 23 23 ASP HA H 23 5.093 5.154 -0.061 1
1 220 . 19 1 1 A 23 23 ASP CB C 23 47.804 44.343 3.461 1
1 223 . 19 1 1 A 23 23 ASP C C 23 177.989 175.683 2.306 1
1 224 . 19 1 1 A 24 24 PRO CA C 24 66.947 64.139 2.808 1
1 225 . 19 1 1 A 24 24 PRO HA H 24 4.377 4.529 -0.152 1
1 226 . 19 1 1 A 24 24 PRO CB C 24 34.504 31.789 2.715 1
1 235 . 19 1 1 A 24 24 PRO C C 24 178.884 177.088 1.796 1
1 236 . 19 1 1 A 25 25 VAL N N 25 118.954 115.508 3.446 1
1 237 . 19 1 1 A 25 25 VAL H H 25 8.498 8.522 -0.024 1
1 238 . 19 1 1 A 25 25 VAL CA C 25 66.276 63.781 2.495 1
1 239 . 19 1 1 A 25 25 VAL HA H 25 3.885 4.064 -0.179 1
1 240 . 19 1 1 A 25 25 VAL CB C 25 35.312 33.490 1.822 1
1 250 . 19 1 1 A 25 25 VAL C C 25 179.867 177.074 2.793 1
1 251 . 19 1 1 A 26 26 TYR N N 26 118.189 116.694 1.495 1
1 252 . 19 1 1 A 26 26 TYR H H 26 8.623 7.993 0.630 1
1 253 . 19 1 1 A 26 26 TYR CA C 26 61.321 58.430 2.891 1
1 254 . 19 1 1 A 26 26 TYR HA H 26 4.495 4.643 -0.148 1
1 255 . 19 1 1 A 26 26 TYR CB C 26 41.356 39.290 2.066 1
1 266 . 19 1 1 A 26 26 TYR C C 26 178.462 176.663 1.799 1
1 267 . 19 1 1 A 27 27 GLY N N 27 110.334 106.828 3.506 1
1 268 . 19 1 1 A 27 27 GLY H H 27 8.220 8.541 -0.321 1
1 269 . 19 1 1 A 27 27 GLY CA C 27 47.221 45.405 1.816 1
1 270 . 19 1 1 A 27 27 GLY HA2 H 27 3.910 4.199 -0.289 1
1 271 . 19 1 1 A 27 27 GLY HA3 H 27 4.389 4.259 0.130 1
1 272 . 19 1 1 A 27 27 GLY C C 27 175.432 173.721 1.711 1
1 273 . 19 1 1 A 28 28 ILE N N 28 121.398 122.401 -1.003 1
1 274 . 19 1 1 A 28 28 ILE H H 28 8.281 8.373 -0.092 1
1 275 . 19 1 1 A 28 28 ILE CA C 28 63.218 60.637 2.581 1
1 276 . 19 1 1 A 28 28 ILE HA H 28 4.885 5.012 -0.127 1
1 277 . 19 1 1 A 28 28 ILE CB C 28 40.979 38.606 2.373 1
1 290 . 19 1 1 A 28 28 ILE C C 28 179.002 174.275 4.727 1
1 291 . 19 1 1 A 29 29 TYR N N 29 124.797 124.247 0.550 1
1 292 . 19 1 1 A 29 29 TYR H H 29 8.812 8.502 0.310 1
1 293 . 19 1 1 A 29 29 TYR CA C 29 58.567 54.824 3.743 1
1 294 . 19 1 1 A 29 29 TYR HA H 29 4.691 4.762 -0.071 1
1 295 . 19 1 1 A 29 29 TYR CB C 29 41.239 41.658 -0.419 1
1 306 . 19 1 1 A 29 29 TYR C C 29 173.343 172.800 0.543 1
1 307 . 19 1 1 A 30 30 TYR N N 30 117.085 122.589 -5.504 1
1 308 . 19 1 1 A 30 30 TYR H H 30 8.925 8.347 0.578 1
1 309 . 19 1 1 A 30 30 TYR CA C 30 59.179 57.764 1.415 1
1 310 . 19 1 1 A 30 30 TYR HA H 30 5.431 4.963 0.468 1
1 311 . 19 1 1 A 30 30 TYR CB C 30 43.770 39.999 3.771 1
1 322 . 19 1 1 A 30 30 TYR C C 30 177.375 175.169 2.206 1
1 323 . 19 1 1 A 31 31 VAL N N 31 121.450 123.556 -2.106 1
1 324 . 19 1 1 A 31 31 VAL H H 31 9.204 9.216 -0.012 1
1 325 . 19 1 1 A 31 31 VAL CA C 31 62.688 61.317 1.371 1
1 326 . 19 1 1 A 31 31 VAL HA H 31 4.633 4.522 0.111 1
1 327 . 19 1 1 A 31 31 VAL CB C 31 37.509 32.857 4.652 1
1 337 . 19 1 1 A 31 31 VAL C C 31 175.631 173.668 1.963 1
1 338 . 19 1 1 A 32 32 ASP N N 32 126.397 128.101 -1.704 1
1 339 . 19 1 1 A 32 32 ASP H H 32 8.361 8.190 0.171 1
1 340 . 19 1 1 A 32 32 ASP CA C 32 53.716 51.836 1.880 1
1 341 . 19 1 1 A 32 32 ASP HA H 32 3.844 4.408 -0.564 1
1 342 . 19 1 1 A 32 32 ASP CB C 32 41.631 39.787 1.844 1
1 345 . 19 1 1 A 32 32 ASP C C 32 179.908 176.320 3.588 1
1 346 . 19 1 1 A 33 33 HIS N N 33 122.272 122.641 -0.369 1
1 347 . 19 1 1 A 33 33 HIS H H 33 8.636 8.015 0.621 1
1 348 . 19 1 1 A 33 33 HIS CA C 33 60.587 57.777 2.810 1
1 349 . 19 1 1 A 33 33 HIS HA H 33 4.269 4.218 0.051 1
1 350 . 19 1 1 A 33 33 HIS CB C 33 33.066 29.081 3.985 1
1 357 . 19 1 1 A 33 33 HIS C C 33 178.929 177.369 1.560 1
1 358 . 19 1 1 A 34 34 ILE N N 34 120.451 120.836 -0.385 1
1 359 . 19 1 1 A 34 34 ILE H H 34 8.133 7.982 0.151 1
1 360 . 19 1 1 A 34 34 ILE CA C 34 65.440 64.542 0.898 1
1 361 . 19 1 1 A 34 34 ILE HA H 34 3.880 3.742 0.138 1
1 362 . 19 1 1 A 34 34 ILE CB C 34 39.306 37.761 1.545 1
1 375 . 19 1 1 A 34 34 ILE C C 34 179.561 178.002 1.559 1
1 376 . 19 1 1 A 35 35 ASN N N 35 116.293 117.423 -1.130 1
1 377 . 19 1 1 A 35 35 ASN H H 35 7.748 7.980 -0.232 1
1 378 . 19 1 1 A 35 35 ASN CA C 35 55.406 53.010 2.396 1
1 379 . 19 1 1 A 35 35 ASN HA H 35 4.623 4.717 -0.094 1
1 380 . 19 1 1 A 35 35 ASN CB C 35 41.081 38.822 2.259 1
1 386 . 19 1 1 A 35 35 ASN C C 35 176.331 174.517 1.814 1
1 387 . 19 1 1 A 36 36 ARG N N 36 118.342 116.292 2.050 1
1 388 . 19 1 1 A 36 36 ARG H H 36 7.691 7.899 -0.208 1
1 389 . 19 1 1 A 36 36 ARG CA C 36 58.927 57.004 1.923 1
1 390 . 19 1 1 A 36 36 ARG HA H 36 3.921 4.123 -0.202 1
1 391 . 19 1 1 A 36 36 ARG CB C 36 28.757 26.945 1.812 1
1 400 . 19 1 1 A 36 36 ARG C C 36 177.156 174.315 2.841 1
1 401 . 19 1 1 A 37 37 LYS N N 37 118.394 114.637 3.757 1
1 402 . 19 1 1 A 37 37 LYS H H 37 7.574 7.385 0.189 1
1 403 . 19 1 1 A 37 37 LYS CA C 37 56.975 54.471 2.504 1
1 404 . 19 1 1 A 37 37 LYS HA H 37 4.761 4.991 -0.230 1
1 405 . 19 1 1 A 37 37 LYS CB C 37 38.331 35.386 2.945 1
1 417 . 19 1 1 A 37 37 LYS C C 37 177.346 175.190 2.156 1
1 418 . 19 1 1 A 38 38 THR N N 38 114.847 114.333 0.514 1
1 419 . 19 1 1 A 38 38 THR H H 38 8.348 8.770 -0.422 1
1 420 . 19 1 1 A 38 38 THR CA C 38 63.013 60.899 2.114 1
1 421 . 19 1 1 A 38 38 THR HA H 38 5.369 5.754 -0.385 1
1 422 . 19 1 1 A 38 38 THR CB C 38 73.561 70.498 3.063 1
1 428 . 19 1 1 A 38 38 THR C C 38 176.244 173.909 2.335 1
1 429 . 19 1 1 A 39 39 GLN N N 39 118.695 123.723 -5.028 1
1 430 . 19 1 1 A 39 39 GLN H H 39 9.258 8.638 0.620 1
1 431 . 19 1 1 A 39 39 GLN CA C 39 57.417 54.543 2.874 1
1 432 . 19 1 1 A 39 39 GLN HA H 39 4.862 5.054 -0.192 1
1 433 . 19 1 1 A 39 39 GLN CB C 39 33.937 32.627 1.310 1
1 442 . 19 1 1 A 39 39 GLN C C 39 176.863 175.057 1.806 1
1 443 . 19 1 1 A 40 40 TYR N N 40 119.839 121.071 -1.232 1
1 444 . 19 1 1 A 40 40 TYR H H 40 8.969 9.106 -0.137 1
1 445 . 19 1 1 A 40 40 TYR CA C 40 62.528 59.893 2.635 1
1 446 . 19 1 1 A 40 40 TYR HA H 40 4.737 4.037 0.700 1
1 447 . 19 1 1 A 40 40 TYR CB C 40 41.283 38.532 2.751 1
1 458 . 19 1 1 A 40 40 TYR C C 40 178.553 176.183 2.370 1
1 459 . 19 1 1 A 41 41 GLU N N 41 119.641 118.632 1.009 1
1 460 . 19 1 1 A 41 41 GLU H H 41 8.136 8.124 0.012 1
1 461 . 19 1 1 A 41 41 GLU CA C 41 58.710 56.792 1.918 1
1 462 . 19 1 1 A 41 41 GLU HA H 41 4.357 4.455 -0.098 1
1 463 . 19 1 1 A 41 41 GLU CB C 41 32.272 30.676 1.596 1
1 469 . 19 1 1 A 41 41 GLU C C 41 177.835 175.665 2.170 1
1 470 . 19 1 1 A 42 42 ASN N N 42 123.220 120.672 2.548 1
1 471 . 19 1 1 A 42 42 ASN H H 42 8.597 8.685 -0.088 1
1 472 . 19 1 1 A 42 42 ASN CA C 42 53.458 49.703 3.755 1
1 473 . 19 1 1 A 42 42 ASN HA H 42 4.351 5.397 -1.046 1
1 474 . 19 1 1 A 42 42 ASN CB C 42 40.674 39.790 0.884 1
1 480 . 19 1 1 A 42 42 ASN C C 42 177.142 174.470 2.672 1
1 481 . 19 1 1 A 43 43 PRO CA C 43 65.366 63.982 1.384 1
1 482 . 19 1 1 A 43 43 PRO HA H 43 3.966 4.277 -0.311 1
1 483 . 19 1 1 A 43 43 PRO CB C 43 33.339 31.722 1.617 1
1 488 . 19 1 1 A 43 43 PRO C C 43 178.905 176.930 1.975 1
1 489 . 19 1 1 A 44 44 SER N N 44 116.274 112.656 3.618 1
1 490 . 19 1 1 A 44 44 SER H H 44 8.245 8.096 0.149 1
1 491 . 19 1 1 A 44 44 SER CA C 44 61.072 61.461 -0.389 1
1 492 . 19 1 1 A 44 44 SER HA H 44 4.268 4.064 0.204 1
1 493 . 19 1 1 A 44 44 SER CB C 44 65.891 62.615 3.276 1
1 496 . 19 1 1 A 44 44 SER C C 44 176.440 176.015 0.425 1
1 497 . 19 1 1 A 45 45 GLY N N 45 109.785 109.575 0.210 1
1 498 . 19 1 1 A 45 45 GLY H H 45 7.793 8.014 -0.221 1
1 499 . 19 1 1 A 45 45 GLY CA C 45 46.773 44.660 2.113 1
1 500 . 19 1 1 A 45 45 GLY HA2 H 45 4.062 4.031 0.031 1
1 501 . 19 1 1 A 45 45 GLY HA3 H 45 4.016 4.035 -0.019 1
1 502 . 19 1 1 A 45 45 GLY C C 45 173.701 172.937 0.764 1
1 503 . 19 1 1 A 46 46 PRO CA C 46 65.308 63.297 2.011 1
1 504 . 19 1 1 A 46 46 PRO HA H 46 4.479 4.234 0.245 1
1 505 . 19 1 1 A 46 46 PRO CB C 46 34.414 32.282 2.132 1
1 514 . 19 1 1 A 46 46 PRO C C 46 179.687 176.705 2.982 1
1 515 . 19 1 1 A 47 47 SER N N 47 116.800 112.671 4.129 1
1 516 . 19 1 1 A 47 47 SER H H 47 8.557 8.594 -0.037 1
1 517 . 19 1 1 A 47 47 SER CA C 47 60.610 59.119 1.491 1
1 518 . 19 1 1 A 47 47 SER HA H 47 4.503 4.049 0.454 1
1 519 . 19 1 1 A 47 47 SER CB C 47 66.122 61.694 4.428 1
1 522 . 19 1 1 A 47 47 SER C C 47 177.035 174.412 2.623 1
1 523 . 19 1 1 A 48 48 SER N N 48 118.250 115.362 2.888 1
1 524 . 19 1 1 A 48 48 SER H H 48 8.402 7.900 0.502 1
1 525 . 19 1 1 A 48 48 SER CA C 48 60.804 61.669 -0.865 1
1 526 . 19 1 1 A 48 48 SER HA H 48 4.529 4.141 0.388 1
1 527 . 19 1 1 A 48 48 SER CB C 48 66.152 63.096 3.056 1
1 530 . 19 1 1 A 48 48 SER C C 48 176.272 177.062 -0.790 1
1 1 . 20 1 1 A 5 5 SER CA C 5 60.635 56.865 3.770 1
1 2 . 20 1 1 A 5 5 SER HA H 5 4.585 5.467 -0.882 1
1 3 . 20 1 1 A 5 5 SER CB C 5 66.298 64.961 1.337 1
1 6 . 20 1 1 A 5 5 SER C C 5 177.168 173.542 3.626 1
1 7 . 20 1 1 A 6 6 SER N N 6 118.338 119.021 -0.683 1
1 8 . 20 1 1 A 6 6 SER H H 6 8.569 8.728 -0.159 1
1 9 . 20 1 1 A 6 6 SER CA C 6 60.885 57.326 3.559 1
1 10 . 20 1 1 A 6 6 SER HA H 6 4.535 5.064 -0.529 1
1 11 . 20 1 1 A 6 6 SER CB C 6 66.148 67.375 -1.227 1
1 14 . 20 1 1 A 6 6 SER C C 6 177.326 174.244 3.082 1
1 15 . 20 1 1 A 7 7 GLY N N 7 111.002 112.503 -1.501 1
1 16 . 20 1 1 A 7 7 GLY H H 7 8.476 8.578 -0.102 1
1 17 . 20 1 1 A 7 7 GLY CA C 7 47.617 46.713 0.904 1
1 18 . 20 1 1 A 7 7 GLY HA2 H 7 4.019 4.011 0.008 1
1 19 . 20 1 1 A 7 7 GLY HA3 H 7 4.019 4.034 -0.015 1
1 20 . 20 1 1 A 7 7 GLY C C 7 176.492 175.262 1.230 1
1 21 . 20 1 1 A 8 8 LEU N N 8 121.799 117.761 4.038 1
1 22 . 20 1 1 A 8 8 LEU H H 8 8.193 8.026 0.167 1
1 23 . 20 1 1 A 8 8 LEU CA C 8 57.462 57.193 0.269 1
1 24 . 20 1 1 A 8 8 LEU HA H 8 4.394 4.134 0.260 1
1 25 . 20 1 1 A 8 8 LEU CB C 8 44.690 42.121 2.569 1
1 37 . 20 1 1 A 8 8 LEU C C 8 179.755 177.098 2.657 1
1 38 . 20 1 1 A 9 9 ASP N N 9 121.308 118.407 2.901 1
1 39 . 20 1 1 A 9 9 ASP H H 9 8.466 8.138 0.328 1
1 40 . 20 1 1 A 9 9 ASP CA C 9 56.935 53.877 3.058 1
1 41 . 20 1 1 A 9 9 ASP HA H 9 4.606 4.753 -0.147 1
1 42 . 20 1 1 A 9 9 ASP CB C 9 43.197 41.918 1.279 1
1 45 . 20 1 1 A 9 9 ASP C C 9 178.791 176.685 2.106 1
1 46 . 20 1 1 A 10 10 SER N N 10 115.813 115.469 0.344 1
1 47 . 20 1 1 A 10 10 SER H H 10 8.187 8.661 -0.474 1
1 48 . 20 1 1 A 10 10 SER CA C 10 60.991 58.372 2.619 1
1 49 . 20 1 1 A 10 10 SER HA H 10 4.407 4.713 -0.306 1
1 50 . 20 1 1 A 10 10 SER CB C 10 66.161 63.764 2.397 1
1 53 . 20 1 1 A 10 10 SER C C 10 176.964 174.895 2.069 1
1 54 . 20 1 1 A 11 11 GLU N N 11 122.677 119.041 3.636 1
1 55 . 20 1 1 A 11 11 GLU H H 11 8.443 8.436 0.007 1
1 56 . 20 1 1 A 11 11 GLU CA C 11 58.754 55.675 3.079 1
1 57 . 20 1 1 A 11 11 GLU HA H 11 4.316 4.487 -0.171 1
1 58 . 20 1 1 A 11 11 GLU CB C 11 32.345 29.985 2.360 1
1 64 . 20 1 1 A 11 11 GLU C C 11 178.630 175.787 2.843 1
1 65 . 20 1 1 A 12 12 LEU N N 12 122.751 122.303 0.448 1
1 66 . 20 1 1 A 12 12 LEU H H 12 8.101 7.481 0.620 1
1 67 . 20 1 1 A 12 12 LEU CA C 12 57.200 53.097 4.103 1
1 68 . 20 1 1 A 12 12 LEU HA H 12 4.330 4.741 -0.411 1
1 69 . 20 1 1 A 12 12 LEU CB C 12 44.701 44.300 0.401 1
1 82 . 20 1 1 A 12 12 LEU C C 12 179.430 176.378 3.052 1
1 83 . 20 1 1 A 13 13 GLU N N 13 122.737 121.678 1.059 1
1 84 . 20 1 1 A 13 13 GLU H H 13 8.361 8.501 -0.140 1
1 85 . 20 1 1 A 13 13 GLU CA C 13 58.512 55.828 2.684 1
1 86 . 20 1 1 A 13 13 GLU HA H 13 4.272 4.473 -0.201 1
1 87 . 20 1 1 A 13 13 GLU CB C 13 32.697 31.156 1.541 1
1 93 . 20 1 1 A 13 13 GLU C C 13 178.439 176.185 2.254 1
1 94 . 20 1 1 A 14 14 LEU N N 14 124.926 122.126 2.800 1
1 95 . 20 1 1 A 14 14 LEU H H 14 8.476 8.406 0.070 1
1 96 . 20 1 1 A 14 14 LEU CA C 14 54.936 52.220 2.716 1
1 97 . 20 1 1 A 14 14 LEU HA H 14 4.513 4.551 -0.038 1
1 98 . 20 1 1 A 14 14 LEU CB C 14 44.202 41.595 2.607 1
1 111 . 20 1 1 A 14 14 LEU C C 14 176.898 174.677 2.221 1
1 112 . 20 1 1 A 15 15 PRO CA C 15 64.197 62.199 1.998 1
1 113 . 20 1 1 A 15 15 PRO HA H 15 4.505 4.584 -0.079 1
1 114 . 20 1 1 A 15 15 PRO CB C 15 33.625 32.848 0.777 1
1 123 . 20 1 1 A 15 15 PRO C C 15 178.217 176.362 1.855 1
1 124 . 20 1 1 A 16 16 ALA N N 16 123.785 124.529 -0.744 1
1 125 . 20 1 1 A 16 16 ALA H H 16 8.483 8.340 0.143 1
1 126 . 20 1 1 A 16 16 ALA CA C 16 55.949 53.587 2.362 1
1 127 . 20 1 1 A 16 16 ALA HA H 16 4.250 3.979 0.271 1
1 128 . 20 1 1 A 16 16 ALA CB C 16 20.671 18.826 1.845 1
1 132 . 20 1 1 A 16 16 ALA C C 16 180.993 178.321 2.672 1
1 133 . 20 1 1 A 17 17 GLY N N 17 110.361 110.032 0.329 1
1 134 . 20 1 1 A 17 17 GLY H H 17 8.826 8.978 -0.152 1
1 135 . 20 1 1 A 17 17 GLY CA C 17 47.644 45.345 2.299 1
1 136 . 20 1 1 A 17 17 GLY HA2 H 17 3.781 3.997 -0.216 1
1 137 . 20 1 1 A 17 17 GLY HA3 H 17 4.248 4.032 0.216 1
1 138 . 20 1 1 A 17 17 GLY C C 17 175.678 174.478 1.200 1
1 139 . 20 1 1 A 18 18 TRP N N 18 118.683 120.747 -2.064 1
1 140 . 20 1 1 A 18 18 TRP H H 18 7.771 7.790 -0.019 1
1 141 . 20 1 1 A 18 18 TRP CA C 18 59.186 58.338 0.848 1
1 142 . 20 1 1 A 18 18 TRP HA H 18 5.710 4.597 1.113 1
1 143 . 20 1 1 A 18 18 TRP CB C 18 34.117 29.744 4.373 1
1 158 . 20 1 1 A 18 18 TRP C C 18 179.094 175.988 3.106 1
1 159 . 20 1 1 A 19 19 GLU N N 19 122.400 124.298 -1.898 1
1 160 . 20 1 1 A 19 19 GLU H H 19 9.431 9.030 0.401 1
1 161 . 20 1 1 A 19 19 GLU CA C 19 57.452 54.821 2.631 1
1 162 . 20 1 1 A 19 19 GLU HA H 19 4.668 5.034 -0.366 1
1 163 . 20 1 1 A 19 19 GLU CB C 19 36.636 32.989 3.647 1
1 169 . 20 1 1 A 19 19 GLU C C 19 176.242 175.365 0.877 1
1 170 . 20 1 1 A 20 20 LYS N N 20 126.826 124.757 2.069 1
1 171 . 20 1 1 A 20 20 LYS H H 20 8.839 8.541 0.298 1
1 172 . 20 1 1 A 20 20 LYS CA C 20 57.834 56.235 1.599 1
1 173 . 20 1 1 A 20 20 LYS HA H 20 4.396 4.427 -0.031 1
1 174 . 20 1 1 A 20 20 LYS CB C 20 36.189 32.999 3.190 1
1 186 . 20 1 1 A 20 20 LYS C C 20 176.986 175.925 1.061 1
1 187 . 20 1 1 A 21 21 ILE N N 21 130.514 122.951 7.563 1
1 188 . 20 1 1 A 21 21 ILE H H 21 8.899 8.222 0.677 1
1 189 . 20 1 1 A 21 21 ILE CA C 21 61.347 59.583 1.764 1
1 190 . 20 1 1 A 21 21 ILE HA H 21 4.062 4.705 -0.643 1
1 191 . 20 1 1 A 21 21 ILE CB C 21 40.504 41.373 -0.869 1
1 204 . 20 1 1 A 21 21 ILE C C 21 176.050 174.583 1.467 1
1 205 . 20 1 1 A 22 22 GLU N N 22 124.786 126.192 -1.406 1
1 206 . 20 1 1 A 22 22 GLU H H 22 8.328 8.694 -0.366 1
1 207 . 20 1 1 A 22 22 GLU CA C 22 56.983 55.172 1.811 1
1 208 . 20 1 1 A 22 22 GLU HA H 22 4.439 5.083 -0.644 1
1 209 . 20 1 1 A 22 22 GLU CB C 22 32.206 30.938 1.268 1
1 215 . 20 1 1 A 22 22 GLU C C 22 176.960 174.931 2.029 1
1 216 . 20 1 1 A 23 23 ASP N N 23 128.273 124.256 4.017 1
1 217 . 20 1 1 A 23 23 ASP H H 23 8.412 8.938 -0.526 1
1 218 . 20 1 1 A 23 23 ASP CA C 23 53.796 50.833 2.963 1
1 219 . 20 1 1 A 23 23 ASP HA H 23 5.093 5.193 -0.100 1
1 220 . 20 1 1 A 23 23 ASP CB C 23 47.804 44.492 3.312 1
1 223 . 20 1 1 A 23 23 ASP C C 23 177.989 175.668 2.321 1
1 224 . 20 1 1 A 24 24 PRO CA C 24 66.947 64.190 2.757 1
1 225 . 20 1 1 A 24 24 PRO HA H 24 4.377 4.507 -0.130 1
1 226 . 20 1 1 A 24 24 PRO CB C 24 34.504 31.859 2.645 1
1 235 . 20 1 1 A 24 24 PRO C C 24 178.884 177.095 1.789 1
1 236 . 20 1 1 A 25 25 VAL N N 25 118.954 115.891 3.063 1
1 237 . 20 1 1 A 25 25 VAL H H 25 8.498 8.002 0.496 1
1 238 . 20 1 1 A 25 25 VAL CA C 25 66.276 63.834 2.442 1
1 239 . 20 1 1 A 25 25 VAL HA H 25 3.885 4.066 -0.181 1
1 240 . 20 1 1 A 25 25 VAL CB C 25 35.312 33.343 1.969 1
1 250 . 20 1 1 A 25 25 VAL C C 25 179.867 177.078 2.789 1
1 251 . 20 1 1 A 26 26 TYR N N 26 118.189 116.629 1.560 1
1 252 . 20 1 1 A 26 26 TYR H H 26 8.623 7.932 0.691 1
1 253 . 20 1 1 A 26 26 TYR CA C 26 61.321 58.431 2.890 1
1 254 . 20 1 1 A 26 26 TYR HA H 26 4.495 4.666 -0.171 1
1 255 . 20 1 1 A 26 26 TYR CB C 26 41.356 39.278 2.078 1
1 266 . 20 1 1 A 26 26 TYR C C 26 178.462 176.644 1.818 1
1 267 . 20 1 1 A 27 27 GLY N N 27 110.334 106.819 3.515 1
1 268 . 20 1 1 A 27 27 GLY H H 27 8.220 8.554 -0.334 1
1 269 . 20 1 1 A 27 27 GLY CA C 27 47.221 45.550 1.671 1
1 270 . 20 1 1 A 27 27 GLY HA2 H 27 3.910 4.186 -0.276 1
1 271 . 20 1 1 A 27 27 GLY HA3 H 27 4.389 4.243 0.146 1
1 272 . 20 1 1 A 27 27 GLY C C 27 175.432 173.494 1.938 1
1 273 . 20 1 1 A 28 28 ILE N N 28 121.398 122.750 -1.352 1
1 274 . 20 1 1 A 28 28 ILE H H 28 8.281 8.350 -0.069 1
1 275 . 20 1 1 A 28 28 ILE CA C 28 63.218 60.507 2.711 1
1 276 . 20 1 1 A 28 28 ILE HA H 28 4.885 5.127 -0.242 1
1 277 . 20 1 1 A 28 28 ILE CB C 28 40.979 38.987 1.992 1
1 290 . 20 1 1 A 28 28 ILE C C 28 179.002 174.428 4.574 1
1 291 . 20 1 1 A 29 29 TYR N N 29 124.797 124.116 0.681 1
1 292 . 20 1 1 A 29 29 TYR H H 29 8.812 8.538 0.274 1
1 293 . 20 1 1 A 29 29 TYR CA C 29 58.567 54.852 3.715 1
1 294 . 20 1 1 A 29 29 TYR HA H 29 4.691 5.026 -0.335 1
1 295 . 20 1 1 A 29 29 TYR CB C 29 41.239 41.513 -0.274 1
1 306 . 20 1 1 A 29 29 TYR C C 29 173.343 172.949 0.394 1
1 307 . 20 1 1 A 30 30 TYR N N 30 117.085 122.641 -5.556 1
1 308 . 20 1 1 A 30 30 TYR H H 30 8.925 8.583 0.342 1
1 309 . 20 1 1 A 30 30 TYR CA C 30 59.179 57.715 1.464 1
1 310 . 20 1 1 A 30 30 TYR HA H 30 5.431 4.956 0.475 1
1 311 . 20 1 1 A 30 30 TYR CB C 30 43.770 39.897 3.873 1
1 322 . 20 1 1 A 30 30 TYR C C 30 177.375 175.108 2.267 1
1 323 . 20 1 1 A 31 31 VAL N N 31 121.450 124.113 -2.663 1
1 324 . 20 1 1 A 31 31 VAL H H 31 9.204 9.549 -0.345 1
1 325 . 20 1 1 A 31 31 VAL CA C 31 62.688 61.558 1.130 1
1 326 . 20 1 1 A 31 31 VAL HA H 31 4.633 4.493 0.140 1
1 327 . 20 1 1 A 31 31 VAL CB C 31 37.509 32.865 4.644 1
1 337 . 20 1 1 A 31 31 VAL C C 31 175.631 174.397 1.234 1
1 338 . 20 1 1 A 32 32 ASP N N 32 126.397 127.401 -1.004 1
1 339 . 20 1 1 A 32 32 ASP H H 32 8.361 8.560 -0.199 1
1 340 . 20 1 1 A 32 32 ASP CA C 32 53.716 53.997 -0.281 1
1 341 . 20 1 1 A 32 32 ASP HA H 32 3.844 4.439 -0.595 1
1 342 . 20 1 1 A 32 32 ASP CB C 32 41.631 40.739 0.892 1
1 345 . 20 1 1 A 32 32 ASP C C 32 179.908 175.879 4.029 1
1 346 . 20 1 1 A 33 33 HIS N N 33 122.272 121.629 0.643 1
1 347 . 20 1 1 A 33 33 HIS H H 33 8.636 8.347 0.289 1
1 348 . 20 1 1 A 33 33 HIS CA C 33 60.587 57.854 2.733 1
1 349 . 20 1 1 A 33 33 HIS HA H 33 4.269 4.474 -0.205 1
1 350 . 20 1 1 A 33 33 HIS CB C 33 33.066 29.593 3.473 1
1 357 . 20 1 1 A 33 33 HIS C C 33 178.929 176.210 2.719 1
1 358 . 20 1 1 A 34 34 ILE N N 34 120.451 119.746 0.705 1
1 359 . 20 1 1 A 34 34 ILE H H 34 8.133 7.545 0.588 1
1 360 . 20 1 1 A 34 34 ILE CA C 34 65.440 63.288 2.152 1
1 361 . 20 1 1 A 34 34 ILE HA H 34 3.880 3.898 -0.018 1
1 362 . 20 1 1 A 34 34 ILE CB C 34 39.306 38.584 0.722 1
1 375 . 20 1 1 A 34 34 ILE C C 34 179.561 177.392 2.169 1
1 376 . 20 1 1 A 35 35 ASN N N 35 116.293 116.662 -0.369 1
1 377 . 20 1 1 A 35 35 ASN H H 35 7.748 7.880 -0.132 1
1 378 . 20 1 1 A 35 35 ASN CA C 35 55.406 52.624 2.782 1
1 379 . 20 1 1 A 35 35 ASN HA H 35 4.623 4.756 -0.133 1
1 380 . 20 1 1 A 35 35 ASN CB C 35 41.081 39.069 2.012 1
1 386 . 20 1 1 A 35 35 ASN C C 35 176.331 174.432 1.899 1
1 387 . 20 1 1 A 36 36 ARG N N 36 118.342 116.399 1.943 1
1 388 . 20 1 1 A 36 36 ARG H H 36 7.691 7.466 0.225 1
1 389 . 20 1 1 A 36 36 ARG CA C 36 58.927 57.036 1.891 1
1 390 . 20 1 1 A 36 36 ARG HA H 36 3.921 4.157 -0.236 1
1 391 . 20 1 1 A 36 36 ARG CB C 36 28.757 26.925 1.832 1
1 400 . 20 1 1 A 36 36 ARG C C 36 177.156 174.286 2.870 1
1 401 . 20 1 1 A 37 37 LYS N N 37 118.394 114.951 3.443 1
1 402 . 20 1 1 A 37 37 LYS H H 37 7.574 7.497 0.077 1
1 403 . 20 1 1 A 37 37 LYS CA C 37 56.975 54.481 2.494 1
1 404 . 20 1 1 A 37 37 LYS HA H 37 4.761 5.001 -0.240 1
1 405 . 20 1 1 A 37 37 LYS CB C 37 38.331 35.318 3.013 1
1 417 . 20 1 1 A 37 37 LYS C C 37 177.346 175.319 2.027 1
1 418 . 20 1 1 A 38 38 THR N N 38 114.847 115.195 -0.348 1
1 419 . 20 1 1 A 38 38 THR H H 38 8.348 8.817 -0.469 1
1 420 . 20 1 1 A 38 38 THR CA C 38 63.013 60.687 2.326 1
1 421 . 20 1 1 A 38 38 THR HA H 38 5.369 5.627 -0.258 1
1 422 . 20 1 1 A 38 38 THR CB C 38 73.561 70.600 2.961 1
1 428 . 20 1 1 A 38 38 THR C C 38 176.244 173.968 2.276 1
1 429 . 20 1 1 A 39 39 GLN N N 39 118.695 124.058 -5.363 1
1 430 . 20 1 1 A 39 39 GLN H H 39 9.258 8.607 0.651 1
1 431 . 20 1 1 A 39 39 GLN CA C 39 57.417 54.546 2.871 1
1 432 . 20 1 1 A 39 39 GLN HA H 39 4.862 5.082 -0.220 1
1 433 . 20 1 1 A 39 39 GLN CB C 39 33.937 32.863 1.074 1
1 442 . 20 1 1 A 39 39 GLN C C 39 176.863 175.103 1.760 1
1 443 . 20 1 1 A 40 40 TYR N N 40 119.839 120.716 -0.877 1
1 444 . 20 1 1 A 40 40 TYR H H 40 8.969 9.100 -0.131 1
1 445 . 20 1 1 A 40 40 TYR CA C 40 62.528 60.100 2.428 1
1 446 . 20 1 1 A 40 40 TYR HA H 40 4.737 4.242 0.495 1
1 447 . 20 1 1 A 40 40 TYR CB C 40 41.283 38.607 2.676 1
1 458 . 20 1 1 A 40 40 TYR C C 40 178.553 176.179 2.374 1
1 459 . 20 1 1 A 41 41 GLU N N 41 119.641 118.743 0.898 1
1 460 . 20 1 1 A 41 41 GLU H H 41 8.136 8.130 0.006 1
1 461 . 20 1 1 A 41 41 GLU CA C 41 58.710 56.666 2.044 1
1 462 . 20 1 1 A 41 41 GLU HA H 41 4.357 4.442 -0.085 1
1 463 . 20 1 1 A 41 41 GLU CB C 41 32.272 30.866 1.406 1
1 469 . 20 1 1 A 41 41 GLU C C 41 177.835 175.672 2.163 1
1 470 . 20 1 1 A 42 42 ASN N N 42 123.220 120.691 2.529 1
1 471 . 20 1 1 A 42 42 ASN H H 42 8.597 8.649 -0.052 1
1 472 . 20 1 1 A 42 42 ASN CA C 42 53.458 49.781 3.677 1
1 473 . 20 1 1 A 42 42 ASN HA H 42 4.351 5.515 -1.164 1
1 474 . 20 1 1 A 42 42 ASN CB C 42 40.674 39.933 0.741 1
1 480 . 20 1 1 A 42 42 ASN C C 42 177.142 174.273 2.869 1
1 481 . 20 1 1 A 43 43 PRO CA C 43 65.366 63.533 1.833 1
1 482 . 20 1 1 A 43 43 PRO HA H 43 3.966 4.525 -0.559 1
1 483 . 20 1 1 A 43 43 PRO CB C 43 33.339 31.560 1.779 1
1 488 . 20 1 1 A 43 43 PRO C C 43 178.905 176.242 2.663 1
1 489 . 20 1 1 A 44 44 SER N N 44 116.274 115.966 0.308 1
1 490 . 20 1 1 A 44 44 SER H H 44 8.245 7.289 0.956 1
1 491 . 20 1 1 A 44 44 SER CA C 44 61.072 59.348 1.724 1
1 492 . 20 1 1 A 44 44 SER HA H 44 4.268 4.118 0.150 1
1 493 . 20 1 1 A 44 44 SER CB C 44 65.891 63.475 2.416 1
1 496 . 20 1 1 A 44 44 SER C C 44 176.440 173.844 2.596 1
1 497 . 20 1 1 A 45 45 GLY N N 45 109.785 112.215 -2.430 1
1 498 . 20 1 1 A 45 45 GLY H H 45 7.793 8.285 -0.492 1
1 499 . 20 1 1 A 45 45 GLY CA C 45 46.773 45.073 1.700 1
1 500 . 20 1 1 A 45 45 GLY HA2 H 45 4.062 4.187 -0.125 1
1 501 . 20 1 1 A 45 45 GLY HA3 H 45 4.016 4.189 -0.173 1
1 502 . 20 1 1 A 45 45 GLY C C 45 173.701 174.081 -0.380 1
1 503 . 20 1 1 A 46 46 PRO CA C 46 65.308 63.819 1.489 1
1 504 . 20 1 1 A 46 46 PRO HA H 46 4.479 4.454 0.025 1
1 505 . 20 1 1 A 46 46 PRO CB C 46 34.414 31.367 3.047 1
1 514 . 20 1 1 A 46 46 PRO C C 46 179.687 176.325 3.362 1
1 515 . 20 1 1 A 47 47 SER N N 47 116.800 116.093 0.707 1
1 516 . 20 1 1 A 47 47 SER H H 47 8.557 8.087 0.470 1
1 517 . 20 1 1 A 47 47 SER CA C 47 60.610 57.700 2.910 1
1 518 . 20 1 1 A 47 47 SER HA H 47 4.503 4.960 -0.457 1
1 519 . 20 1 1 A 47 47 SER CB C 47 66.122 63.622 2.500 1
1 522 . 20 1 1 A 47 47 SER C C 47 177.035 173.297 3.738 1
1 523 . 20 1 1 A 48 48 SER N N 48 118.250 123.496 -5.246 1
1 524 . 20 1 1 A 48 48 SER H H 48 8.402 8.971 -0.569 1
1 525 . 20 1 1 A 48 48 SER CA C 48 60.804 57.379 3.425 1
1 526 . 20 1 1 A 48 48 SER HA H 48 4.529 5.370 -0.841 1
1 527 . 20 1 1 A 48 48 SER CB C 48 66.152 65.071 1.081 1
1 530 . 20 1 1 A 48 48 SER C C 48 176.272 174.481 1.791 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 44 2.515 1
2 1 1 1 "RMS(OBS, PRED)" CA 44 2.621 1
3 1 1 1 "RMS(OBS, PRED)" CB 40 2.416 1
4 1 1 1 "RMS(OBS, PRED)" H 39 0.430 1
5 1 1 1 "RMS(OBS, PRED)" HA 48 0.397 1
6 1 1 1 "RMS(OBS, PRED)" N 39 3.029 1
7 1 2 1 "RMS(OBS, PRED)" C 44 2.459 1
8 1 2 1 "RMS(OBS, PRED)" CA 44 2.549 1
9 1 2 1 "RMS(OBS, PRED)" CB 40 2.626 1
10 1 2 1 "RMS(OBS, PRED)" H 39 0.416 1
11 1 2 1 "RMS(OBS, PRED)" HA 48 0.363 1
12 1 2 1 "RMS(OBS, PRED)" N 39 3.003 1
13 1 3 1 "RMS(OBS, PRED)" C 44 2.380 1
14 1 3 1 "RMS(OBS, PRED)" CA 44 2.405 1
15 1 3 1 "RMS(OBS, PRED)" CB 40 2.758 1
16 1 3 1 "RMS(OBS, PRED)" H 39 0.430 1
17 1 3 1 "RMS(OBS, PRED)" HA 48 0.342 1
18 1 3 1 "RMS(OBS, PRED)" N 39 2.866 1
19 1 4 1 "RMS(OBS, PRED)" C 44 2.578 1
20 1 4 1 "RMS(OBS, PRED)" CA 44 2.535 1
21 1 4 1 "RMS(OBS, PRED)" CB 40 2.559 1
22 1 4 1 "RMS(OBS, PRED)" H 39 0.480 1
23 1 4 1 "RMS(OBS, PRED)" HA 48 0.400 1
24 1 4 1 "RMS(OBS, PRED)" N 39 2.940 1
25 1 5 1 "RMS(OBS, PRED)" C 44 2.540 1
26 1 5 1 "RMS(OBS, PRED)" CA 44 2.573 1
27 1 5 1 "RMS(OBS, PRED)" CB 40 2.416 1
28 1 5 1 "RMS(OBS, PRED)" H 39 0.440 1
29 1 5 1 "RMS(OBS, PRED)" HA 48 0.385 1
30 1 5 1 "RMS(OBS, PRED)" N 39 3.182 1
31 1 6 1 "RMS(OBS, PRED)" C 44 2.449 1
32 1 6 1 "RMS(OBS, PRED)" CA 44 2.519 1
33 1 6 1 "RMS(OBS, PRED)" CB 40 2.486 1
34 1 6 1 "RMS(OBS, PRED)" H 39 0.420 1
35 1 6 1 "RMS(OBS, PRED)" HA 48 0.378 1
36 1 6 1 "RMS(OBS, PRED)" N 39 2.788 1
37 1 7 1 "RMS(OBS, PRED)" C 44 2.482 1
38 1 7 1 "RMS(OBS, PRED)" CA 44 2.488 1
39 1 7 1 "RMS(OBS, PRED)" CB 40 2.511 1
40 1 7 1 "RMS(OBS, PRED)" H 39 0.449 1
41 1 7 1 "RMS(OBS, PRED)" HA 48 0.364 1
42 1 7 1 "RMS(OBS, PRED)" N 39 3.120 1
43 1 8 1 "RMS(OBS, PRED)" C 44 2.519 1
44 1 8 1 "RMS(OBS, PRED)" CA 44 2.504 1
45 1 8 1 "RMS(OBS, PRED)" CB 40 2.652 1
46 1 8 1 "RMS(OBS, PRED)" H 39 0.445 1
47 1 8 1 "RMS(OBS, PRED)" HA 48 0.385 1
48 1 8 1 "RMS(OBS, PRED)" N 39 2.984 1
49 1 9 1 "RMS(OBS, PRED)" C 44 2.353 1
50 1 9 1 "RMS(OBS, PRED)" CA 44 2.353 1
51 1 9 1 "RMS(OBS, PRED)" CB 40 2.582 1
52 1 9 1 "RMS(OBS, PRED)" H 39 0.437 1
53 1 9 1 "RMS(OBS, PRED)" HA 48 0.361 1
54 1 9 1 "RMS(OBS, PRED)" N 39 2.855 1
55 1 10 1 "RMS(OBS, PRED)" C 44 2.480 1
56 1 10 1 "RMS(OBS, PRED)" CA 44 2.397 1
57 1 10 1 "RMS(OBS, PRED)" CB 40 2.596 1
58 1 10 1 "RMS(OBS, PRED)" H 39 0.417 1
59 1 10 1 "RMS(OBS, PRED)" HA 48 0.404 1
60 1 10 1 "RMS(OBS, PRED)" N 39 2.811 1
61 1 11 1 "RMS(OBS, PRED)" C 44 2.548 1
62 1 11 1 "RMS(OBS, PRED)" CA 44 2.515 1
63 1 11 1 "RMS(OBS, PRED)" CB 40 2.565 1
64 1 11 1 "RMS(OBS, PRED)" H 39 0.442 1
65 1 11 1 "RMS(OBS, PRED)" HA 48 0.377 1
66 1 11 1 "RMS(OBS, PRED)" N 39 3.112 1
67 1 12 1 "RMS(OBS, PRED)" C 44 2.445 1
68 1 12 1 "RMS(OBS, PRED)" CA 44 2.407 1
69 1 12 1 "RMS(OBS, PRED)" CB 40 2.529 1
70 1 12 1 "RMS(OBS, PRED)" H 39 0.435 1
71 1 12 1 "RMS(OBS, PRED)" HA 48 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 39 2.750 1
73 1 13 1 "RMS(OBS, PRED)" C 44 2.398 1
74 1 13 1 "RMS(OBS, PRED)" CA 44 2.519 1
75 1 13 1 "RMS(OBS, PRED)" CB 40 2.485 1
76 1 13 1 "RMS(OBS, PRED)" H 39 0.420 1
77 1 13 1 "RMS(OBS, PRED)" HA 48 0.368 1
78 1 13 1 "RMS(OBS, PRED)" N 39 3.077 1
79 1 14 1 "RMS(OBS, PRED)" C 44 2.506 1
80 1 14 1 "RMS(OBS, PRED)" CA 44 2.533 1
81 1 14 1 "RMS(OBS, PRED)" CB 40 2.532 1
82 1 14 1 "RMS(OBS, PRED)" H 39 0.408 1
83 1 14 1 "RMS(OBS, PRED)" HA 48 0.349 1
84 1 14 1 "RMS(OBS, PRED)" N 39 2.850 1
85 1 15 1 "RMS(OBS, PRED)" C 44 2.464 1
86 1 15 1 "RMS(OBS, PRED)" CA 44 2.468 1
87 1 15 1 "RMS(OBS, PRED)" CB 40 2.527 1
88 1 15 1 "RMS(OBS, PRED)" H 39 0.394 1
89 1 15 1 "RMS(OBS, PRED)" HA 48 0.373 1
90 1 15 1 "RMS(OBS, PRED)" N 39 2.796 1
91 1 16 1 "RMS(OBS, PRED)" C 44 2.449 1
92 1 16 1 "RMS(OBS, PRED)" CA 44 2.511 1
93 1 16 1 "RMS(OBS, PRED)" CB 40 2.553 1
94 1 16 1 "RMS(OBS, PRED)" H 39 0.387 1
95 1 16 1 "RMS(OBS, PRED)" HA 48 0.352 1
96 1 16 1 "RMS(OBS, PRED)" N 39 2.681 1
97 1 17 1 "RMS(OBS, PRED)" C 44 2.378 1
98 1 17 1 "RMS(OBS, PRED)" CA 44 2.552 1
99 1 17 1 "RMS(OBS, PRED)" CB 40 2.558 1
100 1 17 1 "RMS(OBS, PRED)" H 39 0.404 1
101 1 17 1 "RMS(OBS, PRED)" HA 48 0.382 1
102 1 17 1 "RMS(OBS, PRED)" N 39 3.050 1
103 1 18 1 "RMS(OBS, PRED)" C 44 2.363 1
104 1 18 1 "RMS(OBS, PRED)" CA 44 2.569 1
105 1 18 1 "RMS(OBS, PRED)" CB 40 2.466 1
106 1 18 1 "RMS(OBS, PRED)" H 39 0.423 1
107 1 18 1 "RMS(OBS, PRED)" HA 48 0.329 1
108 1 18 1 "RMS(OBS, PRED)" N 39 2.974 1
109 1 19 1 "RMS(OBS, PRED)" C 44 2.578 1
110 1 19 1 "RMS(OBS, PRED)" CA 44 2.526 1
111 1 19 1 "RMS(OBS, PRED)" CB 40 2.589 1
112 1 19 1 "RMS(OBS, PRED)" H 39 0.412 1
113 1 19 1 "RMS(OBS, PRED)" HA 48 0.373 1
114 1 19 1 "RMS(OBS, PRED)" N 39 2.838 1
115 1 20 1 "RMS(OBS, PRED)" C 44 2.468 1
116 1 20 1 "RMS(OBS, PRED)" CA 44 2.520 1
117 1 20 1 "RMS(OBS, PRED)" CB 40 2.392 1
118 1 20 1 "RMS(OBS, PRED)" H 39 0.398 1
119 1 20 1 "RMS(OBS, PRED)" HA 48 0.413 1
120 1 20 1 "RMS(OBS, PRED)" N 39 2.767 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 5 5 SER CA C 5 60.635 59.166 1.469 2
1 2 . 1 1 A 5 5 SER HA H 5 4.585 4.674 -0.089 2
1 3 . 1 1 A 5 5 SER CB C 5 66.298 64.124 2.174 2
1 6 . 1 1 A 5 5 SER C C 5 177.168 174.276 2.892 2
1 7 . 1 1 A 6 6 SER N N 6 118.338 117.779 0.559 2
1 8 . 1 1 A 6 6 SER H H 6 8.569 8.385 0.184 2
1 9 . 1 1 A 6 6 SER CA C 6 60.885 58.773 2.112 2
1 10 . 1 1 A 6 6 SER HA H 6 4.535 4.576 -0.041 2
1 11 . 1 1 A 6 6 SER CB C 6 66.148 64.181 1.967 2
1 14 . 1 1 A 6 6 SER C C 6 177.326 174.419 2.907 2
1 15 . 1 1 A 7 7 GLY N N 7 111.002 109.949 1.053 2
1 16 . 1 1 A 7 7 GLY H H 7 8.476 8.329 0.147 2
1 17 . 1 1 A 7 7 GLY CA C 7 47.617 45.942 1.675 2
1 18 . 1 1 A 7 7 GLY HA2 H 7 4.019 4.020 -0.001 2
1 19 . 1 1 A 7 7 GLY HA3 H 7 4.019 4.024 -0.005 2
1 20 . 1 1 A 7 7 GLY C C 7 176.492 173.826 2.666 2
1 21 . 1 1 A 8 8 LEU N N 8 121.799 122.013 -0.214 2
1 22 . 1 1 A 8 8 LEU H H 8 8.193 8.394 -0.201 2
1 23 . 1 1 A 8 8 LEU CA C 8 57.462 55.368 2.094 2
1 24 . 1 1 A 8 8 LEU HA H 8 4.394 4.489 -0.095 2
1 25 . 1 1 A 8 8 LEU CB C 8 44.690 42.888 1.802 2
1 37 . 1 1 A 8 8 LEU C C 8 179.755 176.150 3.605 2
1 38 . 1 1 A 9 9 ASP N N 9 121.308 121.341 -0.033 2
1 39 . 1 1 A 9 9 ASP H H 9 8.466 8.554 -0.088 2
1 40 . 1 1 A 9 9 ASP CA C 9 56.935 53.506 3.429 2
1 41 . 1 1 A 9 9 ASP HA H 9 4.606 4.917 -0.310 2
1 42 . 1 1 A 9 9 ASP CB C 9 43.197 41.846 1.351 2
1 45 . 1 1 A 9 9 ASP C C 9 178.791 175.997 2.794 2
1 46 . 1 1 A 10 10 SER N N 10 115.813 117.907 -2.094 2
1 47 . 1 1 A 10 10 SER H H 10 8.187 8.614 -0.427 2
1 48 . 1 1 A 10 10 SER CA C 10 60.991 58.408 2.583 2
1 49 . 1 1 A 10 10 SER HA H 10 4.407 4.630 -0.223 2
1 50 . 1 1 A 10 10 SER CB C 10 66.161 63.582 2.579 2
1 53 . 1 1 A 10 10 SER C C 10 176.964 174.783 2.181 2
1 54 . 1 1 A 11 11 GLU N N 11 122.677 117.813 4.864 2
1 55 . 1 1 A 11 11 GLU H H 11 8.443 8.439 0.004 2
1 56 . 1 1 A 11 11 GLU CA C 11 58.754 55.885 2.869 2
1 57 . 1 1 A 11 11 GLU HA H 11 4.316 4.401 -0.085 2
1 58 . 1 1 A 11 11 GLU CB C 11 32.345 29.584 2.761 2
1 64 . 1 1 A 11 11 GLU C C 11 178.630 175.800 2.830 2
1 65 . 1 1 A 12 12 LEU N N 12 122.751 122.011 0.740 2
1 66 . 1 1 A 12 12 LEU H H 12 8.101 7.438 0.663 2
1 67 . 1 1 A 12 12 LEU CA C 12 57.200 53.307 3.893 2
1 68 . 1 1 A 12 12 LEU HA H 12 4.330 4.764 -0.434 2
1 69 . 1 1 A 12 12 LEU CB C 12 44.701 44.700 0.001 2
1 82 . 1 1 A 12 12 LEU C C 12 179.430 176.037 3.393 2
1 83 . 1 1 A 13 13 GLU N N 13 122.737 121.101 1.636 2
1 84 . 1 1 A 13 13 GLU H H 13 8.361 8.515 -0.154 2
1 85 . 1 1 A 13 13 GLU CA C 13 58.512 55.213 3.299 2
1 86 . 1 1 A 13 13 GLU HA H 13 4.272 4.579 -0.307 2
1 87 . 1 1 A 13 13 GLU CB C 13 32.697 31.618 1.079 2
1 93 . 1 1 A 13 13 GLU C C 13 178.439 176.100 2.339 2
1 94 . 1 1 A 14 14 LEU N N 14 124.926 122.244 2.682 2
1 95 . 1 1 A 14 14 LEU H H 14 8.476 8.458 0.018 2
1 96 . 1 1 A 14 14 LEU CA C 14 54.936 52.437 2.499 2
1 97 . 1 1 A 14 14 LEU HA H 14 4.513 4.560 -0.047 2
1 98 . 1 1 A 14 14 LEU CB C 14 44.202 41.425 2.777 2
1 111 . 1 1 A 14 14 LEU C C 14 176.898 174.707 2.191 2
1 112 . 1 1 A 15 15 PRO CA C 15 64.197 62.191 2.006 2
1 113 . 1 1 A 15 15 PRO HA H 15 4.505 4.580 -0.075 2
1 114 . 1 1 A 15 15 PRO CB C 15 33.625 32.884 0.741 2
1 123 . 1 1 A 15 15 PRO C C 15 178.217 176.339 1.878 2
1 124 . 1 1 A 16 16 ALA N N 16 123.785 124.477 -0.692 2
1 125 . 1 1 A 16 16 ALA H H 16 8.483 8.336 0.147 2
1 126 . 1 1 A 16 16 ALA CA C 16 55.949 53.557 2.392 2
1 127 . 1 1 A 16 16 ALA HA H 16 4.250 3.984 0.266 2
1 128 . 1 1 A 16 16 ALA CB C 16 20.671 18.881 1.790 2
1 132 . 1 1 A 16 16 ALA C C 16 180.993 178.322 2.671 2
1 133 . 1 1 A 17 17 GLY N N 17 110.361 109.951 0.410 2
1 134 . 1 1 A 17 17 GLY H H 17 8.826 8.968 -0.142 2
1 135 . 1 1 A 17 17 GLY CA C 17 47.644 45.287 2.357 2
1 136 . 1 1 A 17 17 GLY HA2 H 17 3.781 4.015 -0.234 2
1 137 . 1 1 A 17 17 GLY HA3 H 17 4.248 4.027 0.221 2
1 138 . 1 1 A 17 17 GLY C C 17 175.678 174.456 1.222 2
1 139 . 1 1 A 18 18 TRP N N 18 118.683 120.710 -2.027 2
1 140 . 1 1 A 18 18 TRP H H 18 7.771 7.801 -0.030 2
1 141 . 1 1 A 18 18 TRP CA C 18 59.186 57.925 1.261 2
1 142 . 1 1 A 18 18 TRP HA H 18 5.710 4.723 0.988 2
1 143 . 1 1 A 18 18 TRP CB C 18 34.117 30.689 3.429 2
1 158 . 1 1 A 18 18 TRP C C 18 179.094 175.867 3.227 2
1 159 . 1 1 A 19 19 GLU N N 19 122.400 122.727 -0.327 2
1 160 . 1 1 A 19 19 GLU H H 19 9.431 8.722 0.709 2
1 161 . 1 1 A 19 19 GLU CA C 19 57.452 55.541 1.911 2
1 162 . 1 1 A 19 19 GLU HA H 19 4.668 4.818 -0.150 2
1 163 . 1 1 A 19 19 GLU CB C 19 36.636 32.928 3.708 2
1 169 . 1 1 A 19 19 GLU C C 19 176.242 175.207 1.035 2
1 170 . 1 1 A 20 20 LYS N N 20 126.826 123.861 2.965 2
1 171 . 1 1 A 20 20 LYS H H 20 8.839 8.416 0.423 2
1 172 . 1 1 A 20 20 LYS CA C 20 57.834 56.347 1.487 2
1 173 . 1 1 A 20 20 LYS HA H 20 4.396 4.375 0.021 2
1 174 . 1 1 A 20 20 LYS CB C 20 36.189 32.829 3.360 2
1 186 . 1 1 A 20 20 LYS C C 20 176.986 175.818 1.168 2
1 187 . 1 1 A 21 21 ILE N N 21 130.514 123.026 7.488 2
1 188 . 1 1 A 21 21 ILE H H 21 8.899 8.392 0.507 2
1 189 . 1 1 A 21 21 ILE CA C 21 61.347 59.676 1.671 2
1 190 . 1 1 A 21 21 ILE HA H 21 4.062 4.658 -0.596 2
1 191 . 1 1 A 21 21 ILE CB C 21 40.504 40.908 -0.405 2
1 204 . 1 1 A 21 21 ILE C C 21 176.050 174.658 1.392 2
1 205 . 1 1 A 22 22 GLU N N 22 124.786 126.799 -2.013 2
1 206 . 1 1 A 22 22 GLU H H 22 8.328 8.686 -0.358 2
1 207 . 1 1 A 22 22 GLU CA C 22 56.983 55.171 1.812 2
1 208 . 1 1 A 22 22 GLU HA H 22 4.439 5.032 -0.593 2
1 209 . 1 1 A 22 22 GLU CB C 22 32.206 30.984 1.222 2
1 215 . 1 1 A 22 22 GLU C C 22 176.960 174.957 2.003 2
1 216 . 1 1 A 23 23 ASP N N 23 128.273 124.326 3.947 2
1 217 . 1 1 A 23 23 ASP H H 23 8.412 8.773 -0.361 2
1 218 . 1 1 A 23 23 ASP CA C 23 53.796 50.807 2.989 2
1 219 . 1 1 A 23 23 ASP HA H 23 5.093 5.176 -0.083 2
1 220 . 1 1 A 23 23 ASP CB C 23 47.804 44.429 3.375 2
1 223 . 1 1 A 23 23 ASP C C 23 177.989 175.664 2.325 2
1 224 . 1 1 A 24 24 PRO CA C 24 66.947 64.153 2.794 2
1 225 . 1 1 A 24 24 PRO HA H 24 4.377 4.524 -0.147 2
1 226 . 1 1 A 24 24 PRO CB C 24 34.504 31.799 2.705 2
1 235 . 1 1 A 24 24 PRO C C 24 178.884 177.064 1.820 2
1 236 . 1 1 A 25 25 VAL N N 25 118.954 115.544 3.410 2
1 237 . 1 1 A 25 25 VAL H H 25 8.498 8.306 0.192 2
1 238 . 1 1 A 25 25 VAL CA C 25 66.276 63.775 2.501 2
1 239 . 1 1 A 25 25 VAL HA H 25 3.885 4.101 -0.216 2
1 240 . 1 1 A 25 25 VAL CB C 25 35.312 33.548 1.764 2
1 250 . 1 1 A 25 25 VAL C C 25 179.867 177.130 2.737 2
1 251 . 1 1 A 26 26 TYR N N 26 118.189 116.632 1.557 2
1 252 . 1 1 A 26 26 TYR H H 26 8.623 7.940 0.683 2
1 253 . 1 1 A 26 26 TYR CA C 26 61.321 58.403 2.918 2
1 254 . 1 1 A 26 26 TYR HA H 26 4.495 4.651 -0.156 2
1 255 . 1 1 A 26 26 TYR CB C 26 41.356 39.228 2.127 2
1 266 . 1 1 A 26 26 TYR C C 26 178.462 176.656 1.806 2
1 267 . 1 1 A 27 27 GLY N N 27 110.334 106.725 3.609 2
1 268 . 1 1 A 27 27 GLY H H 27 8.220 8.529 -0.309 2
1 269 . 1 1 A 27 27 GLY CA C 27 47.221 45.457 1.764 2
1 270 . 1 1 A 27 27 GLY HA2 H 27 3.910 4.194 -0.284 2
1 271 . 1 1 A 27 27 GLY HA3 H 27 4.389 4.246 0.143 2
1 272 . 1 1 A 27 27 GLY C C 27 175.432 173.670 1.762 2
1 273 . 1 1 A 28 28 ILE N N 28 121.398 122.407 -1.009 2
1 274 . 1 1 A 28 28 ILE H H 28 8.281 8.344 -0.063 2
1 275 . 1 1 A 28 28 ILE CA C 28 63.218 60.691 2.527 2
1 276 . 1 1 A 28 28 ILE HA H 28 4.885 4.994 -0.109 2
1 277 . 1 1 A 28 28 ILE CB C 28 40.979 38.576 2.403 2
1 290 . 1 1 A 28 28 ILE C C 28 179.002 174.444 4.558 2
1 291 . 1 1 A 29 29 TYR N N 29 124.797 124.189 0.608 2
1 292 . 1 1 A 29 29 TYR H H 29 8.812 8.523 0.289 2
1 293 . 1 1 A 29 29 TYR CA C 29 58.567 54.914 3.653 2
1 294 . 1 1 A 29 29 TYR HA H 29 4.691 4.894 -0.203 2
1 295 . 1 1 A 29 29 TYR CB C 29 41.239 41.651 -0.412 2
1 306 . 1 1 A 29 29 TYR C C 29 173.343 172.811 0.532 2
1 307 . 1 1 A 30 30 TYR N N 30 117.085 122.574 -5.489 2
1 308 . 1 1 A 30 30 TYR H H 30 8.925 8.478 0.447 2
1 309 . 1 1 A 30 30 TYR CA C 30 59.179 57.797 1.382 2
1 310 . 1 1 A 30 30 TYR HA H 30 5.431 4.977 0.454 2
1 311 . 1 1 A 30 30 TYR CB C 30 43.770 39.952 3.818 2
1 322 . 1 1 A 30 30 TYR C C 30 177.375 175.283 2.092 2
1 323 . 1 1 A 31 31 VAL N N 31 121.450 123.532 -2.082 2
1 324 . 1 1 A 31 31 VAL H H 31 9.204 9.368 -0.164 2
1 325 . 1 1 A 31 31 VAL CA C 31 62.688 61.263 1.425 2
1 326 . 1 1 A 31 31 VAL HA H 31 4.633 4.551 0.082 2
1 327 . 1 1 A 31 31 VAL CB C 31 37.509 32.913 4.596 2
1 337 . 1 1 A 31 31 VAL C C 31 175.631 173.789 1.842 2
1 338 . 1 1 A 32 32 ASP N N 32 126.397 128.006 -1.609 2
1 339 . 1 1 A 32 32 ASP H H 32 8.361 8.311 0.050 2
1 340 . 1 1 A 32 32 ASP CA C 32 53.716 52.130 1.586 2
1 341 . 1 1 A 32 32 ASP HA H 32 3.844 4.514 -0.670 2
1 342 . 1 1 A 32 32 ASP CB C 32 41.631 39.946 1.685 2
1 345 . 1 1 A 32 32 ASP C C 32 179.908 176.319 3.589 2
1 346 . 1 1 A 33 33 HIS N N 33 122.272 122.442 -0.170 2
1 347 . 1 1 A 33 33 HIS H H 33 8.636 8.133 0.503 2
1 348 . 1 1 A 33 33 HIS CA C 33 60.587 57.607 2.980 2
1 349 . 1 1 A 33 33 HIS HA H 33 4.269 4.286 -0.017 2
1 350 . 1 1 A 33 33 HIS CB C 33 33.066 29.027 4.039 2
1 357 . 1 1 A 33 33 HIS C C 33 178.929 177.024 1.905 2
1 358 . 1 1 A 34 34 ILE N N 34 120.451 120.491 -0.040 2
1 359 . 1 1 A 34 34 ILE H H 34 8.133 7.807 0.326 2
1 360 . 1 1 A 34 34 ILE CA C 34 65.440 64.076 1.364 2
1 361 . 1 1 A 34 34 ILE HA H 34 3.880 3.789 0.090 2
1 362 . 1 1 A 34 34 ILE CB C 34 39.306 37.939 1.367 2
1 375 . 1 1 A 34 34 ILE C C 34 179.561 177.778 1.783 2
1 376 . 1 1 A 35 35 ASN N N 35 116.293 117.151 -0.858 2
1 377 . 1 1 A 35 35 ASN H H 35 7.748 7.885 -0.137 2
1 378 . 1 1 A 35 35 ASN CA C 35 55.406 52.923 2.483 2
1 379 . 1 1 A 35 35 ASN HA H 35 4.623 4.731 -0.108 2
1 380 . 1 1 A 35 35 ASN CB C 35 41.081 38.816 2.265 2
1 386 . 1 1 A 35 35 ASN C C 35 176.331 174.461 1.870 2
1 387 . 1 1 A 36 36 ARG N N 36 118.342 116.305 2.037 2
1 388 . 1 1 A 36 36 ARG H H 36 7.691 7.909 -0.218 2
1 389 . 1 1 A 36 36 ARG CA C 36 58.927 57.005 1.921 2
1 390 . 1 1 A 36 36 ARG HA H 36 3.921 4.103 -0.182 2
1 391 . 1 1 A 36 36 ARG CB C 36 28.757 26.967 1.790 2
1 400 . 1 1 A 36 36 ARG C C 36 177.156 174.325 2.831 2
1 401 . 1 1 A 37 37 LYS N N 37 118.394 114.792 3.602 2
1 402 . 1 1 A 37 37 LYS H H 37 7.574 7.372 0.202 2
1 403 . 1 1 A 37 37 LYS CA C 37 56.975 54.458 2.517 2
1 404 . 1 1 A 37 37 LYS HA H 37 4.761 4.980 -0.219 2
1 405 . 1 1 A 37 37 LYS CB C 37 38.331 35.416 2.915 2
1 417 . 1 1 A 37 37 LYS C C 37 177.346 175.221 2.125 2
1 418 . 1 1 A 38 38 THR N N 38 114.847 114.414 0.433 2
1 419 . 1 1 A 38 38 THR H H 38 8.348 8.809 -0.461 2
1 420 . 1 1 A 38 38 THR CA C 38 63.013 60.837 2.175 2
1 421 . 1 1 A 38 38 THR HA H 38 5.369 5.730 -0.361 2
1 422 . 1 1 A 38 38 THR CB C 38 73.561 70.551 3.010 2
1 428 . 1 1 A 38 38 THR C C 38 176.244 173.986 2.258 2
1 429 . 1 1 A 39 39 GLN N N 39 118.695 123.598 -4.903 2
1 430 . 1 1 A 39 39 GLN H H 39 9.258 8.630 0.628 2
1 431 . 1 1 A 39 39 GLN CA C 39 57.417 54.546 2.871 2
1 432 . 1 1 A 39 39 GLN HA H 39 4.862 5.055 -0.193 2
1 433 . 1 1 A 39 39 GLN CB C 39 33.937 32.704 1.233 2
1 442 . 1 1 A 39 39 GLN C C 39 176.863 175.057 1.806 2
1 443 . 1 1 A 40 40 TYR N N 40 119.839 121.046 -1.207 2
1 444 . 1 1 A 40 40 TYR H H 40 8.969 9.095 -0.126 2
1 445 . 1 1 A 40 40 TYR CA C 40 62.528 59.944 2.584 2
1 446 . 1 1 A 40 40 TYR HA H 40 4.737 4.089 0.648 2
1 447 . 1 1 A 40 40 TYR CB C 40 41.283 38.530 2.753 2
1 458 . 1 1 A 40 40 TYR C C 40 178.553 176.113 2.440 2
1 459 . 1 1 A 41 41 GLU N N 41 119.641 118.776 0.865 2
1 460 . 1 1 A 41 41 GLU H H 41 8.136 8.125 0.011 2
1 461 . 1 1 A 41 41 GLU CA C 41 58.710 56.736 1.974 2
1 462 . 1 1 A 41 41 GLU HA H 41 4.357 4.481 -0.124 2
1 463 . 1 1 A 41 41 GLU CB C 41 32.272 30.585 1.687 2
1 469 . 1 1 A 41 41 GLU C C 41 177.835 175.684 2.151 2
1 470 . 1 1 A 42 42 ASN N N 42 123.220 120.831 2.389 2
1 471 . 1 1 A 42 42 ASN H H 42 8.597 8.686 -0.089 2
1 472 . 1 1 A 42 42 ASN CA C 42 53.458 49.771 3.687 2
1 473 . 1 1 A 42 42 ASN HA H 42 4.351 5.427 -1.076 2
1 474 . 1 1 A 42 42 ASN CB C 42 40.674 39.806 0.868 2
1 480 . 1 1 A 42 42 ASN C C 42 177.142 174.454 2.688 2
1 481 . 1 1 A 43 43 PRO CA C 43 65.366 63.581 1.785 2
1 482 . 1 1 A 43 43 PRO HA H 43 3.966 4.436 -0.470 2
1 483 . 1 1 A 43 43 PRO CB C 43 33.339 31.723 1.616 2
1 488 . 1 1 A 43 43 PRO C C 43 178.905 176.397 2.508 2
1 489 . 1 1 A 44 44 SER N N 44 116.274 114.642 1.632 2
1 490 . 1 1 A 44 44 SER H H 44 8.245 7.438 0.807 2
1 491 . 1 1 A 44 44 SER CA C 44 61.072 59.612 1.460 2
1 492 . 1 1 A 44 44 SER HA H 44 4.268 4.141 0.127 2
1 493 . 1 1 A 44 44 SER CB C 44 65.891 63.422 2.469 2
1 496 . 1 1 A 44 44 SER C C 44 176.440 174.405 2.035 2
1 497 . 1 1 A 45 45 GLY N N 45 109.785 110.678 -0.893 2
1 498 . 1 1 A 45 45 GLY H H 45 7.793 8.393 -0.600 2
1 499 . 1 1 A 45 45 GLY CA C 45 46.773 44.526 2.247 2
1 500 . 1 1 A 45 45 GLY HA2 H 45 4.062 4.122 -0.060 2
1 501 . 1 1 A 45 45 GLY HA3 H 45 4.016 4.125 -0.109 2
1 502 . 1 1 A 45 45 GLY C C 45 173.701 173.153 0.548 2
1 503 . 1 1 A 46 46 PRO CA C 46 65.308 63.265 2.043 2
1 504 . 1 1 A 46 46 PRO HA H 46 4.479 4.513 -0.034 2
1 505 . 1 1 A 46 46 PRO CB C 46 34.414 31.615 2.799 2
1 514 . 1 1 A 46 46 PRO C C 46 179.687 176.703 2.984 2
1 515 . 1 1 A 47 47 SER N N 47 116.800 115.521 1.279 2
1 516 . 1 1 A 47 47 SER H H 47 8.557 8.298 0.259 2
1 517 . 1 1 A 47 47 SER CA C 47 60.610 59.012 1.598 2
1 518 . 1 1 A 47 47 SER HA H 47 4.503 4.504 -0.001 2
1 519 . 1 1 A 47 47 SER CB C 47 66.122 63.533 2.589 2
1 522 . 1 1 A 47 47 SER C C 47 177.035 174.300 2.735 2
1 523 . 1 1 A 48 48 SER N N 48 118.250 117.370 0.880 2
1 524 . 1 1 A 48 48 SER H H 48 8.402 8.371 0.031 2
1 525 . 1 1 A 48 48 SER CA C 48 60.804 58.938 1.866 2
1 526 . 1 1 A 48 48 SER HA H 48 4.529 4.596 -0.067 2
1 527 . 1 1 A 48 48 SER CB C 48 66.152 64.101 2.051 2
1 530 . 1 1 A 48 48 SER C C 48 176.272 174.682 1.590 2
stop_
save_