data_16121_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16121
_Entry.PDB_ID 2JOY
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H 2 4.279 4.514 -0.235 1
1 8 . 1 1 1 A 2 2 PRO CA C 2 61.757 63.098 -1.341 1
1 9 . 1 1 1 A 2 2 PRO CB C 2 32.181 31.652 0.529 1
1 12 . 1 1 1 A 3 3 ALA H H 3 8.418 8.427 -0.009 1
1 13 . 1 1 1 A 3 3 ALA HA H 3 4.242 4.441 -0.199 1
1 17 . 1 1 1 A 3 3 ALA C C 3 171.733 176.639 -4.906 1
1 18 . 1 1 1 A 3 3 ALA CA C 3 53.120 51.931 1.189 1
1 19 . 1 1 1 A 3 3 ALA CB C 3 19.076 21.285 -2.209 1
1 20 . 1 1 1 A 3 3 ALA N N 3 122.573 125.013 -2.440 1
1 21 . 1 1 1 A 4 4 ILE H H 4 8.389 8.666 -0.277 1
1 22 . 1 1 1 A 4 4 ILE HA H 4 3.730 3.730 0.000 1
1 32 . 1 1 1 A 4 4 ILE C C 4 177.391 174.587 2.804 1
1 33 . 1 1 1 A 4 4 ILE CA C 4 60.039 62.621 -2.582 1
1 34 . 1 1 1 A 4 4 ILE CB C 4 34.720 36.125 -1.405 1
1 38 . 1 1 1 A 4 4 ILE N N 4 119.283 122.905 -3.622 1
1 39 . 1 1 1 A 5 5 GLU H H 5 6.799 7.752 -0.953 1
1 40 . 1 1 1 A 5 5 GLU HA H 5 4.630 4.543 0.087 1
1 45 . 1 1 1 A 5 5 GLU C C 5 173.009 174.502 -1.493 1
1 46 . 1 1 1 A 5 5 GLU CA C 5 53.474 55.513 -2.039 1
1 47 . 1 1 1 A 5 5 GLU CB C 5 32.091 32.804 -0.713 1
1 49 . 1 1 1 A 5 5 GLU N N 5 122.616 120.511 2.105 1
1 50 . 1 1 1 A 6 6 VAL H H 6 8.899 8.435 0.464 1
1 51 . 1 1 1 A 6 6 VAL HA H 6 3.318 4.407 -1.089 1
1 59 . 1 1 1 A 6 6 VAL C C 6 174.172 176.327 -2.155 1
1 60 . 1 1 1 A 6 6 VAL CA C 6 65.581 63.139 2.442 1
1 61 . 1 1 1 A 6 6 VAL CB C 6 30.939 31.586 -0.647 1
1 64 . 1 1 1 A 6 6 VAL N N 6 122.205 121.403 0.802 1
1 65 . 1 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 1 1 1 A 7 7 GLY HA2 H 7 5.016 3.990 1.026 1
1 67 . 1 1 1 A 7 7 GLY HA3 H 7 3.187 3.992 -0.805 1
1 68 . 1 1 1 A 7 7 GLY C C 7 176.688 174.089 2.599 1
1 69 . 1 1 1 A 7 7 GLY CA C 7 44.580 45.047 -0.467 1
1 70 . 1 1 1 A 7 7 GLY N N 7 115.742 114.050 1.692 1
1 71 . 1 1 1 A 8 8 ARG H H 8 8.128 7.507 0.621 1
1 72 . 1 1 1 A 8 8 ARG HA H 8 4.226 4.440 -0.214 1
1 79 . 1 1 1 A 8 8 ARG C C 8 173.667 175.728 -2.061 1
1 80 . 1 1 1 A 8 8 ARG CA C 8 54.906 55.485 -0.579 1
1 81 . 1 1 1 A 8 8 ARG CB C 8 29.331 31.059 -1.728 1
1 84 . 1 1 1 A 8 8 ARG N N 8 120.180 121.774 -1.594 1
1 85 . 1 1 1 A 9 9 ILE H H 9 8.571 8.202 0.369 1
1 86 . 1 1 1 A 9 9 ILE HA H 9 4.965 4.556 0.409 1
1 96 . 1 1 1 A 9 9 ILE C C 9 175.361 175.455 -0.094 1
1 97 . 1 1 1 A 9 9 ILE CA C 9 61.241 60.436 0.805 1
1 98 . 1 1 1 A 9 9 ILE CB C 9 36.712 38.349 -1.637 1
1 102 . 1 1 1 A 9 9 ILE N N 9 129.626 127.151 2.475 1
1 103 . 1 1 1 A 10 10 CYS H H 10 9.614 9.508 0.106 1
1 104 . 1 1 1 A 10 10 CYS HA H 10 5.471 5.535 -0.064 1
1 107 . 1 1 1 A 10 10 CYS C C 10 177.158 172.730 4.428 1
1 108 . 1 1 1 A 10 10 CYS CA C 10 57.088 56.294 0.794 1
1 109 . 1 1 1 A 10 10 CYS CB C 10 32.935 32.249 0.686 1
1 110 . 1 1 1 A 10 10 CYS N N 10 126.595 124.020 2.575 1
1 111 . 1 1 1 A 11 11 VAL H H 11 8.926 8.480 0.446 1
1 112 . 1 1 1 A 11 11 VAL HA H 11 4.351 4.768 -0.417 1
1 120 . 1 1 1 A 11 11 VAL C C 11 172.010 174.082 -2.072 1
1 121 . 1 1 1 A 11 11 VAL CA C 11 60.857 59.620 1.237 1
1 122 . 1 1 1 A 11 11 VAL CB C 11 33.989 35.810 -1.821 1
1 125 . 1 1 1 A 11 11 VAL N N 11 119.765 120.276 -0.511 1
1 126 . 1 1 1 A 12 12 LYS H H 12 8.961 8.356 0.605 1
1 127 . 1 1 1 A 12 12 LYS HA H 12 4.510 4.196 0.314 1
1 136 . 1 1 1 A 12 12 LYS C C 12 175.625 176.984 -1.359 1
1 137 . 1 1 1 A 12 12 LYS CA C 12 56.422 56.347 0.075 1
1 138 . 1 1 1 A 12 12 LYS CB C 12 32.726 31.977 0.749 1
1 142 . 1 1 1 A 12 12 LYS N N 12 127.967 126.463 1.504 1
1 143 . 1 1 1 A 13 13 VAL H H 13 8.522 8.480 0.042 1
1 144 . 1 1 1 A 13 13 VAL HA H 13 4.518 3.882 0.636 1
1 152 . 1 1 1 A 13 13 VAL C C 13 176.284 175.411 0.873 1
1 153 . 1 1 1 A 13 13 VAL CA C 13 61.492 64.519 -3.027 1
1 154 . 1 1 1 A 13 13 VAL CB C 13 32.089 32.339 -0.250 1
1 157 . 1 1 1 A 13 13 VAL N N 13 118.593 126.401 -7.808 1
1 158 . 1 1 1 A 14 14 LYS H H 14 7.310 7.455 -0.145 1
1 159 . 1 1 1 A 14 14 LYS HA H 14 4.580 4.599 -0.019 1
1 168 . 1 1 1 A 14 14 LYS C C 14 174.043 176.132 -2.089 1
1 169 . 1 1 1 A 14 14 LYS CA C 14 54.090 54.955 -0.865 1
1 170 . 1 1 1 A 14 14 LYS CB C 14 36.489 36.361 0.128 1
1 174 . 1 1 1 A 14 14 LYS N N 14 117.809 118.569 -0.760 1
1 175 . 1 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 1 1 1 A 15 15 GLY HA2 H 15 4.264 3.964 0.300 1
1 177 . 1 1 1 A 15 15 GLY HA3 H 15 3.845 3.977 -0.132 1
1 178 . 1 1 1 A 15 15 GLY C C 15 175.166 173.201 1.965 1
1 179 . 1 1 1 A 15 15 GLY CA C 15 43.993 45.431 -1.438 1
1 180 . 1 1 1 A 15 15 GLY N N 15 108.732 110.670 -1.938 1
1 181 . 1 1 1 A 16 16 ARG H H 16 8.618 7.929 0.689 1
1 182 . 1 1 1 A 16 16 ARG HA H 16 4.082 4.594 -0.512 1
1 189 . 1 1 1 A 16 16 ARG C C 16 174.254 175.707 -1.453 1
1 190 . 1 1 1 A 16 16 ARG CA C 16 57.950 55.044 2.906 1
1 191 . 1 1 1 A 16 16 ARG CB C 16 29.776 30.460 -0.684 1
1 194 . 1 1 1 A 16 16 ARG N N 16 120.561 120.121 0.440 1
1 195 . 1 1 1 A 17 17 GLU H H 17 8.935 8.543 0.392 1
1 196 . 1 1 1 A 17 17 GLU HA H 17 4.190 3.969 0.221 1
1 201 . 1 1 1 A 17 17 GLU C C 17 177.426 175.852 1.574 1
1 202 . 1 1 1 A 17 17 GLU CA C 17 55.386 58.977 -3.591 1
1 203 . 1 1 1 A 17 17 GLU CB C 17 27.412 28.290 -0.878 1
1 205 . 1 1 1 A 17 17 GLU N N 17 115.930 119.084 -3.154 1
1 206 . 1 1 1 A 18 18 ALA H H 18 7.267 8.052 -0.785 1
1 207 . 1 1 1 A 18 18 ALA HA H 18 3.737 4.500 -0.763 1
1 211 . 1 1 1 A 18 18 ALA C C 18 174.969 178.091 -3.122 1
1 212 . 1 1 1 A 18 18 ALA CA C 18 53.272 51.404 1.868 1
1 213 . 1 1 1 A 18 18 ALA CB C 18 17.382 19.341 -1.959 1
1 214 . 1 1 1 A 18 18 ALA N N 18 120.485 122.900 -2.415 1
1 215 . 1 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 1 1 1 A 19 19 GLY HA2 H 19 4.680 3.839 0.841 1
1 217 . 1 1 1 A 19 19 GLY HA3 H 19 3.451 3.849 -0.398 1
1 218 . 1 1 1 A 19 19 GLY C C 19 178.386 173.142 5.244 1
1 219 . 1 1 1 A 19 19 GLY CA C 19 44.905 45.512 -0.607 1
1 220 . 1 1 1 A 19 19 GLY N N 19 112.194 107.536 4.658 1
1 221 . 1 1 1 A 20 20 SER H H 20 8.162 7.533 0.629 1
1 222 . 1 1 1 A 20 20 SER HA H 20 4.861 4.946 -0.085 1
1 225 . 1 1 1 A 20 20 SER C C 20 173.441 172.870 0.571 1
1 226 . 1 1 1 A 20 20 SER CA C 20 58.253 57.361 0.892 1
1 227 . 1 1 1 A 20 20 SER CB C 20 64.447 65.914 -1.467 1
1 228 . 1 1 1 A 20 20 SER N N 20 115.207 114.432 0.775 1
1 229 . 1 1 1 A 21 21 LYS H H 21 8.836 8.820 0.016 1
1 230 . 1 1 1 A 21 21 LYS HA H 21 5.369 5.130 0.239 1
1 239 . 1 1 1 A 21 21 LYS C C 21 172.859 174.813 -1.954 1
1 240 . 1 1 1 A 21 21 LYS CA C 21 55.508 54.569 0.939 1
1 241 . 1 1 1 A 21 21 LYS CB C 21 34.795 35.518 -0.723 1
1 245 . 1 1 1 A 21 21 LYS N N 21 121.269 124.988 -3.719 1
1 246 . 1 1 1 A 22 22 CYS H H 22 8.905 8.729 0.176 1
1 247 . 1 1 1 A 22 22 CYS HA H 22 5.527 5.241 0.286 1
1 250 . 1 1 1 A 22 22 CYS C C 22 174.204 172.866 1.338 1
1 251 . 1 1 1 A 22 22 CYS CA C 22 55.584 57.672 -2.088 1
1 252 . 1 1 1 A 22 22 CYS CB C 22 30.941 32.852 -1.911 1
1 253 . 1 1 1 A 22 22 CYS N N 22 110.073 120.817 -10.744 1
1 254 . 1 1 1 A 23 23 VAL H H 23 9.325 9.284 0.041 1
1 255 . 1 1 1 A 23 23 VAL HA H 23 4.761 4.947 -0.186 1
1 263 . 1 1 1 A 23 23 VAL C C 23 171.121 174.107 -2.986 1
1 264 . 1 1 1 A 23 23 VAL CA C 23 60.552 59.690 0.862 1
1 265 . 1 1 1 A 23 23 VAL CB C 23 35.141 35.787 -0.646 1
1 268 . 1 1 1 A 23 23 VAL N N 23 119.042 120.586 -1.544 1
1 269 . 1 1 1 A 24 24 ILE H H 24 8.239 9.044 -0.805 1
1 270 . 1 1 1 A 24 24 ILE HA H 24 4.239 4.282 -0.043 1
1 280 . 1 1 1 A 24 24 ILE C C 24 175.805 175.937 -0.132 1
1 281 . 1 1 1 A 24 24 ILE CA C 24 62.552 61.629 0.923 1
1 282 . 1 1 1 A 24 24 ILE CB C 24 36.819 37.831 -1.012 1
1 286 . 1 1 1 A 24 24 ILE N N 24 124.259 127.789 -3.530 1
1 287 . 1 1 1 A 25 25 VAL H H 25 9.205 8.896 0.309 1
1 288 . 1 1 1 A 25 25 VAL HA H 25 4.689 4.279 0.410 1
1 296 . 1 1 1 A 25 25 VAL C C 25 175.650 174.851 0.799 1
1 297 . 1 1 1 A 25 25 VAL CA C 25 60.947 63.187 -2.240 1
1 298 . 1 1 1 A 25 25 VAL CB C 25 32.986 34.230 -1.244 1
1 301 . 1 1 1 A 25 25 VAL N N 25 121.805 126.917 -5.112 1
1 302 . 1 1 1 A 26 26 ASP H H 26 8.103 7.666 0.437 1
1 303 . 1 1 1 A 26 26 ASP HA H 26 4.771 5.160 -0.389 1
1 306 . 1 1 1 A 26 26 ASP C C 26 174.343 173.846 0.497 1
1 307 . 1 1 1 A 26 26 ASP CA C 26 53.671 52.884 0.787 1
1 308 . 1 1 1 A 26 26 ASP CB C 26 43.563 44.647 -1.084 1
1 309 . 1 1 1 A 26 26 ASP N N 26 118.459 120.205 -1.746 1
1 310 . 1 1 1 A 27 27 ILE H H 27 9.092 8.938 0.154 1
1 311 . 1 1 1 A 27 27 ILE HA H 27 4.273 4.462 -0.189 1
1 321 . 1 1 1 A 27 27 ILE C C 27 173.976 175.490 -1.514 1
1 322 . 1 1 1 A 27 27 ILE CA C 27 60.306 60.554 -0.248 1
1 323 . 1 1 1 A 27 27 ILE CB C 27 38.339 39.014 -0.675 1
1 327 . 1 1 1 A 27 27 ILE N N 27 124.375 125.980 -1.605 1
1 328 . 1 1 1 A 28 28 ILE H H 28 8.055 9.067 -1.012 1
1 329 . 1 1 1 A 28 28 ILE HA H 28 3.986 4.162 -0.176 1
1 339 . 1 1 1 A 28 28 ILE C C 28 174.733 175.370 -0.637 1
1 340 . 1 1 1 A 28 28 ILE CA C 28 62.414 62.714 -0.300 1
1 341 . 1 1 1 A 28 28 ILE CB C 28 37.450 38.428 -0.978 1
1 345 . 1 1 1 A 28 28 ILE N N 28 127.525 128.433 -0.908 1
1 346 . 1 1 1 A 29 29 ASP H H 29 8.438 7.991 0.447 1
1 347 . 1 1 1 A 29 29 ASP HA H 29 4.522 4.848 -0.326 1
1 350 . 1 1 1 A 29 29 ASP C C 29 175.289 174.667 0.622 1
1 351 . 1 1 1 A 29 29 ASP CA C 29 53.316 53.103 0.213 1
1 352 . 1 1 1 A 29 29 ASP CB C 29 39.450 44.056 -4.606 1
1 353 . 1 1 1 A 29 29 ASP N N 29 118.886 116.406 2.480 1
1 354 . 1 1 1 A 30 30 ASP H H 30 8.140 8.892 -0.752 1
1 355 . 1 1 1 A 30 30 ASP HA H 30 4.375 4.378 -0.003 1
1 358 . 1 1 1 A 30 30 ASP C C 30 174.332 177.599 -3.267 1
1 359 . 1 1 1 A 30 30 ASP CA C 30 56.171 56.666 -0.495 1
1 360 . 1 1 1 A 30 30 ASP CB C 30 40.302 40.503 -0.201 1
1 361 . 1 1 1 A 30 30 ASP N N 30 112.219 121.520 -9.301 1
1 362 . 1 1 1 A 31 31 ASN H H 31 8.866 7.753 1.113 1
1 363 . 1 1 1 A 31 31 ASN HA H 31 4.805 4.695 0.110 1
1 366 . 1 1 1 A 31 31 ASN C C 31 175.926 175.795 0.131 1
1 367 . 1 1 1 A 31 31 ASN CA C 31 54.015 54.715 -0.700 1
1 368 . 1 1 1 A 31 31 ASN CB C 31 42.366 39.891 2.475 1
1 369 . 1 1 1 A 31 31 ASN N N 31 114.650 115.501 -0.851 1
1 370 . 1 1 1 A 32 32 PHE H H 32 8.481 7.738 0.743 1
1 371 . 1 1 1 A 32 32 PHE HA H 32 5.279 4.979 0.300 1
1 376 . 1 1 1 A 32 32 PHE C C 32 173.451 175.664 -2.213 1
1 377 . 1 1 1 A 32 32 PHE CA C 32 57.629 58.116 -0.487 1
1 378 . 1 1 1 A 32 32 PHE CB C 32 42.418 38.947 3.471 1
1 379 . 1 1 1 A 32 32 PHE N N 32 117.648 117.670 -0.022 1
1 380 . 1 1 1 A 33 33 VAL H H 33 8.680 9.066 -0.386 1
1 381 . 1 1 1 A 33 33 VAL HA H 33 4.720 4.983 -0.263 1
1 389 . 1 1 1 A 33 33 VAL C C 33 174.458 173.730 0.728 1
1 390 . 1 1 1 A 33 33 VAL CA C 33 58.331 59.319 -0.988 1
1 391 . 1 1 1 A 33 33 VAL CB C 33 34.410 35.666 -1.256 1
1 394 . 1 1 1 A 33 33 VAL N N 33 110.814 118.151 -7.337 1
1 395 . 1 1 1 A 34 34 LEU H H 34 8.696 9.104 -0.408 1
1 396 . 1 1 1 A 34 34 LEU HA H 34 4.871 5.135 -0.264 1
1 406 . 1 1 1 A 34 34 LEU C C 34 172.716 175.808 -3.092 1
1 407 . 1 1 1 A 34 34 LEU CA C 34 53.776 53.479 0.297 1
1 408 . 1 1 1 A 34 34 LEU CB C 34 44.582 44.355 0.227 1
1 412 . 1 1 1 A 34 34 LEU N N 34 123.160 125.794 -2.634 1
1 413 . 1 1 1 A 35 35 VAL H H 35 8.460 8.944 -0.484 1
1 414 . 1 1 1 A 35 35 VAL HA H 35 5.674 5.173 0.501 1
1 422 . 1 1 1 A 35 35 VAL C C 35 176.009 174.750 1.259 1
1 423 . 1 1 1 A 35 35 VAL CA C 35 57.423 60.100 -2.677 1
1 424 . 1 1 1 A 35 35 VAL CB C 35 35.541 33.779 1.762 1
1 427 . 1 1 1 A 35 35 VAL N N 35 119.184 122.458 -3.274 1
1 428 . 1 1 1 A 36 36 THR H H 36 8.362 9.047 -0.685 1
1 429 . 1 1 1 A 36 36 THR HA H 36 4.535 4.731 -0.196 1
1 434 . 1 1 1 A 36 36 THR C C 36 173.498 172.493 1.005 1
1 435 . 1 1 1 A 36 36 THR CA C 36 59.643 59.863 -0.220 1
1 436 . 1 1 1 A 36 36 THR CB C 36 70.439 70.133 0.306 1
1 438 . 1 1 1 A 36 36 THR N N 36 109.151 117.000 -7.849 1
1 439 . 1 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 1 1 1 A 37 37 GLY C C 37 172.460 171.387 1.073 1
1 441 . 1 1 1 A 37 37 GLY CA C 37 51.421 44.890 6.531 1
1 442 . 1 1 1 A 37 37 GLY N N 37 115.474 110.403 5.071 1
1 443 . 1 1 1 A 38 38 PRO HA H 38 5.235 4.612 0.623 1
1 450 . 1 1 1 A 38 38 PRO CA C 38 60.459 63.002 -2.543 1
1 451 . 1 1 1 A 38 38 PRO CB C 38 35.517 31.755 3.762 1
1 454 . 1 1 1 A 39 39 LYS H H 39 9.463 9.467 -0.004 1
1 455 . 1 1 1 A 39 39 LYS HA H 39 3.545 3.889 -0.344 1
1 464 . 1 1 1 A 39 39 LYS C C 39 179.019 178.055 0.964 1
1 465 . 1 1 1 A 39 39 LYS CA C 39 60.344 59.441 0.903 1
1 466 . 1 1 1 A 39 39 LYS CB C 39 31.826 32.615 -0.789 1
1 470 . 1 1 1 A 39 39 LYS N N 39 127.869 125.069 2.800 1
1 471 . 1 1 1 A 40 40 ASP H H 40 9.035 8.220 0.815 1
1 472 . 1 1 1 A 40 40 ASP HA H 40 4.375 4.460 -0.085 1
1 475 . 1 1 1 A 40 40 ASP C C 40 177.615 177.789 -0.174 1
1 476 . 1 1 1 A 40 40 ASP CA C 40 55.080 56.109 -1.029 1
1 477 . 1 1 1 A 40 40 ASP CB C 40 39.209 40.905 -1.696 1
1 478 . 1 1 1 A 40 40 ASP N N 40 115.744 118.832 -3.088 1
1 479 . 1 1 1 A 41 41 ILE H H 41 7.739 7.623 0.116 1
1 480 . 1 1 1 A 41 41 ILE HA H 41 4.218 3.972 0.246 1
1 490 . 1 1 1 A 41 41 ILE C C 41 174.826 177.605 -2.779 1
1 491 . 1 1 1 A 41 41 ILE CA C 41 61.664 63.753 -2.089 1
1 492 . 1 1 1 A 41 41 ILE CB C 41 37.453 38.650 -1.197 1
1 496 . 1 1 1 A 41 41 ILE N N 41 116.447 118.339 -1.892 1
1 497 . 1 1 1 A 42 42 THR H H 42 7.766 7.824 -0.058 1
1 498 . 1 1 1 A 42 42 THR HA H 42 4.734 4.480 0.254 1
1 503 . 1 1 1 A 42 42 THR C C 42 175.827 175.309 0.518 1
1 504 . 1 1 1 A 42 42 THR CA C 42 60.110 62.487 -2.377 1
1 505 . 1 1 1 A 42 42 THR CB C 42 71.791 70.449 1.342 1
1 507 . 1 1 1 A 42 42 THR N N 42 104.054 111.167 -7.113 1
1 508 . 1 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 1 1 1 A 43 43 GLY HA2 H 43 4.461 3.953 0.508 1
1 510 . 1 1 1 A 43 43 GLY HA3 H 43 3.836 3.955 -0.119 1
1 511 . 1 1 1 A 43 43 GLY C C 43 175.208 174.623 0.585 1
1 512 . 1 1 1 A 43 43 GLY CA C 43 44.826 46.763 -1.937 1
1 513 . 1 1 1 A 43 43 GLY N N 43 109.006 110.066 -1.060 1
1 514 . 1 1 1 A 44 44 VAL H H 44 7.289 8.109 -0.820 1
1 515 . 1 1 1 A 44 44 VAL HA H 44 3.945 4.017 -0.072 1
1 523 . 1 1 1 A 44 44 VAL C C 44 173.149 175.377 -2.228 1
1 524 . 1 1 1 A 44 44 VAL CA C 44 62.902 62.255 0.647 1
1 525 . 1 1 1 A 44 44 VAL CB C 44 31.715 32.092 -0.377 1
1 528 . 1 1 1 A 44 44 VAL N N 44 120.903 120.522 0.381 1
1 529 . 1 1 1 A 45 45 LYS H H 45 8.308 8.381 -0.073 1
1 530 . 1 1 1 A 45 45 LYS HA H 45 4.190 4.524 -0.334 1
1 539 . 1 1 1 A 45 45 LYS C C 45 175.177 175.902 -0.725 1
1 540 . 1 1 1 A 45 45 LYS CA C 45 56.355 56.180 0.175 1
1 541 . 1 1 1 A 45 45 LYS CB C 45 33.385 33.072 0.313 1
1 545 . 1 1 1 A 45 45 LYS N N 45 128.406 128.341 0.065 1
1 546 . 1 1 1 A 46 46 ARG H H 46 8.080 8.310 -0.230 1
1 547 . 1 1 1 A 46 46 ARG HA H 46 5.720 4.627 1.093 1
1 554 . 1 1 1 A 46 46 ARG C C 46 173.780 175.901 -2.121 1
1 555 . 1 1 1 A 46 46 ARG CA C 46 54.888 56.197 -1.309 1
1 556 . 1 1 1 A 46 46 ARG CB C 46 29.630 30.659 -1.029 1
1 559 . 1 1 1 A 46 46 ARG N N 46 120.129 123.748 -3.619 1
1 560 . 1 1 1 A 47 47 ARG H H 47 8.452 8.999 -0.547 1
1 561 . 1 1 1 A 47 47 ARG HA H 47 4.732 5.058 -0.326 1
1 568 . 1 1 1 A 47 47 ARG C C 47 176.138 174.073 2.065 1
1 569 . 1 1 1 A 47 47 ARG CA C 47 54.319 54.591 -0.272 1
1 570 . 1 1 1 A 47 47 ARG CB C 47 33.746 33.888 -0.142 1
1 573 . 1 1 1 A 47 47 ARG N N 47 126.780 119.511 7.269 1
1 574 . 1 1 1 A 48 48 ARG H H 48 8.546 8.877 -0.331 1
1 575 . 1 1 1 A 48 48 ARG HA H 48 5.111 5.069 0.042 1
1 582 . 1 1 1 A 48 48 ARG C C 48 174.339 175.600 -1.261 1
1 583 . 1 1 1 A 48 48 ARG CA C 48 55.524 55.143 0.381 1
1 584 . 1 1 1 A 48 48 ARG CB C 48 31.132 31.868 -0.736 1
1 587 . 1 1 1 A 48 48 ARG N N 48 121.931 123.564 -1.633 1
1 588 . 1 1 1 A 49 49 VAL H H 49 9.485 9.045 0.440 1
1 589 . 1 1 1 A 49 49 VAL HA H 49 4.651 4.937 -0.286 1
1 597 . 1 1 1 A 49 49 VAL C C 49 176.112 175.251 0.861 1
1 598 . 1 1 1 A 49 49 VAL CA C 49 60.040 59.025 1.015 1
1 599 . 1 1 1 A 49 49 VAL CB C 49 36.427 34.990 1.437 1
1 602 . 1 1 1 A 49 49 VAL N N 49 122.891 121.791 1.100 1
1 603 . 1 1 1 A 50 50 ASN H H 50 8.569 8.210 0.359 1
1 604 . 1 1 1 A 50 50 ASN HA H 50 4.213 5.032 -0.819 1
1 607 . 1 1 1 A 50 50 ASN C C 50 173.258 174.721 -1.463 1
1 608 . 1 1 1 A 50 50 ASN CA C 50 52.732 51.722 1.010 1
1 609 . 1 1 1 A 50 50 ASN CB C 50 38.173 37.370 0.803 1
1 610 . 1 1 1 A 50 50 ASN N N 50 125.736 118.075 7.661 1
1 611 . 1 1 1 A 51 51 ILE H H 51 8.601 7.948 0.653 1
1 612 . 1 1 1 A 51 51 ILE HA H 51 3.632 3.792 -0.160 1
1 622 . 1 1 1 A 51 51 ILE C C 51 176.785 175.797 0.988 1
1 623 . 1 1 1 A 51 51 ILE CA C 51 65.046 61.878 3.168 1
1 624 . 1 1 1 A 51 51 ILE CB C 51 38.532 36.414 2.118 1
1 628 . 1 1 1 A 51 51 ILE N N 51 126.454 115.165 11.289 1
1 629 . 1 1 1 A 52 52 LEU H H 52 8.448 7.957 0.491 1
1 630 . 1 1 1 A 52 52 LEU HA H 52 4.290 4.332 -0.042 1
1 640 . 1 1 1 A 52 52 LEU C C 52 176.765 176.516 0.249 1
1 641 . 1 1 1 A 52 52 LEU CA C 52 55.880 57.018 -1.138 1
1 642 . 1 1 1 A 52 52 LEU CB C 52 40.983 42.819 -1.836 1
1 646 . 1 1 1 A 52 52 LEU N N 52 118.365 126.706 -8.341 1
1 647 . 1 1 1 A 53 53 HIS H H 53 8.358 7.631 0.727 1
1 648 . 1 1 1 A 53 53 HIS HA H 53 4.621 4.819 -0.198 1
1 651 . 1 1 1 A 53 53 HIS C C 53 178.018 172.697 5.321 1
1 652 . 1 1 1 A 53 53 HIS CA C 53 53.996 55.471 -1.475 1
1 653 . 1 1 1 A 53 53 HIS CB C 53 30.306 30.369 -0.063 1
1 654 . 1 1 1 A 53 53 HIS N N 53 116.672 117.135 -0.463 1
1 655 . 1 1 1 A 54 54 LEU H H 54 7.693 9.066 -1.373 1
1 656 . 1 1 1 A 54 54 LEU HA H 54 5.222 4.902 0.320 1
1 666 . 1 1 1 A 54 54 LEU C C 54 173.609 174.221 -0.612 1
1 667 . 1 1 1 A 54 54 LEU CA C 54 52.932 54.154 -1.222 1
1 668 . 1 1 1 A 54 54 LEU CB C 54 45.943 45.761 0.182 1
1 672 . 1 1 1 A 54 54 LEU N N 54 119.311 127.691 -8.380 1
1 673 . 1 1 1 A 55 55 GLU H H 55 9.073 8.850 0.223 1
1 674 . 1 1 1 A 55 55 GLU C C 55 175.102 174.084 1.018 1
1 675 . 1 1 1 A 55 55 GLU CA C 55 52.073 52.774 -0.701 1
1 676 . 1 1 1 A 55 55 GLU CB C 55 31.958 31.768 0.190 1
1 677 . 1 1 1 A 55 55 GLU N N 55 120.139 125.171 -5.032 1
1 678 . 1 1 1 A 56 56 PRO HA H 56 4.903 4.592 0.311 1
1 685 . 1 1 1 A 56 56 PRO CA C 56 63.121 62.594 0.527 1
1 686 . 1 1 1 A 56 56 PRO CB C 56 32.274 32.350 -0.076 1
1 689 . 1 1 1 A 57 57 THR H H 57 8.502 8.665 -0.163 1
1 690 . 1 1 1 A 57 57 THR HA H 57 4.932 4.613 0.319 1
1 695 . 1 1 1 A 57 57 THR C C 57 175.894 174.546 1.348 1
1 696 . 1 1 1 A 57 57 THR CA C 57 60.602 59.933 0.669 1
1 697 . 1 1 1 A 57 57 THR CB C 57 71.821 70.990 0.831 1
1 699 . 1 1 1 A 57 57 THR N N 57 113.388 116.589 -3.201 1
1 700 . 1 1 1 A 58 58 ASP H H 58 8.605 8.610 -0.005 1
1 701 . 1 1 1 A 58 58 ASP HA H 58 4.445 4.593 -0.148 1
1 704 . 1 1 1 A 58 58 ASP C C 58 173.673 176.695 -3.022 1
1 705 . 1 1 1 A 58 58 ASP CA C 58 53.743 56.131 -2.388 1
1 706 . 1 1 1 A 58 58 ASP CB C 58 39.622 41.842 -2.220 1
1 707 . 1 1 1 A 58 58 ASP N N 58 115.340 123.236 -7.896 1
1 708 . 1 1 1 A 59 59 LYS H H 59 8.544 7.880 0.664 1
1 709 . 1 1 1 A 59 59 LYS HA H 59 4.646 4.353 0.293 1
1 718 . 1 1 1 A 59 59 LYS C C 59 174.972 175.795 -0.823 1
1 719 . 1 1 1 A 59 59 LYS CA C 59 54.336 56.536 -2.200 1
1 720 . 1 1 1 A 59 59 LYS CB C 59 34.626 33.258 1.368 1
1 724 . 1 1 1 A 59 59 LYS N N 59 119.488 118.247 1.241 1
1 725 . 1 1 1 A 60 60 LYS H H 60 8.227 8.480 -0.253 1
1 726 . 1 1 1 A 60 60 LYS HA H 60 4.999 5.226 -0.227 1
1 735 . 1 1 1 A 60 60 LYS C C 60 174.256 175.090 -0.834 1
1 736 . 1 1 1 A 60 60 LYS CA C 60 54.465 55.122 -0.657 1
1 737 . 1 1 1 A 60 60 LYS CB C 60 36.153 36.151 0.002 1
1 741 . 1 1 1 A 60 60 LYS N N 60 121.112 121.934 -0.822 1
1 742 . 1 1 1 A 61 61 ILE H H 61 8.527 9.264 -0.737 1
1 743 . 1 1 1 A 61 61 ILE HA H 61 4.724 4.892 -0.168 1
1 753 . 1 1 1 A 61 61 ILE C C 61 174.330 173.932 0.398 1
1 754 . 1 1 1 A 61 61 ILE CA C 61 58.831 59.390 -0.559 1
1 755 . 1 1 1 A 61 61 ILE CB C 61 41.357 40.195 1.162 1
1 759 . 1 1 1 A 61 61 ILE N N 61 116.027 120.921 -4.894 1
1 760 . 1 1 1 A 62 62 ASP H H 62 8.513 8.771 -0.258 1
1 761 . 1 1 1 A 62 62 ASP HA H 62 4.732 4.880 -0.148 1
1 764 . 1 1 1 A 62 62 ASP C C 62 174.224 175.109 -0.885 1
1 765 . 1 1 1 A 62 62 ASP CA C 62 53.163 53.248 -0.085 1
1 766 . 1 1 1 A 62 62 ASP CB C 62 39.686 41.052 -1.366 1
1 767 . 1 1 1 A 62 62 ASP N N 62 121.643 123.612 -1.969 1
1 768 . 1 1 1 A 63 63 ILE H H 63 7.389 8.627 -1.238 1
1 769 . 1 1 1 A 63 63 ILE HA H 63 4.641 5.034 -0.393 1
1 779 . 1 1 1 A 63 63 ILE C C 63 174.484 174.677 -0.193 1
1 780 . 1 1 1 A 63 63 ILE CA C 63 58.244 58.510 -0.266 1
1 781 . 1 1 1 A 63 63 ILE CB C 63 41.811 42.426 -0.615 1
1 785 . 1 1 1 A 63 63 ILE N N 63 114.509 121.272 -6.763 1
1 786 . 1 1 1 A 64 64 GLN H H 64 8.529 8.525 0.004 1
1 787 . 1 1 1 A 64 64 GLN HA H 64 4.390 4.768 -0.378 1
1 792 . 1 1 1 A 64 64 GLN C C 64 174.409 174.467 -0.058 1
1 793 . 1 1 1 A 64 64 GLN CA C 64 53.860 54.069 -0.209 1
1 794 . 1 1 1 A 64 64 GLN CB C 64 30.086 31.792 -1.706 1
1 796 . 1 1 1 A 64 64 GLN N N 64 119.145 120.470 -1.325 1
1 797 . 1 1 1 A 65 65 LYS H H 65 8.323 8.562 -0.239 1
1 798 . 1 1 1 A 65 65 LYS HA H 65 4.132 4.201 -0.069 1
1 807 . 1 1 1 A 65 65 LYS C C 65 174.920 177.377 -2.457 1
1 808 . 1 1 1 A 65 65 LYS CA C 65 57.603 57.659 -0.056 1
1 809 . 1 1 1 A 65 65 LYS CB C 65 32.341 33.041 -0.700 1
1 813 . 1 1 1 A 65 65 LYS N N 65 119.780 122.100 -2.320 1
1 814 . 1 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 1 1 1 A 66 66 GLY HA2 H 66 4.093 3.986 0.107 1
1 816 . 1 1 1 A 66 66 GLY HA3 H 66 3.297 3.987 -0.690 1
1 817 . 1 1 1 A 66 66 GLY C C 66 177.892 174.175 3.717 1
1 818 . 1 1 1 A 66 66 GLY CA C 66 44.953 46.075 -1.122 1
1 819 . 1 1 1 A 66 66 GLY N N 66 112.449 114.633 -2.184 1
1 820 . 1 1 1 A 67 67 ALA H H 67 7.545 7.838 -0.293 1
1 821 . 1 1 1 A 67 67 ALA HA H 67 4.081 4.736 -0.655 1
1 825 . 1 1 1 A 67 67 ALA C C 67 173.517 176.333 -2.816 1
1 826 . 1 1 1 A 67 67 ALA CA C 67 52.802 51.077 1.725 1
1 827 . 1 1 1 A 67 67 ALA CB C 67 20.424 21.711 -1.287 1
1 828 . 1 1 1 A 67 67 ALA N N 67 121.516 123.276 -1.760 1
1 829 . 1 1 1 A 68 68 SER H H 68 8.904 8.436 0.468 1
1 830 . 1 1 1 A 68 68 SER HA H 68 4.261 5.011 -0.750 1
1 833 . 1 1 1 A 68 68 SER C C 68 177.019 174.843 2.176 1
1 834 . 1 1 1 A 68 68 SER CA C 68 57.321 56.185 1.136 1
1 835 . 1 1 1 A 68 68 SER CB C 68 65.064 66.635 -1.571 1
1 836 . 1 1 1 A 68 68 SER N N 68 119.470 111.211 8.259 1
1 837 . 1 1 1 A 69 69 ASP H H 69 9.379 8.774 0.605 1
1 838 . 1 1 1 A 69 69 ASP HA H 69 4.184 4.256 -0.072 1
1 841 . 1 1 1 A 69 69 ASP C C 69 173.831 177.847 -4.016 1
1 842 . 1 1 1 A 69 69 ASP CA C 69 57.843 57.910 -0.067 1
1 843 . 1 1 1 A 69 69 ASP CB C 69 39.367 40.990 -1.623 1
1 844 . 1 1 1 A 69 69 ASP N N 69 122.205 121.282 0.923 1
1 845 . 1 1 1 A 70 70 GLU H H 70 8.454 8.391 0.063 1
1 846 . 1 1 1 A 70 70 GLU HA H 70 3.966 4.004 -0.038 1
1 851 . 1 1 1 A 70 70 GLU C C 70 177.979 178.425 -0.446 1
1 852 . 1 1 1 A 70 70 GLU CA C 70 59.987 59.702 0.285 1
1 853 . 1 1 1 A 70 70 GLU CB C 70 28.804 28.970 -0.166 1
1 855 . 1 1 1 A 70 70 GLU N N 70 118.426 118.760 -0.334 1
1 856 . 1 1 1 A 71 71 GLU H H 71 7.835 7.928 -0.093 1
1 857 . 1 1 1 A 71 71 GLU HA H 71 4.050 4.082 -0.032 1
1 862 . 1 1 1 A 71 71 GLU C C 71 178.486 179.169 -0.683 1
1 863 . 1 1 1 A 71 71 GLU CA C 71 58.998 59.115 -0.117 1
1 864 . 1 1 1 A 71 71 GLU CB C 71 29.068 29.204 -0.136 1
1 866 . 1 1 1 A 71 71 GLU N N 71 122.166 119.554 2.612 1
1 867 . 1 1 1 A 72 72 VAL H H 72 8.387 8.202 0.185 1
1 868 . 1 1 1 A 72 72 VAL HA H 72 3.295 3.547 -0.252 1
1 876 . 1 1 1 A 72 72 VAL C C 72 178.603 177.822 0.781 1
1 877 . 1 1 1 A 72 72 VAL CA C 72 66.989 67.050 -0.061 1
1 878 . 1 1 1 A 72 72 VAL CB C 72 31.242 31.389 -0.147 1
1 881 . 1 1 1 A 72 72 VAL N N 72 118.871 119.237 -0.366 1
1 882 . 1 1 1 A 73 73 LYS H H 73 8.619 8.166 0.453 1
1 883 . 1 1 1 A 73 73 LYS HA H 73 3.734 3.948 -0.214 1
1 892 . 1 1 1 A 73 73 LYS C C 73 177.118 179.325 -2.207 1
1 893 . 1 1 1 A 73 73 LYS CA C 73 60.695 59.857 0.838 1
1 894 . 1 1 1 A 73 73 LYS CB C 73 32.320 32.059 0.261 1
1 898 . 1 1 1 A 73 73 LYS N N 73 118.351 118.523 -0.172 1
1 899 . 1 1 1 A 74 74 LYS H H 74 7.886 7.649 0.237 1
1 900 . 1 1 1 A 74 74 LYS HA H 74 4.133 4.075 0.058 1
1 909 . 1 1 1 A 74 74 LYS C C 74 178.306 179.706 -1.400 1
1 910 . 1 1 1 A 74 74 LYS CA C 74 58.954 59.695 -0.741 1
1 911 . 1 1 1 A 74 74 LYS CB C 74 31.974 32.132 -0.158 1
1 915 . 1 1 1 A 74 74 LYS N N 74 118.808 119.095 -0.287 1
1 916 . 1 1 1 A 75 75 LYS H H 75 8.118 7.935 0.183 1
1 917 . 1 1 1 A 75 75 LYS HA H 75 4.228 4.039 0.189 1
1 926 . 1 1 1 A 75 75 LYS C C 75 178.795 179.600 -0.805 1
1 927 . 1 1 1 A 75 75 LYS CA C 75 57.158 59.094 -1.936 1
1 928 . 1 1 1 A 75 75 LYS CB C 75 31.382 31.844 -0.462 1
1 932 . 1 1 1 A 75 75 LYS N N 75 118.374 119.487 -1.113 1
1 933 . 1 1 1 A 76 76 LEU H H 76 8.778 8.436 0.342 1
1 934 . 1 1 1 A 76 76 LEU HA H 76 3.931 4.125 -0.194 1
1 944 . 1 1 1 A 76 76 LEU C C 76 180.241 178.071 2.170 1
1 945 . 1 1 1 A 76 76 LEU CA C 76 58.203 57.613 0.590 1
1 946 . 1 1 1 A 76 76 LEU CB C 76 42.015 41.738 0.277 1
1 950 . 1 1 1 A 76 76 LEU N N 76 121.253 121.960 -0.707 1
1 951 . 1 1 1 A 77 77 GLU H H 77 7.951 8.279 -0.328 1
1 952 . 1 1 1 A 77 77 GLU HA H 77 4.227 3.858 0.369 1
1 957 . 1 1 1 A 77 77 GLU C C 77 178.403 179.019 -0.616 1
1 958 . 1 1 1 A 77 77 GLU CA C 77 58.892 60.158 -1.266 1
1 959 . 1 1 1 A 77 77 GLU CB C 77 28.925 29.191 -0.266 1
1 961 . 1 1 1 A 77 77 GLU N N 77 119.306 119.389 -0.083 1
1 962 . 1 1 1 A 78 78 GLU H H 78 8.595 8.454 0.141 1
1 963 . 1 1 1 A 78 78 GLU HA H 78 4.099 4.043 0.056 1
1 968 . 1 1 1 A 78 78 GLU C C 78 180.586 178.627 1.959 1
1 969 . 1 1 1 A 78 78 GLU CA C 78 58.850 59.409 -0.559 1
1 970 . 1 1 1 A 78 78 GLU CB C 78 29.878 29.224 0.654 1
1 972 . 1 1 1 A 78 78 GLU N N 78 120.814 118.609 2.205 1
1 973 . 1 1 1 A 79 79 SER H H 79 7.519 7.574 -0.055 1
1 974 . 1 1 1 A 79 79 SER HA H 79 4.592 4.527 0.065 1
1 977 . 1 1 1 A 79 79 SER C C 79 177.761 173.849 3.912 1
1 978 . 1 1 1 A 79 79 SER CA C 79 58.324 58.219 0.105 1
1 979 . 1 1 1 A 79 79 SER CB C 79 63.796 63.416 0.380 1
1 980 . 1 1 1 A 79 79 SER N N 79 110.823 112.050 -1.227 1
1 981 . 1 1 1 A 80 80 ASN H H 80 8.126 8.174 -0.048 1
1 982 . 1 1 1 A 80 80 ASN HA H 80 4.700 4.411 0.289 1
1 985 . 1 1 1 A 80 80 ASN C C 80 172.562 175.623 -3.061 1
1 986 . 1 1 1 A 80 80 ASN CA C 80 53.603 54.511 -0.908 1
1 987 . 1 1 1 A 80 80 ASN CB C 80 36.754 38.303 -1.549 1
1 988 . 1 1 1 A 80 80 ASN N N 80 117.027 118.179 -1.152 1
1 989 . 1 1 1 A 81 81 LEU H H 81 8.526 7.520 1.006 1
1 990 . 1 1 1 A 81 81 LEU HA H 81 4.767 4.512 0.255 1
1 1000 . 1 1 1 A 81 81 LEU C C 81 175.743 177.907 -2.164 1
1 1001 . 1 1 1 A 81 81 LEU CA C 81 54.008 54.683 -0.675 1
1 1002 . 1 1 1 A 81 81 LEU CB C 81 45.026 42.603 2.423 1
1 1006 . 1 1 1 A 81 81 LEU N N 81 114.910 119.940 -5.030 1
1 1007 . 1 1 1 A 82 82 THR H H 82 7.848 7.715 0.133 1
1 1008 . 1 1 1 A 82 82 THR HA H 82 4.117 3.929 0.188 1
1 1013 . 1 1 1 A 82 82 THR C C 82 176.676 176.995 -0.319 1
1 1014 . 1 1 1 A 82 82 THR CA C 82 67.474 65.376 2.098 1
1 1015 . 1 1 1 A 82 82 THR CB C 82 68.235 68.963 -0.728 1
1 1017 . 1 1 1 A 82 82 THR N N 82 117.802 113.570 4.232 1
1 1018 . 1 1 1 A 83 83 GLU H H 83 8.335 8.243 0.092 1
1 1019 . 1 1 1 A 83 83 GLU HA H 83 3.915 3.999 -0.084 1
1 1024 . 1 1 1 A 83 83 GLU C C 83 175.177 178.367 -3.190 1
1 1025 . 1 1 1 A 83 83 GLU CA C 83 59.541 59.452 0.089 1
1 1026 . 1 1 1 A 83 83 GLU CB C 83 27.819 29.439 -1.620 1
1 1028 . 1 1 1 A 83 83 GLU N N 83 118.314 120.643 -2.329 1
1 1029 . 1 1 1 A 84 84 TYR H H 84 8.043 8.408 -0.365 1
1 1030 . 1 1 1 A 84 84 TYR HA H 84 4.111 4.141 -0.030 1
1 1037 . 1 1 1 A 84 84 TYR C C 84 179.081 178.238 0.843 1
1 1038 . 1 1 1 A 84 84 TYR CA C 84 60.788 61.027 -0.239 1
1 1039 . 1 1 1 A 84 84 TYR CB C 84 37.753 38.623 -0.870 1
1 1040 . 1 1 1 A 84 84 TYR N N 84 121.386 121.765 -0.379 1
1 1041 . 1 1 1 A 85 85 MET H H 85 8.101 7.703 0.398 1
1 1042 . 1 1 1 A 85 85 MET HA H 85 4.259 4.167 0.092 1
1 1047 . 1 1 1 A 85 85 MET C C 85 178.628 178.628 0.000 1
1 1048 . 1 1 1 A 85 85 MET CA C 85 55.244 58.019 -2.775 1
1 1049 . 1 1 1 A 85 85 MET CB C 85 29.597 32.424 -2.827 1
1 1051 . 1 1 1 A 85 85 MET N N 85 116.695 118.490 -1.795 1
1 1052 . 1 1 1 A 86 86 LYS H H 86 7.301 8.061 -0.760 1
1 1053 . 1 1 1 A 86 86 LYS HA H 86 3.937 4.239 -0.302 1
1 1062 . 1 1 1 A 86 86 LYS C C 86 175.934 177.395 -1.461 1
1 1063 . 1 1 1 A 86 86 LYS CA C 86 57.318 58.846 -1.528 1
1 1064 . 1 1 1 A 86 86 LYS CB C 86 32.956 31.848 1.108 1
1 1068 . 1 1 1 A 86 86 LYS N N 86 114.957 119.377 -4.420 1
1 1069 . 1 1 1 A 87 87 GLU H H 87 7.031 7.591 -0.560 1
1 1070 . 1 1 1 A 87 87 GLU HA H 87 4.185 4.062 0.123 1
1 1075 . 1 1 1 A 87 87 GLU C C 87 176.247 175.796 0.451 1
1 1076 . 1 1 1 A 87 87 GLU CA C 87 55.780 56.964 -1.184 1
1 1077 . 1 1 1 A 87 87 GLU CB C 87 29.358 30.062 -0.704 1
1 1079 . 1 1 1 A 87 87 GLU N N 87 119.315 119.921 -0.606 1
1 1080 . 1 1 1 A 88 88 LYS H H 88 8.466 8.735 -0.269 1
1 1081 . 1 1 1 A 88 88 LYS HA H 88 4.568 5.026 -0.458 1
1 1090 . 1 1 1 A 88 88 LYS C C 88 175.539 175.181 0.358 1
1 1091 . 1 1 1 A 88 88 LYS CA C 88 55.271 54.839 0.432 1
1 1092 . 1 1 1 A 88 88 LYS CB C 88 33.457 35.274 -1.817 1
1 1096 . 1 1 1 A 88 88 LYS N N 88 127.402 122.160 5.242 1
1 1097 . 1 1 1 A 89 89 ILE H H 89 8.752 8.648 0.104 1
1 1098 . 1 1 1 A 89 89 ILE HA H 89 4.249 4.534 -0.285 1
1 1108 . 1 1 1 A 89 89 ILE C C 89 176.471 175.443 1.028 1
1 1109 . 1 1 1 A 89 89 ILE CA C 89 59.014 59.477 -0.463 1
1 1110 . 1 1 1 A 89 89 ILE CB C 89 38.437 40.342 -1.905 1
1 1114 . 1 1 1 A 89 89 ILE N N 89 122.906 122.953 -0.047 1
1 1115 . 1 1 1 A 90 90 LYS H H 90 8.394 8.732 -0.338 1
1 1116 . 1 1 1 A 90 90 LYS HA H 90 4.284 3.792 0.492 1
1 1125 . 1 1 1 A 90 90 LYS C C 90 175.276 175.880 -0.604 1
1 1126 . 1 1 1 A 90 90 LYS CA C 90 55.821 57.090 -1.269 1
1 1127 . 1 1 1 A 90 90 LYS CB C 90 31.860 29.250 2.610 1
1 1131 . 1 1 1 A 90 90 LYS N N 90 125.894 121.384 4.510 1
1 1132 . 1 1 1 A 91 91 ILE H H 91 8.141 7.729 0.412 1
1 1133 . 1 1 1 A 91 91 ILE HA H 91 4.165 4.375 -0.210 1
1 1143 . 1 1 1 A 91 91 ILE C C 91 175.506 175.598 -0.092 1
1 1144 . 1 1 1 A 91 91 ILE CA C 91 59.516 60.340 -0.824 1
1 1145 . 1 1 1 A 91 91 ILE CB C 91 37.991 38.039 -0.048 1
1 1149 . 1 1 1 A 91 91 ILE N N 91 124.934 119.787 5.147 1
1 1150 . 1 1 1 A 92 92 ARG H H 92 8.488 7.664 0.824 1
1 1151 . 1 1 1 A 92 92 ARG HA H 92 4.318 4.494 -0.176 1
1 1158 . 1 1 1 A 92 92 ARG C C 92 175.508 176.118 -0.610 1
1 1159 . 1 1 1 A 92 92 ARG CA C 92 55.708 56.062 -0.354 1
1 1160 . 1 1 1 A 92 92 ARG CB C 92 30.394 31.002 -0.608 1
1 1163 . 1 1 1 A 92 92 ARG N N 92 126.033 126.037 -0.004 1
1 1164 . 1 1 1 A 93 93 MET H H 93 8.362 8.785 -0.423 1
1 1165 . 1 1 1 A 93 93 MET C C 93 175.367 176.274 -0.907 1
1 1166 . 1 1 1 A 93 93 MET CA C 93 52.994 54.932 -1.938 1
1 1167 . 1 1 1 A 93 93 MET CB C 93 32.271 32.060 0.211 1
1 1168 . 1 1 1 A 93 93 MET N N 93 123.282 125.960 -2.678 1
1 1169 . 1 1 1 A 94 94 PRO HA H 94 4.505 4.395 0.110 1
1 1176 . 1 1 1 A 94 94 PRO CA C 94 62.884 64.956 -2.072 1
1 1177 . 1 1 1 A 94 94 PRO CB C 94 31.885 31.986 -0.101 1
1 1180 . 1 1 1 A 95 95 THR H H 95 8.180 7.757 0.423 1
1 1181 . 1 1 1 A 95 95 THR HA H 95 4.320 4.724 -0.404 1
1 1186 . 1 1 1 A 95 95 THR C C 95 176.463 172.308 4.155 1
1 1187 . 1 1 1 A 95 95 THR CA C 95 61.391 60.252 1.139 1
1 1188 . 1 1 1 A 95 95 THR CB C 95 69.583 71.401 -1.818 1
1 1190 . 1 1 1 A 95 95 THR N N 95 114.511 110.405 4.106 1
1 1 . 2 1 1 A 2 2 PRO HA H 2 4.279 4.242 0.037 1
1 8 . 2 1 1 A 2 2 PRO CA C 2 61.757 63.614 -1.857 1
1 9 . 2 1 1 A 2 2 PRO CB C 2 32.181 32.246 -0.065 1
1 12 . 2 1 1 A 3 3 ALA H H 3 8.418 8.457 -0.039 1
1 13 . 2 1 1 A 3 3 ALA HA H 3 4.242 3.928 0.314 1
1 17 . 2 1 1 A 3 3 ALA C C 3 171.733 176.319 -4.586 1
1 18 . 2 1 1 A 3 3 ALA CA C 3 53.120 54.152 -1.032 1
1 19 . 2 1 1 A 3 3 ALA CB C 3 19.076 17.856 1.220 1
1 20 . 2 1 1 A 3 3 ALA N N 3 122.573 121.330 1.243 1
1 21 . 2 1 1 A 4 4 ILE H H 4 8.389 8.423 -0.034 1
1 22 . 2 1 1 A 4 4 ILE HA H 4 3.730 4.444 -0.714 1
1 32 . 2 1 1 A 4 4 ILE C C 4 177.391 175.213 2.178 1
1 33 . 2 1 1 A 4 4 ILE CA C 4 60.039 60.812 -0.773 1
1 34 . 2 1 1 A 4 4 ILE CB C 4 34.720 37.616 -2.896 1
1 38 . 2 1 1 A 4 4 ILE N N 4 119.283 120.312 -1.029 1
1 39 . 2 1 1 A 5 5 GLU H H 5 6.799 8.831 -2.032 1
1 40 . 2 1 1 A 5 5 GLU HA H 5 4.630 4.956 -0.326 1
1 45 . 2 1 1 A 5 5 GLU C C 5 173.009 175.277 -2.268 1
1 46 . 2 1 1 A 5 5 GLU CA C 5 53.474 54.270 -0.796 1
1 47 . 2 1 1 A 5 5 GLU CB C 5 32.091 33.102 -1.011 1
1 49 . 2 1 1 A 5 5 GLU N N 5 122.616 124.481 -1.865 1
1 50 . 2 1 1 A 6 6 VAL H H 6 8.899 8.488 0.411 1
1 51 . 2 1 1 A 6 6 VAL HA H 6 3.318 3.637 -0.319 1
1 59 . 2 1 1 A 6 6 VAL C C 6 174.172 177.258 -3.086 1
1 60 . 2 1 1 A 6 6 VAL CA C 6 65.581 65.415 0.166 1
1 61 . 2 1 1 A 6 6 VAL CB C 6 30.939 31.340 -0.401 1
1 64 . 2 1 1 A 6 6 VAL N N 6 122.205 120.566 1.639 1
1 65 . 2 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 2 1 1 A 7 7 GLY HA2 H 7 5.016 3.968 1.048 1
1 67 . 2 1 1 A 7 7 GLY HA3 H 7 3.187 3.971 -0.784 1
1 68 . 2 1 1 A 7 7 GLY C C 7 176.688 174.278 2.410 1
1 69 . 2 1 1 A 7 7 GLY CA C 7 44.580 45.297 -0.717 1
1 70 . 2 1 1 A 7 7 GLY N N 7 115.742 115.137 0.605 1
1 71 . 2 1 1 A 8 8 ARG H H 8 8.128 7.594 0.534 1
1 72 . 2 1 1 A 8 8 ARG HA H 8 4.226 4.366 -0.140 1
1 79 . 2 1 1 A 8 8 ARG C C 8 173.667 175.703 -2.036 1
1 80 . 2 1 1 A 8 8 ARG CA C 8 54.906 55.644 -0.738 1
1 81 . 2 1 1 A 8 8 ARG CB C 8 29.331 31.094 -1.763 1
1 84 . 2 1 1 A 8 8 ARG N N 8 120.180 122.037 -1.857 1
1 85 . 2 1 1 A 9 9 ILE H H 9 8.571 8.532 0.039 1
1 86 . 2 1 1 A 9 9 ILE HA H 9 4.965 4.453 0.512 1
1 96 . 2 1 1 A 9 9 ILE C C 9 175.361 175.576 -0.215 1
1 97 . 2 1 1 A 9 9 ILE CA C 9 61.241 60.639 0.602 1
1 98 . 2 1 1 A 9 9 ILE CB C 9 36.712 37.132 -0.420 1
1 102 . 2 1 1 A 9 9 ILE N N 9 129.626 126.519 3.107 1
1 103 . 2 1 1 A 10 10 CYS H H 10 9.614 9.032 0.582 1
1 104 . 2 1 1 A 10 10 CYS HA H 10 5.471 5.636 -0.165 1
1 107 . 2 1 1 A 10 10 CYS C C 10 177.158 172.605 4.553 1
1 108 . 2 1 1 A 10 10 CYS CA C 10 57.088 57.121 -0.033 1
1 109 . 2 1 1 A 10 10 CYS CB C 10 32.935 30.492 2.443 1
1 110 . 2 1 1 A 10 10 CYS N N 10 126.595 126.823 -0.228 1
1 111 . 2 1 1 A 11 11 VAL H H 11 8.926 9.159 -0.233 1
1 112 . 2 1 1 A 11 11 VAL HA H 11 4.351 4.651 -0.300 1
1 120 . 2 1 1 A 11 11 VAL C C 11 172.010 175.307 -3.297 1
1 121 . 2 1 1 A 11 11 VAL CA C 11 60.857 59.874 0.983 1
1 122 . 2 1 1 A 11 11 VAL CB C 11 33.989 33.858 0.131 1
1 125 . 2 1 1 A 11 11 VAL N N 11 119.765 124.484 -4.719 1
1 126 . 2 1 1 A 12 12 LYS H H 12 8.961 8.179 0.782 1
1 127 . 2 1 1 A 12 12 LYS HA H 12 4.510 4.414 0.096 1
1 136 . 2 1 1 A 12 12 LYS C C 12 175.625 176.560 -0.935 1
1 137 . 2 1 1 A 12 12 LYS CA C 12 56.422 56.023 0.399 1
1 138 . 2 1 1 A 12 12 LYS CB C 12 32.726 31.222 1.504 1
1 142 . 2 1 1 A 12 12 LYS N N 12 127.967 123.712 4.255 1
1 143 . 2 1 1 A 13 13 VAL H H 13 8.522 8.105 0.417 1
1 144 . 2 1 1 A 13 13 VAL HA H 13 4.518 3.536 0.982 1
1 152 . 2 1 1 A 13 13 VAL C C 13 176.284 176.282 0.002 1
1 153 . 2 1 1 A 13 13 VAL CA C 13 61.492 66.906 -5.414 1
1 154 . 2 1 1 A 13 13 VAL CB C 13 32.089 31.606 0.483 1
1 157 . 2 1 1 A 13 13 VAL N N 13 118.593 124.904 -6.311 1
1 158 . 2 1 1 A 14 14 LYS H H 14 7.310 8.091 -0.781 1
1 159 . 2 1 1 A 14 14 LYS HA H 14 4.580 3.924 0.656 1
1 168 . 2 1 1 A 14 14 LYS C C 14 174.043 176.486 -2.443 1
1 169 . 2 1 1 A 14 14 LYS CA C 14 54.090 58.519 -4.429 1
1 170 . 2 1 1 A 14 14 LYS CB C 14 36.489 32.250 4.239 1
1 174 . 2 1 1 A 14 14 LYS N N 14 117.809 121.665 -3.856 1
1 175 . 2 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 2 1 1 A 15 15 GLY HA2 H 15 4.264 3.937 0.327 1
1 177 . 2 1 1 A 15 15 GLY HA3 H 15 3.845 3.956 -0.111 1
1 178 . 2 1 1 A 15 15 GLY C C 15 175.166 174.717 0.449 1
1 179 . 2 1 1 A 15 15 GLY CA C 15 43.993 45.891 -1.898 1
1 180 . 2 1 1 A 15 15 GLY N N 15 108.732 106.510 2.222 1
1 181 . 2 1 1 A 16 16 ARG H H 16 8.618 8.537 0.081 1
1 182 . 2 1 1 A 16 16 ARG HA H 16 4.082 4.448 -0.366 1
1 189 . 2 1 1 A 16 16 ARG C C 16 174.254 175.593 -1.339 1
1 190 . 2 1 1 A 16 16 ARG CA C 16 57.950 55.744 2.206 1
1 191 . 2 1 1 A 16 16 ARG CB C 16 29.776 31.719 -1.943 1
1 194 . 2 1 1 A 16 16 ARG N N 16 120.561 122.026 -1.465 1
1 195 . 2 1 1 A 17 17 GLU H H 17 8.935 7.611 1.324 1
1 196 . 2 1 1 A 17 17 GLU HA H 17 4.190 4.753 -0.563 1
1 201 . 2 1 1 A 17 17 GLU C C 17 177.426 176.005 1.421 1
1 202 . 2 1 1 A 17 17 GLU CA C 17 55.386 55.010 0.376 1
1 203 . 2 1 1 A 17 17 GLU CB C 17 27.412 31.666 -4.254 1
1 205 . 2 1 1 A 17 17 GLU N N 17 115.930 120.842 -4.912 1
1 206 . 2 1 1 A 18 18 ALA H H 18 7.267 8.629 -1.362 1
1 207 . 2 1 1 A 18 18 ALA HA H 18 3.737 5.203 -1.466 1
1 211 . 2 1 1 A 18 18 ALA C C 18 174.969 177.960 -2.991 1
1 212 . 2 1 1 A 18 18 ALA CA C 18 53.272 50.984 2.288 1
1 213 . 2 1 1 A 18 18 ALA CB C 18 17.382 19.649 -2.267 1
1 214 . 2 1 1 A 18 18 ALA N N 18 120.485 129.590 -9.105 1
1 215 . 2 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 2 1 1 A 19 19 GLY HA2 H 19 4.680 3.864 0.816 1
1 217 . 2 1 1 A 19 19 GLY HA3 H 19 3.451 3.871 -0.420 1
1 218 . 2 1 1 A 19 19 GLY C C 19 178.386 172.970 5.416 1
1 219 . 2 1 1 A 19 19 GLY CA C 19 44.905 45.858 -0.953 1
1 220 . 2 1 1 A 19 19 GLY N N 19 112.194 107.485 4.709 1
1 221 . 2 1 1 A 20 20 SER H H 20 8.162 7.572 0.590 1
1 222 . 2 1 1 A 20 20 SER HA H 20 4.861 5.017 -0.156 1
1 225 . 2 1 1 A 20 20 SER C C 20 173.441 172.433 1.008 1
1 226 . 2 1 1 A 20 20 SER CA C 20 58.253 57.517 0.736 1
1 227 . 2 1 1 A 20 20 SER CB C 20 64.447 67.057 -2.610 1
1 228 . 2 1 1 A 20 20 SER N N 20 115.207 114.249 0.958 1
1 229 . 2 1 1 A 21 21 LYS H H 21 8.836 8.605 0.231 1
1 230 . 2 1 1 A 21 21 LYS HA H 21 5.369 5.008 0.361 1
1 239 . 2 1 1 A 21 21 LYS C C 21 172.859 175.140 -2.281 1
1 240 . 2 1 1 A 21 21 LYS CA C 21 55.508 54.553 0.955 1
1 241 . 2 1 1 A 21 21 LYS CB C 21 34.795 35.834 -1.039 1
1 245 . 2 1 1 A 21 21 LYS N N 21 121.269 122.642 -1.373 1
1 246 . 2 1 1 A 22 22 CYS H H 22 8.905 9.280 -0.375 1
1 247 . 2 1 1 A 22 22 CYS HA H 22 5.527 5.339 0.188 1
1 250 . 2 1 1 A 22 22 CYS C C 22 174.204 173.104 1.100 1
1 251 . 2 1 1 A 22 22 CYS CA C 22 55.584 57.405 -1.821 1
1 252 . 2 1 1 A 22 22 CYS CB C 22 30.941 31.537 -0.596 1
1 253 . 2 1 1 A 22 22 CYS N N 22 110.073 120.499 -10.426 1
1 254 . 2 1 1 A 23 23 VAL H H 23 9.325 8.983 0.342 1
1 255 . 2 1 1 A 23 23 VAL HA H 23 4.761 4.735 0.026 1
1 263 . 2 1 1 A 23 23 VAL C C 23 171.121 175.286 -4.165 1
1 264 . 2 1 1 A 23 23 VAL CA C 23 60.552 61.045 -0.493 1
1 265 . 2 1 1 A 23 23 VAL CB C 23 35.141 33.828 1.313 1
1 268 . 2 1 1 A 23 23 VAL N N 23 119.042 122.425 -3.383 1
1 269 . 2 1 1 A 24 24 ILE H H 24 8.239 8.731 -0.492 1
1 270 . 2 1 1 A 24 24 ILE HA H 24 4.239 4.198 0.041 1
1 280 . 2 1 1 A 24 24 ILE C C 24 175.805 176.544 -0.739 1
1 281 . 2 1 1 A 24 24 ILE CA C 24 62.552 61.470 1.082 1
1 282 . 2 1 1 A 24 24 ILE CB C 24 36.819 36.776 0.043 1
1 286 . 2 1 1 A 24 24 ILE N N 24 124.259 127.306 -3.047 1
1 287 . 2 1 1 A 25 25 VAL H H 25 9.205 8.446 0.759 1
1 288 . 2 1 1 A 25 25 VAL HA H 25 4.689 4.325 0.364 1
1 296 . 2 1 1 A 25 25 VAL C C 25 175.650 175.376 0.274 1
1 297 . 2 1 1 A 25 25 VAL CA C 25 60.947 62.181 -1.234 1
1 298 . 2 1 1 A 25 25 VAL CB C 25 32.986 32.957 0.029 1
1 301 . 2 1 1 A 25 25 VAL N N 25 121.805 122.732 -0.927 1
1 302 . 2 1 1 A 26 26 ASP H H 26 8.103 7.536 0.567 1
1 303 . 2 1 1 A 26 26 ASP HA H 26 4.771 5.157 -0.386 1
1 306 . 2 1 1 A 26 26 ASP C C 26 174.343 173.744 0.599 1
1 307 . 2 1 1 A 26 26 ASP CA C 26 53.671 53.424 0.247 1
1 308 . 2 1 1 A 26 26 ASP CB C 26 43.563 44.453 -0.890 1
1 309 . 2 1 1 A 26 26 ASP N N 26 118.459 120.301 -1.842 1
1 310 . 2 1 1 A 27 27 ILE H H 27 9.092 8.967 0.125 1
1 311 . 2 1 1 A 27 27 ILE HA H 27 4.273 4.403 -0.130 1
1 321 . 2 1 1 A 27 27 ILE C C 27 173.976 175.639 -1.663 1
1 322 . 2 1 1 A 27 27 ILE CA C 27 60.306 61.017 -0.711 1
1 323 . 2 1 1 A 27 27 ILE CB C 27 38.339 38.148 0.191 1
1 327 . 2 1 1 A 27 27 ILE N N 27 124.375 125.923 -1.548 1
1 328 . 2 1 1 A 28 28 ILE H H 28 8.055 8.505 -0.450 1
1 329 . 2 1 1 A 28 28 ILE HA H 28 3.986 4.100 -0.114 1
1 339 . 2 1 1 A 28 28 ILE C C 28 174.733 175.610 -0.877 1
1 340 . 2 1 1 A 28 28 ILE CA C 28 62.414 63.044 -0.630 1
1 341 . 2 1 1 A 28 28 ILE CB C 28 37.450 38.490 -1.040 1
1 345 . 2 1 1 A 28 28 ILE N N 28 127.525 129.379 -1.854 1
1 346 . 2 1 1 A 29 29 ASP H H 29 8.438 8.531 -0.093 1
1 347 . 2 1 1 A 29 29 ASP HA H 29 4.522 4.942 -0.420 1
1 350 . 2 1 1 A 29 29 ASP C C 29 175.289 175.798 -0.509 1
1 351 . 2 1 1 A 29 29 ASP CA C 29 53.316 52.711 0.605 1
1 352 . 2 1 1 A 29 29 ASP CB C 29 39.450 43.635 -4.185 1
1 353 . 2 1 1 A 29 29 ASP N N 29 118.886 117.743 1.143 1
1 354 . 2 1 1 A 30 30 ASP H H 30 8.140 8.684 -0.544 1
1 355 . 2 1 1 A 30 30 ASP HA H 30 4.375 4.281 0.094 1
1 358 . 2 1 1 A 30 30 ASP C C 30 174.332 177.808 -3.476 1
1 359 . 2 1 1 A 30 30 ASP CA C 30 56.171 57.428 -1.257 1
1 360 . 2 1 1 A 30 30 ASP CB C 30 40.302 41.365 -1.063 1
1 361 . 2 1 1 A 30 30 ASP N N 30 112.219 123.071 -10.852 1
1 362 . 2 1 1 A 31 31 ASN H H 31 8.866 7.642 1.224 1
1 363 . 2 1 1 A 31 31 ASN HA H 31 4.805 4.754 0.051 1
1 366 . 2 1 1 A 31 31 ASN C C 31 175.926 175.534 0.392 1
1 367 . 2 1 1 A 31 31 ASN CA C 31 54.015 53.854 0.161 1
1 368 . 2 1 1 A 31 31 ASN CB C 31 42.366 40.183 2.183 1
1 369 . 2 1 1 A 31 31 ASN N N 31 114.650 114.798 -0.148 1
1 370 . 2 1 1 A 32 32 PHE H H 32 8.481 7.624 0.857 1
1 371 . 2 1 1 A 32 32 PHE HA H 32 5.279 4.506 0.773 1
1 376 . 2 1 1 A 32 32 PHE C C 32 173.451 175.338 -1.887 1
1 377 . 2 1 1 A 32 32 PHE CA C 32 57.629 58.406 -0.777 1
1 378 . 2 1 1 A 32 32 PHE CB C 32 42.418 38.652 3.766 1
1 379 . 2 1 1 A 32 32 PHE N N 32 117.648 118.723 -1.075 1
1 380 . 2 1 1 A 33 33 VAL H H 33 8.680 9.107 -0.427 1
1 381 . 2 1 1 A 33 33 VAL HA H 33 4.720 5.055 -0.335 1
1 389 . 2 1 1 A 33 33 VAL C C 33 174.458 173.617 0.841 1
1 390 . 2 1 1 A 33 33 VAL CA C 33 58.331 59.141 -0.810 1
1 391 . 2 1 1 A 33 33 VAL CB C 33 34.410 35.233 -0.823 1
1 394 . 2 1 1 A 33 33 VAL N N 33 110.814 118.516 -7.702 1
1 395 . 2 1 1 A 34 34 LEU H H 34 8.696 8.992 -0.296 1
1 396 . 2 1 1 A 34 34 LEU HA H 34 4.871 5.161 -0.290 1
1 406 . 2 1 1 A 34 34 LEU C C 34 172.716 175.826 -3.110 1
1 407 . 2 1 1 A 34 34 LEU CA C 34 53.776 53.516 0.260 1
1 408 . 2 1 1 A 34 34 LEU CB C 34 44.582 44.338 0.244 1
1 412 . 2 1 1 A 34 34 LEU N N 34 123.160 124.864 -1.704 1
1 413 . 2 1 1 A 35 35 VAL H H 35 8.460 9.130 -0.670 1
1 414 . 2 1 1 A 35 35 VAL HA H 35 5.674 5.268 0.406 1
1 422 . 2 1 1 A 35 35 VAL C C 35 176.009 174.581 1.428 1
1 423 . 2 1 1 A 35 35 VAL CA C 35 57.423 59.809 -2.386 1
1 424 . 2 1 1 A 35 35 VAL CB C 35 35.541 34.261 1.280 1
1 427 . 2 1 1 A 35 35 VAL N N 35 119.184 122.189 -3.005 1
1 428 . 2 1 1 A 36 36 THR H H 36 8.362 8.553 -0.191 1
1 429 . 2 1 1 A 36 36 THR HA H 36 4.535 4.697 -0.162 1
1 434 . 2 1 1 A 36 36 THR C C 36 173.498 172.366 1.132 1
1 435 . 2 1 1 A 36 36 THR CA C 36 59.643 60.046 -0.403 1
1 436 . 2 1 1 A 36 36 THR CB C 36 70.439 69.930 0.509 1
1 438 . 2 1 1 A 36 36 THR N N 36 109.151 116.934 -7.783 1
1 439 . 2 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 2 1 1 A 37 37 GLY C C 37 172.460 172.122 0.338 1
1 441 . 2 1 1 A 37 37 GLY CA C 37 51.421 43.803 7.618 1
1 442 . 2 1 1 A 37 37 GLY N N 37 115.474 111.437 4.037 1
1 443 . 2 1 1 A 38 38 PRO HA H 38 5.235 4.457 0.778 1
1 450 . 2 1 1 A 38 38 PRO CA C 38 60.459 63.319 -2.860 1
1 451 . 2 1 1 A 38 38 PRO CB C 38 35.517 32.012 3.505 1
1 454 . 2 1 1 A 39 39 LYS H H 39 9.463 8.371 1.092 1
1 455 . 2 1 1 A 39 39 LYS HA H 39 3.545 3.977 -0.432 1
1 464 . 2 1 1 A 39 39 LYS C C 39 179.019 177.304 1.715 1
1 465 . 2 1 1 A 39 39 LYS CA C 39 60.344 58.744 1.600 1
1 466 . 2 1 1 A 39 39 LYS CB C 39 31.826 31.835 -0.009 1
1 470 . 2 1 1 A 39 39 LYS N N 39 127.869 122.825 5.044 1
1 471 . 2 1 1 A 40 40 ASP H H 40 9.035 8.063 0.972 1
1 472 . 2 1 1 A 40 40 ASP HA H 40 4.375 4.660 -0.285 1
1 475 . 2 1 1 A 40 40 ASP C C 40 177.615 176.910 0.705 1
1 476 . 2 1 1 A 40 40 ASP CA C 40 55.080 53.972 1.108 1
1 477 . 2 1 1 A 40 40 ASP CB C 40 39.209 41.239 -2.030 1
1 478 . 2 1 1 A 40 40 ASP N N 40 115.744 118.881 -3.137 1
1 479 . 2 1 1 A 41 41 ILE H H 41 7.739 7.583 0.156 1
1 480 . 2 1 1 A 41 41 ILE HA H 41 4.218 4.265 -0.047 1
1 490 . 2 1 1 A 41 41 ILE C C 41 174.826 176.983 -2.157 1
1 491 . 2 1 1 A 41 41 ILE CA C 41 61.664 62.685 -1.021 1
1 492 . 2 1 1 A 41 41 ILE CB C 41 37.453 39.184 -1.731 1
1 496 . 2 1 1 A 41 41 ILE N N 41 116.447 117.831 -1.384 1
1 497 . 2 1 1 A 42 42 THR H H 42 7.766 7.597 0.169 1
1 498 . 2 1 1 A 42 42 THR HA H 42 4.734 4.170 0.564 1
1 503 . 2 1 1 A 42 42 THR C C 42 175.827 175.285 0.542 1
1 504 . 2 1 1 A 42 42 THR CA C 42 60.110 64.677 -4.567 1
1 505 . 2 1 1 A 42 42 THR CB C 42 71.791 69.285 2.506 1
1 507 . 2 1 1 A 42 42 THR N N 42 104.054 114.559 -10.505 1
1 508 . 2 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 2 1 1 A 43 43 GLY HA2 H 43 4.461 3.944 0.517 1
1 510 . 2 1 1 A 43 43 GLY HA3 H 43 3.836 3.946 -0.110 1
1 511 . 2 1 1 A 43 43 GLY C C 43 175.208 174.600 0.608 1
1 512 . 2 1 1 A 43 43 GLY CA C 43 44.826 46.322 -1.496 1
1 513 . 2 1 1 A 43 43 GLY N N 43 109.006 109.323 -0.317 1
1 514 . 2 1 1 A 44 44 VAL H H 44 7.289 8.032 -0.743 1
1 515 . 2 1 1 A 44 44 VAL HA H 44 3.945 4.054 -0.109 1
1 523 . 2 1 1 A 44 44 VAL C C 44 173.149 175.208 -2.059 1
1 524 . 2 1 1 A 44 44 VAL CA C 44 62.902 62.399 0.503 1
1 525 . 2 1 1 A 44 44 VAL CB C 44 31.715 32.060 -0.345 1
1 528 . 2 1 1 A 44 44 VAL N N 44 120.903 121.107 -0.204 1
1 529 . 2 1 1 A 45 45 LYS H H 45 8.308 8.387 -0.079 1
1 530 . 2 1 1 A 45 45 LYS HA H 45 4.190 4.168 0.022 1
1 539 . 2 1 1 A 45 45 LYS C C 45 175.177 176.066 -0.889 1
1 540 . 2 1 1 A 45 45 LYS CA C 45 56.355 56.486 -0.131 1
1 541 . 2 1 1 A 45 45 LYS CB C 45 33.385 32.563 0.822 1
1 545 . 2 1 1 A 45 45 LYS N N 45 128.406 126.532 1.874 1
1 546 . 2 1 1 A 46 46 ARG H H 46 8.080 8.334 -0.254 1
1 547 . 2 1 1 A 46 46 ARG HA H 46 5.720 4.715 1.005 1
1 554 . 2 1 1 A 46 46 ARG C C 46 173.780 175.676 -1.896 1
1 555 . 2 1 1 A 46 46 ARG CA C 46 54.888 56.055 -1.167 1
1 556 . 2 1 1 A 46 46 ARG CB C 46 29.630 30.761 -1.131 1
1 559 . 2 1 1 A 46 46 ARG N N 46 120.129 121.343 -1.214 1
1 560 . 2 1 1 A 47 47 ARG H H 47 8.452 8.657 -0.205 1
1 561 . 2 1 1 A 47 47 ARG HA H 47 4.732 4.995 -0.263 1
1 568 . 2 1 1 A 47 47 ARG C C 47 176.138 174.612 1.526 1
1 569 . 2 1 1 A 47 47 ARG CA C 47 54.319 54.283 0.036 1
1 570 . 2 1 1 A 47 47 ARG CB C 47 33.746 33.686 0.060 1
1 573 . 2 1 1 A 47 47 ARG N N 47 126.780 120.057 6.723 1
1 574 . 2 1 1 A 48 48 ARG H H 48 8.546 8.346 0.200 1
1 575 . 2 1 1 A 48 48 ARG HA H 48 5.111 5.026 0.085 1
1 582 . 2 1 1 A 48 48 ARG C C 48 174.339 175.624 -1.285 1
1 583 . 2 1 1 A 48 48 ARG CA C 48 55.524 55.825 -0.301 1
1 584 . 2 1 1 A 48 48 ARG CB C 48 31.132 31.048 0.084 1
1 587 . 2 1 1 A 48 48 ARG N N 48 121.931 119.530 2.401 1
1 588 . 2 1 1 A 49 49 VAL H H 49 9.485 9.127 0.358 1
1 589 . 2 1 1 A 49 49 VAL HA H 49 4.651 4.767 -0.116 1
1 597 . 2 1 1 A 49 49 VAL C C 49 176.112 175.623 0.489 1
1 598 . 2 1 1 A 49 49 VAL CA C 49 60.040 60.446 -0.406 1
1 599 . 2 1 1 A 49 49 VAL CB C 49 36.427 35.587 0.840 1
1 602 . 2 1 1 A 49 49 VAL N N 49 122.891 122.642 0.249 1
1 603 . 2 1 1 A 50 50 ASN H H 50 8.569 8.357 0.212 1
1 604 . 2 1 1 A 50 50 ASN HA H 50 4.213 5.166 -0.953 1
1 607 . 2 1 1 A 50 50 ASN C C 50 173.258 174.971 -1.713 1
1 608 . 2 1 1 A 50 50 ASN CA C 50 52.732 51.907 0.825 1
1 609 . 2 1 1 A 50 50 ASN CB C 50 38.173 37.310 0.863 1
1 610 . 2 1 1 A 50 50 ASN N N 50 125.736 120.497 5.239 1
1 611 . 2 1 1 A 51 51 ILE H H 51 8.601 8.002 0.599 1
1 612 . 2 1 1 A 51 51 ILE HA H 51 3.632 3.819 -0.187 1
1 622 . 2 1 1 A 51 51 ILE C C 51 176.785 176.092 0.693 1
1 623 . 2 1 1 A 51 51 ILE CA C 51 65.046 62.343 2.703 1
1 624 . 2 1 1 A 51 51 ILE CB C 51 38.532 35.019 3.513 1
1 628 . 2 1 1 A 51 51 ILE N N 51 126.454 114.948 11.506 1
1 629 . 2 1 1 A 52 52 LEU H H 52 8.448 7.696 0.752 1
1 630 . 2 1 1 A 52 52 LEU HA H 52 4.290 3.903 0.387 1
1 640 . 2 1 1 A 52 52 LEU C C 52 176.765 177.330 -0.565 1
1 641 . 2 1 1 A 52 52 LEU CA C 52 55.880 57.976 -2.096 1
1 642 . 2 1 1 A 52 52 LEU CB C 52 40.983 41.921 -0.938 1
1 646 . 2 1 1 A 52 52 LEU N N 52 118.365 122.982 -4.617 1
1 647 . 2 1 1 A 53 53 HIS H H 53 8.358 7.839 0.519 1
1 648 . 2 1 1 A 53 53 HIS HA H 53 4.621 4.760 -0.139 1
1 651 . 2 1 1 A 53 53 HIS C C 53 178.018 173.837 4.181 1
1 652 . 2 1 1 A 53 53 HIS CA C 53 53.996 55.260 -1.264 1
1 653 . 2 1 1 A 53 53 HIS CB C 53 30.306 30.062 0.244 1
1 654 . 2 1 1 A 53 53 HIS N N 53 116.672 114.332 2.340 1
1 655 . 2 1 1 A 54 54 LEU H H 54 7.693 7.262 0.431 1
1 656 . 2 1 1 A 54 54 LEU HA H 54 5.222 5.105 0.117 1
1 666 . 2 1 1 A 54 54 LEU C C 54 173.609 175.774 -2.165 1
1 667 . 2 1 1 A 54 54 LEU CA C 54 52.932 53.207 -0.275 1
1 668 . 2 1 1 A 54 54 LEU CB C 54 45.943 45.550 0.393 1
1 672 . 2 1 1 A 54 54 LEU N N 54 119.311 120.394 -1.083 1
1 673 . 2 1 1 A 55 55 GLU H H 55 9.073 8.407 0.666 1
1 674 . 2 1 1 A 55 55 GLU C C 55 175.102 173.885 1.217 1
1 675 . 2 1 1 A 55 55 GLU CA C 55 52.073 53.470 -1.397 1
1 676 . 2 1 1 A 55 55 GLU CB C 55 31.958 33.664 -1.706 1
1 677 . 2 1 1 A 55 55 GLU N N 55 120.139 121.767 -1.628 1
1 678 . 2 1 1 A 56 56 PRO HA H 56 4.903 4.780 0.123 1
1 685 . 2 1 1 A 56 56 PRO CA C 56 63.121 63.213 -0.092 1
1 686 . 2 1 1 A 56 56 PRO CB C 56 32.274 31.748 0.526 1
1 689 . 2 1 1 A 57 57 THR H H 57 8.502 8.636 -0.134 1
1 690 . 2 1 1 A 57 57 THR HA H 57 4.932 4.829 0.103 1
1 695 . 2 1 1 A 57 57 THR C C 57 175.894 174.122 1.772 1
1 696 . 2 1 1 A 57 57 THR CA C 57 60.602 59.946 0.656 1
1 697 . 2 1 1 A 57 57 THR CB C 57 71.821 71.870 -0.049 1
1 699 . 2 1 1 A 57 57 THR N N 57 113.388 113.123 0.265 1
1 700 . 2 1 1 A 58 58 ASP H H 58 8.605 8.745 -0.140 1
1 701 . 2 1 1 A 58 58 ASP HA H 58 4.445 4.497 -0.052 1
1 704 . 2 1 1 A 58 58 ASP C C 58 173.673 175.104 -1.431 1
1 705 . 2 1 1 A 58 58 ASP CA C 58 53.743 54.917 -1.174 1
1 706 . 2 1 1 A 58 58 ASP CB C 58 39.622 40.343 -0.721 1
1 707 . 2 1 1 A 58 58 ASP N N 58 115.340 120.750 -5.410 1
1 708 . 2 1 1 A 59 59 LYS H H 59 8.544 8.420 0.124 1
1 709 . 2 1 1 A 59 59 LYS HA H 59 4.646 4.333 0.313 1
1 718 . 2 1 1 A 59 59 LYS C C 59 174.972 176.439 -1.467 1
1 719 . 2 1 1 A 59 59 LYS CA C 59 54.336 56.547 -2.211 1
1 720 . 2 1 1 A 59 59 LYS CB C 59 34.626 33.207 1.419 1
1 724 . 2 1 1 A 59 59 LYS N N 59 119.488 121.824 -2.336 1
1 725 . 2 1 1 A 60 60 LYS H H 60 8.227 9.026 -0.799 1
1 726 . 2 1 1 A 60 60 LYS HA H 60 4.999 5.081 -0.082 1
1 735 . 2 1 1 A 60 60 LYS C C 60 174.256 175.239 -0.983 1
1 736 . 2 1 1 A 60 60 LYS CA C 60 54.465 54.579 -0.114 1
1 737 . 2 1 1 A 60 60 LYS CB C 60 36.153 35.938 0.215 1
1 741 . 2 1 1 A 60 60 LYS N N 60 121.112 119.062 2.050 1
1 742 . 2 1 1 A 61 61 ILE H H 61 8.527 8.011 0.516 1
1 743 . 2 1 1 A 61 61 ILE HA H 61 4.724 4.556 0.168 1
1 753 . 2 1 1 A 61 61 ILE C C 61 174.330 174.338 -0.008 1
1 754 . 2 1 1 A 61 61 ILE CA C 61 58.831 60.491 -1.660 1
1 755 . 2 1 1 A 61 61 ILE CB C 61 41.357 38.704 2.653 1
1 759 . 2 1 1 A 61 61 ILE N N 61 116.027 119.277 -3.250 1
1 760 . 2 1 1 A 62 62 ASP H H 62 8.513 8.836 -0.323 1
1 761 . 2 1 1 A 62 62 ASP HA H 62 4.732 4.822 -0.090 1
1 764 . 2 1 1 A 62 62 ASP C C 62 174.224 175.361 -1.137 1
1 765 . 2 1 1 A 62 62 ASP CA C 62 53.163 53.353 -0.190 1
1 766 . 2 1 1 A 62 62 ASP CB C 62 39.686 40.360 -0.674 1
1 767 . 2 1 1 A 62 62 ASP N N 62 121.643 126.393 -4.750 1
1 768 . 2 1 1 A 63 63 ILE H H 63 7.389 8.299 -0.910 1
1 769 . 2 1 1 A 63 63 ILE HA H 63 4.641 5.207 -0.566 1
1 779 . 2 1 1 A 63 63 ILE C C 63 174.484 174.921 -0.437 1
1 780 . 2 1 1 A 63 63 ILE CA C 63 58.244 58.525 -0.281 1
1 781 . 2 1 1 A 63 63 ILE CB C 63 41.811 41.885 -0.074 1
1 785 . 2 1 1 A 63 63 ILE N N 63 114.509 121.374 -6.865 1
1 786 . 2 1 1 A 64 64 GLN H H 64 8.529 8.254 0.275 1
1 787 . 2 1 1 A 64 64 GLN HA H 64 4.390 4.705 -0.315 1
1 792 . 2 1 1 A 64 64 GLN C C 64 174.409 175.289 -0.880 1
1 793 . 2 1 1 A 64 64 GLN CA C 64 53.860 54.881 -1.021 1
1 794 . 2 1 1 A 64 64 GLN CB C 64 30.086 30.307 -0.221 1
1 796 . 2 1 1 A 64 64 GLN N N 64 119.145 120.646 -1.501 1
1 797 . 2 1 1 A 65 65 LYS H H 65 8.323 8.600 -0.277 1
1 798 . 2 1 1 A 65 65 LYS HA H 65 4.132 3.980 0.152 1
1 807 . 2 1 1 A 65 65 LYS C C 65 174.920 177.319 -2.399 1
1 808 . 2 1 1 A 65 65 LYS CA C 65 57.603 58.211 -0.608 1
1 809 . 2 1 1 A 65 65 LYS CB C 65 32.341 32.053 0.288 1
1 813 . 2 1 1 A 65 65 LYS N N 65 119.780 123.762 -3.982 1
1 814 . 2 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 2 1 1 A 66 66 GLY HA2 H 66 4.093 4.042 0.051 1
1 816 . 2 1 1 A 66 66 GLY HA3 H 66 3.297 4.042 -0.745 1
1 817 . 2 1 1 A 66 66 GLY C C 66 177.892 174.659 3.233 1
1 818 . 2 1 1 A 66 66 GLY CA C 66 44.953 45.237 -0.284 1
1 819 . 2 1 1 A 66 66 GLY N N 66 112.449 114.849 -2.400 1
1 820 . 2 1 1 A 67 67 ALA H H 67 7.545 8.022 -0.477 1
1 821 . 2 1 1 A 67 67 ALA HA H 67 4.081 4.817 -0.736 1
1 825 . 2 1 1 A 67 67 ALA C C 67 173.517 177.175 -3.658 1
1 826 . 2 1 1 A 67 67 ALA CA C 67 52.802 52.064 0.738 1
1 827 . 2 1 1 A 67 67 ALA CB C 67 20.424 20.025 0.399 1
1 828 . 2 1 1 A 67 67 ALA N N 67 121.516 124.123 -2.607 1
1 829 . 2 1 1 A 68 68 SER H H 68 8.904 8.927 -0.023 1
1 830 . 2 1 1 A 68 68 SER HA H 68 4.261 4.635 -0.374 1
1 833 . 2 1 1 A 68 68 SER C C 68 177.019 175.350 1.669 1
1 834 . 2 1 1 A 68 68 SER CA C 68 57.321 57.618 -0.297 1
1 835 . 2 1 1 A 68 68 SER CB C 68 65.064 64.930 0.134 1
1 836 . 2 1 1 A 68 68 SER N N 68 119.470 117.442 2.028 1
1 837 . 2 1 1 A 69 69 ASP H H 69 9.379 9.034 0.345 1
1 838 . 2 1 1 A 69 69 ASP HA H 69 4.184 4.258 -0.074 1
1 841 . 2 1 1 A 69 69 ASP C C 69 173.831 177.826 -3.995 1
1 842 . 2 1 1 A 69 69 ASP CA C 69 57.843 57.998 -0.155 1
1 843 . 2 1 1 A 69 69 ASP CB C 69 39.367 41.203 -1.836 1
1 844 . 2 1 1 A 69 69 ASP N N 69 122.205 125.226 -3.021 1
1 845 . 2 1 1 A 70 70 GLU H H 70 8.454 8.433 0.021 1
1 846 . 2 1 1 A 70 70 GLU HA H 70 3.966 4.047 -0.081 1
1 851 . 2 1 1 A 70 70 GLU C C 70 177.979 178.760 -0.781 1
1 852 . 2 1 1 A 70 70 GLU CA C 70 59.987 59.644 0.343 1
1 853 . 2 1 1 A 70 70 GLU CB C 70 28.804 29.071 -0.267 1
1 855 . 2 1 1 A 70 70 GLU N N 70 118.426 118.867 -0.441 1
1 856 . 2 1 1 A 71 71 GLU H H 71 7.835 8.026 -0.191 1
1 857 . 2 1 1 A 71 71 GLU HA H 71 4.050 4.072 -0.022 1
1 862 . 2 1 1 A 71 71 GLU C C 71 178.486 179.158 -0.672 1
1 863 . 2 1 1 A 71 71 GLU CA C 71 58.998 59.218 -0.220 1
1 864 . 2 1 1 A 71 71 GLU CB C 71 29.068 29.638 -0.570 1
1 866 . 2 1 1 A 71 71 GLU N N 71 122.166 119.498 2.668 1
1 867 . 2 1 1 A 72 72 VAL H H 72 8.387 8.534 -0.147 1
1 868 . 2 1 1 A 72 72 VAL HA H 72 3.295 3.504 -0.209 1
1 876 . 2 1 1 A 72 72 VAL C C 72 178.603 177.703 0.900 1
1 877 . 2 1 1 A 72 72 VAL CA C 72 66.989 67.228 -0.239 1
1 878 . 2 1 1 A 72 72 VAL CB C 72 31.242 31.461 -0.219 1
1 881 . 2 1 1 A 72 72 VAL N N 72 118.871 119.303 -0.432 1
1 882 . 2 1 1 A 73 73 LYS H H 73 8.619 7.807 0.812 1
1 883 . 2 1 1 A 73 73 LYS HA H 73 3.734 4.043 -0.309 1
1 892 . 2 1 1 A 73 73 LYS C C 73 177.118 179.423 -2.305 1
1 893 . 2 1 1 A 73 73 LYS CA C 73 60.695 59.568 1.127 1
1 894 . 2 1 1 A 73 73 LYS CB C 73 32.320 32.136 0.184 1
1 898 . 2 1 1 A 73 73 LYS N N 73 118.351 118.494 -0.143 1
1 899 . 2 1 1 A 74 74 LYS H H 74 7.886 8.376 -0.490 1
1 900 . 2 1 1 A 74 74 LYS HA H 74 4.133 3.986 0.147 1
1 909 . 2 1 1 A 74 74 LYS C C 74 178.306 179.005 -0.699 1
1 910 . 2 1 1 A 74 74 LYS CA C 74 58.954 59.547 -0.593 1
1 911 . 2 1 1 A 74 74 LYS CB C 74 31.974 32.272 -0.298 1
1 915 . 2 1 1 A 74 74 LYS N N 74 118.808 120.674 -1.866 1
1 916 . 2 1 1 A 75 75 LYS H H 75 8.118 7.741 0.377 1
1 917 . 2 1 1 A 75 75 LYS HA H 75 4.228 4.011 0.217 1
1 926 . 2 1 1 A 75 75 LYS C C 75 178.795 179.593 -0.798 1
1 927 . 2 1 1 A 75 75 LYS CA C 75 57.158 59.282 -2.124 1
1 928 . 2 1 1 A 75 75 LYS CB C 75 31.382 32.173 -0.791 1
1 932 . 2 1 1 A 75 75 LYS N N 75 118.374 118.431 -0.057 1
1 933 . 2 1 1 A 76 76 LEU H H 76 8.778 8.627 0.151 1
1 934 . 2 1 1 A 76 76 LEU HA H 76 3.931 4.024 -0.093 1
1 944 . 2 1 1 A 76 76 LEU C C 76 180.241 179.426 0.815 1
1 945 . 2 1 1 A 76 76 LEU CA C 76 58.203 57.606 0.597 1
1 946 . 2 1 1 A 76 76 LEU CB C 76 42.015 40.896 1.119 1
1 950 . 2 1 1 A 76 76 LEU N N 76 121.253 119.982 1.271 1
1 951 . 2 1 1 A 77 77 GLU H H 77 7.951 8.292 -0.341 1
1 952 . 2 1 1 A 77 77 GLU HA H 77 4.227 3.975 0.252 1
1 957 . 2 1 1 A 77 77 GLU C C 77 178.403 179.284 -0.881 1
1 958 . 2 1 1 A 77 77 GLU CA C 77 58.892 59.390 -0.498 1
1 959 . 2 1 1 A 77 77 GLU CB C 77 28.925 29.405 -0.480 1
1 961 . 2 1 1 A 77 77 GLU N N 77 119.306 120.480 -1.174 1
1 962 . 2 1 1 A 78 78 GLU H H 78 8.595 7.953 0.642 1
1 963 . 2 1 1 A 78 78 GLU HA H 78 4.099 4.032 0.067 1
1 968 . 2 1 1 A 78 78 GLU C C 78 180.586 178.302 2.284 1
1 969 . 2 1 1 A 78 78 GLU CA C 78 58.850 59.345 -0.495 1
1 970 . 2 1 1 A 78 78 GLU CB C 78 29.878 29.375 0.503 1
1 972 . 2 1 1 A 78 78 GLU N N 78 120.814 119.106 1.708 1
1 973 . 2 1 1 A 79 79 SER H H 79 7.519 7.818 -0.299 1
1 974 . 2 1 1 A 79 79 SER HA H 79 4.592 4.498 0.094 1
1 977 . 2 1 1 A 79 79 SER C C 79 177.761 174.235 3.526 1
1 978 . 2 1 1 A 79 79 SER CA C 79 58.324 59.106 -0.782 1
1 979 . 2 1 1 A 79 79 SER CB C 79 63.796 63.697 0.099 1
1 980 . 2 1 1 A 79 79 SER N N 79 110.823 113.424 -2.601 1
1 981 . 2 1 1 A 80 80 ASN H H 80 8.126 8.023 0.103 1
1 982 . 2 1 1 A 80 80 ASN HA H 80 4.700 4.402 0.298 1
1 985 . 2 1 1 A 80 80 ASN C C 80 172.562 175.690 -3.128 1
1 986 . 2 1 1 A 80 80 ASN CA C 80 53.603 54.551 -0.948 1
1 987 . 2 1 1 A 80 80 ASN CB C 80 36.754 38.303 -1.549 1
1 988 . 2 1 1 A 80 80 ASN N N 80 117.027 118.683 -1.656 1
1 989 . 2 1 1 A 81 81 LEU H H 81 8.526 7.358 1.168 1
1 990 . 2 1 1 A 81 81 LEU HA H 81 4.767 4.299 0.468 1
1 1000 . 2 1 1 A 81 81 LEU C C 81 175.743 177.984 -2.241 1
1 1001 . 2 1 1 A 81 81 LEU CA C 81 54.008 56.002 -1.994 1
1 1002 . 2 1 1 A 81 81 LEU CB C 81 45.026 42.523 2.503 1
1 1006 . 2 1 1 A 81 81 LEU N N 81 114.910 120.209 -5.299 1
1 1007 . 2 1 1 A 82 82 THR H H 82 7.848 7.892 -0.044 1
1 1008 . 2 1 1 A 82 82 THR HA H 82 4.117 3.938 0.179 1
1 1013 . 2 1 1 A 82 82 THR C C 82 176.676 176.937 -0.261 1
1 1014 . 2 1 1 A 82 82 THR CA C 82 67.474 65.488 1.986 1
1 1015 . 2 1 1 A 82 82 THR CB C 82 68.235 68.975 -0.740 1
1 1017 . 2 1 1 A 82 82 THR N N 82 117.802 113.726 4.076 1
1 1018 . 2 1 1 A 83 83 GLU H H 83 8.335 8.191 0.144 1
1 1019 . 2 1 1 A 83 83 GLU HA H 83 3.915 3.999 -0.084 1
1 1024 . 2 1 1 A 83 83 GLU C C 83 175.177 178.193 -3.016 1
1 1025 . 2 1 1 A 83 83 GLU CA C 83 59.541 59.524 0.017 1
1 1026 . 2 1 1 A 83 83 GLU CB C 83 27.819 29.509 -1.690 1
1 1028 . 2 1 1 A 83 83 GLU N N 83 118.314 120.781 -2.467 1
1 1029 . 2 1 1 A 84 84 TYR H H 84 8.043 8.405 -0.362 1
1 1030 . 2 1 1 A 84 84 TYR HA H 84 4.111 4.205 -0.094 1
1 1037 . 2 1 1 A 84 84 TYR C C 84 179.081 177.727 1.354 1
1 1038 . 2 1 1 A 84 84 TYR CA C 84 60.788 60.999 -0.211 1
1 1039 . 2 1 1 A 84 84 TYR CB C 84 37.753 38.498 -0.745 1
1 1040 . 2 1 1 A 84 84 TYR N N 84 121.386 121.194 0.192 1
1 1041 . 2 1 1 A 85 85 MET H H 85 8.101 7.895 0.206 1
1 1042 . 2 1 1 A 85 85 MET HA H 85 4.259 4.046 0.213 1
1 1047 . 2 1 1 A 85 85 MET C C 85 178.628 178.035 0.593 1
1 1048 . 2 1 1 A 85 85 MET CA C 85 55.244 58.486 -3.242 1
1 1049 . 2 1 1 A 85 85 MET CB C 85 29.597 31.997 -2.400 1
1 1051 . 2 1 1 A 85 85 MET N N 85 116.695 118.510 -1.815 1
1 1052 . 2 1 1 A 86 86 LYS H H 86 7.301 8.155 -0.854 1
1 1053 . 2 1 1 A 86 86 LYS HA H 86 3.937 3.958 -0.021 1
1 1062 . 2 1 1 A 86 86 LYS C C 86 175.934 178.092 -2.158 1
1 1063 . 2 1 1 A 86 86 LYS CA C 86 57.318 59.415 -2.097 1
1 1064 . 2 1 1 A 86 86 LYS CB C 86 32.956 32.065 0.891 1
1 1068 . 2 1 1 A 86 86 LYS N N 86 114.957 119.536 -4.579 1
1 1069 . 2 1 1 A 87 87 GLU H H 87 7.031 7.438 -0.407 1
1 1070 . 2 1 1 A 87 87 GLU HA H 87 4.185 4.066 0.119 1
1 1075 . 2 1 1 A 87 87 GLU C C 87 176.247 175.569 0.678 1
1 1076 . 2 1 1 A 87 87 GLU CA C 87 55.780 57.140 -1.360 1
1 1077 . 2 1 1 A 87 87 GLU CB C 87 29.358 30.149 -0.791 1
1 1079 . 2 1 1 A 87 87 GLU N N 87 119.315 119.544 -0.229 1
1 1080 . 2 1 1 A 88 88 LYS H H 88 8.466 8.696 -0.230 1
1 1081 . 2 1 1 A 88 88 LYS HA H 88 4.568 4.946 -0.378 1
1 1090 . 2 1 1 A 88 88 LYS C C 88 175.539 174.698 0.841 1
1 1091 . 2 1 1 A 88 88 LYS CA C 88 55.271 54.663 0.608 1
1 1092 . 2 1 1 A 88 88 LYS CB C 88 33.457 35.713 -2.256 1
1 1096 . 2 1 1 A 88 88 LYS N N 88 127.402 127.153 0.249 1
1 1097 . 2 1 1 A 89 89 ILE H H 89 8.752 8.625 0.127 1
1 1098 . 2 1 1 A 89 89 ILE HA H 89 4.249 4.514 -0.265 1
1 1108 . 2 1 1 A 89 89 ILE C C 89 176.471 175.307 1.164 1
1 1109 . 2 1 1 A 89 89 ILE CA C 89 59.014 59.419 -0.405 1
1 1110 . 2 1 1 A 89 89 ILE CB C 89 38.437 39.859 -1.422 1
1 1114 . 2 1 1 A 89 89 ILE N N 89 122.906 125.827 -2.921 1
1 1115 . 2 1 1 A 90 90 LYS H H 90 8.394 8.698 -0.304 1
1 1116 . 2 1 1 A 90 90 LYS HA H 90 4.284 3.727 0.557 1
1 1125 . 2 1 1 A 90 90 LYS C C 90 175.276 174.686 0.590 1
1 1126 . 2 1 1 A 90 90 LYS CA C 90 55.821 57.223 -1.402 1
1 1127 . 2 1 1 A 90 90 LYS CB C 90 31.860 29.472 2.388 1
1 1131 . 2 1 1 A 90 90 LYS N N 90 125.894 120.486 5.408 1
1 1132 . 2 1 1 A 91 91 ILE H H 91 8.141 7.678 0.463 1
1 1133 . 2 1 1 A 91 91 ILE HA H 91 4.165 4.578 -0.413 1
1 1143 . 2 1 1 A 91 91 ILE C C 91 175.506 174.405 1.101 1
1 1144 . 2 1 1 A 91 91 ILE CA C 91 59.516 60.304 -0.788 1
1 1145 . 2 1 1 A 91 91 ILE CB C 91 37.991 39.914 -1.923 1
1 1149 . 2 1 1 A 91 91 ILE N N 91 124.934 119.370 5.564 1
1 1150 . 2 1 1 A 92 92 ARG H H 92 8.488 9.035 -0.547 1
1 1151 . 2 1 1 A 92 92 ARG HA H 92 4.318 4.817 -0.499 1
1 1158 . 2 1 1 A 92 92 ARG C C 92 175.508 175.615 -0.107 1
1 1159 . 2 1 1 A 92 92 ARG CA C 92 55.708 55.313 0.395 1
1 1160 . 2 1 1 A 92 92 ARG CB C 92 30.394 31.334 -0.940 1
1 1163 . 2 1 1 A 92 92 ARG N N 92 126.033 129.151 -3.118 1
1 1164 . 2 1 1 A 93 93 MET H H 93 8.362 8.771 -0.409 1
1 1165 . 2 1 1 A 93 93 MET C C 93 175.367 174.470 0.897 1
1 1166 . 2 1 1 A 93 93 MET CA C 93 52.994 52.553 0.441 1
1 1167 . 2 1 1 A 93 93 MET CB C 93 32.271 35.034 -2.763 1
1 1168 . 2 1 1 A 93 93 MET N N 93 123.282 123.320 -0.038 1
1 1169 . 2 1 1 A 94 94 PRO HA H 94 4.505 4.709 -0.204 1
1 1176 . 2 1 1 A 94 94 PRO CA C 94 62.884 62.646 0.238 1
1 1177 . 2 1 1 A 94 94 PRO CB C 94 31.885 30.485 1.400 1
1 1180 . 2 1 1 A 95 95 THR H H 95 8.180 8.383 -0.203 1
1 1181 . 2 1 1 A 95 95 THR HA H 95 4.320 4.927 -0.607 1
1 1186 . 2 1 1 A 95 95 THR C C 95 176.463 172.061 4.402 1
1 1187 . 2 1 1 A 95 95 THR CA C 95 61.391 59.886 1.505 1
1 1188 . 2 1 1 A 95 95 THR CB C 95 69.583 70.459 -0.876 1
1 1190 . 2 1 1 A 95 95 THR N N 95 114.511 118.519 -4.008 1
1 1 . 3 1 1 A 2 2 PRO HA H 2 4.279 4.713 -0.434 1
1 8 . 3 1 1 A 2 2 PRO CA C 2 61.757 63.235 -1.478 1
1 9 . 3 1 1 A 2 2 PRO CB C 2 32.181 31.895 0.286 1
1 12 . 3 1 1 A 3 3 ALA H H 3 8.418 9.009 -0.591 1
1 13 . 3 1 1 A 3 3 ALA HA H 3 4.242 4.511 -0.269 1
1 17 . 3 1 1 A 3 3 ALA C C 3 171.733 176.565 -4.832 1
1 18 . 3 1 1 A 3 3 ALA CA C 3 53.120 51.831 1.289 1
1 19 . 3 1 1 A 3 3 ALA CB C 3 19.076 19.802 -0.726 1
1 20 . 3 1 1 A 3 3 ALA N N 3 122.573 124.537 -1.964 1
1 21 . 3 1 1 A 4 4 ILE H H 4 8.389 8.313 0.076 1
1 22 . 3 1 1 A 4 4 ILE HA H 4 3.730 3.986 -0.256 1
1 32 . 3 1 1 A 4 4 ILE C C 4 177.391 175.024 2.367 1
1 33 . 3 1 1 A 4 4 ILE CA C 4 60.039 61.340 -1.301 1
1 34 . 3 1 1 A 4 4 ILE CB C 4 34.720 37.213 -2.493 1
1 38 . 3 1 1 A 4 4 ILE N N 4 119.283 120.092 -0.809 1
1 39 . 3 1 1 A 5 5 GLU H H 5 6.799 8.477 -1.678 1
1 40 . 3 1 1 A 5 5 GLU HA H 5 4.630 4.711 -0.081 1
1 45 . 3 1 1 A 5 5 GLU C C 5 173.009 176.577 -3.568 1
1 46 . 3 1 1 A 5 5 GLU CA C 5 53.474 55.203 -1.729 1
1 47 . 3 1 1 A 5 5 GLU CB C 5 32.091 31.247 0.844 1
1 49 . 3 1 1 A 5 5 GLU N N 5 122.616 124.104 -1.488 1
1 50 . 3 1 1 A 6 6 VAL H H 6 8.899 8.550 0.349 1
1 51 . 3 1 1 A 6 6 VAL HA H 6 3.318 4.112 -0.794 1
1 59 . 3 1 1 A 6 6 VAL C C 6 174.172 176.451 -2.279 1
1 60 . 3 1 1 A 6 6 VAL CA C 6 65.581 63.721 1.860 1
1 61 . 3 1 1 A 6 6 VAL CB C 6 30.939 31.317 -0.378 1
1 64 . 3 1 1 A 6 6 VAL N N 6 122.205 123.438 -1.233 1
1 65 . 3 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 3 1 1 A 7 7 GLY HA2 H 7 5.016 4.036 0.980 1
1 67 . 3 1 1 A 7 7 GLY HA3 H 7 3.187 4.040 -0.853 1
1 68 . 3 1 1 A 7 7 GLY C C 7 176.688 174.239 2.449 1
1 69 . 3 1 1 A 7 7 GLY CA C 7 44.580 44.830 -0.250 1
1 70 . 3 1 1 A 7 7 GLY N N 7 115.742 114.907 0.835 1
1 71 . 3 1 1 A 8 8 ARG H H 8 8.128 8.029 0.099 1
1 72 . 3 1 1 A 8 8 ARG HA H 8 4.226 4.418 -0.192 1
1 79 . 3 1 1 A 8 8 ARG C C 8 173.667 175.722 -2.055 1
1 80 . 3 1 1 A 8 8 ARG CA C 8 54.906 55.366 -0.460 1
1 81 . 3 1 1 A 8 8 ARG CB C 8 29.331 31.265 -1.934 1
1 84 . 3 1 1 A 8 8 ARG N N 8 120.180 121.896 -1.716 1
1 85 . 3 1 1 A 9 9 ILE H H 9 8.571 8.066 0.505 1
1 86 . 3 1 1 A 9 9 ILE HA H 9 4.965 4.537 0.428 1
1 96 . 3 1 1 A 9 9 ILE C C 9 175.361 175.621 -0.260 1
1 97 . 3 1 1 A 9 9 ILE CA C 9 61.241 60.610 0.631 1
1 98 . 3 1 1 A 9 9 ILE CB C 9 36.712 38.094 -1.382 1
1 102 . 3 1 1 A 9 9 ILE N N 9 129.626 126.649 2.977 1
1 103 . 3 1 1 A 10 10 CYS H H 10 9.614 8.773 0.841 1
1 104 . 3 1 1 A 10 10 CYS HA H 10 5.471 5.402 0.069 1
1 107 . 3 1 1 A 10 10 CYS C C 10 177.158 172.412 4.746 1
1 108 . 3 1 1 A 10 10 CYS CA C 10 57.088 57.045 0.043 1
1 109 . 3 1 1 A 10 10 CYS CB C 10 32.935 30.954 1.981 1
1 110 . 3 1 1 A 10 10 CYS N N 10 126.595 125.420 1.175 1
1 111 . 3 1 1 A 11 11 VAL H H 11 8.926 9.425 -0.499 1
1 112 . 3 1 1 A 11 11 VAL HA H 11 4.351 5.010 -0.659 1
1 120 . 3 1 1 A 11 11 VAL C C 11 172.010 173.832 -1.822 1
1 121 . 3 1 1 A 11 11 VAL CA C 11 60.857 59.555 1.302 1
1 122 . 3 1 1 A 11 11 VAL CB C 11 33.989 34.675 -0.686 1
1 125 . 3 1 1 A 11 11 VAL N N 11 119.765 123.550 -3.785 1
1 126 . 3 1 1 A 12 12 LYS H H 12 8.961 8.638 0.323 1
1 127 . 3 1 1 A 12 12 LYS HA H 12 4.510 4.853 -0.343 1
1 136 . 3 1 1 A 12 12 LYS C C 12 175.625 175.327 0.298 1
1 137 . 3 1 1 A 12 12 LYS CA C 12 56.422 55.285 1.137 1
1 138 . 3 1 1 A 12 12 LYS CB C 12 32.726 34.339 -1.613 1
1 142 . 3 1 1 A 12 12 LYS N N 12 127.967 126.841 1.126 1
1 143 . 3 1 1 A 13 13 VAL H H 13 8.522 8.872 -0.350 1
1 144 . 3 1 1 A 13 13 VAL HA H 13 4.518 4.389 0.129 1
1 152 . 3 1 1 A 13 13 VAL C C 13 176.284 175.529 0.755 1
1 153 . 3 1 1 A 13 13 VAL CA C 13 61.492 60.619 0.873 1
1 154 . 3 1 1 A 13 13 VAL CB C 13 32.089 32.115 -0.026 1
1 157 . 3 1 1 A 13 13 VAL N N 13 118.593 123.601 -5.008 1
1 158 . 3 1 1 A 14 14 LYS H H 14 7.310 8.042 -0.732 1
1 159 . 3 1 1 A 14 14 LYS HA H 14 4.580 3.927 0.653 1
1 168 . 3 1 1 A 14 14 LYS C C 14 174.043 176.539 -2.496 1
1 169 . 3 1 1 A 14 14 LYS CA C 14 54.090 58.414 -4.324 1
1 170 . 3 1 1 A 14 14 LYS CB C 14 36.489 33.105 3.384 1
1 174 . 3 1 1 A 14 14 LYS N N 14 117.809 128.284 -10.475 1
1 175 . 3 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 3 1 1 A 15 15 GLY HA2 H 15 4.264 3.938 0.326 1
1 177 . 3 1 1 A 15 15 GLY HA3 H 15 3.845 3.955 -0.110 1
1 178 . 3 1 1 A 15 15 GLY C C 15 175.166 173.854 1.312 1
1 179 . 3 1 1 A 15 15 GLY CA C 15 43.993 45.809 -1.816 1
1 180 . 3 1 1 A 15 15 GLY N N 15 108.732 107.197 1.535 1
1 181 . 3 1 1 A 16 16 ARG H H 16 8.618 8.514 0.104 1
1 182 . 3 1 1 A 16 16 ARG HA H 16 4.082 4.541 -0.459 1
1 189 . 3 1 1 A 16 16 ARG C C 16 174.254 175.413 -1.159 1
1 190 . 3 1 1 A 16 16 ARG CA C 16 57.950 56.898 1.052 1
1 191 . 3 1 1 A 16 16 ARG CB C 16 29.776 33.184 -3.408 1
1 194 . 3 1 1 A 16 16 ARG N N 16 120.561 121.526 -0.965 1
1 195 . 3 1 1 A 17 17 GLU H H 17 8.935 7.786 1.149 1
1 196 . 3 1 1 A 17 17 GLU HA H 17 4.190 4.605 -0.415 1
1 201 . 3 1 1 A 17 17 GLU C C 17 177.426 175.611 1.815 1
1 202 . 3 1 1 A 17 17 GLU CA C 17 55.386 54.828 0.558 1
1 203 . 3 1 1 A 17 17 GLU CB C 17 27.412 32.415 -5.003 1
1 205 . 3 1 1 A 17 17 GLU N N 17 115.930 117.592 -1.662 1
1 206 . 3 1 1 A 18 18 ALA H H 18 7.267 8.514 -1.247 1
1 207 . 3 1 1 A 18 18 ALA HA H 18 3.737 3.969 -0.232 1
1 211 . 3 1 1 A 18 18 ALA C C 18 174.969 177.964 -2.995 1
1 212 . 3 1 1 A 18 18 ALA CA C 18 53.272 53.393 -0.121 1
1 213 . 3 1 1 A 18 18 ALA CB C 18 17.382 17.918 -0.536 1
1 214 . 3 1 1 A 18 18 ALA N N 18 120.485 121.194 -0.709 1
1 215 . 3 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 3 1 1 A 19 19 GLY HA2 H 19 4.680 3.840 0.840 1
1 217 . 3 1 1 A 19 19 GLY HA3 H 19 3.451 3.842 -0.391 1
1 218 . 3 1 1 A 19 19 GLY C C 19 178.386 173.974 4.412 1
1 219 . 3 1 1 A 19 19 GLY CA C 19 44.905 45.645 -0.740 1
1 220 . 3 1 1 A 19 19 GLY N N 19 112.194 104.891 7.303 1
1 221 . 3 1 1 A 20 20 SER H H 20 8.162 7.580 0.582 1
1 222 . 3 1 1 A 20 20 SER HA H 20 4.861 4.796 0.065 1
1 225 . 3 1 1 A 20 20 SER C C 20 173.441 173.225 0.216 1
1 226 . 3 1 1 A 20 20 SER CA C 20 58.253 57.827 0.426 1
1 227 . 3 1 1 A 20 20 SER CB C 20 64.447 65.537 -1.090 1
1 228 . 3 1 1 A 20 20 SER N N 20 115.207 115.827 -0.620 1
1 229 . 3 1 1 A 21 21 LYS H H 21 8.836 8.230 0.606 1
1 230 . 3 1 1 A 21 21 LYS HA H 21 5.369 5.119 0.250 1
1 239 . 3 1 1 A 21 21 LYS C C 21 172.859 175.759 -2.900 1
1 240 . 3 1 1 A 21 21 LYS CA C 21 55.508 54.622 0.886 1
1 241 . 3 1 1 A 21 21 LYS CB C 21 34.795 35.275 -0.480 1
1 245 . 3 1 1 A 21 21 LYS N N 21 121.269 120.766 0.503 1
1 246 . 3 1 1 A 22 22 CYS H H 22 8.905 8.763 0.142 1
1 247 . 3 1 1 A 22 22 CYS HA H 22 5.527 5.223 0.304 1
1 250 . 3 1 1 A 22 22 CYS C C 22 174.204 172.717 1.487 1
1 251 . 3 1 1 A 22 22 CYS CA C 22 55.584 56.571 -0.987 1
1 252 . 3 1 1 A 22 22 CYS CB C 22 30.941 31.494 -0.553 1
1 253 . 3 1 1 A 22 22 CYS N N 22 110.073 118.526 -8.453 1
1 254 . 3 1 1 A 23 23 VAL H H 23 9.325 9.048 0.277 1
1 255 . 3 1 1 A 23 23 VAL HA H 23 4.761 4.637 0.124 1
1 263 . 3 1 1 A 23 23 VAL C C 23 171.121 175.502 -4.381 1
1 264 . 3 1 1 A 23 23 VAL CA C 23 60.552 60.957 -0.405 1
1 265 . 3 1 1 A 23 23 VAL CB C 23 35.141 34.369 0.772 1
1 268 . 3 1 1 A 23 23 VAL N N 23 119.042 121.015 -1.973 1
1 269 . 3 1 1 A 24 24 ILE H H 24 8.239 9.055 -0.816 1
1 270 . 3 1 1 A 24 24 ILE HA H 24 4.239 4.160 0.079 1
1 280 . 3 1 1 A 24 24 ILE C C 24 175.805 176.265 -0.460 1
1 281 . 3 1 1 A 24 24 ILE CA C 24 62.552 61.190 1.362 1
1 282 . 3 1 1 A 24 24 ILE CB C 24 36.819 36.765 0.054 1
1 286 . 3 1 1 A 24 24 ILE N N 24 124.259 126.967 -2.708 1
1 287 . 3 1 1 A 25 25 VAL H H 25 9.205 8.769 0.436 1
1 288 . 3 1 1 A 25 25 VAL HA H 25 4.689 4.211 0.478 1
1 296 . 3 1 1 A 25 25 VAL C C 25 175.650 174.779 0.871 1
1 297 . 3 1 1 A 25 25 VAL CA C 25 60.947 63.665 -2.718 1
1 298 . 3 1 1 A 25 25 VAL CB C 25 32.986 33.372 -0.386 1
1 301 . 3 1 1 A 25 25 VAL N N 25 121.805 128.080 -6.275 1
1 302 . 3 1 1 A 26 26 ASP H H 26 8.103 7.394 0.709 1
1 303 . 3 1 1 A 26 26 ASP HA H 26 4.771 5.118 -0.347 1
1 306 . 3 1 1 A 26 26 ASP C C 26 174.343 173.796 0.547 1
1 307 . 3 1 1 A 26 26 ASP CA C 26 53.671 53.600 0.071 1
1 308 . 3 1 1 A 26 26 ASP CB C 26 43.563 44.697 -1.134 1
1 309 . 3 1 1 A 26 26 ASP N N 26 118.459 120.164 -1.705 1
1 310 . 3 1 1 A 27 27 ILE H H 27 9.092 9.054 0.038 1
1 311 . 3 1 1 A 27 27 ILE HA H 27 4.273 4.349 -0.076 1
1 321 . 3 1 1 A 27 27 ILE C C 27 173.976 175.441 -1.465 1
1 322 . 3 1 1 A 27 27 ILE CA C 27 60.306 60.678 -0.372 1
1 323 . 3 1 1 A 27 27 ILE CB C 27 38.339 37.195 1.144 1
1 327 . 3 1 1 A 27 27 ILE N N 27 124.375 125.734 -1.359 1
1 328 . 3 1 1 A 28 28 ILE H H 28 8.055 8.806 -0.751 1
1 329 . 3 1 1 A 28 28 ILE HA H 28 3.986 4.004 -0.018 1
1 339 . 3 1 1 A 28 28 ILE C C 28 174.733 175.648 -0.915 1
1 340 . 3 1 1 A 28 28 ILE CA C 28 62.414 63.551 -1.137 1
1 341 . 3 1 1 A 28 28 ILE CB C 28 37.450 38.187 -0.737 1
1 345 . 3 1 1 A 28 28 ILE N N 28 127.525 129.462 -1.937 1
1 346 . 3 1 1 A 29 29 ASP H H 29 8.438 7.861 0.577 1
1 347 . 3 1 1 A 29 29 ASP HA H 29 4.522 5.026 -0.504 1
1 350 . 3 1 1 A 29 29 ASP C C 29 175.289 175.758 -0.469 1
1 351 . 3 1 1 A 29 29 ASP CA C 29 53.316 52.754 0.562 1
1 352 . 3 1 1 A 29 29 ASP CB C 29 39.450 44.280 -4.830 1
1 353 . 3 1 1 A 29 29 ASP N N 29 118.886 118.194 0.692 1
1 354 . 3 1 1 A 30 30 ASP H H 30 8.140 9.203 -1.063 1
1 355 . 3 1 1 A 30 30 ASP HA H 30 4.375 4.538 -0.163 1
1 358 . 3 1 1 A 30 30 ASP C C 30 174.332 176.507 -2.175 1
1 359 . 3 1 1 A 30 30 ASP CA C 30 56.171 55.852 0.319 1
1 360 . 3 1 1 A 30 30 ASP CB C 30 40.302 40.560 -0.258 1
1 361 . 3 1 1 A 30 30 ASP N N 30 112.219 122.538 -10.319 1
1 362 . 3 1 1 A 31 31 ASN H H 31 8.866 9.038 -0.172 1
1 363 . 3 1 1 A 31 31 ASN HA H 31 4.805 4.913 -0.108 1
1 366 . 3 1 1 A 31 31 ASN C C 31 175.926 174.468 1.458 1
1 367 . 3 1 1 A 31 31 ASN CA C 31 54.015 52.693 1.322 1
1 368 . 3 1 1 A 31 31 ASN CB C 31 42.366 40.637 1.729 1
1 369 . 3 1 1 A 31 31 ASN N N 31 114.650 117.022 -2.372 1
1 370 . 3 1 1 A 32 32 PHE H H 32 8.481 7.636 0.845 1
1 371 . 3 1 1 A 32 32 PHE HA H 32 5.279 5.402 -0.123 1
1 376 . 3 1 1 A 32 32 PHE C C 32 173.451 175.423 -1.972 1
1 377 . 3 1 1 A 32 32 PHE CA C 32 57.629 56.395 1.234 1
1 378 . 3 1 1 A 32 32 PHE CB C 32 42.418 40.195 2.223 1
1 379 . 3 1 1 A 32 32 PHE N N 32 117.648 117.757 -0.109 1
1 380 . 3 1 1 A 33 33 VAL H H 33 8.680 8.597 0.083 1
1 381 . 3 1 1 A 33 33 VAL HA H 33 4.720 5.033 -0.313 1
1 389 . 3 1 1 A 33 33 VAL C C 33 174.458 173.639 0.819 1
1 390 . 3 1 1 A 33 33 VAL CA C 33 58.331 59.607 -1.276 1
1 391 . 3 1 1 A 33 33 VAL CB C 33 34.410 34.630 -0.220 1
1 394 . 3 1 1 A 33 33 VAL N N 33 110.814 117.888 -7.074 1
1 395 . 3 1 1 A 34 34 LEU H H 34 8.696 8.414 0.282 1
1 396 . 3 1 1 A 34 34 LEU HA H 34 4.871 5.092 -0.221 1
1 406 . 3 1 1 A 34 34 LEU C C 34 172.716 175.642 -2.926 1
1 407 . 3 1 1 A 34 34 LEU CA C 34 53.776 53.513 0.263 1
1 408 . 3 1 1 A 34 34 LEU CB C 34 44.582 44.261 0.321 1
1 412 . 3 1 1 A 34 34 LEU N N 34 123.160 124.773 -1.613 1
1 413 . 3 1 1 A 35 35 VAL H H 35 8.460 8.662 -0.202 1
1 414 . 3 1 1 A 35 35 VAL HA H 35 5.674 5.227 0.447 1
1 422 . 3 1 1 A 35 35 VAL C C 35 176.009 174.294 1.715 1
1 423 . 3 1 1 A 35 35 VAL CA C 35 57.423 59.996 -2.573 1
1 424 . 3 1 1 A 35 35 VAL CB C 35 35.541 34.016 1.525 1
1 427 . 3 1 1 A 35 35 VAL N N 35 119.184 122.277 -3.093 1
1 428 . 3 1 1 A 36 36 THR H H 36 8.362 9.002 -0.640 1
1 429 . 3 1 1 A 36 36 THR HA H 36 4.535 5.053 -0.518 1
1 434 . 3 1 1 A 36 36 THR C C 36 173.498 172.876 0.622 1
1 435 . 3 1 1 A 36 36 THR CA C 36 59.643 59.557 0.086 1
1 436 . 3 1 1 A 36 36 THR CB C 36 70.439 72.018 -1.579 1
1 438 . 3 1 1 A 36 36 THR N N 36 109.151 117.871 -8.720 1
1 439 . 3 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 3 1 1 A 37 37 GLY C C 37 172.460 172.314 0.146 1
1 441 . 3 1 1 A 37 37 GLY CA C 37 51.421 44.008 7.413 1
1 442 . 3 1 1 A 37 37 GLY N N 37 115.474 112.676 2.798 1
1 443 . 3 1 1 A 38 38 PRO HA H 38 5.235 4.844 0.391 1
1 450 . 3 1 1 A 38 38 PRO CA C 38 60.459 63.066 -2.607 1
1 451 . 3 1 1 A 38 38 PRO CB C 38 35.517 31.719 3.798 1
1 454 . 3 1 1 A 39 39 LYS H H 39 9.463 8.819 0.644 1
1 455 . 3 1 1 A 39 39 LYS HA H 39 3.545 3.936 -0.391 1
1 464 . 3 1 1 A 39 39 LYS C C 39 179.019 177.608 1.411 1
1 465 . 3 1 1 A 39 39 LYS CA C 39 60.344 59.703 0.641 1
1 466 . 3 1 1 A 39 39 LYS CB C 39 31.826 32.081 -0.255 1
1 470 . 3 1 1 A 39 39 LYS N N 39 127.869 125.526 2.343 1
1 471 . 3 1 1 A 40 40 ASP H H 40 9.035 8.030 1.005 1
1 472 . 3 1 1 A 40 40 ASP HA H 40 4.375 4.403 -0.028 1
1 475 . 3 1 1 A 40 40 ASP C C 40 177.615 178.564 -0.949 1
1 476 . 3 1 1 A 40 40 ASP CA C 40 55.080 57.120 -2.040 1
1 477 . 3 1 1 A 40 40 ASP CB C 40 39.209 41.138 -1.929 1
1 478 . 3 1 1 A 40 40 ASP N N 40 115.744 119.474 -3.730 1
1 479 . 3 1 1 A 41 41 ILE H H 41 7.739 7.851 -0.112 1
1 480 . 3 1 1 A 41 41 ILE HA H 41 4.218 3.774 0.444 1
1 490 . 3 1 1 A 41 41 ILE C C 41 174.826 177.380 -2.554 1
1 491 . 3 1 1 A 41 41 ILE CA C 41 61.664 64.595 -2.931 1
1 492 . 3 1 1 A 41 41 ILE CB C 41 37.453 38.142 -0.689 1
1 496 . 3 1 1 A 41 41 ILE N N 41 116.447 119.175 -2.728 1
1 497 . 3 1 1 A 42 42 THR H H 42 7.766 7.723 0.043 1
1 498 . 3 1 1 A 42 42 THR HA H 42 4.734 4.348 0.386 1
1 503 . 3 1 1 A 42 42 THR C C 42 175.827 175.252 0.575 1
1 504 . 3 1 1 A 42 42 THR CA C 42 60.110 63.822 -3.712 1
1 505 . 3 1 1 A 42 42 THR CB C 42 71.791 69.483 2.308 1
1 507 . 3 1 1 A 42 42 THR N N 42 104.054 112.354 -8.300 1
1 508 . 3 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 3 1 1 A 43 43 GLY HA2 H 43 4.461 3.913 0.548 1
1 510 . 3 1 1 A 43 43 GLY HA3 H 43 3.836 3.915 -0.079 1
1 511 . 3 1 1 A 43 43 GLY C C 43 175.208 174.588 0.620 1
1 512 . 3 1 1 A 43 43 GLY CA C 43 44.826 46.191 -1.365 1
1 513 . 3 1 1 A 43 43 GLY N N 43 109.006 109.293 -0.287 1
1 514 . 3 1 1 A 44 44 VAL H H 44 7.289 7.770 -0.481 1
1 515 . 3 1 1 A 44 44 VAL HA H 44 3.945 3.994 -0.049 1
1 523 . 3 1 1 A 44 44 VAL C C 44 173.149 174.979 -1.830 1
1 524 . 3 1 1 A 44 44 VAL CA C 44 62.902 62.419 0.483 1
1 525 . 3 1 1 A 44 44 VAL CB C 44 31.715 31.739 -0.024 1
1 528 . 3 1 1 A 44 44 VAL N N 44 120.903 120.924 -0.021 1
1 529 . 3 1 1 A 45 45 LYS H H 45 8.308 8.542 -0.234 1
1 530 . 3 1 1 A 45 45 LYS HA H 45 4.190 4.691 -0.501 1
1 539 . 3 1 1 A 45 45 LYS C C 45 175.177 176.507 -1.330 1
1 540 . 3 1 1 A 45 45 LYS CA C 45 56.355 55.368 0.987 1
1 541 . 3 1 1 A 45 45 LYS CB C 45 33.385 33.378 0.007 1
1 545 . 3 1 1 A 45 45 LYS N N 45 128.406 127.612 0.794 1
1 546 . 3 1 1 A 46 46 ARG H H 46 8.080 8.378 -0.298 1
1 547 . 3 1 1 A 46 46 ARG HA H 46 5.720 4.210 1.510 1
1 554 . 3 1 1 A 46 46 ARG C C 46 173.780 175.330 -1.550 1
1 555 . 3 1 1 A 46 46 ARG CA C 46 54.888 56.275 -1.387 1
1 556 . 3 1 1 A 46 46 ARG CB C 46 29.630 30.624 -0.994 1
1 559 . 3 1 1 A 46 46 ARG N N 46 120.129 124.930 -4.801 1
1 560 . 3 1 1 A 47 47 ARG H H 47 8.452 8.031 0.421 1
1 561 . 3 1 1 A 47 47 ARG HA H 47 4.732 4.722 0.010 1
1 568 . 3 1 1 A 47 47 ARG C C 47 176.138 174.256 1.882 1
1 569 . 3 1 1 A 47 47 ARG CA C 47 54.319 55.196 -0.877 1
1 570 . 3 1 1 A 47 47 ARG CB C 47 33.746 34.269 -0.523 1
1 573 . 3 1 1 A 47 47 ARG N N 47 126.780 121.776 5.004 1
1 574 . 3 1 1 A 48 48 ARG H H 48 8.546 8.317 0.229 1
1 575 . 3 1 1 A 48 48 ARG HA H 48 5.111 4.431 0.680 1
1 582 . 3 1 1 A 48 48 ARG C C 48 174.339 176.000 -1.661 1
1 583 . 3 1 1 A 48 48 ARG CA C 48 55.524 55.996 -0.472 1
1 584 . 3 1 1 A 48 48 ARG CB C 48 31.132 30.520 0.612 1
1 587 . 3 1 1 A 48 48 ARG N N 48 121.931 122.764 -0.833 1
1 588 . 3 1 1 A 49 49 VAL H H 49 9.485 8.897 0.588 1
1 589 . 3 1 1 A 49 49 VAL HA H 49 4.651 5.081 -0.430 1
1 597 . 3 1 1 A 49 49 VAL C C 49 176.112 173.407 2.705 1
1 598 . 3 1 1 A 49 49 VAL CA C 49 60.040 58.748 1.292 1
1 599 . 3 1 1 A 49 49 VAL CB C 49 36.427 35.445 0.982 1
1 602 . 3 1 1 A 49 49 VAL N N 49 122.891 118.566 4.325 1
1 603 . 3 1 1 A 50 50 ASN H H 50 8.569 8.908 -0.339 1
1 604 . 3 1 1 A 50 50 ASN HA H 50 4.213 5.059 -0.846 1
1 607 . 3 1 1 A 50 50 ASN C C 50 173.258 174.168 -0.910 1
1 608 . 3 1 1 A 50 50 ASN CA C 50 52.732 51.361 1.371 1
1 609 . 3 1 1 A 50 50 ASN CB C 50 38.173 41.653 -3.480 1
1 610 . 3 1 1 A 50 50 ASN N N 50 125.736 119.921 5.815 1
1 611 . 3 1 1 A 51 51 ILE H H 51 8.601 8.769 -0.168 1
1 612 . 3 1 1 A 51 51 ILE HA H 51 3.632 4.142 -0.510 1
1 622 . 3 1 1 A 51 51 ILE C C 51 176.785 175.651 1.134 1
1 623 . 3 1 1 A 51 51 ILE CA C 51 65.046 61.463 3.583 1
1 624 . 3 1 1 A 51 51 ILE CB C 51 38.532 36.418 2.114 1
1 628 . 3 1 1 A 51 51 ILE N N 51 126.454 126.193 0.261 1
1 629 . 3 1 1 A 52 52 LEU H H 52 8.448 8.752 -0.304 1
1 630 . 3 1 1 A 52 52 LEU HA H 52 4.290 4.390 -0.100 1
1 640 . 3 1 1 A 52 52 LEU C C 52 176.765 176.787 -0.022 1
1 641 . 3 1 1 A 52 52 LEU CA C 52 55.880 56.434 -0.554 1
1 642 . 3 1 1 A 52 52 LEU CB C 52 40.983 44.311 -3.328 1
1 646 . 3 1 1 A 52 52 LEU N N 52 118.365 128.414 -10.049 1
1 647 . 3 1 1 A 53 53 HIS H H 53 8.358 8.057 0.301 1
1 648 . 3 1 1 A 53 53 HIS HA H 53 4.621 4.806 -0.185 1
1 651 . 3 1 1 A 53 53 HIS C C 53 178.018 174.205 3.813 1
1 652 . 3 1 1 A 53 53 HIS CA C 53 53.996 54.551 -0.555 1
1 653 . 3 1 1 A 53 53 HIS CB C 53 30.306 28.420 1.886 1
1 654 . 3 1 1 A 53 53 HIS N N 53 116.672 115.737 0.935 1
1 655 . 3 1 1 A 54 54 LEU H H 54 7.693 7.571 0.122 1
1 656 . 3 1 1 A 54 54 LEU HA H 54 5.222 4.950 0.272 1
1 666 . 3 1 1 A 54 54 LEU C C 54 173.609 175.135 -1.526 1
1 667 . 3 1 1 A 54 54 LEU CA C 54 52.932 52.956 -0.024 1
1 668 . 3 1 1 A 54 54 LEU CB C 54 45.943 44.231 1.712 1
1 672 . 3 1 1 A 54 54 LEU N N 54 119.311 121.922 -2.611 1
1 673 . 3 1 1 A 55 55 GLU H H 55 9.073 9.391 -0.318 1
1 674 . 3 1 1 A 55 55 GLU C C 55 175.102 174.656 0.446 1
1 675 . 3 1 1 A 55 55 GLU CA C 55 52.073 52.661 -0.588 1
1 676 . 3 1 1 A 55 55 GLU CB C 55 31.958 32.124 -0.166 1
1 677 . 3 1 1 A 55 55 GLU N N 55 120.139 124.869 -4.730 1
1 678 . 3 1 1 A 56 56 PRO HA H 56 4.903 4.520 0.383 1
1 685 . 3 1 1 A 56 56 PRO CA C 56 63.121 63.408 -0.287 1
1 686 . 3 1 1 A 56 56 PRO CB C 56 32.274 32.254 0.020 1
1 689 . 3 1 1 A 57 57 THR H H 57 8.502 8.523 -0.021 1
1 690 . 3 1 1 A 57 57 THR HA H 57 4.932 4.621 0.311 1
1 695 . 3 1 1 A 57 57 THR C C 57 175.894 175.063 0.831 1
1 696 . 3 1 1 A 57 57 THR CA C 57 60.602 60.558 0.044 1
1 697 . 3 1 1 A 57 57 THR CB C 57 71.821 71.444 0.377 1
1 699 . 3 1 1 A 57 57 THR N N 57 113.388 112.988 0.400 1
1 700 . 3 1 1 A 58 58 ASP H H 58 8.605 8.909 -0.304 1
1 701 . 3 1 1 A 58 58 ASP HA H 58 4.445 4.464 -0.019 1
1 704 . 3 1 1 A 58 58 ASP C C 58 173.673 175.968 -2.295 1
1 705 . 3 1 1 A 58 58 ASP CA C 58 53.743 56.518 -2.775 1
1 706 . 3 1 1 A 58 58 ASP CB C 58 39.622 41.467 -1.845 1
1 707 . 3 1 1 A 58 58 ASP N N 58 115.340 121.351 -6.011 1
1 708 . 3 1 1 A 59 59 LYS H H 59 8.544 7.864 0.680 1
1 709 . 3 1 1 A 59 59 LYS HA H 59 4.646 4.655 -0.009 1
1 718 . 3 1 1 A 59 59 LYS C C 59 174.972 175.518 -0.546 1
1 719 . 3 1 1 A 59 59 LYS CA C 59 54.336 54.856 -0.520 1
1 720 . 3 1 1 A 59 59 LYS CB C 59 34.626 33.950 0.676 1
1 724 . 3 1 1 A 59 59 LYS N N 59 119.488 118.888 0.600 1
1 725 . 3 1 1 A 60 60 LYS H H 60 8.227 8.455 -0.228 1
1 726 . 3 1 1 A 60 60 LYS HA H 60 4.999 4.722 0.277 1
1 735 . 3 1 1 A 60 60 LYS C C 60 174.256 174.658 -0.402 1
1 736 . 3 1 1 A 60 60 LYS CA C 60 54.465 55.778 -1.313 1
1 737 . 3 1 1 A 60 60 LYS CB C 60 36.153 36.102 0.051 1
1 741 . 3 1 1 A 60 60 LYS N N 60 121.112 121.965 -0.853 1
1 742 . 3 1 1 A 61 61 ILE H H 61 8.527 8.738 -0.211 1
1 743 . 3 1 1 A 61 61 ILE HA H 61 4.724 4.743 -0.019 1
1 753 . 3 1 1 A 61 61 ILE C C 61 174.330 174.197 0.133 1
1 754 . 3 1 1 A 61 61 ILE CA C 61 58.831 59.913 -1.082 1
1 755 . 3 1 1 A 61 61 ILE CB C 61 41.357 39.136 2.221 1
1 759 . 3 1 1 A 61 61 ILE N N 61 116.027 122.683 -6.656 1
1 760 . 3 1 1 A 62 62 ASP H H 62 8.513 8.676 -0.163 1
1 761 . 3 1 1 A 62 62 ASP HA H 62 4.732 4.882 -0.150 1
1 764 . 3 1 1 A 62 62 ASP C C 62 174.224 175.316 -1.092 1
1 765 . 3 1 1 A 62 62 ASP CA C 62 53.163 53.221 -0.058 1
1 766 . 3 1 1 A 62 62 ASP CB C 62 39.686 41.113 -1.427 1
1 767 . 3 1 1 A 62 62 ASP N N 62 121.643 124.517 -2.874 1
1 768 . 3 1 1 A 63 63 ILE H H 63 7.389 8.807 -1.418 1
1 769 . 3 1 1 A 63 63 ILE HA H 63 4.641 5.148 -0.507 1
1 779 . 3 1 1 A 63 63 ILE C C 63 174.484 175.145 -0.661 1
1 780 . 3 1 1 A 63 63 ILE CA C 63 58.244 58.522 -0.278 1
1 781 . 3 1 1 A 63 63 ILE CB C 63 41.811 42.104 -0.293 1
1 785 . 3 1 1 A 63 63 ILE N N 63 114.509 120.679 -6.170 1
1 786 . 3 1 1 A 64 64 GLN H H 64 8.529 8.549 -0.020 1
1 787 . 3 1 1 A 64 64 GLN HA H 64 4.390 4.667 -0.277 1
1 792 . 3 1 1 A 64 64 GLN C C 64 174.409 175.578 -1.169 1
1 793 . 3 1 1 A 64 64 GLN CA C 64 53.860 54.249 -0.389 1
1 794 . 3 1 1 A 64 64 GLN CB C 64 30.086 31.438 -1.352 1
1 796 . 3 1 1 A 64 64 GLN N N 64 119.145 120.432 -1.287 1
1 797 . 3 1 1 A 65 65 LYS H H 65 8.323 8.564 -0.241 1
1 798 . 3 1 1 A 65 65 LYS HA H 65 4.132 4.290 -0.158 1
1 807 . 3 1 1 A 65 65 LYS C C 65 174.920 176.200 -1.280 1
1 808 . 3 1 1 A 65 65 LYS CA C 65 57.603 55.627 1.976 1
1 809 . 3 1 1 A 65 65 LYS CB C 65 32.341 30.964 1.377 1
1 813 . 3 1 1 A 65 65 LYS N N 65 119.780 122.827 -3.047 1
1 814 . 3 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 3 1 1 A 66 66 GLY HA2 H 66 4.093 4.173 -0.080 1
1 816 . 3 1 1 A 66 66 GLY HA3 H 66 3.297 4.174 -0.877 1
1 817 . 3 1 1 A 66 66 GLY C C 66 177.892 173.954 3.938 1
1 818 . 3 1 1 A 66 66 GLY CA C 66 44.953 45.255 -0.302 1
1 819 . 3 1 1 A 66 66 GLY N N 66 112.449 107.999 4.450 1
1 820 . 3 1 1 A 67 67 ALA H H 67 7.545 7.898 -0.353 1
1 821 . 3 1 1 A 67 67 ALA HA H 67 4.081 4.725 -0.644 1
1 825 . 3 1 1 A 67 67 ALA C C 67 173.517 176.366 -2.849 1
1 826 . 3 1 1 A 67 67 ALA CA C 67 52.802 50.567 2.235 1
1 827 . 3 1 1 A 67 67 ALA CB C 67 20.424 21.277 -0.853 1
1 828 . 3 1 1 A 67 67 ALA N N 67 121.516 123.525 -2.009 1
1 829 . 3 1 1 A 68 68 SER H H 68 8.904 8.835 0.069 1
1 830 . 3 1 1 A 68 68 SER HA H 68 4.261 4.662 -0.401 1
1 833 . 3 1 1 A 68 68 SER C C 68 177.019 175.564 1.455 1
1 834 . 3 1 1 A 68 68 SER CA C 68 57.321 57.694 -0.373 1
1 835 . 3 1 1 A 68 68 SER CB C 68 65.064 64.609 0.455 1
1 836 . 3 1 1 A 68 68 SER N N 68 119.470 119.420 0.050 1
1 837 . 3 1 1 A 69 69 ASP H H 69 9.379 8.975 0.404 1
1 838 . 3 1 1 A 69 69 ASP HA H 69 4.184 4.295 -0.111 1
1 841 . 3 1 1 A 69 69 ASP C C 69 173.831 177.843 -4.012 1
1 842 . 3 1 1 A 69 69 ASP CA C 69 57.843 57.411 0.432 1
1 843 . 3 1 1 A 69 69 ASP CB C 69 39.367 40.496 -1.129 1
1 844 . 3 1 1 A 69 69 ASP N N 69 122.205 123.658 -1.453 1
1 845 . 3 1 1 A 70 70 GLU H H 70 8.454 8.355 0.099 1
1 846 . 3 1 1 A 70 70 GLU HA H 70 3.966 4.034 -0.068 1
1 851 . 3 1 1 A 70 70 GLU C C 70 177.979 178.993 -1.014 1
1 852 . 3 1 1 A 70 70 GLU CA C 70 59.987 59.441 0.546 1
1 853 . 3 1 1 A 70 70 GLU CB C 70 28.804 29.292 -0.488 1
1 855 . 3 1 1 A 70 70 GLU N N 70 118.426 119.202 -0.776 1
1 856 . 3 1 1 A 71 71 GLU H H 71 7.835 7.996 -0.161 1
1 857 . 3 1 1 A 71 71 GLU HA H 71 4.050 4.203 -0.153 1
1 862 . 3 1 1 A 71 71 GLU C C 71 178.486 178.999 -0.513 1
1 863 . 3 1 1 A 71 71 GLU CA C 71 58.998 58.844 0.154 1
1 864 . 3 1 1 A 71 71 GLU CB C 71 29.068 29.255 -0.187 1
1 866 . 3 1 1 A 71 71 GLU N N 71 122.166 120.184 1.982 1
1 867 . 3 1 1 A 72 72 VAL H H 72 8.387 8.325 0.062 1
1 868 . 3 1 1 A 72 72 VAL HA H 72 3.295 3.549 -0.254 1
1 876 . 3 1 1 A 72 72 VAL C C 72 178.603 178.152 0.451 1
1 877 . 3 1 1 A 72 72 VAL CA C 72 66.989 67.010 -0.021 1
1 878 . 3 1 1 A 72 72 VAL CB C 72 31.242 31.389 -0.147 1
1 881 . 3 1 1 A 72 72 VAL N N 72 118.871 121.277 -2.406 1
1 882 . 3 1 1 A 73 73 LYS H H 73 8.619 7.864 0.755 1
1 883 . 3 1 1 A 73 73 LYS HA H 73 3.734 3.935 -0.201 1
1 892 . 3 1 1 A 73 73 LYS C C 73 177.118 178.494 -1.376 1
1 893 . 3 1 1 A 73 73 LYS CA C 73 60.695 58.839 1.856 1
1 894 . 3 1 1 A 73 73 LYS CB C 73 32.320 31.954 0.366 1
1 898 . 3 1 1 A 73 73 LYS N N 73 118.351 119.924 -1.573 1
1 899 . 3 1 1 A 74 74 LYS H H 74 7.886 7.343 0.543 1
1 900 . 3 1 1 A 74 74 LYS HA H 74 4.133 4.017 0.116 1
1 909 . 3 1 1 A 74 74 LYS C C 74 178.306 179.819 -1.513 1
1 910 . 3 1 1 A 74 74 LYS CA C 74 58.954 59.818 -0.864 1
1 911 . 3 1 1 A 74 74 LYS CB C 74 31.974 32.267 -0.293 1
1 915 . 3 1 1 A 74 74 LYS N N 74 118.808 118.262 0.546 1
1 916 . 3 1 1 A 75 75 LYS H H 75 8.118 7.649 0.469 1
1 917 . 3 1 1 A 75 75 LYS HA H 75 4.228 4.090 0.138 1
1 926 . 3 1 1 A 75 75 LYS C C 75 178.795 179.288 -0.493 1
1 927 . 3 1 1 A 75 75 LYS CA C 75 57.158 59.019 -1.861 1
1 928 . 3 1 1 A 75 75 LYS CB C 75 31.382 32.462 -1.080 1
1 932 . 3 1 1 A 75 75 LYS N N 75 118.374 119.543 -1.169 1
1 933 . 3 1 1 A 76 76 LEU H H 76 8.778 8.637 0.141 1
1 934 . 3 1 1 A 76 76 LEU HA H 76 3.931 3.989 -0.058 1
1 944 . 3 1 1 A 76 76 LEU C C 76 180.241 179.281 0.960 1
1 945 . 3 1 1 A 76 76 LEU CA C 76 58.203 58.151 0.052 1
1 946 . 3 1 1 A 76 76 LEU CB C 76 42.015 41.562 0.453 1
1 950 . 3 1 1 A 76 76 LEU N N 76 121.253 119.614 1.639 1
1 951 . 3 1 1 A 77 77 GLU H H 77 7.951 8.251 -0.300 1
1 952 . 3 1 1 A 77 77 GLU HA H 77 4.227 3.933 0.294 1
1 957 . 3 1 1 A 77 77 GLU C C 77 178.403 178.741 -0.338 1
1 958 . 3 1 1 A 77 77 GLU CA C 77 58.892 59.759 -0.867 1
1 959 . 3 1 1 A 77 77 GLU CB C 77 28.925 29.014 -0.089 1
1 961 . 3 1 1 A 77 77 GLU N N 77 119.306 120.629 -1.323 1
1 962 . 3 1 1 A 78 78 GLU H H 78 8.595 8.234 0.361 1
1 963 . 3 1 1 A 78 78 GLU HA H 78 4.099 4.021 0.078 1
1 968 . 3 1 1 A 78 78 GLU C C 78 180.586 178.569 2.017 1
1 969 . 3 1 1 A 78 78 GLU CA C 78 58.850 59.187 -0.337 1
1 970 . 3 1 1 A 78 78 GLU CB C 78 29.878 29.259 0.619 1
1 972 . 3 1 1 A 78 78 GLU N N 78 120.814 118.972 1.842 1
1 973 . 3 1 1 A 79 79 SER H H 79 7.519 7.831 -0.312 1
1 974 . 3 1 1 A 79 79 SER HA H 79 4.592 4.513 0.079 1
1 977 . 3 1 1 A 79 79 SER C C 79 177.761 173.687 4.074 1
1 978 . 3 1 1 A 79 79 SER CA C 79 58.324 58.216 0.108 1
1 979 . 3 1 1 A 79 79 SER CB C 79 63.796 63.306 0.490 1
1 980 . 3 1 1 A 79 79 SER N N 79 110.823 111.988 -1.165 1
1 981 . 3 1 1 A 80 80 ASN H H 80 8.126 7.996 0.130 1
1 982 . 3 1 1 A 80 80 ASN HA H 80 4.700 4.461 0.239 1
1 985 . 3 1 1 A 80 80 ASN C C 80 172.562 175.807 -3.245 1
1 986 . 3 1 1 A 80 80 ASN CA C 80 53.603 54.142 -0.539 1
1 987 . 3 1 1 A 80 80 ASN CB C 80 36.754 37.506 -0.752 1
1 988 . 3 1 1 A 80 80 ASN N N 80 117.027 118.391 -1.364 1
1 989 . 3 1 1 A 81 81 LEU H H 81 8.526 8.068 0.458 1
1 990 . 3 1 1 A 81 81 LEU HA H 81 4.767 4.549 0.218 1
1 1000 . 3 1 1 A 81 81 LEU C C 81 175.743 177.881 -2.138 1
1 1001 . 3 1 1 A 81 81 LEU CA C 81 54.008 53.955 0.053 1
1 1002 . 3 1 1 A 81 81 LEU CB C 81 45.026 42.395 2.631 1
1 1006 . 3 1 1 A 81 81 LEU N N 81 114.910 119.952 -5.042 1
1 1007 . 3 1 1 A 82 82 THR H H 82 7.848 7.709 0.139 1
1 1008 . 3 1 1 A 82 82 THR HA H 82 4.117 3.878 0.239 1
1 1013 . 3 1 1 A 82 82 THR C C 82 176.676 176.327 0.349 1
1 1014 . 3 1 1 A 82 82 THR CA C 82 67.474 66.949 0.525 1
1 1015 . 3 1 1 A 82 82 THR CB C 82 68.235 68.574 -0.339 1
1 1017 . 3 1 1 A 82 82 THR N N 82 117.802 114.594 3.208 1
1 1018 . 3 1 1 A 83 83 GLU H H 83 8.335 8.425 -0.090 1
1 1019 . 3 1 1 A 83 83 GLU HA H 83 3.915 3.954 -0.039 1
1 1024 . 3 1 1 A 83 83 GLU C C 83 175.177 178.335 -3.158 1
1 1025 . 3 1 1 A 83 83 GLU CA C 83 59.541 59.351 0.190 1
1 1026 . 3 1 1 A 83 83 GLU CB C 83 27.819 29.413 -1.594 1
1 1028 . 3 1 1 A 83 83 GLU N N 83 118.314 121.769 -3.455 1
1 1029 . 3 1 1 A 84 84 TYR H H 84 8.043 8.403 -0.360 1
1 1030 . 3 1 1 A 84 84 TYR HA H 84 4.111 4.105 0.006 1
1 1037 . 3 1 1 A 84 84 TYR C C 84 179.081 177.235 1.846 1
1 1038 . 3 1 1 A 84 84 TYR CA C 84 60.788 61.376 -0.588 1
1 1039 . 3 1 1 A 84 84 TYR CB C 84 37.753 38.948 -1.195 1
1 1040 . 3 1 1 A 84 84 TYR N N 84 121.386 121.288 0.098 1
1 1041 . 3 1 1 A 85 85 MET H H 85 8.101 8.082 0.019 1
1 1042 . 3 1 1 A 85 85 MET HA H 85 4.259 4.391 -0.132 1
1 1047 . 3 1 1 A 85 85 MET C C 85 178.628 177.626 1.002 1
1 1048 . 3 1 1 A 85 85 MET CA C 85 55.244 57.453 -2.209 1
1 1049 . 3 1 1 A 85 85 MET CB C 85 29.597 32.327 -2.730 1
1 1051 . 3 1 1 A 85 85 MET N N 85 116.695 117.258 -0.563 1
1 1052 . 3 1 1 A 86 86 LYS H H 86 7.301 7.495 -0.194 1
1 1053 . 3 1 1 A 86 86 LYS HA H 86 3.937 4.144 -0.207 1
1 1062 . 3 1 1 A 86 86 LYS C C 86 175.934 176.585 -0.651 1
1 1063 . 3 1 1 A 86 86 LYS CA C 86 57.318 58.174 -0.856 1
1 1064 . 3 1 1 A 86 86 LYS CB C 86 32.956 32.468 0.488 1
1 1068 . 3 1 1 A 86 86 LYS N N 86 114.957 119.228 -4.271 1
1 1069 . 3 1 1 A 87 87 GLU H H 87 7.031 7.756 -0.725 1
1 1070 . 3 1 1 A 87 87 GLU HA H 87 4.185 4.223 -0.038 1
1 1075 . 3 1 1 A 87 87 GLU C C 87 176.247 175.971 0.276 1
1 1076 . 3 1 1 A 87 87 GLU CA C 87 55.780 56.519 -0.739 1
1 1077 . 3 1 1 A 87 87 GLU CB C 87 29.358 30.258 -0.900 1
1 1079 . 3 1 1 A 87 87 GLU N N 87 119.315 120.514 -1.199 1
1 1080 . 3 1 1 A 88 88 LYS H H 88 8.466 8.732 -0.266 1
1 1081 . 3 1 1 A 88 88 LYS HA H 88 4.568 4.864 -0.296 1
1 1090 . 3 1 1 A 88 88 LYS C C 88 175.539 175.827 -0.288 1
1 1091 . 3 1 1 A 88 88 LYS CA C 88 55.271 55.140 0.131 1
1 1092 . 3 1 1 A 88 88 LYS CB C 88 33.457 34.203 -0.746 1
1 1096 . 3 1 1 A 88 88 LYS N N 88 127.402 123.003 4.399 1
1 1097 . 3 1 1 A 89 89 ILE H H 89 8.752 8.533 0.219 1
1 1098 . 3 1 1 A 89 89 ILE HA H 89 4.249 4.199 0.050 1
1 1108 . 3 1 1 A 89 89 ILE C C 89 176.471 176.395 0.076 1
1 1109 . 3 1 1 A 89 89 ILE CA C 89 59.014 61.307 -2.293 1
1 1110 . 3 1 1 A 89 89 ILE CB C 89 38.437 37.922 0.515 1
1 1114 . 3 1 1 A 89 89 ILE N N 89 122.906 123.790 -0.884 1
1 1115 . 3 1 1 A 90 90 LYS H H 90 8.394 9.368 -0.974 1
1 1116 . 3 1 1 A 90 90 LYS HA H 90 4.284 4.078 0.206 1
1 1125 . 3 1 1 A 90 90 LYS C C 90 175.276 176.042 -0.766 1
1 1126 . 3 1 1 A 90 90 LYS CA C 90 55.821 58.349 -2.528 1
1 1127 . 3 1 1 A 90 90 LYS CB C 90 31.860 31.149 0.711 1
1 1131 . 3 1 1 A 90 90 LYS N N 90 125.894 124.234 1.660 1
1 1132 . 3 1 1 A 91 91 ILE H H 91 8.141 8.752 -0.611 1
1 1133 . 3 1 1 A 91 91 ILE HA H 91 4.165 3.740 0.425 1
1 1143 . 3 1 1 A 91 91 ILE C C 91 175.506 174.564 0.942 1
1 1144 . 3 1 1 A 91 91 ILE CA C 91 59.516 62.609 -3.093 1
1 1145 . 3 1 1 A 91 91 ILE CB C 91 37.991 36.404 1.587 1
1 1149 . 3 1 1 A 91 91 ILE N N 91 124.934 117.699 7.235 1
1 1150 . 3 1 1 A 92 92 ARG H H 92 8.488 7.514 0.974 1
1 1151 . 3 1 1 A 92 92 ARG HA H 92 4.318 4.868 -0.550 1
1 1158 . 3 1 1 A 92 92 ARG C C 92 175.508 174.470 1.038 1
1 1159 . 3 1 1 A 92 92 ARG CA C 92 55.708 54.177 1.531 1
1 1160 . 3 1 1 A 92 92 ARG CB C 92 30.394 33.900 -3.506 1
1 1163 . 3 1 1 A 92 92 ARG N N 92 126.033 120.230 5.803 1
1 1164 . 3 1 1 A 93 93 MET H H 93 8.362 8.878 -0.516 1
1 1165 . 3 1 1 A 93 93 MET C C 93 175.367 174.597 0.770 1
1 1166 . 3 1 1 A 93 93 MET CA C 93 52.994 52.895 0.099 1
1 1167 . 3 1 1 A 93 93 MET CB C 93 32.271 33.903 -1.632 1
1 1168 . 3 1 1 A 93 93 MET N N 93 123.282 124.292 -1.010 1
1 1169 . 3 1 1 A 94 94 PRO HA H 94 4.505 4.440 0.065 1
1 1176 . 3 1 1 A 94 94 PRO CA C 94 62.884 63.200 -0.316 1
1 1177 . 3 1 1 A 94 94 PRO CB C 94 31.885 31.845 0.040 1
1 1180 . 3 1 1 A 95 95 THR H H 95 8.180 8.436 -0.256 1
1 1181 . 3 1 1 A 95 95 THR HA H 95 4.320 4.542 -0.222 1
1 1186 . 3 1 1 A 95 95 THR C C 95 176.463 173.374 3.089 1
1 1187 . 3 1 1 A 95 95 THR CA C 95 61.391 61.504 -0.113 1
1 1188 . 3 1 1 A 95 95 THR CB C 95 69.583 69.352 0.231 1
1 1190 . 3 1 1 A 95 95 THR N N 95 114.511 117.329 -2.818 1
1 1 . 4 1 1 A 2 2 PRO HA H 2 4.279 4.484 -0.205 1
1 8 . 4 1 1 A 2 2 PRO CA C 2 61.757 63.062 -1.305 1
1 9 . 4 1 1 A 2 2 PRO CB C 2 32.181 31.967 0.214 1
1 12 . 4 1 1 A 3 3 ALA H H 3 8.418 8.469 -0.051 1
1 13 . 4 1 1 A 3 3 ALA HA H 3 4.242 4.890 -0.648 1
1 17 . 4 1 1 A 3 3 ALA C C 3 171.733 176.059 -4.326 1
1 18 . 4 1 1 A 3 3 ALA CA C 3 53.120 51.337 1.783 1
1 19 . 4 1 1 A 3 3 ALA CB C 3 19.076 21.035 -1.959 1
1 20 . 4 1 1 A 3 3 ALA N N 3 122.573 126.036 -3.463 1
1 21 . 4 1 1 A 4 4 ILE H H 4 8.389 9.280 -0.891 1
1 22 . 4 1 1 A 4 4 ILE HA H 4 3.730 4.445 -0.715 1
1 32 . 4 1 1 A 4 4 ILE C C 4 177.391 174.647 2.744 1
1 33 . 4 1 1 A 4 4 ILE CA C 4 60.039 61.042 -1.003 1
1 34 . 4 1 1 A 4 4 ILE CB C 4 34.720 36.674 -1.954 1
1 38 . 4 1 1 A 4 4 ILE N N 4 119.283 124.409 -5.126 1
1 39 . 4 1 1 A 5 5 GLU H H 5 6.799 8.715 -1.916 1
1 40 . 4 1 1 A 5 5 GLU HA H 5 4.630 4.788 -0.158 1
1 45 . 4 1 1 A 5 5 GLU C C 5 173.009 176.131 -3.122 1
1 46 . 4 1 1 A 5 5 GLU CA C 5 53.474 54.370 -0.896 1
1 47 . 4 1 1 A 5 5 GLU CB C 5 32.091 33.128 -1.037 1
1 49 . 4 1 1 A 5 5 GLU N N 5 122.616 125.332 -2.716 1
1 50 . 4 1 1 A 6 6 VAL H H 6 8.899 8.586 0.313 1
1 51 . 4 1 1 A 6 6 VAL HA H 6 3.318 3.954 -0.636 1
1 59 . 4 1 1 A 6 6 VAL C C 6 174.172 176.508 -2.336 1
1 60 . 4 1 1 A 6 6 VAL CA C 6 65.581 63.671 1.910 1
1 61 . 4 1 1 A 6 6 VAL CB C 6 30.939 31.274 -0.335 1
1 64 . 4 1 1 A 6 6 VAL N N 6 122.205 124.640 -2.435 1
1 65 . 4 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 4 1 1 A 7 7 GLY HA2 H 7 5.016 4.014 1.002 1
1 67 . 4 1 1 A 7 7 GLY HA3 H 7 3.187 4.016 -0.829 1
1 68 . 4 1 1 A 7 7 GLY C C 7 176.688 174.146 2.542 1
1 69 . 4 1 1 A 7 7 GLY CA C 7 44.580 45.128 -0.548 1
1 70 . 4 1 1 A 7 7 GLY N N 7 115.742 115.252 0.490 1
1 71 . 4 1 1 A 8 8 ARG H H 8 8.128 7.911 0.217 1
1 72 . 4 1 1 A 8 8 ARG HA H 8 4.226 4.524 -0.298 1
1 79 . 4 1 1 A 8 8 ARG C C 8 173.667 175.448 -1.781 1
1 80 . 4 1 1 A 8 8 ARG CA C 8 54.906 55.243 -0.337 1
1 81 . 4 1 1 A 8 8 ARG CB C 8 29.331 31.127 -1.796 1
1 84 . 4 1 1 A 8 8 ARG N N 8 120.180 121.669 -1.489 1
1 85 . 4 1 1 A 9 9 ILE H H 9 8.571 8.594 -0.023 1
1 86 . 4 1 1 A 9 9 ILE HA H 9 4.965 4.202 0.763 1
1 96 . 4 1 1 A 9 9 ILE C C 9 175.361 175.602 -0.241 1
1 97 . 4 1 1 A 9 9 ILE CA C 9 61.241 62.378 -1.137 1
1 98 . 4 1 1 A 9 9 ILE CB C 9 36.712 37.233 -0.521 1
1 102 . 4 1 1 A 9 9 ILE N N 9 129.626 126.658 2.968 1
1 103 . 4 1 1 A 10 10 CYS H H 10 9.614 8.881 0.733 1
1 104 . 4 1 1 A 10 10 CYS HA H 10 5.471 5.308 0.163 1
1 107 . 4 1 1 A 10 10 CYS C C 10 177.158 172.884 4.274 1
1 108 . 4 1 1 A 10 10 CYS CA C 10 57.088 57.105 -0.017 1
1 109 . 4 1 1 A 10 10 CYS CB C 10 32.935 30.848 2.087 1
1 110 . 4 1 1 A 10 10 CYS N N 10 126.595 127.544 -0.949 1
1 111 . 4 1 1 A 11 11 VAL H H 11 8.926 8.529 0.397 1
1 112 . 4 1 1 A 11 11 VAL HA H 11 4.351 4.942 -0.591 1
1 120 . 4 1 1 A 11 11 VAL C C 11 172.010 173.885 -1.875 1
1 121 . 4 1 1 A 11 11 VAL CA C 11 60.857 59.454 1.403 1
1 122 . 4 1 1 A 11 11 VAL CB C 11 33.989 35.303 -1.314 1
1 125 . 4 1 1 A 11 11 VAL N N 11 119.765 120.975 -1.210 1
1 126 . 4 1 1 A 12 12 LYS H H 12 8.961 8.560 0.401 1
1 127 . 4 1 1 A 12 12 LYS HA H 12 4.510 4.655 -0.145 1
1 136 . 4 1 1 A 12 12 LYS C C 12 175.625 177.395 -1.770 1
1 137 . 4 1 1 A 12 12 LYS CA C 12 56.422 55.226 1.196 1
1 138 . 4 1 1 A 12 12 LYS CB C 12 32.726 30.617 2.109 1
1 142 . 4 1 1 A 12 12 LYS N N 12 127.967 126.964 1.003 1
1 143 . 4 1 1 A 13 13 VAL H H 13 8.522 7.845 0.677 1
1 144 . 4 1 1 A 13 13 VAL HA H 13 4.518 3.709 0.809 1
1 152 . 4 1 1 A 13 13 VAL C C 13 176.284 176.629 -0.345 1
1 153 . 4 1 1 A 13 13 VAL CA C 13 61.492 65.352 -3.860 1
1 154 . 4 1 1 A 13 13 VAL CB C 13 32.089 31.462 0.627 1
1 157 . 4 1 1 A 13 13 VAL N N 13 118.593 121.823 -3.230 1
1 158 . 4 1 1 A 14 14 LYS H H 14 7.310 7.851 -0.541 1
1 159 . 4 1 1 A 14 14 LYS HA H 14 4.580 4.451 0.129 1
1 168 . 4 1 1 A 14 14 LYS C C 14 174.043 178.006 -3.963 1
1 169 . 4 1 1 A 14 14 LYS CA C 14 54.090 55.633 -1.543 1
1 170 . 4 1 1 A 14 14 LYS CB C 14 36.489 32.771 3.718 1
1 174 . 4 1 1 A 14 14 LYS N N 14 117.809 120.867 -3.058 1
1 175 . 4 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 4 1 1 A 15 15 GLY HA2 H 15 4.264 3.833 0.431 1
1 177 . 4 1 1 A 15 15 GLY HA3 H 15 3.845 3.882 -0.037 1
1 178 . 4 1 1 A 15 15 GLY C C 15 175.166 174.722 0.444 1
1 179 . 4 1 1 A 15 15 GLY CA C 15 43.993 45.870 -1.877 1
1 180 . 4 1 1 A 15 15 GLY N N 15 108.732 108.083 0.649 1
1 181 . 4 1 1 A 16 16 ARG H H 16 8.618 7.849 0.769 1
1 182 . 4 1 1 A 16 16 ARG HA H 16 4.082 3.781 0.301 1
1 189 . 4 1 1 A 16 16 ARG C C 16 174.254 176.305 -2.051 1
1 190 . 4 1 1 A 16 16 ARG CA C 16 57.950 59.004 -1.054 1
1 191 . 4 1 1 A 16 16 ARG CB C 16 29.776 28.381 1.395 1
1 194 . 4 1 1 A 16 16 ARG N N 16 120.561 113.956 6.605 1
1 195 . 4 1 1 A 17 17 GLU H H 17 8.935 8.498 0.437 1
1 196 . 4 1 1 A 17 17 GLU HA H 17 4.190 4.429 -0.239 1
1 201 . 4 1 1 A 17 17 GLU C C 17 177.426 175.704 1.722 1
1 202 . 4 1 1 A 17 17 GLU CA C 17 55.386 56.050 -0.664 1
1 203 . 4 1 1 A 17 17 GLU CB C 17 27.412 30.461 -3.049 1
1 205 . 4 1 1 A 17 17 GLU N N 17 115.930 116.925 -0.995 1
1 206 . 4 1 1 A 18 18 ALA H H 18 7.267 8.058 -0.791 1
1 207 . 4 1 1 A 18 18 ALA HA H 18 3.737 4.489 -0.752 1
1 211 . 4 1 1 A 18 18 ALA C C 18 174.969 177.573 -2.604 1
1 212 . 4 1 1 A 18 18 ALA CA C 18 53.272 53.330 -0.058 1
1 213 . 4 1 1 A 18 18 ALA CB C 18 17.382 17.241 0.141 1
1 214 . 4 1 1 A 18 18 ALA N N 18 120.485 121.099 -0.614 1
1 215 . 4 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 4 1 1 A 19 19 GLY HA2 H 19 4.680 3.869 0.811 1
1 217 . 4 1 1 A 19 19 GLY HA3 H 19 3.451 3.877 -0.426 1
1 218 . 4 1 1 A 19 19 GLY C C 19 178.386 173.731 4.655 1
1 219 . 4 1 1 A 19 19 GLY CA C 19 44.905 46.001 -1.096 1
1 220 . 4 1 1 A 19 19 GLY N N 19 112.194 105.024 7.170 1
1 221 . 4 1 1 A 20 20 SER H H 20 8.162 7.753 0.409 1
1 222 . 4 1 1 A 20 20 SER HA H 20 4.861 5.009 -0.148 1
1 225 . 4 1 1 A 20 20 SER C C 20 173.441 172.328 1.113 1
1 226 . 4 1 1 A 20 20 SER CA C 20 58.253 57.214 1.039 1
1 227 . 4 1 1 A 20 20 SER CB C 20 64.447 65.726 -1.279 1
1 228 . 4 1 1 A 20 20 SER N N 20 115.207 113.207 2.000 1
1 229 . 4 1 1 A 21 21 LYS H H 21 8.836 8.660 0.176 1
1 230 . 4 1 1 A 21 21 LYS HA H 21 5.369 5.149 0.220 1
1 239 . 4 1 1 A 21 21 LYS C C 21 172.859 175.414 -2.555 1
1 240 . 4 1 1 A 21 21 LYS CA C 21 55.508 54.596 0.912 1
1 241 . 4 1 1 A 21 21 LYS CB C 21 34.795 35.862 -1.067 1
1 245 . 4 1 1 A 21 21 LYS N N 21 121.269 122.801 -1.532 1
1 246 . 4 1 1 A 22 22 CYS H H 22 8.905 9.269 -0.364 1
1 247 . 4 1 1 A 22 22 CYS HA H 22 5.527 5.166 0.361 1
1 250 . 4 1 1 A 22 22 CYS C C 22 174.204 172.665 1.539 1
1 251 . 4 1 1 A 22 22 CYS CA C 22 55.584 56.608 -1.024 1
1 252 . 4 1 1 A 22 22 CYS CB C 22 30.941 31.307 -0.366 1
1 253 . 4 1 1 A 22 22 CYS N N 22 110.073 118.691 -8.618 1
1 254 . 4 1 1 A 23 23 VAL H H 23 9.325 8.970 0.355 1
1 255 . 4 1 1 A 23 23 VAL HA H 23 4.761 4.662 0.099 1
1 263 . 4 1 1 A 23 23 VAL C C 23 171.121 175.514 -4.393 1
1 264 . 4 1 1 A 23 23 VAL CA C 23 60.552 61.022 -0.470 1
1 265 . 4 1 1 A 23 23 VAL CB C 23 35.141 34.363 0.778 1
1 268 . 4 1 1 A 23 23 VAL N N 23 119.042 121.256 -2.214 1
1 269 . 4 1 1 A 24 24 ILE H H 24 8.239 9.006 -0.767 1
1 270 . 4 1 1 A 24 24 ILE HA H 24 4.239 4.105 0.134 1
1 280 . 4 1 1 A 24 24 ILE C C 24 175.805 176.887 -1.082 1
1 281 . 4 1 1 A 24 24 ILE CA C 24 62.552 61.365 1.187 1
1 282 . 4 1 1 A 24 24 ILE CB C 24 36.819 36.789 0.030 1
1 286 . 4 1 1 A 24 24 ILE N N 24 124.259 126.935 -2.676 1
1 287 . 4 1 1 A 25 25 VAL H H 25 9.205 9.029 0.176 1
1 288 . 4 1 1 A 25 25 VAL HA H 25 4.689 4.426 0.263 1
1 296 . 4 1 1 A 25 25 VAL C C 25 175.650 175.526 0.124 1
1 297 . 4 1 1 A 25 25 VAL CA C 25 60.947 62.015 -1.068 1
1 298 . 4 1 1 A 25 25 VAL CB C 25 32.986 33.413 -0.427 1
1 301 . 4 1 1 A 25 25 VAL N N 25 121.805 121.667 0.138 1
1 302 . 4 1 1 A 26 26 ASP H H 26 8.103 7.595 0.508 1
1 303 . 4 1 1 A 26 26 ASP HA H 26 4.771 5.203 -0.432 1
1 306 . 4 1 1 A 26 26 ASP C C 26 174.343 173.575 0.768 1
1 307 . 4 1 1 A 26 26 ASP CA C 26 53.671 53.348 0.323 1
1 308 . 4 1 1 A 26 26 ASP CB C 26 43.563 44.791 -1.228 1
1 309 . 4 1 1 A 26 26 ASP N N 26 118.459 119.694 -1.235 1
1 310 . 4 1 1 A 27 27 ILE H H 27 9.092 9.006 0.086 1
1 311 . 4 1 1 A 27 27 ILE HA H 27 4.273 4.608 -0.335 1
1 321 . 4 1 1 A 27 27 ILE C C 27 173.976 175.488 -1.512 1
1 322 . 4 1 1 A 27 27 ILE CA C 27 60.306 60.367 -0.061 1
1 323 . 4 1 1 A 27 27 ILE CB C 27 38.339 39.519 -1.180 1
1 327 . 4 1 1 A 27 27 ILE N N 27 124.375 124.093 0.282 1
1 328 . 4 1 1 A 28 28 ILE H H 28 8.055 8.866 -0.811 1
1 329 . 4 1 1 A 28 28 ILE HA H 28 3.986 4.069 -0.083 1
1 339 . 4 1 1 A 28 28 ILE C C 28 174.733 176.053 -1.320 1
1 340 . 4 1 1 A 28 28 ILE CA C 28 62.414 63.316 -0.902 1
1 341 . 4 1 1 A 28 28 ILE CB C 28 37.450 38.606 -1.156 1
1 345 . 4 1 1 A 28 28 ILE N N 28 127.525 129.204 -1.679 1
1 346 . 4 1 1 A 29 29 ASP H H 29 8.438 7.848 0.590 1
1 347 . 4 1 1 A 29 29 ASP HA H 29 4.522 4.972 -0.450 1
1 350 . 4 1 1 A 29 29 ASP C C 29 175.289 176.089 -0.800 1
1 351 . 4 1 1 A 29 29 ASP CA C 29 53.316 52.759 0.557 1
1 352 . 4 1 1 A 29 29 ASP CB C 29 39.450 42.169 -2.719 1
1 353 . 4 1 1 A 29 29 ASP N N 29 118.886 118.179 0.707 1
1 354 . 4 1 1 A 30 30 ASP H H 30 8.140 8.806 -0.666 1
1 355 . 4 1 1 A 30 30 ASP HA H 30 4.375 4.593 -0.218 1
1 358 . 4 1 1 A 30 30 ASP C C 30 174.332 177.346 -3.014 1
1 359 . 4 1 1 A 30 30 ASP CA C 30 56.171 55.351 0.820 1
1 360 . 4 1 1 A 30 30 ASP CB C 30 40.302 40.997 -0.695 1
1 361 . 4 1 1 A 30 30 ASP N N 30 112.219 118.333 -6.114 1
1 362 . 4 1 1 A 31 31 ASN H H 31 8.866 8.897 -0.031 1
1 363 . 4 1 1 A 31 31 ASN HA H 31 4.805 4.970 -0.165 1
1 366 . 4 1 1 A 31 31 ASN C C 31 175.926 174.300 1.626 1
1 367 . 4 1 1 A 31 31 ASN CA C 31 54.015 54.681 -0.666 1
1 368 . 4 1 1 A 31 31 ASN CB C 31 42.366 41.195 1.171 1
1 369 . 4 1 1 A 31 31 ASN N N 31 114.650 116.863 -2.213 1
1 370 . 4 1 1 A 32 32 PHE H H 32 8.481 8.428 0.053 1
1 371 . 4 1 1 A 32 32 PHE HA H 32 5.279 5.117 0.162 1
1 376 . 4 1 1 A 32 32 PHE C C 32 173.451 175.527 -2.076 1
1 377 . 4 1 1 A 32 32 PHE CA C 32 57.629 56.932 0.697 1
1 378 . 4 1 1 A 32 32 PHE CB C 32 42.418 40.276 2.142 1
1 379 . 4 1 1 A 32 32 PHE N N 32 117.648 116.541 1.107 1
1 380 . 4 1 1 A 33 33 VAL H H 33 8.680 8.806 -0.126 1
1 381 . 4 1 1 A 33 33 VAL HA H 33 4.720 4.990 -0.270 1
1 389 . 4 1 1 A 33 33 VAL C C 33 174.458 173.873 0.585 1
1 390 . 4 1 1 A 33 33 VAL CA C 33 58.331 59.088 -0.757 1
1 391 . 4 1 1 A 33 33 VAL CB C 33 34.410 35.468 -1.058 1
1 394 . 4 1 1 A 33 33 VAL N N 33 110.814 117.954 -7.140 1
1 395 . 4 1 1 A 34 34 LEU H H 34 8.696 9.024 -0.328 1
1 396 . 4 1 1 A 34 34 LEU HA H 34 4.871 4.978 -0.107 1
1 406 . 4 1 1 A 34 34 LEU C C 34 172.716 175.816 -3.100 1
1 407 . 4 1 1 A 34 34 LEU CA C 34 53.776 53.597 0.179 1
1 408 . 4 1 1 A 34 34 LEU CB C 34 44.582 43.562 1.020 1
1 412 . 4 1 1 A 34 34 LEU N N 34 123.160 124.651 -1.491 1
1 413 . 4 1 1 A 35 35 VAL H H 35 8.460 8.963 -0.503 1
1 414 . 4 1 1 A 35 35 VAL HA H 35 5.674 5.375 0.299 1
1 422 . 4 1 1 A 35 35 VAL C C 35 176.009 174.573 1.436 1
1 423 . 4 1 1 A 35 35 VAL CA C 35 57.423 59.670 -2.247 1
1 424 . 4 1 1 A 35 35 VAL CB C 35 35.541 34.590 0.951 1
1 427 . 4 1 1 A 35 35 VAL N N 35 119.184 121.681 -2.497 1
1 428 . 4 1 1 A 36 36 THR H H 36 8.362 8.841 -0.479 1
1 429 . 4 1 1 A 36 36 THR HA H 36 4.535 4.691 -0.156 1
1 434 . 4 1 1 A 36 36 THR C C 36 173.498 172.404 1.094 1
1 435 . 4 1 1 A 36 36 THR CA C 36 59.643 60.018 -0.375 1
1 436 . 4 1 1 A 36 36 THR CB C 36 70.439 70.160 0.279 1
1 438 . 4 1 1 A 36 36 THR N N 36 109.151 116.950 -7.799 1
1 439 . 4 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 4 1 1 A 37 37 GLY C C 37 172.460 172.073 0.387 1
1 441 . 4 1 1 A 37 37 GLY CA C 37 51.421 43.871 7.550 1
1 442 . 4 1 1 A 37 37 GLY N N 37 115.474 111.285 4.189 1
1 443 . 4 1 1 A 38 38 PRO HA H 38 5.235 4.791 0.444 1
1 450 . 4 1 1 A 38 38 PRO CA C 38 60.459 62.891 -2.432 1
1 451 . 4 1 1 A 38 38 PRO CB C 38 35.517 31.967 3.550 1
1 454 . 4 1 1 A 39 39 LYS H H 39 9.463 8.423 1.040 1
1 455 . 4 1 1 A 39 39 LYS HA H 39 3.545 4.482 -0.937 1
1 464 . 4 1 1 A 39 39 LYS C C 39 179.019 176.026 2.993 1
1 465 . 4 1 1 A 39 39 LYS CA C 39 60.344 54.829 5.515 1
1 466 . 4 1 1 A 39 39 LYS CB C 39 31.826 33.015 -1.189 1
1 470 . 4 1 1 A 39 39 LYS N N 39 127.869 118.321 9.548 1
1 471 . 4 1 1 A 40 40 ASP H H 40 9.035 8.877 0.158 1
1 472 . 4 1 1 A 40 40 ASP HA H 40 4.375 4.225 0.150 1
1 475 . 4 1 1 A 40 40 ASP C C 40 177.615 176.713 0.902 1
1 476 . 4 1 1 A 40 40 ASP CA C 40 55.080 56.991 -1.911 1
1 477 . 4 1 1 A 40 40 ASP CB C 40 39.209 38.683 0.526 1
1 478 . 4 1 1 A 40 40 ASP N N 40 115.744 116.917 -1.173 1
1 479 . 4 1 1 A 41 41 ILE H H 41 7.739 8.903 -1.164 1
1 480 . 4 1 1 A 41 41 ILE HA H 41 4.218 3.984 0.234 1
1 490 . 4 1 1 A 41 41 ILE C C 41 174.826 177.119 -2.293 1
1 491 . 4 1 1 A 41 41 ILE CA C 41 61.664 63.718 -2.054 1
1 492 . 4 1 1 A 41 41 ILE CB C 41 37.453 37.951 -0.498 1
1 496 . 4 1 1 A 41 41 ILE N N 41 116.447 119.273 -2.826 1
1 497 . 4 1 1 A 42 42 THR H H 42 7.766 7.977 -0.211 1
1 498 . 4 1 1 A 42 42 THR HA H 42 4.734 4.260 0.474 1
1 503 . 4 1 1 A 42 42 THR C C 42 175.827 175.438 0.389 1
1 504 . 4 1 1 A 42 42 THR CA C 42 60.110 64.404 -4.294 1
1 505 . 4 1 1 A 42 42 THR CB C 42 71.791 69.388 2.403 1
1 507 . 4 1 1 A 42 42 THR N N 42 104.054 112.510 -8.456 1
1 508 . 4 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 4 1 1 A 43 43 GLY HA2 H 43 4.461 3.943 0.518 1
1 510 . 4 1 1 A 43 43 GLY HA3 H 43 3.836 3.945 -0.109 1
1 511 . 4 1 1 A 43 43 GLY C C 43 175.208 174.851 0.357 1
1 512 . 4 1 1 A 43 43 GLY CA C 43 44.826 46.719 -1.893 1
1 513 . 4 1 1 A 43 43 GLY N N 43 109.006 109.194 -0.188 1
1 514 . 4 1 1 A 44 44 VAL H H 44 7.289 8.190 -0.901 1
1 515 . 4 1 1 A 44 44 VAL HA H 44 3.945 3.910 0.035 1
1 523 . 4 1 1 A 44 44 VAL C C 44 173.149 174.709 -1.560 1
1 524 . 4 1 1 A 44 44 VAL CA C 44 62.902 62.539 0.363 1
1 525 . 4 1 1 A 44 44 VAL CB C 44 31.715 31.261 0.454 1
1 528 . 4 1 1 A 44 44 VAL N N 44 120.903 120.770 0.133 1
1 529 . 4 1 1 A 45 45 LYS H H 45 8.308 8.485 -0.177 1
1 530 . 4 1 1 A 45 45 LYS HA H 45 4.190 4.360 -0.170 1
1 539 . 4 1 1 A 45 45 LYS C C 45 175.177 177.226 -2.049 1
1 540 . 4 1 1 A 45 45 LYS CA C 45 56.355 56.594 -0.239 1
1 541 . 4 1 1 A 45 45 LYS CB C 45 33.385 33.163 0.222 1
1 545 . 4 1 1 A 45 45 LYS N N 45 128.406 127.383 1.023 1
1 546 . 4 1 1 A 46 46 ARG H H 46 8.080 8.356 -0.276 1
1 547 . 4 1 1 A 46 46 ARG HA H 46 5.720 4.387 1.333 1
1 554 . 4 1 1 A 46 46 ARG C C 46 173.780 175.352 -1.572 1
1 555 . 4 1 1 A 46 46 ARG CA C 46 54.888 56.258 -1.370 1
1 556 . 4 1 1 A 46 46 ARG CB C 46 29.630 30.628 -0.998 1
1 559 . 4 1 1 A 46 46 ARG N N 46 120.129 122.554 -2.425 1
1 560 . 4 1 1 A 47 47 ARG H H 47 8.452 8.515 -0.063 1
1 561 . 4 1 1 A 47 47 ARG HA H 47 4.732 4.747 -0.015 1
1 568 . 4 1 1 A 47 47 ARG C C 47 176.138 174.080 2.058 1
1 569 . 4 1 1 A 47 47 ARG CA C 47 54.319 55.216 -0.897 1
1 570 . 4 1 1 A 47 47 ARG CB C 47 33.746 34.301 -0.555 1
1 573 . 4 1 1 A 47 47 ARG N N 47 126.780 120.764 6.016 1
1 574 . 4 1 1 A 48 48 ARG H H 48 8.546 8.493 0.053 1
1 575 . 4 1 1 A 48 48 ARG HA H 48 5.111 5.057 0.054 1
1 582 . 4 1 1 A 48 48 ARG C C 48 174.339 175.290 -0.951 1
1 583 . 4 1 1 A 48 48 ARG CA C 48 55.524 55.802 -0.278 1
1 584 . 4 1 1 A 48 48 ARG CB C 48 31.132 30.972 0.160 1
1 587 . 4 1 1 A 48 48 ARG N N 48 121.931 124.747 -2.816 1
1 588 . 4 1 1 A 49 49 VAL H H 49 9.485 8.624 0.861 1
1 589 . 4 1 1 A 49 49 VAL HA H 49 4.651 4.928 -0.277 1
1 597 . 4 1 1 A 49 49 VAL C C 49 176.112 174.929 1.183 1
1 598 . 4 1 1 A 49 49 VAL CA C 49 60.040 60.304 -0.264 1
1 599 . 4 1 1 A 49 49 VAL CB C 49 36.427 35.215 1.212 1
1 602 . 4 1 1 A 49 49 VAL N N 49 122.891 124.150 -1.259 1
1 603 . 4 1 1 A 50 50 ASN H H 50 8.569 8.421 0.148 1
1 604 . 4 1 1 A 50 50 ASN HA H 50 4.213 4.814 -0.601 1
1 607 . 4 1 1 A 50 50 ASN C C 50 173.258 176.757 -3.499 1
1 608 . 4 1 1 A 50 50 ASN CA C 50 52.732 51.955 0.777 1
1 609 . 4 1 1 A 50 50 ASN CB C 50 38.173 39.183 -1.010 1
1 610 . 4 1 1 A 50 50 ASN N N 50 125.736 121.236 4.500 1
1 611 . 4 1 1 A 51 51 ILE H H 51 8.601 8.109 0.492 1
1 612 . 4 1 1 A 51 51 ILE HA H 51 3.632 4.089 -0.457 1
1 622 . 4 1 1 A 51 51 ILE C C 51 176.785 177.170 -0.385 1
1 623 . 4 1 1 A 51 51 ILE CA C 51 65.046 62.128 2.918 1
1 624 . 4 1 1 A 51 51 ILE CB C 51 38.532 37.631 0.901 1
1 628 . 4 1 1 A 51 51 ILE N N 51 126.454 118.424 8.030 1
1 629 . 4 1 1 A 52 52 LEU H H 52 8.448 7.189 1.259 1
1 630 . 4 1 1 A 52 52 LEU HA H 52 4.290 4.039 0.251 1
1 640 . 4 1 1 A 52 52 LEU C C 52 176.765 177.655 -0.890 1
1 641 . 4 1 1 A 52 52 LEU CA C 52 55.880 56.559 -0.679 1
1 642 . 4 1 1 A 52 52 LEU CB C 52 40.983 41.616 -0.633 1
1 646 . 4 1 1 A 52 52 LEU N N 52 118.365 124.014 -5.649 1
1 647 . 4 1 1 A 53 53 HIS H H 53 8.358 7.830 0.528 1
1 648 . 4 1 1 A 53 53 HIS HA H 53 4.621 4.814 -0.193 1
1 651 . 4 1 1 A 53 53 HIS C C 53 178.018 173.918 4.100 1
1 652 . 4 1 1 A 53 53 HIS CA C 53 53.996 55.515 -1.519 1
1 653 . 4 1 1 A 53 53 HIS CB C 53 30.306 30.785 -0.479 1
1 654 . 4 1 1 A 53 53 HIS N N 53 116.672 115.616 1.056 1
1 655 . 4 1 1 A 54 54 LEU H H 54 7.693 7.272 0.421 1
1 656 . 4 1 1 A 54 54 LEU HA H 54 5.222 4.854 0.368 1
1 666 . 4 1 1 A 54 54 LEU C C 54 173.609 175.461 -1.852 1
1 667 . 4 1 1 A 54 54 LEU CA C 54 52.932 53.145 -0.213 1
1 668 . 4 1 1 A 54 54 LEU CB C 54 45.943 43.419 2.524 1
1 672 . 4 1 1 A 54 54 LEU N N 54 119.311 120.496 -1.185 1
1 673 . 4 1 1 A 55 55 GLU H H 55 9.073 9.069 0.004 1
1 674 . 4 1 1 A 55 55 GLU C C 55 175.102 174.306 0.796 1
1 675 . 4 1 1 A 55 55 GLU CA C 55 52.073 52.280 -0.207 1
1 676 . 4 1 1 A 55 55 GLU CB C 55 31.958 31.140 0.818 1
1 677 . 4 1 1 A 55 55 GLU N N 55 120.139 124.245 -4.106 1
1 678 . 4 1 1 A 56 56 PRO HA H 56 4.903 4.851 0.052 1
1 685 . 4 1 1 A 56 56 PRO CA C 56 63.121 62.403 0.718 1
1 686 . 4 1 1 A 56 56 PRO CB C 56 32.274 32.461 -0.187 1
1 689 . 4 1 1 A 57 57 THR H H 57 8.502 8.106 0.396 1
1 690 . 4 1 1 A 57 57 THR HA H 57 4.932 4.525 0.407 1
1 695 . 4 1 1 A 57 57 THR C C 57 175.894 175.487 0.407 1
1 696 . 4 1 1 A 57 57 THR CA C 57 60.602 60.661 -0.059 1
1 697 . 4 1 1 A 57 57 THR CB C 57 71.821 71.030 0.791 1
1 699 . 4 1 1 A 57 57 THR N N 57 113.388 113.263 0.125 1
1 700 . 4 1 1 A 58 58 ASP H H 58 8.605 8.715 -0.110 1
1 701 . 4 1 1 A 58 58 ASP HA H 58 4.445 4.405 0.040 1
1 704 . 4 1 1 A 58 58 ASP C C 58 173.673 177.122 -3.449 1
1 705 . 4 1 1 A 58 58 ASP CA C 58 53.743 56.880 -3.137 1
1 706 . 4 1 1 A 58 58 ASP CB C 58 39.622 40.764 -1.142 1
1 707 . 4 1 1 A 58 58 ASP N N 58 115.340 120.673 -5.333 1
1 708 . 4 1 1 A 59 59 LYS H H 59 8.544 7.827 0.717 1
1 709 . 4 1 1 A 59 59 LYS HA H 59 4.646 4.302 0.344 1
1 718 . 4 1 1 A 59 59 LYS C C 59 174.972 176.155 -1.183 1
1 719 . 4 1 1 A 59 59 LYS CA C 59 54.336 57.028 -2.692 1
1 720 . 4 1 1 A 59 59 LYS CB C 59 34.626 33.536 1.090 1
1 724 . 4 1 1 A 59 59 LYS N N 59 119.488 118.874 0.614 1
1 725 . 4 1 1 A 60 60 LYS H H 60 8.227 8.377 -0.150 1
1 726 . 4 1 1 A 60 60 LYS HA H 60 4.999 4.747 0.252 1
1 735 . 4 1 1 A 60 60 LYS C C 60 174.256 174.635 -0.379 1
1 736 . 4 1 1 A 60 60 LYS CA C 60 54.465 55.755 -1.290 1
1 737 . 4 1 1 A 60 60 LYS CB C 60 36.153 36.221 -0.068 1
1 741 . 4 1 1 A 60 60 LYS N N 60 121.112 121.696 -0.584 1
1 742 . 4 1 1 A 61 61 ILE H H 61 8.527 8.890 -0.363 1
1 743 . 4 1 1 A 61 61 ILE HA H 61 4.724 4.894 -0.170 1
1 753 . 4 1 1 A 61 61 ILE C C 61 174.330 174.111 0.219 1
1 754 . 4 1 1 A 61 61 ILE CA C 61 58.831 59.783 -0.952 1
1 755 . 4 1 1 A 61 61 ILE CB C 61 41.357 39.590 1.767 1
1 759 . 4 1 1 A 61 61 ILE N N 61 116.027 122.878 -6.851 1
1 760 . 4 1 1 A 62 62 ASP H H 62 8.513 8.921 -0.408 1
1 761 . 4 1 1 A 62 62 ASP HA H 62 4.732 4.925 -0.193 1
1 764 . 4 1 1 A 62 62 ASP C C 62 174.224 175.905 -1.681 1
1 765 . 4 1 1 A 62 62 ASP CA C 62 53.163 53.560 -0.397 1
1 766 . 4 1 1 A 62 62 ASP CB C 62 39.686 41.292 -1.606 1
1 767 . 4 1 1 A 62 62 ASP N N 62 121.643 126.935 -5.292 1
1 768 . 4 1 1 A 63 63 ILE H H 63 7.389 8.379 -0.990 1
1 769 . 4 1 1 A 63 63 ILE HA H 63 4.641 5.164 -0.523 1
1 779 . 4 1 1 A 63 63 ILE C C 63 174.484 174.841 -0.357 1
1 780 . 4 1 1 A 63 63 ILE CA C 63 58.244 58.617 -0.373 1
1 781 . 4 1 1 A 63 63 ILE CB C 63 41.811 41.742 0.069 1
1 785 . 4 1 1 A 63 63 ILE N N 63 114.509 120.127 -5.618 1
1 786 . 4 1 1 A 64 64 GLN H H 64 8.529 8.501 0.028 1
1 787 . 4 1 1 A 64 64 GLN HA H 64 4.390 4.795 -0.405 1
1 792 . 4 1 1 A 64 64 GLN C C 64 174.409 174.091 0.318 1
1 793 . 4 1 1 A 64 64 GLN CA C 64 53.860 53.801 0.059 1
1 794 . 4 1 1 A 64 64 GLN CB C 64 30.086 32.344 -2.258 1
1 796 . 4 1 1 A 64 64 GLN N N 64 119.145 119.912 -0.767 1
1 797 . 4 1 1 A 65 65 LYS H H 65 8.323 8.502 -0.179 1
1 798 . 4 1 1 A 65 65 LYS HA H 65 4.132 4.240 -0.108 1
1 807 . 4 1 1 A 65 65 LYS C C 65 174.920 177.318 -2.398 1
1 808 . 4 1 1 A 65 65 LYS CA C 65 57.603 57.754 -0.151 1
1 809 . 4 1 1 A 65 65 LYS CB C 65 32.341 32.954 -0.613 1
1 813 . 4 1 1 A 65 65 LYS N N 65 119.780 122.019 -2.239 1
1 814 . 4 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 4 1 1 A 66 66 GLY HA2 H 66 4.093 3.982 0.111 1
1 816 . 4 1 1 A 66 66 GLY HA3 H 66 3.297 3.983 -0.686 1
1 817 . 4 1 1 A 66 66 GLY C C 66 177.892 174.656 3.236 1
1 818 . 4 1 1 A 66 66 GLY CA C 66 44.953 45.113 -0.160 1
1 819 . 4 1 1 A 66 66 GLY N N 66 112.449 114.815 -2.366 1
1 820 . 4 1 1 A 67 67 ALA H H 67 7.545 8.101 -0.556 1
1 821 . 4 1 1 A 67 67 ALA HA H 67 4.081 4.396 -0.315 1
1 825 . 4 1 1 A 67 67 ALA C C 67 173.517 178.051 -4.534 1
1 826 . 4 1 1 A 67 67 ALA CA C 67 52.802 52.213 0.589 1
1 827 . 4 1 1 A 67 67 ALA CB C 67 20.424 19.569 0.855 1
1 828 . 4 1 1 A 67 67 ALA N N 67 121.516 124.394 -2.878 1
1 829 . 4 1 1 A 68 68 SER H H 68 8.904 8.746 0.158 1
1 830 . 4 1 1 A 68 68 SER HA H 68 4.261 4.861 -0.600 1
1 833 . 4 1 1 A 68 68 SER C C 68 177.019 175.164 1.855 1
1 834 . 4 1 1 A 68 68 SER CA C 68 57.321 56.666 0.655 1
1 835 . 4 1 1 A 68 68 SER CB C 68 65.064 66.071 -1.007 1
1 836 . 4 1 1 A 68 68 SER N N 68 119.470 116.711 2.759 1
1 837 . 4 1 1 A 69 69 ASP H H 69 9.379 9.023 0.356 1
1 838 . 4 1 1 A 69 69 ASP HA H 69 4.184 4.199 -0.015 1
1 841 . 4 1 1 A 69 69 ASP C C 69 173.831 177.883 -4.052 1
1 842 . 4 1 1 A 69 69 ASP CA C 69 57.843 57.982 -0.139 1
1 843 . 4 1 1 A 69 69 ASP CB C 69 39.367 41.252 -1.885 1
1 844 . 4 1 1 A 69 69 ASP N N 69 122.205 121.537 0.668 1
1 845 . 4 1 1 A 70 70 GLU H H 70 8.454 8.272 0.182 1
1 846 . 4 1 1 A 70 70 GLU HA H 70 3.966 4.011 -0.045 1
1 851 . 4 1 1 A 70 70 GLU C C 70 177.979 178.861 -0.882 1
1 852 . 4 1 1 A 70 70 GLU CA C 70 59.987 59.586 0.401 1
1 853 . 4 1 1 A 70 70 GLU CB C 70 28.804 29.129 -0.325 1
1 855 . 4 1 1 A 70 70 GLU N N 70 118.426 118.960 -0.534 1
1 856 . 4 1 1 A 71 71 GLU H H 71 7.835 8.107 -0.272 1
1 857 . 4 1 1 A 71 71 GLU HA H 71 4.050 4.070 -0.020 1
1 862 . 4 1 1 A 71 71 GLU C C 71 178.486 179.228 -0.742 1
1 863 . 4 1 1 A 71 71 GLU CA C 71 58.998 59.200 -0.202 1
1 864 . 4 1 1 A 71 71 GLU CB C 71 29.068 29.723 -0.655 1
1 866 . 4 1 1 A 71 71 GLU N N 71 122.166 119.946 2.220 1
1 867 . 4 1 1 A 72 72 VAL H H 72 8.387 8.132 0.255 1
1 868 . 4 1 1 A 72 72 VAL HA H 72 3.295 3.475 -0.180 1
1 876 . 4 1 1 A 72 72 VAL C C 72 178.603 177.777 0.826 1
1 877 . 4 1 1 A 72 72 VAL CA C 72 66.989 67.166 -0.177 1
1 878 . 4 1 1 A 72 72 VAL CB C 72 31.242 31.588 -0.346 1
1 881 . 4 1 1 A 72 72 VAL N N 72 118.871 119.798 -0.927 1
1 882 . 4 1 1 A 73 73 LYS H H 73 8.619 7.791 0.828 1
1 883 . 4 1 1 A 73 73 LYS HA H 73 3.734 3.911 -0.177 1
1 892 . 4 1 1 A 73 73 LYS C C 73 177.118 179.114 -1.996 1
1 893 . 4 1 1 A 73 73 LYS CA C 73 60.695 60.349 0.346 1
1 894 . 4 1 1 A 73 73 LYS CB C 73 32.320 32.014 0.306 1
1 898 . 4 1 1 A 73 73 LYS N N 73 118.351 118.450 -0.099 1
1 899 . 4 1 1 A 74 74 LYS H H 74 7.886 8.215 -0.329 1
1 900 . 4 1 1 A 74 74 LYS HA H 74 4.133 3.995 0.138 1
1 909 . 4 1 1 A 74 74 LYS C C 74 178.306 179.133 -0.827 1
1 910 . 4 1 1 A 74 74 LYS CA C 74 58.954 59.715 -0.761 1
1 911 . 4 1 1 A 74 74 LYS CB C 74 31.974 32.415 -0.441 1
1 915 . 4 1 1 A 74 74 LYS N N 74 118.808 120.697 -1.889 1
1 916 . 4 1 1 A 75 75 LYS H H 75 8.118 7.884 0.234 1
1 917 . 4 1 1 A 75 75 LYS HA H 75 4.228 4.488 -0.260 1
1 926 . 4 1 1 A 75 75 LYS C C 75 178.795 179.385 -0.590 1
1 927 . 4 1 1 A 75 75 LYS CA C 75 57.158 58.775 -1.617 1
1 928 . 4 1 1 A 75 75 LYS CB C 75 31.382 31.820 -0.438 1
1 932 . 4 1 1 A 75 75 LYS N N 75 118.374 119.120 -0.746 1
1 933 . 4 1 1 A 76 76 LEU H H 76 8.778 8.293 0.485 1
1 934 . 4 1 1 A 76 76 LEU HA H 76 3.931 3.999 -0.068 1
1 944 . 4 1 1 A 76 76 LEU C C 76 180.241 179.293 0.948 1
1 945 . 4 1 1 A 76 76 LEU CA C 76 58.203 57.850 0.353 1
1 946 . 4 1 1 A 76 76 LEU CB C 76 42.015 40.906 1.109 1
1 950 . 4 1 1 A 76 76 LEU N N 76 121.253 120.126 1.127 1
1 951 . 4 1 1 A 77 77 GLU H H 77 7.951 8.122 -0.171 1
1 952 . 4 1 1 A 77 77 GLU HA H 77 4.227 3.972 0.255 1
1 957 . 4 1 1 A 77 77 GLU C C 77 178.403 178.983 -0.580 1
1 958 . 4 1 1 A 77 77 GLU CA C 77 58.892 59.869 -0.977 1
1 959 . 4 1 1 A 77 77 GLU CB C 77 28.925 28.947 -0.022 1
1 961 . 4 1 1 A 77 77 GLU N N 77 119.306 120.727 -1.421 1
1 962 . 4 1 1 A 78 78 GLU H H 78 8.595 8.010 0.585 1
1 963 . 4 1 1 A 78 78 GLU HA H 78 4.099 4.060 0.039 1
1 968 . 4 1 1 A 78 78 GLU C C 78 180.586 179.015 1.571 1
1 969 . 4 1 1 A 78 78 GLU CA C 78 58.850 59.202 -0.352 1
1 970 . 4 1 1 A 78 78 GLU CB C 78 29.878 29.553 0.325 1
1 972 . 4 1 1 A 78 78 GLU N N 78 120.814 120.007 0.807 1
1 973 . 4 1 1 A 79 79 SER H H 79 7.519 7.795 -0.276 1
1 974 . 4 1 1 A 79 79 SER HA H 79 4.592 4.475 0.117 1
1 977 . 4 1 1 A 79 79 SER C C 79 177.761 173.561 4.200 1
1 978 . 4 1 1 A 79 79 SER CA C 79 58.324 58.731 -0.407 1
1 979 . 4 1 1 A 79 79 SER CB C 79 63.796 63.495 0.301 1
1 980 . 4 1 1 A 79 79 SER N N 79 110.823 114.479 -3.656 1
1 981 . 4 1 1 A 80 80 ASN H H 80 8.126 7.716 0.410 1
1 982 . 4 1 1 A 80 80 ASN HA H 80 4.700 4.565 0.135 1
1 985 . 4 1 1 A 80 80 ASN C C 80 172.562 174.813 -2.251 1
1 986 . 4 1 1 A 80 80 ASN CA C 80 53.603 54.551 -0.948 1
1 987 . 4 1 1 A 80 80 ASN CB C 80 36.754 36.728 0.026 1
1 988 . 4 1 1 A 80 80 ASN N N 80 117.027 116.340 0.687 1
1 989 . 4 1 1 A 81 81 LEU H H 81 8.526 7.549 0.977 1
1 990 . 4 1 1 A 81 81 LEU HA H 81 4.767 4.397 0.370 1
1 1000 . 4 1 1 A 81 81 LEU C C 81 175.743 178.222 -2.479 1
1 1001 . 4 1 1 A 81 81 LEU CA C 81 54.008 55.803 -1.795 1
1 1002 . 4 1 1 A 81 81 LEU CB C 81 45.026 42.629 2.397 1
1 1006 . 4 1 1 A 81 81 LEU N N 81 114.910 119.299 -4.389 1
1 1007 . 4 1 1 A 82 82 THR H H 82 7.848 7.804 0.044 1
1 1008 . 4 1 1 A 82 82 THR HA H 82 4.117 3.943 0.174 1
1 1013 . 4 1 1 A 82 82 THR C C 82 176.676 176.133 0.543 1
1 1014 . 4 1 1 A 82 82 THR CA C 82 67.474 67.047 0.427 1
1 1015 . 4 1 1 A 82 82 THR CB C 82 68.235 68.445 -0.210 1
1 1017 . 4 1 1 A 82 82 THR N N 82 117.802 113.318 4.484 1
1 1018 . 4 1 1 A 83 83 GLU H H 83 8.335 8.131 0.204 1
1 1019 . 4 1 1 A 83 83 GLU HA H 83 3.915 3.997 -0.082 1
1 1024 . 4 1 1 A 83 83 GLU C C 83 175.177 178.951 -3.774 1
1 1025 . 4 1 1 A 83 83 GLU CA C 83 59.541 60.311 -0.770 1
1 1026 . 4 1 1 A 83 83 GLU CB C 83 27.819 29.320 -1.501 1
1 1028 . 4 1 1 A 83 83 GLU N N 83 118.314 120.111 -1.797 1
1 1029 . 4 1 1 A 84 84 TYR H H 84 8.043 8.346 -0.303 1
1 1030 . 4 1 1 A 84 84 TYR HA H 84 4.111 4.173 -0.062 1
1 1037 . 4 1 1 A 84 84 TYR C C 84 179.081 177.927 1.154 1
1 1038 . 4 1 1 A 84 84 TYR CA C 84 60.788 61.073 -0.285 1
1 1039 . 4 1 1 A 84 84 TYR CB C 84 37.753 38.468 -0.715 1
1 1040 . 4 1 1 A 84 84 TYR N N 84 121.386 121.619 -0.233 1
1 1041 . 4 1 1 A 85 85 MET H H 85 8.101 7.980 0.121 1
1 1042 . 4 1 1 A 85 85 MET HA H 85 4.259 4.267 -0.008 1
1 1047 . 4 1 1 A 85 85 MET C C 85 178.628 178.428 0.200 1
1 1048 . 4 1 1 A 85 85 MET CA C 85 55.244 57.980 -2.736 1
1 1049 . 4 1 1 A 85 85 MET CB C 85 29.597 32.133 -2.536 1
1 1051 . 4 1 1 A 85 85 MET N N 85 116.695 118.595 -1.900 1
1 1052 . 4 1 1 A 86 86 LYS H H 86 7.301 8.063 -0.762 1
1 1053 . 4 1 1 A 86 86 LYS HA H 86 3.937 3.982 -0.045 1
1 1062 . 4 1 1 A 86 86 LYS C C 86 175.934 177.711 -1.777 1
1 1063 . 4 1 1 A 86 86 LYS CA C 86 57.318 59.160 -1.842 1
1 1064 . 4 1 1 A 86 86 LYS CB C 86 32.956 31.844 1.112 1
1 1068 . 4 1 1 A 86 86 LYS N N 86 114.957 119.650 -4.693 1
1 1069 . 4 1 1 A 87 87 GLU H H 87 7.031 7.667 -0.636 1
1 1070 . 4 1 1 A 87 87 GLU HA H 87 4.185 4.291 -0.106 1
1 1075 . 4 1 1 A 87 87 GLU C C 87 176.247 176.104 0.143 1
1 1076 . 4 1 1 A 87 87 GLU CA C 87 55.780 55.355 0.425 1
1 1077 . 4 1 1 A 87 87 GLU CB C 87 29.358 31.486 -2.128 1
1 1079 . 4 1 1 A 87 87 GLU N N 87 119.315 118.766 0.549 1
1 1080 . 4 1 1 A 88 88 LYS H H 88 8.466 8.541 -0.075 1
1 1081 . 4 1 1 A 88 88 LYS HA H 88 4.568 4.217 0.351 1
1 1090 . 4 1 1 A 88 88 LYS C C 88 175.539 175.162 0.377 1
1 1091 . 4 1 1 A 88 88 LYS CA C 88 55.271 56.973 -1.702 1
1 1092 . 4 1 1 A 88 88 LYS CB C 88 33.457 32.578 0.879 1
1 1096 . 4 1 1 A 88 88 LYS N N 88 127.402 120.805 6.597 1
1 1097 . 4 1 1 A 89 89 ILE H H 89 8.752 8.451 0.301 1
1 1098 . 4 1 1 A 89 89 ILE HA H 89 4.249 4.216 0.033 1
1 1108 . 4 1 1 A 89 89 ILE C C 89 176.471 175.674 0.797 1
1 1109 . 4 1 1 A 89 89 ILE CA C 89 59.014 61.404 -2.390 1
1 1110 . 4 1 1 A 89 89 ILE CB C 89 38.437 37.993 0.444 1
1 1114 . 4 1 1 A 89 89 ILE N N 89 122.906 122.599 0.307 1
1 1115 . 4 1 1 A 90 90 LYS H H 90 8.394 8.874 -0.480 1
1 1116 . 4 1 1 A 90 90 LYS HA H 90 4.284 5.011 -0.727 1
1 1125 . 4 1 1 A 90 90 LYS C C 90 175.276 174.284 0.992 1
1 1126 . 4 1 1 A 90 90 LYS CA C 90 55.821 54.847 0.974 1
1 1127 . 4 1 1 A 90 90 LYS CB C 90 31.860 36.086 -4.226 1
1 1131 . 4 1 1 A 90 90 LYS N N 90 125.894 122.763 3.131 1
1 1132 . 4 1 1 A 91 91 ILE H H 91 8.141 8.600 -0.459 1
1 1133 . 4 1 1 A 91 91 ILE HA H 91 4.165 4.384 -0.219 1
1 1143 . 4 1 1 A 91 91 ILE C C 91 175.506 176.498 -0.992 1
1 1144 . 4 1 1 A 91 91 ILE CA C 91 59.516 60.299 -0.783 1
1 1145 . 4 1 1 A 91 91 ILE CB C 91 37.991 37.405 0.586 1
1 1149 . 4 1 1 A 91 91 ILE N N 91 124.934 124.868 0.066 1
1 1150 . 4 1 1 A 92 92 ARG H H 92 8.488 8.800 -0.312 1
1 1151 . 4 1 1 A 92 92 ARG HA H 92 4.318 3.965 0.353 1
1 1158 . 4 1 1 A 92 92 ARG C C 92 175.508 175.304 0.204 1
1 1159 . 4 1 1 A 92 92 ARG CA C 92 55.708 56.843 -1.135 1
1 1160 . 4 1 1 A 92 92 ARG CB C 92 30.394 28.846 1.548 1
1 1163 . 4 1 1 A 92 92 ARG N N 92 126.033 125.443 0.590 1
1 1164 . 4 1 1 A 93 93 MET H H 93 8.362 7.938 0.424 1
1 1165 . 4 1 1 A 93 93 MET C C 93 175.367 176.428 -1.061 1
1 1166 . 4 1 1 A 93 93 MET CA C 93 52.994 53.993 -0.999 1
1 1167 . 4 1 1 A 93 93 MET CB C 93 32.271 33.348 -1.077 1
1 1168 . 4 1 1 A 93 93 MET N N 93 123.282 120.214 3.068 1
1 1169 . 4 1 1 A 94 94 PRO HA H 94 4.505 4.615 -0.110 1
1 1176 . 4 1 1 A 94 94 PRO CA C 94 62.884 63.939 -1.055 1
1 1177 . 4 1 1 A 94 94 PRO CB C 94 31.885 31.557 0.328 1
1 1180 . 4 1 1 A 95 95 THR H H 95 8.180 7.702 0.478 1
1 1181 . 4 1 1 A 95 95 THR HA H 95 4.320 4.429 -0.109 1
1 1186 . 4 1 1 A 95 95 THR C C 95 176.463 173.122 3.341 1
1 1187 . 4 1 1 A 95 95 THR CA C 95 61.391 61.458 -0.067 1
1 1188 . 4 1 1 A 95 95 THR CB C 95 69.583 68.063 1.520 1
1 1190 . 4 1 1 A 95 95 THR N N 95 114.511 113.615 0.896 1
1 1 . 5 1 1 A 2 2 PRO HA H 2 4.279 4.450 -0.171 1
1 8 . 5 1 1 A 2 2 PRO CA C 2 61.757 62.804 -1.047 1
1 9 . 5 1 1 A 2 2 PRO CB C 2 32.181 31.730 0.451 1
1 12 . 5 1 1 A 3 3 ALA H H 3 8.418 8.455 -0.037 1
1 13 . 5 1 1 A 3 3 ALA HA H 3 4.242 4.691 -0.449 1
1 17 . 5 1 1 A 3 3 ALA C C 3 171.733 175.897 -4.164 1
1 18 . 5 1 1 A 3 3 ALA CA C 3 53.120 51.119 2.001 1
1 19 . 5 1 1 A 3 3 ALA CB C 3 19.076 20.264 -1.188 1
1 20 . 5 1 1 A 3 3 ALA N N 3 122.573 125.998 -3.425 1
1 21 . 5 1 1 A 4 4 ILE H H 4 8.389 8.816 -0.427 1
1 22 . 5 1 1 A 4 4 ILE HA H 4 3.730 4.543 -0.813 1
1 32 . 5 1 1 A 4 4 ILE C C 4 177.391 174.528 2.863 1
1 33 . 5 1 1 A 4 4 ILE CA C 4 60.039 60.935 -0.896 1
1 34 . 5 1 1 A 4 4 ILE CB C 4 34.720 36.946 -2.226 1
1 38 . 5 1 1 A 4 4 ILE N N 4 119.283 124.535 -5.252 1
1 39 . 5 1 1 A 5 5 GLU H H 5 6.799 8.692 -1.893 1
1 40 . 5 1 1 A 5 5 GLU HA H 5 4.630 4.789 -0.159 1
1 45 . 5 1 1 A 5 5 GLU C C 5 173.009 175.113 -2.104 1
1 46 . 5 1 1 A 5 5 GLU CA C 5 53.474 55.163 -1.689 1
1 47 . 5 1 1 A 5 5 GLU CB C 5 32.091 30.892 1.199 1
1 49 . 5 1 1 A 5 5 GLU N N 5 122.616 124.629 -2.013 1
1 50 . 5 1 1 A 6 6 VAL H H 6 8.899 8.500 0.399 1
1 51 . 5 1 1 A 6 6 VAL HA H 6 3.318 4.081 -0.763 1
1 59 . 5 1 1 A 6 6 VAL C C 6 174.172 176.372 -2.200 1
1 60 . 5 1 1 A 6 6 VAL CA C 6 65.581 63.255 2.326 1
1 61 . 5 1 1 A 6 6 VAL CB C 6 30.939 31.558 -0.619 1
1 64 . 5 1 1 A 6 6 VAL N N 6 122.205 118.057 4.148 1
1 65 . 5 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 5 1 1 A 7 7 GLY HA2 H 7 5.016 3.957 1.059 1
1 67 . 5 1 1 A 7 7 GLY HA3 H 7 3.187 3.960 -0.773 1
1 68 . 5 1 1 A 7 7 GLY C C 7 176.688 174.179 2.509 1
1 69 . 5 1 1 A 7 7 GLY CA C 7 44.580 45.413 -0.833 1
1 70 . 5 1 1 A 7 7 GLY N N 7 115.742 114.530 1.212 1
1 71 . 5 1 1 A 8 8 ARG H H 8 8.128 7.514 0.614 1
1 72 . 5 1 1 A 8 8 ARG HA H 8 4.226 4.364 -0.138 1
1 79 . 5 1 1 A 8 8 ARG C C 8 173.667 175.709 -2.042 1
1 80 . 5 1 1 A 8 8 ARG CA C 8 54.906 55.929 -1.023 1
1 81 . 5 1 1 A 8 8 ARG CB C 8 29.331 30.585 -1.254 1
1 84 . 5 1 1 A 8 8 ARG N N 8 120.180 121.996 -1.816 1
1 85 . 5 1 1 A 9 9 ILE H H 9 8.571 8.527 0.044 1
1 86 . 5 1 1 A 9 9 ILE HA H 9 4.965 4.422 0.543 1
1 96 . 5 1 1 A 9 9 ILE C C 9 175.361 175.388 -0.027 1
1 97 . 5 1 1 A 9 9 ILE CA C 9 61.241 60.971 0.270 1
1 98 . 5 1 1 A 9 9 ILE CB C 9 36.712 37.088 -0.376 1
1 102 . 5 1 1 A 9 9 ILE N N 9 129.626 128.211 1.415 1
1 103 . 5 1 1 A 10 10 CYS H H 10 9.614 9.051 0.563 1
1 104 . 5 1 1 A 10 10 CYS HA H 10 5.471 5.418 0.053 1
1 107 . 5 1 1 A 10 10 CYS C C 10 177.158 172.522 4.636 1
1 108 . 5 1 1 A 10 10 CYS CA C 10 57.088 56.593 0.495 1
1 109 . 5 1 1 A 10 10 CYS CB C 10 32.935 31.535 1.400 1
1 110 . 5 1 1 A 10 10 CYS N N 10 126.595 124.576 2.019 1
1 111 . 5 1 1 A 11 11 VAL H H 11 8.926 9.214 -0.288 1
1 112 . 5 1 1 A 11 11 VAL HA H 11 4.351 5.192 -0.841 1
1 120 . 5 1 1 A 11 11 VAL C C 11 172.010 173.681 -1.671 1
1 121 . 5 1 1 A 11 11 VAL CA C 11 60.857 59.229 1.628 1
1 122 . 5 1 1 A 11 11 VAL CB C 11 33.989 34.906 -0.917 1
1 125 . 5 1 1 A 11 11 VAL N N 11 119.765 121.376 -1.611 1
1 126 . 5 1 1 A 12 12 LYS H H 12 8.961 8.792 0.169 1
1 127 . 5 1 1 A 12 12 LYS HA H 12 4.510 4.460 0.050 1
1 136 . 5 1 1 A 12 12 LYS C C 12 175.625 175.428 0.197 1
1 137 . 5 1 1 A 12 12 LYS CA C 12 56.422 56.760 -0.338 1
1 138 . 5 1 1 A 12 12 LYS CB C 12 32.726 32.621 0.105 1
1 142 . 5 1 1 A 12 12 LYS N N 12 127.967 127.643 0.324 1
1 143 . 5 1 1 A 13 13 VAL H H 13 8.522 8.481 0.041 1
1 144 . 5 1 1 A 13 13 VAL HA H 13 4.518 4.452 0.066 1
1 152 . 5 1 1 A 13 13 VAL C C 13 176.284 176.363 -0.079 1
1 153 . 5 1 1 A 13 13 VAL CA C 13 61.492 60.824 0.668 1
1 154 . 5 1 1 A 13 13 VAL CB C 13 32.089 31.610 0.479 1
1 157 . 5 1 1 A 13 13 VAL N N 13 118.593 127.905 -9.312 1
1 158 . 5 1 1 A 14 14 LYS H H 14 7.310 8.164 -0.854 1
1 159 . 5 1 1 A 14 14 LYS HA H 14 4.580 4.333 0.247 1
1 168 . 5 1 1 A 14 14 LYS C C 14 174.043 175.939 -1.896 1
1 169 . 5 1 1 A 14 14 LYS CA C 14 54.090 55.553 -1.463 1
1 170 . 5 1 1 A 14 14 LYS CB C 14 36.489 31.828 4.661 1
1 174 . 5 1 1 A 14 14 LYS N N 14 117.809 124.912 -7.103 1
1 175 . 5 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 5 1 1 A 15 15 GLY HA2 H 15 4.264 4.156 0.108 1
1 177 . 5 1 1 A 15 15 GLY HA3 H 15 3.845 4.161 -0.316 1
1 178 . 5 1 1 A 15 15 GLY C C 15 175.166 174.557 0.609 1
1 179 . 5 1 1 A 15 15 GLY CA C 15 43.993 44.990 -0.997 1
1 180 . 5 1 1 A 15 15 GLY N N 15 108.732 108.487 0.245 1
1 181 . 5 1 1 A 16 16 ARG H H 16 8.618 8.576 0.042 1
1 182 . 5 1 1 A 16 16 ARG HA H 16 4.082 4.366 -0.284 1
1 189 . 5 1 1 A 16 16 ARG C C 16 174.254 176.204 -1.950 1
1 190 . 5 1 1 A 16 16 ARG CA C 16 57.950 56.424 1.526 1
1 191 . 5 1 1 A 16 16 ARG CB C 16 29.776 30.393 -0.617 1
1 194 . 5 1 1 A 16 16 ARG N N 16 120.561 124.415 -3.854 1
1 195 . 5 1 1 A 17 17 GLU H H 17 8.935 7.682 1.253 1
1 196 . 5 1 1 A 17 17 GLU HA H 17 4.190 4.518 -0.328 1
1 201 . 5 1 1 A 17 17 GLU C C 17 177.426 175.379 2.047 1
1 202 . 5 1 1 A 17 17 GLU CA C 17 55.386 55.650 -0.264 1
1 203 . 5 1 1 A 17 17 GLU CB C 17 27.412 30.449 -3.037 1
1 205 . 5 1 1 A 17 17 GLU N N 17 115.930 121.078 -5.148 1
1 206 . 5 1 1 A 18 18 ALA H H 18 7.267 8.605 -1.338 1
1 207 . 5 1 1 A 18 18 ALA HA H 18 3.737 4.795 -1.058 1
1 211 . 5 1 1 A 18 18 ALA C C 18 174.969 177.447 -2.478 1
1 212 . 5 1 1 A 18 18 ALA CA C 18 53.272 50.833 2.439 1
1 213 . 5 1 1 A 18 18 ALA CB C 18 17.382 20.064 -2.682 1
1 214 . 5 1 1 A 18 18 ALA N N 18 120.485 129.039 -8.554 1
1 215 . 5 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 5 1 1 A 19 19 GLY HA2 H 19 4.680 4.018 0.662 1
1 217 . 5 1 1 A 19 19 GLY HA3 H 19 3.451 4.028 -0.577 1
1 218 . 5 1 1 A 19 19 GLY C C 19 178.386 174.053 4.333 1
1 219 . 5 1 1 A 19 19 GLY CA C 19 44.905 45.394 -0.489 1
1 220 . 5 1 1 A 19 19 GLY N N 19 112.194 112.429 -0.235 1
1 221 . 5 1 1 A 20 20 SER H H 20 8.162 7.837 0.325 1
1 222 . 5 1 1 A 20 20 SER HA H 20 4.861 4.293 0.568 1
1 225 . 5 1 1 A 20 20 SER C C 20 173.441 173.832 -0.391 1
1 226 . 5 1 1 A 20 20 SER CA C 20 58.253 59.581 -1.328 1
1 227 . 5 1 1 A 20 20 SER CB C 20 64.447 63.223 1.224 1
1 228 . 5 1 1 A 20 20 SER N N 20 115.207 116.550 -1.343 1
1 229 . 5 1 1 A 21 21 LYS H H 21 8.836 8.872 -0.036 1
1 230 . 5 1 1 A 21 21 LYS HA H 21 5.369 5.108 0.261 1
1 239 . 5 1 1 A 21 21 LYS C C 21 172.859 175.713 -2.854 1
1 240 . 5 1 1 A 21 21 LYS CA C 21 55.508 55.270 0.238 1
1 241 . 5 1 1 A 21 21 LYS CB C 21 34.795 34.431 0.364 1
1 245 . 5 1 1 A 21 21 LYS N N 21 121.269 126.238 -4.969 1
1 246 . 5 1 1 A 22 22 CYS H H 22 8.905 9.086 -0.181 1
1 247 . 5 1 1 A 22 22 CYS HA H 22 5.527 5.236 0.291 1
1 250 . 5 1 1 A 22 22 CYS C C 22 174.204 173.159 1.045 1
1 251 . 5 1 1 A 22 22 CYS CA C 22 55.584 57.728 -2.144 1
1 252 . 5 1 1 A 22 22 CYS CB C 22 30.941 32.253 -1.312 1
1 253 . 5 1 1 A 22 22 CYS N N 22 110.073 122.320 -12.247 1
1 254 . 5 1 1 A 23 23 VAL H H 23 9.325 8.792 0.533 1
1 255 . 5 1 1 A 23 23 VAL HA H 23 4.761 5.005 -0.244 1
1 263 . 5 1 1 A 23 23 VAL C C 23 171.121 175.606 -4.485 1
1 264 . 5 1 1 A 23 23 VAL CA C 23 60.552 60.735 -0.183 1
1 265 . 5 1 1 A 23 23 VAL CB C 23 35.141 35.073 0.068 1
1 268 . 5 1 1 A 23 23 VAL N N 23 119.042 122.645 -3.603 1
1 269 . 5 1 1 A 24 24 ILE H H 24 8.239 8.805 -0.566 1
1 270 . 5 1 1 A 24 24 ILE HA H 24 4.239 4.075 0.164 1
1 280 . 5 1 1 A 24 24 ILE C C 24 175.805 175.817 -0.012 1
1 281 . 5 1 1 A 24 24 ILE CA C 24 62.552 62.111 0.441 1
1 282 . 5 1 1 A 24 24 ILE CB C 24 36.819 36.970 -0.151 1
1 286 . 5 1 1 A 24 24 ILE N N 24 124.259 126.704 -2.445 1
1 287 . 5 1 1 A 25 25 VAL H H 25 9.205 8.691 0.514 1
1 288 . 5 1 1 A 25 25 VAL HA H 25 4.689 4.198 0.491 1
1 296 . 5 1 1 A 25 25 VAL C C 25 175.650 175.671 -0.021 1
1 297 . 5 1 1 A 25 25 VAL CA C 25 60.947 63.481 -2.534 1
1 298 . 5 1 1 A 25 25 VAL CB C 25 32.986 33.290 -0.304 1
1 301 . 5 1 1 A 25 25 VAL N N 25 121.805 128.522 -6.717 1
1 302 . 5 1 1 A 26 26 ASP H H 26 8.103 7.958 0.145 1
1 303 . 5 1 1 A 26 26 ASP HA H 26 4.771 5.173 -0.402 1
1 306 . 5 1 1 A 26 26 ASP C C 26 174.343 173.596 0.747 1
1 307 . 5 1 1 A 26 26 ASP CA C 26 53.671 53.166 0.505 1
1 308 . 5 1 1 A 26 26 ASP CB C 26 43.563 44.715 -1.152 1
1 309 . 5 1 1 A 26 26 ASP N N 26 118.459 119.476 -1.017 1
1 310 . 5 1 1 A 27 27 ILE H H 27 9.092 9.122 -0.030 1
1 311 . 5 1 1 A 27 27 ILE HA H 27 4.273 4.578 -0.305 1
1 321 . 5 1 1 A 27 27 ILE C C 27 173.976 175.364 -1.388 1
1 322 . 5 1 1 A 27 27 ILE CA C 27 60.306 60.436 -0.130 1
1 323 . 5 1 1 A 27 27 ILE CB C 27 38.339 39.151 -0.812 1
1 327 . 5 1 1 A 27 27 ILE N N 27 124.375 125.221 -0.846 1
1 328 . 5 1 1 A 28 28 ILE H H 28 8.055 8.872 -0.817 1
1 329 . 5 1 1 A 28 28 ILE HA H 28 3.986 4.100 -0.114 1
1 339 . 5 1 1 A 28 28 ILE C C 28 174.733 175.615 -0.882 1
1 340 . 5 1 1 A 28 28 ILE CA C 28 62.414 63.264 -0.850 1
1 341 . 5 1 1 A 28 28 ILE CB C 28 37.450 38.011 -0.561 1
1 345 . 5 1 1 A 28 28 ILE N N 28 127.525 128.928 -1.403 1
1 346 . 5 1 1 A 29 29 ASP H H 29 8.438 8.337 0.101 1
1 347 . 5 1 1 A 29 29 ASP HA H 29 4.522 4.982 -0.460 1
1 350 . 5 1 1 A 29 29 ASP C C 29 175.289 175.675 -0.386 1
1 351 . 5 1 1 A 29 29 ASP CA C 29 53.316 51.951 1.365 1
1 352 . 5 1 1 A 29 29 ASP CB C 29 39.450 43.281 -3.831 1
1 353 . 5 1 1 A 29 29 ASP N N 29 118.886 119.606 -0.720 1
1 354 . 5 1 1 A 30 30 ASP H H 30 8.140 8.817 -0.677 1
1 355 . 5 1 1 A 30 30 ASP HA H 30 4.375 4.293 0.082 1
1 358 . 5 1 1 A 30 30 ASP C C 30 174.332 177.983 -3.651 1
1 359 . 5 1 1 A 30 30 ASP CA C 30 56.171 57.071 -0.900 1
1 360 . 5 1 1 A 30 30 ASP CB C 30 40.302 41.330 -1.028 1
1 361 . 5 1 1 A 30 30 ASP N N 30 112.219 124.008 -11.789 1
1 362 . 5 1 1 A 31 31 ASN H H 31 8.866 7.663 1.203 1
1 363 . 5 1 1 A 31 31 ASN HA H 31 4.805 4.525 0.280 1
1 366 . 5 1 1 A 31 31 ASN C C 31 175.926 175.402 0.524 1
1 367 . 5 1 1 A 31 31 ASN CA C 31 54.015 55.195 -1.180 1
1 368 . 5 1 1 A 31 31 ASN CB C 31 42.366 38.752 3.614 1
1 369 . 5 1 1 A 31 31 ASN N N 31 114.650 116.456 -1.806 1
1 370 . 5 1 1 A 32 32 PHE H H 32 8.481 7.665 0.816 1
1 371 . 5 1 1 A 32 32 PHE HA H 32 5.279 4.730 0.549 1
1 376 . 5 1 1 A 32 32 PHE C C 32 173.451 175.301 -1.850 1
1 377 . 5 1 1 A 32 32 PHE CA C 32 57.629 57.556 0.073 1
1 378 . 5 1 1 A 32 32 PHE CB C 32 42.418 38.752 3.666 1
1 379 . 5 1 1 A 32 32 PHE N N 32 117.648 116.992 0.656 1
1 380 . 5 1 1 A 33 33 VAL H H 33 8.680 8.945 -0.265 1
1 381 . 5 1 1 A 33 33 VAL HA H 33 4.720 5.045 -0.325 1
1 389 . 5 1 1 A 33 33 VAL C C 33 174.458 173.785 0.673 1
1 390 . 5 1 1 A 33 33 VAL CA C 33 58.331 59.102 -0.771 1
1 391 . 5 1 1 A 33 33 VAL CB C 33 34.410 35.453 -1.043 1
1 394 . 5 1 1 A 33 33 VAL N N 33 110.814 117.875 -7.061 1
1 395 . 5 1 1 A 34 34 LEU H H 34 8.696 9.066 -0.370 1
1 396 . 5 1 1 A 34 34 LEU HA H 34 4.871 5.006 -0.135 1
1 406 . 5 1 1 A 34 34 LEU C C 34 172.716 175.837 -3.121 1
1 407 . 5 1 1 A 34 34 LEU CA C 34 53.776 53.630 0.146 1
1 408 . 5 1 1 A 34 34 LEU CB C 34 44.582 43.815 0.767 1
1 412 . 5 1 1 A 34 34 LEU N N 34 123.160 124.770 -1.610 1
1 413 . 5 1 1 A 35 35 VAL H H 35 8.460 9.079 -0.619 1
1 414 . 5 1 1 A 35 35 VAL HA H 35 5.674 5.266 0.408 1
1 422 . 5 1 1 A 35 35 VAL C C 35 176.009 174.424 1.585 1
1 423 . 5 1 1 A 35 35 VAL CA C 35 57.423 59.874 -2.451 1
1 424 . 5 1 1 A 35 35 VAL CB C 35 35.541 34.144 1.397 1
1 427 . 5 1 1 A 35 35 VAL N N 35 119.184 122.193 -3.009 1
1 428 . 5 1 1 A 36 36 THR H H 36 8.362 8.228 0.134 1
1 429 . 5 1 1 A 36 36 THR HA H 36 4.535 5.337 -0.802 1
1 434 . 5 1 1 A 36 36 THR C C 36 173.498 172.619 0.879 1
1 435 . 5 1 1 A 36 36 THR CA C 36 59.643 59.973 -0.330 1
1 436 . 5 1 1 A 36 36 THR CB C 36 70.439 71.910 -1.471 1
1 438 . 5 1 1 A 36 36 THR N N 36 109.151 117.280 -8.129 1
1 439 . 5 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 5 1 1 A 37 37 GLY C C 37 172.460 172.900 -0.440 1
1 441 . 5 1 1 A 37 37 GLY CA C 37 51.421 43.758 7.663 1
1 442 . 5 1 1 A 37 37 GLY N N 37 115.474 113.821 1.653 1
1 443 . 5 1 1 A 38 38 PRO HA H 38 5.235 4.700 0.535 1
1 450 . 5 1 1 A 38 38 PRO CA C 38 60.459 63.403 -2.944 1
1 451 . 5 1 1 A 38 38 PRO CB C 38 35.517 32.135 3.382 1
1 454 . 5 1 1 A 39 39 LYS H H 39 9.463 8.641 0.822 1
1 455 . 5 1 1 A 39 39 LYS HA H 39 3.545 4.012 -0.467 1
1 464 . 5 1 1 A 39 39 LYS C C 39 179.019 178.520 0.499 1
1 465 . 5 1 1 A 39 39 LYS CA C 39 60.344 58.441 1.903 1
1 466 . 5 1 1 A 39 39 LYS CB C 39 31.826 31.758 0.068 1
1 470 . 5 1 1 A 39 39 LYS N N 39 127.869 122.771 5.098 1
1 471 . 5 1 1 A 40 40 ASP H H 40 9.035 7.642 1.393 1
1 472 . 5 1 1 A 40 40 ASP HA H 40 4.375 4.483 -0.108 1
1 475 . 5 1 1 A 40 40 ASP C C 40 177.615 175.798 1.817 1
1 476 . 5 1 1 A 40 40 ASP CA C 40 55.080 56.062 -0.982 1
1 477 . 5 1 1 A 40 40 ASP CB C 40 39.209 41.931 -2.722 1
1 478 . 5 1 1 A 40 40 ASP N N 40 115.744 119.797 -4.053 1
1 479 . 5 1 1 A 41 41 ILE H H 41 7.739 7.665 0.074 1
1 480 . 5 1 1 A 41 41 ILE HA H 41 4.218 4.456 -0.238 1
1 490 . 5 1 1 A 41 41 ILE C C 41 174.826 175.771 -0.945 1
1 491 . 5 1 1 A 41 41 ILE CA C 41 61.664 60.366 1.298 1
1 492 . 5 1 1 A 41 41 ILE CB C 41 37.453 39.996 -2.543 1
1 496 . 5 1 1 A 41 41 ILE N N 41 116.447 117.021 -0.574 1
1 497 . 5 1 1 A 42 42 THR H H 42 7.766 8.347 -0.581 1
1 498 . 5 1 1 A 42 42 THR HA H 42 4.734 3.948 0.786 1
1 503 . 5 1 1 A 42 42 THR C C 42 175.827 174.116 1.711 1
1 504 . 5 1 1 A 42 42 THR CA C 42 60.110 62.236 -2.126 1
1 505 . 5 1 1 A 42 42 THR CB C 42 71.791 67.237 4.554 1
1 507 . 5 1 1 A 42 42 THR N N 42 104.054 120.303 -16.249 1
1 508 . 5 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 5 1 1 A 43 43 GLY HA2 H 43 4.461 3.973 0.488 1
1 510 . 5 1 1 A 43 43 GLY HA3 H 43 3.836 3.974 -0.138 1
1 511 . 5 1 1 A 43 43 GLY C C 43 175.208 175.114 0.094 1
1 512 . 5 1 1 A 43 43 GLY CA C 43 44.826 47.115 -2.289 1
1 513 . 5 1 1 A 43 43 GLY N N 43 109.006 111.763 -2.757 1
1 514 . 5 1 1 A 44 44 VAL H H 44 7.289 8.823 -1.534 1
1 515 . 5 1 1 A 44 44 VAL HA H 44 3.945 4.035 -0.090 1
1 523 . 5 1 1 A 44 44 VAL C C 44 173.149 176.408 -3.259 1
1 524 . 5 1 1 A 44 44 VAL CA C 44 62.902 65.080 -2.178 1
1 525 . 5 1 1 A 44 44 VAL CB C 44 31.715 32.041 -0.326 1
1 528 . 5 1 1 A 44 44 VAL N N 44 120.903 123.818 -2.915 1
1 529 . 5 1 1 A 45 45 LYS H H 45 8.308 8.050 0.258 1
1 530 . 5 1 1 A 45 45 LYS HA H 45 4.190 4.258 -0.068 1
1 539 . 5 1 1 A 45 45 LYS C C 45 175.177 175.615 -0.438 1
1 540 . 5 1 1 A 45 45 LYS CA C 45 56.355 58.268 -1.913 1
1 541 . 5 1 1 A 45 45 LYS CB C 45 33.385 31.055 2.330 1
1 545 . 5 1 1 A 45 45 LYS N N 45 128.406 120.625 7.781 1
1 546 . 5 1 1 A 46 46 ARG H H 46 8.080 8.250 -0.170 1
1 547 . 5 1 1 A 46 46 ARG HA H 46 5.720 5.332 0.388 1
1 554 . 5 1 1 A 46 46 ARG C C 46 173.780 175.047 -1.267 1
1 555 . 5 1 1 A 46 46 ARG CA C 46 54.888 54.536 0.352 1
1 556 . 5 1 1 A 46 46 ARG CB C 46 29.630 33.462 -3.832 1
1 559 . 5 1 1 A 46 46 ARG N N 46 120.129 117.870 2.259 1
1 560 . 5 1 1 A 47 47 ARG H H 47 8.452 8.626 -0.174 1
1 561 . 5 1 1 A 47 47 ARG HA H 47 4.732 4.712 0.020 1
1 568 . 5 1 1 A 47 47 ARG C C 47 176.138 174.110 2.028 1
1 569 . 5 1 1 A 47 47 ARG CA C 47 54.319 55.320 -1.001 1
1 570 . 5 1 1 A 47 47 ARG CB C 47 33.746 34.547 -0.801 1
1 573 . 5 1 1 A 47 47 ARG N N 47 126.780 120.905 5.875 1
1 574 . 5 1 1 A 48 48 ARG H H 48 8.546 8.443 0.103 1
1 575 . 5 1 1 A 48 48 ARG HA H 48 5.111 5.298 -0.187 1
1 582 . 5 1 1 A 48 48 ARG C C 48 174.339 177.034 -2.695 1
1 583 . 5 1 1 A 48 48 ARG CA C 48 55.524 55.753 -0.229 1
1 584 . 5 1 1 A 48 48 ARG CB C 48 31.132 31.447 -0.315 1
1 587 . 5 1 1 A 48 48 ARG N N 48 121.931 123.573 -1.642 1
1 588 . 5 1 1 A 49 49 VAL H H 49 9.485 8.798 0.687 1
1 589 . 5 1 1 A 49 49 VAL HA H 49 4.651 4.479 0.172 1
1 597 . 5 1 1 A 49 49 VAL C C 49 176.112 175.589 0.523 1
1 598 . 5 1 1 A 49 49 VAL CA C 49 60.040 60.854 -0.814 1
1 599 . 5 1 1 A 49 49 VAL CB C 49 36.427 31.673 4.754 1
1 602 . 5 1 1 A 49 49 VAL N N 49 122.891 116.716 6.175 1
1 603 . 5 1 1 A 50 50 ASN H H 50 8.569 8.329 0.240 1
1 604 . 5 1 1 A 50 50 ASN HA H 50 4.213 5.134 -0.921 1
1 607 . 5 1 1 A 50 50 ASN C C 50 173.258 174.918 -1.660 1
1 608 . 5 1 1 A 50 50 ASN CA C 50 52.732 53.356 -0.624 1
1 609 . 5 1 1 A 50 50 ASN CB C 50 38.173 38.212 -0.039 1
1 610 . 5 1 1 A 50 50 ASN N N 50 125.736 120.466 5.270 1
1 611 . 5 1 1 A 51 51 ILE H H 51 8.601 8.560 0.041 1
1 612 . 5 1 1 A 51 51 ILE HA H 51 3.632 4.520 -0.888 1
1 622 . 5 1 1 A 51 51 ILE C C 51 176.785 177.741 -0.956 1
1 623 . 5 1 1 A 51 51 ILE CA C 51 65.046 61.117 3.929 1
1 624 . 5 1 1 A 51 51 ILE CB C 51 38.532 38.921 -0.389 1
1 628 . 5 1 1 A 51 51 ILE N N 51 126.454 116.889 9.565 1
1 629 . 5 1 1 A 52 52 LEU H H 52 8.448 7.621 0.827 1
1 630 . 5 1 1 A 52 52 LEU HA H 52 4.290 3.967 0.323 1
1 640 . 5 1 1 A 52 52 LEU C C 52 176.765 177.870 -1.105 1
1 641 . 5 1 1 A 52 52 LEU CA C 52 55.880 58.066 -2.186 1
1 642 . 5 1 1 A 52 52 LEU CB C 52 40.983 41.667 -0.684 1
1 646 . 5 1 1 A 52 52 LEU N N 52 118.365 123.661 -5.296 1
1 647 . 5 1 1 A 53 53 HIS H H 53 8.358 7.876 0.482 1
1 648 . 5 1 1 A 53 53 HIS HA H 53 4.621 4.764 -0.143 1
1 651 . 5 1 1 A 53 53 HIS C C 53 178.018 173.475 4.543 1
1 652 . 5 1 1 A 53 53 HIS CA C 53 53.996 55.289 -1.293 1
1 653 . 5 1 1 A 53 53 HIS CB C 53 30.306 29.070 1.236 1
1 654 . 5 1 1 A 53 53 HIS N N 53 116.672 114.818 1.854 1
1 655 . 5 1 1 A 54 54 LEU H H 54 7.693 7.205 0.488 1
1 656 . 5 1 1 A 54 54 LEU HA H 54 5.222 4.859 0.363 1
1 666 . 5 1 1 A 54 54 LEU C C 54 173.609 175.267 -1.658 1
1 667 . 5 1 1 A 54 54 LEU CA C 54 52.932 53.454 -0.522 1
1 668 . 5 1 1 A 54 54 LEU CB C 54 45.943 45.000 0.943 1
1 672 . 5 1 1 A 54 54 LEU N N 54 119.311 120.114 -0.803 1
1 673 . 5 1 1 A 55 55 GLU H H 55 9.073 9.052 0.021 1
1 674 . 5 1 1 A 55 55 GLU C C 55 175.102 174.334 0.768 1
1 675 . 5 1 1 A 55 55 GLU CA C 55 52.073 52.420 -0.347 1
1 676 . 5 1 1 A 55 55 GLU CB C 55 31.958 31.258 0.700 1
1 677 . 5 1 1 A 55 55 GLU N N 55 120.139 122.879 -2.740 1
1 678 . 5 1 1 A 56 56 PRO HA H 56 4.903 5.100 -0.197 1
1 685 . 5 1 1 A 56 56 PRO CA C 56 63.121 62.486 0.635 1
1 686 . 5 1 1 A 56 56 PRO CB C 56 32.274 32.419 -0.145 1
1 689 . 5 1 1 A 57 57 THR H H 57 8.502 8.477 0.025 1
1 690 . 5 1 1 A 57 57 THR HA H 57 4.932 4.558 0.374 1
1 695 . 5 1 1 A 57 57 THR C C 57 175.894 174.671 1.223 1
1 696 . 5 1 1 A 57 57 THR CA C 57 60.602 60.388 0.214 1
1 697 . 5 1 1 A 57 57 THR CB C 57 71.821 71.695 0.126 1
1 699 . 5 1 1 A 57 57 THR N N 57 113.388 112.544 0.844 1
1 700 . 5 1 1 A 58 58 ASP H H 58 8.605 8.508 0.097 1
1 701 . 5 1 1 A 58 58 ASP HA H 58 4.445 4.547 -0.102 1
1 704 . 5 1 1 A 58 58 ASP C C 58 173.673 175.797 -2.124 1
1 705 . 5 1 1 A 58 58 ASP CA C 58 53.743 55.160 -1.417 1
1 706 . 5 1 1 A 58 58 ASP CB C 58 39.622 41.194 -1.572 1
1 707 . 5 1 1 A 58 58 ASP N N 58 115.340 118.402 -3.062 1
1 708 . 5 1 1 A 59 59 LYS H H 59 8.544 7.781 0.763 1
1 709 . 5 1 1 A 59 59 LYS HA H 59 4.646 4.822 -0.176 1
1 718 . 5 1 1 A 59 59 LYS C C 59 174.972 175.475 -0.503 1
1 719 . 5 1 1 A 59 59 LYS CA C 59 54.336 54.766 -0.430 1
1 720 . 5 1 1 A 59 59 LYS CB C 59 34.626 35.063 -0.437 1
1 724 . 5 1 1 A 59 59 LYS N N 59 119.488 118.483 1.005 1
1 725 . 5 1 1 A 60 60 LYS H H 60 8.227 8.709 -0.482 1
1 726 . 5 1 1 A 60 60 LYS HA H 60 4.999 5.033 -0.034 1
1 735 . 5 1 1 A 60 60 LYS C C 60 174.256 175.016 -0.760 1
1 736 . 5 1 1 A 60 60 LYS CA C 60 54.465 55.145 -0.680 1
1 737 . 5 1 1 A 60 60 LYS CB C 60 36.153 36.377 -0.224 1
1 741 . 5 1 1 A 60 60 LYS N N 60 121.112 122.324 -1.212 1
1 742 . 5 1 1 A 61 61 ILE H H 61 8.527 8.836 -0.309 1
1 743 . 5 1 1 A 61 61 ILE HA H 61 4.724 4.954 -0.230 1
1 753 . 5 1 1 A 61 61 ILE C C 61 174.330 174.106 0.224 1
1 754 . 5 1 1 A 61 61 ILE CA C 61 58.831 59.050 -0.219 1
1 755 . 5 1 1 A 61 61 ILE CB C 61 41.357 41.007 0.350 1
1 759 . 5 1 1 A 61 61 ILE N N 61 116.027 120.384 -4.357 1
1 760 . 5 1 1 A 62 62 ASP H H 62 8.513 8.852 -0.339 1
1 761 . 5 1 1 A 62 62 ASP HA H 62 4.732 4.980 -0.248 1
1 764 . 5 1 1 A 62 62 ASP C C 62 174.224 175.269 -1.045 1
1 765 . 5 1 1 A 62 62 ASP CA C 62 53.163 53.071 0.092 1
1 766 . 5 1 1 A 62 62 ASP CB C 62 39.686 40.914 -1.228 1
1 767 . 5 1 1 A 62 62 ASP N N 62 121.643 123.771 -2.128 1
1 768 . 5 1 1 A 63 63 ILE H H 63 7.389 7.401 -0.012 1
1 769 . 5 1 1 A 63 63 ILE HA H 63 4.641 4.285 0.356 1
1 779 . 5 1 1 A 63 63 ILE C C 63 174.484 175.515 -1.031 1
1 780 . 5 1 1 A 63 63 ILE CA C 63 58.244 60.162 -1.918 1
1 781 . 5 1 1 A 63 63 ILE CB C 63 41.811 39.954 1.857 1
1 785 . 5 1 1 A 63 63 ILE N N 63 114.509 117.922 -3.413 1
1 786 . 5 1 1 A 64 64 GLN H H 64 8.529 8.472 0.057 1
1 787 . 5 1 1 A 64 64 GLN HA H 64 4.390 4.672 -0.282 1
1 792 . 5 1 1 A 64 64 GLN C C 64 174.409 175.765 -1.356 1
1 793 . 5 1 1 A 64 64 GLN CA C 64 53.860 54.208 -0.348 1
1 794 . 5 1 1 A 64 64 GLN CB C 64 30.086 30.582 -0.496 1
1 796 . 5 1 1 A 64 64 GLN N N 64 119.145 120.705 -1.560 1
1 797 . 5 1 1 A 65 65 LYS H H 65 8.323 8.662 -0.339 1
1 798 . 5 1 1 A 65 65 LYS HA H 65 4.132 4.357 -0.225 1
1 807 . 5 1 1 A 65 65 LYS C C 65 174.920 177.523 -2.603 1
1 808 . 5 1 1 A 65 65 LYS CA C 65 57.603 58.244 -0.641 1
1 809 . 5 1 1 A 65 65 LYS CB C 65 32.341 31.996 0.345 1
1 813 . 5 1 1 A 65 65 LYS N N 65 119.780 123.713 -3.933 1
1 814 . 5 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 5 1 1 A 66 66 GLY HA2 H 66 4.093 3.927 0.166 1
1 816 . 5 1 1 A 66 66 GLY HA3 H 66 3.297 3.928 -0.631 1
1 817 . 5 1 1 A 66 66 GLY C C 66 177.892 174.953 2.939 1
1 818 . 5 1 1 A 66 66 GLY CA C 66 44.953 46.196 -1.243 1
1 819 . 5 1 1 A 66 66 GLY N N 66 112.449 114.716 -2.267 1
1 820 . 5 1 1 A 67 67 ALA H H 67 7.545 7.626 -0.081 1
1 821 . 5 1 1 A 67 67 ALA HA H 67 4.081 4.494 -0.413 1
1 825 . 5 1 1 A 67 67 ALA C C 67 173.517 177.936 -4.419 1
1 826 . 5 1 1 A 67 67 ALA CA C 67 52.802 51.894 0.908 1
1 827 . 5 1 1 A 67 67 ALA CB C 67 20.424 20.448 -0.024 1
1 828 . 5 1 1 A 67 67 ALA N N 67 121.516 123.895 -2.379 1
1 829 . 5 1 1 A 68 68 SER H H 68 8.904 8.772 0.132 1
1 830 . 5 1 1 A 68 68 SER HA H 68 4.261 4.922 -0.661 1
1 833 . 5 1 1 A 68 68 SER C C 68 177.019 175.192 1.827 1
1 834 . 5 1 1 A 68 68 SER CA C 68 57.321 56.505 0.816 1
1 835 . 5 1 1 A 68 68 SER CB C 68 65.064 66.159 -1.095 1
1 836 . 5 1 1 A 68 68 SER N N 68 119.470 113.288 6.182 1
1 837 . 5 1 1 A 69 69 ASP H H 69 9.379 9.023 0.356 1
1 838 . 5 1 1 A 69 69 ASP HA H 69 4.184 4.276 -0.092 1
1 841 . 5 1 1 A 69 69 ASP C C 69 173.831 177.982 -4.151 1
1 842 . 5 1 1 A 69 69 ASP CA C 69 57.843 57.744 0.099 1
1 843 . 5 1 1 A 69 69 ASP CB C 69 39.367 40.755 -1.388 1
1 844 . 5 1 1 A 69 69 ASP N N 69 122.205 121.599 0.606 1
1 845 . 5 1 1 A 70 70 GLU H H 70 8.454 8.492 -0.038 1
1 846 . 5 1 1 A 70 70 GLU HA H 70 3.966 4.054 -0.088 1
1 851 . 5 1 1 A 70 70 GLU C C 70 177.979 178.914 -0.935 1
1 852 . 5 1 1 A 70 70 GLU CA C 70 59.987 59.613 0.374 1
1 853 . 5 1 1 A 70 70 GLU CB C 70 28.804 29.124 -0.320 1
1 855 . 5 1 1 A 70 70 GLU N N 70 118.426 119.096 -0.670 1
1 856 . 5 1 1 A 71 71 GLU H H 71 7.835 7.671 0.164 1
1 857 . 5 1 1 A 71 71 GLU HA H 71 4.050 4.069 -0.019 1
1 862 . 5 1 1 A 71 71 GLU C C 71 178.486 179.245 -0.759 1
1 863 . 5 1 1 A 71 71 GLU CA C 71 58.998 59.225 -0.227 1
1 864 . 5 1 1 A 71 71 GLU CB C 71 29.068 29.714 -0.646 1
1 866 . 5 1 1 A 71 71 GLU N N 71 122.166 119.533 2.633 1
1 867 . 5 1 1 A 72 72 VAL H H 72 8.387 8.062 0.325 1
1 868 . 5 1 1 A 72 72 VAL HA H 72 3.295 3.492 -0.197 1
1 876 . 5 1 1 A 72 72 VAL C C 72 178.603 178.036 0.567 1
1 877 . 5 1 1 A 72 72 VAL CA C 72 66.989 67.131 -0.142 1
1 878 . 5 1 1 A 72 72 VAL CB C 72 31.242 31.389 -0.147 1
1 881 . 5 1 1 A 72 72 VAL N N 72 118.871 119.739 -0.868 1
1 882 . 5 1 1 A 73 73 LYS H H 73 8.619 7.682 0.937 1
1 883 . 5 1 1 A 73 73 LYS HA H 73 3.734 3.917 -0.183 1
1 892 . 5 1 1 A 73 73 LYS C C 73 177.118 179.262 -2.144 1
1 893 . 5 1 1 A 73 73 LYS CA C 73 60.695 60.108 0.587 1
1 894 . 5 1 1 A 73 73 LYS CB C 73 32.320 32.175 0.145 1
1 898 . 5 1 1 A 73 73 LYS N N 73 118.351 118.644 -0.293 1
1 899 . 5 1 1 A 74 74 LYS H H 74 7.886 7.622 0.264 1
1 900 . 5 1 1 A 74 74 LYS HA H 74 4.133 4.020 0.113 1
1 909 . 5 1 1 A 74 74 LYS C C 74 178.306 179.740 -1.434 1
1 910 . 5 1 1 A 74 74 LYS CA C 74 58.954 59.902 -0.948 1
1 911 . 5 1 1 A 74 74 LYS CB C 74 31.974 32.321 -0.347 1
1 915 . 5 1 1 A 74 74 LYS N N 74 118.808 120.095 -1.287 1
1 916 . 5 1 1 A 75 75 LYS H H 75 8.118 7.778 0.340 1
1 917 . 5 1 1 A 75 75 LYS HA H 75 4.228 4.031 0.197 1
1 926 . 5 1 1 A 75 75 LYS C C 75 178.795 179.246 -0.451 1
1 927 . 5 1 1 A 75 75 LYS CA C 75 57.158 59.242 -2.084 1
1 928 . 5 1 1 A 75 75 LYS CB C 75 31.382 32.067 -0.685 1
1 932 . 5 1 1 A 75 75 LYS N N 75 118.374 119.454 -1.080 1
1 933 . 5 1 1 A 76 76 LEU H H 76 8.778 8.309 0.469 1
1 934 . 5 1 1 A 76 76 LEU HA H 76 3.931 4.094 -0.163 1
1 944 . 5 1 1 A 76 76 LEU C C 76 180.241 178.158 2.083 1
1 945 . 5 1 1 A 76 76 LEU CA C 76 58.203 57.800 0.403 1
1 946 . 5 1 1 A 76 76 LEU CB C 76 42.015 41.986 0.029 1
1 950 . 5 1 1 A 76 76 LEU N N 76 121.253 121.531 -0.278 1
1 951 . 5 1 1 A 77 77 GLU H H 77 7.951 8.261 -0.310 1
1 952 . 5 1 1 A 77 77 GLU HA H 77 4.227 3.981 0.246 1
1 957 . 5 1 1 A 77 77 GLU C C 77 178.403 179.053 -0.650 1
1 958 . 5 1 1 A 77 77 GLU CA C 77 58.892 59.526 -0.634 1
1 959 . 5 1 1 A 77 77 GLU CB C 77 28.925 29.107 -0.182 1
1 961 . 5 1 1 A 77 77 GLU N N 77 119.306 119.184 0.122 1
1 962 . 5 1 1 A 78 78 GLU H H 78 8.595 8.299 0.296 1
1 963 . 5 1 1 A 78 78 GLU HA H 78 4.099 4.026 0.073 1
1 968 . 5 1 1 A 78 78 GLU C C 78 180.586 178.334 2.252 1
1 969 . 5 1 1 A 78 78 GLU CA C 78 58.850 59.388 -0.538 1
1 970 . 5 1 1 A 78 78 GLU CB C 78 29.878 29.420 0.458 1
1 972 . 5 1 1 A 78 78 GLU N N 78 120.814 120.124 0.690 1
1 973 . 5 1 1 A 79 79 SER H H 79 7.519 7.513 0.006 1
1 974 . 5 1 1 A 79 79 SER HA H 79 4.592 4.523 0.069 1
1 977 . 5 1 1 A 79 79 SER C C 79 177.761 173.947 3.814 1
1 978 . 5 1 1 A 79 79 SER CA C 79 58.324 58.202 0.122 1
1 979 . 5 1 1 A 79 79 SER CB C 79 63.796 63.409 0.387 1
1 980 . 5 1 1 A 79 79 SER N N 79 110.823 111.615 -0.792 1
1 981 . 5 1 1 A 80 80 ASN H H 80 8.126 8.062 0.064 1
1 982 . 5 1 1 A 80 80 ASN HA H 80 4.700 4.416 0.284 1
1 985 . 5 1 1 A 80 80 ASN C C 80 172.562 175.801 -3.239 1
1 986 . 5 1 1 A 80 80 ASN CA C 80 53.603 54.387 -0.784 1
1 987 . 5 1 1 A 80 80 ASN CB C 80 36.754 38.029 -1.275 1
1 988 . 5 1 1 A 80 80 ASN N N 80 117.027 118.307 -1.280 1
1 989 . 5 1 1 A 81 81 LEU H H 81 8.526 7.619 0.907 1
1 990 . 5 1 1 A 81 81 LEU HA H 81 4.767 4.388 0.379 1
1 1000 . 5 1 1 A 81 81 LEU C C 81 175.743 177.881 -2.138 1
1 1001 . 5 1 1 A 81 81 LEU CA C 81 54.008 54.925 -0.917 1
1 1002 . 5 1 1 A 81 81 LEU CB C 81 45.026 42.414 2.612 1
1 1006 . 5 1 1 A 81 81 LEU N N 81 114.910 120.275 -5.365 1
1 1007 . 5 1 1 A 82 82 THR H H 82 7.848 7.762 0.086 1
1 1008 . 5 1 1 A 82 82 THR HA H 82 4.117 3.944 0.173 1
1 1013 . 5 1 1 A 82 82 THR C C 82 176.676 176.298 0.378 1
1 1014 . 5 1 1 A 82 82 THR CA C 82 67.474 67.004 0.470 1
1 1015 . 5 1 1 A 82 82 THR CB C 82 68.235 68.343 -0.108 1
1 1017 . 5 1 1 A 82 82 THR N N 82 117.802 113.702 4.100 1
1 1018 . 5 1 1 A 83 83 GLU H H 83 8.335 8.236 0.099 1
1 1019 . 5 1 1 A 83 83 GLU HA H 83 3.915 3.995 -0.080 1
1 1024 . 5 1 1 A 83 83 GLU C C 83 175.177 178.277 -3.100 1
1 1025 . 5 1 1 A 83 83 GLU CA C 83 59.541 59.623 -0.082 1
1 1026 . 5 1 1 A 83 83 GLU CB C 83 27.819 29.549 -1.730 1
1 1028 . 5 1 1 A 83 83 GLU N N 83 118.314 121.255 -2.941 1
1 1029 . 5 1 1 A 84 84 TYR H H 84 8.043 8.224 -0.181 1
1 1030 . 5 1 1 A 84 84 TYR HA H 84 4.111 4.156 -0.045 1
1 1037 . 5 1 1 A 84 84 TYR C C 84 179.081 177.876 1.205 1
1 1038 . 5 1 1 A 84 84 TYR CA C 84 60.788 61.171 -0.383 1
1 1039 . 5 1 1 A 84 84 TYR CB C 84 37.753 38.786 -1.033 1
1 1040 . 5 1 1 A 84 84 TYR N N 84 121.386 121.005 0.381 1
1 1041 . 5 1 1 A 85 85 MET H H 85 8.101 7.973 0.128 1
1 1042 . 5 1 1 A 85 85 MET HA H 85 4.259 4.180 0.079 1
1 1047 . 5 1 1 A 85 85 MET C C 85 178.628 178.450 0.178 1
1 1048 . 5 1 1 A 85 85 MET CA C 85 55.244 59.271 -4.027 1
1 1049 . 5 1 1 A 85 85 MET CB C 85 29.597 32.810 -3.213 1
1 1051 . 5 1 1 A 85 85 MET N N 85 116.695 118.075 -1.380 1
1 1052 . 5 1 1 A 86 86 LYS H H 86 7.301 7.549 -0.248 1
1 1053 . 5 1 1 A 86 86 LYS HA H 86 3.937 4.716 -0.779 1
1 1062 . 5 1 1 A 86 86 LYS C C 86 175.934 176.469 -0.535 1
1 1063 . 5 1 1 A 86 86 LYS CA C 86 57.318 59.035 -1.717 1
1 1064 . 5 1 1 A 86 86 LYS CB C 86 32.956 33.432 -0.476 1
1 1068 . 5 1 1 A 86 86 LYS N N 86 114.957 118.543 -3.586 1
1 1069 . 5 1 1 A 87 87 GLU H H 87 7.031 7.841 -0.810 1
1 1070 . 5 1 1 A 87 87 GLU HA H 87 4.185 4.829 -0.644 1
1 1075 . 5 1 1 A 87 87 GLU C C 87 176.247 175.172 1.075 1
1 1076 . 5 1 1 A 87 87 GLU CA C 87 55.780 55.365 0.415 1
1 1077 . 5 1 1 A 87 87 GLU CB C 87 29.358 31.410 -2.052 1
1 1079 . 5 1 1 A 87 87 GLU N N 87 119.315 119.184 0.131 1
1 1080 . 5 1 1 A 88 88 LYS H H 88 8.466 8.400 0.066 1
1 1081 . 5 1 1 A 88 88 LYS HA H 88 4.568 4.597 -0.029 1
1 1090 . 5 1 1 A 88 88 LYS C C 88 175.539 175.817 -0.278 1
1 1091 . 5 1 1 A 88 88 LYS CA C 88 55.271 54.384 0.887 1
1 1092 . 5 1 1 A 88 88 LYS CB C 88 33.457 36.191 -2.734 1
1 1096 . 5 1 1 A 88 88 LYS N N 88 127.402 125.188 2.214 1
1 1097 . 5 1 1 A 89 89 ILE H H 89 8.752 8.610 0.142 1
1 1098 . 5 1 1 A 89 89 ILE HA H 89 4.249 3.988 0.261 1
1 1108 . 5 1 1 A 89 89 ILE C C 89 176.471 176.633 -0.162 1
1 1109 . 5 1 1 A 89 89 ILE CA C 89 59.014 62.108 -3.094 1
1 1110 . 5 1 1 A 89 89 ILE CB C 89 38.437 37.944 0.493 1
1 1114 . 5 1 1 A 89 89 ILE N N 89 122.906 120.673 2.233 1
1 1115 . 5 1 1 A 90 90 LYS H H 90 8.394 8.206 0.188 1
1 1116 . 5 1 1 A 90 90 LYS HA H 90 4.284 4.184 0.100 1
1 1125 . 5 1 1 A 90 90 LYS C C 90 175.276 175.679 -0.403 1
1 1126 . 5 1 1 A 90 90 LYS CA C 90 55.821 56.542 -0.721 1
1 1127 . 5 1 1 A 90 90 LYS CB C 90 31.860 32.238 -0.378 1
1 1131 . 5 1 1 A 90 90 LYS N N 90 125.894 125.707 0.187 1
1 1132 . 5 1 1 A 91 91 ILE H H 91 8.141 8.980 -0.839 1
1 1133 . 5 1 1 A 91 91 ILE HA H 91 4.165 5.009 -0.844 1
1 1143 . 5 1 1 A 91 91 ILE C C 91 175.506 174.891 0.615 1
1 1144 . 5 1 1 A 91 91 ILE CA C 91 59.516 59.531 -0.015 1
1 1145 . 5 1 1 A 91 91 ILE CB C 91 37.991 40.534 -2.543 1
1 1149 . 5 1 1 A 91 91 ILE N N 91 124.934 125.888 -0.954 1
1 1150 . 5 1 1 A 92 92 ARG H H 92 8.488 8.350 0.138 1
1 1151 . 5 1 1 A 92 92 ARG HA H 92 4.318 4.404 -0.086 1
1 1158 . 5 1 1 A 92 92 ARG C C 92 175.508 175.260 0.248 1
1 1159 . 5 1 1 A 92 92 ARG CA C 92 55.708 55.813 -0.105 1
1 1160 . 5 1 1 A 92 92 ARG CB C 92 30.394 29.232 1.162 1
1 1163 . 5 1 1 A 92 92 ARG N N 92 126.033 126.376 -0.343 1
1 1164 . 5 1 1 A 93 93 MET H H 93 8.362 8.370 -0.008 1
1 1165 . 5 1 1 A 93 93 MET C C 93 175.367 174.893 0.474 1
1 1166 . 5 1 1 A 93 93 MET CA C 93 52.994 53.300 -0.306 1
1 1167 . 5 1 1 A 93 93 MET CB C 93 32.271 32.690 -0.419 1
1 1168 . 5 1 1 A 93 93 MET N N 93 123.282 124.749 -1.467 1
1 1169 . 5 1 1 A 94 94 PRO HA H 94 4.505 4.447 0.058 1
1 1176 . 5 1 1 A 94 94 PRO CA C 94 62.884 63.230 -0.346 1
1 1177 . 5 1 1 A 94 94 PRO CB C 94 31.885 31.928 -0.043 1
1 1180 . 5 1 1 A 95 95 THR H H 95 8.180 8.395 -0.215 1
1 1181 . 5 1 1 A 95 95 THR HA H 95 4.320 4.470 -0.150 1
1 1186 . 5 1 1 A 95 95 THR C C 95 176.463 173.000 3.463 1
1 1187 . 5 1 1 A 95 95 THR CA C 95 61.391 61.678 -0.287 1
1 1188 . 5 1 1 A 95 95 THR CB C 95 69.583 66.311 3.272 1
1 1190 . 5 1 1 A 95 95 THR N N 95 114.511 117.683 -3.172 1
1 1 . 6 1 1 A 2 2 PRO HA H 2 4.279 4.763 -0.484 1
1 8 . 6 1 1 A 2 2 PRO CA C 2 61.757 62.737 -0.980 1
1 9 . 6 1 1 A 2 2 PRO CB C 2 32.181 31.676 0.505 1
1 12 . 6 1 1 A 3 3 ALA H H 3 8.418 8.414 0.004 1
1 13 . 6 1 1 A 3 3 ALA HA H 3 4.242 4.656 -0.414 1
1 17 . 6 1 1 A 3 3 ALA C C 3 171.733 175.753 -4.020 1
1 18 . 6 1 1 A 3 3 ALA CA C 3 53.120 50.770 2.350 1
1 19 . 6 1 1 A 3 3 ALA CB C 3 19.076 22.631 -3.555 1
1 20 . 6 1 1 A 3 3 ALA N N 3 122.573 124.494 -1.921 1
1 21 . 6 1 1 A 4 4 ILE H H 4 8.389 8.597 -0.208 1
1 22 . 6 1 1 A 4 4 ILE HA H 4 3.730 3.664 0.066 1
1 32 . 6 1 1 A 4 4 ILE C C 4 177.391 174.729 2.662 1
1 33 . 6 1 1 A 4 4 ILE CA C 4 60.039 62.467 -2.428 1
1 34 . 6 1 1 A 4 4 ILE CB C 4 34.720 36.288 -1.568 1
1 38 . 6 1 1 A 4 4 ILE N N 4 119.283 116.139 3.144 1
1 39 . 6 1 1 A 5 5 GLU H H 5 6.799 7.803 -1.004 1
1 40 . 6 1 1 A 5 5 GLU HA H 5 4.630 4.512 0.118 1
1 45 . 6 1 1 A 5 5 GLU C C 5 173.009 174.880 -1.871 1
1 46 . 6 1 1 A 5 5 GLU CA C 5 53.474 55.669 -2.195 1
1 47 . 6 1 1 A 5 5 GLU CB C 5 32.091 32.293 -0.202 1
1 49 . 6 1 1 A 5 5 GLU N N 5 122.616 120.453 2.163 1
1 50 . 6 1 1 A 6 6 VAL H H 6 8.899 8.606 0.293 1
1 51 . 6 1 1 A 6 6 VAL HA H 6 3.318 4.324 -1.006 1
1 59 . 6 1 1 A 6 6 VAL C C 6 174.172 176.372 -2.200 1
1 60 . 6 1 1 A 6 6 VAL CA C 6 65.581 62.791 2.790 1
1 61 . 6 1 1 A 6 6 VAL CB C 6 30.939 31.946 -1.007 1
1 64 . 6 1 1 A 6 6 VAL N N 6 122.205 120.884 1.321 1
1 65 . 6 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 6 1 1 A 7 7 GLY HA2 H 7 5.016 3.989 1.027 1
1 67 . 6 1 1 A 7 7 GLY HA3 H 7 3.187 3.991 -0.804 1
1 68 . 6 1 1 A 7 7 GLY C C 7 176.688 174.008 2.680 1
1 69 . 6 1 1 A 7 7 GLY CA C 7 44.580 45.029 -0.449 1
1 70 . 6 1 1 A 7 7 GLY N N 7 115.742 113.690 2.052 1
1 71 . 6 1 1 A 8 8 ARG H H 8 8.128 7.876 0.252 1
1 72 . 6 1 1 A 8 8 ARG HA H 8 4.226 4.483 -0.257 1
1 79 . 6 1 1 A 8 8 ARG C C 8 173.667 175.708 -2.041 1
1 80 . 6 1 1 A 8 8 ARG CA C 8 54.906 55.315 -0.409 1
1 81 . 6 1 1 A 8 8 ARG CB C 8 29.331 31.153 -1.822 1
1 84 . 6 1 1 A 8 8 ARG N N 8 120.180 121.762 -1.582 1
1 85 . 6 1 1 A 9 9 ILE H H 9 8.571 8.523 0.048 1
1 86 . 6 1 1 A 9 9 ILE HA H 9 4.965 4.369 0.596 1
1 96 . 6 1 1 A 9 9 ILE C C 9 175.361 175.641 -0.280 1
1 97 . 6 1 1 A 9 9 ILE CA C 9 61.241 62.061 -0.820 1
1 98 . 6 1 1 A 9 9 ILE CB C 9 36.712 37.582 -0.870 1
1 102 . 6 1 1 A 9 9 ILE N N 9 129.626 127.758 1.868 1
1 103 . 6 1 1 A 10 10 CYS H H 10 9.614 8.552 1.062 1
1 104 . 6 1 1 A 10 10 CYS HA H 10 5.471 5.410 0.061 1
1 107 . 6 1 1 A 10 10 CYS C C 10 177.158 172.505 4.653 1
1 108 . 6 1 1 A 10 10 CYS CA C 10 57.088 57.551 -0.463 1
1 109 . 6 1 1 A 10 10 CYS CB C 10 32.935 31.823 1.112 1
1 110 . 6 1 1 A 10 10 CYS N N 10 126.595 125.501 1.094 1
1 111 . 6 1 1 A 11 11 VAL H H 11 8.926 9.385 -0.459 1
1 112 . 6 1 1 A 11 11 VAL HA H 11 4.351 4.920 -0.569 1
1 120 . 6 1 1 A 11 11 VAL C C 11 172.010 175.061 -3.051 1
1 121 . 6 1 1 A 11 11 VAL CA C 11 60.857 59.535 1.322 1
1 122 . 6 1 1 A 11 11 VAL CB C 11 33.989 34.382 -0.393 1
1 125 . 6 1 1 A 11 11 VAL N N 11 119.765 122.347 -2.582 1
1 126 . 6 1 1 A 12 12 LYS H H 12 8.961 8.109 0.852 1
1 127 . 6 1 1 A 12 12 LYS HA H 12 4.510 4.312 0.198 1
1 136 . 6 1 1 A 12 12 LYS C C 12 175.625 177.565 -1.940 1
1 137 . 6 1 1 A 12 12 LYS CA C 12 56.422 56.616 -0.194 1
1 138 . 6 1 1 A 12 12 LYS CB C 12 32.726 32.593 0.133 1
1 142 . 6 1 1 A 12 12 LYS N N 12 127.967 126.329 1.638 1
1 143 . 6 1 1 A 13 13 VAL H H 13 8.522 8.151 0.371 1
1 144 . 6 1 1 A 13 13 VAL HA H 13 4.518 4.490 0.028 1
1 152 . 6 1 1 A 13 13 VAL C C 13 176.284 175.432 0.852 1
1 153 . 6 1 1 A 13 13 VAL CA C 13 61.492 60.388 1.104 1
1 154 . 6 1 1 A 13 13 VAL CB C 13 32.089 31.520 0.569 1
1 157 . 6 1 1 A 13 13 VAL N N 13 118.593 118.219 0.374 1
1 158 . 6 1 1 A 14 14 LYS H H 14 7.310 7.857 -0.547 1
1 159 . 6 1 1 A 14 14 LYS HA H 14 4.580 4.421 0.159 1
1 168 . 6 1 1 A 14 14 LYS C C 14 174.043 177.222 -3.179 1
1 169 . 6 1 1 A 14 14 LYS CA C 14 54.090 57.464 -3.374 1
1 170 . 6 1 1 A 14 14 LYS CB C 14 36.489 33.229 3.260 1
1 174 . 6 1 1 A 14 14 LYS N N 14 117.809 125.165 -7.356 1
1 175 . 6 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 6 1 1 A 15 15 GLY HA2 H 15 4.264 3.933 0.331 1
1 177 . 6 1 1 A 15 15 GLY HA3 H 15 3.845 3.936 -0.091 1
1 178 . 6 1 1 A 15 15 GLY C C 15 175.166 174.382 0.784 1
1 179 . 6 1 1 A 15 15 GLY CA C 15 43.993 47.145 -3.152 1
1 180 . 6 1 1 A 15 15 GLY N N 15 108.732 115.445 -6.713 1
1 181 . 6 1 1 A 16 16 ARG H H 16 8.618 8.115 0.503 1
1 182 . 6 1 1 A 16 16 ARG HA H 16 4.082 4.534 -0.452 1
1 189 . 6 1 1 A 16 16 ARG C C 16 174.254 175.154 -0.900 1
1 190 . 6 1 1 A 16 16 ARG CA C 16 57.950 56.867 1.083 1
1 191 . 6 1 1 A 16 16 ARG CB C 16 29.776 32.830 -3.054 1
1 194 . 6 1 1 A 16 16 ARG N N 16 120.561 124.042 -3.481 1
1 195 . 6 1 1 A 17 17 GLU H H 17 8.935 7.811 1.124 1
1 196 . 6 1 1 A 17 17 GLU HA H 17 4.190 4.753 -0.563 1
1 201 . 6 1 1 A 17 17 GLU C C 17 177.426 174.811 2.615 1
1 202 . 6 1 1 A 17 17 GLU CA C 17 55.386 55.212 0.174 1
1 203 . 6 1 1 A 17 17 GLU CB C 17 27.412 33.174 -5.762 1
1 205 . 6 1 1 A 17 17 GLU N N 17 115.930 116.669 -0.739 1
1 206 . 6 1 1 A 18 18 ALA H H 18 7.267 8.900 -1.633 1
1 207 . 6 1 1 A 18 18 ALA HA H 18 3.737 5.011 -1.274 1
1 211 . 6 1 1 A 18 18 ALA C C 18 174.969 178.228 -3.259 1
1 212 . 6 1 1 A 18 18 ALA CA C 18 53.272 50.764 2.508 1
1 213 . 6 1 1 A 18 18 ALA CB C 18 17.382 20.162 -2.780 1
1 214 . 6 1 1 A 18 18 ALA N N 18 120.485 127.495 -7.010 1
1 215 . 6 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 6 1 1 A 19 19 GLY HA2 H 19 4.680 3.680 1.000 1
1 217 . 6 1 1 A 19 19 GLY HA3 H 19 3.451 3.691 -0.240 1
1 218 . 6 1 1 A 19 19 GLY C C 19 178.386 173.351 5.035 1
1 219 . 6 1 1 A 19 19 GLY CA C 19 44.905 46.428 -1.523 1
1 220 . 6 1 1 A 19 19 GLY N N 19 112.194 110.244 1.950 1
1 221 . 6 1 1 A 20 20 SER H H 20 8.162 7.781 0.381 1
1 222 . 6 1 1 A 20 20 SER HA H 20 4.861 4.984 -0.123 1
1 225 . 6 1 1 A 20 20 SER C C 20 173.441 173.098 0.343 1
1 226 . 6 1 1 A 20 20 SER CA C 20 58.253 57.519 0.734 1
1 227 . 6 1 1 A 20 20 SER CB C 20 64.447 65.132 -0.685 1
1 228 . 6 1 1 A 20 20 SER N N 20 115.207 114.871 0.336 1
1 229 . 6 1 1 A 21 21 LYS H H 21 8.836 8.688 0.148 1
1 230 . 6 1 1 A 21 21 LYS HA H 21 5.369 5.108 0.261 1
1 239 . 6 1 1 A 21 21 LYS C C 21 172.859 175.530 -2.671 1
1 240 . 6 1 1 A 21 21 LYS CA C 21 55.508 54.958 0.550 1
1 241 . 6 1 1 A 21 21 LYS CB C 21 34.795 34.696 0.099 1
1 245 . 6 1 1 A 21 21 LYS N N 21 121.269 126.013 -4.744 1
1 246 . 6 1 1 A 22 22 CYS H H 22 8.905 8.337 0.568 1
1 247 . 6 1 1 A 22 22 CYS HA H 22 5.527 5.262 0.265 1
1 250 . 6 1 1 A 22 22 CYS C C 22 174.204 173.309 0.895 1
1 251 . 6 1 1 A 22 22 CYS CA C 22 55.584 57.656 -2.072 1
1 252 . 6 1 1 A 22 22 CYS CB C 22 30.941 32.935 -1.994 1
1 253 . 6 1 1 A 22 22 CYS N N 22 110.073 121.394 -11.321 1
1 254 . 6 1 1 A 23 23 VAL H H 23 9.325 8.748 0.577 1
1 255 . 6 1 1 A 23 23 VAL HA H 23 4.761 4.838 -0.077 1
1 263 . 6 1 1 A 23 23 VAL C C 23 171.121 174.833 -3.712 1
1 264 . 6 1 1 A 23 23 VAL CA C 23 60.552 60.899 -0.347 1
1 265 . 6 1 1 A 23 23 VAL CB C 23 35.141 34.774 0.367 1
1 268 . 6 1 1 A 23 23 VAL N N 23 119.042 122.189 -3.147 1
1 269 . 6 1 1 A 24 24 ILE H H 24 8.239 9.128 -0.889 1
1 270 . 6 1 1 A 24 24 ILE HA H 24 4.239 4.320 -0.081 1
1 280 . 6 1 1 A 24 24 ILE C C 24 175.805 176.810 -1.005 1
1 281 . 6 1 1 A 24 24 ILE CA C 24 62.552 61.012 1.540 1
1 282 . 6 1 1 A 24 24 ILE CB C 24 36.819 38.004 -1.185 1
1 286 . 6 1 1 A 24 24 ILE N N 24 124.259 126.384 -2.125 1
1 287 . 6 1 1 A 25 25 VAL H H 25 9.205 8.685 0.520 1
1 288 . 6 1 1 A 25 25 VAL HA H 25 4.689 4.452 0.237 1
1 296 . 6 1 1 A 25 25 VAL C C 25 175.650 175.068 0.582 1
1 297 . 6 1 1 A 25 25 VAL CA C 25 60.947 61.988 -1.041 1
1 298 . 6 1 1 A 25 25 VAL CB C 25 32.986 33.706 -0.720 1
1 301 . 6 1 1 A 25 25 VAL N N 25 121.805 120.021 1.784 1
1 302 . 6 1 1 A 26 26 ASP H H 26 8.103 7.695 0.408 1
1 303 . 6 1 1 A 26 26 ASP HA H 26 4.771 5.147 -0.376 1
1 306 . 6 1 1 A 26 26 ASP C C 26 174.343 174.335 0.008 1
1 307 . 6 1 1 A 26 26 ASP CA C 26 53.671 52.626 1.045 1
1 308 . 6 1 1 A 26 26 ASP CB C 26 43.563 44.204 -0.641 1
1 309 . 6 1 1 A 26 26 ASP N N 26 118.459 120.807 -2.348 1
1 310 . 6 1 1 A 27 27 ILE H H 27 9.092 8.970 0.122 1
1 311 . 6 1 1 A 27 27 ILE HA H 27 4.273 4.350 -0.077 1
1 321 . 6 1 1 A 27 27 ILE C C 27 173.976 175.531 -1.555 1
1 322 . 6 1 1 A 27 27 ILE CA C 27 60.306 61.007 -0.701 1
1 323 . 6 1 1 A 27 27 ILE CB C 27 38.339 37.110 1.229 1
1 327 . 6 1 1 A 27 27 ILE N N 27 124.375 126.662 -2.287 1
1 328 . 6 1 1 A 28 28 ILE H H 28 8.055 8.820 -0.765 1
1 329 . 6 1 1 A 28 28 ILE HA H 28 3.986 4.077 -0.091 1
1 339 . 6 1 1 A 28 28 ILE C C 28 174.733 175.351 -0.618 1
1 340 . 6 1 1 A 28 28 ILE CA C 28 62.414 63.193 -0.779 1
1 341 . 6 1 1 A 28 28 ILE CB C 28 37.450 38.542 -1.092 1
1 345 . 6 1 1 A 28 28 ILE N N 28 127.525 129.341 -1.816 1
1 346 . 6 1 1 A 29 29 ASP H H 29 8.438 8.194 0.244 1
1 347 . 6 1 1 A 29 29 ASP HA H 29 4.522 4.907 -0.385 1
1 350 . 6 1 1 A 29 29 ASP C C 29 175.289 174.585 0.704 1
1 351 . 6 1 1 A 29 29 ASP CA C 29 53.316 52.918 0.398 1
1 352 . 6 1 1 A 29 29 ASP CB C 29 39.450 44.220 -4.770 1
1 353 . 6 1 1 A 29 29 ASP N N 29 118.886 116.937 1.949 1
1 354 . 6 1 1 A 30 30 ASP H H 30 8.140 8.779 -0.639 1
1 355 . 6 1 1 A 30 30 ASP HA H 30 4.375 4.582 -0.207 1
1 358 . 6 1 1 A 30 30 ASP C C 30 174.332 176.552 -2.220 1
1 359 . 6 1 1 A 30 30 ASP CA C 30 56.171 56.048 0.123 1
1 360 . 6 1 1 A 30 30 ASP CB C 30 40.302 41.506 -1.204 1
1 361 . 6 1 1 A 30 30 ASP N N 30 112.219 121.621 -9.402 1
1 362 . 6 1 1 A 31 31 ASN H H 31 8.866 8.441 0.425 1
1 363 . 6 1 1 A 31 31 ASN HA H 31 4.805 4.738 0.067 1
1 366 . 6 1 1 A 31 31 ASN C C 31 175.926 174.346 1.580 1
1 367 . 6 1 1 A 31 31 ASN CA C 31 54.015 54.210 -0.195 1
1 368 . 6 1 1 A 31 31 ASN CB C 31 42.366 39.956 2.410 1
1 369 . 6 1 1 A 31 31 ASN N N 31 114.650 117.614 -2.964 1
1 370 . 6 1 1 A 32 32 PHE H H 32 8.481 7.897 0.584 1
1 371 . 6 1 1 A 32 32 PHE HA H 32 5.279 5.204 0.075 1
1 376 . 6 1 1 A 32 32 PHE C C 32 173.451 175.380 -1.929 1
1 377 . 6 1 1 A 32 32 PHE CA C 32 57.629 56.751 0.878 1
1 378 . 6 1 1 A 32 32 PHE CB C 32 42.418 41.722 0.696 1
1 379 . 6 1 1 A 32 32 PHE N N 32 117.648 116.204 1.444 1
1 380 . 6 1 1 A 33 33 VAL H H 33 8.680 9.408 -0.728 1
1 381 . 6 1 1 A 33 33 VAL HA H 33 4.720 5.069 -0.349 1
1 389 . 6 1 1 A 33 33 VAL C C 33 174.458 173.431 1.027 1
1 390 . 6 1 1 A 33 33 VAL CA C 33 58.331 59.394 -1.063 1
1 391 . 6 1 1 A 33 33 VAL CB C 33 34.410 36.347 -1.937 1
1 394 . 6 1 1 A 33 33 VAL N N 33 110.814 116.269 -5.455 1
1 395 . 6 1 1 A 34 34 LEU H H 34 8.696 8.984 -0.288 1
1 396 . 6 1 1 A 34 34 LEU HA H 34 4.871 5.213 -0.342 1
1 406 . 6 1 1 A 34 34 LEU C C 34 172.716 175.750 -3.034 1
1 407 . 6 1 1 A 34 34 LEU CA C 34 53.776 53.461 0.315 1
1 408 . 6 1 1 A 34 34 LEU CB C 34 44.582 44.426 0.156 1
1 412 . 6 1 1 A 34 34 LEU N N 34 123.160 124.462 -1.302 1
1 413 . 6 1 1 A 35 35 VAL H H 35 8.460 8.800 -0.340 1
1 414 . 6 1 1 A 35 35 VAL HA H 35 5.674 5.105 0.569 1
1 422 . 6 1 1 A 35 35 VAL C C 35 176.009 174.091 1.918 1
1 423 . 6 1 1 A 35 35 VAL CA C 35 57.423 59.894 -2.471 1
1 424 . 6 1 1 A 35 35 VAL CB C 35 35.541 33.768 1.773 1
1 427 . 6 1 1 A 35 35 VAL N N 35 119.184 122.517 -3.333 1
1 428 . 6 1 1 A 36 36 THR H H 36 8.362 9.363 -1.001 1
1 429 . 6 1 1 A 36 36 THR HA H 36 4.535 5.084 -0.549 1
1 434 . 6 1 1 A 36 36 THR C C 36 173.498 172.595 0.903 1
1 435 . 6 1 1 A 36 36 THR CA C 36 59.643 59.450 0.193 1
1 436 . 6 1 1 A 36 36 THR CB C 36 70.439 71.945 -1.506 1
1 438 . 6 1 1 A 36 36 THR N N 36 109.151 117.682 -8.531 1
1 439 . 6 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 6 1 1 A 37 37 GLY C C 37 172.460 172.709 -0.249 1
1 441 . 6 1 1 A 37 37 GLY CA C 37 51.421 43.768 7.653 1
1 442 . 6 1 1 A 37 37 GLY N N 37 115.474 114.475 0.999 1
1 443 . 6 1 1 A 38 38 PRO HA H 38 5.235 4.718 0.517 1
1 450 . 6 1 1 A 38 38 PRO CA C 38 60.459 62.550 -2.091 1
1 451 . 6 1 1 A 38 38 PRO CB C 38 35.517 30.618 4.899 1
1 454 . 6 1 1 A 39 39 LYS H H 39 9.463 8.226 1.237 1
1 455 . 6 1 1 A 39 39 LYS HA H 39 3.545 3.880 -0.335 1
1 464 . 6 1 1 A 39 39 LYS C C 39 179.019 176.800 2.219 1
1 465 . 6 1 1 A 39 39 LYS CA C 39 60.344 57.181 3.163 1
1 466 . 6 1 1 A 39 39 LYS CB C 39 31.826 32.696 -0.870 1
1 470 . 6 1 1 A 39 39 LYS N N 39 127.869 122.603 5.266 1
1 471 . 6 1 1 A 40 40 ASP H H 40 9.035 8.944 0.091 1
1 472 . 6 1 1 A 40 40 ASP HA H 40 4.375 4.243 0.132 1
1 475 . 6 1 1 A 40 40 ASP C C 40 177.615 176.267 1.348 1
1 476 . 6 1 1 A 40 40 ASP CA C 40 55.080 56.167 -1.087 1
1 477 . 6 1 1 A 40 40 ASP CB C 40 39.209 38.602 0.607 1
1 478 . 6 1 1 A 40 40 ASP N N 40 115.744 121.439 -5.695 1
1 479 . 6 1 1 A 41 41 ILE H H 41 7.739 8.048 -0.309 1
1 480 . 6 1 1 A 41 41 ILE HA H 41 4.218 3.872 0.346 1
1 490 . 6 1 1 A 41 41 ILE C C 41 174.826 177.632 -2.806 1
1 491 . 6 1 1 A 41 41 ILE CA C 41 61.664 64.099 -2.435 1
1 492 . 6 1 1 A 41 41 ILE CB C 41 37.453 38.193 -0.740 1
1 496 . 6 1 1 A 41 41 ILE N N 41 116.447 119.347 -2.900 1
1 497 . 6 1 1 A 42 42 THR H H 42 7.766 8.074 -0.308 1
1 498 . 6 1 1 A 42 42 THR HA H 42 4.734 4.498 0.236 1
1 503 . 6 1 1 A 42 42 THR C C 42 175.827 175.765 0.062 1
1 504 . 6 1 1 A 42 42 THR CA C 42 60.110 62.447 -2.337 1
1 505 . 6 1 1 A 42 42 THR CB C 42 71.791 70.437 1.354 1
1 507 . 6 1 1 A 42 42 THR N N 42 104.054 109.547 -5.493 1
1 508 . 6 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 6 1 1 A 43 43 GLY HA2 H 43 4.461 4.068 0.393 1
1 510 . 6 1 1 A 43 43 GLY HA3 H 43 3.836 4.069 -0.233 1
1 511 . 6 1 1 A 43 43 GLY C C 43 175.208 174.590 0.618 1
1 512 . 6 1 1 A 43 43 GLY CA C 43 44.826 44.910 -0.084 1
1 513 . 6 1 1 A 43 43 GLY N N 43 109.006 110.993 -1.987 1
1 514 . 6 1 1 A 44 44 VAL H H 44 7.289 7.143 0.146 1
1 515 . 6 1 1 A 44 44 VAL HA H 44 3.945 3.842 0.103 1
1 523 . 6 1 1 A 44 44 VAL C C 44 173.149 175.941 -2.792 1
1 524 . 6 1 1 A 44 44 VAL CA C 44 62.902 62.341 0.561 1
1 525 . 6 1 1 A 44 44 VAL CB C 44 31.715 31.855 -0.140 1
1 528 . 6 1 1 A 44 44 VAL N N 44 120.903 122.206 -1.303 1
1 529 . 6 1 1 A 45 45 LYS H H 45 8.308 8.329 -0.021 1
1 530 . 6 1 1 A 45 45 LYS HA H 45 4.190 4.392 -0.202 1
1 539 . 6 1 1 A 45 45 LYS C C 45 175.177 176.089 -0.912 1
1 540 . 6 1 1 A 45 45 LYS CA C 45 56.355 56.170 0.185 1
1 541 . 6 1 1 A 45 45 LYS CB C 45 33.385 33.202 0.183 1
1 545 . 6 1 1 A 45 45 LYS N N 45 128.406 125.668 2.738 1
1 546 . 6 1 1 A 46 46 ARG H H 46 8.080 8.926 -0.846 1
1 547 . 6 1 1 A 46 46 ARG HA H 46 5.720 5.140 0.580 1
1 554 . 6 1 1 A 46 46 ARG C C 46 173.780 174.792 -1.012 1
1 555 . 6 1 1 A 46 46 ARG CA C 46 54.888 54.526 0.362 1
1 556 . 6 1 1 A 46 46 ARG CB C 46 29.630 33.318 -3.688 1
1 559 . 6 1 1 A 46 46 ARG N N 46 120.129 119.613 0.516 1
1 560 . 6 1 1 A 47 47 ARG H H 47 8.452 8.810 -0.358 1
1 561 . 6 1 1 A 47 47 ARG HA H 47 4.732 4.988 -0.256 1
1 568 . 6 1 1 A 47 47 ARG C C 47 176.138 174.722 1.416 1
1 569 . 6 1 1 A 47 47 ARG CA C 47 54.319 54.553 -0.234 1
1 570 . 6 1 1 A 47 47 ARG CB C 47 33.746 32.756 0.990 1
1 573 . 6 1 1 A 47 47 ARG N N 47 126.780 119.914 6.866 1
1 574 . 6 1 1 A 48 48 ARG H H 48 8.546 8.372 0.174 1
1 575 . 6 1 1 A 48 48 ARG HA H 48 5.111 4.909 0.202 1
1 582 . 6 1 1 A 48 48 ARG C C 48 174.339 175.633 -1.294 1
1 583 . 6 1 1 A 48 48 ARG CA C 48 55.524 56.122 -0.598 1
1 584 . 6 1 1 A 48 48 ARG CB C 48 31.132 30.577 0.555 1
1 587 . 6 1 1 A 48 48 ARG N N 48 121.931 120.770 1.161 1
1 588 . 6 1 1 A 49 49 VAL H H 49 9.485 8.942 0.543 1
1 589 . 6 1 1 A 49 49 VAL HA H 49 4.651 4.694 -0.043 1
1 597 . 6 1 1 A 49 49 VAL C C 49 176.112 174.197 1.915 1
1 598 . 6 1 1 A 49 49 VAL CA C 49 60.040 60.095 -0.055 1
1 599 . 6 1 1 A 49 49 VAL CB C 49 36.427 35.531 0.896 1
1 602 . 6 1 1 A 49 49 VAL N N 49 122.891 119.917 2.974 1
1 603 . 6 1 1 A 50 50 ASN H H 50 8.569 8.891 -0.322 1
1 604 . 6 1 1 A 50 50 ASN HA H 50 4.213 4.950 -0.737 1
1 607 . 6 1 1 A 50 50 ASN C C 50 173.258 177.402 -4.144 1
1 608 . 6 1 1 A 50 50 ASN CA C 50 52.732 52.194 0.538 1
1 609 . 6 1 1 A 50 50 ASN CB C 50 38.173 38.846 -0.673 1
1 610 . 6 1 1 A 50 50 ASN N N 50 125.736 121.828 3.908 1
1 611 . 6 1 1 A 51 51 ILE H H 51 8.601 8.229 0.372 1
1 612 . 6 1 1 A 51 51 ILE HA H 51 3.632 3.721 -0.089 1
1 622 . 6 1 1 A 51 51 ILE C C 51 176.785 177.122 -0.337 1
1 623 . 6 1 1 A 51 51 ILE CA C 51 65.046 63.692 1.354 1
1 624 . 6 1 1 A 51 51 ILE CB C 51 38.532 38.530 0.002 1
1 628 . 6 1 1 A 51 51 ILE N N 51 126.454 117.495 8.959 1
1 629 . 6 1 1 A 52 52 LEU H H 52 8.448 8.016 0.432 1
1 630 . 6 1 1 A 52 52 LEU HA H 52 4.290 4.162 0.128 1
1 640 . 6 1 1 A 52 52 LEU C C 52 176.765 176.035 0.730 1
1 641 . 6 1 1 A 52 52 LEU CA C 52 55.880 56.321 -0.441 1
1 642 . 6 1 1 A 52 52 LEU CB C 52 40.983 41.527 -0.544 1
1 646 . 6 1 1 A 52 52 LEU N N 52 118.365 123.056 -4.691 1
1 647 . 6 1 1 A 53 53 HIS H H 53 8.358 8.562 -0.204 1
1 648 . 6 1 1 A 53 53 HIS HA H 53 4.621 4.229 0.392 1
1 651 . 6 1 1 A 53 53 HIS C C 53 178.018 173.994 4.024 1
1 652 . 6 1 1 A 53 53 HIS CA C 53 53.996 56.800 -2.804 1
1 653 . 6 1 1 A 53 53 HIS CB C 53 30.306 28.169 2.137 1
1 654 . 6 1 1 A 53 53 HIS N N 53 116.672 117.479 -0.807 1
1 655 . 6 1 1 A 54 54 LEU H H 54 7.693 7.780 -0.087 1
1 656 . 6 1 1 A 54 54 LEU HA H 54 5.222 4.998 0.224 1
1 666 . 6 1 1 A 54 54 LEU C C 54 173.609 175.179 -1.570 1
1 667 . 6 1 1 A 54 54 LEU CA C 54 52.932 52.816 0.116 1
1 668 . 6 1 1 A 54 54 LEU CB C 54 45.943 46.171 -0.228 1
1 672 . 6 1 1 A 54 54 LEU N N 54 119.311 117.480 1.831 1
1 673 . 6 1 1 A 55 55 GLU H H 55 9.073 8.928 0.145 1
1 674 . 6 1 1 A 55 55 GLU C C 55 175.102 174.013 1.089 1
1 675 . 6 1 1 A 55 55 GLU CA C 55 52.073 52.827 -0.754 1
1 676 . 6 1 1 A 55 55 GLU CB C 55 31.958 31.835 0.123 1
1 677 . 6 1 1 A 55 55 GLU N N 55 120.139 118.514 1.625 1
1 678 . 6 1 1 A 56 56 PRO HA H 56 4.903 4.718 0.185 1
1 685 . 6 1 1 A 56 56 PRO CA C 56 63.121 62.491 0.630 1
1 686 . 6 1 1 A 56 56 PRO CB C 56 32.274 32.644 -0.370 1
1 689 . 6 1 1 A 57 57 THR H H 57 8.502 8.520 -0.018 1
1 690 . 6 1 1 A 57 57 THR HA H 57 4.932 4.574 0.358 1
1 695 . 6 1 1 A 57 57 THR C C 57 175.894 174.895 0.999 1
1 696 . 6 1 1 A 57 57 THR CA C 57 60.602 60.196 0.406 1
1 697 . 6 1 1 A 57 57 THR CB C 57 71.821 71.737 0.084 1
1 699 . 6 1 1 A 57 57 THR N N 57 113.388 112.392 0.996 1
1 700 . 6 1 1 A 58 58 ASP H H 58 8.605 8.642 -0.037 1
1 701 . 6 1 1 A 58 58 ASP HA H 58 4.445 4.511 -0.066 1
1 704 . 6 1 1 A 58 58 ASP C C 58 173.673 176.911 -3.238 1
1 705 . 6 1 1 A 58 58 ASP CA C 58 53.743 56.503 -2.760 1
1 706 . 6 1 1 A 58 58 ASP CB C 58 39.622 41.966 -2.344 1
1 707 . 6 1 1 A 58 58 ASP N N 58 115.340 119.498 -4.158 1
1 708 . 6 1 1 A 59 59 LYS H H 59 8.544 7.706 0.838 1
1 709 . 6 1 1 A 59 59 LYS HA H 59 4.646 4.297 0.349 1
1 718 . 6 1 1 A 59 59 LYS C C 59 174.972 176.353 -1.381 1
1 719 . 6 1 1 A 59 59 LYS CA C 59 54.336 56.535 -2.199 1
1 720 . 6 1 1 A 59 59 LYS CB C 59 34.626 33.149 1.477 1
1 724 . 6 1 1 A 59 59 LYS N N 59 119.488 117.036 2.452 1
1 725 . 6 1 1 A 60 60 LYS H H 60 8.227 8.727 -0.500 1
1 726 . 6 1 1 A 60 60 LYS HA H 60 4.999 4.885 0.114 1
1 735 . 6 1 1 A 60 60 LYS C C 60 174.256 175.161 -0.905 1
1 736 . 6 1 1 A 60 60 LYS CA C 60 54.465 54.430 0.035 1
1 737 . 6 1 1 A 60 60 LYS CB C 60 36.153 35.019 1.134 1
1 741 . 6 1 1 A 60 60 LYS N N 60 121.112 120.929 0.183 1
1 742 . 6 1 1 A 61 61 ILE H H 61 8.527 8.858 -0.331 1
1 743 . 6 1 1 A 61 61 ILE HA H 61 4.724 5.028 -0.304 1
1 753 . 6 1 1 A 61 61 ILE C C 61 174.330 173.923 0.407 1
1 754 . 6 1 1 A 61 61 ILE CA C 61 58.831 58.784 0.047 1
1 755 . 6 1 1 A 61 61 ILE CB C 61 41.357 41.651 -0.294 1
1 759 . 6 1 1 A 61 61 ILE N N 61 116.027 113.220 2.807 1
1 760 . 6 1 1 A 62 62 ASP H H 62 8.513 8.648 -0.135 1
1 761 . 6 1 1 A 62 62 ASP HA H 62 4.732 5.195 -0.463 1
1 764 . 6 1 1 A 62 62 ASP C C 62 174.224 174.430 -0.206 1
1 765 . 6 1 1 A 62 62 ASP CA C 62 53.163 53.672 -0.509 1
1 766 . 6 1 1 A 62 62 ASP CB C 62 39.686 42.084 -2.398 1
1 767 . 6 1 1 A 62 62 ASP N N 62 121.643 120.979 0.664 1
1 768 . 6 1 1 A 63 63 ILE H H 63 7.389 8.939 -1.550 1
1 769 . 6 1 1 A 63 63 ILE HA H 63 4.641 5.098 -0.457 1
1 779 . 6 1 1 A 63 63 ILE C C 63 174.484 173.864 0.620 1
1 780 . 6 1 1 A 63 63 ILE CA C 63 58.244 58.395 -0.151 1
1 781 . 6 1 1 A 63 63 ILE CB C 63 41.811 42.220 -0.409 1
1 785 . 6 1 1 A 63 63 ILE N N 63 114.509 121.772 -7.263 1
1 786 . 6 1 1 A 64 64 GLN H H 64 8.529 8.596 -0.067 1
1 787 . 6 1 1 A 64 64 GLN HA H 64 4.390 4.670 -0.280 1
1 792 . 6 1 1 A 64 64 GLN C C 64 174.409 175.907 -1.498 1
1 793 . 6 1 1 A 64 64 GLN CA C 64 53.860 54.728 -0.868 1
1 794 . 6 1 1 A 64 64 GLN CB C 64 30.086 30.188 -0.102 1
1 796 . 6 1 1 A 64 64 GLN N N 64 119.145 122.617 -3.472 1
1 797 . 6 1 1 A 65 65 LYS H H 65 8.323 8.649 -0.326 1
1 798 . 6 1 1 A 65 65 LYS HA H 65 4.132 3.968 0.164 1
1 807 . 6 1 1 A 65 65 LYS C C 65 174.920 177.313 -2.393 1
1 808 . 6 1 1 A 65 65 LYS CA C 65 57.603 58.255 -0.652 1
1 809 . 6 1 1 A 65 65 LYS CB C 65 32.341 32.052 0.289 1
1 813 . 6 1 1 A 65 65 LYS N N 65 119.780 126.702 -6.922 1
1 814 . 6 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 6 1 1 A 66 66 GLY HA2 H 66 4.093 3.993 0.100 1
1 816 . 6 1 1 A 66 66 GLY HA3 H 66 3.297 3.994 -0.697 1
1 817 . 6 1 1 A 66 66 GLY C C 66 177.892 174.604 3.288 1
1 818 . 6 1 1 A 66 66 GLY CA C 66 44.953 45.149 -0.196 1
1 819 . 6 1 1 A 66 66 GLY N N 66 112.449 114.930 -2.481 1
1 820 . 6 1 1 A 67 67 ALA H H 67 7.545 7.944 -0.399 1
1 821 . 6 1 1 A 67 67 ALA HA H 67 4.081 4.319 -0.238 1
1 825 . 6 1 1 A 67 67 ALA C C 67 173.517 177.024 -3.507 1
1 826 . 6 1 1 A 67 67 ALA CA C 67 52.802 52.503 0.299 1
1 827 . 6 1 1 A 67 67 ALA CB C 67 20.424 19.677 0.747 1
1 828 . 6 1 1 A 67 67 ALA N N 67 121.516 124.477 -2.961 1
1 829 . 6 1 1 A 68 68 SER H H 68 8.904 9.210 -0.306 1
1 830 . 6 1 1 A 68 68 SER HA H 68 4.261 4.643 -0.382 1
1 833 . 6 1 1 A 68 68 SER C C 68 177.019 175.417 1.602 1
1 834 . 6 1 1 A 68 68 SER CA C 68 57.321 57.737 -0.416 1
1 835 . 6 1 1 A 68 68 SER CB C 68 65.064 64.537 0.527 1
1 836 . 6 1 1 A 68 68 SER N N 68 119.470 118.001 1.469 1
1 837 . 6 1 1 A 69 69 ASP H H 69 9.379 8.972 0.407 1
1 838 . 6 1 1 A 69 69 ASP HA H 69 4.184 4.250 -0.066 1
1 841 . 6 1 1 A 69 69 ASP C C 69 173.831 177.913 -4.082 1
1 842 . 6 1 1 A 69 69 ASP CA C 69 57.843 57.860 -0.017 1
1 843 . 6 1 1 A 69 69 ASP CB C 69 39.367 41.342 -1.975 1
1 844 . 6 1 1 A 69 69 ASP N N 69 122.205 124.030 -1.825 1
1 845 . 6 1 1 A 70 70 GLU H H 70 8.454 8.468 -0.014 1
1 846 . 6 1 1 A 70 70 GLU HA H 70 3.966 4.001 -0.035 1
1 851 . 6 1 1 A 70 70 GLU C C 70 177.979 179.131 -1.152 1
1 852 . 6 1 1 A 70 70 GLU CA C 70 59.987 59.758 0.229 1
1 853 . 6 1 1 A 70 70 GLU CB C 70 28.804 29.132 -0.328 1
1 855 . 6 1 1 A 70 70 GLU N N 70 118.426 118.676 -0.250 1
1 856 . 6 1 1 A 71 71 GLU H H 71 7.835 8.020 -0.185 1
1 857 . 6 1 1 A 71 71 GLU HA H 71 4.050 4.175 -0.125 1
1 862 . 6 1 1 A 71 71 GLU C C 71 178.486 179.125 -0.639 1
1 863 . 6 1 1 A 71 71 GLU CA C 71 58.998 58.923 0.075 1
1 864 . 6 1 1 A 71 71 GLU CB C 71 29.068 29.627 -0.559 1
1 866 . 6 1 1 A 71 71 GLU N N 71 122.166 119.625 2.541 1
1 867 . 6 1 1 A 72 72 VAL H H 72 8.387 8.173 0.214 1
1 868 . 6 1 1 A 72 72 VAL HA H 72 3.295 3.470 -0.175 1
1 876 . 6 1 1 A 72 72 VAL C C 72 178.603 177.569 1.034 1
1 877 . 6 1 1 A 72 72 VAL CA C 72 66.989 67.125 -0.136 1
1 878 . 6 1 1 A 72 72 VAL CB C 72 31.242 31.553 -0.311 1
1 881 . 6 1 1 A 72 72 VAL N N 72 118.871 120.111 -1.240 1
1 882 . 6 1 1 A 73 73 LYS H H 73 8.619 8.659 -0.040 1
1 883 . 6 1 1 A 73 73 LYS HA H 73 3.734 4.050 -0.316 1
1 892 . 6 1 1 A 73 73 LYS C C 73 177.118 178.567 -1.449 1
1 893 . 6 1 1 A 73 73 LYS CA C 73 60.695 59.205 1.490 1
1 894 . 6 1 1 A 73 73 LYS CB C 73 32.320 32.154 0.166 1
1 898 . 6 1 1 A 73 73 LYS N N 73 118.351 120.006 -1.655 1
1 899 . 6 1 1 A 74 74 LYS H H 74 7.886 7.668 0.218 1
1 900 . 6 1 1 A 74 74 LYS HA H 74 4.133 4.096 0.037 1
1 909 . 6 1 1 A 74 74 LYS C C 74 178.306 179.154 -0.848 1
1 910 . 6 1 1 A 74 74 LYS CA C 74 58.954 59.783 -0.829 1
1 911 . 6 1 1 A 74 74 LYS CB C 74 31.974 32.175 -0.201 1
1 915 . 6 1 1 A 74 74 LYS N N 74 118.808 118.036 0.772 1
1 916 . 6 1 1 A 75 75 LYS H H 75 8.118 7.697 0.421 1
1 917 . 6 1 1 A 75 75 LYS HA H 75 4.228 4.214 0.014 1
1 926 . 6 1 1 A 75 75 LYS C C 75 178.795 178.969 -0.174 1
1 927 . 6 1 1 A 75 75 LYS CA C 75 57.158 58.840 -1.682 1
1 928 . 6 1 1 A 75 75 LYS CB C 75 31.382 31.917 -0.535 1
1 932 . 6 1 1 A 75 75 LYS N N 75 118.374 120.901 -2.527 1
1 933 . 6 1 1 A 76 76 LEU H H 76 8.778 8.478 0.300 1
1 934 . 6 1 1 A 76 76 LEU HA H 76 3.931 3.969 -0.038 1
1 944 . 6 1 1 A 76 76 LEU C C 76 180.241 179.313 0.928 1
1 945 . 6 1 1 A 76 76 LEU CA C 76 58.203 58.110 0.093 1
1 946 . 6 1 1 A 76 76 LEU CB C 76 42.015 41.480 0.535 1
1 950 . 6 1 1 A 76 76 LEU N N 76 121.253 119.684 1.569 1
1 951 . 6 1 1 A 77 77 GLU H H 77 7.951 7.995 -0.044 1
1 952 . 6 1 1 A 77 77 GLU HA H 77 4.227 3.970 0.257 1
1 957 . 6 1 1 A 77 77 GLU C C 77 178.403 178.739 -0.336 1
1 958 . 6 1 1 A 77 77 GLU CA C 77 58.892 59.572 -0.680 1
1 959 . 6 1 1 A 77 77 GLU CB C 77 28.925 29.226 -0.301 1
1 961 . 6 1 1 A 77 77 GLU N N 77 119.306 120.131 -0.825 1
1 962 . 6 1 1 A 78 78 GLU H H 78 8.595 8.524 0.071 1
1 963 . 6 1 1 A 78 78 GLU HA H 78 4.099 4.032 0.067 1
1 968 . 6 1 1 A 78 78 GLU C C 78 180.586 178.591 1.995 1
1 969 . 6 1 1 A 78 78 GLU CA C 78 58.850 59.285 -0.435 1
1 970 . 6 1 1 A 78 78 GLU CB C 78 29.878 29.158 0.720 1
1 972 . 6 1 1 A 78 78 GLU N N 78 120.814 119.467 1.347 1
1 973 . 6 1 1 A 79 79 SER H H 79 7.519 7.859 -0.340 1
1 974 . 6 1 1 A 79 79 SER HA H 79 4.592 4.511 0.081 1
1 977 . 6 1 1 A 79 79 SER C C 79 177.761 173.844 3.917 1
1 978 . 6 1 1 A 79 79 SER CA C 79 58.324 58.282 0.042 1
1 979 . 6 1 1 A 79 79 SER CB C 79 63.796 63.352 0.444 1
1 980 . 6 1 1 A 79 79 SER N N 79 110.823 112.453 -1.630 1
1 981 . 6 1 1 A 80 80 ASN H H 80 8.126 8.150 -0.024 1
1 982 . 6 1 1 A 80 80 ASN HA H 80 4.700 4.441 0.259 1
1 985 . 6 1 1 A 80 80 ASN C C 80 172.562 175.730 -3.168 1
1 986 . 6 1 1 A 80 80 ASN CA C 80 53.603 54.351 -0.748 1
1 987 . 6 1 1 A 80 80 ASN CB C 80 36.754 37.979 -1.225 1
1 988 . 6 1 1 A 80 80 ASN N N 80 117.027 118.262 -1.235 1
1 989 . 6 1 1 A 81 81 LEU H H 81 8.526 7.858 0.668 1
1 990 . 6 1 1 A 81 81 LEU HA H 81 4.767 4.212 0.555 1
1 1000 . 6 1 1 A 81 81 LEU C C 81 175.743 178.695 -2.952 1
1 1001 . 6 1 1 A 81 81 LEU CA C 81 54.008 57.023 -3.015 1
1 1002 . 6 1 1 A 81 81 LEU CB C 81 45.026 41.566 3.460 1
1 1006 . 6 1 1 A 81 81 LEU N N 81 114.910 120.568 -5.658 1
1 1007 . 6 1 1 A 82 82 THR H H 82 7.848 7.548 0.300 1
1 1008 . 6 1 1 A 82 82 THR HA H 82 4.117 3.965 0.152 1
1 1013 . 6 1 1 A 82 82 THR C C 82 176.676 176.402 0.274 1
1 1014 . 6 1 1 A 82 82 THR CA C 82 67.474 66.610 0.864 1
1 1015 . 6 1 1 A 82 82 THR CB C 82 68.235 68.971 -0.736 1
1 1017 . 6 1 1 A 82 82 THR N N 82 117.802 114.531 3.271 1
1 1018 . 6 1 1 A 83 83 GLU H H 83 8.335 7.765 0.570 1
1 1019 . 6 1 1 A 83 83 GLU HA H 83 3.915 4.004 -0.089 1
1 1024 . 6 1 1 A 83 83 GLU C C 83 175.177 178.429 -3.252 1
1 1025 . 6 1 1 A 83 83 GLU CA C 83 59.541 59.535 0.006 1
1 1026 . 6 1 1 A 83 83 GLU CB C 83 27.819 29.637 -1.818 1
1 1028 . 6 1 1 A 83 83 GLU N N 83 118.314 121.132 -2.818 1
1 1029 . 6 1 1 A 84 84 TYR H H 84 8.043 8.314 -0.271 1
1 1030 . 6 1 1 A 84 84 TYR HA H 84 4.111 4.192 -0.081 1
1 1037 . 6 1 1 A 84 84 TYR C C 84 179.081 178.020 1.061 1
1 1038 . 6 1 1 A 84 84 TYR CA C 84 60.788 60.944 -0.156 1
1 1039 . 6 1 1 A 84 84 TYR CB C 84 37.753 38.559 -0.806 1
1 1040 . 6 1 1 A 84 84 TYR N N 84 121.386 120.964 0.422 1
1 1041 . 6 1 1 A 85 85 MET H H 85 8.101 8.420 -0.319 1
1 1042 . 6 1 1 A 85 85 MET HA H 85 4.259 4.080 0.179 1
1 1047 . 6 1 1 A 85 85 MET C C 85 178.628 178.211 0.417 1
1 1048 . 6 1 1 A 85 85 MET CA C 85 55.244 57.942 -2.698 1
1 1049 . 6 1 1 A 85 85 MET CB C 85 29.597 32.423 -2.826 1
1 1051 . 6 1 1 A 85 85 MET N N 85 116.695 118.538 -1.843 1
1 1052 . 6 1 1 A 86 86 LYS H H 86 7.301 7.694 -0.393 1
1 1053 . 6 1 1 A 86 86 LYS HA H 86 3.937 4.127 -0.190 1
1 1062 . 6 1 1 A 86 86 LYS C C 86 175.934 176.513 -0.579 1
1 1063 . 6 1 1 A 86 86 LYS CA C 86 57.318 57.545 -0.227 1
1 1064 . 6 1 1 A 86 86 LYS CB C 86 32.956 32.327 0.629 1
1 1068 . 6 1 1 A 86 86 LYS N N 86 114.957 119.145 -4.188 1
1 1069 . 6 1 1 A 87 87 GLU H H 87 7.031 7.468 -0.437 1
1 1070 . 6 1 1 A 87 87 GLU HA H 87 4.185 4.125 0.060 1
1 1075 . 6 1 1 A 87 87 GLU C C 87 176.247 175.891 0.356 1
1 1076 . 6 1 1 A 87 87 GLU CA C 87 55.780 56.675 -0.895 1
1 1077 . 6 1 1 A 87 87 GLU CB C 87 29.358 30.010 -0.652 1
1 1079 . 6 1 1 A 87 87 GLU N N 87 119.315 120.866 -1.551 1
1 1080 . 6 1 1 A 88 88 LYS H H 88 8.466 8.770 -0.304 1
1 1081 . 6 1 1 A 88 88 LYS HA H 88 4.568 4.911 -0.343 1
1 1090 . 6 1 1 A 88 88 LYS C C 88 175.539 175.454 0.085 1
1 1091 . 6 1 1 A 88 88 LYS CA C 88 55.271 55.156 0.115 1
1 1092 . 6 1 1 A 88 88 LYS CB C 88 33.457 34.392 -0.935 1
1 1096 . 6 1 1 A 88 88 LYS N N 88 127.402 123.017 4.385 1
1 1097 . 6 1 1 A 89 89 ILE H H 89 8.752 8.688 0.064 1
1 1098 . 6 1 1 A 89 89 ILE HA H 89 4.249 4.525 -0.276 1
1 1108 . 6 1 1 A 89 89 ILE C C 89 176.471 175.832 0.639 1
1 1109 . 6 1 1 A 89 89 ILE CA C 89 59.014 59.877 -0.863 1
1 1110 . 6 1 1 A 89 89 ILE CB C 89 38.437 40.375 -1.938 1
1 1114 . 6 1 1 A 89 89 ILE N N 89 122.906 124.068 -1.162 1
1 1115 . 6 1 1 A 90 90 LYS H H 90 8.394 8.661 -0.267 1
1 1116 . 6 1 1 A 90 90 LYS HA H 90 4.284 3.745 0.539 1
1 1125 . 6 1 1 A 90 90 LYS C C 90 175.276 175.049 0.227 1
1 1126 . 6 1 1 A 90 90 LYS CA C 90 55.821 57.204 -1.383 1
1 1127 . 6 1 1 A 90 90 LYS CB C 90 31.860 29.413 2.447 1
1 1131 . 6 1 1 A 90 90 LYS N N 90 125.894 122.268 3.626 1
1 1132 . 6 1 1 A 91 91 ILE H H 91 8.141 7.625 0.516 1
1 1133 . 6 1 1 A 91 91 ILE HA H 91 4.165 4.380 -0.215 1
1 1143 . 6 1 1 A 91 91 ILE C C 91 175.506 174.451 1.055 1
1 1144 . 6 1 1 A 91 91 ILE CA C 91 59.516 60.464 -0.948 1
1 1145 . 6 1 1 A 91 91 ILE CB C 91 37.991 37.899 0.092 1
1 1149 . 6 1 1 A 91 91 ILE N N 91 124.934 118.947 5.987 1
1 1150 . 6 1 1 A 92 92 ARG H H 92 8.488 8.905 -0.417 1
1 1151 . 6 1 1 A 92 92 ARG HA H 92 4.318 5.035 -0.717 1
1 1158 . 6 1 1 A 92 92 ARG C C 92 175.508 174.499 1.009 1
1 1159 . 6 1 1 A 92 92 ARG CA C 92 55.708 54.075 1.633 1
1 1160 . 6 1 1 A 92 92 ARG CB C 92 30.394 34.123 -3.729 1
1 1163 . 6 1 1 A 92 92 ARG N N 92 126.033 129.605 -3.572 1
1 1164 . 6 1 1 A 93 93 MET H H 93 8.362 8.694 -0.332 1
1 1165 . 6 1 1 A 93 93 MET C C 93 175.367 174.576 0.791 1
1 1166 . 6 1 1 A 93 93 MET CA C 93 52.994 54.342 -1.348 1
1 1167 . 6 1 1 A 93 93 MET CB C 93 32.271 32.633 -0.362 1
1 1168 . 6 1 1 A 93 93 MET N N 93 123.282 125.099 -1.817 1
1 1169 . 6 1 1 A 94 94 PRO HA H 94 4.505 4.608 -0.103 1
1 1176 . 6 1 1 A 94 94 PRO CA C 94 62.884 62.247 0.637 1
1 1177 . 6 1 1 A 94 94 PRO CB C 94 31.885 33.231 -1.346 1
1 1180 . 6 1 1 A 95 95 THR H H 95 8.180 8.439 -0.259 1
1 1181 . 6 1 1 A 95 95 THR HA H 95 4.320 4.305 0.015 1
1 1186 . 6 1 1 A 95 95 THR C C 95 176.463 173.236 3.227 1
1 1187 . 6 1 1 A 95 95 THR CA C 95 61.391 62.889 -1.498 1
1 1188 . 6 1 1 A 95 95 THR CB C 95 69.583 68.764 0.819 1
1 1190 . 6 1 1 A 95 95 THR N N 95 114.511 115.523 -1.012 1
1 1 . 7 1 1 A 2 2 PRO HA H 2 4.279 4.368 -0.089 1
1 8 . 7 1 1 A 2 2 PRO CA C 2 61.757 63.604 -1.847 1
1 9 . 7 1 1 A 2 2 PRO CB C 2 32.181 32.182 -0.001 1
1 12 . 7 1 1 A 3 3 ALA H H 3 8.418 8.440 -0.022 1
1 13 . 7 1 1 A 3 3 ALA HA H 3 4.242 4.048 0.194 1
1 17 . 7 1 1 A 3 3 ALA C C 3 171.733 177.056 -5.323 1
1 18 . 7 1 1 A 3 3 ALA CA C 3 53.120 54.109 -0.989 1
1 19 . 7 1 1 A 3 3 ALA CB C 3 19.076 18.129 0.947 1
1 20 . 7 1 1 A 3 3 ALA N N 3 122.573 121.446 1.127 1
1 21 . 7 1 1 A 4 4 ILE H H 4 8.389 8.457 -0.068 1
1 22 . 7 1 1 A 4 4 ILE HA H 4 3.730 5.009 -1.279 1
1 32 . 7 1 1 A 4 4 ILE C C 4 177.391 174.749 2.642 1
1 33 . 7 1 1 A 4 4 ILE CA C 4 60.039 59.031 1.008 1
1 34 . 7 1 1 A 4 4 ILE CB C 4 34.720 40.568 -5.848 1
1 38 . 7 1 1 A 4 4 ILE N N 4 119.283 116.431 2.852 1
1 39 . 7 1 1 A 5 5 GLU H H 5 6.799 8.636 -1.837 1
1 40 . 7 1 1 A 5 5 GLU HA H 5 4.630 4.689 -0.059 1
1 45 . 7 1 1 A 5 5 GLU C C 5 173.009 174.397 -1.388 1
1 46 . 7 1 1 A 5 5 GLU CA C 5 53.474 55.182 -1.708 1
1 47 . 7 1 1 A 5 5 GLU CB C 5 32.091 33.627 -1.536 1
1 49 . 7 1 1 A 5 5 GLU N N 5 122.616 124.002 -1.386 1
1 50 . 7 1 1 A 6 6 VAL H H 6 8.899 8.434 0.465 1
1 51 . 7 1 1 A 6 6 VAL HA H 6 3.318 4.047 -0.729 1
1 59 . 7 1 1 A 6 6 VAL C C 6 174.172 176.901 -2.729 1
1 60 . 7 1 1 A 6 6 VAL CA C 6 65.581 63.404 2.177 1
1 61 . 7 1 1 A 6 6 VAL CB C 6 30.939 31.524 -0.585 1
1 64 . 7 1 1 A 6 6 VAL N N 6 122.205 123.230 -1.025 1
1 65 . 7 1 1 A 7 7 GLY H H 7 9.478 8.890 0.588 1
1 66 . 7 1 1 A 7 7 GLY HA2 H 7 5.016 4.003 1.013 1
1 67 . 7 1 1 A 7 7 GLY HA3 H 7 3.187 4.003 -0.816 1
1 68 . 7 1 1 A 7 7 GLY C C 7 176.688 174.079 2.609 1
1 69 . 7 1 1 A 7 7 GLY CA C 7 44.580 44.905 -0.325 1
1 70 . 7 1 1 A 7 7 GLY N N 7 115.742 117.747 -2.005 1
1 71 . 7 1 1 A 8 8 ARG H H 8 8.128 7.764 0.364 1
1 72 . 7 1 1 A 8 8 ARG HA H 8 4.226 4.424 -0.198 1
1 79 . 7 1 1 A 8 8 ARG C C 8 173.667 175.540 -1.873 1
1 80 . 7 1 1 A 8 8 ARG CA C 8 54.906 55.766 -0.860 1
1 81 . 7 1 1 A 8 8 ARG CB C 8 29.331 30.502 -1.171 1
1 84 . 7 1 1 A 8 8 ARG N N 8 120.180 121.778 -1.598 1
1 85 . 7 1 1 A 9 9 ILE H H 9 8.571 8.512 0.059 1
1 86 . 7 1 1 A 9 9 ILE HA H 9 4.965 4.437 0.528 1
1 96 . 7 1 1 A 9 9 ILE C C 9 175.361 175.926 -0.565 1
1 97 . 7 1 1 A 9 9 ILE CA C 9 61.241 62.290 -1.049 1
1 98 . 7 1 1 A 9 9 ILE CB C 9 36.712 37.755 -1.043 1
1 102 . 7 1 1 A 9 9 ILE N N 9 129.626 126.743 2.883 1
1 103 . 7 1 1 A 10 10 CYS H H 10 9.614 9.378 0.236 1
1 104 . 7 1 1 A 10 10 CYS HA H 10 5.471 5.238 0.233 1
1 107 . 7 1 1 A 10 10 CYS C C 10 177.158 172.653 4.505 1
1 108 . 7 1 1 A 10 10 CYS CA C 10 57.088 57.831 -0.743 1
1 109 . 7 1 1 A 10 10 CYS CB C 10 32.935 32.535 0.400 1
1 110 . 7 1 1 A 10 10 CYS N N 10 126.595 125.072 1.523 1
1 111 . 7 1 1 A 11 11 VAL H H 11 8.926 9.248 -0.322 1
1 112 . 7 1 1 A 11 11 VAL HA H 11 4.351 5.039 -0.688 1
1 120 . 7 1 1 A 11 11 VAL C C 11 172.010 174.221 -2.211 1
1 121 . 7 1 1 A 11 11 VAL CA C 11 60.857 59.514 1.343 1
1 122 . 7 1 1 A 11 11 VAL CB C 11 33.989 35.094 -1.105 1
1 125 . 7 1 1 A 11 11 VAL N N 11 119.765 121.578 -1.813 1
1 126 . 7 1 1 A 12 12 LYS H H 12 8.961 8.956 0.005 1
1 127 . 7 1 1 A 12 12 LYS HA H 12 4.510 4.387 0.123 1
1 136 . 7 1 1 A 12 12 LYS C C 12 175.625 176.757 -1.132 1
1 137 . 7 1 1 A 12 12 LYS CA C 12 56.422 55.502 0.920 1
1 138 . 7 1 1 A 12 12 LYS CB C 12 32.726 31.619 1.107 1
1 142 . 7 1 1 A 12 12 LYS N N 12 127.967 126.187 1.780 1
1 143 . 7 1 1 A 13 13 VAL H H 13 8.522 7.989 0.533 1
1 144 . 7 1 1 A 13 13 VAL HA H 13 4.518 3.934 0.584 1
1 152 . 7 1 1 A 13 13 VAL C C 13 176.284 175.102 1.182 1
1 153 . 7 1 1 A 13 13 VAL CA C 13 61.492 64.665 -3.173 1
1 154 . 7 1 1 A 13 13 VAL CB C 13 32.089 32.335 -0.246 1
1 157 . 7 1 1 A 13 13 VAL N N 13 118.593 126.367 -7.774 1
1 158 . 7 1 1 A 14 14 LYS H H 14 7.310 8.118 -0.808 1
1 159 . 7 1 1 A 14 14 LYS HA H 14 4.580 4.852 -0.272 1
1 168 . 7 1 1 A 14 14 LYS C C 14 174.043 176.556 -2.513 1
1 169 . 7 1 1 A 14 14 LYS CA C 14 54.090 55.028 -0.938 1
1 170 . 7 1 1 A 14 14 LYS CB C 14 36.489 35.947 0.542 1
1 174 . 7 1 1 A 14 14 LYS N N 14 117.809 121.032 -3.223 1
1 175 . 7 1 1 A 15 15 GLY H H 15 8.548 8.387 0.161 1
1 176 . 7 1 1 A 15 15 GLY HA2 H 15 4.264 3.907 0.357 1
1 177 . 7 1 1 A 15 15 GLY HA3 H 15 3.845 3.911 -0.066 1
1 178 . 7 1 1 A 15 15 GLY C C 15 175.166 173.593 1.573 1
1 179 . 7 1 1 A 15 15 GLY CA C 15 43.993 45.392 -1.399 1
1 180 . 7 1 1 A 15 15 GLY N N 15 108.732 114.132 -5.400 1
1 181 . 7 1 1 A 16 16 ARG H H 16 8.618 8.080 0.538 1
1 182 . 7 1 1 A 16 16 ARG HA H 16 4.082 4.503 -0.421 1
1 189 . 7 1 1 A 16 16 ARG C C 16 174.254 175.798 -1.544 1
1 190 . 7 1 1 A 16 16 ARG CA C 16 57.950 55.015 2.935 1
1 191 . 7 1 1 A 16 16 ARG CB C 16 29.776 30.878 -1.102 1
1 194 . 7 1 1 A 16 16 ARG N N 16 120.561 121.377 -0.816 1
1 195 . 7 1 1 A 17 17 GLU H H 17 8.935 8.249 0.686 1
1 196 . 7 1 1 A 17 17 GLU HA H 17 4.190 3.930 0.260 1
1 201 . 7 1 1 A 17 17 GLU C C 17 177.426 175.254 2.172 1
1 202 . 7 1 1 A 17 17 GLU CA C 17 55.386 57.362 -1.976 1
1 203 . 7 1 1 A 17 17 GLU CB C 17 27.412 28.535 -1.123 1
1 205 . 7 1 1 A 17 17 GLU N N 17 115.930 119.619 -3.689 1
1 206 . 7 1 1 A 18 18 ALA H H 18 7.267 7.860 -0.593 1
1 207 . 7 1 1 A 18 18 ALA HA H 18 3.737 4.094 -0.357 1
1 211 . 7 1 1 A 18 18 ALA C C 18 174.969 177.276 -2.307 1
1 212 . 7 1 1 A 18 18 ALA CA C 18 53.272 54.002 -0.730 1
1 213 . 7 1 1 A 18 18 ALA CB C 18 17.382 18.194 -0.812 1
1 214 . 7 1 1 A 18 18 ALA N N 18 120.485 119.439 1.046 1
1 215 . 7 1 1 A 19 19 GLY H H 19 9.424 8.707 0.717 1
1 216 . 7 1 1 A 19 19 GLY HA2 H 19 4.680 3.948 0.732 1
1 217 . 7 1 1 A 19 19 GLY HA3 H 19 3.451 3.965 -0.514 1
1 218 . 7 1 1 A 19 19 GLY C C 19 178.386 174.313 4.073 1
1 219 . 7 1 1 A 19 19 GLY CA C 19 44.905 45.267 -0.362 1
1 220 . 7 1 1 A 19 19 GLY N N 19 112.194 108.686 3.508 1
1 221 . 7 1 1 A 20 20 SER H H 20 8.162 7.941 0.221 1
1 222 . 7 1 1 A 20 20 SER HA H 20 4.861 4.340 0.521 1
1 225 . 7 1 1 A 20 20 SER C C 20 173.441 173.319 0.122 1
1 226 . 7 1 1 A 20 20 SER CA C 20 58.253 58.652 -0.399 1
1 227 . 7 1 1 A 20 20 SER CB C 20 64.447 62.358 2.089 1
1 228 . 7 1 1 A 20 20 SER N N 20 115.207 117.555 -2.348 1
1 229 . 7 1 1 A 21 21 LYS H H 21 8.836 8.481 0.355 1
1 230 . 7 1 1 A 21 21 LYS HA H 21 5.369 5.162 0.207 1
1 239 . 7 1 1 A 21 21 LYS C C 21 172.859 175.706 -2.847 1
1 240 . 7 1 1 A 21 21 LYS CA C 21 55.508 54.940 0.568 1
1 241 . 7 1 1 A 21 21 LYS CB C 21 34.795 34.634 0.161 1
1 245 . 7 1 1 A 21 21 LYS N N 21 121.269 125.614 -4.345 1
1 246 . 7 1 1 A 22 22 CYS H H 22 8.905 9.359 -0.454 1
1 247 . 7 1 1 A 22 22 CYS HA H 22 5.527 5.190 0.337 1
1 250 . 7 1 1 A 22 22 CYS C C 22 174.204 172.892 1.312 1
1 251 . 7 1 1 A 22 22 CYS CA C 22 55.584 57.621 -2.037 1
1 252 . 7 1 1 A 22 22 CYS CB C 22 30.941 32.511 -1.570 1
1 253 . 7 1 1 A 22 22 CYS N N 22 110.073 121.818 -11.745 1
1 254 . 7 1 1 A 23 23 VAL H H 23 9.325 8.883 0.442 1
1 255 . 7 1 1 A 23 23 VAL HA H 23 4.761 4.644 0.117 1
1 263 . 7 1 1 A 23 23 VAL C C 23 171.121 175.730 -4.609 1
1 264 . 7 1 1 A 23 23 VAL CA C 23 60.552 60.981 -0.429 1
1 265 . 7 1 1 A 23 23 VAL CB C 23 35.141 34.266 0.875 1
1 268 . 7 1 1 A 23 23 VAL N N 23 119.042 122.299 -3.257 1
1 269 . 7 1 1 A 24 24 ILE H H 24 8.239 8.759 -0.520 1
1 270 . 7 1 1 A 24 24 ILE HA H 24 4.239 4.107 0.132 1
1 280 . 7 1 1 A 24 24 ILE C C 24 175.805 176.886 -1.081 1
1 281 . 7 1 1 A 24 24 ILE CA C 24 62.552 61.931 0.621 1
1 282 . 7 1 1 A 24 24 ILE CB C 24 36.819 37.101 -0.282 1
1 286 . 7 1 1 A 24 24 ILE N N 24 124.259 127.292 -3.033 1
1 287 . 7 1 1 A 25 25 VAL H H 25 9.205 8.726 0.479 1
1 288 . 7 1 1 A 25 25 VAL HA H 25 4.689 4.425 0.264 1
1 296 . 7 1 1 A 25 25 VAL C C 25 175.650 175.300 0.350 1
1 297 . 7 1 1 A 25 25 VAL CA C 25 60.947 62.006 -1.059 1
1 298 . 7 1 1 A 25 25 VAL CB C 25 32.986 33.482 -0.496 1
1 301 . 7 1 1 A 25 25 VAL N N 25 121.805 122.006 -0.201 1
1 302 . 7 1 1 A 26 26 ASP H H 26 8.103 7.720 0.383 1
1 303 . 7 1 1 A 26 26 ASP HA H 26 4.771 5.042 -0.271 1
1 306 . 7 1 1 A 26 26 ASP C C 26 174.343 174.107 0.236 1
1 307 . 7 1 1 A 26 26 ASP CA C 26 53.671 53.301 0.370 1
1 308 . 7 1 1 A 26 26 ASP CB C 26 43.563 43.788 -0.225 1
1 309 . 7 1 1 A 26 26 ASP N N 26 118.459 120.946 -2.487 1
1 310 . 7 1 1 A 27 27 ILE H H 27 9.092 8.902 0.190 1
1 311 . 7 1 1 A 27 27 ILE HA H 27 4.273 4.216 0.057 1
1 321 . 7 1 1 A 27 27 ILE C C 27 173.976 175.286 -1.310 1
1 322 . 7 1 1 A 27 27 ILE CA C 27 60.306 61.317 -1.011 1
1 323 . 7 1 1 A 27 27 ILE CB C 27 38.339 36.957 1.382 1
1 327 . 7 1 1 A 27 27 ILE N N 27 124.375 127.040 -2.665 1
1 328 . 7 1 1 A 28 28 ILE H H 28 8.055 8.808 -0.753 1
1 329 . 7 1 1 A 28 28 ILE HA H 28 3.986 4.056 -0.070 1
1 339 . 7 1 1 A 28 28 ILE C C 28 174.733 176.164 -1.431 1
1 340 . 7 1 1 A 28 28 ILE CA C 28 62.414 64.066 -1.652 1
1 341 . 7 1 1 A 28 28 ILE CB C 28 37.450 38.630 -1.180 1
1 345 . 7 1 1 A 28 28 ILE N N 28 127.525 129.379 -1.854 1
1 346 . 7 1 1 A 29 29 ASP H H 29 8.438 8.696 -0.258 1
1 347 . 7 1 1 A 29 29 ASP HA H 29 4.522 5.075 -0.553 1
1 350 . 7 1 1 A 29 29 ASP C C 29 175.289 175.643 -0.354 1
1 351 . 7 1 1 A 29 29 ASP CA C 29 53.316 52.469 0.847 1
1 352 . 7 1 1 A 29 29 ASP CB C 29 39.450 44.028 -4.578 1
1 353 . 7 1 1 A 29 29 ASP N N 29 118.886 118.104 0.782 1
1 354 . 7 1 1 A 30 30 ASP H H 30 8.140 8.735 -0.595 1
1 355 . 7 1 1 A 30 30 ASP HA H 30 4.375 4.445 -0.070 1
1 358 . 7 1 1 A 30 30 ASP C C 30 174.332 176.638 -2.306 1
1 359 . 7 1 1 A 30 30 ASP CA C 30 56.171 56.261 -0.090 1
1 360 . 7 1 1 A 30 30 ASP CB C 30 40.302 41.226 -0.924 1
1 361 . 7 1 1 A 30 30 ASP N N 30 112.219 120.396 -8.177 1
1 362 . 7 1 1 A 31 31 ASN H H 31 8.866 8.218 0.648 1
1 363 . 7 1 1 A 31 31 ASN HA H 31 4.805 5.056 -0.251 1
1 366 . 7 1 1 A 31 31 ASN C C 31 175.926 175.146 0.780 1
1 367 . 7 1 1 A 31 31 ASN CA C 31 54.015 53.780 0.235 1
1 368 . 7 1 1 A 31 31 ASN CB C 31 42.366 40.874 1.492 1
1 369 . 7 1 1 A 31 31 ASN N N 31 114.650 116.350 -1.700 1
1 370 . 7 1 1 A 32 32 PHE H H 32 8.481 7.949 0.532 1
1 371 . 7 1 1 A 32 32 PHE HA H 32 5.279 4.875 0.404 1
1 376 . 7 1 1 A 32 32 PHE C C 32 173.451 174.781 -1.330 1
1 377 . 7 1 1 A 32 32 PHE CA C 32 57.629 57.426 0.203 1
1 378 . 7 1 1 A 32 32 PHE CB C 32 42.418 39.714 2.704 1
1 379 . 7 1 1 A 32 32 PHE N N 32 117.648 120.715 -3.067 1
1 380 . 7 1 1 A 33 33 VAL H H 33 8.680 8.018 0.662 1
1 381 . 7 1 1 A 33 33 VAL HA H 33 4.720 4.804 -0.084 1
1 389 . 7 1 1 A 33 33 VAL C C 33 174.458 172.741 1.717 1
1 390 . 7 1 1 A 33 33 VAL CA C 33 58.331 59.787 -1.456 1
1 391 . 7 1 1 A 33 33 VAL CB C 33 34.410 35.944 -1.534 1
1 394 . 7 1 1 A 33 33 VAL N N 33 110.814 125.982 -15.168 1
1 395 . 7 1 1 A 34 34 LEU H H 34 8.696 8.760 -0.064 1
1 396 . 7 1 1 A 34 34 LEU HA H 34 4.871 5.108 -0.237 1
1 406 . 7 1 1 A 34 34 LEU C C 34 172.716 175.495 -2.779 1
1 407 . 7 1 1 A 34 34 LEU CA C 34 53.776 53.463 0.313 1
1 408 . 7 1 1 A 34 34 LEU CB C 34 44.582 44.373 0.209 1
1 412 . 7 1 1 A 34 34 LEU N N 34 123.160 126.210 -3.050 1
1 413 . 7 1 1 A 35 35 VAL H H 35 8.460 8.617 -0.157 1
1 414 . 7 1 1 A 35 35 VAL HA H 35 5.674 5.128 0.546 1
1 422 . 7 1 1 A 35 35 VAL C C 35 176.009 174.281 1.728 1
1 423 . 7 1 1 A 35 35 VAL CA C 35 57.423 59.524 -2.101 1
1 424 . 7 1 1 A 35 35 VAL CB C 35 35.541 34.759 0.782 1
1 427 . 7 1 1 A 35 35 VAL N N 35 119.184 121.374 -2.190 1
1 428 . 7 1 1 A 36 36 THR H H 36 8.362 8.504 -0.142 1
1 429 . 7 1 1 A 36 36 THR HA H 36 4.535 4.826 -0.291 1
1 434 . 7 1 1 A 36 36 THR C C 36 173.498 172.137 1.361 1
1 435 . 7 1 1 A 36 36 THR CA C 36 59.643 59.890 -0.247 1
1 436 . 7 1 1 A 36 36 THR CB C 36 70.439 70.585 -0.146 1
1 438 . 7 1 1 A 36 36 THR N N 36 109.151 116.826 -7.675 1
1 439 . 7 1 1 A 37 37 GLY H H 37 7.571 8.620 -1.049 1
1 440 . 7 1 1 A 37 37 GLY C C 37 172.460 172.474 -0.014 1
1 441 . 7 1 1 A 37 37 GLY CA C 37 51.421 44.665 6.756 1
1 442 . 7 1 1 A 37 37 GLY N N 37 115.474 111.235 4.239 1
1 443 . 7 1 1 A 38 38 PRO HA H 38 5.235 4.865 0.370 1
1 450 . 7 1 1 A 38 38 PRO CA C 38 60.459 63.232 -2.773 1
1 451 . 7 1 1 A 38 38 PRO CB C 38 35.517 32.026 3.491 1
1 454 . 7 1 1 A 39 39 LYS H H 39 9.463 9.018 0.445 1
1 455 . 7 1 1 A 39 39 LYS HA H 39 3.545 4.204 -0.659 1
1 464 . 7 1 1 A 39 39 LYS C C 39 179.019 177.003 2.016 1
1 465 . 7 1 1 A 39 39 LYS CA C 39 60.344 57.963 2.381 1
1 466 . 7 1 1 A 39 39 LYS CB C 39 31.826 32.164 -0.338 1
1 470 . 7 1 1 A 39 39 LYS N N 39 127.869 122.895 4.974 1
1 471 . 7 1 1 A 40 40 ASP H H 40 9.035 8.089 0.946 1
1 472 . 7 1 1 A 40 40 ASP HA H 40 4.375 4.620 -0.245 1
1 475 . 7 1 1 A 40 40 ASP C C 40 177.615 177.522 0.093 1
1 476 . 7 1 1 A 40 40 ASP CA C 40 55.080 55.366 -0.286 1
1 477 . 7 1 1 A 40 40 ASP CB C 40 39.209 41.469 -2.260 1
1 478 . 7 1 1 A 40 40 ASP N N 40 115.744 118.731 -2.987 1
1 479 . 7 1 1 A 41 41 ILE H H 41 7.739 7.523 0.216 1
1 480 . 7 1 1 A 41 41 ILE HA H 41 4.218 4.044 0.174 1
1 490 . 7 1 1 A 41 41 ILE C C 41 174.826 176.849 -2.023 1
1 491 . 7 1 1 A 41 41 ILE CA C 41 61.664 63.193 -1.529 1
1 492 . 7 1 1 A 41 41 ILE CB C 41 37.453 38.956 -1.503 1
1 496 . 7 1 1 A 41 41 ILE N N 41 116.447 117.288 -0.841 1
1 497 . 7 1 1 A 42 42 THR H H 42 7.766 8.177 -0.411 1
1 498 . 7 1 1 A 42 42 THR HA H 42 4.734 4.413 0.321 1
1 503 . 7 1 1 A 42 42 THR C C 42 175.827 174.904 0.923 1
1 504 . 7 1 1 A 42 42 THR CA C 42 60.110 63.126 -3.016 1
1 505 . 7 1 1 A 42 42 THR CB C 42 71.791 70.629 1.162 1
1 507 . 7 1 1 A 42 42 THR N N 42 104.054 112.750 -8.696 1
1 508 . 7 1 1 A 43 43 GLY H H 43 7.844 8.220 -0.376 1
1 509 . 7 1 1 A 43 43 GLY HA2 H 43 4.461 3.951 0.510 1
1 510 . 7 1 1 A 43 43 GLY HA3 H 43 3.836 3.953 -0.117 1
1 511 . 7 1 1 A 43 43 GLY C C 43 175.208 174.532 0.676 1
1 512 . 7 1 1 A 43 43 GLY CA C 43 44.826 46.792 -1.966 1
1 513 . 7 1 1 A 43 43 GLY N N 43 109.006 109.681 -0.675 1
1 514 . 7 1 1 A 44 44 VAL H H 44 7.289 8.057 -0.768 1
1 515 . 7 1 1 A 44 44 VAL HA H 44 3.945 4.234 -0.289 1
1 523 . 7 1 1 A 44 44 VAL C C 44 173.149 175.171 -2.022 1
1 524 . 7 1 1 A 44 44 VAL CA C 44 62.902 61.466 1.436 1
1 525 . 7 1 1 A 44 44 VAL CB C 44 31.715 32.877 -1.162 1
1 528 . 7 1 1 A 44 44 VAL N N 44 120.903 119.893 1.010 1
1 529 . 7 1 1 A 45 45 LYS H H 45 8.308 8.507 -0.199 1
1 530 . 7 1 1 A 45 45 LYS HA H 45 4.190 4.274 -0.084 1
1 539 . 7 1 1 A 45 45 LYS C C 45 175.177 176.408 -1.231 1
1 540 . 7 1 1 A 45 45 LYS CA C 45 56.355 56.573 -0.218 1
1 541 . 7 1 1 A 45 45 LYS CB C 45 33.385 32.987 0.398 1
1 545 . 7 1 1 A 45 45 LYS N N 45 128.406 127.781 0.625 1
1 546 . 7 1 1 A 46 46 ARG H H 46 8.080 8.503 -0.423 1
1 547 . 7 1 1 A 46 46 ARG HA H 46 5.720 4.248 1.472 1
1 554 . 7 1 1 A 46 46 ARG C C 46 173.780 175.273 -1.493 1
1 555 . 7 1 1 A 46 46 ARG CA C 46 54.888 56.313 -1.425 1
1 556 . 7 1 1 A 46 46 ARG CB C 46 29.630 30.416 -0.786 1
1 559 . 7 1 1 A 46 46 ARG N N 46 120.129 121.940 -1.811 1
1 560 . 7 1 1 A 47 47 ARG H H 47 8.452 8.090 0.362 1
1 561 . 7 1 1 A 47 47 ARG HA H 47 4.732 4.782 -0.050 1
1 568 . 7 1 1 A 47 47 ARG C C 47 176.138 174.087 2.051 1
1 569 . 7 1 1 A 47 47 ARG CA C 47 54.319 54.834 -0.515 1
1 570 . 7 1 1 A 47 47 ARG CB C 47 33.746 34.136 -0.390 1
1 573 . 7 1 1 A 47 47 ARG N N 47 126.780 123.319 3.461 1
1 574 . 7 1 1 A 48 48 ARG H H 48 8.546 8.496 0.050 1
1 575 . 7 1 1 A 48 48 ARG HA H 48 5.111 4.664 0.447 1
1 582 . 7 1 1 A 48 48 ARG C C 48 174.339 175.130 -0.791 1
1 583 . 7 1 1 A 48 48 ARG CA C 48 55.524 55.726 -0.202 1
1 584 . 7 1 1 A 48 48 ARG CB C 48 31.132 30.904 0.228 1
1 587 . 7 1 1 A 48 48 ARG N N 48 121.931 125.417 -3.486 1
1 588 . 7 1 1 A 49 49 VAL H H 49 9.485 8.476 1.009 1
1 589 . 7 1 1 A 49 49 VAL HA H 49 4.651 4.485 0.166 1
1 597 . 7 1 1 A 49 49 VAL C C 49 176.112 174.377 1.735 1
1 598 . 7 1 1 A 49 49 VAL CA C 49 60.040 60.521 -0.481 1
1 599 . 7 1 1 A 49 49 VAL CB C 49 36.427 35.313 1.114 1
1 602 . 7 1 1 A 49 49 VAL N N 49 122.891 123.688 -0.797 1
1 603 . 7 1 1 A 50 50 ASN H H 50 8.569 8.745 -0.176 1
1 604 . 7 1 1 A 50 50 ASN HA H 50 4.213 5.019 -0.806 1
1 607 . 7 1 1 A 50 50 ASN C C 50 173.258 175.758 -2.500 1
1 608 . 7 1 1 A 50 50 ASN CA C 50 52.732 53.380 -0.648 1
1 609 . 7 1 1 A 50 50 ASN CB C 50 38.173 38.987 -0.814 1
1 610 . 7 1 1 A 50 50 ASN N N 50 125.736 123.272 2.464 1
1 611 . 7 1 1 A 51 51 ILE H H 51 8.601 9.123 -0.522 1
1 612 . 7 1 1 A 51 51 ILE HA H 51 3.632 3.982 -0.350 1
1 622 . 7 1 1 A 51 51 ILE C C 51 176.785 178.177 -1.392 1
1 623 . 7 1 1 A 51 51 ILE CA C 51 65.046 63.340 1.706 1
1 624 . 7 1 1 A 51 51 ILE CB C 51 38.532 37.421 1.111 1
1 628 . 7 1 1 A 51 51 ILE N N 51 126.454 122.804 3.650 1
1 629 . 7 1 1 A 52 52 LEU H H 52 8.448 7.290 1.158 1
1 630 . 7 1 1 A 52 52 LEU HA H 52 4.290 4.052 0.238 1
1 640 . 7 1 1 A 52 52 LEU C C 52 176.765 177.522 -0.757 1
1 641 . 7 1 1 A 52 52 LEU CA C 52 55.880 57.115 -1.235 1
1 642 . 7 1 1 A 52 52 LEU CB C 52 40.983 41.325 -0.342 1
1 646 . 7 1 1 A 52 52 LEU N N 52 118.365 123.149 -4.784 1
1 647 . 7 1 1 A 53 53 HIS H H 53 8.358 7.624 0.734 1
1 648 . 7 1 1 A 53 53 HIS HA H 53 4.621 4.829 -0.208 1
1 651 . 7 1 1 A 53 53 HIS C C 53 178.018 174.063 3.955 1
1 652 . 7 1 1 A 53 53 HIS CA C 53 53.996 55.865 -1.869 1
1 653 . 7 1 1 A 53 53 HIS CB C 53 30.306 30.675 -0.369 1
1 654 . 7 1 1 A 53 53 HIS N N 53 116.672 115.118 1.554 1
1 655 . 7 1 1 A 54 54 LEU H H 54 7.693 7.332 0.361 1
1 656 . 7 1 1 A 54 54 LEU HA H 54 5.222 4.885 0.337 1
1 666 . 7 1 1 A 54 54 LEU C C 54 173.609 174.171 -0.562 1
1 667 . 7 1 1 A 54 54 LEU CA C 54 52.932 54.254 -1.322 1
1 668 . 7 1 1 A 54 54 LEU CB C 54 45.943 45.854 0.089 1
1 672 . 7 1 1 A 54 54 LEU N N 54 119.311 120.332 -1.021 1
1 673 . 7 1 1 A 55 55 GLU H H 55 9.073 8.576 0.497 1
1 674 . 7 1 1 A 55 55 GLU C C 55 175.102 174.042 1.060 1
1 675 . 7 1 1 A 55 55 GLU CA C 55 52.073 52.873 -0.800 1
1 676 . 7 1 1 A 55 55 GLU CB C 55 31.958 31.838 0.120 1
1 677 . 7 1 1 A 55 55 GLU N N 55 120.139 125.085 -4.946 1
1 678 . 7 1 1 A 56 56 PRO HA H 56 4.903 4.647 0.256 1
1 685 . 7 1 1 A 56 56 PRO CA C 56 63.121 62.444 0.677 1
1 686 . 7 1 1 A 56 56 PRO CB C 56 32.274 32.420 -0.146 1
1 689 . 7 1 1 A 57 57 THR H H 57 8.502 8.884 -0.382 1
1 690 . 7 1 1 A 57 57 THR HA H 57 4.932 4.700 0.232 1
1 695 . 7 1 1 A 57 57 THR C C 57 175.894 175.717 0.177 1
1 696 . 7 1 1 A 57 57 THR CA C 57 60.602 61.180 -0.578 1
1 697 . 7 1 1 A 57 57 THR CB C 57 71.821 70.074 1.747 1
1 699 . 7 1 1 A 57 57 THR N N 57 113.388 114.840 -1.452 1
1 700 . 7 1 1 A 58 58 ASP H H 58 8.605 8.778 -0.173 1
1 701 . 7 1 1 A 58 58 ASP HA H 58 4.445 4.363 0.082 1
1 704 . 7 1 1 A 58 58 ASP C C 58 173.673 176.377 -2.704 1
1 705 . 7 1 1 A 58 58 ASP CA C 58 53.743 57.641 -3.898 1
1 706 . 7 1 1 A 58 58 ASP CB C 58 39.622 40.881 -1.259 1
1 707 . 7 1 1 A 58 58 ASP N N 58 115.340 122.483 -7.143 1
1 708 . 7 1 1 A 59 59 LYS H H 59 8.544 7.716 0.828 1
1 709 . 7 1 1 A 59 59 LYS HA H 59 4.646 4.835 -0.189 1
1 718 . 7 1 1 A 59 59 LYS C C 59 174.972 174.605 0.367 1
1 719 . 7 1 1 A 59 59 LYS CA C 59 54.336 54.970 -0.634 1
1 720 . 7 1 1 A 59 59 LYS CB C 59 34.626 34.937 -0.311 1
1 724 . 7 1 1 A 59 59 LYS N N 59 119.488 114.630 4.858 1
1 725 . 7 1 1 A 60 60 LYS H H 60 8.227 8.662 -0.435 1
1 726 . 7 1 1 A 60 60 LYS HA H 60 4.999 5.082 -0.083 1
1 735 . 7 1 1 A 60 60 LYS C C 60 174.256 176.526 -2.270 1
1 736 . 7 1 1 A 60 60 LYS CA C 60 54.465 54.605 -0.140 1
1 737 . 7 1 1 A 60 60 LYS CB C 60 36.153 35.634 0.519 1
1 741 . 7 1 1 A 60 60 LYS N N 60 121.112 120.567 0.545 1
1 742 . 7 1 1 A 61 61 ILE H H 61 8.527 8.485 0.042 1
1 743 . 7 1 1 A 61 61 ILE HA H 61 4.724 4.598 0.126 1
1 753 . 7 1 1 A 61 61 ILE C C 61 174.330 174.313 0.017 1
1 754 . 7 1 1 A 61 61 ILE CA C 61 58.831 60.140 -1.309 1
1 755 . 7 1 1 A 61 61 ILE CB C 61 41.357 39.135 2.222 1
1 759 . 7 1 1 A 61 61 ILE N N 61 116.027 120.955 -4.928 1
1 760 . 7 1 1 A 62 62 ASP H H 62 8.513 8.732 -0.219 1
1 761 . 7 1 1 A 62 62 ASP HA H 62 4.732 4.841 -0.109 1
1 764 . 7 1 1 A 62 62 ASP C C 62 174.224 175.370 -1.146 1
1 765 . 7 1 1 A 62 62 ASP CA C 62 53.163 53.189 -0.026 1
1 766 . 7 1 1 A 62 62 ASP CB C 62 39.686 41.037 -1.351 1
1 767 . 7 1 1 A 62 62 ASP N N 62 121.643 124.428 -2.785 1
1 768 . 7 1 1 A 63 63 ILE H H 63 7.389 8.298 -0.909 1
1 769 . 7 1 1 A 63 63 ILE HA H 63 4.641 5.128 -0.487 1
1 779 . 7 1 1 A 63 63 ILE C C 63 174.484 175.000 -0.516 1
1 780 . 7 1 1 A 63 63 ILE CA C 63 58.244 58.807 -0.563 1
1 781 . 7 1 1 A 63 63 ILE CB C 63 41.811 41.369 0.442 1
1 785 . 7 1 1 A 63 63 ILE N N 63 114.509 121.422 -6.913 1
1 786 . 7 1 1 A 64 64 GLN H H 64 8.529 8.281 0.248 1
1 787 . 7 1 1 A 64 64 GLN HA H 64 4.390 4.703 -0.313 1
1 792 . 7 1 1 A 64 64 GLN C C 64 174.409 175.257 -0.848 1
1 793 . 7 1 1 A 64 64 GLN CA C 64 53.860 54.957 -1.097 1
1 794 . 7 1 1 A 64 64 GLN CB C 64 30.086 30.199 -0.113 1
1 796 . 7 1 1 A 64 64 GLN N N 64 119.145 120.858 -1.713 1
1 797 . 7 1 1 A 65 65 LYS H H 65 8.323 8.665 -0.342 1
1 798 . 7 1 1 A 65 65 LYS HA H 65 4.132 3.895 0.237 1
1 807 . 7 1 1 A 65 65 LYS C C 65 174.920 177.615 -2.695 1
1 808 . 7 1 1 A 65 65 LYS CA C 65 57.603 58.237 -0.634 1
1 809 . 7 1 1 A 65 65 LYS CB C 65 32.341 31.962 0.379 1
1 813 . 7 1 1 A 65 65 LYS N N 65 119.780 124.370 -4.590 1
1 814 . 7 1 1 A 66 66 GLY H H 66 9.313 8.871 0.442 1
1 815 . 7 1 1 A 66 66 GLY HA2 H 66 4.093 3.929 0.164 1
1 816 . 7 1 1 A 66 66 GLY HA3 H 66 3.297 3.930 -0.633 1
1 817 . 7 1 1 A 66 66 GLY C C 66 177.892 174.623 3.269 1
1 818 . 7 1 1 A 66 66 GLY CA C 66 44.953 46.503 -1.550 1
1 819 . 7 1 1 A 66 66 GLY N N 66 112.449 114.615 -2.166 1
1 820 . 7 1 1 A 67 67 ALA H H 67 7.545 8.010 -0.465 1
1 821 . 7 1 1 A 67 67 ALA HA H 67 4.081 4.664 -0.583 1
1 825 . 7 1 1 A 67 67 ALA C C 67 173.517 178.026 -4.509 1
1 826 . 7 1 1 A 67 67 ALA CA C 67 52.802 51.094 1.708 1
1 827 . 7 1 1 A 67 67 ALA CB C 67 20.424 20.739 -0.315 1
1 828 . 7 1 1 A 67 67 ALA N N 67 121.516 123.696 -2.180 1
1 829 . 7 1 1 A 68 68 SER H H 68 8.904 8.784 0.120 1
1 830 . 7 1 1 A 68 68 SER HA H 68 4.261 4.899 -0.638 1
1 833 . 7 1 1 A 68 68 SER C C 68 177.019 175.148 1.871 1
1 834 . 7 1 1 A 68 68 SER CA C 68 57.321 56.715 0.606 1
1 835 . 7 1 1 A 68 68 SER CB C 68 65.064 66.185 -1.121 1
1 836 . 7 1 1 A 68 68 SER N N 68 119.470 113.839 5.631 1
1 837 . 7 1 1 A 69 69 ASP H H 69 9.379 8.991 0.388 1
1 838 . 7 1 1 A 69 69 ASP HA H 69 4.184 4.265 -0.081 1
1 841 . 7 1 1 A 69 69 ASP C C 69 173.831 177.966 -4.135 1
1 842 . 7 1 1 A 69 69 ASP CA C 69 57.843 57.825 0.018 1
1 843 . 7 1 1 A 69 69 ASP CB C 69 39.367 40.613 -1.246 1
1 844 . 7 1 1 A 69 69 ASP N N 69 122.205 121.598 0.607 1
1 845 . 7 1 1 A 70 70 GLU H H 70 8.454 8.132 0.322 1
1 846 . 7 1 1 A 70 70 GLU HA H 70 3.966 4.060 -0.094 1
1 851 . 7 1 1 A 70 70 GLU C C 70 177.979 179.198 -1.219 1
1 852 . 7 1 1 A 70 70 GLU CA C 70 59.987 59.497 0.490 1
1 853 . 7 1 1 A 70 70 GLU CB C 70 28.804 29.536 -0.732 1
1 855 . 7 1 1 A 70 70 GLU N N 70 118.426 118.964 -0.538 1
1 856 . 7 1 1 A 71 71 GLU H H 71 7.835 7.682 0.153 1
1 857 . 7 1 1 A 71 71 GLU HA H 71 4.050 4.065 -0.015 1
1 862 . 7 1 1 A 71 71 GLU C C 71 178.486 179.339 -0.853 1
1 863 . 7 1 1 A 71 71 GLU CA C 71 58.998 59.114 -0.116 1
1 864 . 7 1 1 A 71 71 GLU CB C 71 29.068 29.542 -0.474 1
1 866 . 7 1 1 A 71 71 GLU N N 71 122.166 120.750 1.416 1
1 867 . 7 1 1 A 72 72 VAL H H 72 8.387 8.171 0.216 1
1 868 . 7 1 1 A 72 72 VAL HA H 72 3.295 3.544 -0.249 1
1 876 . 7 1 1 A 72 72 VAL C C 72 178.603 177.882 0.721 1
1 877 . 7 1 1 A 72 72 VAL CA C 72 66.989 66.919 0.070 1
1 878 . 7 1 1 A 72 72 VAL CB C 72 31.242 31.481 -0.239 1
1 881 . 7 1 1 A 72 72 VAL N N 72 118.871 119.174 -0.303 1
1 882 . 7 1 1 A 73 73 LYS H H 73 8.619 8.160 0.459 1
1 883 . 7 1 1 A 73 73 LYS HA H 73 3.734 4.072 -0.338 1
1 892 . 7 1 1 A 73 73 LYS C C 73 177.118 178.793 -1.675 1
1 893 . 7 1 1 A 73 73 LYS CA C 73 60.695 59.058 1.637 1
1 894 . 7 1 1 A 73 73 LYS CB C 73 32.320 32.444 -0.124 1
1 898 . 7 1 1 A 73 73 LYS N N 73 118.351 119.766 -1.415 1
1 899 . 7 1 1 A 74 74 LYS H H 74 7.886 7.915 -0.029 1
1 900 . 7 1 1 A 74 74 LYS HA H 74 4.133 4.087 0.046 1
1 909 . 7 1 1 A 74 74 LYS C C 74 178.306 179.226 -0.920 1
1 910 . 7 1 1 A 74 74 LYS CA C 74 58.954 59.706 -0.752 1
1 911 . 7 1 1 A 74 74 LYS CB C 74 31.974 31.963 0.011 1
1 915 . 7 1 1 A 74 74 LYS N N 74 118.808 118.090 0.718 1
1 916 . 7 1 1 A 75 75 LYS H H 75 8.118 7.946 0.172 1
1 917 . 7 1 1 A 75 75 LYS HA H 75 4.228 4.168 0.060 1
1 926 . 7 1 1 A 75 75 LYS C C 75 178.795 179.514 -0.719 1
1 927 . 7 1 1 A 75 75 LYS CA C 75 57.158 59.291 -2.133 1
1 928 . 7 1 1 A 75 75 LYS CB C 75 31.382 32.403 -1.021 1
1 932 . 7 1 1 A 75 75 LYS N N 75 118.374 120.673 -2.299 1
1 933 . 7 1 1 A 76 76 LEU H H 76 8.778 8.710 0.068 1
1 934 . 7 1 1 A 76 76 LEU HA H 76 3.931 3.992 -0.061 1
1 944 . 7 1 1 A 76 76 LEU C C 76 180.241 179.303 0.938 1
1 945 . 7 1 1 A 76 76 LEU CA C 76 58.203 57.937 0.266 1
1 946 . 7 1 1 A 76 76 LEU CB C 76 42.015 40.728 1.287 1
1 950 . 7 1 1 A 76 76 LEU N N 76 121.253 119.247 2.006 1
1 951 . 7 1 1 A 77 77 GLU H H 77 7.951 8.221 -0.270 1
1 952 . 7 1 1 A 77 77 GLU HA H 77 4.227 3.997 0.230 1
1 957 . 7 1 1 A 77 77 GLU C C 77 178.403 178.708 -0.305 1
1 958 . 7 1 1 A 77 77 GLU CA C 77 58.892 59.133 -0.241 1
1 959 . 7 1 1 A 77 77 GLU CB C 77 28.925 29.273 -0.348 1
1 961 . 7 1 1 A 77 77 GLU N N 77 119.306 120.703 -1.397 1
1 962 . 7 1 1 A 78 78 GLU H H 78 8.595 8.640 -0.045 1
1 963 . 7 1 1 A 78 78 GLU HA H 78 4.099 4.135 -0.036 1
1 968 . 7 1 1 A 78 78 GLU C C 78 180.586 178.770 1.816 1
1 969 . 7 1 1 A 78 78 GLU CA C 78 58.850 59.607 -0.757 1
1 970 . 7 1 1 A 78 78 GLU CB C 78 29.878 29.214 0.664 1
1 972 . 7 1 1 A 78 78 GLU N N 78 120.814 120.200 0.614 1
1 973 . 7 1 1 A 79 79 SER H H 79 7.519 8.160 -0.641 1
1 974 . 7 1 1 A 79 79 SER HA H 79 4.592 4.482 0.110 1
1 977 . 7 1 1 A 79 79 SER C C 79 177.761 173.963 3.798 1
1 978 . 7 1 1 A 79 79 SER CA C 79 58.324 58.444 -0.120 1
1 979 . 7 1 1 A 79 79 SER CB C 79 63.796 63.324 0.472 1
1 980 . 7 1 1 A 79 79 SER N N 79 110.823 114.904 -4.081 1
1 981 . 7 1 1 A 80 80 ASN H H 80 8.126 8.174 -0.048 1
1 982 . 7 1 1 A 80 80 ASN HA H 80 4.700 4.421 0.279 1
1 985 . 7 1 1 A 80 80 ASN C C 80 172.562 175.698 -3.136 1
1 986 . 7 1 1 A 80 80 ASN CA C 80 53.603 54.468 -0.865 1
1 987 . 7 1 1 A 80 80 ASN CB C 80 36.754 38.198 -1.444 1
1 988 . 7 1 1 A 80 80 ASN N N 80 117.027 117.976 -0.949 1
1 989 . 7 1 1 A 81 81 LEU H H 81 8.526 7.580 0.946 1
1 990 . 7 1 1 A 81 81 LEU HA H 81 4.767 4.235 0.532 1
1 1000 . 7 1 1 A 81 81 LEU C C 81 175.743 178.061 -2.318 1
1 1001 . 7 1 1 A 81 81 LEU CA C 81 54.008 56.783 -2.775 1
1 1002 . 7 1 1 A 81 81 LEU CB C 81 45.026 42.224 2.802 1
1 1006 . 7 1 1 A 81 81 LEU N N 81 114.910 120.488 -5.578 1
1 1007 . 7 1 1 A 82 82 THR H H 82 7.848 7.993 -0.145 1
1 1008 . 7 1 1 A 82 82 THR HA H 82 4.117 3.904 0.213 1
1 1013 . 7 1 1 A 82 82 THR C C 82 176.676 176.686 -0.010 1
1 1014 . 7 1 1 A 82 82 THR CA C 82 67.474 65.507 1.967 1
1 1015 . 7 1 1 A 82 82 THR CB C 82 68.235 68.956 -0.721 1
1 1017 . 7 1 1 A 82 82 THR N N 82 117.802 113.448 4.354 1
1 1018 . 7 1 1 A 83 83 GLU H H 83 8.335 8.135 0.200 1
1 1019 . 7 1 1 A 83 83 GLU HA H 83 3.915 3.985 -0.070 1
1 1024 . 7 1 1 A 83 83 GLU C C 83 175.177 178.274 -3.097 1
1 1025 . 7 1 1 A 83 83 GLU CA C 83 59.541 59.606 -0.065 1
1 1026 . 7 1 1 A 83 83 GLU CB C 83 27.819 29.583 -1.764 1
1 1028 . 7 1 1 A 83 83 GLU N N 83 118.314 120.858 -2.544 1
1 1029 . 7 1 1 A 84 84 TYR H H 84 8.043 8.324 -0.281 1
1 1030 . 7 1 1 A 84 84 TYR HA H 84 4.111 4.185 -0.074 1
1 1037 . 7 1 1 A 84 84 TYR C C 84 179.081 177.781 1.300 1
1 1038 . 7 1 1 A 84 84 TYR CA C 84 60.788 60.743 0.045 1
1 1039 . 7 1 1 A 84 84 TYR CB C 84 37.753 38.891 -1.138 1
1 1040 . 7 1 1 A 84 84 TYR N N 84 121.386 120.965 0.421 1
1 1041 . 7 1 1 A 85 85 MET H H 85 8.101 7.854 0.247 1
1 1042 . 7 1 1 A 85 85 MET HA H 85 4.259 4.099 0.160 1
1 1047 . 7 1 1 A 85 85 MET C C 85 178.628 178.278 0.350 1
1 1048 . 7 1 1 A 85 85 MET CA C 85 55.244 58.102 -2.858 1
1 1049 . 7 1 1 A 85 85 MET CB C 85 29.597 32.124 -2.527 1
1 1051 . 7 1 1 A 85 85 MET N N 85 116.695 118.872 -2.177 1
1 1052 . 7 1 1 A 86 86 LYS H H 86 7.301 7.675 -0.374 1
1 1053 . 7 1 1 A 86 86 LYS HA H 86 3.937 4.244 -0.307 1
1 1062 . 7 1 1 A 86 86 LYS C C 86 175.934 176.945 -1.011 1
1 1063 . 7 1 1 A 86 86 LYS CA C 86 57.318 59.238 -1.920 1
1 1064 . 7 1 1 A 86 86 LYS CB C 86 32.956 32.900 0.056 1
1 1068 . 7 1 1 A 86 86 LYS N N 86 114.957 117.296 -2.339 1
1 1069 . 7 1 1 A 87 87 GLU H H 87 7.031 7.827 -0.796 1
1 1070 . 7 1 1 A 87 87 GLU HA H 87 4.185 3.880 0.305 1
1 1075 . 7 1 1 A 87 87 GLU C C 87 176.247 177.142 -0.895 1
1 1076 . 7 1 1 A 87 87 GLU CA C 87 55.780 57.856 -2.076 1
1 1077 . 7 1 1 A 87 87 GLU CB C 87 29.358 29.485 -0.127 1
1 1079 . 7 1 1 A 87 87 GLU N N 87 119.315 119.629 -0.314 1
1 1080 . 7 1 1 A 88 88 LYS H H 88 8.466 8.878 -0.412 1
1 1081 . 7 1 1 A 88 88 LYS HA H 88 4.568 3.861 0.707 1
1 1090 . 7 1 1 A 88 88 LYS C C 88 175.539 175.263 0.276 1
1 1091 . 7 1 1 A 88 88 LYS CA C 88 55.271 57.096 -1.825 1
1 1092 . 7 1 1 A 88 88 LYS CB C 88 33.457 30.888 2.569 1
1 1096 . 7 1 1 A 88 88 LYS N N 88 127.402 125.162 2.240 1
1 1097 . 7 1 1 A 89 89 ILE H H 89 8.752 7.825 0.927 1
1 1098 . 7 1 1 A 89 89 ILE HA H 89 4.249 4.839 -0.590 1
1 1108 . 7 1 1 A 89 89 ILE C C 89 176.471 174.334 2.137 1
1 1109 . 7 1 1 A 89 89 ILE CA C 89 59.014 58.632 0.382 1
1 1110 . 7 1 1 A 89 89 ILE CB C 89 38.437 41.187 -2.750 1
1 1114 . 7 1 1 A 89 89 ILE N N 89 122.906 124.052 -1.146 1
1 1115 . 7 1 1 A 90 90 LYS H H 90 8.394 8.141 0.253 1
1 1116 . 7 1 1 A 90 90 LYS HA H 90 4.284 4.141 0.143 1
1 1125 . 7 1 1 A 90 90 LYS C C 90 175.276 176.178 -0.902 1
1 1126 . 7 1 1 A 90 90 LYS CA C 90 55.821 56.486 -0.665 1
1 1127 . 7 1 1 A 90 90 LYS CB C 90 31.860 32.591 -0.731 1
1 1131 . 7 1 1 A 90 90 LYS N N 90 125.894 122.361 3.533 1
1 1132 . 7 1 1 A 91 91 ILE H H 91 8.141 8.745 -0.604 1
1 1133 . 7 1 1 A 91 91 ILE HA H 91 4.165 4.542 -0.377 1
1 1143 . 7 1 1 A 91 91 ILE C C 91 175.506 174.339 1.167 1
1 1144 . 7 1 1 A 91 91 ILE CA C 91 59.516 60.115 -0.599 1
1 1145 . 7 1 1 A 91 91 ILE CB C 91 37.991 38.064 -0.073 1
1 1149 . 7 1 1 A 91 91 ILE N N 91 124.934 125.716 -0.782 1
1 1150 . 7 1 1 A 92 92 ARG H H 92 8.488 8.696 -0.208 1
1 1151 . 7 1 1 A 92 92 ARG HA H 92 4.318 4.647 -0.329 1
1 1158 . 7 1 1 A 92 92 ARG C C 92 175.508 175.551 -0.043 1
1 1159 . 7 1 1 A 92 92 ARG CA C 92 55.708 54.703 1.005 1
1 1160 . 7 1 1 A 92 92 ARG CB C 92 30.394 31.371 -0.977 1
1 1163 . 7 1 1 A 92 92 ARG N N 92 126.033 128.712 -2.679 1
1 1164 . 7 1 1 A 93 93 MET H H 93 8.362 8.603 -0.241 1
1 1165 . 7 1 1 A 93 93 MET C C 93 175.367 176.113 -0.746 1
1 1166 . 7 1 1 A 93 93 MET CA C 93 52.994 57.413 -4.419 1
1 1167 . 7 1 1 A 93 93 MET CB C 93 32.271 31.356 0.915 1
1 1168 . 7 1 1 A 93 93 MET N N 93 123.282 125.864 -2.582 1
1 1169 . 7 1 1 A 94 94 PRO HA H 94 4.505 4.578 -0.073 1
1 1176 . 7 1 1 A 94 94 PRO CA C 94 62.884 63.657 -0.773 1
1 1177 . 7 1 1 A 94 94 PRO CB C 94 31.885 32.140 -0.255 1
1 1180 . 7 1 1 A 95 95 THR H H 95 8.180 7.943 0.237 1
1 1181 . 7 1 1 A 95 95 THR HA H 95 4.320 4.421 -0.101 1
1 1186 . 7 1 1 A 95 95 THR C C 95 176.463 174.018 2.445 1
1 1187 . 7 1 1 A 95 95 THR CA C 95 61.391 60.611 0.780 1
1 1188 . 7 1 1 A 95 95 THR CB C 95 69.583 68.466 1.117 1
1 1190 . 7 1 1 A 95 95 THR N N 95 114.511 110.473 4.038 1
1 1 . 8 1 1 A 2 2 PRO HA H 2 4.279 4.463 -0.184 1
1 8 . 8 1 1 A 2 2 PRO CA C 2 61.757 63.070 -1.313 1
1 9 . 8 1 1 A 2 2 PRO CB C 2 32.181 31.837 0.344 1
1 12 . 8 1 1 A 3 3 ALA H H 3 8.418 8.484 -0.066 1
1 13 . 8 1 1 A 3 3 ALA HA H 3 4.242 4.805 -0.563 1
1 17 . 8 1 1 A 3 3 ALA C C 3 171.733 176.631 -4.898 1
1 18 . 8 1 1 A 3 3 ALA CA C 3 53.120 50.581 2.539 1
1 19 . 8 1 1 A 3 3 ALA CB C 3 19.076 22.652 -3.576 1
1 20 . 8 1 1 A 3 3 ALA N N 3 122.573 124.979 -2.406 1
1 21 . 8 1 1 A 4 4 ILE H H 4 8.389 8.521 -0.132 1
1 22 . 8 1 1 A 4 4 ILE HA H 4 3.730 3.871 -0.141 1
1 32 . 8 1 1 A 4 4 ILE C C 4 177.391 174.520 2.871 1
1 33 . 8 1 1 A 4 4 ILE CA C 4 60.039 61.382 -1.343 1
1 34 . 8 1 1 A 4 4 ILE CB C 4 34.720 37.365 -2.645 1
1 38 . 8 1 1 A 4 4 ILE N N 4 119.283 116.503 2.780 1
1 39 . 8 1 1 A 5 5 GLU H H 5 6.799 8.323 -1.524 1
1 40 . 8 1 1 A 5 5 GLU HA H 5 4.630 4.650 -0.020 1
1 45 . 8 1 1 A 5 5 GLU C C 5 173.009 176.082 -3.073 1
1 46 . 8 1 1 A 5 5 GLU CA C 5 53.474 55.885 -2.411 1
1 47 . 8 1 1 A 5 5 GLU CB C 5 32.091 31.432 0.659 1
1 49 . 8 1 1 A 5 5 GLU N N 5 122.616 126.545 -3.929 1
1 50 . 8 1 1 A 6 6 VAL H H 6 8.899 8.543 0.356 1
1 51 . 8 1 1 A 6 6 VAL HA H 6 3.318 3.949 -0.631 1
1 59 . 8 1 1 A 6 6 VAL C C 6 174.172 176.497 -2.325 1
1 60 . 8 1 1 A 6 6 VAL CA C 6 65.581 63.793 1.788 1
1 61 . 8 1 1 A 6 6 VAL CB C 6 30.939 31.315 -0.376 1
1 64 . 8 1 1 A 6 6 VAL N N 6 122.205 124.175 -1.970 1
1 65 . 8 1 1 A 7 7 GLY H H 7 9.478 8.955 0.523 1
1 66 . 8 1 1 A 7 7 GLY HA2 H 7 5.016 3.974 1.042 1
1 67 . 8 1 1 A 7 7 GLY HA3 H 7 3.187 3.975 -0.788 1
1 68 . 8 1 1 A 7 7 GLY C C 7 176.688 173.973 2.715 1
1 69 . 8 1 1 A 7 7 GLY CA C 7 44.580 45.039 -0.459 1
1 70 . 8 1 1 A 7 7 GLY N N 7 115.742 115.073 0.669 1
1 71 . 8 1 1 A 8 8 ARG H H 8 8.128 7.983 0.145 1
1 72 . 8 1 1 A 8 8 ARG HA H 8 4.226 4.493 -0.267 1
1 79 . 8 1 1 A 8 8 ARG C C 8 173.667 175.805 -2.138 1
1 80 . 8 1 1 A 8 8 ARG CA C 8 54.906 55.255 -0.349 1
1 81 . 8 1 1 A 8 8 ARG CB C 8 29.331 31.123 -1.792 1
1 84 . 8 1 1 A 8 8 ARG N N 8 120.180 121.871 -1.691 1
1 85 . 8 1 1 A 9 9 ILE H H 9 8.571 8.196 0.375 1
1 86 . 8 1 1 A 9 9 ILE HA H 9 4.965 4.270 0.695 1
1 96 . 8 1 1 A 9 9 ILE C C 9 175.361 175.663 -0.302 1
1 97 . 8 1 1 A 9 9 ILE CA C 9 61.241 62.046 -0.805 1
1 98 . 8 1 1 A 9 9 ILE CB C 9 36.712 37.993 -1.281 1
1 102 . 8 1 1 A 9 9 ILE N N 9 129.626 127.644 1.982 1
1 103 . 8 1 1 A 10 10 CYS H H 10 9.614 9.612 0.002 1
1 104 . 8 1 1 A 10 10 CYS HA H 10 5.471 5.343 0.128 1
1 107 . 8 1 1 A 10 10 CYS C C 10 177.158 172.993 4.165 1
1 108 . 8 1 1 A 10 10 CYS CA C 10 57.088 57.909 -0.821 1
1 109 . 8 1 1 A 10 10 CYS CB C 10 32.935 32.163 0.772 1
1 110 . 8 1 1 A 10 10 CYS N N 10 126.595 125.275 1.320 1
1 111 . 8 1 1 A 11 11 VAL H H 11 8.926 9.077 -0.151 1
1 112 . 8 1 1 A 11 11 VAL HA H 11 4.351 4.917 -0.566 1
1 120 . 8 1 1 A 11 11 VAL C C 11 172.010 174.945 -2.935 1
1 121 . 8 1 1 A 11 11 VAL CA C 11 60.857 59.585 1.272 1
1 122 . 8 1 1 A 11 11 VAL CB C 11 33.989 35.663 -1.674 1
1 125 . 8 1 1 A 11 11 VAL N N 11 119.765 120.878 -1.113 1
1 126 . 8 1 1 A 12 12 LYS H H 12 8.961 8.267 0.694 1
1 127 . 8 1 1 A 12 12 LYS HA H 12 4.510 4.439 0.071 1
1 136 . 8 1 1 A 12 12 LYS C C 12 175.625 177.305 -1.680 1
1 137 . 8 1 1 A 12 12 LYS CA C 12 56.422 56.767 -0.345 1
1 138 . 8 1 1 A 12 12 LYS CB C 12 32.726 32.520 0.206 1
1 142 . 8 1 1 A 12 12 LYS N N 12 127.967 126.243 1.724 1
1 143 . 8 1 1 A 13 13 VAL H H 13 8.522 9.347 -0.825 1
1 144 . 8 1 1 A 13 13 VAL HA H 13 4.518 4.465 0.053 1
1 152 . 8 1 1 A 13 13 VAL C C 13 176.284 175.544 0.740 1
1 153 . 8 1 1 A 13 13 VAL CA C 13 61.492 61.877 -0.385 1
1 154 . 8 1 1 A 13 13 VAL CB C 13 32.089 33.645 -1.556 1
1 157 . 8 1 1 A 13 13 VAL N N 13 118.593 117.879 0.714 1
1 158 . 8 1 1 A 14 14 LYS H H 14 7.310 7.618 -0.308 1
1 159 . 8 1 1 A 14 14 LYS HA H 14 4.580 4.885 -0.305 1
1 168 . 8 1 1 A 14 14 LYS C C 14 174.043 175.961 -1.918 1
1 169 . 8 1 1 A 14 14 LYS CA C 14 54.090 55.770 -1.680 1
1 170 . 8 1 1 A 14 14 LYS CB C 14 36.489 36.129 0.360 1
1 174 . 8 1 1 A 14 14 LYS N N 14 117.809 121.653 -3.844 1
1 175 . 8 1 1 A 15 15 GLY H H 15 8.548 8.555 -0.007 1
1 176 . 8 1 1 A 15 15 GLY HA2 H 15 4.264 4.070 0.194 1
1 177 . 8 1 1 A 15 15 GLY HA3 H 15 3.845 4.125 -0.280 1
1 178 . 8 1 1 A 15 15 GLY C C 15 175.166 174.985 0.181 1
1 179 . 8 1 1 A 15 15 GLY CA C 15 43.993 45.307 -1.314 1
1 180 . 8 1 1 A 15 15 GLY N N 15 108.732 113.897 -5.165 1
1 181 . 8 1 1 A 16 16 ARG H H 16 8.618 8.419 0.199 1
1 182 . 8 1 1 A 16 16 ARG HA H 16 4.082 3.919 0.163 1
1 189 . 8 1 1 A 16 16 ARG C C 16 174.254 174.664 -0.410 1
1 190 . 8 1 1 A 16 16 ARG CA C 16 57.950 58.031 -0.081 1
1 191 . 8 1 1 A 16 16 ARG CB C 16 29.776 28.033 1.743 1
1 194 . 8 1 1 A 16 16 ARG N N 16 120.561 114.858 5.703 1
1 195 . 8 1 1 A 17 17 GLU H H 17 8.935 8.109 0.826 1
1 196 . 8 1 1 A 17 17 GLU HA H 17 4.190 4.590 -0.400 1
1 201 . 8 1 1 A 17 17 GLU C C 17 177.426 176.426 1.000 1
1 202 . 8 1 1 A 17 17 GLU CA C 17 55.386 55.613 -0.227 1
1 203 . 8 1 1 A 17 17 GLU CB C 17 27.412 30.282 -2.870 1
1 205 . 8 1 1 A 17 17 GLU N N 17 115.930 119.825 -3.895 1
1 206 . 8 1 1 A 18 18 ALA H H 18 7.267 8.206 -0.939 1
1 207 . 8 1 1 A 18 18 ALA HA H 18 3.737 4.781 -1.044 1
1 211 . 8 1 1 A 18 18 ALA C C 18 174.969 177.655 -2.686 1
1 212 . 8 1 1 A 18 18 ALA CA C 18 53.272 50.837 2.435 1
1 213 . 8 1 1 A 18 18 ALA CB C 18 17.382 19.712 -2.330 1
1 214 . 8 1 1 A 18 18 ALA N N 18 120.485 129.687 -9.202 1
1 215 . 8 1 1 A 19 19 GLY H H 19 9.424 8.050 1.374 1
1 216 . 8 1 1 A 19 19 GLY HA2 H 19 4.680 3.953 0.727 1
1 217 . 8 1 1 A 19 19 GLY HA3 H 19 3.451 3.955 -0.504 1
1 218 . 8 1 1 A 19 19 GLY C C 19 178.386 173.966 4.420 1
1 219 . 8 1 1 A 19 19 GLY CA C 19 44.905 45.954 -1.049 1
1 220 . 8 1 1 A 19 19 GLY N N 19 112.194 106.782 5.412 1
1 221 . 8 1 1 A 20 20 SER H H 20 8.162 7.740 0.422 1
1 222 . 8 1 1 A 20 20 SER HA H 20 4.861 4.957 -0.096 1
1 225 . 8 1 1 A 20 20 SER C C 20 173.441 172.743 0.698 1
1 226 . 8 1 1 A 20 20 SER CA C 20 58.253 57.052 1.201 1
1 227 . 8 1 1 A 20 20 SER CB C 20 64.447 65.907 -1.460 1
1 228 . 8 1 1 A 20 20 SER N N 20 115.207 113.485 1.722 1
1 229 . 8 1 1 A 21 21 LYS H H 21 8.836 8.452 0.384 1
1 230 . 8 1 1 A 21 21 LYS HA H 21 5.369 5.092 0.277 1
1 239 . 8 1 1 A 21 21 LYS C C 21 172.859 175.486 -2.627 1
1 240 . 8 1 1 A 21 21 LYS CA C 21 55.508 54.864 0.644 1
1 241 . 8 1 1 A 21 21 LYS CB C 21 34.795 34.706 0.089 1
1 245 . 8 1 1 A 21 21 LYS N N 21 121.269 122.513 -1.244 1
1 246 . 8 1 1 A 22 22 CYS H H 22 8.905 9.105 -0.200 1
1 247 . 8 1 1 A 22 22 CYS HA H 22 5.527 5.172 0.355 1
1 250 . 8 1 1 A 22 22 CYS C C 22 174.204 172.841 1.363 1
1 251 . 8 1 1 A 22 22 CYS CA C 22 55.584 57.685 -2.101 1
1 252 . 8 1 1 A 22 22 CYS CB C 22 30.941 32.694 -1.753 1
1 253 . 8 1 1 A 22 22 CYS N N 22 110.073 119.781 -9.708 1
1 254 . 8 1 1 A 23 23 VAL H H 23 9.325 9.244 0.081 1
1 255 . 8 1 1 A 23 23 VAL HA H 23 4.761 4.996 -0.235 1
1 263 . 8 1 1 A 23 23 VAL C C 23 171.121 173.516 -2.395 1
1 264 . 8 1 1 A 23 23 VAL CA C 23 60.552 59.503 1.049 1
1 265 . 8 1 1 A 23 23 VAL CB C 23 35.141 35.553 -0.412 1
1 268 . 8 1 1 A 23 23 VAL N N 23 119.042 120.530 -1.488 1
1 269 . 8 1 1 A 24 24 ILE H H 24 8.239 9.073 -0.834 1
1 270 . 8 1 1 A 24 24 ILE HA H 24 4.239 4.473 -0.234 1
1 280 . 8 1 1 A 24 24 ILE C C 24 175.805 176.827 -1.022 1
1 281 . 8 1 1 A 24 24 ILE CA C 24 62.552 60.823 1.729 1
1 282 . 8 1 1 A 24 24 ILE CB C 24 36.819 37.523 -0.704 1
1 286 . 8 1 1 A 24 24 ILE N N 24 124.259 127.364 -3.105 1
1 287 . 8 1 1 A 25 25 VAL H H 25 9.205 8.777 0.428 1
1 288 . 8 1 1 A 25 25 VAL HA H 25 4.689 4.316 0.373 1
1 296 . 8 1 1 A 25 25 VAL C C 25 175.650 175.569 0.081 1
1 297 . 8 1 1 A 25 25 VAL CA C 25 60.947 62.432 -1.485 1
1 298 . 8 1 1 A 25 25 VAL CB C 25 32.986 32.919 0.067 1
1 301 . 8 1 1 A 25 25 VAL N N 25 121.805 121.990 -0.185 1
1 302 . 8 1 1 A 26 26 ASP H H 26 8.103 7.790 0.313 1
1 303 . 8 1 1 A 26 26 ASP HA H 26 4.771 5.016 -0.245 1
1 306 . 8 1 1 A 26 26 ASP C C 26 174.343 173.761 0.582 1
1 307 . 8 1 1 A 26 26 ASP CA C 26 53.671 53.906 -0.235 1
1 308 . 8 1 1 A 26 26 ASP CB C 26 43.563 44.595 -1.032 1
1 309 . 8 1 1 A 26 26 ASP N N 26 118.459 119.799 -1.340 1
1 310 . 8 1 1 A 27 27 ILE H H 27 9.092 8.920 0.172 1
1 311 . 8 1 1 A 27 27 ILE HA H 27 4.273 4.258 0.015 1
1 321 . 8 1 1 A 27 27 ILE C C 27 173.976 175.394 -1.418 1
1 322 . 8 1 1 A 27 27 ILE CA C 27 60.306 61.248 -0.942 1
1 323 . 8 1 1 A 27 27 ILE CB C 27 38.339 37.150 1.189 1
1 327 . 8 1 1 A 27 27 ILE N N 27 124.375 126.105 -1.730 1
1 328 . 8 1 1 A 28 28 ILE H H 28 8.055 8.869 -0.814 1
1 329 . 8 1 1 A 28 28 ILE HA H 28 3.986 4.051 -0.065 1
1 339 . 8 1 1 A 28 28 ILE C C 28 174.733 176.077 -1.344 1
1 340 . 8 1 1 A 28 28 ILE CA C 28 62.414 63.645 -1.231 1
1 341 . 8 1 1 A 28 28 ILE CB C 28 37.450 38.665 -1.215 1
1 345 . 8 1 1 A 28 28 ILE N N 28 127.525 129.507 -1.982 1
1 346 . 8 1 1 A 29 29 ASP H H 29 8.438 8.473 -0.035 1
1 347 . 8 1 1 A 29 29 ASP HA H 29 4.522 5.072 -0.550 1
1 350 . 8 1 1 A 29 29 ASP C C 29 175.289 176.129 -0.840 1
1 351 . 8 1 1 A 29 29 ASP CA C 29 53.316 52.407 0.909 1
1 352 . 8 1 1 A 29 29 ASP CB C 29 39.450 44.186 -4.736 1
1 353 . 8 1 1 A 29 29 ASP N N 29 118.886 118.549 0.337 1
1 354 . 8 1 1 A 30 30 ASP H H 30 8.140 8.701 -0.561 1
1 355 . 8 1 1 A 30 30 ASP HA H 30 4.375 4.341 0.034 1
1 358 . 8 1 1 A 30 30 ASP C C 30 174.332 177.465 -3.133 1
1 359 . 8 1 1 A 30 30 ASP CA C 30 56.171 57.593 -1.422 1
1 360 . 8 1 1 A 30 30 ASP CB C 30 40.302 40.733 -0.431 1
1 361 . 8 1 1 A 30 30 ASP N N 30 112.219 121.945 -9.726 1
1 362 . 8 1 1 A 31 31 ASN H H 31 8.866 8.016 0.850 1
1 363 . 8 1 1 A 31 31 ASN HA H 31 4.805 4.972 -0.167 1
1 366 . 8 1 1 A 31 31 ASN C C 31 175.926 174.939 0.987 1
1 367 . 8 1 1 A 31 31 ASN CA C 31 54.015 54.184 -0.169 1
1 368 . 8 1 1 A 31 31 ASN CB C 31 42.366 40.473 1.893 1
1 369 . 8 1 1 A 31 31 ASN N N 31 114.650 115.538 -0.888 1
1 370 . 8 1 1 A 32 32 PHE H H 32 8.481 7.980 0.501 1
1 371 . 8 1 1 A 32 32 PHE HA H 32 5.279 5.393 -0.114 1
1 376 . 8 1 1 A 32 32 PHE C C 32 173.451 175.637 -2.186 1
1 377 . 8 1 1 A 32 32 PHE CA C 32 57.629 57.522 0.107 1
1 378 . 8 1 1 A 32 32 PHE CB C 32 42.418 40.133 2.285 1
1 379 . 8 1 1 A 32 32 PHE N N 32 117.648 116.716 0.932 1
1 380 . 8 1 1 A 33 33 VAL H H 33 8.680 9.298 -0.618 1
1 381 . 8 1 1 A 33 33 VAL HA H 33 4.720 4.910 -0.190 1
1 389 . 8 1 1 A 33 33 VAL C C 33 174.458 173.916 0.542 1
1 390 . 8 1 1 A 33 33 VAL CA C 33 58.331 59.193 -0.862 1
1 391 . 8 1 1 A 33 33 VAL CB C 33 34.410 35.612 -1.202 1
1 394 . 8 1 1 A 33 33 VAL N N 33 110.814 117.765 -6.951 1
1 395 . 8 1 1 A 34 34 LEU H H 34 8.696 8.654 0.042 1
1 396 . 8 1 1 A 34 34 LEU HA H 34 4.871 4.976 -0.105 1
1 406 . 8 1 1 A 34 34 LEU C C 34 172.716 175.860 -3.144 1
1 407 . 8 1 1 A 34 34 LEU CA C 34 53.776 53.601 0.175 1
1 408 . 8 1 1 A 34 34 LEU CB C 34 44.582 43.538 1.044 1
1 412 . 8 1 1 A 34 34 LEU N N 34 123.160 125.983 -2.823 1
1 413 . 8 1 1 A 35 35 VAL H H 35 8.460 9.437 -0.977 1
1 414 . 8 1 1 A 35 35 VAL HA H 35 5.674 5.306 0.368 1
1 422 . 8 1 1 A 35 35 VAL C C 35 176.009 174.567 1.442 1
1 423 . 8 1 1 A 35 35 VAL CA C 35 57.423 59.719 -2.296 1
1 424 . 8 1 1 A 35 35 VAL CB C 35 35.541 34.289 1.252 1
1 427 . 8 1 1 A 35 35 VAL N N 35 119.184 122.151 -2.967 1
1 428 . 8 1 1 A 36 36 THR H H 36 8.362 8.889 -0.527 1
1 429 . 8 1 1 A 36 36 THR HA H 36 4.535 4.707 -0.172 1
1 434 . 8 1 1 A 36 36 THR C C 36 173.498 172.524 0.974 1
1 435 . 8 1 1 A 36 36 THR CA C 36 59.643 60.211 -0.568 1
1 436 . 8 1 1 A 36 36 THR CB C 36 70.439 69.859 0.580 1
1 438 . 8 1 1 A 36 36 THR N N 36 109.151 116.880 -7.729 1
1 439 . 8 1 1 A 37 37 GLY H H 37 7.571 8.529 -0.958 1
1 440 . 8 1 1 A 37 37 GLY C C 37 172.460 172.145 0.315 1
1 441 . 8 1 1 A 37 37 GLY CA C 37 51.421 44.003 7.418 1
1 442 . 8 1 1 A 37 37 GLY N N 37 115.474 111.158 4.316 1
1 443 . 8 1 1 A 38 38 PRO HA H 38 5.235 4.818 0.417 1
1 450 . 8 1 1 A 38 38 PRO CA C 38 60.459 62.594 -2.135 1
1 451 . 8 1 1 A 38 38 PRO CB C 38 35.517 30.534 4.983 1
1 454 . 8 1 1 A 39 39 LYS H H 39 9.463 8.677 0.786 1
1 455 . 8 1 1 A 39 39 LYS HA H 39 3.545 4.718 -1.173 1
1 464 . 8 1 1 A 39 39 LYS C C 39 179.019 177.406 1.613 1
1 465 . 8 1 1 A 39 39 LYS CA C 39 60.344 57.665 2.679 1
1 466 . 8 1 1 A 39 39 LYS CB C 39 31.826 31.380 0.446 1
1 470 . 8 1 1 A 39 39 LYS N N 39 127.869 123.228 4.641 1
1 471 . 8 1 1 A 40 40 ASP H H 40 9.035 8.031 1.004 1
1 472 . 8 1 1 A 40 40 ASP HA H 40 4.375 4.508 -0.133 1
1 475 . 8 1 1 A 40 40 ASP C C 40 177.615 176.916 0.699 1
1 476 . 8 1 1 A 40 40 ASP CA C 40 55.080 55.493 -0.413 1
1 477 . 8 1 1 A 40 40 ASP CB C 40 39.209 41.213 -2.004 1
1 478 . 8 1 1 A 40 40 ASP N N 40 115.744 119.390 -3.646 1
1 479 . 8 1 1 A 41 41 ILE H H 41 7.739 7.942 -0.203 1
1 480 . 8 1 1 A 41 41 ILE HA H 41 4.218 4.222 -0.004 1
1 490 . 8 1 1 A 41 41 ILE C C 41 174.826 175.351 -0.525 1
1 491 . 8 1 1 A 41 41 ILE CA C 41 61.664 62.682 -1.018 1
1 492 . 8 1 1 A 41 41 ILE CB C 41 37.453 39.794 -2.341 1
1 496 . 8 1 1 A 41 41 ILE N N 41 116.447 117.303 -0.856 1
1 497 . 8 1 1 A 42 42 THR H H 42 7.766 8.545 -0.779 1
1 498 . 8 1 1 A 42 42 THR HA H 42 4.734 4.700 0.034 1
1 503 . 8 1 1 A 42 42 THR C C 42 175.827 175.370 0.457 1
1 504 . 8 1 1 A 42 42 THR CA C 42 60.110 59.998 0.112 1
1 505 . 8 1 1 A 42 42 THR CB C 42 71.791 71.228 0.563 1
1 507 . 8 1 1 A 42 42 THR N N 42 104.054 112.948 -8.894 1
1 508 . 8 1 1 A 43 43 GLY H H 43 7.844 8.815 -0.971 1
1 509 . 8 1 1 A 43 43 GLY HA2 H 43 4.461 3.789 0.672 1
1 510 . 8 1 1 A 43 43 GLY HA3 H 43 3.836 3.791 0.045 1
1 511 . 8 1 1 A 43 43 GLY C C 43 175.208 173.831 1.377 1
1 512 . 8 1 1 A 43 43 GLY CA C 43 44.826 47.091 -2.265 1
1 513 . 8 1 1 A 43 43 GLY N N 43 109.006 113.509 -4.503 1
1 514 . 8 1 1 A 44 44 VAL H H 44 7.289 7.631 -0.342 1
1 515 . 8 1 1 A 44 44 VAL HA H 44 3.945 4.590 -0.645 1
1 523 . 8 1 1 A 44 44 VAL C C 44 173.149 175.090 -1.941 1
1 524 . 8 1 1 A 44 44 VAL CA C 44 62.902 61.194 1.708 1
1 525 . 8 1 1 A 44 44 VAL CB C 44 31.715 33.901 -2.186 1
1 528 . 8 1 1 A 44 44 VAL N N 44 120.903 119.863 1.040 1
1 529 . 8 1 1 A 45 45 LYS H H 45 8.308 8.826 -0.518 1
1 530 . 8 1 1 A 45 45 LYS HA H 45 4.190 4.820 -0.630 1
1 539 . 8 1 1 A 45 45 LYS C C 45 175.177 175.911 -0.734 1
1 540 . 8 1 1 A 45 45 LYS CA C 45 56.355 54.261 2.094 1
1 541 . 8 1 1 A 45 45 LYS CB C 45 33.385 35.111 -1.726 1
1 545 . 8 1 1 A 45 45 LYS N N 45 128.406 126.648 1.758 1
1 546 . 8 1 1 A 46 46 ARG H H 46 8.080 8.363 -0.283 1
1 547 . 8 1 1 A 46 46 ARG HA H 46 5.720 4.842 0.878 1
1 554 . 8 1 1 A 46 46 ARG C C 46 173.780 175.636 -1.856 1
1 555 . 8 1 1 A 46 46 ARG CA C 46 54.888 55.939 -1.051 1
1 556 . 8 1 1 A 46 46 ARG CB C 46 29.630 30.825 -1.195 1
1 559 . 8 1 1 A 46 46 ARG N N 46 120.129 120.475 -0.346 1
1 560 . 8 1 1 A 47 47 ARG H H 47 8.452 9.041 -0.589 1
1 561 . 8 1 1 A 47 47 ARG HA H 47 4.732 4.897 -0.165 1
1 568 . 8 1 1 A 47 47 ARG C C 47 176.138 174.814 1.324 1
1 569 . 8 1 1 A 47 47 ARG CA C 47 54.319 54.472 -0.153 1
1 570 . 8 1 1 A 47 47 ARG CB C 47 33.746 34.368 -0.622 1
1 573 . 8 1 1 A 47 47 ARG N N 47 126.780 121.174 5.606 1
1 574 . 8 1 1 A 48 48 ARG H H 48 8.546 8.659 -0.113 1
1 575 . 8 1 1 A 48 48 ARG HA H 48 5.111 5.164 -0.053 1
1 582 . 8 1 1 A 48 48 ARG C C 48 174.339 175.237 -0.898 1
1 583 . 8 1 1 A 48 48 ARG CA C 48 55.524 55.421 0.103 1
1 584 . 8 1 1 A 48 48 ARG CB C 48 31.132 31.262 -0.130 1
1 587 . 8 1 1 A 48 48 ARG N N 48 121.931 120.352 1.579 1
1 588 . 8 1 1 A 49 49 VAL H H 49 9.485 9.121 0.364 1
1 589 . 8 1 1 A 49 49 VAL HA H 49 4.651 5.134 -0.483 1
1 597 . 8 1 1 A 49 49 VAL C C 49 176.112 174.718 1.394 1
1 598 . 8 1 1 A 49 49 VAL CA C 49 60.040 58.879 1.161 1
1 599 . 8 1 1 A 49 49 VAL CB C 49 36.427 35.396 1.031 1
1 602 . 8 1 1 A 49 49 VAL N N 49 122.891 119.237 3.654 1
1 603 . 8 1 1 A 50 50 ASN H H 50 8.569 8.541 0.028 1
1 604 . 8 1 1 A 50 50 ASN HA H 50 4.213 5.445 -1.232 1
1 607 . 8 1 1 A 50 50 ASN C C 50 173.258 174.565 -1.307 1
1 608 . 8 1 1 A 50 50 ASN CA C 50 52.732 51.832 0.900 1
1 609 . 8 1 1 A 50 50 ASN CB C 50 38.173 39.630 -1.457 1
1 610 . 8 1 1 A 50 50 ASN N N 50 125.736 118.712 7.024 1
1 611 . 8 1 1 A 51 51 ILE H H 51 8.601 8.292 0.309 1
1 612 . 8 1 1 A 51 51 ILE HA H 51 3.632 4.169 -0.537 1
1 622 . 8 1 1 A 51 51 ILE C C 51 176.785 175.053 1.732 1
1 623 . 8 1 1 A 51 51 ILE CA C 51 65.046 60.860 4.186 1
1 624 . 8 1 1 A 51 51 ILE CB C 51 38.532 36.787 1.745 1
1 628 . 8 1 1 A 51 51 ILE N N 51 126.454 118.526 7.928 1
1 629 . 8 1 1 A 52 52 LEU H H 52 8.448 7.921 0.527 1
1 630 . 8 1 1 A 52 52 LEU HA H 52 4.290 4.516 -0.226 1
1 640 . 8 1 1 A 52 52 LEU C C 52 176.765 176.634 0.131 1
1 641 . 8 1 1 A 52 52 LEU CA C 52 55.880 53.807 2.073 1
1 642 . 8 1 1 A 52 52 LEU CB C 52 40.983 42.771 -1.788 1
1 646 . 8 1 1 A 52 52 LEU N N 52 118.365 126.251 -7.886 1
1 647 . 8 1 1 A 53 53 HIS H H 53 8.358 7.723 0.635 1
1 648 . 8 1 1 A 53 53 HIS HA H 53 4.621 4.988 -0.367 1
1 651 . 8 1 1 A 53 53 HIS C C 53 178.018 175.189 2.829 1
1 652 . 8 1 1 A 53 53 HIS CA C 53 53.996 56.935 -2.939 1
1 653 . 8 1 1 A 53 53 HIS CB C 53 30.306 32.100 -1.794 1
1 654 . 8 1 1 A 53 53 HIS N N 53 116.672 119.596 -2.924 1
1 655 . 8 1 1 A 54 54 LEU H H 54 7.693 7.762 -0.069 1
1 656 . 8 1 1 A 54 54 LEU HA H 54 5.222 5.157 0.065 1
1 666 . 8 1 1 A 54 54 LEU C C 54 173.609 175.575 -1.966 1
1 667 . 8 1 1 A 54 54 LEU CA C 54 52.932 52.771 0.161 1
1 668 . 8 1 1 A 54 54 LEU CB C 54 45.943 46.090 -0.147 1
1 672 . 8 1 1 A 54 54 LEU N N 54 119.311 114.850 4.461 1
1 673 . 8 1 1 A 55 55 GLU H H 55 9.073 9.035 0.038 1
1 674 . 8 1 1 A 55 55 GLU C C 55 175.102 174.015 1.087 1
1 675 . 8 1 1 A 55 55 GLU CA C 55 52.073 52.913 -0.840 1
1 676 . 8 1 1 A 55 55 GLU CB C 55 31.958 31.721 0.237 1
1 677 . 8 1 1 A 55 55 GLU N N 55 120.139 118.970 1.169 1
1 678 . 8 1 1 A 56 56 PRO HA H 56 4.903 4.547 0.356 1
1 685 . 8 1 1 A 56 56 PRO CA C 56 63.121 62.706 0.415 1
1 686 . 8 1 1 A 56 56 PRO CB C 56 32.274 32.046 0.228 1
1 689 . 8 1 1 A 57 57 THR H H 57 8.502 8.781 -0.279 1
1 690 . 8 1 1 A 57 57 THR HA H 57 4.932 4.585 0.347 1
1 695 . 8 1 1 A 57 57 THR C C 57 175.894 174.728 1.166 1
1 696 . 8 1 1 A 57 57 THR CA C 57 60.602 60.447 0.155 1
1 697 . 8 1 1 A 57 57 THR CB C 57 71.821 70.468 1.353 1
1 699 . 8 1 1 A 57 57 THR N N 57 113.388 112.935 0.453 1
1 700 . 8 1 1 A 58 58 ASP H H 58 8.605 8.571 0.034 1
1 701 . 8 1 1 A 58 58 ASP HA H 58 4.445 4.545 -0.100 1
1 704 . 8 1 1 A 58 58 ASP C C 58 173.673 176.209 -2.536 1
1 705 . 8 1 1 A 58 58 ASP CA C 58 53.743 55.844 -2.101 1
1 706 . 8 1 1 A 58 58 ASP CB C 58 39.622 41.732 -2.110 1
1 707 . 8 1 1 A 58 58 ASP N N 58 115.340 118.536 -3.196 1
1 708 . 8 1 1 A 59 59 LYS H H 59 8.544 7.417 1.127 1
1 709 . 8 1 1 A 59 59 LYS HA H 59 4.646 4.737 -0.091 1
1 718 . 8 1 1 A 59 59 LYS C C 59 174.972 175.755 -0.783 1
1 719 . 8 1 1 A 59 59 LYS CA C 59 54.336 55.131 -0.795 1
1 720 . 8 1 1 A 59 59 LYS CB C 59 34.626 34.564 0.062 1
1 724 . 8 1 1 A 59 59 LYS N N 59 119.488 117.798 1.690 1
1 725 . 8 1 1 A 60 60 LYS H H 60 8.227 8.837 -0.610 1
1 726 . 8 1 1 A 60 60 LYS HA H 60 4.999 5.176 -0.177 1
1 735 . 8 1 1 A 60 60 LYS C C 60 174.256 175.268 -1.012 1
1 736 . 8 1 1 A 60 60 LYS CA C 60 54.465 54.825 -0.360 1
1 737 . 8 1 1 A 60 60 LYS CB C 60 36.153 35.995 0.158 1
1 741 . 8 1 1 A 60 60 LYS N N 60 121.112 122.855 -1.743 1
1 742 . 8 1 1 A 61 61 ILE H H 61 8.527 8.808 -0.281 1
1 743 . 8 1 1 A 61 61 ILE HA H 61 4.724 4.675 0.049 1
1 753 . 8 1 1 A 61 61 ILE C C 61 174.330 174.623 -0.293 1
1 754 . 8 1 1 A 61 61 ILE CA C 61 58.831 60.288 -1.457 1
1 755 . 8 1 1 A 61 61 ILE CB C 61 41.357 38.488 2.869 1
1 759 . 8 1 1 A 61 61 ILE N N 61 116.027 123.043 -7.016 1
1 760 . 8 1 1 A 62 62 ASP H H 62 8.513 8.960 -0.447 1
1 761 . 8 1 1 A 62 62 ASP HA H 62 4.732 4.803 -0.071 1
1 764 . 8 1 1 A 62 62 ASP C C 62 174.224 176.058 -1.834 1
1 765 . 8 1 1 A 62 62 ASP CA C 62 53.163 54.149 -0.986 1
1 766 . 8 1 1 A 62 62 ASP CB C 62 39.686 40.848 -1.162 1
1 767 . 8 1 1 A 62 62 ASP N N 62 121.643 126.764 -5.121 1
1 768 . 8 1 1 A 63 63 ILE H H 63 7.389 8.867 -1.478 1
1 769 . 8 1 1 A 63 63 ILE HA H 63 4.641 5.187 -0.546 1
1 779 . 8 1 1 A 63 63 ILE C C 63 174.484 173.849 0.635 1
1 780 . 8 1 1 A 63 63 ILE CA C 63 58.244 58.732 -0.488 1
1 781 . 8 1 1 A 63 63 ILE CB C 63 41.811 42.110 -0.299 1
1 785 . 8 1 1 A 63 63 ILE N N 63 114.509 120.660 -6.151 1
1 786 . 8 1 1 A 64 64 GLN H H 64 8.529 8.781 -0.252 1
1 787 . 8 1 1 A 64 64 GLN HA H 64 4.390 5.016 -0.626 1
1 792 . 8 1 1 A 64 64 GLN C C 64 174.409 175.124 -0.715 1
1 793 . 8 1 1 A 64 64 GLN CA C 64 53.860 53.970 -0.110 1
1 794 . 8 1 1 A 64 64 GLN CB C 64 30.086 32.221 -2.135 1
1 796 . 8 1 1 A 64 64 GLN N N 64 119.145 121.121 -1.976 1
1 797 . 8 1 1 A 65 65 LYS H H 65 8.323 8.582 -0.259 1
1 798 . 8 1 1 A 65 65 LYS HA H 65 4.132 3.956 0.176 1
1 807 . 8 1 1 A 65 65 LYS C C 65 174.920 177.480 -2.560 1
1 808 . 8 1 1 A 65 65 LYS CA C 65 57.603 58.314 -0.711 1
1 809 . 8 1 1 A 65 65 LYS CB C 65 32.341 32.032 0.309 1
1 813 . 8 1 1 A 65 65 LYS N N 65 119.780 126.627 -6.847 1
1 814 . 8 1 1 A 66 66 GLY H H 66 9.313 8.875 0.438 1
1 815 . 8 1 1 A 66 66 GLY HA2 H 66 4.093 4.001 0.092 1
1 816 . 8 1 1 A 66 66 GLY HA3 H 66 3.297 4.002 -0.705 1
1 817 . 8 1 1 A 66 66 GLY C C 66 177.892 174.499 3.393 1
1 818 . 8 1 1 A 66 66 GLY CA C 66 44.953 46.170 -1.217 1
1 819 . 8 1 1 A 66 66 GLY N N 66 112.449 114.601 -2.152 1
1 820 . 8 1 1 A 67 67 ALA H H 67 7.545 7.489 0.056 1
1 821 . 8 1 1 A 67 67 ALA HA H 67 4.081 4.691 -0.610 1
1 825 . 8 1 1 A 67 67 ALA C C 67 173.517 175.922 -2.405 1
1 826 . 8 1 1 A 67 67 ALA CA C 67 52.802 51.159 1.643 1
1 827 . 8 1 1 A 67 67 ALA CB C 67 20.424 21.200 -0.776 1
1 828 . 8 1 1 A 67 67 ALA N N 67 121.516 123.659 -2.143 1
1 829 . 8 1 1 A 68 68 SER H H 68 8.904 8.715 0.189 1
1 830 . 8 1 1 A 68 68 SER HA H 68 4.261 4.874 -0.613 1
1 833 . 8 1 1 A 68 68 SER C C 68 177.019 173.760 3.259 1
1 834 . 8 1 1 A 68 68 SER CA C 68 57.321 57.558 -0.237 1
1 835 . 8 1 1 A 68 68 SER CB C 68 65.064 67.046 -1.982 1
1 836 . 8 1 1 A 68 68 SER N N 68 119.470 113.726 5.744 1
1 837 . 8 1 1 A 69 69 ASP H H 69 9.379 8.953 0.426 1
1 838 . 8 1 1 A 69 69 ASP HA H 69 4.184 4.370 -0.186 1
1 841 . 8 1 1 A 69 69 ASP C C 69 173.831 178.329 -4.498 1
1 842 . 8 1 1 A 69 69 ASP CA C 69 57.843 58.123 -0.280 1
1 843 . 8 1 1 A 69 69 ASP CB C 69 39.367 40.070 -0.703 1
1 844 . 8 1 1 A 69 69 ASP N N 69 122.205 122.547 -0.342 1
1 845 . 8 1 1 A 70 70 GLU H H 70 8.454 8.476 -0.022 1
1 846 . 8 1 1 A 70 70 GLU HA H 70 3.966 3.998 -0.032 1
1 851 . 8 1 1 A 70 70 GLU C C 70 177.979 179.215 -1.236 1
1 852 . 8 1 1 A 70 70 GLU CA C 70 59.987 59.776 0.211 1
1 853 . 8 1 1 A 70 70 GLU CB C 70 28.804 29.141 -0.337 1
1 855 . 8 1 1 A 70 70 GLU N N 70 118.426 119.698 -1.272 1
1 856 . 8 1 1 A 71 71 GLU H H 71 7.835 8.148 -0.313 1
1 857 . 8 1 1 A 71 71 GLU HA H 71 4.050 4.019 0.031 1
1 862 . 8 1 1 A 71 71 GLU C C 71 178.486 179.332 -0.846 1
1 863 . 8 1 1 A 71 71 GLU CA C 71 58.998 59.189 -0.191 1
1 864 . 8 1 1 A 71 71 GLU CB C 71 29.068 29.516 -0.448 1
1 866 . 8 1 1 A 71 71 GLU N N 71 122.166 118.608 3.558 1
1 867 . 8 1 1 A 72 72 VAL H H 72 8.387 8.049 0.338 1
1 868 . 8 1 1 A 72 72 VAL HA H 72 3.295 3.567 -0.272 1
1 876 . 8 1 1 A 72 72 VAL C C 72 178.603 177.921 0.682 1
1 877 . 8 1 1 A 72 72 VAL CA C 72 66.989 67.148 -0.159 1
1 878 . 8 1 1 A 72 72 VAL CB C 72 31.242 31.649 -0.407 1
1 881 . 8 1 1 A 72 72 VAL N N 72 118.871 120.979 -2.108 1
1 882 . 8 1 1 A 73 73 LYS H H 73 8.619 8.136 0.483 1
1 883 . 8 1 1 A 73 73 LYS HA H 73 3.734 3.918 -0.184 1
1 892 . 8 1 1 A 73 73 LYS C C 73 177.118 179.129 -2.011 1
1 893 . 8 1 1 A 73 73 LYS CA C 73 60.695 60.188 0.507 1
1 894 . 8 1 1 A 73 73 LYS CB C 73 32.320 32.050 0.270 1
1 898 . 8 1 1 A 73 73 LYS N N 73 118.351 118.359 -0.008 1
1 899 . 8 1 1 A 74 74 LYS H H 74 7.886 8.317 -0.431 1
1 900 . 8 1 1 A 74 74 LYS HA H 74 4.133 3.989 0.144 1
1 909 . 8 1 1 A 74 74 LYS C C 74 178.306 178.971 -0.665 1
1 910 . 8 1 1 A 74 74 LYS CA C 74 58.954 59.744 -0.790 1
1 911 . 8 1 1 A 74 74 LYS CB C 74 31.974 32.396 -0.422 1
1 915 . 8 1 1 A 74 74 LYS N N 74 118.808 120.711 -1.903 1
1 916 . 8 1 1 A 75 75 LYS H H 75 8.118 7.971 0.147 1
1 917 . 8 1 1 A 75 75 LYS HA H 75 4.228 4.158 0.070 1
1 926 . 8 1 1 A 75 75 LYS C C 75 178.795 179.533 -0.738 1
1 927 . 8 1 1 A 75 75 LYS CA C 75 57.158 59.032 -1.874 1
1 928 . 8 1 1 A 75 75 LYS CB C 75 31.382 32.171 -0.789 1
1 932 . 8 1 1 A 75 75 LYS N N 75 118.374 118.890 -0.516 1
1 933 . 8 1 1 A 76 76 LEU H H 76 8.778 8.471 0.307 1
1 934 . 8 1 1 A 76 76 LEU HA H 76 3.931 4.118 -0.187 1
1 944 . 8 1 1 A 76 76 LEU C C 76 180.241 178.240 2.001 1
1 945 . 8 1 1 A 76 76 LEU CA C 76 58.203 57.809 0.394 1
1 946 . 8 1 1 A 76 76 LEU CB C 76 42.015 42.196 -0.181 1
1 950 . 8 1 1 A 76 76 LEU N N 76 121.253 122.019 -0.766 1
1 951 . 8 1 1 A 77 77 GLU H H 77 7.951 8.560 -0.609 1
1 952 . 8 1 1 A 77 77 GLU HA H 77 4.227 3.888 0.339 1
1 957 . 8 1 1 A 77 77 GLU C C 77 178.403 178.938 -0.535 1
1 958 . 8 1 1 A 77 77 GLU CA C 77 58.892 59.983 -1.091 1
1 959 . 8 1 1 A 77 77 GLU CB C 77 28.925 29.035 -0.110 1
1 961 . 8 1 1 A 77 77 GLU N N 77 119.306 118.927 0.379 1
1 962 . 8 1 1 A 78 78 GLU H H 78 8.595 7.767 0.828 1
1 963 . 8 1 1 A 78 78 GLU HA H 78 4.099 4.051 0.048 1
1 968 . 8 1 1 A 78 78 GLU C C 78 180.586 179.192 1.394 1
1 969 . 8 1 1 A 78 78 GLU CA C 78 58.850 59.210 -0.360 1
1 970 . 8 1 1 A 78 78 GLU CB C 78 29.878 29.297 0.581 1
1 972 . 8 1 1 A 78 78 GLU N N 78 120.814 119.156 1.658 1
1 973 . 8 1 1 A 79 79 SER H H 79 7.519 7.632 -0.113 1
1 974 . 8 1 1 A 79 79 SER HA H 79 4.592 4.482 0.110 1
1 977 . 8 1 1 A 79 79 SER C C 79 177.761 173.959 3.802 1
1 978 . 8 1 1 A 79 79 SER CA C 79 58.324 59.530 -1.206 1
1 979 . 8 1 1 A 79 79 SER CB C 79 63.796 63.630 0.166 1
1 980 . 8 1 1 A 79 79 SER N N 79 110.823 113.685 -2.862 1
1 981 . 8 1 1 A 80 80 ASN H H 80 8.126 8.105 0.021 1
1 982 . 8 1 1 A 80 80 ASN HA H 80 4.700 4.428 0.272 1
1 985 . 8 1 1 A 80 80 ASN C C 80 172.562 175.768 -3.206 1
1 986 . 8 1 1 A 80 80 ASN CA C 80 53.603 53.889 -0.286 1
1 987 . 8 1 1 A 80 80 ASN CB C 80 36.754 37.025 -0.271 1
1 988 . 8 1 1 A 80 80 ASN N N 80 117.027 118.125 -1.098 1
1 989 . 8 1 1 A 81 81 LEU H H 81 8.526 7.431 1.095 1
1 990 . 8 1 1 A 81 81 LEU HA H 81 4.767 4.634 0.133 1
1 1000 . 8 1 1 A 81 81 LEU C C 81 175.743 178.051 -2.308 1
1 1001 . 8 1 1 A 81 81 LEU CA C 81 54.008 53.963 0.045 1
1 1002 . 8 1 1 A 81 81 LEU CB C 81 45.026 42.851 2.175 1
1 1006 . 8 1 1 A 81 81 LEU N N 81 114.910 120.614 -5.704 1
1 1007 . 8 1 1 A 82 82 THR H H 82 7.848 7.654 0.194 1
1 1008 . 8 1 1 A 82 82 THR HA H 82 4.117 3.909 0.208 1
1 1013 . 8 1 1 A 82 82 THR C C 82 176.676 176.190 0.486 1
1 1014 . 8 1 1 A 82 82 THR CA C 82 67.474 67.035 0.439 1
1 1015 . 8 1 1 A 82 82 THR CB C 82 68.235 68.507 -0.272 1
1 1017 . 8 1 1 A 82 82 THR N N 82 117.802 113.749 4.053 1
1 1018 . 8 1 1 A 83 83 GLU H H 83 8.335 8.146 0.189 1
1 1019 . 8 1 1 A 83 83 GLU HA H 83 3.915 4.126 -0.211 1
1 1024 . 8 1 1 A 83 83 GLU C C 83 175.177 178.711 -3.534 1
1 1025 . 8 1 1 A 83 83 GLU CA C 83 59.541 59.739 -0.198 1
1 1026 . 8 1 1 A 83 83 GLU CB C 83 27.819 29.331 -1.512 1
1 1028 . 8 1 1 A 83 83 GLU N N 83 118.314 119.912 -1.598 1
1 1029 . 8 1 1 A 84 84 TYR H H 84 8.043 8.275 -0.232 1
1 1030 . 8 1 1 A 84 84 TYR HA H 84 4.111 4.150 -0.039 1
1 1037 . 8 1 1 A 84 84 TYR C C 84 179.081 177.840 1.241 1
1 1038 . 8 1 1 A 84 84 TYR CA C 84 60.788 60.493 0.295 1
1 1039 . 8 1 1 A 84 84 TYR CB C 84 37.753 38.774 -1.021 1
1 1040 . 8 1 1 A 84 84 TYR N N 84 121.386 122.677 -1.291 1
1 1041 . 8 1 1 A 85 85 MET H H 85 8.101 8.030 0.071 1
1 1042 . 8 1 1 A 85 85 MET HA H 85 4.259 4.155 0.104 1
1 1047 . 8 1 1 A 85 85 MET C C 85 178.628 178.600 0.028 1
1 1048 . 8 1 1 A 85 85 MET CA C 85 55.244 58.083 -2.839 1
1 1049 . 8 1 1 A 85 85 MET CB C 85 29.597 32.298 -2.701 1
1 1051 . 8 1 1 A 85 85 MET N N 85 116.695 118.694 -1.999 1
1 1052 . 8 1 1 A 86 86 LYS H H 86 7.301 8.168 -0.867 1
1 1053 . 8 1 1 A 86 86 LYS HA H 86 3.937 4.353 -0.416 1
1 1062 . 8 1 1 A 86 86 LYS C C 86 175.934 176.714 -0.780 1
1 1063 . 8 1 1 A 86 86 LYS CA C 86 57.318 58.397 -1.079 1
1 1064 . 8 1 1 A 86 86 LYS CB C 86 32.956 32.276 0.680 1
1 1068 . 8 1 1 A 86 86 LYS N N 86 114.957 119.373 -4.416 1
1 1069 . 8 1 1 A 87 87 GLU H H 87 7.031 7.738 -0.707 1
1 1070 . 8 1 1 A 87 87 GLU HA H 87 4.185 4.186 -0.001 1
1 1075 . 8 1 1 A 87 87 GLU C C 87 176.247 176.031 0.216 1
1 1076 . 8 1 1 A 87 87 GLU CA C 87 55.780 56.617 -0.837 1
1 1077 . 8 1 1 A 87 87 GLU CB C 87 29.358 30.007 -0.649 1
1 1079 . 8 1 1 A 87 87 GLU N N 87 119.315 120.357 -1.042 1
1 1080 . 8 1 1 A 88 88 LYS H H 88 8.466 8.259 0.207 1
1 1081 . 8 1 1 A 88 88 LYS HA H 88 4.568 4.194 0.374 1
1 1090 . 8 1 1 A 88 88 LYS C C 88 175.539 176.076 -0.537 1
1 1091 . 8 1 1 A 88 88 LYS CA C 88 55.271 56.453 -1.182 1
1 1092 . 8 1 1 A 88 88 LYS CB C 88 33.457 32.741 0.716 1
1 1096 . 8 1 1 A 88 88 LYS N N 88 127.402 123.449 3.953 1
1 1097 . 8 1 1 A 89 89 ILE H H 89 8.752 8.588 0.164 1
1 1098 . 8 1 1 A 89 89 ILE HA H 89 4.249 4.714 -0.465 1
1 1108 . 8 1 1 A 89 89 ILE C C 89 176.471 174.780 1.691 1
1 1109 . 8 1 1 A 89 89 ILE CA C 89 59.014 59.699 -0.685 1
1 1110 . 8 1 1 A 89 89 ILE CB C 89 38.437 40.774 -2.337 1
1 1114 . 8 1 1 A 89 89 ILE N N 89 122.906 123.632 -0.726 1
1 1115 . 8 1 1 A 90 90 LYS H H 90 8.394 8.602 -0.208 1
1 1116 . 8 1 1 A 90 90 LYS HA H 90 4.284 4.252 0.032 1
1 1125 . 8 1 1 A 90 90 LYS C C 90 175.276 177.022 -1.746 1
1 1126 . 8 1 1 A 90 90 LYS CA C 90 55.821 56.066 -0.245 1
1 1127 . 8 1 1 A 90 90 LYS CB C 90 31.860 33.121 -1.261 1
1 1131 . 8 1 1 A 90 90 LYS N N 90 125.894 124.305 1.589 1
1 1132 . 8 1 1 A 91 91 ILE H H 91 8.141 8.762 -0.621 1
1 1133 . 8 1 1 A 91 91 ILE HA H 91 4.165 3.740 0.425 1
1 1143 . 8 1 1 A 91 91 ILE C C 91 175.506 174.453 1.053 1
1 1144 . 8 1 1 A 91 91 ILE CA C 91 59.516 61.825 -2.309 1
1 1145 . 8 1 1 A 91 91 ILE CB C 91 37.991 36.505 1.486 1
1 1149 . 8 1 1 A 91 91 ILE N N 91 124.934 121.553 3.381 1
1 1150 . 8 1 1 A 92 92 ARG H H 92 8.488 7.786 0.702 1
1 1151 . 8 1 1 A 92 92 ARG HA H 92 4.318 4.617 -0.299 1
1 1158 . 8 1 1 A 92 92 ARG C C 92 175.508 174.351 1.157 1
1 1159 . 8 1 1 A 92 92 ARG CA C 92 55.708 55.572 0.136 1
1 1160 . 8 1 1 A 92 92 ARG CB C 92 30.394 33.983 -3.589 1
1 1163 . 8 1 1 A 92 92 ARG N N 92 126.033 122.308 3.725 1
1 1164 . 8 1 1 A 93 93 MET H H 93 8.362 8.856 -0.494 1
1 1165 . 8 1 1 A 93 93 MET C C 93 175.367 176.528 -1.161 1
1 1166 . 8 1 1 A 93 93 MET CA C 93 52.994 53.805 -0.811 1
1 1167 . 8 1 1 A 93 93 MET CB C 93 32.271 32.425 -0.154 1
1 1168 . 8 1 1 A 93 93 MET N N 93 123.282 124.433 -1.151 1
1 1169 . 8 1 1 A 94 94 PRO HA H 94 4.505 4.499 0.006 1
1 1176 . 8 1 1 A 94 94 PRO CA C 94 62.884 63.818 -0.934 1
1 1177 . 8 1 1 A 94 94 PRO CB C 94 31.885 31.796 0.089 1
1 1180 . 8 1 1 A 95 95 THR H H 95 8.180 7.576 0.604 1
1 1181 . 8 1 1 A 95 95 THR HA H 95 4.320 4.570 -0.250 1
1 1186 . 8 1 1 A 95 95 THR C C 95 176.463 172.326 4.137 1
1 1187 . 8 1 1 A 95 95 THR CA C 95 61.391 60.462 0.929 1
1 1188 . 8 1 1 A 95 95 THR CB C 95 69.583 71.000 -1.417 1
1 1190 . 8 1 1 A 95 95 THR N N 95 114.511 113.100 1.411 1
1 1 . 9 1 1 A 2 2 PRO HA H 2 4.279 4.678 -0.399 1
1 8 . 9 1 1 A 2 2 PRO CA C 2 61.757 62.877 -1.120 1
1 9 . 9 1 1 A 2 2 PRO CB C 2 32.181 31.460 0.721 1
1 12 . 9 1 1 A 3 3 ALA H H 3 8.418 8.417 0.001 1
1 13 . 9 1 1 A 3 3 ALA HA H 3 4.242 4.440 -0.198 1
1 17 . 9 1 1 A 3 3 ALA C C 3 171.733 176.597 -4.864 1
1 18 . 9 1 1 A 3 3 ALA CA C 3 53.120 52.114 1.006 1
1 19 . 9 1 1 A 3 3 ALA CB C 3 19.076 21.672 -2.596 1
1 20 . 9 1 1 A 3 3 ALA N N 3 122.573 124.936 -2.363 1
1 21 . 9 1 1 A 4 4 ILE H H 4 8.389 8.452 -0.063 1
1 22 . 9 1 1 A 4 4 ILE HA H 4 3.730 3.828 -0.098 1
1 32 . 9 1 1 A 4 4 ILE C C 4 177.391 175.027 2.364 1
1 33 . 9 1 1 A 4 4 ILE CA C 4 60.039 61.671 -1.632 1
1 34 . 9 1 1 A 4 4 ILE CB C 4 34.720 36.785 -2.065 1
1 38 . 9 1 1 A 4 4 ILE N N 4 119.283 120.933 -1.650 1
1 39 . 9 1 1 A 5 5 GLU H H 5 6.799 7.858 -1.059 1
1 40 . 9 1 1 A 5 5 GLU HA H 5 4.630 4.898 -0.268 1
1 45 . 9 1 1 A 5 5 GLU C C 5 173.009 174.987 -1.978 1
1 46 . 9 1 1 A 5 5 GLU CA C 5 53.474 54.488 -1.014 1
1 47 . 9 1 1 A 5 5 GLU CB C 5 32.091 32.742 -0.651 1
1 49 . 9 1 1 A 5 5 GLU N N 5 122.616 119.357 3.259 1
1 50 . 9 1 1 A 6 6 VAL H H 6 8.899 8.514 0.385 1
1 51 . 9 1 1 A 6 6 VAL HA H 6 3.318 4.475 -1.157 1
1 59 . 9 1 1 A 6 6 VAL C C 6 174.172 176.460 -2.288 1
1 60 . 9 1 1 A 6 6 VAL CA C 6 65.581 63.341 2.240 1
1 61 . 9 1 1 A 6 6 VAL CB C 6 30.939 31.495 -0.556 1
1 64 . 9 1 1 A 6 6 VAL N N 6 122.205 118.393 3.812 1
1 65 . 9 1 1 A 7 7 GLY H H 7 9.478 8.979 0.499 1
1 66 . 9 1 1 A 7 7 GLY HA2 H 7 5.016 3.988 1.028 1
1 67 . 9 1 1 A 7 7 GLY HA3 H 7 3.187 3.990 -0.803 1
1 68 . 9 1 1 A 7 7 GLY C C 7 176.688 173.665 3.023 1
1 69 . 9 1 1 A 7 7 GLY CA C 7 44.580 45.033 -0.453 1
1 70 . 9 1 1 A 7 7 GLY N N 7 115.742 114.810 0.932 1
1 71 . 9 1 1 A 8 8 ARG H H 8 8.128 7.483 0.645 1
1 72 . 9 1 1 A 8 8 ARG HA H 8 4.226 4.603 -0.377 1
1 79 . 9 1 1 A 8 8 ARG C C 8 173.667 175.375 -1.708 1
1 80 . 9 1 1 A 8 8 ARG CA C 8 54.906 54.821 0.085 1
1 81 . 9 1 1 A 8 8 ARG CB C 8 29.331 31.719 -2.388 1
1 84 . 9 1 1 A 8 8 ARG N N 8 120.180 121.550 -1.370 1
1 85 . 9 1 1 A 9 9 ILE H H 9 8.571 8.738 -0.167 1
1 86 . 9 1 1 A 9 9 ILE HA H 9 4.965 4.213 0.752 1
1 96 . 9 1 1 A 9 9 ILE C C 9 175.361 175.375 -0.014 1
1 97 . 9 1 1 A 9 9 ILE CA C 9 61.241 61.861 -0.620 1
1 98 . 9 1 1 A 9 9 ILE CB C 9 36.712 37.061 -0.349 1
1 102 . 9 1 1 A 9 9 ILE N N 9 129.626 126.959 2.667 1
1 103 . 9 1 1 A 10 10 CYS H H 10 9.614 9.199 0.415 1
1 104 . 9 1 1 A 10 10 CYS HA H 10 5.471 5.205 0.266 1
1 107 . 9 1 1 A 10 10 CYS C C 10 177.158 173.986 3.172 1
1 108 . 9 1 1 A 10 10 CYS CA C 10 57.088 57.317 -0.229 1
1 109 . 9 1 1 A 10 10 CYS CB C 10 32.935 29.662 3.273 1
1 110 . 9 1 1 A 10 10 CYS N N 10 126.595 126.955 -0.360 1
1 111 . 9 1 1 A 11 11 VAL H H 11 8.926 8.325 0.601 1
1 112 . 9 1 1 A 11 11 VAL HA H 11 4.351 4.500 -0.149 1
1 120 . 9 1 1 A 11 11 VAL C C 11 172.010 175.266 -3.256 1
1 121 . 9 1 1 A 11 11 VAL CA C 11 60.857 60.111 0.746 1
1 122 . 9 1 1 A 11 11 VAL CB C 11 33.989 34.668 -0.679 1
1 125 . 9 1 1 A 11 11 VAL N N 11 119.765 120.989 -1.224 1
1 126 . 9 1 1 A 12 12 LYS H H 12 8.961 8.787 0.174 1
1 127 . 9 1 1 A 12 12 LYS HA H 12 4.510 4.289 0.221 1
1 136 . 9 1 1 A 12 12 LYS C C 12 175.625 177.006 -1.381 1
1 137 . 9 1 1 A 12 12 LYS CA C 12 56.422 56.401 0.021 1
1 138 . 9 1 1 A 12 12 LYS CB C 12 32.726 32.485 0.241 1
1 142 . 9 1 1 A 12 12 LYS N N 12 127.967 129.015 -1.048 1
1 143 . 9 1 1 A 13 13 VAL H H 13 8.522 8.483 0.039 1
1 144 . 9 1 1 A 13 13 VAL HA H 13 4.518 4.154 0.364 1
1 152 . 9 1 1 A 13 13 VAL C C 13 176.284 176.810 -0.526 1
1 153 . 9 1 1 A 13 13 VAL CA C 13 61.492 63.486 -1.994 1
1 154 . 9 1 1 A 13 13 VAL CB C 13 32.089 32.484 -0.395 1
1 157 . 9 1 1 A 13 13 VAL N N 13 118.593 119.327 -0.734 1
1 158 . 9 1 1 A 14 14 LYS H H 14 7.310 8.258 -0.948 1
1 159 . 9 1 1 A 14 14 LYS HA H 14 4.580 4.520 0.060 1
1 168 . 9 1 1 A 14 14 LYS C C 14 174.043 176.587 -2.544 1
1 169 . 9 1 1 A 14 14 LYS CA C 14 54.090 54.679 -0.589 1
1 170 . 9 1 1 A 14 14 LYS CB C 14 36.489 33.043 3.446 1
1 174 . 9 1 1 A 14 14 LYS N N 14 117.809 118.060 -0.251 1
1 175 . 9 1 1 A 15 15 GLY H H 15 8.548 8.176 0.372 1
1 176 . 9 1 1 A 15 15 GLY HA2 H 15 4.264 3.981 0.283 1
1 177 . 9 1 1 A 15 15 GLY HA3 H 15 3.845 3.986 -0.141 1
1 178 . 9 1 1 A 15 15 GLY C C 15 175.166 173.838 1.328 1
1 179 . 9 1 1 A 15 15 GLY CA C 15 43.993 45.492 -1.499 1
1 180 . 9 1 1 A 15 15 GLY N N 15 108.732 107.401 1.331 1
1 181 . 9 1 1 A 16 16 ARG H H 16 8.618 8.794 -0.176 1
1 182 . 9 1 1 A 16 16 ARG HA H 16 4.082 4.094 -0.012 1
1 189 . 9 1 1 A 16 16 ARG C C 16 174.254 175.824 -1.570 1
1 190 . 9 1 1 A 16 16 ARG CA C 16 57.950 58.330 -0.380 1
1 191 . 9 1 1 A 16 16 ARG CB C 16 29.776 29.873 -0.097 1
1 194 . 9 1 1 A 16 16 ARG N N 16 120.561 121.213 -0.652 1
1 195 . 9 1 1 A 17 17 GLU H H 17 8.935 8.390 0.545 1
1 196 . 9 1 1 A 17 17 GLU HA H 17 4.190 4.489 -0.299 1
1 201 . 9 1 1 A 17 17 GLU C C 17 177.426 175.282 2.144 1
1 202 . 9 1 1 A 17 17 GLU CA C 17 55.386 55.589 -0.203 1
1 203 . 9 1 1 A 17 17 GLU CB C 17 27.412 30.474 -3.062 1
1 205 . 9 1 1 A 17 17 GLU N N 17 115.930 117.863 -1.933 1
1 206 . 9 1 1 A 18 18 ALA H H 18 7.267 7.596 -0.329 1
1 207 . 9 1 1 A 18 18 ALA HA H 18 3.737 4.684 -0.947 1
1 211 . 9 1 1 A 18 18 ALA C C 18 174.969 176.713 -1.744 1
1 212 . 9 1 1 A 18 18 ALA CA C 18 53.272 51.379 1.893 1
1 213 . 9 1 1 A 18 18 ALA CB C 18 17.382 21.002 -3.620 1
1 214 . 9 1 1 A 18 18 ALA N N 18 120.485 122.516 -2.031 1
1 215 . 9 1 1 A 19 19 GLY H H 19 9.424 8.740 0.684 1
1 216 . 9 1 1 A 19 19 GLY HA2 H 19 4.680 4.188 0.492 1
1 217 . 9 1 1 A 19 19 GLY HA3 H 19 3.451 4.191 -0.740 1
1 218 . 9 1 1 A 19 19 GLY C C 19 178.386 173.217 5.169 1
1 219 . 9 1 1 A 19 19 GLY CA C 19 44.905 45.632 -0.727 1
1 220 . 9 1 1 A 19 19 GLY N N 19 112.194 112.057 0.137 1
1 221 . 9 1 1 A 20 20 SER H H 20 8.162 7.707 0.455 1
1 222 . 9 1 1 A 20 20 SER HA H 20 4.861 4.870 -0.009 1
1 225 . 9 1 1 A 20 20 SER C C 20 173.441 173.469 -0.028 1
1 226 . 9 1 1 A 20 20 SER CA C 20 58.253 57.588 0.665 1
1 227 . 9 1 1 A 20 20 SER CB C 20 64.447 65.472 -1.025 1
1 228 . 9 1 1 A 20 20 SER N N 20 115.207 115.651 -0.444 1
1 229 . 9 1 1 A 21 21 LYS H H 21 8.836 8.495 0.341 1
1 230 . 9 1 1 A 21 21 LYS HA H 21 5.369 4.889 0.480 1
1 239 . 9 1 1 A 21 21 LYS C C 21 172.859 175.908 -3.049 1
1 240 . 9 1 1 A 21 21 LYS CA C 21 55.508 55.502 0.006 1
1 241 . 9 1 1 A 21 21 LYS CB C 21 34.795 34.100 0.695 1
1 245 . 9 1 1 A 21 21 LYS N N 21 121.269 124.253 -2.984 1
1 246 . 9 1 1 A 22 22 CYS H H 22 8.905 9.248 -0.343 1
1 247 . 9 1 1 A 22 22 CYS HA H 22 5.527 5.140 0.387 1
1 250 . 9 1 1 A 22 22 CYS C C 22 174.204 173.142 1.062 1
1 251 . 9 1 1 A 22 22 CYS CA C 22 55.584 57.774 -2.190 1
1 252 . 9 1 1 A 22 22 CYS CB C 22 30.941 32.067 -1.126 1
1 253 . 9 1 1 A 22 22 CYS N N 22 110.073 121.547 -11.474 1
1 254 . 9 1 1 A 23 23 VAL H H 23 9.325 9.175 0.150 1
1 255 . 9 1 1 A 23 23 VAL HA H 23 4.761 4.696 0.065 1
1 263 . 9 1 1 A 23 23 VAL C C 23 171.121 175.606 -4.485 1
1 264 . 9 1 1 A 23 23 VAL CA C 23 60.552 61.129 -0.577 1
1 265 . 9 1 1 A 23 23 VAL CB C 23 35.141 33.498 1.643 1
1 268 . 9 1 1 A 23 23 VAL N N 23 119.042 122.743 -3.701 1
1 269 . 9 1 1 A 24 24 ILE H H 24 8.239 8.984 -0.745 1
1 270 . 9 1 1 A 24 24 ILE HA H 24 4.239 4.344 -0.105 1
1 280 . 9 1 1 A 24 24 ILE C C 24 175.805 176.822 -1.017 1
1 281 . 9 1 1 A 24 24 ILE CA C 24 62.552 61.561 0.991 1
1 282 . 9 1 1 A 24 24 ILE CB C 24 36.819 36.983 -0.164 1
1 286 . 9 1 1 A 24 24 ILE N N 24 124.259 127.827 -3.568 1
1 287 . 9 1 1 A 25 25 VAL H H 25 9.205 8.748 0.457 1
1 288 . 9 1 1 A 25 25 VAL HA H 25 4.689 4.371 0.318 1
1 296 . 9 1 1 A 25 25 VAL C C 25 175.650 175.384 0.266 1
1 297 . 9 1 1 A 25 25 VAL CA C 25 60.947 62.099 -1.152 1
1 298 . 9 1 1 A 25 25 VAL CB C 25 32.986 33.069 -0.083 1
1 301 . 9 1 1 A 25 25 VAL N N 25 121.805 122.495 -0.690 1
1 302 . 9 1 1 A 26 26 ASP H H 26 8.103 7.373 0.730 1
1 303 . 9 1 1 A 26 26 ASP HA H 26 4.771 5.138 -0.367 1
1 306 . 9 1 1 A 26 26 ASP C C 26 174.343 173.709 0.634 1
1 307 . 9 1 1 A 26 26 ASP CA C 26 53.671 53.120 0.551 1
1 308 . 9 1 1 A 26 26 ASP CB C 26 43.563 44.464 -0.901 1
1 309 . 9 1 1 A 26 26 ASP N N 26 118.459 119.996 -1.537 1
1 310 . 9 1 1 A 27 27 ILE H H 27 9.092 8.771 0.321 1
1 311 . 9 1 1 A 27 27 ILE HA H 27 4.273 4.634 -0.361 1
1 321 . 9 1 1 A 27 27 ILE C C 27 173.976 175.464 -1.488 1
1 322 . 9 1 1 A 27 27 ILE CA C 27 60.306 60.547 -0.241 1
1 323 . 9 1 1 A 27 27 ILE CB C 27 38.339 39.963 -1.624 1
1 327 . 9 1 1 A 27 27 ILE N N 27 124.375 121.189 3.186 1
1 328 . 9 1 1 A 28 28 ILE H H 28 8.055 8.817 -0.762 1
1 329 . 9 1 1 A 28 28 ILE HA H 28 3.986 4.105 -0.119 1
1 339 . 9 1 1 A 28 28 ILE C C 28 174.733 175.884 -1.151 1
1 340 . 9 1 1 A 28 28 ILE CA C 28 62.414 63.018 -0.604 1
1 341 . 9 1 1 A 28 28 ILE CB C 28 37.450 38.661 -1.211 1
1 345 . 9 1 1 A 28 28 ILE N N 28 127.525 129.134 -1.609 1
1 346 . 9 1 1 A 29 29 ASP H H 29 8.438 8.376 0.062 1
1 347 . 9 1 1 A 29 29 ASP HA H 29 4.522 5.100 -0.578 1
1 350 . 9 1 1 A 29 29 ASP C C 29 175.289 175.539 -0.250 1
1 351 . 9 1 1 A 29 29 ASP CA C 29 53.316 52.503 0.813 1
1 352 . 9 1 1 A 29 29 ASP CB C 29 39.450 44.423 -4.973 1
1 353 . 9 1 1 A 29 29 ASP N N 29 118.886 119.068 -0.182 1
1 354 . 9 1 1 A 30 30 ASP H H 30 8.140 8.627 -0.487 1
1 355 . 9 1 1 A 30 30 ASP HA H 30 4.375 4.645 -0.270 1
1 358 . 9 1 1 A 30 30 ASP C C 30 174.332 176.457 -2.125 1
1 359 . 9 1 1 A 30 30 ASP CA C 30 56.171 55.625 0.546 1
1 360 . 9 1 1 A 30 30 ASP CB C 30 40.302 40.917 -0.615 1
1 361 . 9 1 1 A 30 30 ASP N N 30 112.219 120.972 -8.753 1
1 362 . 9 1 1 A 31 31 ASN H H 31 8.866 8.515 0.351 1
1 363 . 9 1 1 A 31 31 ASN HA H 31 4.805 4.963 -0.158 1
1 366 . 9 1 1 A 31 31 ASN C C 31 175.926 174.542 1.384 1
1 367 . 9 1 1 A 31 31 ASN CA C 31 54.015 54.644 -0.629 1
1 368 . 9 1 1 A 31 31 ASN CB C 31 42.366 40.862 1.504 1
1 369 . 9 1 1 A 31 31 ASN N N 31 114.650 117.939 -3.289 1
1 370 . 9 1 1 A 32 32 PHE H H 32 8.481 8.120 0.361 1
1 371 . 9 1 1 A 32 32 PHE HA H 32 5.279 4.924 0.355 1
1 376 . 9 1 1 A 32 32 PHE C C 32 173.451 175.240 -1.789 1
1 377 . 9 1 1 A 32 32 PHE CA C 32 57.629 57.354 0.275 1
1 378 . 9 1 1 A 32 32 PHE CB C 32 42.418 38.798 3.620 1
1 379 . 9 1 1 A 32 32 PHE N N 32 117.648 116.807 0.841 1
1 380 . 9 1 1 A 33 33 VAL H H 33 8.680 8.905 -0.225 1
1 381 . 9 1 1 A 33 33 VAL HA H 33 4.720 4.949 -0.229 1
1 389 . 9 1 1 A 33 33 VAL C C 33 174.458 173.936 0.522 1
1 390 . 9 1 1 A 33 33 VAL CA C 33 58.331 59.998 -1.667 1
1 391 . 9 1 1 A 33 33 VAL CB C 33 34.410 33.989 0.421 1
1 394 . 9 1 1 A 33 33 VAL N N 33 110.814 119.208 -8.394 1
1 395 . 9 1 1 A 34 34 LEU H H 34 8.696 8.542 0.154 1
1 396 . 9 1 1 A 34 34 LEU HA H 34 4.871 4.907 -0.036 1
1 406 . 9 1 1 A 34 34 LEU C C 34 172.716 175.749 -3.033 1
1 407 . 9 1 1 A 34 34 LEU CA C 34 53.776 53.736 0.040 1
1 408 . 9 1 1 A 34 34 LEU CB C 34 44.582 43.447 1.135 1
1 412 . 9 1 1 A 34 34 LEU N N 34 123.160 125.463 -2.303 1
1 413 . 9 1 1 A 35 35 VAL H H 35 8.460 8.619 -0.159 1
1 414 . 9 1 1 A 35 35 VAL HA H 35 5.674 5.283 0.391 1
1 422 . 9 1 1 A 35 35 VAL C C 35 176.009 174.526 1.483 1
1 423 . 9 1 1 A 35 35 VAL CA C 35 57.423 59.765 -2.342 1
1 424 . 9 1 1 A 35 35 VAL CB C 35 35.541 34.237 1.304 1
1 427 . 9 1 1 A 35 35 VAL N N 35 119.184 122.190 -3.006 1
1 428 . 9 1 1 A 36 36 THR H H 36 8.362 8.559 -0.197 1
1 429 . 9 1 1 A 36 36 THR HA H 36 4.535 4.949 -0.414 1
1 434 . 9 1 1 A 36 36 THR C C 36 173.498 172.579 0.919 1
1 435 . 9 1 1 A 36 36 THR CA C 36 59.643 59.766 -0.123 1
1 436 . 9 1 1 A 36 36 THR CB C 36 70.439 71.513 -1.074 1
1 438 . 9 1 1 A 36 36 THR N N 36 109.151 117.446 -8.295 1
1 439 . 9 1 1 A 37 37 GLY H H 37 7.571 8.780 -1.209 1
1 440 . 9 1 1 A 37 37 GLY C C 37 172.460 172.307 0.153 1
1 441 . 9 1 1 A 37 37 GLY CA C 37 51.421 44.167 7.254 1
1 442 . 9 1 1 A 37 37 GLY N N 37 115.474 112.959 2.515 1
1 443 . 9 1 1 A 38 38 PRO HA H 38 5.235 5.032 0.203 1
1 450 . 9 1 1 A 38 38 PRO CA C 38 60.459 63.203 -2.744 1
1 451 . 9 1 1 A 38 38 PRO CB C 38 35.517 32.197 3.320 1
1 454 . 9 1 1 A 39 39 LYS H H 39 9.463 8.378 1.085 1
1 455 . 9 1 1 A 39 39 LYS HA H 39 3.545 4.024 -0.479 1
1 464 . 9 1 1 A 39 39 LYS C C 39 179.019 177.802 1.217 1
1 465 . 9 1 1 A 39 39 LYS CA C 39 60.344 59.287 1.057 1
1 466 . 9 1 1 A 39 39 LYS CB C 39 31.826 32.115 -0.289 1
1 470 . 9 1 1 A 39 39 LYS N N 39 127.869 123.777 4.092 1
1 471 . 9 1 1 A 40 40 ASP H H 40 9.035 8.424 0.611 1
1 472 . 9 1 1 A 40 40 ASP HA H 40 4.375 4.572 -0.197 1
1 475 . 9 1 1 A 40 40 ASP C C 40 177.615 178.369 -0.754 1
1 476 . 9 1 1 A 40 40 ASP CA C 40 55.080 56.526 -1.446 1
1 477 . 9 1 1 A 40 40 ASP CB C 40 39.209 41.144 -1.935 1
1 478 . 9 1 1 A 40 40 ASP N N 40 115.744 118.626 -2.882 1
1 479 . 9 1 1 A 41 41 ILE H H 41 7.739 7.893 -0.154 1
1 480 . 9 1 1 A 41 41 ILE HA H 41 4.218 3.993 0.225 1
1 490 . 9 1 1 A 41 41 ILE C C 41 174.826 177.647 -2.821 1
1 491 . 9 1 1 A 41 41 ILE CA C 41 61.664 63.760 -2.096 1
1 492 . 9 1 1 A 41 41 ILE CB C 41 37.453 38.898 -1.445 1
1 496 . 9 1 1 A 41 41 ILE N N 41 116.447 121.018 -4.571 1
1 497 . 9 1 1 A 42 42 THR H H 42 7.766 8.402 -0.636 1
1 498 . 9 1 1 A 42 42 THR HA H 42 4.734 4.497 0.237 1
1 503 . 9 1 1 A 42 42 THR C C 42 175.827 175.335 0.492 1
1 504 . 9 1 1 A 42 42 THR CA C 42 60.110 62.881 -2.771 1
1 505 . 9 1 1 A 42 42 THR CB C 42 71.791 70.987 0.804 1
1 507 . 9 1 1 A 42 42 THR N N 42 104.054 111.052 -6.998 1
1 508 . 9 1 1 A 43 43 GLY H H 43 7.844 8.259 -0.415 1
1 509 . 9 1 1 A 43 43 GLY HA2 H 43 4.461 3.940 0.521 1
1 510 . 9 1 1 A 43 43 GLY HA3 H 43 3.836 3.941 -0.105 1
1 511 . 9 1 1 A 43 43 GLY C C 43 175.208 174.543 0.665 1
1 512 . 9 1 1 A 43 43 GLY CA C 43 44.826 46.890 -2.064 1
1 513 . 9 1 1 A 43 43 GLY N N 43 109.006 109.896 -0.890 1
1 514 . 9 1 1 A 44 44 VAL H H 44 7.289 7.801 -0.512 1
1 515 . 9 1 1 A 44 44 VAL HA H 44 3.945 4.250 -0.305 1
1 523 . 9 1 1 A 44 44 VAL C C 44 173.149 175.158 -2.009 1
1 524 . 9 1 1 A 44 44 VAL CA C 44 62.902 61.539 1.363 1
1 525 . 9 1 1 A 44 44 VAL CB C 44 31.715 33.520 -1.805 1
1 528 . 9 1 1 A 44 44 VAL N N 44 120.903 120.000 0.903 1
1 529 . 9 1 1 A 45 45 LYS H H 45 8.308 8.464 -0.156 1
1 530 . 9 1 1 A 45 45 LYS HA H 45 4.190 4.348 -0.158 1
1 539 . 9 1 1 A 45 45 LYS C C 45 175.177 176.124 -0.947 1
1 540 . 9 1 1 A 45 45 LYS CA C 45 56.355 56.377 -0.022 1
1 541 . 9 1 1 A 45 45 LYS CB C 45 33.385 33.268 0.117 1
1 545 . 9 1 1 A 45 45 LYS N N 45 128.406 128.187 0.219 1
1 546 . 9 1 1 A 46 46 ARG H H 46 8.080 8.511 -0.431 1
1 547 . 9 1 1 A 46 46 ARG HA H 46 5.720 4.948 0.772 1
1 554 . 9 1 1 A 46 46 ARG C C 46 173.780 175.165 -1.385 1
1 555 . 9 1 1 A 46 46 ARG CA C 46 54.888 55.358 -0.470 1
1 556 . 9 1 1 A 46 46 ARG CB C 46 29.630 32.267 -2.637 1
1 559 . 9 1 1 A 46 46 ARG N N 46 120.129 125.301 -5.172 1
1 560 . 9 1 1 A 47 47 ARG H H 47 8.452 8.546 -0.094 1
1 561 . 9 1 1 A 47 47 ARG HA H 47 4.732 4.675 0.057 1
1 568 . 9 1 1 A 47 47 ARG C C 47 176.138 174.545 1.593 1
1 569 . 9 1 1 A 47 47 ARG CA C 47 54.319 55.218 -0.899 1
1 570 . 9 1 1 A 47 47 ARG CB C 47 33.746 34.023 -0.277 1
1 573 . 9 1 1 A 47 47 ARG N N 47 126.780 123.452 3.328 1
1 574 . 9 1 1 A 48 48 ARG H H 48 8.546 8.261 0.285 1
1 575 . 9 1 1 A 48 48 ARG HA H 48 5.111 4.683 0.428 1
1 582 . 9 1 1 A 48 48 ARG C C 48 174.339 175.295 -0.956 1
1 583 . 9 1 1 A 48 48 ARG CA C 48 55.524 56.148 -0.624 1
1 584 . 9 1 1 A 48 48 ARG CB C 48 31.132 30.776 0.356 1
1 587 . 9 1 1 A 48 48 ARG N N 48 121.931 122.726 -0.795 1
1 588 . 9 1 1 A 49 49 VAL H H 49 9.485 8.800 0.685 1
1 589 . 9 1 1 A 49 49 VAL HA H 49 4.651 4.641 0.010 1
1 597 . 9 1 1 A 49 49 VAL C C 49 176.112 175.277 0.835 1
1 598 . 9 1 1 A 49 49 VAL CA C 49 60.040 60.838 -0.798 1
1 599 . 9 1 1 A 49 49 VAL CB C 49 36.427 34.846 1.581 1
1 602 . 9 1 1 A 49 49 VAL N N 49 122.891 125.126 -2.235 1
1 603 . 9 1 1 A 50 50 ASN H H 50 8.569 8.719 -0.150 1
1 604 . 9 1 1 A 50 50 ASN HA H 50 4.213 4.565 -0.352 1
1 607 . 9 1 1 A 50 50 ASN C C 50 173.258 176.891 -3.633 1
1 608 . 9 1 1 A 50 50 ASN CA C 50 52.732 53.836 -1.104 1
1 609 . 9 1 1 A 50 50 ASN CB C 50 38.173 39.016 -0.843 1
1 610 . 9 1 1 A 50 50 ASN N N 50 125.736 124.460 1.276 1
1 611 . 9 1 1 A 51 51 ILE H H 51 8.601 8.259 0.342 1
1 612 . 9 1 1 A 51 51 ILE HA H 51 3.632 4.058 -0.426 1
1 622 . 9 1 1 A 51 51 ILE C C 51 176.785 176.304 0.481 1
1 623 . 9 1 1 A 51 51 ILE CA C 51 65.046 62.662 2.384 1
1 624 . 9 1 1 A 51 51 ILE CB C 51 38.532 37.159 1.373 1
1 628 . 9 1 1 A 51 51 ILE N N 51 126.454 121.416 5.038 1
1 629 . 9 1 1 A 52 52 LEU H H 52 8.448 7.811 0.637 1
1 630 . 9 1 1 A 52 52 LEU HA H 52 4.290 4.552 -0.262 1
1 640 . 9 1 1 A 52 52 LEU C C 52 176.765 178.132 -1.367 1
1 641 . 9 1 1 A 52 52 LEU CA C 52 55.880 54.108 1.772 1
1 642 . 9 1 1 A 52 52 LEU CB C 52 40.983 43.050 -2.067 1
1 646 . 9 1 1 A 52 52 LEU N N 52 118.365 123.713 -5.348 1
1 647 . 9 1 1 A 53 53 HIS H H 53 8.358 7.652 0.706 1
1 648 . 9 1 1 A 53 53 HIS HA H 53 4.621 4.440 0.181 1
1 651 . 9 1 1 A 53 53 HIS C C 53 178.018 174.885 3.133 1
1 652 . 9 1 1 A 53 53 HIS CA C 53 53.996 57.242 -3.246 1
1 653 . 9 1 1 A 53 53 HIS CB C 53 30.306 31.004 -0.698 1
1 654 . 9 1 1 A 53 53 HIS N N 53 116.672 118.993 -2.321 1
1 655 . 9 1 1 A 54 54 LEU H H 54 7.693 7.786 -0.093 1
1 656 . 9 1 1 A 54 54 LEU HA H 54 5.222 4.688 0.534 1
1 666 . 9 1 1 A 54 54 LEU C C 54 173.609 174.226 -0.617 1
1 667 . 9 1 1 A 54 54 LEU CA C 54 52.932 53.724 -0.792 1
1 668 . 9 1 1 A 54 54 LEU CB C 54 45.943 45.408 0.535 1
1 672 . 9 1 1 A 54 54 LEU N N 54 119.311 116.346 2.965 1
1 673 . 9 1 1 A 55 55 GLU H H 55 9.073 8.809 0.264 1
1 674 . 9 1 1 A 55 55 GLU C C 55 175.102 173.999 1.103 1
1 675 . 9 1 1 A 55 55 GLU CA C 55 52.073 52.873 -0.800 1
1 676 . 9 1 1 A 55 55 GLU CB C 55 31.958 31.141 0.817 1
1 677 . 9 1 1 A 55 55 GLU N N 55 120.139 118.987 1.152 1
1 678 . 9 1 1 A 56 56 PRO HA H 56 4.903 4.593 0.310 1
1 685 . 9 1 1 A 56 56 PRO CA C 56 63.121 62.992 0.129 1
1 686 . 9 1 1 A 56 56 PRO CB C 56 32.274 32.359 -0.085 1
1 689 . 9 1 1 A 57 57 THR H H 57 8.502 8.176 0.326 1
1 690 . 9 1 1 A 57 57 THR HA H 57 4.932 4.588 0.344 1
1 695 . 9 1 1 A 57 57 THR C C 57 175.894 174.875 1.019 1
1 696 . 9 1 1 A 57 57 THR CA C 57 60.602 60.356 0.246 1
1 697 . 9 1 1 A 57 57 THR CB C 57 71.821 71.048 0.773 1
1 699 . 9 1 1 A 57 57 THR N N 57 113.388 112.882 0.506 1
1 700 . 9 1 1 A 58 58 ASP H H 58 8.605 8.954 -0.349 1
1 701 . 9 1 1 A 58 58 ASP HA H 58 4.445 4.480 -0.035 1
1 704 . 9 1 1 A 58 58 ASP C C 58 173.673 175.690 -2.017 1
1 705 . 9 1 1 A 58 58 ASP CA C 58 53.743 56.244 -2.501 1
1 706 . 9 1 1 A 58 58 ASP CB C 58 39.622 41.481 -1.859 1
1 707 . 9 1 1 A 58 58 ASP N N 58 115.340 121.249 -5.909 1
1 708 . 9 1 1 A 59 59 LYS H H 59 8.544 7.641 0.903 1
1 709 . 9 1 1 A 59 59 LYS HA H 59 4.646 4.820 -0.174 1
1 718 . 9 1 1 A 59 59 LYS C C 59 174.972 175.119 -0.147 1
1 719 . 9 1 1 A 59 59 LYS CA C 59 54.336 54.669 -0.333 1
1 720 . 9 1 1 A 59 59 LYS CB C 59 34.626 36.526 -1.900 1
1 724 . 9 1 1 A 59 59 LYS N N 59 119.488 117.234 2.254 1
1 725 . 9 1 1 A 60 60 LYS H H 60 8.227 9.007 -0.780 1
1 726 . 9 1 1 A 60 60 LYS HA H 60 4.999 5.003 -0.004 1
1 735 . 9 1 1 A 60 60 LYS C C 60 174.256 175.085 -0.829 1
1 736 . 9 1 1 A 60 60 LYS CA C 60 54.465 54.490 -0.025 1
1 737 . 9 1 1 A 60 60 LYS CB C 60 36.153 36.342 -0.189 1
1 741 . 9 1 1 A 60 60 LYS N N 60 121.112 119.076 2.036 1
1 742 . 9 1 1 A 61 61 ILE H H 61 8.527 8.997 -0.470 1
1 743 . 9 1 1 A 61 61 ILE HA H 61 4.724 4.867 -0.143 1
1 753 . 9 1 1 A 61 61 ILE C C 61 174.330 174.238 0.092 1
1 754 . 9 1 1 A 61 61 ILE CA C 61 58.831 59.903 -1.072 1
1 755 . 9 1 1 A 61 61 ILE CB C 61 41.357 39.702 1.655 1
1 759 . 9 1 1 A 61 61 ILE N N 61 116.027 119.110 -3.083 1
1 760 . 9 1 1 A 62 62 ASP H H 62 8.513 8.944 -0.431 1
1 761 . 9 1 1 A 62 62 ASP HA H 62 4.732 4.811 -0.079 1
1 764 . 9 1 1 A 62 62 ASP C C 62 174.224 176.043 -1.819 1
1 765 . 9 1 1 A 62 62 ASP CA C 62 53.163 53.743 -0.580 1
1 766 . 9 1 1 A 62 62 ASP CB C 62 39.686 40.823 -1.137 1
1 767 . 9 1 1 A 62 62 ASP N N 62 121.643 127.404 -5.761 1
1 768 . 9 1 1 A 63 63 ILE H H 63 7.389 8.509 -1.120 1
1 769 . 9 1 1 A 63 63 ILE HA H 63 4.641 5.134 -0.493 1
1 779 . 9 1 1 A 63 63 ILE C C 63 174.484 175.258 -0.774 1
1 780 . 9 1 1 A 63 63 ILE CA C 63 58.244 58.752 -0.508 1
1 781 . 9 1 1 A 63 63 ILE CB C 63 41.811 41.676 0.135 1
1 785 . 9 1 1 A 63 63 ILE N N 63 114.509 120.337 -5.828 1
1 786 . 9 1 1 A 64 64 GLN H H 64 8.529 8.505 0.024 1
1 787 . 9 1 1 A 64 64 GLN HA H 64 4.390 4.848 -0.458 1
1 792 . 9 1 1 A 64 64 GLN C C 64 174.409 174.794 -0.385 1
1 793 . 9 1 1 A 64 64 GLN CA C 64 53.860 54.079 -0.219 1
1 794 . 9 1 1 A 64 64 GLN CB C 64 30.086 31.779 -1.693 1
1 796 . 9 1 1 A 64 64 GLN N N 64 119.145 120.234 -1.089 1
1 797 . 9 1 1 A 65 65 LYS H H 65 8.323 8.551 -0.228 1
1 798 . 9 1 1 A 65 65 LYS HA H 65 4.132 4.023 0.109 1
1 807 . 9 1 1 A 65 65 LYS C C 65 174.920 177.393 -2.473 1
1 808 . 9 1 1 A 65 65 LYS CA C 65 57.603 58.102 -0.499 1
1 809 . 9 1 1 A 65 65 LYS CB C 65 32.341 32.193 0.148 1
1 813 . 9 1 1 A 65 65 LYS N N 65 119.780 122.830 -3.050 1
1 814 . 9 1 1 A 66 66 GLY H H 66 9.313 9.002 0.311 1
1 815 . 9 1 1 A 66 66 GLY HA2 H 66 4.093 3.952 0.141 1
1 816 . 9 1 1 A 66 66 GLY HA3 H 66 3.297 3.953 -0.656 1
1 817 . 9 1 1 A 66 66 GLY C C 66 177.892 174.828 3.064 1
1 818 . 9 1 1 A 66 66 GLY CA C 66 44.953 45.519 -0.566 1
1 819 . 9 1 1 A 66 66 GLY N N 66 112.449 114.770 -2.321 1
1 820 . 9 1 1 A 67 67 ALA H H 67 7.545 8.114 -0.569 1
1 821 . 9 1 1 A 67 67 ALA HA H 67 4.081 4.462 -0.381 1
1 825 . 9 1 1 A 67 67 ALA C C 67 173.517 178.221 -4.704 1
1 826 . 9 1 1 A 67 67 ALA CA C 67 52.802 52.306 0.496 1
1 827 . 9 1 1 A 67 67 ALA CB C 67 20.424 20.046 0.378 1
1 828 . 9 1 1 A 67 67 ALA N N 67 121.516 124.266 -2.750 1
1 829 . 9 1 1 A 68 68 SER H H 68 8.904 8.632 0.272 1
1 830 . 9 1 1 A 68 68 SER HA H 68 4.261 5.003 -0.742 1
1 833 . 9 1 1 A 68 68 SER C C 68 177.019 175.261 1.758 1
1 834 . 9 1 1 A 68 68 SER CA C 68 57.321 56.252 1.069 1
1 835 . 9 1 1 A 68 68 SER CB C 68 65.064 66.568 -1.504 1
1 836 . 9 1 1 A 68 68 SER N N 68 119.470 114.767 4.703 1
1 837 . 9 1 1 A 69 69 ASP H H 69 9.379 9.040 0.339 1
1 838 . 9 1 1 A 69 69 ASP HA H 69 4.184 4.281 -0.097 1
1 841 . 9 1 1 A 69 69 ASP C C 69 173.831 177.816 -3.985 1
1 842 . 9 1 1 A 69 69 ASP CA C 69 57.843 57.627 0.216 1
1 843 . 9 1 1 A 69 69 ASP CB C 69 39.367 40.601 -1.234 1
1 844 . 9 1 1 A 69 69 ASP N N 69 122.205 121.514 0.691 1
1 845 . 9 1 1 A 70 70 GLU H H 70 8.454 8.312 0.142 1
1 846 . 9 1 1 A 70 70 GLU HA H 70 3.966 4.043 -0.077 1
1 851 . 9 1 1 A 70 70 GLU C C 70 177.979 178.687 -0.708 1
1 852 . 9 1 1 A 70 70 GLU CA C 70 59.987 59.579 0.408 1
1 853 . 9 1 1 A 70 70 GLU CB C 70 28.804 29.078 -0.274 1
1 855 . 9 1 1 A 70 70 GLU N N 70 118.426 118.985 -0.559 1
1 856 . 9 1 1 A 71 71 GLU H H 71 7.835 7.979 -0.144 1
1 857 . 9 1 1 A 71 71 GLU HA H 71 4.050 4.195 -0.145 1
1 862 . 9 1 1 A 71 71 GLU C C 71 178.486 179.011 -0.525 1
1 863 . 9 1 1 A 71 71 GLU CA C 71 58.998 58.854 0.144 1
1 864 . 9 1 1 A 71 71 GLU CB C 71 29.068 29.225 -0.157 1
1 866 . 9 1 1 A 71 71 GLU N N 71 122.166 120.483 1.683 1
1 867 . 9 1 1 A 72 72 VAL H H 72 8.387 8.049 0.338 1
1 868 . 9 1 1 A 72 72 VAL HA H 72 3.295 3.512 -0.217 1
1 876 . 9 1 1 A 72 72 VAL C C 72 178.603 178.097 0.506 1
1 877 . 9 1 1 A 72 72 VAL CA C 72 66.989 67.037 -0.048 1
1 878 . 9 1 1 A 72 72 VAL CB C 72 31.242 31.288 -0.046 1
1 881 . 9 1 1 A 72 72 VAL N N 72 118.871 121.465 -2.594 1
1 882 . 9 1 1 A 73 73 LYS H H 73 8.619 7.956 0.663 1
1 883 . 9 1 1 A 73 73 LYS HA H 73 3.734 3.949 -0.215 1
1 892 . 9 1 1 A 73 73 LYS C C 73 177.118 178.978 -1.860 1
1 893 . 9 1 1 A 73 73 LYS CA C 73 60.695 59.996 0.699 1
1 894 . 9 1 1 A 73 73 LYS CB C 73 32.320 32.163 0.157 1
1 898 . 9 1 1 A 73 73 LYS N N 73 118.351 118.648 -0.297 1
1 899 . 9 1 1 A 74 74 LYS H H 74 7.886 7.473 0.413 1
1 900 . 9 1 1 A 74 74 LYS HA H 74 4.133 4.022 0.111 1
1 909 . 9 1 1 A 74 74 LYS C C 74 178.306 178.902 -0.596 1
1 910 . 9 1 1 A 74 74 LYS CA C 74 58.954 59.545 -0.591 1
1 911 . 9 1 1 A 74 74 LYS CB C 74 31.974 32.475 -0.501 1
1 915 . 9 1 1 A 74 74 LYS N N 74 118.808 120.155 -1.347 1
1 916 . 9 1 1 A 75 75 LYS H H 75 8.118 8.011 0.107 1
1 917 . 9 1 1 A 75 75 LYS HA H 75 4.228 4.462 -0.234 1
1 926 . 9 1 1 A 75 75 LYS C C 75 178.795 178.901 -0.106 1
1 927 . 9 1 1 A 75 75 LYS CA C 75 57.158 58.882 -1.724 1
1 928 . 9 1 1 A 75 75 LYS CB C 75 31.382 31.707 -0.325 1
1 932 . 9 1 1 A 75 75 LYS N N 75 118.374 118.936 -0.562 1
1 933 . 9 1 1 A 76 76 LEU H H 76 8.778 8.118 0.660 1
1 934 . 9 1 1 A 76 76 LEU HA H 76 3.931 4.093 -0.162 1
1 944 . 9 1 1 A 76 76 LEU C C 76 180.241 178.297 1.944 1
1 945 . 9 1 1 A 76 76 LEU CA C 76 58.203 57.811 0.392 1
1 946 . 9 1 1 A 76 76 LEU CB C 76 42.015 42.093 -0.078 1
1 950 . 9 1 1 A 76 76 LEU N N 76 121.253 121.313 -0.060 1
1 951 . 9 1 1 A 77 77 GLU H H 77 7.951 7.909 0.042 1
1 952 . 9 1 1 A 77 77 GLU HA H 77 4.227 3.867 0.360 1
1 957 . 9 1 1 A 77 77 GLU C C 77 178.403 178.936 -0.533 1
1 958 . 9 1 1 A 77 77 GLU CA C 77 58.892 60.034 -1.142 1
1 959 . 9 1 1 A 77 77 GLU CB C 77 28.925 29.147 -0.222 1
1 961 . 9 1 1 A 77 77 GLU N N 77 119.306 119.022 0.284 1
1 962 . 9 1 1 A 78 78 GLU H H 78 8.595 8.116 0.479 1
1 963 . 9 1 1 A 78 78 GLU HA H 78 4.099 4.038 0.061 1
1 968 . 9 1 1 A 78 78 GLU C C 78 180.586 178.557 2.029 1
1 969 . 9 1 1 A 78 78 GLU CA C 78 58.850 59.407 -0.557 1
1 970 . 9 1 1 A 78 78 GLU CB C 78 29.878 29.296 0.582 1
1 972 . 9 1 1 A 78 78 GLU N N 78 120.814 118.575 2.239 1
1 973 . 9 1 1 A 79 79 SER H H 79 7.519 7.864 -0.345 1
1 974 . 9 1 1 A 79 79 SER HA H 79 4.592 4.489 0.103 1
1 977 . 9 1 1 A 79 79 SER C C 79 177.761 173.757 4.004 1
1 978 . 9 1 1 A 79 79 SER CA C 79 58.324 58.420 -0.096 1
1 979 . 9 1 1 A 79 79 SER CB C 79 63.796 63.308 0.488 1
1 980 . 9 1 1 A 79 79 SER N N 79 110.823 112.032 -1.209 1
1 981 . 9 1 1 A 80 80 ASN H H 80 8.126 8.233 -0.107 1
1 982 . 9 1 1 A 80 80 ASN HA H 80 4.700 4.447 0.253 1
1 985 . 9 1 1 A 80 80 ASN C C 80 172.562 175.692 -3.130 1
1 986 . 9 1 1 A 80 80 ASN CA C 80 53.603 54.050 -0.447 1
1 987 . 9 1 1 A 80 80 ASN CB C 80 36.754 37.363 -0.609 1
1 988 . 9 1 1 A 80 80 ASN N N 80 117.027 118.315 -1.288 1
1 989 . 9 1 1 A 81 81 LEU H H 81 8.526 7.769 0.757 1
1 990 . 9 1 1 A 81 81 LEU HA H 81 4.767 4.569 0.198 1
1 1000 . 9 1 1 A 81 81 LEU C C 81 175.743 177.996 -2.253 1
1 1001 . 9 1 1 A 81 81 LEU CA C 81 54.008 53.874 0.134 1
1 1002 . 9 1 1 A 81 81 LEU CB C 81 45.026 42.798 2.228 1
1 1006 . 9 1 1 A 81 81 LEU N N 81 114.910 119.999 -5.089 1
1 1007 . 9 1 1 A 82 82 THR H H 82 7.848 7.694 0.154 1
1 1008 . 9 1 1 A 82 82 THR HA H 82 4.117 3.912 0.205 1
1 1013 . 9 1 1 A 82 82 THR C C 82 176.676 176.393 0.283 1
1 1014 . 9 1 1 A 82 82 THR CA C 82 67.474 66.496 0.978 1
1 1015 . 9 1 1 A 82 82 THR CB C 82 68.235 68.601 -0.366 1
1 1017 . 9 1 1 A 82 82 THR N N 82 117.802 114.173 3.629 1
1 1018 . 9 1 1 A 83 83 GLU H H 83 8.335 8.314 0.021 1
1 1019 . 9 1 1 A 83 83 GLU HA H 83 3.915 3.999 -0.084 1
1 1024 . 9 1 1 A 83 83 GLU C C 83 175.177 178.503 -3.326 1
1 1025 . 9 1 1 A 83 83 GLU CA C 83 59.541 59.643 -0.102 1
1 1026 . 9 1 1 A 83 83 GLU CB C 83 27.819 29.484 -1.665 1
1 1028 . 9 1 1 A 83 83 GLU N N 83 118.314 121.528 -3.214 1
1 1029 . 9 1 1 A 84 84 TYR H H 84 8.043 8.385 -0.342 1
1 1030 . 9 1 1 A 84 84 TYR HA H 84 4.111 4.151 -0.040 1
1 1037 . 9 1 1 A 84 84 TYR C C 84 179.081 178.299 0.782 1
1 1038 . 9 1 1 A 84 84 TYR CA C 84 60.788 61.126 -0.338 1
1 1039 . 9 1 1 A 84 84 TYR CB C 84 37.753 38.647 -0.894 1
1 1040 . 9 1 1 A 84 84 TYR N N 84 121.386 121.269 0.117 1
1 1041 . 9 1 1 A 85 85 MET H H 85 8.101 7.839 0.262 1
1 1042 . 9 1 1 A 85 85 MET HA H 85 4.259 4.252 0.007 1
1 1047 . 9 1 1 A 85 85 MET C C 85 178.628 178.354 0.274 1
1 1048 . 9 1 1 A 85 85 MET CA C 85 55.244 58.134 -2.890 1
1 1049 . 9 1 1 A 85 85 MET CB C 85 29.597 32.116 -2.519 1
1 1051 . 9 1 1 A 85 85 MET N N 85 116.695 118.642 -1.947 1
1 1052 . 9 1 1 A 86 86 LYS H H 86 7.301 7.765 -0.464 1
1 1053 . 9 1 1 A 86 86 LYS HA H 86 3.937 4.122 -0.185 1
1 1062 . 9 1 1 A 86 86 LYS C C 86 175.934 177.887 -1.953 1
1 1063 . 9 1 1 A 86 86 LYS CA C 86 57.318 59.408 -2.090 1
1 1064 . 9 1 1 A 86 86 LYS CB C 86 32.956 32.078 0.878 1
1 1068 . 9 1 1 A 86 86 LYS N N 86 114.957 119.227 -4.270 1
1 1069 . 9 1 1 A 87 87 GLU H H 87 7.031 7.462 -0.431 1
1 1070 . 9 1 1 A 87 87 GLU HA H 87 4.185 4.112 0.073 1
1 1075 . 9 1 1 A 87 87 GLU C C 87 176.247 175.906 0.341 1
1 1076 . 9 1 1 A 87 87 GLU CA C 87 55.780 56.722 -0.942 1
1 1077 . 9 1 1 A 87 87 GLU CB C 87 29.358 29.889 -0.531 1
1 1079 . 9 1 1 A 87 87 GLU N N 87 119.315 119.655 -0.340 1
1 1080 . 9 1 1 A 88 88 LYS H H 88 8.466 8.660 -0.194 1
1 1081 . 9 1 1 A 88 88 LYS HA H 88 4.568 4.772 -0.204 1
1 1090 . 9 1 1 A 88 88 LYS C C 88 175.539 175.228 0.311 1
1 1091 . 9 1 1 A 88 88 LYS CA C 88 55.271 54.376 0.895 1
1 1092 . 9 1 1 A 88 88 LYS CB C 88 33.457 34.696 -1.239 1
1 1096 . 9 1 1 A 88 88 LYS N N 88 127.402 124.892 2.510 1
1 1097 . 9 1 1 A 89 89 ILE H H 89 8.752 8.504 0.248 1
1 1098 . 9 1 1 A 89 89 ILE HA H 89 4.249 4.633 -0.384 1
1 1108 . 9 1 1 A 89 89 ILE C C 89 176.471 175.245 1.226 1
1 1109 . 9 1 1 A 89 89 ILE CA C 89 59.014 60.067 -1.053 1
1 1110 . 9 1 1 A 89 89 ILE CB C 89 38.437 39.017 -0.580 1
1 1114 . 9 1 1 A 89 89 ILE N N 89 122.906 122.326 0.580 1
1 1115 . 9 1 1 A 90 90 LYS H H 90 8.394 8.938 -0.544 1
1 1116 . 9 1 1 A 90 90 LYS HA H 90 4.284 5.156 -0.872 1
1 1125 . 9 1 1 A 90 90 LYS C C 90 175.276 175.195 0.081 1
1 1126 . 9 1 1 A 90 90 LYS CA C 90 55.821 54.765 1.056 1
1 1127 . 9 1 1 A 90 90 LYS CB C 90 31.860 36.846 -4.986 1
1 1131 . 9 1 1 A 90 90 LYS N N 90 125.894 125.380 0.514 1
1 1132 . 9 1 1 A 91 91 ILE H H 91 8.141 8.775 -0.634 1
1 1133 . 9 1 1 A 91 91 ILE HA H 91 4.165 4.608 -0.443 1
1 1143 . 9 1 1 A 91 91 ILE C C 91 175.506 175.733 -0.227 1
1 1144 . 9 1 1 A 91 91 ILE CA C 91 59.516 60.136 -0.620 1
1 1145 . 9 1 1 A 91 91 ILE CB C 91 37.991 39.913 -1.922 1
1 1149 . 9 1 1 A 91 91 ILE N N 91 124.934 123.814 1.120 1
1 1150 . 9 1 1 A 92 92 ARG H H 92 8.488 8.846 -0.358 1
1 1151 . 9 1 1 A 92 92 ARG HA H 92 4.318 4.135 0.183 1
1 1158 . 9 1 1 A 92 92 ARG C C 92 175.508 174.285 1.223 1
1 1159 . 9 1 1 A 92 92 ARG CA C 92 55.708 57.258 -1.550 1
1 1160 . 9 1 1 A 92 92 ARG CB C 92 30.394 30.280 0.114 1
1 1163 . 9 1 1 A 92 92 ARG N N 92 126.033 126.400 -0.367 1
1 1164 . 9 1 1 A 93 93 MET H H 93 8.362 8.543 -0.181 1
1 1165 . 9 1 1 A 93 93 MET C C 93 175.367 176.146 -0.779 1
1 1166 . 9 1 1 A 93 93 MET CA C 93 52.994 53.158 -0.164 1
1 1167 . 9 1 1 A 93 93 MET CB C 93 32.271 35.427 -3.156 1
1 1168 . 9 1 1 A 93 93 MET N N 93 123.282 120.696 2.586 1
1 1169 . 9 1 1 A 94 94 PRO HA H 94 4.505 4.296 0.209 1
1 1176 . 9 1 1 A 94 94 PRO CA C 94 62.884 65.000 -2.116 1
1 1177 . 9 1 1 A 94 94 PRO CB C 94 31.885 31.758 0.127 1
1 1180 . 9 1 1 A 95 95 THR H H 95 8.180 7.752 0.428 1
1 1181 . 9 1 1 A 95 95 THR HA H 95 4.320 4.362 -0.042 1
1 1186 . 9 1 1 A 95 95 THR C C 95 176.463 173.681 2.782 1
1 1187 . 9 1 1 A 95 95 THR CA C 95 61.391 61.921 -0.530 1
1 1188 . 9 1 1 A 95 95 THR CB C 95 69.583 68.611 0.972 1
1 1190 . 9 1 1 A 95 95 THR N N 95 114.511 112.791 1.720 1
1 1 . 10 1 1 A 2 2 PRO HA H 2 4.279 4.512 -0.233 1
1 8 . 10 1 1 A 2 2 PRO CA C 2 61.757 62.383 -0.626 1
1 9 . 10 1 1 A 2 2 PRO CB C 2 32.181 32.211 -0.030 1
1 12 . 10 1 1 A 3 3 ALA H H 3 8.418 8.296 0.122 1
1 13 . 10 1 1 A 3 3 ALA HA H 3 4.242 4.245 -0.003 1
1 17 . 10 1 1 A 3 3 ALA C C 3 171.733 177.526 -5.793 1
1 18 . 10 1 1 A 3 3 ALA CA C 3 53.120 52.737 0.383 1
1 19 . 10 1 1 A 3 3 ALA CB C 3 19.076 19.026 0.050 1
1 20 . 10 1 1 A 3 3 ALA N N 3 122.573 123.851 -1.278 1
1 21 . 10 1 1 A 4 4 ILE H H 4 8.389 8.547 -0.158 1
1 22 . 10 1 1 A 4 4 ILE HA H 4 3.730 4.053 -0.323 1
1 32 . 10 1 1 A 4 4 ILE C C 4 177.391 175.641 1.750 1
1 33 . 10 1 1 A 4 4 ILE CA C 4 60.039 61.741 -1.702 1
1 34 . 10 1 1 A 4 4 ILE CB C 4 34.720 37.086 -2.366 1
1 38 . 10 1 1 A 4 4 ILE N N 4 119.283 118.945 0.338 1
1 39 . 10 1 1 A 5 5 GLU H H 5 6.799 8.170 -1.371 1
1 40 . 10 1 1 A 5 5 GLU HA H 5 4.630 4.856 -0.226 1
1 45 . 10 1 1 A 5 5 GLU C C 5 173.009 174.899 -1.890 1
1 46 . 10 1 1 A 5 5 GLU CA C 5 53.474 54.517 -1.043 1
1 47 . 10 1 1 A 5 5 GLU CB C 5 32.091 32.398 -0.307 1
1 49 . 10 1 1 A 5 5 GLU N N 5 122.616 123.788 -1.172 1
1 50 . 10 1 1 A 6 6 VAL H H 6 8.899 8.462 0.437 1
1 51 . 10 1 1 A 6 6 VAL HA H 6 3.318 4.073 -0.755 1
1 59 . 10 1 1 A 6 6 VAL C C 6 174.172 176.386 -2.214 1
1 60 . 10 1 1 A 6 6 VAL CA C 6 65.581 63.266 2.315 1
1 61 . 10 1 1 A 6 6 VAL CB C 6 30.939 31.563 -0.624 1
1 64 . 10 1 1 A 6 6 VAL N N 6 122.205 118.111 4.094 1
1 65 . 10 1 1 A 7 7 GLY H H 7 9.478 8.854 0.624 1
1 66 . 10 1 1 A 7 7 GLY HA2 H 7 5.016 4.009 1.007 1
1 67 . 10 1 1 A 7 7 GLY HA3 H 7 3.187 4.013 -0.826 1
1 68 . 10 1 1 A 7 7 GLY C C 7 176.688 174.024 2.664 1
1 69 . 10 1 1 A 7 7 GLY CA C 7 44.580 44.993 -0.413 1
1 70 . 10 1 1 A 7 7 GLY N N 7 115.742 114.651 1.091 1
1 71 . 10 1 1 A 8 8 ARG H H 8 8.128 7.575 0.553 1
1 72 . 10 1 1 A 8 8 ARG HA H 8 4.226 4.457 -0.231 1
1 79 . 10 1 1 A 8 8 ARG C C 8 173.667 175.622 -1.955 1
1 80 . 10 1 1 A 8 8 ARG CA C 8 54.906 55.038 -0.132 1
1 81 . 10 1 1 A 8 8 ARG CB C 8 29.331 31.337 -2.006 1
1 84 . 10 1 1 A 8 8 ARG N N 8 120.180 121.809 -1.629 1
1 85 . 10 1 1 A 9 9 ILE H H 9 8.571 8.552 0.019 1
1 86 . 10 1 1 A 9 9 ILE HA H 9 4.965 4.433 0.532 1
1 96 . 10 1 1 A 9 9 ILE C C 9 175.361 175.717 -0.356 1
1 97 . 10 1 1 A 9 9 ILE CA C 9 61.241 61.235 0.006 1
1 98 . 10 1 1 A 9 9 ILE CB C 9 36.712 38.015 -1.303 1
1 102 . 10 1 1 A 9 9 ILE N N 9 129.626 125.540 4.086 1
1 103 . 10 1 1 A 10 10 CYS H H 10 9.614 9.347 0.267 1
1 104 . 10 1 1 A 10 10 CYS HA H 10 5.471 5.851 -0.380 1
1 107 . 10 1 1 A 10 10 CYS C C 10 177.158 172.726 4.432 1
1 108 . 10 1 1 A 10 10 CYS CA C 10 57.088 57.086 0.002 1
1 109 . 10 1 1 A 10 10 CYS CB C 10 32.935 30.004 2.931 1
1 110 . 10 1 1 A 10 10 CYS N N 10 126.595 126.641 -0.046 1
1 111 . 10 1 1 A 11 11 VAL H H 11 8.926 9.053 -0.127 1
1 112 . 10 1 1 A 11 11 VAL HA H 11 4.351 4.773 -0.422 1
1 120 . 10 1 1 A 11 11 VAL C C 11 172.010 175.181 -3.171 1
1 121 . 10 1 1 A 11 11 VAL CA C 11 60.857 59.721 1.136 1
1 122 . 10 1 1 A 11 11 VAL CB C 11 33.989 34.053 -0.064 1
1 125 . 10 1 1 A 11 11 VAL N N 11 119.765 124.966 -5.201 1
1 126 . 10 1 1 A 12 12 LYS H H 12 8.961 9.020 -0.059 1
1 127 . 10 1 1 A 12 12 LYS HA H 12 4.510 4.429 0.081 1
1 136 . 10 1 1 A 12 12 LYS C C 12 175.625 177.053 -1.428 1
1 137 . 10 1 1 A 12 12 LYS CA C 12 56.422 56.391 0.031 1
1 138 . 10 1 1 A 12 12 LYS CB C 12 32.726 32.448 0.278 1
1 142 . 10 1 1 A 12 12 LYS N N 12 127.967 128.321 -0.354 1
1 143 . 10 1 1 A 13 13 VAL H H 13 8.522 8.243 0.279 1
1 144 . 10 1 1 A 13 13 VAL HA H 13 4.518 4.245 0.273 1
1 152 . 10 1 1 A 13 13 VAL C C 13 176.284 175.827 0.457 1
1 153 . 10 1 1 A 13 13 VAL CA C 13 61.492 61.926 -0.434 1
1 154 . 10 1 1 A 13 13 VAL CB C 13 32.089 31.661 0.428 1
1 157 . 10 1 1 A 13 13 VAL N N 13 118.593 121.959 -3.366 1
1 158 . 10 1 1 A 14 14 LYS H H 14 7.310 7.581 -0.271 1
1 159 . 10 1 1 A 14 14 LYS HA H 14 4.580 4.032 0.548 1
1 168 . 10 1 1 A 14 14 LYS C C 14 174.043 176.890 -2.847 1
1 169 . 10 1 1 A 14 14 LYS CA C 14 54.090 56.270 -2.180 1
1 170 . 10 1 1 A 14 14 LYS CB C 14 36.489 32.935 3.554 1
1 174 . 10 1 1 A 14 14 LYS N N 14 117.809 124.381 -6.572 1
1 175 . 10 1 1 A 15 15 GLY H H 15 8.548 8.686 -0.138 1
1 176 . 10 1 1 A 15 15 GLY HA2 H 15 4.264 3.909 0.355 1
1 177 . 10 1 1 A 15 15 GLY HA3 H 15 3.845 3.920 -0.075 1
1 178 . 10 1 1 A 15 15 GLY C C 15 175.166 175.131 0.035 1
1 179 . 10 1 1 A 15 15 GLY CA C 15 43.993 45.793 -1.800 1
1 180 . 10 1 1 A 15 15 GLY N N 15 108.732 113.119 -4.387 1
1 181 . 10 1 1 A 16 16 ARG H H 16 8.618 8.835 -0.217 1
1 182 . 10 1 1 A 16 16 ARG HA H 16 4.082 3.911 0.171 1
1 189 . 10 1 1 A 16 16 ARG C C 16 174.254 176.047 -1.793 1
1 190 . 10 1 1 A 16 16 ARG CA C 16 57.950 57.820 0.130 1
1 191 . 10 1 1 A 16 16 ARG CB C 16 29.776 28.362 1.414 1
1 194 . 10 1 1 A 16 16 ARG N N 16 120.561 118.053 2.508 1
1 195 . 10 1 1 A 17 17 GLU H H 17 8.935 7.773 1.162 1
1 196 . 10 1 1 A 17 17 GLU HA H 17 4.190 4.554 -0.364 1
1 201 . 10 1 1 A 17 17 GLU C C 17 177.426 176.632 0.794 1
1 202 . 10 1 1 A 17 17 GLU CA C 17 55.386 55.479 -0.093 1
1 203 . 10 1 1 A 17 17 GLU CB C 17 27.412 30.653 -3.241 1
1 205 . 10 1 1 A 17 17 GLU N N 17 115.930 117.784 -1.854 1
1 206 . 10 1 1 A 18 18 ALA H H 18 7.267 7.964 -0.697 1
1 207 . 10 1 1 A 18 18 ALA HA H 18 3.737 4.729 -0.992 1
1 211 . 10 1 1 A 18 18 ALA C C 18 174.969 177.866 -2.897 1
1 212 . 10 1 1 A 18 18 ALA CA C 18 53.272 52.564 0.708 1
1 213 . 10 1 1 A 18 18 ALA CB C 18 17.382 18.098 -0.716 1
1 214 . 10 1 1 A 18 18 ALA N N 18 120.485 123.226 -2.741 1
1 215 . 10 1 1 A 19 19 GLY H H 19 9.424 7.859 1.565 1
1 216 . 10 1 1 A 19 19 GLY HA2 H 19 4.680 4.086 0.594 1
1 217 . 10 1 1 A 19 19 GLY HA3 H 19 3.451 4.087 -0.636 1
1 218 . 10 1 1 A 19 19 GLY C C 19 178.386 173.390 4.996 1
1 219 . 10 1 1 A 19 19 GLY CA C 19 44.905 45.617 -0.712 1
1 220 . 10 1 1 A 19 19 GLY N N 19 112.194 106.109 6.085 1
1 221 . 10 1 1 A 20 20 SER H H 20 8.162 7.445 0.717 1
1 222 . 10 1 1 A 20 20 SER HA H 20 4.861 4.806 0.055 1
1 225 . 10 1 1 A 20 20 SER C C 20 173.441 173.790 -0.349 1
1 226 . 10 1 1 A 20 20 SER CA C 20 58.253 57.208 1.045 1
1 227 . 10 1 1 A 20 20 SER CB C 20 64.447 64.495 -0.048 1
1 228 . 10 1 1 A 20 20 SER N N 20 115.207 116.977 -1.770 1
1 229 . 10 1 1 A 21 21 LYS H H 21 8.836 8.593 0.243 1
1 230 . 10 1 1 A 21 21 LYS HA H 21 5.369 5.078 0.291 1
1 239 . 10 1 1 A 21 21 LYS C C 21 172.859 175.349 -2.490 1
1 240 . 10 1 1 A 21 21 LYS CA C 21 55.508 54.623 0.885 1
1 241 . 10 1 1 A 21 21 LYS CB C 21 34.795 35.852 -1.057 1
1 245 . 10 1 1 A 21 21 LYS N N 21 121.269 126.052 -4.783 1
1 246 . 10 1 1 A 22 22 CYS H H 22 8.905 8.750 0.155 1
1 247 . 10 1 1 A 22 22 CYS HA H 22 5.527 5.081 0.446 1
1 250 . 10 1 1 A 22 22 CYS C C 22 174.204 172.705 1.499 1
1 251 . 10 1 1 A 22 22 CYS CA C 22 55.584 56.701 -1.117 1
1 252 . 10 1 1 A 22 22 CYS CB C 22 30.941 31.162 -0.221 1
1 253 . 10 1 1 A 22 22 CYS N N 22 110.073 118.623 -8.550 1
1 254 . 10 1 1 A 23 23 VAL H H 23 9.325 8.955 0.370 1
1 255 . 10 1 1 A 23 23 VAL HA H 23 4.761 4.649 0.112 1
1 263 . 10 1 1 A 23 23 VAL C C 23 171.121 175.494 -4.373 1
1 264 . 10 1 1 A 23 23 VAL CA C 23 60.552 60.992 -0.440 1
1 265 . 10 1 1 A 23 23 VAL CB C 23 35.141 34.380 0.761 1
1 268 . 10 1 1 A 23 23 VAL N N 23 119.042 120.994 -1.952 1
1 269 . 10 1 1 A 24 24 ILE H H 24 8.239 8.812 -0.573 1
1 270 . 10 1 1 A 24 24 ILE HA H 24 4.239 4.134 0.105 1
1 280 . 10 1 1 A 24 24 ILE C C 24 175.805 176.609 -0.804 1
1 281 . 10 1 1 A 24 24 ILE CA C 24 62.552 61.580 0.972 1
1 282 . 10 1 1 A 24 24 ILE CB C 24 36.819 36.904 -0.085 1
1 286 . 10 1 1 A 24 24 ILE N N 24 124.259 126.914 -2.655 1
1 287 . 10 1 1 A 25 25 VAL H H 25 9.205 8.634 0.571 1
1 288 . 10 1 1 A 25 25 VAL HA H 25 4.689 4.315 0.374 1
1 296 . 10 1 1 A 25 25 VAL C C 25 175.650 175.303 0.347 1
1 297 . 10 1 1 A 25 25 VAL CA C 25 60.947 62.433 -1.486 1
1 298 . 10 1 1 A 25 25 VAL CB C 25 32.986 32.901 0.085 1
1 301 . 10 1 1 A 25 25 VAL N N 25 121.805 123.065 -1.260 1
1 302 . 10 1 1 A 26 26 ASP H H 26 8.103 7.663 0.440 1
1 303 . 10 1 1 A 26 26 ASP HA H 26 4.771 5.149 -0.378 1
1 306 . 10 1 1 A 26 26 ASP C C 26 174.343 173.692 0.651 1
1 307 . 10 1 1 A 26 26 ASP CA C 26 53.671 53.402 0.269 1
1 308 . 10 1 1 A 26 26 ASP CB C 26 43.563 44.354 -0.791 1
1 309 . 10 1 1 A 26 26 ASP N N 26 118.459 120.103 -1.644 1
1 310 . 10 1 1 A 27 27 ILE H H 27 9.092 9.050 0.042 1
1 311 . 10 1 1 A 27 27 ILE HA H 27 4.273 4.533 -0.260 1
1 321 . 10 1 1 A 27 27 ILE C C 27 173.976 175.538 -1.562 1
1 322 . 10 1 1 A 27 27 ILE CA C 27 60.306 60.508 -0.202 1
1 323 . 10 1 1 A 27 27 ILE CB C 27 38.339 39.071 -0.732 1
1 327 . 10 1 1 A 27 27 ILE N N 27 124.375 126.091 -1.716 1
1 328 . 10 1 1 A 28 28 ILE H H 28 8.055 8.310 -0.255 1
1 329 . 10 1 1 A 28 28 ILE HA H 28 3.986 4.074 -0.088 1
1 339 . 10 1 1 A 28 28 ILE C C 28 174.733 175.894 -1.161 1
1 340 . 10 1 1 A 28 28 ILE CA C 28 62.414 63.364 -0.950 1
1 341 . 10 1 1 A 28 28 ILE CB C 28 37.450 38.332 -0.882 1
1 345 . 10 1 1 A 28 28 ILE N N 28 127.525 129.263 -1.738 1
1 346 . 10 1 1 A 29 29 ASP H H 29 8.438 8.131 0.307 1
1 347 . 10 1 1 A 29 29 ASP HA H 29 4.522 5.110 -0.588 1
1 350 . 10 1 1 A 29 29 ASP C C 29 175.289 176.714 -1.425 1
1 351 . 10 1 1 A 29 29 ASP CA C 29 53.316 52.911 0.405 1
1 352 . 10 1 1 A 29 29 ASP CB C 29 39.450 43.489 -4.039 1
1 353 . 10 1 1 A 29 29 ASP N N 29 118.886 118.986 -0.100 1
1 354 . 10 1 1 A 30 30 ASP H H 30 8.140 9.015 -0.875 1
1 355 . 10 1 1 A 30 30 ASP HA H 30 4.375 4.406 -0.031 1
1 358 . 10 1 1 A 30 30 ASP C C 30 174.332 177.234 -2.902 1
1 359 . 10 1 1 A 30 30 ASP CA C 30 56.171 57.032 -0.861 1
1 360 . 10 1 1 A 30 30 ASP CB C 30 40.302 40.789 -0.487 1
1 361 . 10 1 1 A 30 30 ASP N N 30 112.219 121.958 -9.739 1
1 362 . 10 1 1 A 31 31 ASN H H 31 8.866 7.925 0.941 1
1 363 . 10 1 1 A 31 31 ASN HA H 31 4.805 4.720 0.085 1
1 366 . 10 1 1 A 31 31 ASN C C 31 175.926 175.150 0.776 1
1 367 . 10 1 1 A 31 31 ASN CA C 31 54.015 53.887 0.128 1
1 368 . 10 1 1 A 31 31 ASN CB C 31 42.366 40.506 1.860 1
1 369 . 10 1 1 A 31 31 ASN N N 31 114.650 114.905 -0.255 1
1 370 . 10 1 1 A 32 32 PHE H H 32 8.481 7.780 0.701 1
1 371 . 10 1 1 A 32 32 PHE HA H 32 5.279 4.633 0.646 1
1 376 . 10 1 1 A 32 32 PHE C C 32 173.451 175.467 -2.016 1
1 377 . 10 1 1 A 32 32 PHE CA C 32 57.629 57.781 -0.152 1
1 378 . 10 1 1 A 32 32 PHE CB C 32 42.418 38.680 3.738 1
1 379 . 10 1 1 A 32 32 PHE N N 32 117.648 117.821 -0.173 1
1 380 . 10 1 1 A 33 33 VAL H H 33 8.680 8.917 -0.237 1
1 381 . 10 1 1 A 33 33 VAL HA H 33 4.720 4.928 -0.208 1
1 389 . 10 1 1 A 33 33 VAL C C 33 174.458 173.829 0.629 1
1 390 . 10 1 1 A 33 33 VAL CA C 33 58.331 59.016 -0.685 1
1 391 . 10 1 1 A 33 33 VAL CB C 33 34.410 35.512 -1.102 1
1 394 . 10 1 1 A 33 33 VAL N N 33 110.814 118.087 -7.273 1
1 395 . 10 1 1 A 34 34 LEU H H 34 8.696 9.220 -0.524 1
1 396 . 10 1 1 A 34 34 LEU HA H 34 4.871 4.990 -0.119 1
1 406 . 10 1 1 A 34 34 LEU C C 34 172.716 175.781 -3.065 1
1 407 . 10 1 1 A 34 34 LEU CA C 34 53.776 53.617 0.159 1
1 408 . 10 1 1 A 34 34 LEU CB C 34 44.582 43.600 0.982 1
1 412 . 10 1 1 A 34 34 LEU N N 34 123.160 125.825 -2.665 1
1 413 . 10 1 1 A 35 35 VAL H H 35 8.460 9.129 -0.669 1
1 414 . 10 1 1 A 35 35 VAL HA H 35 5.674 5.443 0.231 1
1 422 . 10 1 1 A 35 35 VAL C C 35 176.009 174.581 1.428 1
1 423 . 10 1 1 A 35 35 VAL CA C 35 57.423 59.788 -2.365 1
1 424 . 10 1 1 A 35 35 VAL CB C 35 35.541 34.478 1.063 1
1 427 . 10 1 1 A 35 35 VAL N N 35 119.184 122.117 -2.933 1
1 428 . 10 1 1 A 36 36 THR H H 36 8.362 8.639 -0.277 1
1 429 . 10 1 1 A 36 36 THR HA H 36 4.535 4.702 -0.167 1
1 434 . 10 1 1 A 36 36 THR C C 36 173.498 173.283 0.215 1
1 435 . 10 1 1 A 36 36 THR CA C 36 59.643 60.219 -0.576 1
1 436 . 10 1 1 A 36 36 THR CB C 36 70.439 70.099 0.340 1
1 438 . 10 1 1 A 36 36 THR N N 36 109.151 117.008 -7.857 1
1 439 . 10 1 1 A 37 37 GLY H H 37 7.571 8.584 -1.013 1
1 440 . 10 1 1 A 37 37 GLY C C 37 172.460 172.812 -0.352 1
1 441 . 10 1 1 A 37 37 GLY CA C 37 51.421 43.980 7.441 1
1 442 . 10 1 1 A 37 37 GLY N N 37 115.474 112.324 3.150 1
1 443 . 10 1 1 A 38 38 PRO HA H 38 5.235 4.546 0.689 1
1 450 . 10 1 1 A 38 38 PRO CA C 38 60.459 62.839 -2.380 1
1 451 . 10 1 1 A 38 38 PRO CB C 38 35.517 32.180 3.337 1
1 454 . 10 1 1 A 39 39 LYS H H 39 9.463 8.558 0.905 1
1 455 . 10 1 1 A 39 39 LYS HA H 39 3.545 4.533 -0.988 1
1 464 . 10 1 1 A 39 39 LYS C C 39 179.019 176.631 2.388 1
1 465 . 10 1 1 A 39 39 LYS CA C 39 60.344 56.100 4.244 1
1 466 . 10 1 1 A 39 39 LYS CB C 39 31.826 33.545 -1.719 1
1 470 . 10 1 1 A 39 39 LYS N N 39 127.869 122.095 5.774 1
1 471 . 10 1 1 A 40 40 ASP H H 40 9.035 9.013 0.022 1
1 472 . 10 1 1 A 40 40 ASP HA H 40 4.375 4.523 -0.148 1
1 475 . 10 1 1 A 40 40 ASP C C 40 177.615 175.605 2.010 1
1 476 . 10 1 1 A 40 40 ASP CA C 40 55.080 56.280 -1.200 1
1 477 . 10 1 1 A 40 40 ASP CB C 40 39.209 40.448 -1.239 1
1 478 . 10 1 1 A 40 40 ASP N N 40 115.744 126.389 -10.645 1
1 479 . 10 1 1 A 41 41 ILE H H 41 7.739 8.045 -0.306 1
1 480 . 10 1 1 A 41 41 ILE HA H 41 4.218 4.097 0.121 1
1 490 . 10 1 1 A 41 41 ILE C C 41 174.826 176.526 -1.700 1
1 491 . 10 1 1 A 41 41 ILE CA C 41 61.664 62.963 -1.299 1
1 492 . 10 1 1 A 41 41 ILE CB C 41 37.453 37.394 0.059 1
1 496 . 10 1 1 A 41 41 ILE N N 41 116.447 120.871 -4.424 1
1 497 . 10 1 1 A 42 42 THR H H 42 7.766 9.482 -1.716 1
1 498 . 10 1 1 A 42 42 THR HA H 42 4.734 3.906 0.828 1
1 503 . 10 1 1 A 42 42 THR C C 42 175.827 174.848 0.979 1
1 504 . 10 1 1 A 42 42 THR CA C 42 60.110 65.297 -5.187 1
1 505 . 10 1 1 A 42 42 THR CB C 42 71.791 66.807 4.984 1
1 507 . 10 1 1 A 42 42 THR N N 42 104.054 120.561 -16.507 1
1 508 . 10 1 1 A 43 43 GLY H H 43 7.844 8.563 -0.719 1
1 509 . 10 1 1 A 43 43 GLY HA2 H 43 4.461 3.960 0.501 1
1 510 . 10 1 1 A 43 43 GLY HA3 H 43 3.836 3.961 -0.125 1
1 511 . 10 1 1 A 43 43 GLY C C 43 175.208 174.215 0.993 1
1 512 . 10 1 1 A 43 43 GLY CA C 43 44.826 46.722 -1.896 1
1 513 . 10 1 1 A 43 43 GLY N N 43 109.006 108.563 0.443 1
1 514 . 10 1 1 A 44 44 VAL H H 44 7.289 7.317 -0.028 1
1 515 . 10 1 1 A 44 44 VAL HA H 44 3.945 4.334 -0.389 1
1 523 . 10 1 1 A 44 44 VAL C C 44 173.149 174.014 -0.865 1
1 524 . 10 1 1 A 44 44 VAL CA C 44 62.902 61.684 1.218 1
1 525 . 10 1 1 A 44 44 VAL CB C 44 31.715 33.355 -1.640 1
1 528 . 10 1 1 A 44 44 VAL N N 44 120.903 119.926 0.977 1
1 529 . 10 1 1 A 45 45 LYS H H 45 8.308 9.086 -0.778 1
1 530 . 10 1 1 A 45 45 LYS HA H 45 4.190 5.326 -1.136 1
1 539 . 10 1 1 A 45 45 LYS C C 45 175.177 174.854 0.323 1
1 540 . 10 1 1 A 45 45 LYS CA C 45 56.355 55.220 1.135 1
1 541 . 10 1 1 A 45 45 LYS CB C 45 33.385 33.840 -0.455 1
1 545 . 10 1 1 A 45 45 LYS N N 45 128.406 129.296 -0.890 1
1 546 . 10 1 1 A 46 46 ARG H H 46 8.080 9.092 -1.012 1
1 547 . 10 1 1 A 46 46 ARG HA H 46 5.720 5.052 0.668 1
1 554 . 10 1 1 A 46 46 ARG C C 46 173.780 176.262 -2.482 1
1 555 . 10 1 1 A 46 46 ARG CA C 46 54.888 54.605 0.283 1
1 556 . 10 1 1 A 46 46 ARG CB C 46 29.630 32.493 -2.863 1
1 559 . 10 1 1 A 46 46 ARG N N 46 120.129 129.055 -8.926 1
1 560 . 10 1 1 A 47 47 ARG H H 47 8.452 8.352 0.100 1
1 561 . 10 1 1 A 47 47 ARG HA H 47 4.732 4.488 0.244 1
1 568 . 10 1 1 A 47 47 ARG C C 47 176.138 175.836 0.302 1
1 569 . 10 1 1 A 47 47 ARG CA C 47 54.319 55.206 -0.887 1
1 570 . 10 1 1 A 47 47 ARG CB C 47 33.746 31.121 2.625 1
1 573 . 10 1 1 A 47 47 ARG N N 47 126.780 122.676 4.104 1
1 574 . 10 1 1 A 48 48 ARG H H 48 8.546 8.422 0.124 1
1 575 . 10 1 1 A 48 48 ARG HA H 48 5.111 4.548 0.563 1
1 582 . 10 1 1 A 48 48 ARG C C 48 174.339 176.692 -2.353 1
1 583 . 10 1 1 A 48 48 ARG CA C 48 55.524 56.364 -0.840 1
1 584 . 10 1 1 A 48 48 ARG CB C 48 31.132 30.619 0.513 1
1 587 . 10 1 1 A 48 48 ARG N N 48 121.931 119.003 2.928 1
1 588 . 10 1 1 A 49 49 VAL H H 49 9.485 8.586 0.899 1
1 589 . 10 1 1 A 49 49 VAL HA H 49 4.651 4.511 0.140 1
1 597 . 10 1 1 A 49 49 VAL C C 49 176.112 175.702 0.410 1
1 598 . 10 1 1 A 49 49 VAL CA C 49 60.040 60.935 -0.895 1
1 599 . 10 1 1 A 49 49 VAL CB C 49 36.427 32.830 3.597 1
1 602 . 10 1 1 A 49 49 VAL N N 49 122.891 118.885 4.006 1
1 603 . 10 1 1 A 50 50 ASN H H 50 8.569 8.262 0.307 1
1 604 . 10 1 1 A 50 50 ASN HA H 50 4.213 4.867 -0.654 1
1 607 . 10 1 1 A 50 50 ASN C C 50 173.258 173.678 -0.420 1
1 608 . 10 1 1 A 50 50 ASN CA C 50 52.732 53.383 -0.651 1
1 609 . 10 1 1 A 50 50 ASN CB C 50 38.173 37.517 0.656 1
1 610 . 10 1 1 A 50 50 ASN N N 50 125.736 119.922 5.814 1
1 611 . 10 1 1 A 51 51 ILE H H 51 8.601 8.387 0.214 1
1 612 . 10 1 1 A 51 51 ILE HA H 51 3.632 4.059 -0.427 1
1 622 . 10 1 1 A 51 51 ILE C C 51 176.785 175.263 1.522 1
1 623 . 10 1 1 A 51 51 ILE CA C 51 65.046 61.544 3.502 1
1 624 . 10 1 1 A 51 51 ILE CB C 51 38.532 36.403 2.129 1
1 628 . 10 1 1 A 51 51 ILE N N 51 126.454 124.098 2.356 1
1 629 . 10 1 1 A 52 52 LEU H H 52 8.448 8.426 0.022 1
1 630 . 10 1 1 A 52 52 LEU HA H 52 4.290 4.138 0.152 1
1 640 . 10 1 1 A 52 52 LEU C C 52 176.765 177.188 -0.423 1
1 641 . 10 1 1 A 52 52 LEU CA C 52 55.880 56.260 -0.380 1
1 642 . 10 1 1 A 52 52 LEU CB C 52 40.983 42.207 -1.224 1
1 646 . 10 1 1 A 52 52 LEU N N 52 118.365 128.385 -10.020 1
1 647 . 10 1 1 A 53 53 HIS H H 53 8.358 7.975 0.383 1
1 648 . 10 1 1 A 53 53 HIS HA H 53 4.621 4.790 -0.169 1
1 651 . 10 1 1 A 53 53 HIS C C 53 178.018 173.729 4.289 1
1 652 . 10 1 1 A 53 53 HIS CA C 53 53.996 54.533 -0.537 1
1 653 . 10 1 1 A 53 53 HIS CB C 53 30.306 28.419 1.887 1
1 654 . 10 1 1 A 53 53 HIS N N 53 116.672 114.186 2.486 1
1 655 . 10 1 1 A 54 54 LEU H H 54 7.693 7.620 0.073 1
1 656 . 10 1 1 A 54 54 LEU HA H 54 5.222 5.041 0.181 1
1 666 . 10 1 1 A 54 54 LEU C C 54 173.609 175.381 -1.772 1
1 667 . 10 1 1 A 54 54 LEU CA C 54 52.932 53.589 -0.657 1
1 668 . 10 1 1 A 54 54 LEU CB C 54 45.943 45.153 0.790 1
1 672 . 10 1 1 A 54 54 LEU N N 54 119.311 121.118 -1.807 1
1 673 . 10 1 1 A 55 55 GLU H H 55 9.073 8.769 0.304 1
1 674 . 10 1 1 A 55 55 GLU C C 55 175.102 174.142 0.960 1
1 675 . 10 1 1 A 55 55 GLU CA C 55 52.073 52.442 -0.369 1
1 676 . 10 1 1 A 55 55 GLU CB C 55 31.958 31.453 0.505 1
1 677 . 10 1 1 A 55 55 GLU N N 55 120.139 123.950 -3.811 1
1 678 . 10 1 1 A 56 56 PRO HA H 56 4.903 4.818 0.085 1
1 685 . 10 1 1 A 56 56 PRO CA C 56 63.121 62.867 0.254 1
1 686 . 10 1 1 A 56 56 PRO CB C 56 32.274 32.283 -0.009 1
1 689 . 10 1 1 A 57 57 THR H H 57 8.502 8.673 -0.171 1
1 690 . 10 1 1 A 57 57 THR HA H 57 4.932 4.600 0.332 1
1 695 . 10 1 1 A 57 57 THR C C 57 175.894 175.294 0.600 1
1 696 . 10 1 1 A 57 57 THR CA C 57 60.602 60.294 0.308 1
1 697 . 10 1 1 A 57 57 THR CB C 57 71.821 71.947 -0.126 1
1 699 . 10 1 1 A 57 57 THR N N 57 113.388 112.645 0.743 1
1 700 . 10 1 1 A 58 58 ASP H H 58 8.605 8.968 -0.363 1
1 701 . 10 1 1 A 58 58 ASP HA H 58 4.445 4.391 0.054 1
1 704 . 10 1 1 A 58 58 ASP C C 58 173.673 176.356 -2.683 1
1 705 . 10 1 1 A 58 58 ASP CA C 58 53.743 57.135 -3.392 1
1 706 . 10 1 1 A 58 58 ASP CB C 58 39.622 40.636 -1.014 1
1 707 . 10 1 1 A 58 58 ASP N N 58 115.340 121.036 -5.696 1
1 708 . 10 1 1 A 59 59 LYS H H 59 8.544 7.758 0.786 1
1 709 . 10 1 1 A 59 59 LYS HA H 59 4.646 4.433 0.213 1
1 718 . 10 1 1 A 59 59 LYS C C 59 174.972 175.593 -0.621 1
1 719 . 10 1 1 A 59 59 LYS CA C 59 54.336 56.004 -1.668 1
1 720 . 10 1 1 A 59 59 LYS CB C 59 34.626 33.419 1.207 1
1 724 . 10 1 1 A 59 59 LYS N N 59 119.488 119.348 0.140 1
1 725 . 10 1 1 A 60 60 LYS H H 60 8.227 8.508 -0.281 1
1 726 . 10 1 1 A 60 60 LYS HA H 60 4.999 4.808 0.191 1
1 735 . 10 1 1 A 60 60 LYS C C 60 174.256 174.775 -0.519 1
1 736 . 10 1 1 A 60 60 LYS CA C 60 54.465 55.668 -1.203 1
1 737 . 10 1 1 A 60 60 LYS CB C 60 36.153 36.352 -0.199 1
1 741 . 10 1 1 A 60 60 LYS N N 60 121.112 122.513 -1.401 1
1 742 . 10 1 1 A 61 61 ILE H H 61 8.527 8.817 -0.290 1
1 743 . 10 1 1 A 61 61 ILE HA H 61 4.724 4.625 0.099 1
1 753 . 10 1 1 A 61 61 ILE C C 61 174.330 174.633 -0.303 1
1 754 . 10 1 1 A 61 61 ILE CA C 61 58.831 60.373 -1.542 1
1 755 . 10 1 1 A 61 61 ILE CB C 61 41.357 38.705 2.652 1
1 759 . 10 1 1 A 61 61 ILE N N 61 116.027 122.432 -6.405 1
1 760 . 10 1 1 A 62 62 ASP H H 62 8.513 8.881 -0.368 1
1 761 . 10 1 1 A 62 62 ASP HA H 62 4.732 4.862 -0.130 1
1 764 . 10 1 1 A 62 62 ASP C C 62 174.224 175.028 -0.804 1
1 765 . 10 1 1 A 62 62 ASP CA C 62 53.163 54.076 -0.913 1
1 766 . 10 1 1 A 62 62 ASP CB C 62 39.686 41.196 -1.510 1
1 767 . 10 1 1 A 62 62 ASP N N 62 121.643 125.235 -3.592 1
1 768 . 10 1 1 A 63 63 ILE H H 63 7.389 8.421 -1.032 1
1 769 . 10 1 1 A 63 63 ILE HA H 63 4.641 4.754 -0.113 1
1 779 . 10 1 1 A 63 63 ILE C C 63 174.484 173.934 0.550 1
1 780 . 10 1 1 A 63 63 ILE CA C 63 58.244 58.996 -0.752 1
1 781 . 10 1 1 A 63 63 ILE CB C 63 41.811 40.892 0.919 1
1 785 . 10 1 1 A 63 63 ILE N N 63 114.509 125.147 -10.638 1
1 786 . 10 1 1 A 64 64 GLN H H 64 8.529 8.148 0.381 1
1 787 . 10 1 1 A 64 64 GLN HA H 64 4.390 4.524 -0.134 1
1 792 . 10 1 1 A 64 64 GLN C C 64 174.409 175.433 -1.024 1
1 793 . 10 1 1 A 64 64 GLN CA C 64 53.860 54.275 -0.415 1
1 794 . 10 1 1 A 64 64 GLN CB C 64 30.086 29.470 0.616 1
1 796 . 10 1 1 A 64 64 GLN N N 64 119.145 122.752 -3.607 1
1 797 . 10 1 1 A 65 65 LYS H H 65 8.323 8.558 -0.235 1
1 798 . 10 1 1 A 65 65 LYS HA H 65 4.132 3.987 0.145 1
1 807 . 10 1 1 A 65 65 LYS C C 65 174.920 177.594 -2.674 1
1 808 . 10 1 1 A 65 65 LYS CA C 65 57.603 58.059 -0.456 1
1 809 . 10 1 1 A 65 65 LYS CB C 65 32.341 32.247 0.094 1
1 813 . 10 1 1 A 65 65 LYS N N 65 119.780 122.212 -2.432 1
1 814 . 10 1 1 A 66 66 GLY H H 66 9.313 8.993 0.320 1
1 815 . 10 1 1 A 66 66 GLY HA2 H 66 4.093 3.950 0.143 1
1 816 . 10 1 1 A 66 66 GLY HA3 H 66 3.297 3.952 -0.655 1
1 817 . 10 1 1 A 66 66 GLY C C 66 177.892 175.062 2.830 1
1 818 . 10 1 1 A 66 66 GLY CA C 66 44.953 46.571 -1.618 1
1 819 . 10 1 1 A 66 66 GLY N N 66 112.449 114.634 -2.185 1
1 820 . 10 1 1 A 67 67 ALA H H 67 7.545 8.541 -0.996 1
1 821 . 10 1 1 A 67 67 ALA HA H 67 4.081 4.957 -0.876 1
1 825 . 10 1 1 A 67 67 ALA C C 67 173.517 177.817 -4.300 1
1 826 . 10 1 1 A 67 67 ALA CA C 67 52.802 52.401 0.401 1
1 827 . 10 1 1 A 67 67 ALA CB C 67 20.424 20.064 0.360 1
1 828 . 10 1 1 A 67 67 ALA N N 67 121.516 123.873 -2.357 1
1 829 . 10 1 1 A 68 68 SER H H 68 8.904 8.144 0.760 1
1 830 . 10 1 1 A 68 68 SER HA H 68 4.261 4.988 -0.727 1
1 833 . 10 1 1 A 68 68 SER C C 68 177.019 175.069 1.950 1
1 834 . 10 1 1 A 68 68 SER CA C 68 57.321 55.875 1.446 1
1 835 . 10 1 1 A 68 68 SER CB C 68 65.064 66.546 -1.482 1
1 836 . 10 1 1 A 68 68 SER N N 68 119.470 114.239 5.231 1
1 837 . 10 1 1 A 69 69 ASP H H 69 9.379 9.056 0.323 1
1 838 . 10 1 1 A 69 69 ASP HA H 69 4.184 4.203 -0.019 1
1 841 . 10 1 1 A 69 69 ASP C C 69 173.831 177.753 -3.922 1
1 842 . 10 1 1 A 69 69 ASP CA C 69 57.843 58.169 -0.326 1
1 843 . 10 1 1 A 69 69 ASP CB C 69 39.367 41.038 -1.671 1
1 844 . 10 1 1 A 69 69 ASP N N 69 122.205 121.805 0.400 1
1 845 . 10 1 1 A 70 70 GLU H H 70 8.454 8.455 -0.001 1
1 846 . 10 1 1 A 70 70 GLU HA H 70 3.966 4.024 -0.058 1
1 851 . 10 1 1 A 70 70 GLU C C 70 177.979 179.431 -1.452 1
1 852 . 10 1 1 A 70 70 GLU CA C 70 59.987 59.230 0.757 1
1 853 . 10 1 1 A 70 70 GLU CB C 70 28.804 29.339 -0.535 1
1 855 . 10 1 1 A 70 70 GLU N N 70 118.426 117.694 0.732 1
1 856 . 10 1 1 A 71 71 GLU H H 71 7.835 8.018 -0.183 1
1 857 . 10 1 1 A 71 71 GLU HA H 71 4.050 4.183 -0.133 1
1 862 . 10 1 1 A 71 71 GLU C C 71 178.486 179.093 -0.607 1
1 863 . 10 1 1 A 71 71 GLU CA C 71 58.998 58.923 0.075 1
1 864 . 10 1 1 A 71 71 GLU CB C 71 29.068 29.541 -0.473 1
1 866 . 10 1 1 A 71 71 GLU N N 71 122.166 119.964 2.202 1
1 867 . 10 1 1 A 72 72 VAL H H 72 8.387 8.605 -0.218 1
1 868 . 10 1 1 A 72 72 VAL HA H 72 3.295 3.472 -0.177 1
1 876 . 10 1 1 A 72 72 VAL C C 72 178.603 178.030 0.573 1
1 877 . 10 1 1 A 72 72 VAL CA C 72 66.989 67.061 -0.072 1
1 878 . 10 1 1 A 72 72 VAL CB C 72 31.242 31.410 -0.168 1
1 881 . 10 1 1 A 72 72 VAL N N 72 118.871 120.421 -1.550 1
1 882 . 10 1 1 A 73 73 LYS H H 73 8.619 8.016 0.603 1
1 883 . 10 1 1 A 73 73 LYS HA H 73 3.734 4.006 -0.272 1
1 892 . 10 1 1 A 73 73 LYS C C 73 177.118 178.205 -1.087 1
1 893 . 10 1 1 A 73 73 LYS CA C 73 60.695 58.880 1.815 1
1 894 . 10 1 1 A 73 73 LYS CB C 73 32.320 31.973 0.347 1
1 898 . 10 1 1 A 73 73 LYS N N 73 118.351 119.963 -1.612 1
1 899 . 10 1 1 A 74 74 LYS H H 74 7.886 7.993 -0.107 1
1 900 . 10 1 1 A 74 74 LYS HA H 74 4.133 3.985 0.148 1
1 909 . 10 1 1 A 74 74 LYS C C 74 178.306 179.436 -1.130 1
1 910 . 10 1 1 A 74 74 LYS CA C 74 58.954 59.553 -0.599 1
1 911 . 10 1 1 A 74 74 LYS CB C 74 31.974 32.236 -0.262 1
1 915 . 10 1 1 A 74 74 LYS N N 74 118.808 119.027 -0.219 1
1 916 . 10 1 1 A 75 75 LYS H H 75 8.118 7.875 0.243 1
1 917 . 10 1 1 A 75 75 LYS HA H 75 4.228 4.044 0.184 1
1 926 . 10 1 1 A 75 75 LYS C C 75 178.795 179.561 -0.766 1
1 927 . 10 1 1 A 75 75 LYS CA C 75 57.158 58.959 -1.801 1
1 928 . 10 1 1 A 75 75 LYS CB C 75 31.382 31.752 -0.370 1
1 932 . 10 1 1 A 75 75 LYS N N 75 118.374 118.727 -0.353 1
1 933 . 10 1 1 A 76 76 LEU H H 76 8.778 8.130 0.648 1
1 934 . 10 1 1 A 76 76 LEU HA H 76 3.931 4.085 -0.154 1
1 944 . 10 1 1 A 76 76 LEU C C 76 180.241 178.419 1.822 1
1 945 . 10 1 1 A 76 76 LEU CA C 76 58.203 57.842 0.361 1
1 946 . 10 1 1 A 76 76 LEU CB C 76 42.015 41.973 0.042 1
1 950 . 10 1 1 A 76 76 LEU N N 76 121.253 121.909 -0.656 1
1 951 . 10 1 1 A 77 77 GLU H H 77 7.951 8.035 -0.084 1
1 952 . 10 1 1 A 77 77 GLU HA H 77 4.227 3.983 0.244 1
1 957 . 10 1 1 A 77 77 GLU C C 77 178.403 178.719 -0.316 1
1 958 . 10 1 1 A 77 77 GLU CA C 77 58.892 59.328 -0.436 1
1 959 . 10 1 1 A 77 77 GLU CB C 77 28.925 29.368 -0.443 1
1 961 . 10 1 1 A 77 77 GLU N N 77 119.306 119.173 0.133 1
1 962 . 10 1 1 A 78 78 GLU H H 78 8.595 8.439 0.156 1
1 963 . 10 1 1 A 78 78 GLU HA H 78 4.099 4.023 0.076 1
1 968 . 10 1 1 A 78 78 GLU C C 78 180.586 178.458 2.128 1
1 969 . 10 1 1 A 78 78 GLU CA C 78 58.850 59.273 -0.423 1
1 970 . 10 1 1 A 78 78 GLU CB C 78 29.878 29.378 0.500 1
1 972 . 10 1 1 A 78 78 GLU N N 78 120.814 118.745 2.069 1
1 973 . 10 1 1 A 79 79 SER H H 79 7.519 7.745 -0.226 1
1 974 . 10 1 1 A 79 79 SER HA H 79 4.592 4.521 0.071 1
1 977 . 10 1 1 A 79 79 SER C C 79 177.761 173.783 3.978 1
1 978 . 10 1 1 A 79 79 SER CA C 79 58.324 58.220 0.104 1
1 979 . 10 1 1 A 79 79 SER CB C 79 63.796 63.507 0.289 1
1 980 . 10 1 1 A 79 79 SER N N 79 110.823 111.738 -0.915 1
1 981 . 10 1 1 A 80 80 ASN H H 80 8.126 8.152 -0.026 1
1 982 . 10 1 1 A 80 80 ASN HA H 80 4.700 4.419 0.281 1
1 985 . 10 1 1 A 80 80 ASN C C 80 172.562 175.570 -3.008 1
1 986 . 10 1 1 A 80 80 ASN CA C 80 53.603 53.965 -0.362 1
1 987 . 10 1 1 A 80 80 ASN CB C 80 36.754 36.919 -0.165 1
1 988 . 10 1 1 A 80 80 ASN N N 80 117.027 118.538 -1.511 1
1 989 . 10 1 1 A 81 81 LEU H H 81 8.526 7.551 0.975 1
1 990 . 10 1 1 A 81 81 LEU HA H 81 4.767 4.623 0.144 1
1 1000 . 10 1 1 A 81 81 LEU C C 81 175.743 177.701 -1.958 1
1 1001 . 10 1 1 A 81 81 LEU CA C 81 54.008 53.859 0.149 1
1 1002 . 10 1 1 A 81 81 LEU CB C 81 45.026 42.726 2.300 1
1 1006 . 10 1 1 A 81 81 LEU N N 81 114.910 121.679 -6.769 1
1 1007 . 10 1 1 A 82 82 THR H H 82 7.848 7.703 0.145 1
1 1008 . 10 1 1 A 82 82 THR HA H 82 4.117 3.888 0.229 1
1 1013 . 10 1 1 A 82 82 THR C C 82 176.676 176.393 0.283 1
1 1014 . 10 1 1 A 82 82 THR CA C 82 67.474 66.606 0.868 1
1 1015 . 10 1 1 A 82 82 THR CB C 82 68.235 68.507 -0.272 1
1 1017 . 10 1 1 A 82 82 THR N N 82 117.802 114.391 3.411 1
1 1018 . 10 1 1 A 83 83 GLU H H 83 8.335 8.124 0.211 1
1 1019 . 10 1 1 A 83 83 GLU HA H 83 3.915 4.100 -0.185 1
1 1024 . 10 1 1 A 83 83 GLU C C 83 175.177 178.693 -3.516 1
1 1025 . 10 1 1 A 83 83 GLU CA C 83 59.541 59.634 -0.093 1
1 1026 . 10 1 1 A 83 83 GLU CB C 83 27.819 29.343 -1.524 1
1 1028 . 10 1 1 A 83 83 GLU N N 83 118.314 120.139 -1.825 1
1 1029 . 10 1 1 A 84 84 TYR H H 84 8.043 8.188 -0.145 1
1 1030 . 10 1 1 A 84 84 TYR HA H 84 4.111 4.131 -0.020 1
1 1037 . 10 1 1 A 84 84 TYR C C 84 179.081 176.863 2.218 1
1 1038 . 10 1 1 A 84 84 TYR CA C 84 60.788 61.075 -0.287 1
1 1039 . 10 1 1 A 84 84 TYR CB C 84 37.753 38.759 -1.006 1
1 1040 . 10 1 1 A 84 84 TYR N N 84 121.386 121.651 -0.265 1
1 1041 . 10 1 1 A 85 85 MET H H 85 8.101 7.644 0.457 1
1 1042 . 10 1 1 A 85 85 MET HA H 85 4.259 4.426 -0.167 1
1 1047 . 10 1 1 A 85 85 MET C C 85 178.628 177.994 0.634 1
1 1048 . 10 1 1 A 85 85 MET CA C 85 55.244 56.500 -1.256 1
1 1049 . 10 1 1 A 85 85 MET CB C 85 29.597 32.955 -3.358 1
1 1051 . 10 1 1 A 85 85 MET N N 85 116.695 118.078 -1.383 1
1 1052 . 10 1 1 A 86 86 LYS H H 86 7.301 7.791 -0.490 1
1 1053 . 10 1 1 A 86 86 LYS HA H 86 3.937 4.033 -0.096 1
1 1062 . 10 1 1 A 86 86 LYS C C 86 175.934 176.329 -0.395 1
1 1063 . 10 1 1 A 86 86 LYS CA C 86 57.318 58.844 -1.526 1
1 1064 . 10 1 1 A 86 86 LYS CB C 86 32.956 33.000 -0.044 1
1 1068 . 10 1 1 A 86 86 LYS N N 86 114.957 119.614 -4.657 1
1 1069 . 10 1 1 A 87 87 GLU H H 87 7.031 7.609 -0.578 1
1 1070 . 10 1 1 A 87 87 GLU HA H 87 4.185 4.367 -0.182 1
1 1075 . 10 1 1 A 87 87 GLU C C 87 176.247 176.400 -0.153 1
1 1076 . 10 1 1 A 87 87 GLU CA C 87 55.780 56.373 -0.593 1
1 1077 . 10 1 1 A 87 87 GLU CB C 87 29.358 30.255 -0.897 1
1 1079 . 10 1 1 A 87 87 GLU N N 87 119.315 115.513 3.802 1
1 1080 . 10 1 1 A 88 88 LYS H H 88 8.466 8.610 -0.144 1
1 1081 . 10 1 1 A 88 88 LYS HA H 88 4.568 4.817 -0.249 1
1 1090 . 10 1 1 A 88 88 LYS C C 88 175.539 175.393 0.146 1
1 1091 . 10 1 1 A 88 88 LYS CA C 88 55.271 55.109 0.162 1
1 1092 . 10 1 1 A 88 88 LYS CB C 88 33.457 34.527 -1.070 1
1 1096 . 10 1 1 A 88 88 LYS N N 88 127.402 119.860 7.542 1
1 1097 . 10 1 1 A 89 89 ILE H H 89 8.752 7.999 0.753 1
1 1098 . 10 1 1 A 89 89 ILE HA H 89 4.249 4.550 -0.301 1
1 1108 . 10 1 1 A 89 89 ILE C C 89 176.471 175.948 0.523 1
1 1109 . 10 1 1 A 89 89 ILE CA C 89 59.014 59.788 -0.774 1
1 1110 . 10 1 1 A 89 89 ILE CB C 89 38.437 39.721 -1.284 1
1 1114 . 10 1 1 A 89 89 ILE N N 89 122.906 121.605 1.301 1
1 1115 . 10 1 1 A 90 90 LYS H H 90 8.394 9.418 -1.024 1
1 1116 . 10 1 1 A 90 90 LYS HA H 90 4.284 4.185 0.099 1
1 1125 . 10 1 1 A 90 90 LYS C C 90 175.276 176.407 -1.131 1
1 1126 . 10 1 1 A 90 90 LYS CA C 90 55.821 58.499 -2.678 1
1 1127 . 10 1 1 A 90 90 LYS CB C 90 31.860 31.218 0.642 1
1 1131 . 10 1 1 A 90 90 LYS N N 90 125.894 123.309 2.585 1
1 1132 . 10 1 1 A 91 91 ILE H H 91 8.141 8.833 -0.692 1
1 1133 . 10 1 1 A 91 91 ILE HA H 91 4.165 3.803 0.362 1
1 1143 . 10 1 1 A 91 91 ILE C C 91 175.506 175.557 -0.051 1
1 1144 . 10 1 1 A 91 91 ILE CA C 91 59.516 62.295 -2.779 1
1 1145 . 10 1 1 A 91 91 ILE CB C 91 37.991 36.850 1.141 1
1 1149 . 10 1 1 A 91 91 ILE N N 91 124.934 122.612 2.322 1
1 1150 . 10 1 1 A 92 92 ARG H H 92 8.488 7.733 0.755 1
1 1151 . 10 1 1 A 92 92 ARG HA H 92 4.318 4.682 -0.364 1
1 1158 . 10 1 1 A 92 92 ARG C C 92 175.508 174.272 1.236 1
1 1159 . 10 1 1 A 92 92 ARG CA C 92 55.708 54.791 0.917 1
1 1160 . 10 1 1 A 92 92 ARG CB C 92 30.394 31.022 -0.628 1
1 1163 . 10 1 1 A 92 92 ARG N N 92 126.033 122.997 3.036 1
1 1164 . 10 1 1 A 93 93 MET H H 93 8.362 8.484 -0.122 1
1 1165 . 10 1 1 A 93 93 MET C C 93 175.367 174.057 1.310 1
1 1166 . 10 1 1 A 93 93 MET CA C 93 52.994 53.685 -0.691 1
1 1167 . 10 1 1 A 93 93 MET CB C 93 32.271 34.063 -1.792 1
1 1168 . 10 1 1 A 93 93 MET N N 93 123.282 125.402 -2.120 1
1 1169 . 10 1 1 A 94 94 PRO HA H 94 4.505 4.308 0.197 1
1 1176 . 10 1 1 A 94 94 PRO CA C 94 62.884 63.703 -0.819 1
1 1177 . 10 1 1 A 94 94 PRO CB C 94 31.885 31.578 0.307 1
1 1180 . 10 1 1 A 95 95 THR H H 95 8.180 8.381 -0.201 1
1 1181 . 10 1 1 A 95 95 THR HA H 95 4.320 3.978 0.342 1
1 1186 . 10 1 1 A 95 95 THR C C 95 176.463 173.840 2.623 1
1 1187 . 10 1 1 A 95 95 THR CA C 95 61.391 64.866 -3.475 1
1 1188 . 10 1 1 A 95 95 THR CB C 95 69.583 66.915 2.668 1
1 1190 . 10 1 1 A 95 95 THR N N 95 114.511 109.663 4.848 1
1 1 . 11 1 1 A 2 2 PRO HA H 2 4.279 4.366 -0.087 1
1 8 . 11 1 1 A 2 2 PRO CA C 2 61.757 63.780 -2.023 1
1 9 . 11 1 1 A 2 2 PRO CB C 2 32.181 31.659 0.522 1
1 12 . 11 1 1 A 3 3 ALA H H 3 8.418 8.757 -0.339 1
1 13 . 11 1 1 A 3 3 ALA HA H 3 4.242 3.905 0.337 1
1 17 . 11 1 1 A 3 3 ALA C C 3 171.733 177.123 -5.390 1
1 18 . 11 1 1 A 3 3 ALA CA C 3 53.120 54.066 -0.946 1
1 19 . 11 1 1 A 3 3 ALA CB C 3 19.076 18.151 0.925 1
1 20 . 11 1 1 A 3 3 ALA N N 3 122.573 122.394 0.179 1
1 21 . 11 1 1 A 4 4 ILE H H 4 8.389 8.846 -0.457 1
1 22 . 11 1 1 A 4 4 ILE HA H 4 3.730 3.768 -0.038 1
1 32 . 11 1 1 A 4 4 ILE C C 4 177.391 174.621 2.770 1
1 33 . 11 1 1 A 4 4 ILE CA C 4 60.039 62.082 -2.043 1
1 34 . 11 1 1 A 4 4 ILE CB C 4 34.720 36.675 -1.955 1
1 38 . 11 1 1 A 4 4 ILE N N 4 119.283 120.016 -0.733 1
1 39 . 11 1 1 A 5 5 GLU H H 5 6.799 7.753 -0.954 1
1 40 . 11 1 1 A 5 5 GLU HA H 5 4.630 4.860 -0.230 1
1 45 . 11 1 1 A 5 5 GLU C C 5 173.009 175.129 -2.120 1
1 46 . 11 1 1 A 5 5 GLU CA C 5 53.474 54.382 -0.908 1
1 47 . 11 1 1 A 5 5 GLU CB C 5 32.091 32.867 -0.776 1
1 49 . 11 1 1 A 5 5 GLU N N 5 122.616 118.099 4.517 1
1 50 . 11 1 1 A 6 6 VAL H H 6 8.899 8.415 0.484 1
1 51 . 11 1 1 A 6 6 VAL HA H 6 3.318 4.105 -0.787 1
1 59 . 11 1 1 A 6 6 VAL C C 6 174.172 176.417 -2.245 1
1 60 . 11 1 1 A 6 6 VAL CA C 6 65.581 63.437 2.144 1
1 61 . 11 1 1 A 6 6 VAL CB C 6 30.939 31.462 -0.523 1
1 64 . 11 1 1 A 6 6 VAL N N 6 122.205 118.448 3.757 1
1 65 . 11 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 11 1 1 A 7 7 GLY HA2 H 7 5.016 3.916 1.100 1
1 67 . 11 1 1 A 7 7 GLY HA3 H 7 3.187 3.919 -0.732 1
1 68 . 11 1 1 A 7 7 GLY C C 7 176.688 173.775 2.913 1
1 69 . 11 1 1 A 7 7 GLY CA C 7 44.580 45.456 -0.876 1
1 70 . 11 1 1 A 7 7 GLY N N 7 115.742 114.627 1.115 1
1 71 . 11 1 1 A 8 8 ARG H H 8 8.128 7.610 0.518 1
1 72 . 11 1 1 A 8 8 ARG HA H 8 4.226 4.537 -0.311 1
1 79 . 11 1 1 A 8 8 ARG C C 8 173.667 175.662 -1.995 1
1 80 . 11 1 1 A 8 8 ARG CA C 8 54.906 55.054 -0.148 1
1 81 . 11 1 1 A 8 8 ARG CB C 8 29.331 31.275 -1.944 1
1 84 . 11 1 1 A 8 8 ARG N N 8 120.180 121.861 -1.681 1
1 85 . 11 1 1 A 9 9 ILE H H 9 8.571 8.078 0.493 1
1 86 . 11 1 1 A 9 9 ILE HA H 9 4.965 4.589 0.376 1
1 96 . 11 1 1 A 9 9 ILE C C 9 175.361 175.663 -0.302 1
1 97 . 11 1 1 A 9 9 ILE CA C 9 61.241 61.593 -0.352 1
1 98 . 11 1 1 A 9 9 ILE CB C 9 36.712 37.572 -0.860 1
1 102 . 11 1 1 A 9 9 ILE N N 9 129.626 126.744 2.882 1
1 103 . 11 1 1 A 10 10 CYS H H 10 9.614 9.713 -0.099 1
1 104 . 11 1 1 A 10 10 CYS HA H 10 5.471 5.562 -0.091 1
1 107 . 11 1 1 A 10 10 CYS C C 10 177.158 172.577 4.581 1
1 108 . 11 1 1 A 10 10 CYS CA C 10 57.088 56.847 0.241 1
1 109 . 11 1 1 A 10 10 CYS CB C 10 32.935 31.414 1.521 1
1 110 . 11 1 1 A 10 10 CYS N N 10 126.595 125.820 0.775 1
1 111 . 11 1 1 A 11 11 VAL H H 11 8.926 9.127 -0.201 1
1 112 . 11 1 1 A 11 11 VAL HA H 11 4.351 4.976 -0.625 1
1 120 . 11 1 1 A 11 11 VAL C C 11 172.010 174.568 -2.558 1
1 121 . 11 1 1 A 11 11 VAL CA C 11 60.857 59.634 1.223 1
1 122 . 11 1 1 A 11 11 VAL CB C 11 33.989 35.384 -1.395 1
1 125 . 11 1 1 A 11 11 VAL N N 11 119.765 120.985 -1.220 1
1 126 . 11 1 1 A 12 12 LYS H H 12 8.961 8.265 0.696 1
1 127 . 11 1 1 A 12 12 LYS HA H 12 4.510 4.553 -0.043 1
1 136 . 11 1 1 A 12 12 LYS C C 12 175.625 176.065 -0.440 1
1 137 . 11 1 1 A 12 12 LYS CA C 12 56.422 56.214 0.208 1
1 138 . 11 1 1 A 12 12 LYS CB C 12 32.726 32.836 -0.110 1
1 142 . 11 1 1 A 12 12 LYS N N 12 127.967 126.231 1.736 1
1 143 . 11 1 1 A 13 13 VAL H H 13 8.522 8.633 -0.111 1
1 144 . 11 1 1 A 13 13 VAL HA H 13 4.518 4.329 0.189 1
1 152 . 11 1 1 A 13 13 VAL C C 13 176.284 174.636 1.648 1
1 153 . 11 1 1 A 13 13 VAL CA C 13 61.492 61.375 0.117 1
1 154 . 11 1 1 A 13 13 VAL CB C 13 32.089 30.762 1.327 1
1 157 . 11 1 1 A 13 13 VAL N N 13 118.593 126.639 -8.046 1
1 158 . 11 1 1 A 14 14 LYS H H 14 7.310 7.952 -0.642 1
1 159 . 11 1 1 A 14 14 LYS HA H 14 4.580 4.701 -0.121 1
1 168 . 11 1 1 A 14 14 LYS C C 14 174.043 177.212 -3.169 1
1 169 . 11 1 1 A 14 14 LYS CA C 14 54.090 56.017 -1.927 1
1 170 . 11 1 1 A 14 14 LYS CB C 14 36.489 33.983 2.506 1
1 174 . 11 1 1 A 14 14 LYS N N 14 117.809 125.034 -7.225 1
1 175 . 11 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 11 1 1 A 15 15 GLY HA2 H 15 4.264 4.020 0.244 1
1 177 . 11 1 1 A 15 15 GLY HA3 H 15 3.845 4.024 -0.179 1
1 178 . 11 1 1 A 15 15 GLY C C 15 175.166 173.579 1.587 1
1 179 . 11 1 1 A 15 15 GLY CA C 15 43.993 45.886 -1.893 1
1 180 . 11 1 1 A 15 15 GLY N N 15 108.732 114.521 -5.789 1
1 181 . 11 1 1 A 16 16 ARG H H 16 8.618 8.074 0.544 1
1 182 . 11 1 1 A 16 16 ARG HA H 16 4.082 4.665 -0.583 1
1 189 . 11 1 1 A 16 16 ARG C C 16 174.254 175.352 -1.098 1
1 190 . 11 1 1 A 16 16 ARG CA C 16 57.950 57.361 0.589 1
1 191 . 11 1 1 A 16 16 ARG CB C 16 29.776 32.719 -2.943 1
1 194 . 11 1 1 A 16 16 ARG N N 16 120.561 121.103 -0.542 1
1 195 . 11 1 1 A 17 17 GLU H H 17 8.935 7.836 1.099 1
1 196 . 11 1 1 A 17 17 GLU HA H 17 4.190 4.731 -0.541 1
1 201 . 11 1 1 A 17 17 GLU C C 17 177.426 174.033 3.393 1
1 202 . 11 1 1 A 17 17 GLU CA C 17 55.386 56.157 -0.771 1
1 203 . 11 1 1 A 17 17 GLU CB C 17 27.412 33.313 -5.901 1
1 205 . 11 1 1 A 17 17 GLU N N 17 115.930 118.065 -2.135 1
1 206 . 11 1 1 A 18 18 ALA H H 18 7.267 9.177 -1.910 1
1 207 . 11 1 1 A 18 18 ALA HA H 18 3.737 5.188 -1.451 1
1 211 . 11 1 1 A 18 18 ALA C C 18 174.969 177.976 -3.007 1
1 212 . 11 1 1 A 18 18 ALA CA C 18 53.272 50.441 2.831 1
1 213 . 11 1 1 A 18 18 ALA CB C 18 17.382 21.153 -3.771 1
1 214 . 11 1 1 A 18 18 ALA N N 18 120.485 129.685 -9.200 1
1 215 . 11 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 11 1 1 A 19 19 GLY HA2 H 19 4.680 3.748 0.932 1
1 217 . 11 1 1 A 19 19 GLY HA3 H 19 3.451 3.751 -0.300 1
1 218 . 11 1 1 A 19 19 GLY C C 19 178.386 173.951 4.435 1
1 219 . 11 1 1 A 19 19 GLY CA C 19 44.905 46.107 -1.202 1
1 220 . 11 1 1 A 19 19 GLY N N 19 112.194 110.323 1.871 1
1 221 . 11 1 1 A 20 20 SER H H 20 8.162 7.741 0.421 1
1 222 . 11 1 1 A 20 20 SER HA H 20 4.861 4.991 -0.130 1
1 225 . 11 1 1 A 20 20 SER C C 20 173.441 173.669 -0.228 1
1 226 . 11 1 1 A 20 20 SER CA C 20 58.253 57.874 0.379 1
1 227 . 11 1 1 A 20 20 SER CB C 20 64.447 63.835 0.612 1
1 228 . 11 1 1 A 20 20 SER N N 20 115.207 116.171 -0.964 1
1 229 . 11 1 1 A 21 21 LYS H H 21 8.836 8.813 0.023 1
1 230 . 11 1 1 A 21 21 LYS HA H 21 5.369 5.185 0.184 1
1 239 . 11 1 1 A 21 21 LYS C C 21 172.859 175.506 -2.647 1
1 240 . 11 1 1 A 21 21 LYS CA C 21 55.508 54.799 0.709 1
1 241 . 11 1 1 A 21 21 LYS CB C 21 34.795 35.019 -0.224 1
1 245 . 11 1 1 A 21 21 LYS N N 21 121.269 125.961 -4.692 1
1 246 . 11 1 1 A 22 22 CYS H H 22 8.905 9.132 -0.227 1
1 247 . 11 1 1 A 22 22 CYS HA H 22 5.527 5.188 0.339 1
1 250 . 11 1 1 A 22 22 CYS C C 22 174.204 172.976 1.228 1
1 251 . 11 1 1 A 22 22 CYS CA C 22 55.584 57.647 -2.063 1
1 252 . 11 1 1 A 22 22 CYS CB C 22 30.941 32.784 -1.843 1
1 253 . 11 1 1 A 22 22 CYS N N 22 110.073 120.858 -10.785 1
1 254 . 11 1 1 A 23 23 VAL H H 23 9.325 9.285 0.040 1
1 255 . 11 1 1 A 23 23 VAL HA H 23 4.761 4.591 0.170 1
1 263 . 11 1 1 A 23 23 VAL C C 23 171.121 175.953 -4.832 1
1 264 . 11 1 1 A 23 23 VAL CA C 23 60.552 61.107 -0.555 1
1 265 . 11 1 1 A 23 23 VAL CB C 23 35.141 33.831 1.310 1
1 268 . 11 1 1 A 23 23 VAL N N 23 119.042 121.985 -2.943 1
1 269 . 11 1 1 A 24 24 ILE H H 24 8.239 9.198 -0.959 1
1 270 . 11 1 1 A 24 24 ILE HA H 24 4.239 4.122 0.117 1
1 280 . 11 1 1 A 24 24 ILE C C 24 175.805 175.675 0.130 1
1 281 . 11 1 1 A 24 24 ILE CA C 24 62.552 62.184 0.368 1
1 282 . 11 1 1 A 24 24 ILE CB C 24 36.819 37.269 -0.450 1
1 286 . 11 1 1 A 24 24 ILE N N 24 124.259 127.594 -3.335 1
1 287 . 11 1 1 A 25 25 VAL H H 25 9.205 8.777 0.428 1
1 288 . 11 1 1 A 25 25 VAL HA H 25 4.689 4.162 0.527 1
1 296 . 11 1 1 A 25 25 VAL C C 25 175.650 175.942 -0.292 1
1 297 . 11 1 1 A 25 25 VAL CA C 25 60.947 63.621 -2.674 1
1 298 . 11 1 1 A 25 25 VAL CB C 25 32.986 32.924 0.062 1
1 301 . 11 1 1 A 25 25 VAL N N 25 121.805 128.232 -6.427 1
1 302 . 11 1 1 A 26 26 ASP H H 26 8.103 8.018 0.085 1
1 303 . 11 1 1 A 26 26 ASP HA H 26 4.771 5.097 -0.326 1
1 306 . 11 1 1 A 26 26 ASP C C 26 174.343 174.103 0.240 1
1 307 . 11 1 1 A 26 26 ASP CA C 26 53.671 52.809 0.862 1
1 308 . 11 1 1 A 26 26 ASP CB C 26 43.563 43.793 -0.230 1
1 309 . 11 1 1 A 26 26 ASP N N 26 118.459 118.533 -0.074 1
1 310 . 11 1 1 A 27 27 ILE H H 27 9.092 8.921 0.171 1
1 311 . 11 1 1 A 27 27 ILE HA H 27 4.273 4.256 0.017 1
1 321 . 11 1 1 A 27 27 ILE C C 27 173.976 175.331 -1.355 1
1 322 . 11 1 1 A 27 27 ILE CA C 27 60.306 61.212 -0.906 1
1 323 . 11 1 1 A 27 27 ILE CB C 27 38.339 36.963 1.376 1
1 327 . 11 1 1 A 27 27 ILE N N 27 124.375 127.069 -2.694 1
1 328 . 11 1 1 A 28 28 ILE H H 28 8.055 8.898 -0.843 1
1 329 . 11 1 1 A 28 28 ILE HA H 28 3.986 4.019 -0.033 1
1 339 . 11 1 1 A 28 28 ILE C C 28 174.733 175.651 -0.918 1
1 340 . 11 1 1 A 28 28 ILE CA C 28 62.414 63.534 -1.120 1
1 341 . 11 1 1 A 28 28 ILE CB C 28 37.450 38.454 -1.004 1
1 345 . 11 1 1 A 28 28 ILE N N 28 127.525 129.665 -2.140 1
1 346 . 11 1 1 A 29 29 ASP H H 29 8.438 8.256 0.182 1
1 347 . 11 1 1 A 29 29 ASP HA H 29 4.522 4.940 -0.418 1
1 350 . 11 1 1 A 29 29 ASP C C 29 175.289 174.815 0.474 1
1 351 . 11 1 1 A 29 29 ASP CA C 29 53.316 52.633 0.683 1
1 352 . 11 1 1 A 29 29 ASP CB C 29 39.450 43.843 -4.393 1
1 353 . 11 1 1 A 29 29 ASP N N 29 118.886 117.709 1.177 1
1 354 . 11 1 1 A 30 30 ASP H H 30 8.140 8.819 -0.679 1
1 355 . 11 1 1 A 30 30 ASP HA H 30 4.375 4.415 -0.040 1
1 358 . 11 1 1 A 30 30 ASP C C 30 174.332 176.889 -2.557 1
1 359 . 11 1 1 A 30 30 ASP CA C 30 56.171 56.428 -0.257 1
1 360 . 11 1 1 A 30 30 ASP CB C 30 40.302 40.712 -0.410 1
1 361 . 11 1 1 A 30 30 ASP N N 30 112.219 122.875 -10.656 1
1 362 . 11 1 1 A 31 31 ASN H H 31 8.866 8.247 0.619 1
1 363 . 11 1 1 A 31 31 ASN HA H 31 4.805 4.673 0.132 1
1 366 . 11 1 1 A 31 31 ASN C C 31 175.926 174.733 1.193 1
1 367 . 11 1 1 A 31 31 ASN CA C 31 54.015 54.411 -0.396 1
1 368 . 11 1 1 A 31 31 ASN CB C 31 42.366 40.454 1.912 1
1 369 . 11 1 1 A 31 31 ASN N N 31 114.650 116.100 -1.450 1
1 370 . 11 1 1 A 32 32 PHE H H 32 8.481 7.593 0.888 1
1 371 . 11 1 1 A 32 32 PHE HA H 32 5.279 5.202 0.077 1
1 376 . 11 1 1 A 32 32 PHE C C 32 173.451 175.470 -2.019 1
1 377 . 11 1 1 A 32 32 PHE CA C 32 57.629 56.903 0.726 1
1 378 . 11 1 1 A 32 32 PHE CB C 32 42.418 41.228 1.190 1
1 379 . 11 1 1 A 32 32 PHE N N 32 117.648 115.421 2.227 1
1 380 . 11 1 1 A 33 33 VAL H H 33 8.680 9.195 -0.515 1
1 381 . 11 1 1 A 33 33 VAL HA H 33 4.720 5.064 -0.344 1
1 389 . 11 1 1 A 33 33 VAL C C 33 174.458 173.484 0.974 1
1 390 . 11 1 1 A 33 33 VAL CA C 33 58.331 59.482 -1.151 1
1 391 . 11 1 1 A 33 33 VAL CB C 33 34.410 36.191 -1.781 1
1 394 . 11 1 1 A 33 33 VAL N N 33 110.814 116.527 -5.713 1
1 395 . 11 1 1 A 34 34 LEU H H 34 8.696 9.196 -0.500 1
1 396 . 11 1 1 A 34 34 LEU HA H 34 4.871 5.324 -0.453 1
1 406 . 11 1 1 A 34 34 LEU C C 34 172.716 175.297 -2.581 1
1 407 . 11 1 1 A 34 34 LEU CA C 34 53.776 53.430 0.346 1
1 408 . 11 1 1 A 34 34 LEU CB C 34 44.582 44.571 0.011 1
1 412 . 11 1 1 A 34 34 LEU N N 34 123.160 124.670 -1.510 1
1 413 . 11 1 1 A 35 35 VAL H H 35 8.460 8.850 -0.390 1
1 414 . 11 1 1 A 35 35 VAL HA H 35 5.674 5.014 0.660 1
1 422 . 11 1 1 A 35 35 VAL C C 35 176.009 174.494 1.515 1
1 423 . 11 1 1 A 35 35 VAL CA C 35 57.423 59.826 -2.403 1
1 424 . 11 1 1 A 35 35 VAL CB C 35 35.541 34.354 1.187 1
1 427 . 11 1 1 A 35 35 VAL N N 35 119.184 121.893 -2.709 1
1 428 . 11 1 1 A 36 36 THR H H 36 8.362 8.973 -0.611 1
1 429 . 11 1 1 A 36 36 THR HA H 36 4.535 4.923 -0.388 1
1 434 . 11 1 1 A 36 36 THR C C 36 173.498 174.408 -0.910 1
1 435 . 11 1 1 A 36 36 THR CA C 36 59.643 61.049 -1.406 1
1 436 . 11 1 1 A 36 36 THR CB C 36 70.439 70.489 -0.050 1
1 438 . 11 1 1 A 36 36 THR N N 36 109.151 119.737 -10.586 1
1 439 . 11 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 11 1 1 A 37 37 GLY C C 37 172.460 172.935 -0.475 1
1 441 . 11 1 1 A 37 37 GLY CA C 37 51.421 43.945 7.476 1
1 442 . 11 1 1 A 37 37 GLY N N 37 115.474 115.389 0.085 1
1 443 . 11 1 1 A 38 38 PRO HA H 38 5.235 4.583 0.652 1
1 450 . 11 1 1 A 38 38 PRO CA C 38 60.459 62.953 -2.494 1
1 451 . 11 1 1 A 38 38 PRO CB C 38 35.517 31.691 3.826 1
1 454 . 11 1 1 A 39 39 LYS H H 39 9.463 8.804 0.659 1
1 455 . 11 1 1 A 39 39 LYS HA H 39 3.545 4.141 -0.596 1
1 464 . 11 1 1 A 39 39 LYS C C 39 179.019 177.306 1.713 1
1 465 . 11 1 1 A 39 39 LYS CA C 39 60.344 59.572 0.772 1
1 466 . 11 1 1 A 39 39 LYS CB C 39 31.826 31.942 -0.116 1
1 470 . 11 1 1 A 39 39 LYS N N 39 127.869 125.528 2.341 1
1 471 . 11 1 1 A 40 40 ASP H H 40 9.035 8.081 0.954 1
1 472 . 11 1 1 A 40 40 ASP HA H 40 4.375 4.416 -0.041 1
1 475 . 11 1 1 A 40 40 ASP C C 40 177.615 178.105 -0.490 1
1 476 . 11 1 1 A 40 40 ASP CA C 40 55.080 56.705 -1.625 1
1 477 . 11 1 1 A 40 40 ASP CB C 40 39.209 40.854 -1.645 1
1 478 . 11 1 1 A 40 40 ASP N N 40 115.744 119.308 -3.564 1
1 479 . 11 1 1 A 41 41 ILE H H 41 7.739 7.679 0.060 1
1 480 . 11 1 1 A 41 41 ILE HA H 41 4.218 3.901 0.317 1
1 490 . 11 1 1 A 41 41 ILE C C 41 174.826 177.702 -2.876 1
1 491 . 11 1 1 A 41 41 ILE CA C 41 61.664 63.954 -2.290 1
1 492 . 11 1 1 A 41 41 ILE CB C 41 37.453 37.800 -0.347 1
1 496 . 11 1 1 A 41 41 ILE N N 41 116.447 118.498 -2.051 1
1 497 . 11 1 1 A 42 42 THR H H 42 7.766 7.544 0.222 1
1 498 . 11 1 1 A 42 42 THR HA H 42 4.734 4.151 0.583 1
1 503 . 11 1 1 A 42 42 THR C C 42 175.827 174.615 1.212 1
1 504 . 11 1 1 A 42 42 THR CA C 42 60.110 64.561 -4.451 1
1 505 . 11 1 1 A 42 42 THR CB C 42 71.791 69.361 2.430 1
1 507 . 11 1 1 A 42 42 THR N N 42 104.054 112.975 -8.921 1
1 508 . 11 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 11 1 1 A 43 43 GLY HA2 H 43 4.461 4.018 0.443 1
1 510 . 11 1 1 A 43 43 GLY HA3 H 43 3.836 4.020 -0.184 1
1 511 . 11 1 1 A 43 43 GLY C C 43 175.208 174.081 1.127 1
1 512 . 11 1 1 A 43 43 GLY CA C 43 44.826 44.972 -0.146 1
1 513 . 11 1 1 A 43 43 GLY N N 43 109.006 108.459 0.547 1
1 514 . 11 1 1 A 44 44 VAL H H 44 7.289 7.491 -0.202 1
1 515 . 11 1 1 A 44 44 VAL HA H 44 3.945 4.144 -0.199 1
1 523 . 11 1 1 A 44 44 VAL C C 44 173.149 175.377 -2.228 1
1 524 . 11 1 1 A 44 44 VAL CA C 44 62.902 61.925 0.977 1
1 525 . 11 1 1 A 44 44 VAL CB C 44 31.715 32.682 -0.967 1
1 528 . 11 1 1 A 44 44 VAL N N 44 120.903 122.504 -1.601 1
1 529 . 11 1 1 A 45 45 LYS H H 45 8.308 8.662 -0.354 1
1 530 . 11 1 1 A 45 45 LYS HA H 45 4.190 4.880 -0.690 1
1 539 . 11 1 1 A 45 45 LYS C C 45 175.177 176.128 -0.951 1
1 540 . 11 1 1 A 45 45 LYS CA C 45 56.355 53.929 2.426 1
1 541 . 11 1 1 A 45 45 LYS CB C 45 33.385 35.265 -1.880 1
1 545 . 11 1 1 A 45 45 LYS N N 45 128.406 125.664 2.742 1
1 546 . 11 1 1 A 46 46 ARG H H 46 8.080 8.434 -0.354 1
1 547 . 11 1 1 A 46 46 ARG HA H 46 5.720 4.766 0.954 1
1 554 . 11 1 1 A 46 46 ARG C C 46 173.780 176.097 -2.317 1
1 555 . 11 1 1 A 46 46 ARG CA C 46 54.888 56.252 -1.364 1
1 556 . 11 1 1 A 46 46 ARG CB C 46 29.630 30.476 -0.846 1
1 559 . 11 1 1 A 46 46 ARG N N 46 120.129 121.348 -1.219 1
1 560 . 11 1 1 A 47 47 ARG H H 47 8.452 8.430 0.022 1
1 561 . 11 1 1 A 47 47 ARG HA H 47 4.732 4.929 -0.197 1
1 568 . 11 1 1 A 47 47 ARG C C 47 176.138 174.828 1.310 1
1 569 . 11 1 1 A 47 47 ARG CA C 47 54.319 54.037 0.282 1
1 570 . 11 1 1 A 47 47 ARG CB C 47 33.746 34.670 -0.924 1
1 573 . 11 1 1 A 47 47 ARG N N 47 126.780 122.199 4.581 1
1 574 . 11 1 1 A 48 48 ARG H H 48 8.546 8.453 0.093 1
1 575 . 11 1 1 A 48 48 ARG HA H 48 5.111 5.032 0.079 1
1 582 . 11 1 1 A 48 48 ARG C C 48 174.339 175.017 -0.678 1
1 583 . 11 1 1 A 48 48 ARG CA C 48 55.524 55.380 0.144 1
1 584 . 11 1 1 A 48 48 ARG CB C 48 31.132 30.875 0.257 1
1 587 . 11 1 1 A 48 48 ARG N N 48 121.931 121.286 0.645 1
1 588 . 11 1 1 A 49 49 VAL H H 49 9.485 8.770 0.715 1
1 589 . 11 1 1 A 49 49 VAL HA H 49 4.651 5.009 -0.358 1
1 597 . 11 1 1 A 49 49 VAL C C 49 176.112 174.573 1.539 1
1 598 . 11 1 1 A 49 49 VAL CA C 49 60.040 59.522 0.518 1
1 599 . 11 1 1 A 49 49 VAL CB C 49 36.427 35.840 0.587 1
1 602 . 11 1 1 A 49 49 VAL N N 49 122.891 122.679 0.212 1
1 603 . 11 1 1 A 50 50 ASN H H 50 8.569 8.640 -0.071 1
1 604 . 11 1 1 A 50 50 ASN HA H 50 4.213 5.360 -1.147 1
1 607 . 11 1 1 A 50 50 ASN C C 50 173.258 176.200 -2.942 1
1 608 . 11 1 1 A 50 50 ASN CA C 50 52.732 52.126 0.606 1
1 609 . 11 1 1 A 50 50 ASN CB C 50 38.173 39.577 -1.404 1
1 610 . 11 1 1 A 50 50 ASN N N 50 125.736 123.292 2.444 1
1 611 . 11 1 1 A 51 51 ILE H H 51 8.601 8.955 -0.354 1
1 612 . 11 1 1 A 51 51 ILE HA H 51 3.632 3.967 -0.335 1
1 622 . 11 1 1 A 51 51 ILE C C 51 176.785 178.039 -1.254 1
1 623 . 11 1 1 A 51 51 ILE CA C 51 65.046 63.605 1.441 1
1 624 . 11 1 1 A 51 51 ILE CB C 51 38.532 37.465 1.067 1
1 628 . 11 1 1 A 51 51 ILE N N 51 126.454 122.047 4.407 1
1 629 . 11 1 1 A 52 52 LEU H H 52 8.448 7.668 0.780 1
1 630 . 11 1 1 A 52 52 LEU HA H 52 4.290 4.067 0.223 1
1 640 . 11 1 1 A 52 52 LEU C C 52 176.765 177.652 -0.887 1
1 641 . 11 1 1 A 52 52 LEU CA C 52 55.880 57.086 -1.206 1
1 642 . 11 1 1 A 52 52 LEU CB C 52 40.983 41.509 -0.526 1
1 646 . 11 1 1 A 52 52 LEU N N 52 118.365 121.759 -3.394 1
1 647 . 11 1 1 A 53 53 HIS H H 53 8.358 7.565 0.793 1
1 648 . 11 1 1 A 53 53 HIS HA H 53 4.621 4.798 -0.177 1
1 651 . 11 1 1 A 53 53 HIS C C 53 178.018 174.315 3.703 1
1 652 . 11 1 1 A 53 53 HIS CA C 53 53.996 55.923 -1.927 1
1 653 . 11 1 1 A 53 53 HIS CB C 53 30.306 30.965 -0.659 1
1 654 . 11 1 1 A 53 53 HIS N N 53 116.672 115.697 0.975 1
1 655 . 11 1 1 A 54 54 LEU H H 54 7.693 7.284 0.409 1
1 656 . 11 1 1 A 54 54 LEU HA H 54 5.222 4.869 0.353 1
1 666 . 11 1 1 A 54 54 LEU C C 54 173.609 174.106 -0.497 1
1 667 . 11 1 1 A 54 54 LEU CA C 54 52.932 54.335 -1.403 1
1 668 . 11 1 1 A 54 54 LEU CB C 54 45.943 45.864 0.079 1
1 672 . 11 1 1 A 54 54 LEU N N 54 119.311 120.157 -0.846 1
1 673 . 11 1 1 A 55 55 GLU H H 55 9.073 8.795 0.278 1
1 674 . 11 1 1 A 55 55 GLU C C 55 175.102 174.011 1.091 1
1 675 . 11 1 1 A 55 55 GLU CA C 55 52.073 52.411 -0.338 1
1 676 . 11 1 1 A 55 55 GLU CB C 55 31.958 31.430 0.528 1
1 677 . 11 1 1 A 55 55 GLU N N 55 120.139 125.471 -5.332 1
1 678 . 11 1 1 A 56 56 PRO HA H 56 4.903 4.503 0.400 1
1 685 . 11 1 1 A 56 56 PRO CA C 56 63.121 63.285 -0.164 1
1 686 . 11 1 1 A 56 56 PRO CB C 56 32.274 32.212 0.062 1
1 689 . 11 1 1 A 57 57 THR H H 57 8.502 8.785 -0.283 1
1 690 . 11 1 1 A 57 57 THR HA H 57 4.932 4.558 0.374 1
1 695 . 11 1 1 A 57 57 THR C C 57 175.894 175.058 0.836 1
1 696 . 11 1 1 A 57 57 THR CA C 57 60.602 60.639 -0.037 1
1 697 . 11 1 1 A 57 57 THR CB C 57 71.821 71.459 0.362 1
1 699 . 11 1 1 A 57 57 THR N N 57 113.388 113.209 0.179 1
1 700 . 11 1 1 A 58 58 ASP H H 58 8.605 8.812 -0.207 1
1 701 . 11 1 1 A 58 58 ASP HA H 58 4.445 4.420 0.025 1
1 704 . 11 1 1 A 58 58 ASP C C 58 173.673 176.058 -2.385 1
1 705 . 11 1 1 A 58 58 ASP CA C 58 53.743 56.893 -3.150 1
1 706 . 11 1 1 A 58 58 ASP CB C 58 39.622 40.892 -1.270 1
1 707 . 11 1 1 A 58 58 ASP N N 58 115.340 121.231 -5.891 1
1 708 . 11 1 1 A 59 59 LYS H H 59 8.544 7.690 0.854 1
1 709 . 11 1 1 A 59 59 LYS HA H 59 4.646 4.643 0.003 1
1 718 . 11 1 1 A 59 59 LYS C C 59 174.972 175.655 -0.683 1
1 719 . 11 1 1 A 59 59 LYS CA C 59 54.336 54.821 -0.485 1
1 720 . 11 1 1 A 59 59 LYS CB C 59 34.626 34.035 0.591 1
1 724 . 11 1 1 A 59 59 LYS N N 59 119.488 118.660 0.828 1
1 725 . 11 1 1 A 60 60 LYS H H 60 8.227 8.472 -0.245 1
1 726 . 11 1 1 A 60 60 LYS HA H 60 4.999 4.810 0.189 1
1 735 . 11 1 1 A 60 60 LYS C C 60 174.256 174.525 -0.269 1
1 736 . 11 1 1 A 60 60 LYS CA C 60 54.465 55.431 -0.966 1
1 737 . 11 1 1 A 60 60 LYS CB C 60 36.153 36.751 -0.598 1
1 741 . 11 1 1 A 60 60 LYS N N 60 121.112 121.974 -0.862 1
1 742 . 11 1 1 A 61 61 ILE H H 61 8.527 9.150 -0.623 1
1 743 . 11 1 1 A 61 61 ILE HA H 61 4.724 4.971 -0.247 1
1 753 . 11 1 1 A 61 61 ILE C C 61 174.330 173.918 0.412 1
1 754 . 11 1 1 A 61 61 ILE CA C 61 58.831 59.132 -0.301 1
1 755 . 11 1 1 A 61 61 ILE CB C 61 41.357 40.932 0.425 1
1 759 . 11 1 1 A 61 61 ILE N N 61 116.027 119.866 -3.839 1
1 760 . 11 1 1 A 62 62 ASP H H 62 8.513 8.794 -0.281 1
1 761 . 11 1 1 A 62 62 ASP HA H 62 4.732 4.905 -0.173 1
1 764 . 11 1 1 A 62 62 ASP C C 62 174.224 175.546 -1.322 1
1 765 . 11 1 1 A 62 62 ASP CA C 62 53.163 53.322 -0.159 1
1 766 . 11 1 1 A 62 62 ASP CB C 62 39.686 41.259 -1.573 1
1 767 . 11 1 1 A 62 62 ASP N N 62 121.643 125.420 -3.777 1
1 768 . 11 1 1 A 63 63 ILE H H 63 7.389 8.773 -1.384 1
1 769 . 11 1 1 A 63 63 ILE HA H 63 4.641 5.065 -0.424 1
1 779 . 11 1 1 A 63 63 ILE C C 63 174.484 174.813 -0.329 1
1 780 . 11 1 1 A 63 63 ILE CA C 63 58.244 58.312 -0.068 1
1 781 . 11 1 1 A 63 63 ILE CB C 63 41.811 42.221 -0.410 1
1 785 . 11 1 1 A 63 63 ILE N N 63 114.509 120.250 -5.741 1
1 786 . 11 1 1 A 64 64 GLN H H 64 8.529 8.417 0.112 1
1 787 . 11 1 1 A 64 64 GLN HA H 64 4.390 4.518 -0.128 1
1 792 . 11 1 1 A 64 64 GLN C C 64 174.409 175.341 -0.932 1
1 793 . 11 1 1 A 64 64 GLN CA C 64 53.860 54.786 -0.926 1
1 794 . 11 1 1 A 64 64 GLN CB C 64 30.086 30.742 -0.656 1
1 796 . 11 1 1 A 64 64 GLN N N 64 119.145 121.656 -2.511 1
1 797 . 11 1 1 A 65 65 LYS H H 65 8.323 8.593 -0.270 1
1 798 . 11 1 1 A 65 65 LYS HA H 65 4.132 4.381 -0.249 1
1 807 . 11 1 1 A 65 65 LYS C C 65 174.920 177.257 -2.337 1
1 808 . 11 1 1 A 65 65 LYS CA C 65 57.603 57.490 0.113 1
1 809 . 11 1 1 A 65 65 LYS CB C 65 32.341 32.683 -0.342 1
1 813 . 11 1 1 A 65 65 LYS N N 65 119.780 123.272 -3.492 1
1 814 . 11 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 11 1 1 A 66 66 GLY HA2 H 66 4.093 4.160 -0.067 1
1 816 . 11 1 1 A 66 66 GLY HA3 H 66 3.297 4.161 -0.864 1
1 817 . 11 1 1 A 66 66 GLY C C 66 177.892 174.175 3.717 1
1 818 . 11 1 1 A 66 66 GLY CA C 66 44.953 45.519 -0.566 1
1 819 . 11 1 1 A 66 66 GLY N N 66 112.449 113.751 -1.302 1
1 820 . 11 1 1 A 67 67 ALA H H 67 7.545 8.006 -0.461 1
1 821 . 11 1 1 A 67 67 ALA HA H 67 4.081 4.814 -0.733 1
1 825 . 11 1 1 A 67 67 ALA C C 67 173.517 176.996 -3.479 1
1 826 . 11 1 1 A 67 67 ALA CA C 67 52.802 50.879 1.923 1
1 827 . 11 1 1 A 67 67 ALA CB C 67 20.424 21.494 -1.070 1
1 828 . 11 1 1 A 67 67 ALA N N 67 121.516 123.851 -2.335 1
1 829 . 11 1 1 A 68 68 SER H H 68 8.904 8.821 0.083 1
1 830 . 11 1 1 A 68 68 SER HA H 68 4.261 5.078 -0.817 1
1 833 . 11 1 1 A 68 68 SER C C 68 177.019 174.951 2.068 1
1 834 . 11 1 1 A 68 68 SER CA C 68 57.321 55.995 1.326 1
1 835 . 11 1 1 A 68 68 SER CB C 68 65.064 66.819 -1.755 1
1 836 . 11 1 1 A 68 68 SER N N 68 119.470 116.624 2.846 1
1 837 . 11 1 1 A 69 69 ASP H H 69 9.379 8.841 0.538 1
1 838 . 11 1 1 A 69 69 ASP HA H 69 4.184 4.252 -0.068 1
1 841 . 11 1 1 A 69 69 ASP C C 69 173.831 177.809 -3.978 1
1 842 . 11 1 1 A 69 69 ASP CA C 69 57.843 57.916 -0.073 1
1 843 . 11 1 1 A 69 69 ASP CB C 69 39.367 41.100 -1.733 1
1 844 . 11 1 1 A 69 69 ASP N N 69 122.205 121.021 1.184 1
1 845 . 11 1 1 A 70 70 GLU H H 70 8.454 8.446 0.008 1
1 846 . 11 1 1 A 70 70 GLU HA H 70 3.966 4.049 -0.083 1
1 851 . 11 1 1 A 70 70 GLU C C 70 177.979 178.940 -0.961 1
1 852 . 11 1 1 A 70 70 GLU CA C 70 59.987 59.707 0.280 1
1 853 . 11 1 1 A 70 70 GLU CB C 70 28.804 29.137 -0.333 1
1 855 . 11 1 1 A 70 70 GLU N N 70 118.426 118.872 -0.446 1
1 856 . 11 1 1 A 71 71 GLU H H 71 7.835 7.767 0.068 1
1 857 . 11 1 1 A 71 71 GLU HA H 71 4.050 4.083 -0.033 1
1 862 . 11 1 1 A 71 71 GLU C C 71 178.486 179.153 -0.667 1
1 863 . 11 1 1 A 71 71 GLU CA C 71 58.998 59.196 -0.198 1
1 864 . 11 1 1 A 71 71 GLU CB C 71 29.068 29.789 -0.721 1
1 866 . 11 1 1 A 71 71 GLU N N 71 122.166 119.478 2.688 1
1 867 . 11 1 1 A 72 72 VAL H H 72 8.387 8.583 -0.196 1
1 868 . 11 1 1 A 72 72 VAL HA H 72 3.295 3.522 -0.227 1
1 876 . 11 1 1 A 72 72 VAL C C 72 178.603 177.368 1.235 1
1 877 . 11 1 1 A 72 72 VAL CA C 72 66.989 67.107 -0.118 1
1 878 . 11 1 1 A 72 72 VAL CB C 72 31.242 31.416 -0.174 1
1 881 . 11 1 1 A 72 72 VAL N N 72 118.871 120.226 -1.355 1
1 882 . 11 1 1 A 73 73 LYS H H 73 8.619 8.131 0.488 1
1 883 . 11 1 1 A 73 73 LYS HA H 73 3.734 3.949 -0.215 1
1 892 . 11 1 1 A 73 73 LYS C C 73 177.118 179.326 -2.208 1
1 893 . 11 1 1 A 73 73 LYS CA C 73 60.695 59.892 0.803 1
1 894 . 11 1 1 A 73 73 LYS CB C 73 32.320 32.392 -0.072 1
1 898 . 11 1 1 A 73 73 LYS N N 73 118.351 119.025 -0.674 1
1 899 . 11 1 1 A 74 74 LYS H H 74 7.886 7.687 0.199 1
1 900 . 11 1 1 A 74 74 LYS HA H 74 4.133 4.125 0.008 1
1 909 . 11 1 1 A 74 74 LYS C C 74 178.306 179.567 -1.261 1
1 910 . 11 1 1 A 74 74 LYS CA C 74 58.954 59.466 -0.512 1
1 911 . 11 1 1 A 74 74 LYS CB C 74 31.974 32.103 -0.129 1
1 915 . 11 1 1 A 74 74 LYS N N 74 118.808 119.054 -0.246 1
1 916 . 11 1 1 A 75 75 LYS H H 75 8.118 7.970 0.148 1
1 917 . 11 1 1 A 75 75 LYS HA H 75 4.228 4.077 0.151 1
1 926 . 11 1 1 A 75 75 LYS C C 75 178.795 179.895 -1.100 1
1 927 . 11 1 1 A 75 75 LYS CA C 75 57.158 59.235 -2.077 1
1 928 . 11 1 1 A 75 75 LYS CB C 75 31.382 31.971 -0.589 1
1 932 . 11 1 1 A 75 75 LYS N N 75 118.374 119.544 -1.170 1
1 933 . 11 1 1 A 76 76 LEU H H 76 8.778 8.781 -0.003 1
1 934 . 11 1 1 A 76 76 LEU HA H 76 3.931 4.072 -0.141 1
1 944 . 11 1 1 A 76 76 LEU C C 76 180.241 179.458 0.783 1
1 945 . 11 1 1 A 76 76 LEU CA C 76 58.203 57.564 0.639 1
1 946 . 11 1 1 A 76 76 LEU CB C 76 42.015 40.869 1.146 1
1 950 . 11 1 1 A 76 76 LEU N N 76 121.253 120.748 0.505 1
1 951 . 11 1 1 A 77 77 GLU H H 77 7.951 8.260 -0.309 1
1 952 . 11 1 1 A 77 77 GLU HA H 77 4.227 3.992 0.235 1
1 957 . 11 1 1 A 77 77 GLU C C 77 178.403 179.331 -0.928 1
1 958 . 11 1 1 A 77 77 GLU CA C 77 58.892 59.728 -0.836 1
1 959 . 11 1 1 A 77 77 GLU CB C 77 28.925 29.275 -0.350 1
1 961 . 11 1 1 A 77 77 GLU N N 77 119.306 120.174 -0.868 1
1 962 . 11 1 1 A 78 78 GLU H H 78 8.595 7.987 0.608 1
1 963 . 11 1 1 A 78 78 GLU HA H 78 4.099 4.101 -0.002 1
1 968 . 11 1 1 A 78 78 GLU C C 78 180.586 178.242 2.344 1
1 969 . 11 1 1 A 78 78 GLU CA C 78 58.850 59.193 -0.343 1
1 970 . 11 1 1 A 78 78 GLU CB C 78 29.878 29.892 -0.014 1
1 972 . 11 1 1 A 78 78 GLU N N 78 120.814 121.204 -0.390 1
1 973 . 11 1 1 A 79 79 SER H H 79 7.519 7.922 -0.403 1
1 974 . 11 1 1 A 79 79 SER HA H 79 4.592 4.542 0.050 1
1 977 . 11 1 1 A 79 79 SER C C 79 177.761 173.463 4.298 1
1 978 . 11 1 1 A 79 79 SER CA C 79 58.324 58.229 0.095 1
1 979 . 11 1 1 A 79 79 SER CB C 79 63.796 63.490 0.306 1
1 980 . 11 1 1 A 79 79 SER N N 79 110.823 111.981 -1.158 1
1 981 . 11 1 1 A 80 80 ASN H H 80 8.126 8.007 0.119 1
1 982 . 11 1 1 A 80 80 ASN HA H 80 4.700 4.675 0.025 1
1 985 . 11 1 1 A 80 80 ASN C C 80 172.562 174.887 -2.325 1
1 986 . 11 1 1 A 80 80 ASN CA C 80 53.603 54.566 -0.963 1
1 987 . 11 1 1 A 80 80 ASN CB C 80 36.754 36.822 -0.068 1
1 988 . 11 1 1 A 80 80 ASN N N 80 117.027 116.605 0.422 1
1 989 . 11 1 1 A 81 81 LEU H H 81 8.526 7.780 0.746 1
1 990 . 11 1 1 A 81 81 LEU HA H 81 4.767 4.377 0.390 1
1 1000 . 11 1 1 A 81 81 LEU C C 81 175.743 178.168 -2.425 1
1 1001 . 11 1 1 A 81 81 LEU CA C 81 54.008 55.402 -1.394 1
1 1002 . 11 1 1 A 81 81 LEU CB C 81 45.026 42.462 2.564 1
1 1006 . 11 1 1 A 81 81 LEU N N 81 114.910 119.415 -4.505 1
1 1007 . 11 1 1 A 82 82 THR H H 82 7.848 7.869 -0.021 1
1 1008 . 11 1 1 A 82 82 THR HA H 82 4.117 4.082 0.035 1
1 1013 . 11 1 1 A 82 82 THR C C 82 176.676 176.436 0.240 1
1 1014 . 11 1 1 A 82 82 THR CA C 82 67.474 66.540 0.934 1
1 1015 . 11 1 1 A 82 82 THR CB C 82 68.235 68.319 -0.084 1
1 1017 . 11 1 1 A 82 82 THR N N 82 117.802 113.394 4.408 1
1 1018 . 11 1 1 A 83 83 GLU H H 83 8.335 7.918 0.417 1
1 1019 . 11 1 1 A 83 83 GLU HA H 83 3.915 3.973 -0.058 1
1 1024 . 11 1 1 A 83 83 GLU C C 83 175.177 178.455 -3.278 1
1 1025 . 11 1 1 A 83 83 GLU CA C 83 59.541 59.588 -0.047 1
1 1026 . 11 1 1 A 83 83 GLU CB C 83 27.819 29.453 -1.634 1
1 1028 . 11 1 1 A 83 83 GLU N N 83 118.314 121.449 -3.135 1
1 1029 . 11 1 1 A 84 84 TYR H H 84 8.043 8.343 -0.300 1
1 1030 . 11 1 1 A 84 84 TYR HA H 84 4.111 4.117 -0.006 1
1 1037 . 11 1 1 A 84 84 TYR C C 84 179.081 177.563 1.518 1
1 1038 . 11 1 1 A 84 84 TYR CA C 84 60.788 61.117 -0.329 1
1 1039 . 11 1 1 A 84 84 TYR CB C 84 37.753 38.646 -0.893 1
1 1040 . 11 1 1 A 84 84 TYR N N 84 121.386 121.434 -0.048 1
1 1041 . 11 1 1 A 85 85 MET H H 85 8.101 7.867 0.234 1
1 1042 . 11 1 1 A 85 85 MET HA H 85 4.259 4.315 -0.056 1
1 1047 . 11 1 1 A 85 85 MET C C 85 178.628 177.483 1.145 1
1 1048 . 11 1 1 A 85 85 MET CA C 85 55.244 57.164 -1.920 1
1 1049 . 11 1 1 A 85 85 MET CB C 85 29.597 31.874 -2.277 1
1 1051 . 11 1 1 A 85 85 MET N N 85 116.695 117.113 -0.418 1
1 1052 . 11 1 1 A 86 86 LYS H H 86 7.301 7.729 -0.428 1
1 1053 . 11 1 1 A 86 86 LYS HA H 86 3.937 4.253 -0.316 1
1 1062 . 11 1 1 A 86 86 LYS C C 86 175.934 176.680 -0.746 1
1 1063 . 11 1 1 A 86 86 LYS CA C 86 57.318 58.007 -0.689 1
1 1064 . 11 1 1 A 86 86 LYS CB C 86 32.956 32.764 0.192 1
1 1068 . 11 1 1 A 86 86 LYS N N 86 114.957 118.746 -3.789 1
1 1069 . 11 1 1 A 87 87 GLU H H 87 7.031 7.520 -0.489 1
1 1070 . 11 1 1 A 87 87 GLU HA H 87 4.185 4.124 0.061 1
1 1075 . 11 1 1 A 87 87 GLU C C 87 176.247 175.510 0.737 1
1 1076 . 11 1 1 A 87 87 GLU CA C 87 55.780 56.759 -0.979 1
1 1077 . 11 1 1 A 87 87 GLU CB C 87 29.358 29.884 -0.526 1
1 1079 . 11 1 1 A 87 87 GLU N N 87 119.315 120.488 -1.173 1
1 1080 . 11 1 1 A 88 88 LYS H H 88 8.466 8.694 -0.228 1
1 1081 . 11 1 1 A 88 88 LYS HA H 88 4.568 4.779 -0.211 1
1 1090 . 11 1 1 A 88 88 LYS C C 88 175.539 175.069 0.470 1
1 1091 . 11 1 1 A 88 88 LYS CA C 88 55.271 54.731 0.540 1
1 1092 . 11 1 1 A 88 88 LYS CB C 88 33.457 33.723 -0.266 1
1 1096 . 11 1 1 A 88 88 LYS N N 88 127.402 128.059 -0.657 1
1 1097 . 11 1 1 A 89 89 ILE H H 89 8.752 8.648 0.104 1
1 1098 . 11 1 1 A 89 89 ILE HA H 89 4.249 4.544 -0.295 1
1 1108 . 11 1 1 A 89 89 ILE C C 89 176.471 175.597 0.874 1
1 1109 . 11 1 1 A 89 89 ILE CA C 89 59.014 59.641 -0.627 1
1 1110 . 11 1 1 A 89 89 ILE CB C 89 38.437 39.743 -1.306 1
1 1114 . 11 1 1 A 89 89 ILE N N 89 122.906 127.457 -4.551 1
1 1115 . 11 1 1 A 90 90 LYS H H 90 8.394 8.703 -0.309 1
1 1116 . 11 1 1 A 90 90 LYS HA H 90 4.284 3.746 0.538 1
1 1125 . 11 1 1 A 90 90 LYS C C 90 175.276 175.079 0.197 1
1 1126 . 11 1 1 A 90 90 LYS CA C 90 55.821 57.214 -1.393 1
1 1127 . 11 1 1 A 90 90 LYS CB C 90 31.860 29.424 2.436 1
1 1131 . 11 1 1 A 90 90 LYS N N 90 125.894 121.310 4.584 1
1 1132 . 11 1 1 A 91 91 ILE H H 91 8.141 7.510 0.631 1
1 1133 . 11 1 1 A 91 91 ILE HA H 91 4.165 4.403 -0.238 1
1 1143 . 11 1 1 A 91 91 ILE C C 91 175.506 174.668 0.838 1
1 1144 . 11 1 1 A 91 91 ILE CA C 91 59.516 60.707 -1.191 1
1 1145 . 11 1 1 A 91 91 ILE CB C 91 37.991 38.828 -0.837 1
1 1149 . 11 1 1 A 91 91 ILE N N 91 124.934 118.608 6.326 1
1 1150 . 11 1 1 A 92 92 ARG H H 92 8.488 8.315 0.173 1
1 1151 . 11 1 1 A 92 92 ARG HA H 92 4.318 4.692 -0.374 1
1 1158 . 11 1 1 A 92 92 ARG C C 92 175.508 173.981 1.527 1
1 1159 . 11 1 1 A 92 92 ARG CA C 92 55.708 55.764 -0.056 1
1 1160 . 11 1 1 A 92 92 ARG CB C 92 30.394 33.467 -3.073 1
1 1163 . 11 1 1 A 92 92 ARG N N 92 126.033 128.766 -2.733 1
1 1164 . 11 1 1 A 93 93 MET H H 93 8.362 8.778 -0.416 1
1 1165 . 11 1 1 A 93 93 MET C C 93 175.367 174.144 1.223 1
1 1166 . 11 1 1 A 93 93 MET CA C 93 52.994 53.319 -0.325 1
1 1167 . 11 1 1 A 93 93 MET CB C 93 32.271 35.007 -2.736 1
1 1168 . 11 1 1 A 93 93 MET N N 93 123.282 124.365 -1.083 1
1 1169 . 11 1 1 A 94 94 PRO HA H 94 4.505 4.538 -0.033 1
1 1176 . 11 1 1 A 94 94 PRO CA C 94 62.884 62.925 -0.041 1
1 1177 . 11 1 1 A 94 94 PRO CB C 94 31.885 31.103 0.782 1
1 1180 . 11 1 1 A 95 95 THR H H 95 8.180 8.725 -0.545 1
1 1181 . 11 1 1 A 95 95 THR HA H 95 4.320 4.968 -0.648 1
1 1186 . 11 1 1 A 95 95 THR C C 95 176.463 172.778 3.685 1
1 1187 . 11 1 1 A 95 95 THR CA C 95 61.391 60.783 0.608 1
1 1188 . 11 1 1 A 95 95 THR CB C 95 69.583 71.692 -2.109 1
1 1190 . 11 1 1 A 95 95 THR N N 95 114.511 119.409 -4.898 1
1 1 . 12 1 1 A 2 2 PRO HA H 2 4.279 4.795 -0.516 1
1 8 . 12 1 1 A 2 2 PRO CA C 2 61.757 62.612 -0.855 1
1 9 . 12 1 1 A 2 2 PRO CB C 2 32.181 31.600 0.581 1
1 12 . 12 1 1 A 3 3 ALA H H 3 8.418 8.318 0.100 1
1 13 . 12 1 1 A 3 3 ALA HA H 3 4.242 4.789 -0.547 1
1 17 . 12 1 1 A 3 3 ALA C C 3 171.733 175.731 -3.998 1
1 18 . 12 1 1 A 3 3 ALA CA C 3 53.120 50.955 2.165 1
1 19 . 12 1 1 A 3 3 ALA CB C 3 19.076 23.969 -4.893 1
1 20 . 12 1 1 A 3 3 ALA N N 3 122.573 124.195 -1.622 1
1 21 . 12 1 1 A 4 4 ILE H H 4 8.389 8.783 -0.394 1
1 22 . 12 1 1 A 4 4 ILE HA H 4 3.730 4.579 -0.849 1
1 32 . 12 1 1 A 4 4 ILE C C 4 177.391 175.032 2.359 1
1 33 . 12 1 1 A 4 4 ILE CA C 4 60.039 60.650 -0.611 1
1 34 . 12 1 1 A 4 4 ILE CB C 4 34.720 37.721 -3.001 1
1 38 . 12 1 1 A 4 4 ILE N N 4 119.283 119.447 -0.164 1
1 39 . 12 1 1 A 5 5 GLU H H 5 6.799 8.900 -2.101 1
1 40 . 12 1 1 A 5 5 GLU HA H 5 4.630 4.851 -0.221 1
1 45 . 12 1 1 A 5 5 GLU C C 5 173.009 176.036 -3.027 1
1 46 . 12 1 1 A 5 5 GLU CA C 5 53.474 54.655 -1.181 1
1 47 . 12 1 1 A 5 5 GLU CB C 5 32.091 32.971 -0.880 1
1 49 . 12 1 1 A 5 5 GLU N N 5 122.616 126.931 -4.315 1
1 50 . 12 1 1 A 6 6 VAL H H 6 8.899 8.472 0.427 1
1 51 . 12 1 1 A 6 6 VAL HA H 6 3.318 4.215 -0.897 1
1 59 . 12 1 1 A 6 6 VAL C C 6 174.172 176.374 -2.202 1
1 60 . 12 1 1 A 6 6 VAL CA C 6 65.581 63.530 2.051 1
1 61 . 12 1 1 A 6 6 VAL CB C 6 30.939 31.334 -0.395 1
1 64 . 12 1 1 A 6 6 VAL N N 6 122.205 122.454 -0.249 1
1 65 . 12 1 1 A 7 7 GLY H H 7 9.478 8.867 0.611 1
1 66 . 12 1 1 A 7 7 GLY HA2 H 7 5.016 3.998 1.018 1
1 67 . 12 1 1 A 7 7 GLY HA3 H 7 3.187 4.003 -0.816 1
1 68 . 12 1 1 A 7 7 GLY C C 7 176.688 173.721 2.967 1
1 69 . 12 1 1 A 7 7 GLY CA C 7 44.580 45.081 -0.501 1
1 70 . 12 1 1 A 7 7 GLY N N 7 115.742 114.761 0.981 1
1 71 . 12 1 1 A 8 8 ARG H H 8 8.128 7.784 0.344 1
1 72 . 12 1 1 A 8 8 ARG HA H 8 4.226 4.547 -0.321 1
1 79 . 12 1 1 A 8 8 ARG C C 8 173.667 175.659 -1.992 1
1 80 . 12 1 1 A 8 8 ARG CA C 8 54.906 54.992 -0.086 1
1 81 . 12 1 1 A 8 8 ARG CB C 8 29.331 31.653 -2.322 1
1 84 . 12 1 1 A 8 8 ARG N N 8 120.180 121.660 -1.480 1
1 85 . 12 1 1 A 9 9 ILE H H 9 8.571 8.630 -0.059 1
1 86 . 12 1 1 A 9 9 ILE HA H 9 4.965 4.355 0.610 1
1 96 . 12 1 1 A 9 9 ILE C C 9 175.361 175.780 -0.419 1
1 97 . 12 1 1 A 9 9 ILE CA C 9 61.241 62.424 -1.183 1
1 98 . 12 1 1 A 9 9 ILE CB C 9 36.712 37.905 -1.193 1
1 102 . 12 1 1 A 9 9 ILE N N 9 129.626 127.588 2.038 1
1 103 . 12 1 1 A 10 10 CYS H H 10 9.614 8.958 0.656 1
1 104 . 12 1 1 A 10 10 CYS HA H 10 5.471 5.496 -0.025 1
1 107 . 12 1 1 A 10 10 CYS C C 10 177.158 173.630 3.528 1
1 108 . 12 1 1 A 10 10 CYS CA C 10 57.088 57.285 -0.197 1
1 109 . 12 1 1 A 10 10 CYS CB C 10 32.935 32.219 0.716 1
1 110 . 12 1 1 A 10 10 CYS N N 10 126.595 125.156 1.439 1
1 111 . 12 1 1 A 11 11 VAL H H 11 8.926 8.883 0.043 1
1 112 . 12 1 1 A 11 11 VAL HA H 11 4.351 4.474 -0.123 1
1 120 . 12 1 1 A 11 11 VAL C C 11 172.010 175.130 -3.120 1
1 121 . 12 1 1 A 11 11 VAL CA C 11 60.857 60.307 0.550 1
1 122 . 12 1 1 A 11 11 VAL CB C 11 33.989 35.019 -1.030 1
1 125 . 12 1 1 A 11 11 VAL N N 11 119.765 120.925 -1.160 1
1 126 . 12 1 1 A 12 12 LYS H H 12 8.961 8.716 0.245 1
1 127 . 12 1 1 A 12 12 LYS HA H 12 4.510 4.239 0.271 1
1 136 . 12 1 1 A 12 12 LYS C C 12 175.625 176.574 -0.949 1
1 137 . 12 1 1 A 12 12 LYS CA C 12 56.422 56.456 -0.034 1
1 138 . 12 1 1 A 12 12 LYS CB C 12 32.726 32.484 0.242 1
1 142 . 12 1 1 A 12 12 LYS N N 12 127.967 128.218 -0.251 1
1 143 . 12 1 1 A 13 13 VAL H H 13 8.522 8.597 -0.075 1
1 144 . 12 1 1 A 13 13 VAL HA H 13 4.518 4.229 0.289 1
1 152 . 12 1 1 A 13 13 VAL C C 13 176.284 175.846 0.438 1
1 153 . 12 1 1 A 13 13 VAL CA C 13 61.492 63.379 -1.887 1
1 154 . 12 1 1 A 13 13 VAL CB C 13 32.089 33.697 -1.608 1
1 157 . 12 1 1 A 13 13 VAL N N 13 118.593 119.151 -0.558 1
1 158 . 12 1 1 A 14 14 LYS H H 14 7.310 7.883 -0.573 1
1 159 . 12 1 1 A 14 14 LYS HA H 14 4.580 4.790 -0.210 1
1 168 . 12 1 1 A 14 14 LYS C C 14 174.043 176.988 -2.945 1
1 169 . 12 1 1 A 14 14 LYS CA C 14 54.090 54.018 0.072 1
1 170 . 12 1 1 A 14 14 LYS CB C 14 36.489 35.629 0.860 1
1 174 . 12 1 1 A 14 14 LYS N N 14 117.809 120.216 -2.407 1
1 175 . 12 1 1 A 15 15 GLY H H 15 8.548 8.807 -0.259 1
1 176 . 12 1 1 A 15 15 GLY HA2 H 15 4.264 3.823 0.441 1
1 177 . 12 1 1 A 15 15 GLY HA3 H 15 3.845 3.827 0.018 1
1 178 . 12 1 1 A 15 15 GLY C C 15 175.166 173.611 1.555 1
1 179 . 12 1 1 A 15 15 GLY CA C 15 43.993 45.561 -1.568 1
1 180 . 12 1 1 A 15 15 GLY N N 15 108.732 110.585 -1.853 1
1 181 . 12 1 1 A 16 16 ARG H H 16 8.618 7.727 0.891 1
1 182 . 12 1 1 A 16 16 ARG HA H 16 4.082 4.519 -0.437 1
1 189 . 12 1 1 A 16 16 ARG C C 16 174.254 175.134 -0.880 1
1 190 . 12 1 1 A 16 16 ARG CA C 16 57.950 55.770 2.180 1
1 191 . 12 1 1 A 16 16 ARG CB C 16 29.776 32.650 -2.874 1
1 194 . 12 1 1 A 16 16 ARG N N 16 120.561 120.535 0.026 1
1 195 . 12 1 1 A 17 17 GLU H H 17 8.935 9.426 -0.491 1
1 196 . 12 1 1 A 17 17 GLU HA H 17 4.190 4.310 -0.120 1
1 201 . 12 1 1 A 17 17 GLU C C 17 177.426 176.048 1.378 1
1 202 . 12 1 1 A 17 17 GLU CA C 17 55.386 58.233 -2.847 1
1 203 . 12 1 1 A 17 17 GLU CB C 17 27.412 29.162 -1.750 1
1 205 . 12 1 1 A 17 17 GLU N N 17 115.930 127.676 -11.746 1
1 206 . 12 1 1 A 18 18 ALA H H 18 7.267 8.753 -1.486 1
1 207 . 12 1 1 A 18 18 ALA HA H 18 3.737 3.957 -0.220 1
1 211 . 12 1 1 A 18 18 ALA C C 18 174.969 177.705 -2.736 1
1 212 . 12 1 1 A 18 18 ALA CA C 18 53.272 52.678 0.594 1
1 213 . 12 1 1 A 18 18 ALA CB C 18 17.382 17.568 -0.186 1
1 214 . 12 1 1 A 18 18 ALA N N 18 120.485 124.748 -4.263 1
1 215 . 12 1 1 A 19 19 GLY H H 19 9.424 8.562 0.862 1
1 216 . 12 1 1 A 19 19 GLY HA2 H 19 4.680 4.103 0.577 1
1 217 . 12 1 1 A 19 19 GLY HA3 H 19 3.451 4.111 -0.660 1
1 218 . 12 1 1 A 19 19 GLY C C 19 178.386 174.233 4.153 1
1 219 . 12 1 1 A 19 19 GLY CA C 19 44.905 45.532 -0.627 1
1 220 . 12 1 1 A 19 19 GLY N N 19 112.194 111.402 0.792 1
1 221 . 12 1 1 A 20 20 SER H H 20 8.162 7.616 0.546 1
1 222 . 12 1 1 A 20 20 SER HA H 20 4.861 4.989 -0.128 1
1 225 . 12 1 1 A 20 20 SER C C 20 173.441 173.709 -0.268 1
1 226 . 12 1 1 A 20 20 SER CA C 20 58.253 55.770 2.483 1
1 227 . 12 1 1 A 20 20 SER CB C 20 64.447 65.940 -1.493 1
1 228 . 12 1 1 A 20 20 SER N N 20 115.207 114.416 0.791 1
1 229 . 12 1 1 A 21 21 LYS H H 21 8.836 8.442 0.394 1
1 230 . 12 1 1 A 21 21 LYS HA H 21 5.369 4.904 0.465 1
1 239 . 12 1 1 A 21 21 LYS C C 21 172.859 175.607 -2.748 1
1 240 . 12 1 1 A 21 21 LYS CA C 21 55.508 55.422 0.086 1
1 241 . 12 1 1 A 21 21 LYS CB C 21 34.795 34.093 0.702 1
1 245 . 12 1 1 A 21 21 LYS N N 21 121.269 121.996 -0.727 1
1 246 . 12 1 1 A 22 22 CYS H H 22 8.905 9.064 -0.159 1
1 247 . 12 1 1 A 22 22 CYS HA H 22 5.527 5.244 0.283 1
1 250 . 12 1 1 A 22 22 CYS C C 22 174.204 172.767 1.437 1
1 251 . 12 1 1 A 22 22 CYS CA C 22 55.584 57.677 -2.093 1
1 252 . 12 1 1 A 22 22 CYS CB C 22 30.941 32.636 -1.695 1
1 253 . 12 1 1 A 22 22 CYS N N 22 110.073 120.877 -10.804 1
1 254 . 12 1 1 A 23 23 VAL H H 23 9.325 8.397 0.928 1
1 255 . 12 1 1 A 23 23 VAL HA H 23 4.761 4.730 0.031 1
1 263 . 12 1 1 A 23 23 VAL C C 23 171.121 175.372 -4.251 1
1 264 . 12 1 1 A 23 23 VAL CA C 23 60.552 60.813 -0.261 1
1 265 . 12 1 1 A 23 23 VAL CB C 23 35.141 34.540 0.601 1
1 268 . 12 1 1 A 23 23 VAL N N 23 119.042 122.339 -3.297 1
1 269 . 12 1 1 A 24 24 ILE H H 24 8.239 8.894 -0.655 1
1 270 . 12 1 1 A 24 24 ILE HA H 24 4.239 4.133 0.106 1
1 280 . 12 1 1 A 24 24 ILE C C 24 175.805 176.131 -0.326 1
1 281 . 12 1 1 A 24 24 ILE CA C 24 62.552 62.075 0.477 1
1 282 . 12 1 1 A 24 24 ILE CB C 24 36.819 37.462 -0.643 1
1 286 . 12 1 1 A 24 24 ILE N N 24 124.259 127.346 -3.087 1
1 287 . 12 1 1 A 25 25 VAL H H 25 9.205 9.144 0.061 1
1 288 . 12 1 1 A 25 25 VAL HA H 25 4.689 4.248 0.441 1
1 296 . 12 1 1 A 25 25 VAL C C 25 175.650 174.850 0.800 1
1 297 . 12 1 1 A 25 25 VAL CA C 25 60.947 63.384 -2.437 1
1 298 . 12 1 1 A 25 25 VAL CB C 25 32.986 33.508 -0.522 1
1 301 . 12 1 1 A 25 25 VAL N N 25 121.805 127.347 -5.542 1
1 302 . 12 1 1 A 26 26 ASP H H 26 8.103 7.746 0.357 1
1 303 . 12 1 1 A 26 26 ASP HA H 26 4.771 5.074 -0.303 1
1 306 . 12 1 1 A 26 26 ASP C C 26 174.343 173.688 0.655 1
1 307 . 12 1 1 A 26 26 ASP CA C 26 53.671 53.802 -0.131 1
1 308 . 12 1 1 A 26 26 ASP CB C 26 43.563 44.267 -0.704 1
1 309 . 12 1 1 A 26 26 ASP N N 26 118.459 120.207 -1.748 1
1 310 . 12 1 1 A 27 27 ILE H H 27 9.092 8.983 0.109 1
1 311 . 12 1 1 A 27 27 ILE HA H 27 4.273 4.359 -0.086 1
1 321 . 12 1 1 A 27 27 ILE C C 27 173.976 175.258 -1.282 1
1 322 . 12 1 1 A 27 27 ILE CA C 27 60.306 60.752 -0.446 1
1 323 . 12 1 1 A 27 27 ILE CB C 27 38.339 37.590 0.749 1
1 327 . 12 1 1 A 27 27 ILE N N 27 124.375 126.004 -1.629 1
1 328 . 12 1 1 A 28 28 ILE H H 28 8.055 8.847 -0.792 1
1 329 . 12 1 1 A 28 28 ILE HA H 28 3.986 4.113 -0.127 1
1 339 . 12 1 1 A 28 28 ILE C C 28 174.733 175.767 -1.034 1
1 340 . 12 1 1 A 28 28 ILE CA C 28 62.414 63.041 -0.627 1
1 341 . 12 1 1 A 28 28 ILE CB C 28 37.450 38.121 -0.671 1
1 345 . 12 1 1 A 28 28 ILE N N 28 127.525 129.341 -1.816 1
1 346 . 12 1 1 A 29 29 ASP H H 29 8.438 8.329 0.109 1
1 347 . 12 1 1 A 29 29 ASP HA H 29 4.522 5.110 -0.588 1
1 350 . 12 1 1 A 29 29 ASP C C 29 175.289 175.821 -0.532 1
1 351 . 12 1 1 A 29 29 ASP CA C 29 53.316 52.855 0.461 1
1 352 . 12 1 1 A 29 29 ASP CB C 29 39.450 43.618 -4.168 1
1 353 . 12 1 1 A 29 29 ASP N N 29 118.886 119.159 -0.273 1
1 354 . 12 1 1 A 30 30 ASP H H 30 8.140 8.735 -0.595 1
1 355 . 12 1 1 A 30 30 ASP HA H 30 4.375 4.493 -0.118 1
1 358 . 12 1 1 A 30 30 ASP C C 30 174.332 177.003 -2.671 1
1 359 . 12 1 1 A 30 30 ASP CA C 30 56.171 56.100 0.071 1
1 360 . 12 1 1 A 30 30 ASP CB C 30 40.302 40.570 -0.268 1
1 361 . 12 1 1 A 30 30 ASP N N 30 112.219 121.452 -9.233 1
1 362 . 12 1 1 A 31 31 ASN H H 31 8.866 7.889 0.977 1
1 363 . 12 1 1 A 31 31 ASN HA H 31 4.805 4.502 0.303 1
1 366 . 12 1 1 A 31 31 ASN C C 31 175.926 175.031 0.895 1
1 367 . 12 1 1 A 31 31 ASN CA C 31 54.015 54.844 -0.829 1
1 368 . 12 1 1 A 31 31 ASN CB C 31 42.366 39.938 2.428 1
1 369 . 12 1 1 A 31 31 ASN N N 31 114.650 116.375 -1.725 1
1 370 . 12 1 1 A 32 32 PHE H H 32 8.481 7.670 0.811 1
1 371 . 12 1 1 A 32 32 PHE HA H 32 5.279 5.223 0.056 1
1 376 . 12 1 1 A 32 32 PHE C C 32 173.451 175.316 -1.865 1
1 377 . 12 1 1 A 32 32 PHE CA C 32 57.629 56.674 0.955 1
1 378 . 12 1 1 A 32 32 PHE CB C 32 42.418 42.488 -0.070 1
1 379 . 12 1 1 A 32 32 PHE N N 32 117.648 114.857 2.791 1
1 380 . 12 1 1 A 33 33 VAL H H 33 8.680 9.047 -0.367 1
1 381 . 12 1 1 A 33 33 VAL HA H 33 4.720 5.030 -0.310 1
1 389 . 12 1 1 A 33 33 VAL C C 33 174.458 173.923 0.535 1
1 390 . 12 1 1 A 33 33 VAL CA C 33 58.331 59.132 -0.801 1
1 391 . 12 1 1 A 33 33 VAL CB C 33 34.410 35.446 -1.036 1
1 394 . 12 1 1 A 33 33 VAL N N 33 110.814 117.585 -6.771 1
1 395 . 12 1 1 A 34 34 LEU H H 34 8.696 8.618 0.078 1
1 396 . 12 1 1 A 34 34 LEU HA H 34 4.871 4.896 -0.025 1
1 406 . 12 1 1 A 34 34 LEU C C 34 172.716 175.859 -3.143 1
1 407 . 12 1 1 A 34 34 LEU CA C 34 53.776 53.706 0.070 1
1 408 . 12 1 1 A 34 34 LEU CB C 34 44.582 43.459 1.123 1
1 412 . 12 1 1 A 34 34 LEU N N 34 123.160 124.885 -1.725 1
1 413 . 12 1 1 A 35 35 VAL H H 35 8.460 9.198 -0.738 1
1 414 . 12 1 1 A 35 35 VAL HA H 35 5.674 5.187 0.487 1
1 422 . 12 1 1 A 35 35 VAL C C 35 176.009 174.203 1.806 1
1 423 . 12 1 1 A 35 35 VAL CA C 35 57.423 59.775 -2.352 1
1 424 . 12 1 1 A 35 35 VAL CB C 35 35.541 34.183 1.358 1
1 427 . 12 1 1 A 35 35 VAL N N 35 119.184 122.111 -2.927 1
1 428 . 12 1 1 A 36 36 THR H H 36 8.362 9.161 -0.799 1
1 429 . 12 1 1 A 36 36 THR HA H 36 4.535 5.096 -0.561 1
1 434 . 12 1 1 A 36 36 THR C C 36 173.498 172.397 1.101 1
1 435 . 12 1 1 A 36 36 THR CA C 36 59.643 59.538 0.105 1
1 436 . 12 1 1 A 36 36 THR CB C 36 70.439 72.103 -1.664 1
1 438 . 12 1 1 A 36 36 THR N N 36 109.151 117.209 -8.058 1
1 439 . 12 1 1 A 37 37 GLY H H 37 7.571 8.800 -1.229 1
1 440 . 12 1 1 A 37 37 GLY C C 37 172.460 172.186 0.274 1
1 441 . 12 1 1 A 37 37 GLY CA C 37 51.421 43.891 7.530 1
1 442 . 12 1 1 A 37 37 GLY N N 37 115.474 113.903 1.571 1
1 443 . 12 1 1 A 38 38 PRO HA H 38 5.235 4.569 0.666 1
1 450 . 12 1 1 A 38 38 PRO CA C 38 60.459 63.143 -2.684 1
1 451 . 12 1 1 A 38 38 PRO CB C 38 35.517 31.741 3.776 1
1 454 . 12 1 1 A 39 39 LYS H H 39 9.463 8.566 0.897 1
1 455 . 12 1 1 A 39 39 LYS HA H 39 3.545 3.976 -0.431 1
1 464 . 12 1 1 A 39 39 LYS C C 39 179.019 178.612 0.407 1
1 465 . 12 1 1 A 39 39 LYS CA C 39 60.344 59.252 1.092 1
1 466 . 12 1 1 A 39 39 LYS CB C 39 31.826 32.109 -0.283 1
1 470 . 12 1 1 A 39 39 LYS N N 39 127.869 123.227 4.642 1
1 471 . 12 1 1 A 40 40 ASP H H 40 9.035 7.755 1.280 1
1 472 . 12 1 1 A 40 40 ASP HA H 40 4.375 4.430 -0.055 1
1 475 . 12 1 1 A 40 40 ASP C C 40 177.615 177.784 -0.169 1
1 476 . 12 1 1 A 40 40 ASP CA C 40 55.080 56.383 -1.303 1
1 477 . 12 1 1 A 40 40 ASP CB C 40 39.209 40.964 -1.755 1
1 478 . 12 1 1 A 40 40 ASP N N 40 115.744 118.926 -3.182 1
1 479 . 12 1 1 A 41 41 ILE H H 41 7.739 7.508 0.231 1
1 480 . 12 1 1 A 41 41 ILE HA H 41 4.218 4.010 0.208 1
1 490 . 12 1 1 A 41 41 ILE C C 41 174.826 178.006 -3.180 1
1 491 . 12 1 1 A 41 41 ILE CA C 41 61.664 63.297 -1.633 1
1 492 . 12 1 1 A 41 41 ILE CB C 41 37.453 38.456 -1.003 1
1 496 . 12 1 1 A 41 41 ILE N N 41 116.447 117.379 -0.932 1
1 497 . 12 1 1 A 42 42 THR H H 42 7.766 8.112 -0.346 1
1 498 . 12 1 1 A 42 42 THR HA H 42 4.734 4.416 0.318 1
1 503 . 12 1 1 A 42 42 THR C C 42 175.827 175.792 0.035 1
1 504 . 12 1 1 A 42 42 THR CA C 42 60.110 62.536 -2.426 1
1 505 . 12 1 1 A 42 42 THR CB C 42 71.791 70.593 1.198 1
1 507 . 12 1 1 A 42 42 THR N N 42 104.054 109.658 -5.604 1
1 508 . 12 1 1 A 43 43 GLY H H 43 7.844 8.217 -0.373 1
1 509 . 12 1 1 A 43 43 GLY HA2 H 43 4.461 3.936 0.525 1
1 510 . 12 1 1 A 43 43 GLY HA3 H 43 3.836 3.937 -0.101 1
1 511 . 12 1 1 A 43 43 GLY C C 43 175.208 174.554 0.654 1
1 512 . 12 1 1 A 43 43 GLY CA C 43 44.826 46.894 -2.068 1
1 513 . 12 1 1 A 43 43 GLY N N 43 109.006 112.238 -3.232 1
1 514 . 12 1 1 A 44 44 VAL H H 44 7.289 7.720 -0.431 1
1 515 . 12 1 1 A 44 44 VAL HA H 44 3.945 4.459 -0.514 1
1 523 . 12 1 1 A 44 44 VAL C C 44 173.149 174.866 -1.717 1
1 524 . 12 1 1 A 44 44 VAL CA C 44 62.902 59.790 3.112 1
1 525 . 12 1 1 A 44 44 VAL CB C 44 31.715 34.153 -2.438 1
1 528 . 12 1 1 A 44 44 VAL N N 44 120.903 119.616 1.287 1
1 529 . 12 1 1 A 45 45 LYS H H 45 8.308 8.473 -0.165 1
1 530 . 12 1 1 A 45 45 LYS HA H 45 4.190 4.547 -0.357 1
1 539 . 12 1 1 A 45 45 LYS C C 45 175.177 176.114 -0.937 1
1 540 . 12 1 1 A 45 45 LYS CA C 45 56.355 56.660 -0.305 1
1 541 . 12 1 1 A 45 45 LYS CB C 45 33.385 32.809 0.576 1
1 545 . 12 1 1 A 45 45 LYS N N 45 128.406 128.361 0.045 1
1 546 . 12 1 1 A 46 46 ARG H H 46 8.080 8.687 -0.607 1
1 547 . 12 1 1 A 46 46 ARG HA H 46 5.720 4.650 1.070 1
1 554 . 12 1 1 A 46 46 ARG C C 46 173.780 175.252 -1.472 1
1 555 . 12 1 1 A 46 46 ARG CA C 46 54.888 56.241 -1.353 1
1 556 . 12 1 1 A 46 46 ARG CB C 46 29.630 30.854 -1.224 1
1 559 . 12 1 1 A 46 46 ARG N N 46 120.129 129.095 -8.966 1
1 560 . 12 1 1 A 47 47 ARG H H 47 8.452 8.816 -0.364 1
1 561 . 12 1 1 A 47 47 ARG HA H 47 4.732 4.909 -0.177 1
1 568 . 12 1 1 A 47 47 ARG C C 47 176.138 174.834 1.304 1
1 569 . 12 1 1 A 47 47 ARG CA C 47 54.319 53.935 0.384 1
1 570 . 12 1 1 A 47 47 ARG CB C 47 33.746 34.521 -0.775 1
1 573 . 12 1 1 A 47 47 ARG N N 47 126.780 125.566 1.214 1
1 574 . 12 1 1 A 48 48 ARG H H 48 8.546 8.454 0.092 1
1 575 . 12 1 1 A 48 48 ARG HA H 48 5.111 5.060 0.051 1
1 582 . 12 1 1 A 48 48 ARG C C 48 174.339 175.661 -1.322 1
1 583 . 12 1 1 A 48 48 ARG CA C 48 55.524 55.739 -0.215 1
1 584 . 12 1 1 A 48 48 ARG CB C 48 31.132 30.944 0.188 1
1 587 . 12 1 1 A 48 48 ARG N N 48 121.931 121.138 0.793 1
1 588 . 12 1 1 A 49 49 VAL H H 49 9.485 8.879 0.606 1
1 589 . 12 1 1 A 49 49 VAL HA H 49 4.651 4.429 0.222 1
1 597 . 12 1 1 A 49 49 VAL C C 49 176.112 175.430 0.682 1
1 598 . 12 1 1 A 49 49 VAL CA C 49 60.040 61.073 -1.033 1
1 599 . 12 1 1 A 49 49 VAL CB C 49 36.427 32.061 4.366 1
1 602 . 12 1 1 A 49 49 VAL N N 49 122.891 124.823 -1.932 1
1 603 . 12 1 1 A 50 50 ASN H H 50 8.569 8.244 0.325 1
1 604 . 12 1 1 A 50 50 ASN HA H 50 4.213 5.246 -1.033 1
1 607 . 12 1 1 A 50 50 ASN C C 50 173.258 175.742 -2.484 1
1 608 . 12 1 1 A 50 50 ASN CA C 50 52.732 55.292 -2.560 1
1 609 . 12 1 1 A 50 50 ASN CB C 50 38.173 37.115 1.058 1
1 610 . 12 1 1 A 50 50 ASN N N 50 125.736 116.137 9.599 1
1 611 . 12 1 1 A 51 51 ILE H H 51 8.601 8.367 0.234 1
1 612 . 12 1 1 A 51 51 ILE HA H 51 3.632 4.261 -0.629 1
1 622 . 12 1 1 A 51 51 ILE C C 51 176.785 176.956 -0.171 1
1 623 . 12 1 1 A 51 51 ILE CA C 51 65.046 62.872 2.174 1
1 624 . 12 1 1 A 51 51 ILE CB C 51 38.532 39.747 -1.215 1
1 628 . 12 1 1 A 51 51 ILE N N 51 126.454 119.833 6.621 1
1 629 . 12 1 1 A 52 52 LEU H H 52 8.448 8.056 0.392 1
1 630 . 12 1 1 A 52 52 LEU HA H 52 4.290 4.370 -0.080 1
1 640 . 12 1 1 A 52 52 LEU C C 52 176.765 177.355 -0.590 1
1 641 . 12 1 1 A 52 52 LEU CA C 52 55.880 53.879 2.001 1
1 642 . 12 1 1 A 52 52 LEU CB C 52 40.983 41.234 -0.251 1
1 646 . 12 1 1 A 52 52 LEU N N 52 118.365 121.564 -3.199 1
1 647 . 12 1 1 A 53 53 HIS H H 53 8.358 8.104 0.254 1
1 648 . 12 1 1 A 53 53 HIS HA H 53 4.621 4.574 0.047 1
1 651 . 12 1 1 A 53 53 HIS C C 53 178.018 174.887 3.131 1
1 652 . 12 1 1 A 53 53 HIS CA C 53 53.996 56.517 -2.521 1
1 653 . 12 1 1 A 53 53 HIS CB C 53 30.306 30.464 -0.158 1
1 654 . 12 1 1 A 53 53 HIS N N 53 116.672 120.535 -3.863 1
1 655 . 12 1 1 A 54 54 LEU H H 54 7.693 7.692 0.001 1
1 656 . 12 1 1 A 54 54 LEU HA H 54 5.222 5.157 0.065 1
1 666 . 12 1 1 A 54 54 LEU C C 54 173.609 174.450 -0.841 1
1 667 . 12 1 1 A 54 54 LEU CA C 54 52.932 53.667 -0.735 1
1 668 . 12 1 1 A 54 54 LEU CB C 54 45.943 44.870 1.073 1
1 672 . 12 1 1 A 54 54 LEU N N 54 119.311 116.924 2.387 1
1 673 . 12 1 1 A 55 55 GLU H H 55 9.073 8.472 0.601 1
1 674 . 12 1 1 A 55 55 GLU C C 55 175.102 174.240 0.862 1
1 675 . 12 1 1 A 55 55 GLU CA C 55 52.073 52.887 -0.814 1
1 676 . 12 1 1 A 55 55 GLU CB C 55 31.958 31.161 0.797 1
1 677 . 12 1 1 A 55 55 GLU N N 55 120.139 118.806 1.333 1
1 678 . 12 1 1 A 56 56 PRO HA H 56 4.903 4.769 0.134 1
1 685 . 12 1 1 A 56 56 PRO CA C 56 63.121 62.617 0.504 1
1 686 . 12 1 1 A 56 56 PRO CB C 56 32.274 32.736 -0.462 1
1 689 . 12 1 1 A 57 57 THR H H 57 8.502 7.799 0.703 1
1 690 . 12 1 1 A 57 57 THR HA H 57 4.932 4.576 0.356 1
1 695 . 12 1 1 A 57 57 THR C C 57 175.894 175.290 0.604 1
1 696 . 12 1 1 A 57 57 THR CA C 57 60.602 60.624 -0.022 1
1 697 . 12 1 1 A 57 57 THR CB C 57 71.821 71.356 0.465 1
1 699 . 12 1 1 A 57 57 THR N N 57 113.388 113.101 0.287 1
1 700 . 12 1 1 A 58 58 ASP H H 58 8.605 8.781 -0.176 1
1 701 . 12 1 1 A 58 58 ASP HA H 58 4.445 4.533 -0.088 1
1 704 . 12 1 1 A 58 58 ASP C C 58 173.673 176.562 -2.889 1
1 705 . 12 1 1 A 58 58 ASP CA C 58 53.743 56.304 -2.561 1
1 706 . 12 1 1 A 58 58 ASP CB C 58 39.622 41.263 -1.641 1
1 707 . 12 1 1 A 58 58 ASP N N 58 115.340 119.556 -4.216 1
1 708 . 12 1 1 A 59 59 LYS H H 59 8.544 7.694 0.850 1
1 709 . 12 1 1 A 59 59 LYS HA H 59 4.646 4.483 0.163 1
1 718 . 12 1 1 A 59 59 LYS C C 59 174.972 175.957 -0.985 1
1 719 . 12 1 1 A 59 59 LYS CA C 59 54.336 55.751 -1.415 1
1 720 . 12 1 1 A 59 59 LYS CB C 59 34.626 33.377 1.249 1
1 724 . 12 1 1 A 59 59 LYS N N 59 119.488 119.340 0.148 1
1 725 . 12 1 1 A 60 60 LYS H H 60 8.227 9.073 -0.846 1
1 726 . 12 1 1 A 60 60 LYS HA H 60 4.999 5.019 -0.020 1
1 735 . 12 1 1 A 60 60 LYS C C 60 174.256 175.146 -0.890 1
1 736 . 12 1 1 A 60 60 LYS CA C 60 54.465 54.372 0.093 1
1 737 . 12 1 1 A 60 60 LYS CB C 60 36.153 36.372 -0.219 1
1 741 . 12 1 1 A 60 60 LYS N N 60 121.112 119.488 1.624 1
1 742 . 12 1 1 A 61 61 ILE H H 61 8.527 8.784 -0.257 1
1 743 . 12 1 1 A 61 61 ILE HA H 61 4.724 4.957 -0.233 1
1 753 . 12 1 1 A 61 61 ILE C C 61 174.330 174.158 0.172 1
1 754 . 12 1 1 A 61 61 ILE CA C 61 58.831 60.003 -1.172 1
1 755 . 12 1 1 A 61 61 ILE CB C 61 41.357 39.714 1.643 1
1 759 . 12 1 1 A 61 61 ILE N N 61 116.027 117.840 -1.813 1
1 760 . 12 1 1 A 62 62 ASP H H 62 8.513 8.966 -0.453 1
1 761 . 12 1 1 A 62 62 ASP HA H 62 4.732 4.942 -0.210 1
1 764 . 12 1 1 A 62 62 ASP C C 62 174.224 176.170 -1.946 1
1 765 . 12 1 1 A 62 62 ASP CA C 62 53.163 53.588 -0.425 1
1 766 . 12 1 1 A 62 62 ASP CB C 62 39.686 41.432 -1.746 1
1 767 . 12 1 1 A 62 62 ASP N N 62 121.643 127.531 -5.888 1
1 768 . 12 1 1 A 63 63 ILE H H 63 7.389 8.836 -1.447 1
1 769 . 12 1 1 A 63 63 ILE HA H 63 4.641 5.123 -0.482 1
1 779 . 12 1 1 A 63 63 ILE C C 63 174.484 175.573 -1.089 1
1 780 . 12 1 1 A 63 63 ILE CA C 63 58.244 58.882 -0.638 1
1 781 . 12 1 1 A 63 63 ILE CB C 63 41.811 41.041 0.770 1
1 785 . 12 1 1 A 63 63 ILE N N 63 114.509 120.763 -6.254 1
1 786 . 12 1 1 A 64 64 GLN H H 64 8.529 8.019 0.510 1
1 787 . 12 1 1 A 64 64 GLN HA H 64 4.390 4.628 -0.238 1
1 792 . 12 1 1 A 64 64 GLN C C 64 174.409 175.396 -0.987 1
1 793 . 12 1 1 A 64 64 GLN CA C 64 53.860 54.526 -0.666 1
1 794 . 12 1 1 A 64 64 GLN CB C 64 30.086 30.497 -0.411 1
1 796 . 12 1 1 A 64 64 GLN N N 64 119.145 120.337 -1.192 1
1 797 . 12 1 1 A 65 65 LYS H H 65 8.323 8.563 -0.240 1
1 798 . 12 1 1 A 65 65 LYS HA H 65 4.132 4.055 0.077 1
1 807 . 12 1 1 A 65 65 LYS C C 65 174.920 177.533 -2.613 1
1 808 . 12 1 1 A 65 65 LYS CA C 65 57.603 57.939 -0.336 1
1 809 . 12 1 1 A 65 65 LYS CB C 65 32.341 32.529 -0.188 1
1 813 . 12 1 1 A 65 65 LYS N N 65 119.780 122.857 -3.077 1
1 814 . 12 1 1 A 66 66 GLY H H 66 9.313 8.924 0.389 1
1 815 . 12 1 1 A 66 66 GLY HA2 H 66 4.093 3.948 0.145 1
1 816 . 12 1 1 A 66 66 GLY HA3 H 66 3.297 3.949 -0.652 1
1 817 . 12 1 1 A 66 66 GLY C C 66 177.892 174.543 3.349 1
1 818 . 12 1 1 A 66 66 GLY CA C 66 44.953 46.505 -1.552 1
1 819 . 12 1 1 A 66 66 GLY N N 66 112.449 114.556 -2.107 1
1 820 . 12 1 1 A 67 67 ALA H H 67 7.545 7.860 -0.315 1
1 821 . 12 1 1 A 67 67 ALA HA H 67 4.081 4.734 -0.653 1
1 825 . 12 1 1 A 67 67 ALA C C 67 173.517 176.082 -2.565 1
1 826 . 12 1 1 A 67 67 ALA CA C 67 52.802 51.090 1.712 1
1 827 . 12 1 1 A 67 67 ALA CB C 67 20.424 21.467 -1.043 1
1 828 . 12 1 1 A 67 67 ALA N N 67 121.516 123.367 -1.851 1
1 829 . 12 1 1 A 68 68 SER H H 68 8.904 8.441 0.463 1
1 830 . 12 1 1 A 68 68 SER HA H 68 4.261 4.757 -0.496 1
1 833 . 12 1 1 A 68 68 SER C C 68 177.019 174.326 2.693 1
1 834 . 12 1 1 A 68 68 SER CA C 68 57.321 57.049 0.272 1
1 835 . 12 1 1 A 68 68 SER CB C 68 65.064 65.495 -0.431 1
1 836 . 12 1 1 A 68 68 SER N N 68 119.470 111.323 8.147 1
1 837 . 12 1 1 A 69 69 ASP H H 69 9.379 8.723 0.656 1
1 838 . 12 1 1 A 69 69 ASP HA H 69 4.184 4.259 -0.075 1
1 841 . 12 1 1 A 69 69 ASP C C 69 173.831 177.797 -3.966 1
1 842 . 12 1 1 A 69 69 ASP CA C 69 57.843 57.785 0.058 1
1 843 . 12 1 1 A 69 69 ASP CB C 69 39.367 41.098 -1.731 1
1 844 . 12 1 1 A 69 69 ASP N N 69 122.205 120.289 1.916 1
1 845 . 12 1 1 A 70 70 GLU H H 70 8.454 8.072 0.382 1
1 846 . 12 1 1 A 70 70 GLU HA H 70 3.966 3.994 -0.028 1
1 851 . 12 1 1 A 70 70 GLU C C 70 177.979 178.996 -1.017 1
1 852 . 12 1 1 A 70 70 GLU CA C 70 59.987 59.652 0.335 1
1 853 . 12 1 1 A 70 70 GLU CB C 70 28.804 29.150 -0.346 1
1 855 . 12 1 1 A 70 70 GLU N N 70 118.426 118.649 -0.223 1
1 856 . 12 1 1 A 71 71 GLU H H 71 7.835 8.123 -0.288 1
1 857 . 12 1 1 A 71 71 GLU HA H 71 4.050 4.114 -0.064 1
1 862 . 12 1 1 A 71 71 GLU C C 71 178.486 179.096 -0.610 1
1 863 . 12 1 1 A 71 71 GLU CA C 71 58.998 58.907 0.091 1
1 864 . 12 1 1 A 71 71 GLU CB C 71 29.068 29.985 -0.917 1
1 866 . 12 1 1 A 71 71 GLU N N 71 122.166 120.670 1.496 1
1 867 . 12 1 1 A 72 72 VAL H H 72 8.387 8.278 0.109 1
1 868 . 12 1 1 A 72 72 VAL HA H 72 3.295 3.512 -0.217 1
1 876 . 12 1 1 A 72 72 VAL C C 72 178.603 178.196 0.407 1
1 877 . 12 1 1 A 72 72 VAL CA C 72 66.989 66.994 -0.005 1
1 878 . 12 1 1 A 72 72 VAL CB C 72 31.242 31.325 -0.083 1
1 881 . 12 1 1 A 72 72 VAL N N 72 118.871 119.325 -0.454 1
1 882 . 12 1 1 A 73 73 LYS H H 73 8.619 8.359 0.260 1
1 883 . 12 1 1 A 73 73 LYS HA H 73 3.734 3.931 -0.197 1
1 892 . 12 1 1 A 73 73 LYS C C 73 177.118 178.602 -1.484 1
1 893 . 12 1 1 A 73 73 LYS CA C 73 60.695 58.896 1.799 1
1 894 . 12 1 1 A 73 73 LYS CB C 73 32.320 32.040 0.280 1
1 898 . 12 1 1 A 73 73 LYS N N 73 118.351 120.090 -1.739 1
1 899 . 12 1 1 A 74 74 LYS H H 74 7.886 7.744 0.142 1
1 900 . 12 1 1 A 74 74 LYS HA H 74 4.133 3.994 0.139 1
1 909 . 12 1 1 A 74 74 LYS C C 74 178.306 179.487 -1.181 1
1 910 . 12 1 1 A 74 74 LYS CA C 74 58.954 59.888 -0.934 1
1 911 . 12 1 1 A 74 74 LYS CB C 74 31.974 32.351 -0.377 1
1 915 . 12 1 1 A 74 74 LYS N N 74 118.808 118.303 0.505 1
1 916 . 12 1 1 A 75 75 LYS H H 75 8.118 7.619 0.499 1
1 917 . 12 1 1 A 75 75 LYS HA H 75 4.228 4.008 0.220 1
1 926 . 12 1 1 A 75 75 LYS C C 75 178.795 179.348 -0.553 1
1 927 . 12 1 1 A 75 75 LYS CA C 75 57.158 59.412 -2.254 1
1 928 . 12 1 1 A 75 75 LYS CB C 75 31.382 32.231 -0.849 1
1 932 . 12 1 1 A 75 75 LYS N N 75 118.374 119.397 -1.023 1
1 933 . 12 1 1 A 76 76 LEU H H 76 8.778 8.545 0.233 1
1 934 . 12 1 1 A 76 76 LEU HA H 76 3.931 4.094 -0.163 1
1 944 . 12 1 1 A 76 76 LEU C C 76 180.241 178.401 1.840 1
1 945 . 12 1 1 A 76 76 LEU CA C 76 58.203 57.806 0.397 1
1 946 . 12 1 1 A 76 76 LEU CB C 76 42.015 42.157 -0.142 1
1 950 . 12 1 1 A 76 76 LEU N N 76 121.253 120.940 0.313 1
1 951 . 12 1 1 A 77 77 GLU H H 77 7.951 8.475 -0.524 1
1 952 . 12 1 1 A 77 77 GLU HA H 77 4.227 3.992 0.235 1
1 957 . 12 1 1 A 77 77 GLU C C 77 178.403 178.648 -0.245 1
1 958 . 12 1 1 A 77 77 GLU CA C 77 58.892 59.296 -0.404 1
1 959 . 12 1 1 A 77 77 GLU CB C 77 28.925 29.448 -0.523 1
1 961 . 12 1 1 A 77 77 GLU N N 77 119.306 119.052 0.254 1
1 962 . 12 1 1 A 78 78 GLU H H 78 8.595 8.241 0.354 1
1 963 . 12 1 1 A 78 78 GLU HA H 78 4.099 4.144 -0.045 1
1 968 . 12 1 1 A 78 78 GLU C C 78 180.586 178.018 2.568 1
1 969 . 12 1 1 A 78 78 GLU CA C 78 58.850 59.551 -0.701 1
1 970 . 12 1 1 A 78 78 GLU CB C 78 29.878 29.336 0.542 1
1 972 . 12 1 1 A 78 78 GLU N N 78 120.814 120.050 0.764 1
1 973 . 12 1 1 A 79 79 SER H H 79 7.519 7.939 -0.420 1
1 974 . 12 1 1 A 79 79 SER HA H 79 4.592 4.517 0.075 1
1 977 . 12 1 1 A 79 79 SER C C 79 177.761 174.191 3.570 1
1 978 . 12 1 1 A 79 79 SER CA C 79 58.324 58.567 -0.243 1
1 979 . 12 1 1 A 79 79 SER CB C 79 63.796 63.830 -0.034 1
1 980 . 12 1 1 A 79 79 SER N N 79 110.823 113.540 -2.717 1
1 981 . 12 1 1 A 80 80 ASN H H 80 8.126 7.946 0.180 1
1 982 . 12 1 1 A 80 80 ASN HA H 80 4.700 4.464 0.236 1
1 985 . 12 1 1 A 80 80 ASN C C 80 172.562 175.865 -3.303 1
1 986 . 12 1 1 A 80 80 ASN CA C 80 53.603 54.146 -0.543 1
1 987 . 12 1 1 A 80 80 ASN CB C 80 36.754 37.526 -0.772 1
1 988 . 12 1 1 A 80 80 ASN N N 80 117.027 118.709 -1.682 1
1 989 . 12 1 1 A 81 81 LEU H H 81 8.526 7.928 0.598 1
1 990 . 12 1 1 A 81 81 LEU HA H 81 4.767 4.562 0.205 1
1 1000 . 12 1 1 A 81 81 LEU C C 81 175.743 177.909 -2.166 1
1 1001 . 12 1 1 A 81 81 LEU CA C 81 54.008 53.994 0.014 1
1 1002 . 12 1 1 A 81 81 LEU CB C 81 45.026 42.523 2.503 1
1 1006 . 12 1 1 A 81 81 LEU N N 81 114.910 120.002 -5.092 1
1 1007 . 12 1 1 A 82 82 THR H H 82 7.848 7.730 0.118 1
1 1008 . 12 1 1 A 82 82 THR HA H 82 4.117 4.002 0.115 1
1 1013 . 12 1 1 A 82 82 THR C C 82 176.676 176.657 0.019 1
1 1014 . 12 1 1 A 82 82 THR CA C 82 67.474 67.013 0.461 1
1 1015 . 12 1 1 A 82 82 THR CB C 82 68.235 68.556 -0.321 1
1 1017 . 12 1 1 A 82 82 THR N N 82 117.802 114.169 3.633 1
1 1018 . 12 1 1 A 83 83 GLU H H 83 8.335 8.193 0.142 1
1 1019 . 12 1 1 A 83 83 GLU HA H 83 3.915 4.039 -0.124 1
1 1024 . 12 1 1 A 83 83 GLU C C 83 175.177 178.727 -3.550 1
1 1025 . 12 1 1 A 83 83 GLU CA C 83 59.541 59.840 -0.299 1
1 1026 . 12 1 1 A 83 83 GLU CB C 83 27.819 29.253 -1.434 1
1 1028 . 12 1 1 A 83 83 GLU N N 83 118.314 120.277 -1.963 1
1 1029 . 12 1 1 A 84 84 TYR H H 84 8.043 8.153 -0.110 1
1 1030 . 12 1 1 A 84 84 TYR HA H 84 4.111 4.140 -0.029 1
1 1037 . 12 1 1 A 84 84 TYR C C 84 179.081 177.694 1.387 1
1 1038 . 12 1 1 A 84 84 TYR CA C 84 60.788 61.142 -0.354 1
1 1039 . 12 1 1 A 84 84 TYR CB C 84 37.753 38.700 -0.947 1
1 1040 . 12 1 1 A 84 84 TYR N N 84 121.386 121.936 -0.550 1
1 1041 . 12 1 1 A 85 85 MET H H 85 8.101 8.025 0.076 1
1 1042 . 12 1 1 A 85 85 MET HA H 85 4.259 4.156 0.103 1
1 1047 . 12 1 1 A 85 85 MET C C 85 178.628 177.749 0.879 1
1 1048 . 12 1 1 A 85 85 MET CA C 85 55.244 59.098 -3.854 1
1 1049 . 12 1 1 A 85 85 MET CB C 85 29.597 32.481 -2.884 1
1 1051 . 12 1 1 A 85 85 MET N N 85 116.695 118.056 -1.361 1
1 1052 . 12 1 1 A 86 86 LYS H H 86 7.301 7.562 -0.261 1
1 1053 . 12 1 1 A 86 86 LYS HA H 86 3.937 4.408 -0.471 1
1 1062 . 12 1 1 A 86 86 LYS C C 86 175.934 175.442 0.492 1
1 1063 . 12 1 1 A 86 86 LYS CA C 86 57.318 55.302 2.016 1
1 1064 . 12 1 1 A 86 86 LYS CB C 86 32.956 31.707 1.249 1
1 1068 . 12 1 1 A 86 86 LYS N N 86 114.957 118.097 -3.140 1
1 1069 . 12 1 1 A 87 87 GLU H H 87 7.031 7.476 -0.445 1
1 1070 . 12 1 1 A 87 87 GLU HA H 87 4.185 5.153 -0.968 1
1 1075 . 12 1 1 A 87 87 GLU C C 87 176.247 174.596 1.651 1
1 1076 . 12 1 1 A 87 87 GLU CA C 87 55.780 54.822 0.958 1
1 1077 . 12 1 1 A 87 87 GLU CB C 87 29.358 33.336 -3.978 1
1 1079 . 12 1 1 A 87 87 GLU N N 87 119.315 122.949 -3.634 1
1 1080 . 12 1 1 A 88 88 LYS H H 88 8.466 9.170 -0.704 1
1 1081 . 12 1 1 A 88 88 LYS HA H 88 4.568 4.957 -0.389 1
1 1090 . 12 1 1 A 88 88 LYS C C 88 175.539 175.411 0.128 1
1 1091 . 12 1 1 A 88 88 LYS CA C 88 55.271 54.673 0.598 1
1 1092 . 12 1 1 A 88 88 LYS CB C 88 33.457 35.943 -2.486 1
1 1096 . 12 1 1 A 88 88 LYS N N 88 127.402 124.563 2.839 1
1 1097 . 12 1 1 A 89 89 ILE H H 89 8.752 8.307 0.445 1
1 1098 . 12 1 1 A 89 89 ILE HA H 89 4.249 4.187 0.062 1
1 1108 . 12 1 1 A 89 89 ILE C C 89 176.471 175.835 0.636 1
1 1109 . 12 1 1 A 89 89 ILE CA C 89 59.014 60.971 -1.957 1
1 1110 . 12 1 1 A 89 89 ILE CB C 89 38.437 38.017 0.420 1
1 1114 . 12 1 1 A 89 89 ILE N N 89 122.906 122.339 0.567 1
1 1115 . 12 1 1 A 90 90 LYS H H 90 8.394 8.365 0.029 1
1 1116 . 12 1 1 A 90 90 LYS HA H 90 4.284 4.590 -0.306 1
1 1125 . 12 1 1 A 90 90 LYS C C 90 175.276 175.386 -0.110 1
1 1126 . 12 1 1 A 90 90 LYS CA C 90 55.821 55.556 0.265 1
1 1127 . 12 1 1 A 90 90 LYS CB C 90 31.860 32.320 -0.460 1
1 1131 . 12 1 1 A 90 90 LYS N N 90 125.894 126.610 -0.716 1
1 1132 . 12 1 1 A 91 91 ILE H H 91 8.141 8.404 -0.263 1
1 1133 . 12 1 1 A 91 91 ILE HA H 91 4.165 4.268 -0.103 1
1 1143 . 12 1 1 A 91 91 ILE C C 91 175.506 175.893 -0.387 1
1 1144 . 12 1 1 A 91 91 ILE CA C 91 59.516 61.307 -1.791 1
1 1145 . 12 1 1 A 91 91 ILE CB C 91 37.991 36.939 1.052 1
1 1149 . 12 1 1 A 91 91 ILE N N 91 124.934 125.582 -0.648 1
1 1150 . 12 1 1 A 92 92 ARG H H 92 8.488 8.289 0.199 1
1 1151 . 12 1 1 A 92 92 ARG HA H 92 4.318 4.306 0.012 1
1 1158 . 12 1 1 A 92 92 ARG C C 92 175.508 175.177 0.331 1
1 1159 . 12 1 1 A 92 92 ARG CA C 92 55.708 56.086 -0.378 1
1 1160 . 12 1 1 A 92 92 ARG CB C 92 30.394 30.391 0.003 1
1 1163 . 12 1 1 A 92 92 ARG N N 92 126.033 127.489 -1.456 1
1 1164 . 12 1 1 A 93 93 MET H H 93 8.362 8.725 -0.363 1
1 1165 . 12 1 1 A 93 93 MET C C 93 175.367 175.513 -0.146 1
1 1166 . 12 1 1 A 93 93 MET CA C 93 52.994 52.754 0.240 1
1 1167 . 12 1 1 A 93 93 MET CB C 93 32.271 33.723 -1.452 1
1 1168 . 12 1 1 A 93 93 MET N N 93 123.282 124.049 -0.767 1
1 1169 . 12 1 1 A 94 94 PRO HA H 94 4.505 4.788 -0.283 1
1 1176 . 12 1 1 A 94 94 PRO CA C 94 62.884 62.205 0.679 1
1 1177 . 12 1 1 A 94 94 PRO CB C 94 31.885 33.251 -1.366 1
1 1180 . 12 1 1 A 95 95 THR H H 95 8.180 8.447 -0.267 1
1 1181 . 12 1 1 A 95 95 THR HA H 95 4.320 4.247 0.073 1
1 1186 . 12 1 1 A 95 95 THR C C 95 176.463 174.760 1.703 1
1 1187 . 12 1 1 A 95 95 THR CA C 95 61.391 63.685 -2.294 1
1 1188 . 12 1 1 A 95 95 THR CB C 95 69.583 69.280 0.303 1
1 1190 . 12 1 1 A 95 95 THR N N 95 114.511 112.690 1.821 1
1 1 . 13 1 1 A 2 2 PRO HA H 2 4.279 5.308 -1.029 1
1 8 . 13 1 1 A 2 2 PRO CA C 2 61.757 62.568 -0.811 1
1 9 . 13 1 1 A 2 2 PRO CB C 2 32.181 31.568 0.613 1
1 12 . 13 1 1 A 3 3 ALA H H 3 8.418 8.265 0.153 1
1 13 . 13 1 1 A 3 3 ALA HA H 3 4.242 4.490 -0.248 1
1 17 . 13 1 1 A 3 3 ALA C C 3 171.733 176.140 -4.407 1
1 18 . 13 1 1 A 3 3 ALA CA C 3 53.120 51.049 2.071 1
1 19 . 13 1 1 A 3 3 ALA CB C 3 19.076 17.194 1.882 1
1 20 . 13 1 1 A 3 3 ALA N N 3 122.573 126.784 -4.211 1
1 21 . 13 1 1 A 4 4 ILE H H 4 8.389 7.867 0.522 1
1 22 . 13 1 1 A 4 4 ILE HA H 4 3.730 3.675 0.055 1
1 32 . 13 1 1 A 4 4 ILE C C 4 177.391 174.601 2.790 1
1 33 . 13 1 1 A 4 4 ILE CA C 4 60.039 61.844 -1.805 1
1 34 . 13 1 1 A 4 4 ILE CB C 4 34.720 36.713 -1.993 1
1 38 . 13 1 1 A 4 4 ILE N N 4 119.283 113.078 6.205 1
1 39 . 13 1 1 A 5 5 GLU H H 5 6.799 8.115 -1.316 1
1 40 . 13 1 1 A 5 5 GLU HA H 5 4.630 4.878 -0.248 1
1 45 . 13 1 1 A 5 5 GLU C C 5 173.009 176.168 -3.159 1
1 46 . 13 1 1 A 5 5 GLU CA C 5 53.474 54.670 -1.196 1
1 47 . 13 1 1 A 5 5 GLU CB C 5 32.091 32.296 -0.205 1
1 49 . 13 1 1 A 5 5 GLU N N 5 122.616 121.258 1.358 1
1 50 . 13 1 1 A 6 6 VAL H H 6 8.899 8.567 0.332 1
1 51 . 13 1 1 A 6 6 VAL HA H 6 3.318 4.097 -0.779 1
1 59 . 13 1 1 A 6 6 VAL C C 6 174.172 176.486 -2.314 1
1 60 . 13 1 1 A 6 6 VAL CA C 6 65.581 63.477 2.104 1
1 61 . 13 1 1 A 6 6 VAL CB C 6 30.939 31.285 -0.346 1
1 64 . 13 1 1 A 6 6 VAL N N 6 122.205 123.285 -1.080 1
1 65 . 13 1 1 A 7 7 GLY H H 7 9.478 8.844 0.634 1
1 66 . 13 1 1 A 7 7 GLY HA2 H 7 5.016 4.012 1.004 1
1 67 . 13 1 1 A 7 7 GLY HA3 H 7 3.187 4.015 -0.828 1
1 68 . 13 1 1 A 7 7 GLY C C 7 176.688 174.202 2.486 1
1 69 . 13 1 1 A 7 7 GLY CA C 7 44.580 45.118 -0.538 1
1 70 . 13 1 1 A 7 7 GLY N N 7 115.742 114.890 0.852 1
1 71 . 13 1 1 A 8 8 ARG H H 8 8.128 7.694 0.434 1
1 72 . 13 1 1 A 8 8 ARG HA H 8 4.226 4.515 -0.289 1
1 79 . 13 1 1 A 8 8 ARG C C 8 173.667 175.835 -2.168 1
1 80 . 13 1 1 A 8 8 ARG CA C 8 54.906 54.800 0.106 1
1 81 . 13 1 1 A 8 8 ARG CB C 8 29.331 31.629 -2.298 1
1 84 . 13 1 1 A 8 8 ARG N N 8 120.180 121.672 -1.492 1
1 85 . 13 1 1 A 9 9 ILE H H 9 8.571 8.459 0.112 1
1 86 . 13 1 1 A 9 9 ILE HA H 9 4.965 4.432 0.533 1
1 96 . 13 1 1 A 9 9 ILE C C 9 175.361 175.659 -0.298 1
1 97 . 13 1 1 A 9 9 ILE CA C 9 61.241 61.109 0.132 1
1 98 . 13 1 1 A 9 9 ILE CB C 9 36.712 38.324 -1.612 1
1 102 . 13 1 1 A 9 9 ILE N N 9 129.626 125.526 4.100 1
1 103 . 13 1 1 A 10 10 CYS H H 10 9.614 9.237 0.377 1
1 104 . 13 1 1 A 10 10 CYS HA H 10 5.471 5.346 0.125 1
1 107 . 13 1 1 A 10 10 CYS C C 10 177.158 172.392 4.766 1
1 108 . 13 1 1 A 10 10 CYS CA C 10 57.088 56.686 0.402 1
1 109 . 13 1 1 A 10 10 CYS CB C 10 32.935 31.446 1.489 1
1 110 . 13 1 1 A 10 10 CYS N N 10 126.595 124.223 2.372 1
1 111 . 13 1 1 A 11 11 VAL H H 11 8.926 8.876 0.050 1
1 112 . 13 1 1 A 11 11 VAL HA H 11 4.351 4.860 -0.509 1
1 120 . 13 1 1 A 11 11 VAL C C 11 172.010 174.668 -2.658 1
1 121 . 13 1 1 A 11 11 VAL CA C 11 60.857 59.549 1.308 1
1 122 . 13 1 1 A 11 11 VAL CB C 11 33.989 34.326 -0.337 1
1 125 . 13 1 1 A 11 11 VAL N N 11 119.765 122.230 -2.465 1
1 126 . 13 1 1 A 12 12 LYS H H 12 8.961 8.709 0.252 1
1 127 . 13 1 1 A 12 12 LYS HA H 12 4.510 4.381 0.129 1
1 136 . 13 1 1 A 12 12 LYS C C 12 175.625 176.695 -1.070 1
1 137 . 13 1 1 A 12 12 LYS CA C 12 56.422 55.299 1.123 1
1 138 . 13 1 1 A 12 12 LYS CB C 12 32.726 31.635 1.091 1
1 142 . 13 1 1 A 12 12 LYS N N 12 127.967 128.807 -0.840 1
1 143 . 13 1 1 A 13 13 VAL H H 13 8.522 7.861 0.661 1
1 144 . 13 1 1 A 13 13 VAL HA H 13 4.518 3.697 0.821 1
1 152 . 13 1 1 A 13 13 VAL C C 13 176.284 176.816 -0.532 1
1 153 . 13 1 1 A 13 13 VAL CA C 13 61.492 65.525 -4.033 1
1 154 . 13 1 1 A 13 13 VAL CB C 13 32.089 31.687 0.402 1
1 157 . 13 1 1 A 13 13 VAL N N 13 118.593 123.904 -5.311 1
1 158 . 13 1 1 A 14 14 LYS H H 14 7.310 8.216 -0.906 1
1 159 . 13 1 1 A 14 14 LYS HA H 14 4.580 4.521 0.059 1
1 168 . 13 1 1 A 14 14 LYS C C 14 174.043 177.266 -3.223 1
1 169 . 13 1 1 A 14 14 LYS CA C 14 54.090 56.166 -2.076 1
1 170 . 13 1 1 A 14 14 LYS CB C 14 36.489 31.612 4.877 1
1 174 . 13 1 1 A 14 14 LYS N N 14 117.809 120.605 -2.796 1
1 175 . 13 1 1 A 15 15 GLY H H 15 8.548 8.277 0.271 1
1 176 . 13 1 1 A 15 15 GLY HA2 H 15 4.264 3.811 0.453 1
1 177 . 13 1 1 A 15 15 GLY HA3 H 15 3.845 3.813 0.032 1
1 178 . 13 1 1 A 15 15 GLY C C 15 175.166 174.334 0.832 1
1 179 . 13 1 1 A 15 15 GLY CA C 15 43.993 46.633 -2.640 1
1 180 . 13 1 1 A 15 15 GLY N N 15 108.732 109.134 -0.402 1
1 181 . 13 1 1 A 16 16 ARG H H 16 8.618 7.584 1.034 1
1 182 . 13 1 1 A 16 16 ARG HA H 16 4.082 4.610 -0.528 1
1 189 . 13 1 1 A 16 16 ARG C C 16 174.254 176.925 -2.671 1
1 190 . 13 1 1 A 16 16 ARG CA C 16 57.950 57.301 0.649 1
1 191 . 13 1 1 A 16 16 ARG CB C 16 29.776 32.082 -2.306 1
1 194 . 13 1 1 A 16 16 ARG N N 16 120.561 116.768 3.793 1
1 195 . 13 1 1 A 17 17 GLU H H 17 8.935 8.289 0.646 1
1 196 . 13 1 1 A 17 17 GLU HA H 17 4.190 4.400 -0.210 1
1 201 . 13 1 1 A 17 17 GLU C C 17 177.426 175.582 1.844 1
1 202 . 13 1 1 A 17 17 GLU CA C 17 55.386 56.010 -0.624 1
1 203 . 13 1 1 A 17 17 GLU CB C 17 27.412 30.670 -3.258 1
1 205 . 13 1 1 A 17 17 GLU N N 17 115.930 117.869 -1.939 1
1 206 . 13 1 1 A 18 18 ALA H H 18 7.267 8.062 -0.795 1
1 207 . 13 1 1 A 18 18 ALA HA H 18 3.737 4.076 -0.339 1
1 211 . 13 1 1 A 18 18 ALA C C 18 174.969 177.767 -2.798 1
1 212 . 13 1 1 A 18 18 ALA CA C 18 53.272 53.301 -0.029 1
1 213 . 13 1 1 A 18 18 ALA CB C 18 17.382 17.223 0.159 1
1 214 . 13 1 1 A 18 18 ALA N N 18 120.485 120.861 -0.376 1
1 215 . 13 1 1 A 19 19 GLY H H 19 9.424 8.382 1.042 1
1 216 . 13 1 1 A 19 19 GLY HA2 H 19 4.680 3.932 0.748 1
1 217 . 13 1 1 A 19 19 GLY HA3 H 19 3.451 3.939 -0.488 1
1 218 . 13 1 1 A 19 19 GLY C C 19 178.386 173.960 4.426 1
1 219 . 13 1 1 A 19 19 GLY CA C 19 44.905 45.358 -0.453 1
1 220 . 13 1 1 A 19 19 GLY N N 19 112.194 103.951 8.243 1
1 221 . 13 1 1 A 20 20 SER H H 20 8.162 7.875 0.287 1
1 222 . 13 1 1 A 20 20 SER HA H 20 4.861 4.373 0.488 1
1 225 . 13 1 1 A 20 20 SER C C 20 173.441 173.926 -0.485 1
1 226 . 13 1 1 A 20 20 SER CA C 20 58.253 59.350 -1.097 1
1 227 . 13 1 1 A 20 20 SER CB C 20 64.447 63.717 0.730 1
1 228 . 13 1 1 A 20 20 SER N N 20 115.207 116.495 -1.288 1
1 229 . 13 1 1 A 21 21 LYS H H 21 8.836 8.544 0.292 1
1 230 . 13 1 1 A 21 21 LYS HA H 21 5.369 4.953 0.416 1
1 239 . 13 1 1 A 21 21 LYS C C 21 172.859 175.167 -2.308 1
1 240 . 13 1 1 A 21 21 LYS CA C 21 55.508 54.589 0.919 1
1 241 . 13 1 1 A 21 21 LYS CB C 21 34.795 35.943 -1.148 1
1 245 . 13 1 1 A 21 21 LYS N N 21 121.269 124.507 -3.238 1
1 246 . 13 1 1 A 22 22 CYS H H 22 8.905 9.398 -0.493 1
1 247 . 13 1 1 A 22 22 CYS HA H 22 5.527 5.158 0.369 1
1 250 . 13 1 1 A 22 22 CYS C C 22 174.204 173.112 1.092 1
1 251 . 13 1 1 A 22 22 CYS CA C 22 55.584 57.674 -2.090 1
1 252 . 13 1 1 A 22 22 CYS CB C 22 30.941 32.662 -1.721 1
1 253 . 13 1 1 A 22 22 CYS N N 22 110.073 119.830 -9.757 1
1 254 . 13 1 1 A 23 23 VAL H H 23 9.325 9.241 0.084 1
1 255 . 13 1 1 A 23 23 VAL HA H 23 4.761 4.560 0.201 1
1 263 . 13 1 1 A 23 23 VAL C C 23 171.121 175.866 -4.745 1
1 264 . 13 1 1 A 23 23 VAL CA C 23 60.552 61.073 -0.521 1
1 265 . 13 1 1 A 23 23 VAL CB C 23 35.141 34.161 0.980 1
1 268 . 13 1 1 A 23 23 VAL N N 23 119.042 122.046 -3.004 1
1 269 . 13 1 1 A 24 24 ILE H H 24 8.239 8.718 -0.479 1
1 270 . 13 1 1 A 24 24 ILE HA H 24 4.239 4.098 0.141 1
1 280 . 13 1 1 A 24 24 ILE C C 24 175.805 176.920 -1.115 1
1 281 . 13 1 1 A 24 24 ILE CA C 24 62.552 61.885 0.667 1
1 282 . 13 1 1 A 24 24 ILE CB C 24 36.819 36.842 -0.023 1
1 286 . 13 1 1 A 24 24 ILE N N 24 124.259 127.121 -2.862 1
1 287 . 13 1 1 A 25 25 VAL H H 25 9.205 8.827 0.378 1
1 288 . 13 1 1 A 25 25 VAL HA H 25 4.689 4.423 0.266 1
1 296 . 13 1 1 A 25 25 VAL C C 25 175.650 175.609 0.041 1
1 297 . 13 1 1 A 25 25 VAL CA C 25 60.947 62.008 -1.061 1
1 298 . 13 1 1 A 25 25 VAL CB C 25 32.986 33.538 -0.552 1
1 301 . 13 1 1 A 25 25 VAL N N 25 121.805 121.944 -0.139 1
1 302 . 13 1 1 A 26 26 ASP H H 26 8.103 7.526 0.577 1
1 303 . 13 1 1 A 26 26 ASP HA H 26 4.771 4.992 -0.221 1
1 306 . 13 1 1 A 26 26 ASP C C 26 174.343 173.730 0.613 1
1 307 . 13 1 1 A 26 26 ASP CA C 26 53.671 53.852 -0.181 1
1 308 . 13 1 1 A 26 26 ASP CB C 26 43.563 44.433 -0.870 1
1 309 . 13 1 1 A 26 26 ASP N N 26 118.459 119.901 -1.442 1
1 310 . 13 1 1 A 27 27 ILE H H 27 9.092 8.948 0.144 1
1 311 . 13 1 1 A 27 27 ILE HA H 27 4.273 4.538 -0.265 1
1 321 . 13 1 1 A 27 27 ILE C C 27 173.976 175.643 -1.667 1
1 322 . 13 1 1 A 27 27 ILE CA C 27 60.306 60.521 -0.215 1
1 323 . 13 1 1 A 27 27 ILE CB C 27 38.339 38.749 -0.410 1
1 327 . 13 1 1 A 27 27 ILE N N 27 124.375 123.604 0.771 1
1 328 . 13 1 1 A 28 28 ILE H H 28 8.055 8.881 -0.826 1
1 329 . 13 1 1 A 28 28 ILE HA H 28 3.986 4.100 -0.114 1
1 339 . 13 1 1 A 28 28 ILE C C 28 174.733 175.457 -0.724 1
1 340 . 13 1 1 A 28 28 ILE CA C 28 62.414 63.187 -0.773 1
1 341 . 13 1 1 A 28 28 ILE CB C 28 37.450 38.672 -1.222 1
1 345 . 13 1 1 A 28 28 ILE N N 28 127.525 129.022 -1.497 1
1 346 . 13 1 1 A 29 29 ASP H H 29 8.438 8.333 0.105 1
1 347 . 13 1 1 A 29 29 ASP HA H 29 4.522 4.945 -0.423 1
1 350 . 13 1 1 A 29 29 ASP C C 29 175.289 175.448 -0.159 1
1 351 . 13 1 1 A 29 29 ASP CA C 29 53.316 52.850 0.466 1
1 352 . 13 1 1 A 29 29 ASP CB C 29 39.450 44.033 -4.583 1
1 353 . 13 1 1 A 29 29 ASP N N 29 118.886 117.286 1.600 1
1 354 . 13 1 1 A 30 30 ASP H H 30 8.140 8.707 -0.567 1
1 355 . 13 1 1 A 30 30 ASP HA H 30 4.375 4.332 0.043 1
1 358 . 13 1 1 A 30 30 ASP C C 30 174.332 177.702 -3.370 1
1 359 . 13 1 1 A 30 30 ASP CA C 30 56.171 57.107 -0.936 1
1 360 . 13 1 1 A 30 30 ASP CB C 30 40.302 41.209 -0.907 1
1 361 . 13 1 1 A 30 30 ASP N N 30 112.219 123.673 -11.454 1
1 362 . 13 1 1 A 31 31 ASN H H 31 8.866 7.555 1.311 1
1 363 . 13 1 1 A 31 31 ASN HA H 31 4.805 4.660 0.145 1
1 366 . 13 1 1 A 31 31 ASN C C 31 175.926 174.969 0.957 1
1 367 . 13 1 1 A 31 31 ASN CA C 31 54.015 55.043 -1.028 1
1 368 . 13 1 1 A 31 31 ASN CB C 31 42.366 39.666 2.700 1
1 369 . 13 1 1 A 31 31 ASN N N 31 114.650 116.002 -1.352 1
1 370 . 13 1 1 A 32 32 PHE H H 32 8.481 8.150 0.331 1
1 371 . 13 1 1 A 32 32 PHE HA H 32 5.279 5.321 -0.042 1
1 376 . 13 1 1 A 32 32 PHE C C 32 173.451 175.401 -1.950 1
1 377 . 13 1 1 A 32 32 PHE CA C 32 57.629 57.174 0.455 1
1 378 . 13 1 1 A 32 32 PHE CB C 32 42.418 41.242 1.176 1
1 379 . 13 1 1 A 32 32 PHE N N 32 117.648 116.290 1.358 1
1 380 . 13 1 1 A 33 33 VAL H H 33 8.680 9.039 -0.359 1
1 381 . 13 1 1 A 33 33 VAL HA H 33 4.720 5.101 -0.381 1
1 389 . 13 1 1 A 33 33 VAL C C 33 174.458 173.527 0.931 1
1 390 . 13 1 1 A 33 33 VAL CA C 33 58.331 59.279 -0.948 1
1 391 . 13 1 1 A 33 33 VAL CB C 33 34.410 36.133 -1.723 1
1 394 . 13 1 1 A 33 33 VAL N N 33 110.814 116.157 -5.343 1
1 395 . 13 1 1 A 34 34 LEU H H 34 8.696 9.122 -0.426 1
1 396 . 13 1 1 A 34 34 LEU HA H 34 4.871 5.231 -0.360 1
1 406 . 13 1 1 A 34 34 LEU C C 34 172.716 175.355 -2.639 1
1 407 . 13 1 1 A 34 34 LEU CA C 34 53.776 53.429 0.347 1
1 408 . 13 1 1 A 34 34 LEU CB C 34 44.582 44.485 0.097 1
1 412 . 13 1 1 A 34 34 LEU N N 34 123.160 124.794 -1.634 1
1 413 . 13 1 1 A 35 35 VAL H H 35 8.460 9.074 -0.614 1
1 414 . 13 1 1 A 35 35 VAL HA H 35 5.674 5.231 0.443 1
1 422 . 13 1 1 A 35 35 VAL C C 35 176.009 174.175 1.834 1
1 423 . 13 1 1 A 35 35 VAL CA C 35 57.423 59.606 -2.183 1
1 424 . 13 1 1 A 35 35 VAL CB C 35 35.541 35.014 0.527 1
1 427 . 13 1 1 A 35 35 VAL N N 35 119.184 121.164 -1.980 1
1 428 . 13 1 1 A 36 36 THR H H 36 8.362 8.704 -0.342 1
1 429 . 13 1 1 A 36 36 THR HA H 36 4.535 4.880 -0.345 1
1 434 . 13 1 1 A 36 36 THR C C 36 173.498 172.817 0.681 1
1 435 . 13 1 1 A 36 36 THR CA C 36 59.643 59.928 -0.285 1
1 436 . 13 1 1 A 36 36 THR CB C 36 70.439 71.738 -1.299 1
1 438 . 13 1 1 A 36 36 THR N N 36 109.151 117.367 -8.216 1
1 439 . 13 1 1 A 37 37 GLY H H 37 7.571 9.063 -1.492 1
1 440 . 13 1 1 A 37 37 GLY C C 37 172.460 173.068 -0.608 1
1 441 . 13 1 1 A 37 37 GLY CA C 37 51.421 45.069 6.352 1
1 442 . 13 1 1 A 37 37 GLY N N 37 115.474 114.134 1.340 1
1 443 . 13 1 1 A 38 38 PRO HA H 38 5.235 4.641 0.594 1
1 450 . 13 1 1 A 38 38 PRO CA C 38 60.459 63.299 -2.840 1
1 451 . 13 1 1 A 38 38 PRO CB C 38 35.517 32.205 3.312 1
1 454 . 13 1 1 A 39 39 LYS H H 39 9.463 8.822 0.641 1
1 455 . 13 1 1 A 39 39 LYS HA H 39 3.545 3.954 -0.409 1
1 464 . 13 1 1 A 39 39 LYS C C 39 179.019 177.652 1.367 1
1 465 . 13 1 1 A 39 39 LYS CA C 39 60.344 59.708 0.636 1
1 466 . 13 1 1 A 39 39 LYS CB C 39 31.826 32.205 -0.379 1
1 470 . 13 1 1 A 39 39 LYS N N 39 127.869 125.216 2.653 1
1 471 . 13 1 1 A 40 40 ASP H H 40 9.035 7.447 1.588 1
1 472 . 13 1 1 A 40 40 ASP HA H 40 4.375 4.443 -0.068 1
1 475 . 13 1 1 A 40 40 ASP C C 40 177.615 177.440 0.175 1
1 476 . 13 1 1 A 40 40 ASP CA C 40 55.080 56.238 -1.158 1
1 477 . 13 1 1 A 40 40 ASP CB C 40 39.209 40.864 -1.655 1
1 478 . 13 1 1 A 40 40 ASP N N 40 115.744 119.128 -3.384 1
1 479 . 13 1 1 A 41 41 ILE H H 41 7.739 7.305 0.434 1
1 480 . 13 1 1 A 41 41 ILE HA H 41 4.218 4.115 0.103 1
1 490 . 13 1 1 A 41 41 ILE C C 41 174.826 177.113 -2.287 1
1 491 . 13 1 1 A 41 41 ILE CA C 41 61.664 63.028 -1.364 1
1 492 . 13 1 1 A 41 41 ILE CB C 41 37.453 38.427 -0.974 1
1 496 . 13 1 1 A 41 41 ILE N N 41 116.447 117.011 -0.564 1
1 497 . 13 1 1 A 42 42 THR H H 42 7.766 8.069 -0.303 1
1 498 . 13 1 1 A 42 42 THR HA H 42 4.734 4.302 0.432 1
1 503 . 13 1 1 A 42 42 THR C C 42 175.827 175.319 0.508 1
1 504 . 13 1 1 A 42 42 THR CA C 42 60.110 64.044 -3.934 1
1 505 . 13 1 1 A 42 42 THR CB C 42 71.791 69.261 2.530 1
1 507 . 13 1 1 A 42 42 THR N N 42 104.054 112.475 -8.421 1
1 508 . 13 1 1 A 43 43 GLY H H 43 7.844 8.223 -0.379 1
1 509 . 13 1 1 A 43 43 GLY HA2 H 43 4.461 3.911 0.550 1
1 510 . 13 1 1 A 43 43 GLY HA3 H 43 3.836 3.913 -0.077 1
1 511 . 13 1 1 A 43 43 GLY C C 43 175.208 174.569 0.639 1
1 512 . 13 1 1 A 43 43 GLY CA C 43 44.826 46.253 -1.427 1
1 513 . 13 1 1 A 43 43 GLY N N 43 109.006 109.216 -0.210 1
1 514 . 13 1 1 A 44 44 VAL H H 44 7.289 7.827 -0.538 1
1 515 . 13 1 1 A 44 44 VAL HA H 44 3.945 4.017 -0.072 1
1 523 . 13 1 1 A 44 44 VAL C C 44 173.149 175.121 -1.972 1
1 524 . 13 1 1 A 44 44 VAL CA C 44 62.902 62.492 0.410 1
1 525 . 13 1 1 A 44 44 VAL CB C 44 31.715 31.679 0.036 1
1 528 . 13 1 1 A 44 44 VAL N N 44 120.903 121.394 -0.491 1
1 529 . 13 1 1 A 45 45 LYS H H 45 8.308 8.606 -0.298 1
1 530 . 13 1 1 A 45 45 LYS HA H 45 4.190 4.588 -0.398 1
1 539 . 13 1 1 A 45 45 LYS C C 45 175.177 176.022 -0.845 1
1 540 . 13 1 1 A 45 45 LYS CA C 45 56.355 56.544 -0.189 1
1 541 . 13 1 1 A 45 45 LYS CB C 45 33.385 32.939 0.446 1
1 545 . 13 1 1 A 45 45 LYS N N 45 128.406 127.793 0.613 1
1 546 . 13 1 1 A 46 46 ARG H H 46 8.080 8.330 -0.250 1
1 547 . 13 1 1 A 46 46 ARG HA H 46 5.720 4.225 1.495 1
1 554 . 13 1 1 A 46 46 ARG C C 46 173.780 176.104 -2.324 1
1 555 . 13 1 1 A 46 46 ARG CA C 46 54.888 56.218 -1.330 1
1 556 . 13 1 1 A 46 46 ARG CB C 46 29.630 30.555 -0.925 1
1 559 . 13 1 1 A 46 46 ARG N N 46 120.129 124.868 -4.739 1
1 560 . 13 1 1 A 47 47 ARG H H 47 8.452 8.794 -0.342 1
1 561 . 13 1 1 A 47 47 ARG HA H 47 4.732 4.972 -0.240 1
1 568 . 13 1 1 A 47 47 ARG C C 47 176.138 175.498 0.640 1
1 569 . 13 1 1 A 47 47 ARG CA C 47 54.319 54.005 0.314 1
1 570 . 13 1 1 A 47 47 ARG CB C 47 33.746 34.421 -0.675 1
1 573 . 13 1 1 A 47 47 ARG N N 47 126.780 120.121 6.659 1
1 574 . 13 1 1 A 48 48 ARG H H 48 8.546 8.387 0.159 1
1 575 . 13 1 1 A 48 48 ARG HA H 48 5.111 4.758 0.353 1
1 582 . 13 1 1 A 48 48 ARG C C 48 174.339 176.078 -1.739 1
1 583 . 13 1 1 A 48 48 ARG CA C 48 55.524 55.955 -0.431 1
1 584 . 13 1 1 A 48 48 ARG CB C 48 31.132 30.927 0.205 1
1 587 . 13 1 1 A 48 48 ARG N N 48 121.931 121.739 0.192 1
1 588 . 13 1 1 A 49 49 VAL H H 49 9.485 8.396 1.089 1
1 589 . 13 1 1 A 49 49 VAL HA H 49 4.651 5.119 -0.468 1
1 597 . 13 1 1 A 49 49 VAL C C 49 176.112 174.194 1.918 1
1 598 . 13 1 1 A 49 49 VAL CA C 49 60.040 58.883 1.157 1
1 599 . 13 1 1 A 49 49 VAL CB C 49 36.427 35.859 0.568 1
1 602 . 13 1 1 A 49 49 VAL N N 49 122.891 117.667 5.224 1
1 603 . 13 1 1 A 50 50 ASN H H 50 8.569 8.090 0.479 1
1 604 . 13 1 1 A 50 50 ASN HA H 50 4.213 4.960 -0.747 1
1 607 . 13 1 1 A 50 50 ASN C C 50 173.258 176.406 -3.148 1
1 608 . 13 1 1 A 50 50 ASN CA C 50 52.732 50.482 2.250 1
1 609 . 13 1 1 A 50 50 ASN CB C 50 38.173 40.365 -2.192 1
1 610 . 13 1 1 A 50 50 ASN N N 50 125.736 118.553 7.183 1
1 611 . 13 1 1 A 51 51 ILE H H 51 8.601 8.885 -0.284 1
1 612 . 13 1 1 A 51 51 ILE HA H 51 3.632 3.750 -0.118 1
1 622 . 13 1 1 A 51 51 ILE C C 51 176.785 177.536 -0.751 1
1 623 . 13 1 1 A 51 51 ILE CA C 51 65.046 64.373 0.673 1
1 624 . 13 1 1 A 51 51 ILE CB C 51 38.532 37.416 1.116 1
1 628 . 13 1 1 A 51 51 ILE N N 51 126.454 120.143 6.311 1
1 629 . 13 1 1 A 52 52 LEU H H 52 8.448 7.510 0.938 1
1 630 . 13 1 1 A 52 52 LEU HA H 52 4.290 4.247 0.043 1
1 640 . 13 1 1 A 52 52 LEU C C 52 176.765 177.027 -0.262 1
1 641 . 13 1 1 A 52 52 LEU CA C 52 55.880 54.360 1.520 1
1 642 . 13 1 1 A 52 52 LEU CB C 52 40.983 41.070 -0.087 1
1 646 . 13 1 1 A 52 52 LEU N N 52 118.365 120.347 -1.982 1
1 647 . 13 1 1 A 53 53 HIS H H 53 8.358 7.784 0.574 1
1 648 . 13 1 1 A 53 53 HIS HA H 53 4.621 4.767 -0.146 1
1 651 . 13 1 1 A 53 53 HIS C C 53 178.018 174.479 3.539 1
1 652 . 13 1 1 A 53 53 HIS CA C 53 53.996 56.020 -2.024 1
1 653 . 13 1 1 A 53 53 HIS CB C 53 30.306 31.459 -1.153 1
1 654 . 13 1 1 A 53 53 HIS N N 53 116.672 116.832 -0.160 1
1 655 . 13 1 1 A 54 54 LEU H H 54 7.693 7.508 0.185 1
1 656 . 13 1 1 A 54 54 LEU HA H 54 5.222 4.812 0.410 1
1 666 . 13 1 1 A 54 54 LEU C C 54 173.609 174.731 -1.122 1
1 667 . 13 1 1 A 54 54 LEU CA C 54 52.932 53.604 -0.672 1
1 668 . 13 1 1 A 54 54 LEU CB C 54 45.943 45.407 0.536 1
1 672 . 13 1 1 A 54 54 LEU N N 54 119.311 116.507 2.804 1
1 673 . 13 1 1 A 55 55 GLU H H 55 9.073 8.412 0.661 1
1 674 . 13 1 1 A 55 55 GLU C C 55 175.102 173.907 1.195 1
1 675 . 13 1 1 A 55 55 GLU CA C 55 52.073 52.894 -0.821 1
1 676 . 13 1 1 A 55 55 GLU CB C 55 31.958 32.435 -0.477 1
1 677 . 13 1 1 A 55 55 GLU N N 55 120.139 118.021 2.118 1
1 678 . 13 1 1 A 56 56 PRO HA H 56 4.903 4.860 0.043 1
1 685 . 13 1 1 A 56 56 PRO CA C 56 63.121 62.579 0.542 1
1 686 . 13 1 1 A 56 56 PRO CB C 56 32.274 32.503 -0.229 1
1 689 . 13 1 1 A 57 57 THR H H 57 8.502 9.183 -0.681 1
1 690 . 13 1 1 A 57 57 THR HA H 57 4.932 4.814 0.118 1
1 695 . 13 1 1 A 57 57 THR C C 57 175.894 174.268 1.626 1
1 696 . 13 1 1 A 57 57 THR CA C 57 60.602 59.782 0.820 1
1 697 . 13 1 1 A 57 57 THR CB C 57 71.821 71.874 -0.053 1
1 699 . 13 1 1 A 57 57 THR N N 57 113.388 111.977 1.411 1
1 700 . 13 1 1 A 58 58 ASP H H 58 8.605 8.761 -0.156 1
1 701 . 13 1 1 A 58 58 ASP HA H 58 4.445 4.422 0.023 1
1 704 . 13 1 1 A 58 58 ASP C C 58 173.673 175.003 -1.330 1
1 705 . 13 1 1 A 58 58 ASP CA C 58 53.743 55.133 -1.390 1
1 706 . 13 1 1 A 58 58 ASP CB C 58 39.622 39.998 -0.376 1
1 707 . 13 1 1 A 58 58 ASP N N 58 115.340 120.806 -5.466 1
1 708 . 13 1 1 A 59 59 LYS H H 59 8.544 8.255 0.289 1
1 709 . 13 1 1 A 59 59 LYS HA H 59 4.646 4.603 0.043 1
1 718 . 13 1 1 A 59 59 LYS C C 59 174.972 176.209 -1.237 1
1 719 . 13 1 1 A 59 59 LYS CA C 59 54.336 54.747 -0.411 1
1 720 . 13 1 1 A 59 59 LYS CB C 59 34.626 34.155 0.471 1
1 724 . 13 1 1 A 59 59 LYS N N 59 119.488 121.598 -2.110 1
1 725 . 13 1 1 A 60 60 LYS H H 60 8.227 8.534 -0.307 1
1 726 . 13 1 1 A 60 60 LYS HA H 60 4.999 4.877 0.122 1
1 735 . 13 1 1 A 60 60 LYS C C 60 174.256 176.316 -2.060 1
1 736 . 13 1 1 A 60 60 LYS CA C 60 54.465 55.119 -0.654 1
1 737 . 13 1 1 A 60 60 LYS CB C 60 36.153 34.406 1.747 1
1 741 . 13 1 1 A 60 60 LYS N N 60 121.112 118.094 3.018 1
1 742 . 13 1 1 A 61 61 ILE H H 61 8.527 8.749 -0.222 1
1 743 . 13 1 1 A 61 61 ILE HA H 61 4.724 4.715 0.009 1
1 753 . 13 1 1 A 61 61 ILE C C 61 174.330 175.010 -0.680 1
1 754 . 13 1 1 A 61 61 ILE CA C 61 58.831 59.483 -0.652 1
1 755 . 13 1 1 A 61 61 ILE CB C 61 41.357 39.682 1.675 1
1 759 . 13 1 1 A 61 61 ILE N N 61 116.027 118.855 -2.828 1
1 760 . 13 1 1 A 62 62 ASP H H 62 8.513 8.589 -0.076 1
1 761 . 13 1 1 A 62 62 ASP HA H 62 4.732 4.948 -0.216 1
1 764 . 13 1 1 A 62 62 ASP C C 62 174.224 175.545 -1.321 1
1 765 . 13 1 1 A 62 62 ASP CA C 62 53.163 53.733 -0.570 1
1 766 . 13 1 1 A 62 62 ASP CB C 62 39.686 39.940 -0.254 1
1 767 . 13 1 1 A 62 62 ASP N N 62 121.643 121.813 -0.170 1
1 768 . 13 1 1 A 63 63 ILE H H 63 7.389 8.346 -0.957 1
1 769 . 13 1 1 A 63 63 ILE HA H 63 4.641 5.173 -0.532 1
1 779 . 13 1 1 A 63 63 ILE C C 63 174.484 174.660 -0.176 1
1 780 . 13 1 1 A 63 63 ILE CA C 63 58.244 58.395 -0.151 1
1 781 . 13 1 1 A 63 63 ILE CB C 63 41.811 42.447 -0.636 1
1 785 . 13 1 1 A 63 63 ILE N N 63 114.509 117.839 -3.330 1
1 786 . 13 1 1 A 64 64 GLN H H 64 8.529 8.723 -0.194 1
1 787 . 13 1 1 A 64 64 GLN HA H 64 4.390 4.943 -0.553 1
1 792 . 13 1 1 A 64 64 GLN C C 64 174.409 175.242 -0.833 1
1 793 . 13 1 1 A 64 64 GLN CA C 64 53.860 53.875 -0.015 1
1 794 . 13 1 1 A 64 64 GLN CB C 64 30.086 32.467 -2.381 1
1 796 . 13 1 1 A 64 64 GLN N N 64 119.145 120.658 -1.513 1
1 797 . 13 1 1 A 65 65 LYS H H 65 8.323 8.519 -0.196 1
1 798 . 13 1 1 A 65 65 LYS HA H 65 4.132 3.898 0.234 1
1 807 . 13 1 1 A 65 65 LYS C C 65 174.920 177.473 -2.553 1
1 808 . 13 1 1 A 65 65 LYS CA C 65 57.603 58.194 -0.591 1
1 809 . 13 1 1 A 65 65 LYS CB C 65 32.341 32.041 0.300 1
1 813 . 13 1 1 A 65 65 LYS N N 65 119.780 122.548 -2.768 1
1 814 . 13 1 1 A 66 66 GLY H H 66 9.313 8.963 0.350 1
1 815 . 13 1 1 A 66 66 GLY HA2 H 66 4.093 3.963 0.130 1
1 816 . 13 1 1 A 66 66 GLY HA3 H 66 3.297 3.965 -0.668 1
1 817 . 13 1 1 A 66 66 GLY C C 66 177.892 174.646 3.246 1
1 818 . 13 1 1 A 66 66 GLY CA C 66 44.953 46.124 -1.171 1
1 819 . 13 1 1 A 66 66 GLY N N 66 112.449 114.681 -2.232 1
1 820 . 13 1 1 A 67 67 ALA H H 67 7.545 7.722 -0.177 1
1 821 . 13 1 1 A 67 67 ALA HA H 67 4.081 4.463 -0.382 1
1 825 . 13 1 1 A 67 67 ALA C C 67 173.517 177.515 -3.998 1
1 826 . 13 1 1 A 67 67 ALA CA C 67 52.802 51.138 1.664 1
1 827 . 13 1 1 A 67 67 ALA CB C 67 20.424 20.512 -0.088 1
1 828 . 13 1 1 A 67 67 ALA N N 67 121.516 123.982 -2.466 1
1 829 . 13 1 1 A 68 68 SER H H 68 8.904 9.131 -0.227 1
1 830 . 13 1 1 A 68 68 SER HA H 68 4.261 4.625 -0.364 1
1 833 . 13 1 1 A 68 68 SER C C 68 177.019 175.380 1.639 1
1 834 . 13 1 1 A 68 68 SER CA C 68 57.321 57.620 -0.299 1
1 835 . 13 1 1 A 68 68 SER CB C 68 65.064 64.670 0.394 1
1 836 . 13 1 1 A 68 68 SER N N 68 119.470 118.387 1.083 1
1 837 . 13 1 1 A 69 69 ASP H H 69 9.379 9.015 0.364 1
1 838 . 13 1 1 A 69 69 ASP HA H 69 4.184 4.215 -0.031 1
1 841 . 13 1 1 A 69 69 ASP C C 69 173.831 177.886 -4.055 1
1 842 . 13 1 1 A 69 69 ASP CA C 69 57.843 57.983 -0.140 1
1 843 . 13 1 1 A 69 69 ASP CB C 69 39.367 41.235 -1.868 1
1 844 . 13 1 1 A 69 69 ASP N N 69 122.205 124.615 -2.410 1
1 845 . 13 1 1 A 70 70 GLU H H 70 8.454 8.275 0.179 1
1 846 . 13 1 1 A 70 70 GLU HA H 70 3.966 3.981 -0.015 1
1 851 . 13 1 1 A 70 70 GLU C C 70 177.979 178.838 -0.859 1
1 852 . 13 1 1 A 70 70 GLU CA C 70 59.987 59.793 0.194 1
1 853 . 13 1 1 A 70 70 GLU CB C 70 28.804 29.184 -0.380 1
1 855 . 13 1 1 A 70 70 GLU N N 70 118.426 118.902 -0.476 1
1 856 . 13 1 1 A 71 71 GLU H H 71 7.835 8.004 -0.169 1
1 857 . 13 1 1 A 71 71 GLU HA H 71 4.050 4.056 -0.006 1
1 862 . 13 1 1 A 71 71 GLU C C 71 178.486 179.183 -0.697 1
1 863 . 13 1 1 A 71 71 GLU CA C 71 58.998 59.193 -0.195 1
1 864 . 13 1 1 A 71 71 GLU CB C 71 29.068 29.225 -0.157 1
1 866 . 13 1 1 A 71 71 GLU N N 71 122.166 119.567 2.599 1
1 867 . 13 1 1 A 72 72 VAL H H 72 8.387 8.286 0.101 1
1 868 . 13 1 1 A 72 72 VAL HA H 72 3.295 3.592 -0.297 1
1 876 . 13 1 1 A 72 72 VAL C C 72 178.603 177.721 0.882 1
1 877 . 13 1 1 A 72 72 VAL CA C 72 66.989 67.031 -0.042 1
1 878 . 13 1 1 A 72 72 VAL CB C 72 31.242 31.433 -0.191 1
1 881 . 13 1 1 A 72 72 VAL N N 72 118.871 119.269 -0.398 1
1 882 . 13 1 1 A 73 73 LYS H H 73 8.619 8.483 0.136 1
1 883 . 13 1 1 A 73 73 LYS HA H 73 3.734 4.034 -0.300 1
1 892 . 13 1 1 A 73 73 LYS C C 73 177.118 178.958 -1.840 1
1 893 . 13 1 1 A 73 73 LYS CA C 73 60.695 59.353 1.342 1
1 894 . 13 1 1 A 73 73 LYS CB C 73 32.320 32.473 -0.153 1
1 898 . 13 1 1 A 73 73 LYS N N 73 118.351 119.737 -1.386 1
1 899 . 13 1 1 A 74 74 LYS H H 74 7.886 7.875 0.011 1
1 900 . 13 1 1 A 74 74 LYS HA H 74 4.133 4.054 0.079 1
1 909 . 13 1 1 A 74 74 LYS C C 74 178.306 179.034 -0.728 1
1 910 . 13 1 1 A 74 74 LYS CA C 74 58.954 59.319 -0.365 1
1 911 . 13 1 1 A 74 74 LYS CB C 74 31.974 32.019 -0.045 1
1 915 . 13 1 1 A 74 74 LYS N N 74 118.808 119.012 -0.204 1
1 916 . 13 1 1 A 75 75 LYS H H 75 8.118 7.910 0.208 1
1 917 . 13 1 1 A 75 75 LYS HA H 75 4.228 4.021 0.207 1
1 926 . 13 1 1 A 75 75 LYS C C 75 178.795 179.539 -0.744 1
1 927 . 13 1 1 A 75 75 LYS CA C 75 57.158 59.229 -2.071 1
1 928 . 13 1 1 A 75 75 LYS CB C 75 31.382 32.126 -0.744 1
1 932 . 13 1 1 A 75 75 LYS N N 75 118.374 118.887 -0.513 1
1 933 . 13 1 1 A 76 76 LEU H H 76 8.778 8.473 0.305 1
1 934 . 13 1 1 A 76 76 LEU HA H 76 3.931 4.091 -0.160 1
1 944 . 13 1 1 A 76 76 LEU C C 76 180.241 178.421 1.820 1
1 945 . 13 1 1 A 76 76 LEU CA C 76 58.203 57.779 0.424 1
1 946 . 13 1 1 A 76 76 LEU CB C 76 42.015 41.589 0.426 1
1 950 . 13 1 1 A 76 76 LEU N N 76 121.253 120.780 0.473 1
1 951 . 13 1 1 A 77 77 GLU H H 77 7.951 8.352 -0.401 1
1 952 . 13 1 1 A 77 77 GLU HA H 77 4.227 3.926 0.301 1
1 957 . 13 1 1 A 77 77 GLU C C 77 178.403 179.078 -0.675 1
1 958 . 13 1 1 A 77 77 GLU CA C 77 58.892 59.856 -0.964 1
1 959 . 13 1 1 A 77 77 GLU CB C 77 28.925 28.992 -0.067 1
1 961 . 13 1 1 A 77 77 GLU N N 77 119.306 119.085 0.221 1
1 962 . 13 1 1 A 78 78 GLU H H 78 8.595 8.188 0.407 1
1 963 . 13 1 1 A 78 78 GLU HA H 78 4.099 4.063 0.036 1
1 968 . 13 1 1 A 78 78 GLU C C 78 180.586 179.071 1.515 1
1 969 . 13 1 1 A 78 78 GLU CA C 78 58.850 59.035 -0.185 1
1 970 . 13 1 1 A 78 78 GLU CB C 78 29.878 29.592 0.286 1
1 972 . 13 1 1 A 78 78 GLU N N 78 120.814 119.239 1.575 1
1 973 . 13 1 1 A 79 79 SER H H 79 7.519 7.870 -0.351 1
1 974 . 13 1 1 A 79 79 SER HA H 79 4.592 4.388 0.204 1
1 977 . 13 1 1 A 79 79 SER C C 79 177.761 174.362 3.399 1
1 978 . 13 1 1 A 79 79 SER CA C 79 58.324 60.998 -2.674 1
1 979 . 13 1 1 A 79 79 SER CB C 79 63.796 63.546 0.250 1
1 980 . 13 1 1 A 79 79 SER N N 79 110.823 116.053 -5.230 1
1 981 . 13 1 1 A 80 80 ASN H H 80 8.126 8.241 -0.115 1
1 982 . 13 1 1 A 80 80 ASN HA H 80 4.700 4.437 0.263 1
1 985 . 13 1 1 A 80 80 ASN C C 80 172.562 175.614 -3.052 1
1 986 . 13 1 1 A 80 80 ASN CA C 80 53.603 53.956 -0.353 1
1 987 . 13 1 1 A 80 80 ASN CB C 80 36.754 37.175 -0.421 1
1 988 . 13 1 1 A 80 80 ASN N N 80 117.027 118.103 -1.076 1
1 989 . 13 1 1 A 81 81 LEU H H 81 8.526 8.152 0.374 1
1 990 . 13 1 1 A 81 81 LEU HA H 81 4.767 4.691 0.076 1
1 1000 . 13 1 1 A 81 81 LEU C C 81 175.743 177.676 -1.933 1
1 1001 . 13 1 1 A 81 81 LEU CA C 81 54.008 54.375 -0.367 1
1 1002 . 13 1 1 A 81 81 LEU CB C 81 45.026 43.260 1.766 1
1 1006 . 13 1 1 A 81 81 LEU N N 81 114.910 119.250 -4.340 1
1 1007 . 13 1 1 A 82 82 THR H H 82 7.848 7.692 0.156 1
1 1008 . 13 1 1 A 82 82 THR HA H 82 4.117 3.938 0.179 1
1 1013 . 13 1 1 A 82 82 THR C C 82 176.676 176.524 0.152 1
1 1014 . 13 1 1 A 82 82 THR CA C 82 67.474 67.079 0.395 1
1 1015 . 13 1 1 A 82 82 THR CB C 82 68.235 68.559 -0.324 1
1 1017 . 13 1 1 A 82 82 THR N N 82 117.802 114.735 3.067 1
1 1018 . 13 1 1 A 83 83 GLU H H 83 8.335 8.221 0.114 1
1 1019 . 13 1 1 A 83 83 GLU HA H 83 3.915 3.969 -0.054 1
1 1024 . 13 1 1 A 83 83 GLU C C 83 175.177 178.941 -3.764 1
1 1025 . 13 1 1 A 83 83 GLU CA C 83 59.541 60.019 -0.478 1
1 1026 . 13 1 1 A 83 83 GLU CB C 83 27.819 29.519 -1.700 1
1 1028 . 13 1 1 A 83 83 GLU N N 83 118.314 120.105 -1.791 1
1 1029 . 13 1 1 A 84 84 TYR H H 84 8.043 8.032 0.011 1
1 1030 . 13 1 1 A 84 84 TYR HA H 84 4.111 4.184 -0.073 1
1 1037 . 13 1 1 A 84 84 TYR C C 84 179.081 178.189 0.892 1
1 1038 . 13 1 1 A 84 84 TYR CA C 84 60.788 61.041 -0.253 1
1 1039 . 13 1 1 A 84 84 TYR CB C 84 37.753 38.650 -0.897 1
1 1040 . 13 1 1 A 84 84 TYR N N 84 121.386 122.106 -0.720 1
1 1041 . 13 1 1 A 85 85 MET H H 85 8.101 7.781 0.320 1
1 1042 . 13 1 1 A 85 85 MET HA H 85 4.259 4.161 0.098 1
1 1047 . 13 1 1 A 85 85 MET C C 85 178.628 178.138 0.490 1
1 1048 . 13 1 1 A 85 85 MET CA C 85 55.244 58.176 -2.932 1
1 1049 . 13 1 1 A 85 85 MET CB C 85 29.597 32.457 -2.860 1
1 1051 . 13 1 1 A 85 85 MET N N 85 116.695 118.915 -2.220 1
1 1052 . 13 1 1 A 86 86 LYS H H 86 7.301 8.149 -0.848 1
1 1053 . 13 1 1 A 86 86 LYS HA H 86 3.937 3.987 -0.050 1
1 1062 . 13 1 1 A 86 86 LYS C C 86 175.934 177.535 -1.601 1
1 1063 . 13 1 1 A 86 86 LYS CA C 86 57.318 59.216 -1.898 1
1 1064 . 13 1 1 A 86 86 LYS CB C 86 32.956 32.182 0.774 1
1 1068 . 13 1 1 A 86 86 LYS N N 86 114.957 119.783 -4.826 1
1 1069 . 13 1 1 A 87 87 GLU H H 87 7.031 7.681 -0.650 1
1 1070 . 13 1 1 A 87 87 GLU HA H 87 4.185 4.234 -0.049 1
1 1075 . 13 1 1 A 87 87 GLU C C 87 176.247 175.591 0.656 1
1 1076 . 13 1 1 A 87 87 GLU CA C 87 55.780 56.577 -0.797 1
1 1077 . 13 1 1 A 87 87 GLU CB C 87 29.358 30.177 -0.819 1
1 1079 . 13 1 1 A 87 87 GLU N N 87 119.315 119.691 -0.376 1
1 1080 . 13 1 1 A 88 88 LYS H H 88 8.466 8.512 -0.046 1
1 1081 . 13 1 1 A 88 88 LYS HA H 88 4.568 4.568 0.000 1
1 1090 . 13 1 1 A 88 88 LYS C C 88 175.539 175.393 0.146 1
1 1091 . 13 1 1 A 88 88 LYS CA C 88 55.271 55.655 -0.384 1
1 1092 . 13 1 1 A 88 88 LYS CB C 88 33.457 32.380 1.077 1
1 1096 . 13 1 1 A 88 88 LYS N N 88 127.402 123.705 3.697 1
1 1097 . 13 1 1 A 89 89 ILE H H 89 8.752 8.603 0.149 1
1 1098 . 13 1 1 A 89 89 ILE HA H 89 4.249 4.563 -0.314 1
1 1108 . 13 1 1 A 89 89 ILE C C 89 176.471 175.381 1.090 1
1 1109 . 13 1 1 A 89 89 ILE CA C 89 59.014 60.561 -1.547 1
1 1110 . 13 1 1 A 89 89 ILE CB C 89 38.437 37.944 0.493 1
1 1114 . 13 1 1 A 89 89 ILE N N 89 122.906 126.103 -3.197 1
1 1115 . 13 1 1 A 90 90 LYS H H 90 8.394 8.879 -0.485 1
1 1116 . 13 1 1 A 90 90 LYS HA H 90 4.284 4.945 -0.661 1
1 1125 . 13 1 1 A 90 90 LYS C C 90 175.276 174.216 1.060 1
1 1126 . 13 1 1 A 90 90 LYS CA C 90 55.821 54.163 1.658 1
1 1127 . 13 1 1 A 90 90 LYS CB C 90 31.860 36.477 -4.617 1
1 1131 . 13 1 1 A 90 90 LYS N N 90 125.894 123.965 1.929 1
1 1132 . 13 1 1 A 91 91 ILE H H 91 8.141 8.216 -0.075 1
1 1133 . 13 1 1 A 91 91 ILE HA H 91 4.165 5.120 -0.955 1
1 1143 . 13 1 1 A 91 91 ILE C C 91 175.506 174.601 0.905 1
1 1144 . 13 1 1 A 91 91 ILE CA C 91 59.516 60.153 -0.637 1
1 1145 . 13 1 1 A 91 91 ILE CB C 91 37.991 40.432 -2.441 1
1 1149 . 13 1 1 A 91 91 ILE N N 91 124.934 121.726 3.208 1
1 1150 . 13 1 1 A 92 92 ARG H H 92 8.488 8.989 -0.501 1
1 1151 . 13 1 1 A 92 92 ARG HA H 92 4.318 5.180 -0.862 1
1 1158 . 13 1 1 A 92 92 ARG C C 92 175.508 174.783 0.725 1
1 1159 . 13 1 1 A 92 92 ARG CA C 92 55.708 54.498 1.210 1
1 1160 . 13 1 1 A 92 92 ARG CB C 92 30.394 34.066 -3.672 1
1 1163 . 13 1 1 A 92 92 ARG N N 92 126.033 124.788 1.245 1
1 1164 . 13 1 1 A 93 93 MET H H 93 8.362 8.877 -0.515 1
1 1165 . 13 1 1 A 93 93 MET C C 93 175.367 173.496 1.871 1
1 1166 . 13 1 1 A 93 93 MET CA C 93 52.994 52.256 0.738 1
1 1167 . 13 1 1 A 93 93 MET CB C 93 32.271 35.185 -2.914 1
1 1168 . 13 1 1 A 93 93 MET N N 93 123.282 119.010 4.272 1
1 1169 . 13 1 1 A 94 94 PRO HA H 94 4.505 4.805 -0.300 1
1 1176 . 13 1 1 A 94 94 PRO CA C 94 62.884 62.770 0.114 1
1 1177 . 13 1 1 A 94 94 PRO CB C 94 31.885 31.812 0.073 1
1 1180 . 13 1 1 A 95 95 THR H H 95 8.180 8.332 -0.152 1
1 1181 . 13 1 1 A 95 95 THR HA H 95 4.320 5.101 -0.781 1
1 1186 . 13 1 1 A 95 95 THR C C 95 176.463 174.329 2.134 1
1 1187 . 13 1 1 A 95 95 THR CA C 95 61.391 60.045 1.346 1
1 1188 . 13 1 1 A 95 95 THR CB C 95 69.583 70.685 -1.102 1
1 1190 . 13 1 1 A 95 95 THR N N 95 114.511 112.448 2.063 1
1 1 . 14 1 1 A 2 2 PRO HA H 2 4.279 4.460 -0.181 1
1 8 . 14 1 1 A 2 2 PRO CA C 2 61.757 63.184 -1.427 1
1 9 . 14 1 1 A 2 2 PRO CB C 2 32.181 31.743 0.438 1
1 12 . 14 1 1 A 3 3 ALA H H 3 8.418 8.630 -0.212 1
1 13 . 14 1 1 A 3 3 ALA HA H 3 4.242 4.789 -0.547 1
1 17 . 14 1 1 A 3 3 ALA C C 3 171.733 176.976 -5.243 1
1 18 . 14 1 1 A 3 3 ALA CA C 3 53.120 50.679 2.441 1
1 19 . 14 1 1 A 3 3 ALA CB C 3 19.076 21.164 -2.088 1
1 20 . 14 1 1 A 3 3 ALA N N 3 122.573 126.077 -3.504 1
1 21 . 14 1 1 A 4 4 ILE H H 4 8.389 8.494 -0.105 1
1 22 . 14 1 1 A 4 4 ILE HA H 4 3.730 3.821 -0.091 1
1 32 . 14 1 1 A 4 4 ILE C C 4 177.391 175.087 2.304 1
1 33 . 14 1 1 A 4 4 ILE CA C 4 60.039 61.600 -1.561 1
1 34 . 14 1 1 A 4 4 ILE CB C 4 34.720 36.829 -2.109 1
1 38 . 14 1 1 A 4 4 ILE N N 4 119.283 119.662 -0.379 1
1 39 . 14 1 1 A 5 5 GLU H H 5 6.799 7.891 -1.092 1
1 40 . 14 1 1 A 5 5 GLU HA H 5 4.630 4.949 -0.319 1
1 45 . 14 1 1 A 5 5 GLU C C 5 173.009 175.117 -2.108 1
1 46 . 14 1 1 A 5 5 GLU CA C 5 53.474 54.244 -0.770 1
1 47 . 14 1 1 A 5 5 GLU CB C 5 32.091 32.518 -0.427 1
1 49 . 14 1 1 A 5 5 GLU N N 5 122.616 120.784 1.832 1
1 50 . 14 1 1 A 6 6 VAL H H 6 8.899 8.489 0.410 1
1 51 . 14 1 1 A 6 6 VAL HA H 6 3.318 4.080 -0.762 1
1 59 . 14 1 1 A 6 6 VAL C C 6 174.172 176.495 -2.323 1
1 60 . 14 1 1 A 6 6 VAL CA C 6 65.581 63.585 1.996 1
1 61 . 14 1 1 A 6 6 VAL CB C 6 30.939 31.398 -0.459 1
1 64 . 14 1 1 A 6 6 VAL N N 6 122.205 118.246 3.959 1
1 65 . 14 1 1 A 7 7 GLY H H 7 9.478 8.947 0.531 1
1 66 . 14 1 1 A 7 7 GLY HA2 H 7 5.016 3.969 1.047 1
1 67 . 14 1 1 A 7 7 GLY HA3 H 7 3.187 3.970 -0.783 1
1 68 . 14 1 1 A 7 7 GLY C C 7 176.688 174.184 2.504 1
1 69 . 14 1 1 A 7 7 GLY CA C 7 44.580 45.011 -0.431 1
1 70 . 14 1 1 A 7 7 GLY N N 7 115.742 114.853 0.889 1
1 71 . 14 1 1 A 8 8 ARG H H 8 8.128 7.601 0.527 1
1 72 . 14 1 1 A 8 8 ARG HA H 8 4.226 4.443 -0.217 1
1 79 . 14 1 1 A 8 8 ARG C C 8 173.667 175.778 -2.111 1
1 80 . 14 1 1 A 8 8 ARG CA C 8 54.906 55.360 -0.454 1
1 81 . 14 1 1 A 8 8 ARG CB C 8 29.331 31.010 -1.679 1
1 84 . 14 1 1 A 8 8 ARG N N 8 120.180 121.949 -1.769 1
1 85 . 14 1 1 A 9 9 ILE H H 9 8.571 8.583 -0.012 1
1 86 . 14 1 1 A 9 9 ILE HA H 9 4.965 4.708 0.257 1
1 96 . 14 1 1 A 9 9 ILE C C 9 175.361 175.590 -0.229 1
1 97 . 14 1 1 A 9 9 ILE CA C 9 61.241 60.817 0.424 1
1 98 . 14 1 1 A 9 9 ILE CB C 9 36.712 38.012 -1.300 1
1 102 . 14 1 1 A 9 9 ILE N N 9 129.626 127.654 1.972 1
1 103 . 14 1 1 A 10 10 CYS H H 10 9.614 9.453 0.161 1
1 104 . 14 1 1 A 10 10 CYS HA H 10 5.471 5.167 0.304 1
1 107 . 14 1 1 A 10 10 CYS C C 10 177.158 172.515 4.643 1
1 108 . 14 1 1 A 10 10 CYS CA C 10 57.088 57.624 -0.536 1
1 109 . 14 1 1 A 10 10 CYS CB C 10 32.935 31.800 1.135 1
1 110 . 14 1 1 A 10 10 CYS N N 10 126.595 125.134 1.461 1
1 111 . 14 1 1 A 11 11 VAL H H 11 8.926 9.393 -0.467 1
1 112 . 14 1 1 A 11 11 VAL HA H 11 4.351 4.805 -0.454 1
1 120 . 14 1 1 A 11 11 VAL C C 11 172.010 175.760 -3.750 1
1 121 . 14 1 1 A 11 11 VAL CA C 11 60.857 59.721 1.136 1
1 122 . 14 1 1 A 11 11 VAL CB C 11 33.989 33.772 0.217 1
1 125 . 14 1 1 A 11 11 VAL N N 11 119.765 124.048 -4.283 1
1 126 . 14 1 1 A 12 12 LYS H H 12 8.961 8.024 0.937 1
1 127 . 14 1 1 A 12 12 LYS HA H 12 4.510 4.379 0.131 1
1 136 . 14 1 1 A 12 12 LYS C C 12 175.625 176.438 -0.813 1
1 137 . 14 1 1 A 12 12 LYS CA C 12 56.422 56.426 -0.004 1
1 138 . 14 1 1 A 12 12 LYS CB C 12 32.726 32.744 -0.018 1
1 142 . 14 1 1 A 12 12 LYS N N 12 127.967 126.190 1.777 1
1 143 . 14 1 1 A 13 13 VAL H H 13 8.522 8.269 0.253 1
1 144 . 14 1 1 A 13 13 VAL HA H 13 4.518 4.126 0.392 1
1 152 . 14 1 1 A 13 13 VAL C C 13 176.284 175.408 0.876 1
1 153 . 14 1 1 A 13 13 VAL CA C 13 61.492 61.609 -0.117 1
1 154 . 14 1 1 A 13 13 VAL CB C 13 32.089 29.898 2.191 1
1 157 . 14 1 1 A 13 13 VAL N N 13 118.593 125.380 -6.787 1
1 158 . 14 1 1 A 14 14 LYS H H 14 7.310 7.666 -0.356 1
1 159 . 14 1 1 A 14 14 LYS HA H 14 4.580 4.490 0.090 1
1 168 . 14 1 1 A 14 14 LYS C C 14 174.043 176.327 -2.284 1
1 169 . 14 1 1 A 14 14 LYS CA C 14 54.090 55.723 -1.633 1
1 170 . 14 1 1 A 14 14 LYS CB C 14 36.489 32.381 4.108 1
1 174 . 14 1 1 A 14 14 LYS N N 14 117.809 124.657 -6.848 1
1 175 . 14 1 1 A 15 15 GLY H H 15 8.548 8.659 -0.111 1
1 176 . 14 1 1 A 15 15 GLY HA2 H 15 4.264 3.884 0.380 1
1 177 . 14 1 1 A 15 15 GLY HA3 H 15 3.845 3.889 -0.044 1
1 178 . 14 1 1 A 15 15 GLY C C 15 175.166 174.241 0.925 1
1 179 . 14 1 1 A 15 15 GLY CA C 15 43.993 46.292 -2.299 1
1 180 . 14 1 1 A 15 15 GLY N N 15 108.732 114.305 -5.573 1
1 181 . 14 1 1 A 16 16 ARG H H 16 8.618 8.340 0.278 1
1 182 . 14 1 1 A 16 16 ARG HA H 16 4.082 4.632 -0.550 1
1 189 . 14 1 1 A 16 16 ARG C C 16 174.254 176.456 -2.202 1
1 190 . 14 1 1 A 16 16 ARG CA C 16 57.950 55.621 2.329 1
1 191 . 14 1 1 A 16 16 ARG CB C 16 29.776 31.228 -1.452 1
1 194 . 14 1 1 A 16 16 ARG N N 16 120.561 124.011 -3.450 1
1 195 . 14 1 1 A 17 17 GLU H H 17 8.935 8.093 0.842 1
1 196 . 14 1 1 A 17 17 GLU HA H 17 4.190 4.595 -0.405 1
1 201 . 14 1 1 A 17 17 GLU C C 17 177.426 176.250 1.176 1
1 202 . 14 1 1 A 17 17 GLU CA C 17 55.386 58.123 -2.737 1
1 203 . 14 1 1 A 17 17 GLU CB C 17 27.412 31.544 -4.132 1
1 205 . 14 1 1 A 17 17 GLU N N 17 115.930 118.876 -2.946 1
1 206 . 14 1 1 A 18 18 ALA H H 18 7.267 7.976 -0.709 1
1 207 . 14 1 1 A 18 18 ALA HA H 18 3.737 4.146 -0.409 1
1 211 . 14 1 1 A 18 18 ALA C C 18 174.969 177.399 -2.430 1
1 212 . 14 1 1 A 18 18 ALA CA C 18 53.272 53.301 -0.029 1
1 213 . 14 1 1 A 18 18 ALA CB C 18 17.382 18.098 -0.716 1
1 214 . 14 1 1 A 18 18 ALA N N 18 120.485 120.749 -0.264 1
1 215 . 14 1 1 A 19 19 GLY H H 19 9.424 8.854 0.570 1
1 216 . 14 1 1 A 19 19 GLY HA2 H 19 4.680 3.890 0.790 1
1 217 . 14 1 1 A 19 19 GLY HA3 H 19 3.451 3.903 -0.452 1
1 218 . 14 1 1 A 19 19 GLY C C 19 178.386 173.491 4.895 1
1 219 . 14 1 1 A 19 19 GLY CA C 19 44.905 45.449 -0.544 1
1 220 . 14 1 1 A 19 19 GLY N N 19 112.194 111.083 1.111 1
1 221 . 14 1 1 A 20 20 SER H H 20 8.162 7.602 0.560 1
1 222 . 14 1 1 A 20 20 SER HA H 20 4.861 5.089 -0.228 1
1 225 . 14 1 1 A 20 20 SER C C 20 173.441 173.086 0.355 1
1 226 . 14 1 1 A 20 20 SER CA C 20 58.253 57.482 0.771 1
1 227 . 14 1 1 A 20 20 SER CB C 20 64.447 64.945 -0.498 1
1 228 . 14 1 1 A 20 20 SER N N 20 115.207 116.030 -0.823 1
1 229 . 14 1 1 A 21 21 LYS H H 21 8.836 8.718 0.118 1
1 230 . 14 1 1 A 21 21 LYS HA H 21 5.369 5.068 0.301 1
1 239 . 14 1 1 A 21 21 LYS C C 21 172.859 175.551 -2.692 1
1 240 . 14 1 1 A 21 21 LYS CA C 21 55.508 54.753 0.755 1
1 241 . 14 1 1 A 21 21 LYS CB C 21 34.795 34.983 -0.188 1
1 245 . 14 1 1 A 21 21 LYS N N 21 121.269 126.009 -4.740 1
1 246 . 14 1 1 A 22 22 CYS H H 22 8.905 8.702 0.203 1
1 247 . 14 1 1 A 22 22 CYS HA H 22 5.527 5.159 0.368 1
1 250 . 14 1 1 A 22 22 CYS C C 22 174.204 172.874 1.330 1
1 251 . 14 1 1 A 22 22 CYS CA C 22 55.584 57.648 -2.064 1
1 252 . 14 1 1 A 22 22 CYS CB C 22 30.941 32.587 -1.646 1
1 253 . 14 1 1 A 22 22 CYS N N 22 110.073 120.937 -10.864 1
1 254 . 14 1 1 A 23 23 VAL H H 23 9.325 8.761 0.564 1
1 255 . 14 1 1 A 23 23 VAL HA H 23 4.761 4.767 -0.006 1
1 263 . 14 1 1 A 23 23 VAL C C 23 171.121 175.486 -4.365 1
1 264 . 14 1 1 A 23 23 VAL CA C 23 60.552 60.963 -0.411 1
1 265 . 14 1 1 A 23 23 VAL CB C 23 35.141 34.383 0.758 1
1 268 . 14 1 1 A 23 23 VAL N N 23 119.042 122.068 -3.026 1
1 269 . 14 1 1 A 24 24 ILE H H 24 8.239 9.161 -0.922 1
1 270 . 14 1 1 A 24 24 ILE HA H 24 4.239 4.115 0.124 1
1 280 . 14 1 1 A 24 24 ILE C C 24 175.805 175.844 -0.039 1
1 281 . 14 1 1 A 24 24 ILE CA C 24 62.552 61.228 1.324 1
1 282 . 14 1 1 A 24 24 ILE CB C 24 36.819 36.874 -0.055 1
1 286 . 14 1 1 A 24 24 ILE N N 24 124.259 126.962 -2.703 1
1 287 . 14 1 1 A 25 25 VAL H H 25 9.205 8.639 0.566 1
1 288 . 14 1 1 A 25 25 VAL HA H 25 4.689 4.187 0.502 1
1 296 . 14 1 1 A 25 25 VAL C C 25 175.650 175.758 -0.108 1
1 297 . 14 1 1 A 25 25 VAL CA C 25 60.947 63.406 -2.459 1
1 298 . 14 1 1 A 25 25 VAL CB C 25 32.986 32.752 0.234 1
1 301 . 14 1 1 A 25 25 VAL N N 25 121.805 128.755 -6.950 1
1 302 . 14 1 1 A 26 26 ASP H H 26 8.103 7.612 0.491 1
1 303 . 14 1 1 A 26 26 ASP HA H 26 4.771 5.092 -0.321 1
1 306 . 14 1 1 A 26 26 ASP C C 26 174.343 173.833 0.510 1
1 307 . 14 1 1 A 26 26 ASP CA C 26 53.671 53.139 0.532 1
1 308 . 14 1 1 A 26 26 ASP CB C 26 43.563 44.418 -0.855 1
1 309 . 14 1 1 A 26 26 ASP N N 26 118.459 120.948 -2.489 1
1 310 . 14 1 1 A 27 27 ILE H H 27 9.092 8.941 0.151 1
1 311 . 14 1 1 A 27 27 ILE HA H 27 4.273 4.332 -0.059 1
1 321 . 14 1 1 A 27 27 ILE C C 27 173.976 175.408 -1.432 1
1 322 . 14 1 1 A 27 27 ILE CA C 27 60.306 60.842 -0.536 1
1 323 . 14 1 1 A 27 27 ILE CB C 27 38.339 37.172 1.167 1
1 327 . 14 1 1 A 27 27 ILE N N 27 124.375 126.256 -1.881 1
1 328 . 14 1 1 A 28 28 ILE H H 28 8.055 8.771 -0.716 1
1 329 . 14 1 1 A 28 28 ILE HA H 28 3.986 4.041 -0.055 1
1 339 . 14 1 1 A 28 28 ILE C C 28 174.733 176.104 -1.371 1
1 340 . 14 1 1 A 28 28 ILE CA C 28 62.414 63.925 -1.511 1
1 341 . 14 1 1 A 28 28 ILE CB C 28 37.450 38.671 -1.221 1
1 345 . 14 1 1 A 28 28 ILE N N 28 127.525 129.279 -1.754 1
1 346 . 14 1 1 A 29 29 ASP H H 29 8.438 8.572 -0.134 1
1 347 . 14 1 1 A 29 29 ASP HA H 29 4.522 5.032 -0.510 1
1 350 . 14 1 1 A 29 29 ASP C C 29 175.289 176.368 -1.079 1
1 351 . 14 1 1 A 29 29 ASP CA C 29 53.316 52.704 0.612 1
1 352 . 14 1 1 A 29 29 ASP CB C 29 39.450 43.950 -4.500 1
1 353 . 14 1 1 A 29 29 ASP N N 29 118.886 118.790 0.096 1
1 354 . 14 1 1 A 30 30 ASP H H 30 8.140 8.853 -0.713 1
1 355 . 14 1 1 A 30 30 ASP HA H 30 4.375 4.344 0.031 1
1 358 . 14 1 1 A 30 30 ASP C C 30 174.332 177.689 -3.357 1
1 359 . 14 1 1 A 30 30 ASP CA C 30 56.171 57.408 -1.237 1
1 360 . 14 1 1 A 30 30 ASP CB C 30 40.302 41.095 -0.793 1
1 361 . 14 1 1 A 30 30 ASP N N 30 112.219 121.911 -9.692 1
1 362 . 14 1 1 A 31 31 ASN H H 31 8.866 8.114 0.752 1
1 363 . 14 1 1 A 31 31 ASN HA H 31 4.805 4.856 -0.051 1
1 366 . 14 1 1 A 31 31 ASN C C 31 175.926 174.747 1.179 1
1 367 . 14 1 1 A 31 31 ASN CA C 31 54.015 53.870 0.145 1
1 368 . 14 1 1 A 31 31 ASN CB C 31 42.366 39.597 2.769 1
1 369 . 14 1 1 A 31 31 ASN N N 31 114.650 115.187 -0.537 1
1 370 . 14 1 1 A 32 32 PHE H H 32 8.481 7.884 0.597 1
1 371 . 14 1 1 A 32 32 PHE HA H 32 5.279 4.892 0.387 1
1 376 . 14 1 1 A 32 32 PHE C C 32 173.451 173.689 -0.238 1
1 377 . 14 1 1 A 32 32 PHE CA C 32 57.629 55.728 1.901 1
1 378 . 14 1 1 A 32 32 PHE CB C 32 42.418 42.010 0.408 1
1 379 . 14 1 1 A 32 32 PHE N N 32 117.648 120.931 -3.283 1
1 380 . 14 1 1 A 33 33 VAL H H 33 8.680 8.856 -0.176 1
1 381 . 14 1 1 A 33 33 VAL HA H 33 4.720 4.961 -0.241 1
1 389 . 14 1 1 A 33 33 VAL C C 33 174.458 173.270 1.188 1
1 390 . 14 1 1 A 33 33 VAL CA C 33 58.331 59.195 -0.864 1
1 391 . 14 1 1 A 33 33 VAL CB C 33 34.410 35.803 -1.393 1
1 394 . 14 1 1 A 33 33 VAL N N 33 110.814 121.803 -10.989 1
1 395 . 14 1 1 A 34 34 LEU H H 34 8.696 9.087 -0.391 1
1 396 . 14 1 1 A 34 34 LEU HA H 34 4.871 5.106 -0.235 1
1 406 . 14 1 1 A 34 34 LEU C C 34 172.716 175.466 -2.750 1
1 407 . 14 1 1 A 34 34 LEU CA C 34 53.776 53.337 0.439 1
1 408 . 14 1 1 A 34 34 LEU CB C 34 44.582 44.559 0.023 1
1 412 . 14 1 1 A 34 34 LEU N N 34 123.160 124.439 -1.279 1
1 413 . 14 1 1 A 35 35 VAL H H 35 8.460 8.786 -0.326 1
1 414 . 14 1 1 A 35 35 VAL HA H 35 5.674 5.177 0.497 1
1 422 . 14 1 1 A 35 35 VAL C C 35 176.009 174.521 1.488 1
1 423 . 14 1 1 A 35 35 VAL CA C 35 57.423 59.843 -2.420 1
1 424 . 14 1 1 A 35 35 VAL CB C 35 35.541 34.159 1.382 1
1 427 . 14 1 1 A 35 35 VAL N N 35 119.184 122.222 -3.038 1
1 428 . 14 1 1 A 36 36 THR H H 36 8.362 8.702 -0.340 1
1 429 . 14 1 1 A 36 36 THR HA H 36 4.535 4.779 -0.244 1
1 434 . 14 1 1 A 36 36 THR C C 36 173.498 172.697 0.801 1
1 435 . 14 1 1 A 36 36 THR CA C 36 59.643 59.902 -0.259 1
1 436 . 14 1 1 A 36 36 THR CB C 36 70.439 69.657 0.782 1
1 438 . 14 1 1 A 36 36 THR N N 36 109.151 116.681 -7.530 1
1 439 . 14 1 1 A 37 37 GLY H H 37 7.571 8.352 -0.781 1
1 440 . 14 1 1 A 37 37 GLY C C 37 172.460 171.183 1.277 1
1 441 . 14 1 1 A 37 37 GLY CA C 37 51.421 44.797 6.624 1
1 442 . 14 1 1 A 37 37 GLY N N 37 115.474 109.956 5.518 1
1 443 . 14 1 1 A 38 38 PRO HA H 38 5.235 5.080 0.155 1
1 450 . 14 1 1 A 38 38 PRO CA C 38 60.459 62.916 -2.457 1
1 451 . 14 1 1 A 38 38 PRO CB C 38 35.517 31.780 3.737 1
1 454 . 14 1 1 A 39 39 LYS H H 39 9.463 9.142 0.321 1
1 455 . 14 1 1 A 39 39 LYS HA H 39 3.545 4.016 -0.471 1
1 464 . 14 1 1 A 39 39 LYS C C 39 179.019 178.564 0.455 1
1 465 . 14 1 1 A 39 39 LYS CA C 39 60.344 58.387 1.957 1
1 466 . 14 1 1 A 39 39 LYS CB C 39 31.826 32.281 -0.455 1
1 470 . 14 1 1 A 39 39 LYS N N 39 127.869 123.102 4.767 1
1 471 . 14 1 1 A 40 40 ASP H H 40 9.035 7.875 1.160 1
1 472 . 14 1 1 A 40 40 ASP HA H 40 4.375 4.424 -0.049 1
1 475 . 14 1 1 A 40 40 ASP C C 40 177.615 177.358 0.257 1
1 476 . 14 1 1 A 40 40 ASP CA C 40 55.080 56.154 -1.074 1
1 477 . 14 1 1 A 40 40 ASP CB C 40 39.209 40.985 -1.776 1
1 478 . 14 1 1 A 40 40 ASP N N 40 115.744 119.110 -3.366 1
1 479 . 14 1 1 A 41 41 ILE H H 41 7.739 7.455 0.284 1
1 480 . 14 1 1 A 41 41 ILE HA H 41 4.218 4.075 0.143 1
1 490 . 14 1 1 A 41 41 ILE C C 41 174.826 177.568 -2.742 1
1 491 . 14 1 1 A 41 41 ILE CA C 41 61.664 63.257 -1.593 1
1 492 . 14 1 1 A 41 41 ILE CB C 41 37.453 39.497 -2.044 1
1 496 . 14 1 1 A 41 41 ILE N N 41 116.447 116.376 0.071 1
1 497 . 14 1 1 A 42 42 THR H H 42 7.766 8.484 -0.718 1
1 498 . 14 1 1 A 42 42 THR HA H 42 4.734 4.437 0.297 1
1 503 . 14 1 1 A 42 42 THR C C 42 175.827 175.522 0.305 1
1 504 . 14 1 1 A 42 42 THR CA C 42 60.110 63.110 -3.000 1
1 505 . 14 1 1 A 42 42 THR CB C 42 71.791 70.534 1.257 1
1 507 . 14 1 1 A 42 42 THR N N 42 104.054 111.132 -7.078 1
1 508 . 14 1 1 A 43 43 GLY H H 43 7.844 8.169 -0.325 1
1 509 . 14 1 1 A 43 43 GLY HA2 H 43 4.461 3.977 0.484 1
1 510 . 14 1 1 A 43 43 GLY HA3 H 43 3.836 3.979 -0.143 1
1 511 . 14 1 1 A 43 43 GLY C C 43 175.208 174.419 0.789 1
1 512 . 14 1 1 A 43 43 GLY CA C 43 44.826 45.246 -0.420 1
1 513 . 14 1 1 A 43 43 GLY N N 43 109.006 109.200 -0.194 1
1 514 . 14 1 1 A 44 44 VAL H H 44 7.289 7.894 -0.605 1
1 515 . 14 1 1 A 44 44 VAL HA H 44 3.945 3.979 -0.034 1
1 523 . 14 1 1 A 44 44 VAL C C 44 173.149 175.251 -2.102 1
1 524 . 14 1 1 A 44 44 VAL CA C 44 62.902 62.475 0.427 1
1 525 . 14 1 1 A 44 44 VAL CB C 44 31.715 31.362 0.353 1
1 528 . 14 1 1 A 44 44 VAL N N 44 120.903 122.404 -1.501 1
1 529 . 14 1 1 A 45 45 LYS H H 45 8.308 8.452 -0.144 1
1 530 . 14 1 1 A 45 45 LYS HA H 45 4.190 4.413 -0.223 1
1 539 . 14 1 1 A 45 45 LYS C C 45 175.177 176.162 -0.985 1
1 540 . 14 1 1 A 45 45 LYS CA C 45 56.355 55.749 0.606 1
1 541 . 14 1 1 A 45 45 LYS CB C 45 33.385 33.569 -0.184 1
1 545 . 14 1 1 A 45 45 LYS N N 45 128.406 127.324 1.082 1
1 546 . 14 1 1 A 46 46 ARG H H 46 8.080 8.539 -0.459 1
1 547 . 14 1 1 A 46 46 ARG HA H 46 5.720 4.781 0.939 1
1 554 . 14 1 1 A 46 46 ARG C C 46 173.780 175.726 -1.946 1
1 555 . 14 1 1 A 46 46 ARG CA C 46 54.888 55.418 -0.530 1
1 556 . 14 1 1 A 46 46 ARG CB C 46 29.630 31.208 -1.578 1
1 559 . 14 1 1 A 46 46 ARG N N 46 120.129 122.220 -2.091 1
1 560 . 14 1 1 A 47 47 ARG H H 47 8.452 8.612 -0.160 1
1 561 . 14 1 1 A 47 47 ARG HA H 47 4.732 5.046 -0.314 1
1 568 . 14 1 1 A 47 47 ARG C C 47 176.138 174.553 1.585 1
1 569 . 14 1 1 A 47 47 ARG CA C 47 54.319 54.484 -0.165 1
1 570 . 14 1 1 A 47 47 ARG CB C 47 33.746 33.839 -0.093 1
1 573 . 14 1 1 A 47 47 ARG N N 47 126.780 123.226 3.554 1
1 574 . 14 1 1 A 48 48 ARG H H 48 8.546 8.558 -0.012 1
1 575 . 14 1 1 A 48 48 ARG HA H 48 5.111 4.853 0.258 1
1 582 . 14 1 1 A 48 48 ARG C C 48 174.339 175.045 -0.706 1
1 583 . 14 1 1 A 48 48 ARG CA C 48 55.524 55.540 -0.016 1
1 584 . 14 1 1 A 48 48 ARG CB C 48 31.132 31.521 -0.389 1
1 587 . 14 1 1 A 48 48 ARG N N 48 121.931 121.884 0.047 1
1 588 . 14 1 1 A 49 49 VAL H H 49 9.485 8.119 1.366 1
1 589 . 14 1 1 A 49 49 VAL HA H 49 4.651 4.520 0.131 1
1 597 . 14 1 1 A 49 49 VAL C C 49 176.112 173.315 2.797 1
1 598 . 14 1 1 A 49 49 VAL CA C 49 60.040 59.390 0.650 1
1 599 . 14 1 1 A 49 49 VAL CB C 49 36.427 35.325 1.102 1
1 602 . 14 1 1 A 49 49 VAL N N 49 122.891 119.314 3.577 1
1 603 . 14 1 1 A 50 50 ASN H H 50 8.569 8.525 0.044 1
1 604 . 14 1 1 A 50 50 ASN HA H 50 4.213 5.127 -0.914 1
1 607 . 14 1 1 A 50 50 ASN C C 50 173.258 177.488 -4.230 1
1 608 . 14 1 1 A 50 50 ASN CA C 50 52.732 51.908 0.824 1
1 609 . 14 1 1 A 50 50 ASN CB C 50 38.173 39.779 -1.606 1
1 610 . 14 1 1 A 50 50 ASN N N 50 125.736 121.588 4.148 1
1 611 . 14 1 1 A 51 51 ILE H H 51 8.601 8.629 -0.028 1
1 612 . 14 1 1 A 51 51 ILE HA H 51 3.632 4.121 -0.489 1
1 622 . 14 1 1 A 51 51 ILE C C 51 176.785 176.412 0.373 1
1 623 . 14 1 1 A 51 51 ILE CA C 51 65.046 62.392 2.654 1
1 624 . 14 1 1 A 51 51 ILE CB C 51 38.532 37.716 0.816 1
1 628 . 14 1 1 A 51 51 ILE N N 51 126.454 116.803 9.651 1
1 629 . 14 1 1 A 52 52 LEU H H 52 8.448 7.801 0.647 1
1 630 . 14 1 1 A 52 52 LEU HA H 52 4.290 4.322 -0.032 1
1 640 . 14 1 1 A 52 52 LEU C C 52 176.765 176.603 0.162 1
1 641 . 14 1 1 A 52 52 LEU CA C 52 55.880 55.849 0.031 1
1 642 . 14 1 1 A 52 52 LEU CB C 52 40.983 42.229 -1.246 1
1 646 . 14 1 1 A 52 52 LEU N N 52 118.365 121.081 -2.716 1
1 647 . 14 1 1 A 53 53 HIS H H 53 8.358 7.949 0.409 1
1 648 . 14 1 1 A 53 53 HIS HA H 53 4.621 4.815 -0.194 1
1 651 . 14 1 1 A 53 53 HIS C C 53 178.018 173.596 4.422 1
1 652 . 14 1 1 A 53 53 HIS CA C 53 53.996 54.594 -0.598 1
1 653 . 14 1 1 A 53 53 HIS CB C 53 30.306 30.716 -0.410 1
1 654 . 14 1 1 A 53 53 HIS N N 53 116.672 119.439 -2.767 1
1 655 . 14 1 1 A 54 54 LEU H H 54 7.693 7.614 0.079 1
1 656 . 14 1 1 A 54 54 LEU HA H 54 5.222 4.781 0.441 1
1 666 . 14 1 1 A 54 54 LEU C C 54 173.609 175.350 -1.741 1
1 667 . 14 1 1 A 54 54 LEU CA C 54 52.932 53.562 -0.630 1
1 668 . 14 1 1 A 54 54 LEU CB C 54 45.943 45.358 0.585 1
1 672 . 14 1 1 A 54 54 LEU N N 54 119.311 121.448 -2.137 1
1 673 . 14 1 1 A 55 55 GLU H H 55 9.073 8.827 0.246 1
1 674 . 14 1 1 A 55 55 GLU C C 55 175.102 174.029 1.073 1
1 675 . 14 1 1 A 55 55 GLU CA C 55 52.073 52.776 -0.703 1
1 676 . 14 1 1 A 55 55 GLU CB C 55 31.958 31.489 0.469 1
1 677 . 14 1 1 A 55 55 GLU N N 55 120.139 121.678 -1.539 1
1 678 . 14 1 1 A 56 56 PRO HA H 56 4.903 4.743 0.160 1
1 685 . 14 1 1 A 56 56 PRO CA C 56 63.121 62.381 0.740 1
1 686 . 14 1 1 A 56 56 PRO CB C 56 32.274 32.591 -0.317 1
1 689 . 14 1 1 A 57 57 THR H H 57 8.502 7.848 0.654 1
1 690 . 14 1 1 A 57 57 THR HA H 57 4.932 4.588 0.344 1
1 695 . 14 1 1 A 57 57 THR C C 57 175.894 175.160 0.734 1
1 696 . 14 1 1 A 57 57 THR CA C 57 60.602 60.641 -0.039 1
1 697 . 14 1 1 A 57 57 THR CB C 57 71.821 71.428 0.393 1
1 699 . 14 1 1 A 57 57 THR N N 57 113.388 112.986 0.402 1
1 700 . 14 1 1 A 58 58 ASP H H 58 8.605 8.972 -0.367 1
1 701 . 14 1 1 A 58 58 ASP HA H 58 4.445 4.472 -0.027 1
1 704 . 14 1 1 A 58 58 ASP C C 58 173.673 175.748 -2.075 1
1 705 . 14 1 1 A 58 58 ASP CA C 58 53.743 57.058 -3.315 1
1 706 . 14 1 1 A 58 58 ASP CB C 58 39.622 40.995 -1.373 1
1 707 . 14 1 1 A 58 58 ASP N N 58 115.340 121.251 -5.911 1
1 708 . 14 1 1 A 59 59 LYS H H 59 8.544 7.623 0.921 1
1 709 . 14 1 1 A 59 59 LYS HA H 59 4.646 4.806 -0.160 1
1 718 . 14 1 1 A 59 59 LYS C C 59 174.972 175.409 -0.437 1
1 719 . 14 1 1 A 59 59 LYS CA C 59 54.336 54.886 -0.550 1
1 720 . 14 1 1 A 59 59 LYS CB C 59 34.626 35.883 -1.257 1
1 724 . 14 1 1 A 59 59 LYS N N 59 119.488 116.695 2.793 1
1 725 . 14 1 1 A 60 60 LYS H H 60 8.227 8.901 -0.674 1
1 726 . 14 1 1 A 60 60 LYS HA H 60 4.999 5.015 -0.016 1
1 735 . 14 1 1 A 60 60 LYS C C 60 174.256 174.950 -0.694 1
1 736 . 14 1 1 A 60 60 LYS CA C 60 54.465 54.330 0.135 1
1 737 . 14 1 1 A 60 60 LYS CB C 60 36.153 36.574 -0.421 1
1 741 . 14 1 1 A 60 60 LYS N N 60 121.112 119.313 1.799 1
1 742 . 14 1 1 A 61 61 ILE H H 61 8.527 8.986 -0.459 1
1 743 . 14 1 1 A 61 61 ILE HA H 61 4.724 5.063 -0.339 1
1 753 . 14 1 1 A 61 61 ILE C C 61 174.330 173.428 0.902 1
1 754 . 14 1 1 A 61 61 ILE CA C 61 58.831 58.594 0.237 1
1 755 . 14 1 1 A 61 61 ILE CB C 61 41.357 42.163 -0.806 1
1 759 . 14 1 1 A 61 61 ILE N N 61 116.027 113.107 2.920 1
1 760 . 14 1 1 A 62 62 ASP H H 62 8.513 8.763 -0.250 1
1 761 . 14 1 1 A 62 62 ASP HA H 62 4.732 5.412 -0.680 1
1 764 . 14 1 1 A 62 62 ASP C C 62 174.224 175.041 -0.817 1
1 765 . 14 1 1 A 62 62 ASP CA C 62 53.163 52.757 0.406 1
1 766 . 14 1 1 A 62 62 ASP CB C 62 39.686 43.190 -3.504 1
1 767 . 14 1 1 A 62 62 ASP N N 62 121.643 121.328 0.315 1
1 768 . 14 1 1 A 63 63 ILE H H 63 7.389 8.892 -1.503 1
1 769 . 14 1 1 A 63 63 ILE HA H 63 4.641 5.074 -0.433 1
1 779 . 14 1 1 A 63 63 ILE C C 63 174.484 174.240 0.244 1
1 780 . 14 1 1 A 63 63 ILE CA C 63 58.244 58.253 -0.009 1
1 781 . 14 1 1 A 63 63 ILE CB C 63 41.811 42.514 -0.703 1
1 785 . 14 1 1 A 63 63 ILE N N 63 114.509 121.207 -6.698 1
1 786 . 14 1 1 A 64 64 GLN H H 64 8.529 8.588 -0.059 1
1 787 . 14 1 1 A 64 64 GLN HA H 64 4.390 4.873 -0.483 1
1 792 . 14 1 1 A 64 64 GLN C C 64 174.409 175.674 -1.265 1
1 793 . 14 1 1 A 64 64 GLN CA C 64 53.860 54.456 -0.596 1
1 794 . 14 1 1 A 64 64 GLN CB C 64 30.086 31.141 -1.055 1
1 796 . 14 1 1 A 64 64 GLN N N 64 119.145 121.761 -2.616 1
1 797 . 14 1 1 A 65 65 LYS H H 65 8.323 8.631 -0.308 1
1 798 . 14 1 1 A 65 65 LYS HA H 65 4.132 3.858 0.274 1
1 807 . 14 1 1 A 65 65 LYS C C 65 174.920 177.546 -2.626 1
1 808 . 14 1 1 A 65 65 LYS CA C 65 57.603 58.231 -0.628 1
1 809 . 14 1 1 A 65 65 LYS CB C 65 32.341 32.090 0.251 1
1 813 . 14 1 1 A 65 65 LYS N N 65 119.780 124.951 -5.171 1
1 814 . 14 1 1 A 66 66 GLY H H 66 9.313 8.928 0.385 1
1 815 . 14 1 1 A 66 66 GLY HA2 H 66 4.093 3.882 0.211 1
1 816 . 14 1 1 A 66 66 GLY HA3 H 66 3.297 3.883 -0.586 1
1 817 . 14 1 1 A 66 66 GLY C C 66 177.892 175.122 2.770 1
1 818 . 14 1 1 A 66 66 GLY CA C 66 44.953 45.845 -0.892 1
1 819 . 14 1 1 A 66 66 GLY N N 66 112.449 114.705 -2.256 1
1 820 . 14 1 1 A 67 67 ALA H H 67 7.545 8.143 -0.598 1
1 821 . 14 1 1 A 67 67 ALA HA H 67 4.081 4.416 -0.335 1
1 825 . 14 1 1 A 67 67 ALA C C 67 173.517 178.167 -4.650 1
1 826 . 14 1 1 A 67 67 ALA CA C 67 52.802 52.472 0.330 1
1 827 . 14 1 1 A 67 67 ALA CB C 67 20.424 19.916 0.508 1
1 828 . 14 1 1 A 67 67 ALA N N 67 121.516 124.111 -2.595 1
1 829 . 14 1 1 A 68 68 SER H H 68 8.904 8.744 0.160 1
1 830 . 14 1 1 A 68 68 SER HA H 68 4.261 4.893 -0.632 1
1 833 . 14 1 1 A 68 68 SER C C 68 177.019 174.976 2.043 1
1 834 . 14 1 1 A 68 68 SER CA C 68 57.321 56.943 0.378 1
1 835 . 14 1 1 A 68 68 SER CB C 68 65.064 65.687 -0.623 1
1 836 . 14 1 1 A 68 68 SER N N 68 119.470 114.818 4.652 1
1 837 . 14 1 1 A 69 69 ASP H H 69 9.379 8.975 0.404 1
1 838 . 14 1 1 A 69 69 ASP HA H 69 4.184 4.279 -0.095 1
1 841 . 14 1 1 A 69 69 ASP C C 69 173.831 177.745 -3.914 1
1 842 . 14 1 1 A 69 69 ASP CA C 69 57.843 57.784 0.059 1
1 843 . 14 1 1 A 69 69 ASP CB C 69 39.367 40.827 -1.460 1
1 844 . 14 1 1 A 69 69 ASP N N 69 122.205 121.592 0.613 1
1 845 . 14 1 1 A 70 70 GLU H H 70 8.454 8.063 0.391 1
1 846 . 14 1 1 A 70 70 GLU HA H 70 3.966 4.057 -0.091 1
1 851 . 14 1 1 A 70 70 GLU C C 70 177.979 178.823 -0.844 1
1 852 . 14 1 1 A 70 70 GLU CA C 70 59.987 59.165 0.822 1
1 853 . 14 1 1 A 70 70 GLU CB C 70 28.804 29.255 -0.451 1
1 855 . 14 1 1 A 70 70 GLU N N 70 118.426 119.288 -0.862 1
1 856 . 14 1 1 A 71 71 GLU H H 71 7.835 7.688 0.147 1
1 857 . 14 1 1 A 71 71 GLU HA H 71 4.050 4.103 -0.053 1
1 862 . 14 1 1 A 71 71 GLU C C 71 178.486 178.936 -0.450 1
1 863 . 14 1 1 A 71 71 GLU CA C 71 58.998 58.907 0.091 1
1 864 . 14 1 1 A 71 71 GLU CB C 71 29.068 29.890 -0.822 1
1 866 . 14 1 1 A 71 71 GLU N N 71 122.166 120.288 1.878 1
1 867 . 14 1 1 A 72 72 VAL H H 72 8.387 8.432 -0.045 1
1 868 . 14 1 1 A 72 72 VAL HA H 72 3.295 3.541 -0.246 1
1 876 . 14 1 1 A 72 72 VAL C C 72 178.603 177.861 0.742 1
1 877 . 14 1 1 A 72 72 VAL CA C 72 66.989 66.998 -0.009 1
1 878 . 14 1 1 A 72 72 VAL CB C 72 31.242 31.470 -0.228 1
1 881 . 14 1 1 A 72 72 VAL N N 72 118.871 119.128 -0.257 1
1 882 . 14 1 1 A 73 73 LYS H H 73 8.619 8.089 0.530 1
1 883 . 14 1 1 A 73 73 LYS HA H 73 3.734 4.079 -0.345 1
1 892 . 14 1 1 A 73 73 LYS C C 73 177.118 178.414 -1.296 1
1 893 . 14 1 1 A 73 73 LYS CA C 73 60.695 59.004 1.691 1
1 894 . 14 1 1 A 73 73 LYS CB C 73 32.320 32.356 -0.036 1
1 898 . 14 1 1 A 73 73 LYS N N 73 118.351 119.768 -1.417 1
1 899 . 14 1 1 A 74 74 LYS H H 74 7.886 8.031 -0.145 1
1 900 . 14 1 1 A 74 74 LYS HA H 74 4.133 3.962 0.171 1
1 909 . 14 1 1 A 74 74 LYS C C 74 178.306 179.554 -1.248 1
1 910 . 14 1 1 A 74 74 LYS CA C 74 58.954 59.886 -0.932 1
1 911 . 14 1 1 A 74 74 LYS CB C 74 31.974 32.278 -0.304 1
1 915 . 14 1 1 A 74 74 LYS N N 74 118.808 117.833 0.975 1
1 916 . 14 1 1 A 75 75 LYS H H 75 8.118 7.661 0.457 1
1 917 . 14 1 1 A 75 75 LYS HA H 75 4.228 3.999 0.229 1
1 926 . 14 1 1 A 75 75 LYS C C 75 178.795 179.332 -0.537 1
1 927 . 14 1 1 A 75 75 LYS CA C 75 57.158 59.471 -2.313 1
1 928 . 14 1 1 A 75 75 LYS CB C 75 31.382 32.343 -0.961 1
1 932 . 14 1 1 A 75 75 LYS N N 75 118.374 119.225 -0.851 1
1 933 . 14 1 1 A 76 76 LEU H H 76 8.778 8.581 0.197 1
1 934 . 14 1 1 A 76 76 LEU HA H 76 3.931 4.081 -0.150 1
1 944 . 14 1 1 A 76 76 LEU C C 76 180.241 178.290 1.951 1
1 945 . 14 1 1 A 76 76 LEU CA C 76 58.203 57.895 0.308 1
1 946 . 14 1 1 A 76 76 LEU CB C 76 42.015 41.943 0.072 1
1 950 . 14 1 1 A 76 76 LEU N N 76 121.253 121.182 0.071 1
1 951 . 14 1 1 A 77 77 GLU H H 77 7.951 8.067 -0.116 1
1 952 . 14 1 1 A 77 77 GLU HA H 77 4.227 4.250 -0.023 1
1 957 . 14 1 1 A 77 77 GLU C C 77 178.403 178.773 -0.370 1
1 958 . 14 1 1 A 77 77 GLU CA C 77 58.892 59.473 -0.581 1
1 959 . 14 1 1 A 77 77 GLU CB C 77 28.925 29.380 -0.455 1
1 961 . 14 1 1 A 77 77 GLU N N 77 119.306 119.065 0.241 1
1 962 . 14 1 1 A 78 78 GLU H H 78 8.595 8.580 0.015 1
1 963 . 14 1 1 A 78 78 GLU HA H 78 4.099 4.144 -0.045 1
1 968 . 14 1 1 A 78 78 GLU C C 78 180.586 178.714 1.872 1
1 969 . 14 1 1 A 78 78 GLU CA C 78 58.850 59.607 -0.757 1
1 970 . 14 1 1 A 78 78 GLU CB C 78 29.878 29.183 0.695 1
1 972 . 14 1 1 A 78 78 GLU N N 78 120.814 119.941 0.873 1
1 973 . 14 1 1 A 79 79 SER H H 79 7.519 8.207 -0.688 1
1 974 . 14 1 1 A 79 79 SER HA H 79 4.592 4.483 0.109 1
1 977 . 14 1 1 A 79 79 SER C C 79 177.761 173.182 4.579 1
1 978 . 14 1 1 A 79 79 SER CA C 79 58.324 58.351 -0.027 1
1 979 . 14 1 1 A 79 79 SER CB C 79 63.796 63.351 0.445 1
1 980 . 14 1 1 A 79 79 SER N N 79 110.823 113.962 -3.139 1
1 981 . 14 1 1 A 80 80 ASN H H 80 8.126 7.953 0.173 1
1 982 . 14 1 1 A 80 80 ASN HA H 80 4.700 4.585 0.115 1
1 985 . 14 1 1 A 80 80 ASN C C 80 172.562 175.580 -3.018 1
1 986 . 14 1 1 A 80 80 ASN CA C 80 53.603 54.468 -0.865 1
1 987 . 14 1 1 A 80 80 ASN CB C 80 36.754 36.478 0.276 1
1 988 . 14 1 1 A 80 80 ASN N N 80 117.027 116.251 0.776 1
1 989 . 14 1 1 A 81 81 LEU H H 81 8.526 8.217 0.309 1
1 990 . 14 1 1 A 81 81 LEU HA H 81 4.767 4.535 0.232 1
1 1000 . 14 1 1 A 81 81 LEU C C 81 175.743 177.743 -2.000 1
1 1001 . 14 1 1 A 81 81 LEU CA C 81 54.008 54.656 -0.648 1
1 1002 . 14 1 1 A 81 81 LEU CB C 81 45.026 42.309 2.717 1
1 1006 . 14 1 1 A 81 81 LEU N N 81 114.910 117.207 -2.297 1
1 1007 . 14 1 1 A 82 82 THR H H 82 7.848 7.917 -0.069 1
1 1008 . 14 1 1 A 82 82 THR HA H 82 4.117 3.877 0.240 1
1 1013 . 14 1 1 A 82 82 THR C C 82 176.676 176.150 0.526 1
1 1014 . 14 1 1 A 82 82 THR CA C 82 67.474 67.140 0.334 1
1 1015 . 14 1 1 A 82 82 THR CB C 82 68.235 68.240 -0.005 1
1 1017 . 14 1 1 A 82 82 THR N N 82 117.802 114.965 2.837 1
1 1018 . 14 1 1 A 83 83 GLU H H 83 8.335 8.315 0.020 1
1 1019 . 14 1 1 A 83 83 GLU HA H 83 3.915 3.988 -0.073 1
1 1024 . 14 1 1 A 83 83 GLU C C 83 175.177 178.422 -3.245 1
1 1025 . 14 1 1 A 83 83 GLU CA C 83 59.541 59.521 0.020 1
1 1026 . 14 1 1 A 83 83 GLU CB C 83 27.819 29.481 -1.662 1
1 1028 . 14 1 1 A 83 83 GLU N N 83 118.314 121.246 -2.932 1
1 1029 . 14 1 1 A 84 84 TYR H H 84 8.043 8.286 -0.243 1
1 1030 . 14 1 1 A 84 84 TYR HA H 84 4.111 4.160 -0.049 1
1 1037 . 14 1 1 A 84 84 TYR C C 84 179.081 177.990 1.091 1
1 1038 . 14 1 1 A 84 84 TYR CA C 84 60.788 61.135 -0.347 1
1 1039 . 14 1 1 A 84 84 TYR CB C 84 37.753 38.836 -1.083 1
1 1040 . 14 1 1 A 84 84 TYR N N 84 121.386 121.047 0.339 1
1 1041 . 14 1 1 A 85 85 MET H H 85 8.101 8.028 0.073 1
1 1042 . 14 1 1 A 85 85 MET HA H 85 4.259 4.077 0.182 1
1 1047 . 14 1 1 A 85 85 MET C C 85 178.628 178.326 0.302 1
1 1048 . 14 1 1 A 85 85 MET CA C 85 55.244 58.033 -2.789 1
1 1049 . 14 1 1 A 85 85 MET CB C 85 29.597 32.284 -2.687 1
1 1051 . 14 1 1 A 85 85 MET N N 85 116.695 118.432 -1.737 1
1 1052 . 14 1 1 A 86 86 LYS H H 86 7.301 7.926 -0.625 1
1 1053 . 14 1 1 A 86 86 LYS HA H 86 3.937 3.978 -0.041 1
1 1062 . 14 1 1 A 86 86 LYS C C 86 175.934 177.443 -1.509 1
1 1063 . 14 1 1 A 86 86 LYS CA C 86 57.318 58.683 -1.365 1
1 1064 . 14 1 1 A 86 86 LYS CB C 86 32.956 31.721 1.235 1
1 1068 . 14 1 1 A 86 86 LYS N N 86 114.957 119.369 -4.412 1
1 1069 . 14 1 1 A 87 87 GLU H H 87 7.031 7.433 -0.402 1
1 1070 . 14 1 1 A 87 87 GLU HA H 87 4.185 4.099 0.086 1
1 1075 . 14 1 1 A 87 87 GLU C C 87 176.247 175.844 0.403 1
1 1076 . 14 1 1 A 87 87 GLU CA C 87 55.780 56.944 -1.164 1
1 1077 . 14 1 1 A 87 87 GLU CB C 87 29.358 30.138 -0.780 1
1 1079 . 14 1 1 A 87 87 GLU N N 87 119.315 119.806 -0.491 1
1 1080 . 14 1 1 A 88 88 LYS H H 88 8.466 8.636 -0.170 1
1 1081 . 14 1 1 A 88 88 LYS HA H 88 4.568 4.960 -0.392 1
1 1090 . 14 1 1 A 88 88 LYS C C 88 175.539 175.644 -0.105 1
1 1091 . 14 1 1 A 88 88 LYS CA C 88 55.271 54.895 0.376 1
1 1092 . 14 1 1 A 88 88 LYS CB C 88 33.457 34.788 -1.331 1
1 1096 . 14 1 1 A 88 88 LYS N N 88 127.402 122.168 5.234 1
1 1097 . 14 1 1 A 89 89 ILE H H 89 8.752 8.683 0.069 1
1 1098 . 14 1 1 A 89 89 ILE HA H 89 4.249 4.553 -0.304 1
1 1108 . 14 1 1 A 89 89 ILE C C 89 176.471 176.004 0.467 1
1 1109 . 14 1 1 A 89 89 ILE CA C 89 59.014 60.065 -1.051 1
1 1110 . 14 1 1 A 89 89 ILE CB C 89 38.437 39.877 -1.440 1
1 1114 . 14 1 1 A 89 89 ILE N N 89 122.906 122.719 0.187 1
1 1115 . 14 1 1 A 90 90 LYS H H 90 8.394 8.299 0.095 1
1 1116 . 14 1 1 A 90 90 LYS HA H 90 4.284 4.513 -0.229 1
1 1125 . 14 1 1 A 90 90 LYS C C 90 175.276 176.478 -1.202 1
1 1126 . 14 1 1 A 90 90 LYS CA C 90 55.821 56.131 -0.310 1
1 1127 . 14 1 1 A 90 90 LYS CB C 90 31.860 33.145 -1.285 1
1 1131 . 14 1 1 A 90 90 LYS N N 90 125.894 126.492 -0.598 1
1 1132 . 14 1 1 A 91 91 ILE H H 91 8.141 8.484 -0.343 1
1 1133 . 14 1 1 A 91 91 ILE HA H 91 4.165 4.271 -0.106 1
1 1143 . 14 1 1 A 91 91 ILE C C 91 175.506 174.583 0.923 1
1 1144 . 14 1 1 A 91 91 ILE CA C 91 59.516 60.938 -1.422 1
1 1145 . 14 1 1 A 91 91 ILE CB C 91 37.991 37.620 0.371 1
1 1149 . 14 1 1 A 91 91 ILE N N 91 124.934 124.835 0.099 1
1 1150 . 14 1 1 A 92 92 ARG H H 92 8.488 8.807 -0.319 1
1 1151 . 14 1 1 A 92 92 ARG HA H 92 4.318 4.676 -0.358 1
1 1158 . 14 1 1 A 92 92 ARG C C 92 175.508 174.912 0.596 1
1 1159 . 14 1 1 A 92 92 ARG CA C 92 55.708 55.131 0.577 1
1 1160 . 14 1 1 A 92 92 ARG CB C 92 30.394 31.144 -0.750 1
1 1163 . 14 1 1 A 92 92 ARG N N 92 126.033 128.332 -2.299 1
1 1164 . 14 1 1 A 93 93 MET H H 93 8.362 8.826 -0.464 1
1 1165 . 14 1 1 A 93 93 MET C C 93 175.367 176.421 -1.054 1
1 1166 . 14 1 1 A 93 93 MET CA C 93 52.994 54.813 -1.819 1
1 1167 . 14 1 1 A 93 93 MET CB C 93 32.271 32.515 -0.244 1
1 1168 . 14 1 1 A 93 93 MET N N 93 123.282 127.541 -4.259 1
1 1169 . 14 1 1 A 94 94 PRO HA H 94 4.505 4.427 0.078 1
1 1176 . 14 1 1 A 94 94 PRO CA C 94 62.884 64.916 -2.032 1
1 1177 . 14 1 1 A 94 94 PRO CB C 94 31.885 31.913 -0.028 1
1 1180 . 14 1 1 A 95 95 THR H H 95 8.180 7.979 0.201 1
1 1181 . 14 1 1 A 95 95 THR HA H 95 4.320 4.260 0.060 1
1 1186 . 14 1 1 A 95 95 THR C C 95 176.463 173.451 3.012 1
1 1187 . 14 1 1 A 95 95 THR CA C 95 61.391 62.939 -1.548 1
1 1188 . 14 1 1 A 95 95 THR CB C 95 69.583 67.814 1.769 1
1 1190 . 14 1 1 A 95 95 THR N N 95 114.511 110.915 3.596 1
1 1 . 15 1 1 A 2 2 PRO HA H 2 4.279 4.730 -0.451 1
1 8 . 15 1 1 A 2 2 PRO CA C 2 61.757 62.589 -0.832 1
1 9 . 15 1 1 A 2 2 PRO CB C 2 32.181 31.552 0.629 1
1 12 . 15 1 1 A 3 3 ALA H H 3 8.418 8.626 -0.208 1
1 13 . 15 1 1 A 3 3 ALA HA H 3 4.242 4.770 -0.528 1
1 17 . 15 1 1 A 3 3 ALA C C 3 171.733 176.996 -5.263 1
1 18 . 15 1 1 A 3 3 ALA CA C 3 53.120 50.837 2.283 1
1 19 . 15 1 1 A 3 3 ALA CB C 3 19.076 20.709 -1.633 1
1 20 . 15 1 1 A 3 3 ALA N N 3 122.573 126.875 -4.302 1
1 21 . 15 1 1 A 4 4 ILE H H 4 8.389 8.490 -0.101 1
1 22 . 15 1 1 A 4 4 ILE HA H 4 3.730 3.883 -0.153 1
1 32 . 15 1 1 A 4 4 ILE C C 4 177.391 174.384 3.007 1
1 33 . 15 1 1 A 4 4 ILE CA C 4 60.039 61.620 -1.581 1
1 34 . 15 1 1 A 4 4 ILE CB C 4 34.720 36.787 -2.067 1
1 38 . 15 1 1 A 4 4 ILE N N 4 119.283 120.156 -0.873 1
1 39 . 15 1 1 A 5 5 GLU H H 5 6.799 7.891 -1.092 1
1 40 . 15 1 1 A 5 5 GLU HA H 5 4.630 4.621 0.009 1
1 45 . 15 1 1 A 5 5 GLU C C 5 173.009 174.928 -1.919 1
1 46 . 15 1 1 A 5 5 GLU CA C 5 53.474 55.155 -1.681 1
1 47 . 15 1 1 A 5 5 GLU CB C 5 32.091 33.510 -1.419 1
1 49 . 15 1 1 A 5 5 GLU N N 5 122.616 123.874 -1.258 1
1 50 . 15 1 1 A 6 6 VAL H H 6 8.899 8.520 0.379 1
1 51 . 15 1 1 A 6 6 VAL HA H 6 3.318 4.198 -0.880 1
1 59 . 15 1 1 A 6 6 VAL C C 6 174.172 176.363 -2.191 1
1 60 . 15 1 1 A 6 6 VAL CA C 6 65.581 63.349 2.232 1
1 61 . 15 1 1 A 6 6 VAL CB C 6 30.939 31.479 -0.540 1
1 64 . 15 1 1 A 6 6 VAL N N 6 122.205 123.078 -0.873 1
1 65 . 15 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 15 1 1 A 7 7 GLY HA2 H 7 5.016 4.023 0.993 1
1 67 . 15 1 1 A 7 7 GLY HA3 H 7 3.187 4.025 -0.838 1
1 68 . 15 1 1 A 7 7 GLY C C 7 176.688 174.149 2.539 1
1 69 . 15 1 1 A 7 7 GLY CA C 7 44.580 44.996 -0.416 1
1 70 . 15 1 1 A 7 7 GLY N N 7 115.742 114.728 1.014 1
1 71 . 15 1 1 A 8 8 ARG H H 8 8.128 7.756 0.372 1
1 72 . 15 1 1 A 8 8 ARG HA H 8 4.226 4.470 -0.244 1
1 79 . 15 1 1 A 8 8 ARG C C 8 173.667 175.831 -2.164 1
1 80 . 15 1 1 A 8 8 ARG CA C 8 54.906 55.030 -0.124 1
1 81 . 15 1 1 A 8 8 ARG CB C 8 29.331 31.469 -2.138 1
1 84 . 15 1 1 A 8 8 ARG N N 8 120.180 121.752 -1.572 1
1 85 . 15 1 1 A 9 9 ILE H H 9 8.571 8.284 0.287 1
1 86 . 15 1 1 A 9 9 ILE HA H 9 4.965 4.348 0.617 1
1 96 . 15 1 1 A 9 9 ILE C C 9 175.361 175.272 0.089 1
1 97 . 15 1 1 A 9 9 ILE CA C 9 61.241 61.201 0.040 1
1 98 . 15 1 1 A 9 9 ILE CB C 9 36.712 38.221 -1.509 1
1 102 . 15 1 1 A 9 9 ILE N N 9 129.626 125.510 4.116 1
1 103 . 15 1 1 A 10 10 CYS H H 10 9.614 9.424 0.190 1
1 104 . 15 1 1 A 10 10 CYS HA H 10 5.471 5.306 0.165 1
1 107 . 15 1 1 A 10 10 CYS C C 10 177.158 173.157 4.001 1
1 108 . 15 1 1 A 10 10 CYS CA C 10 57.088 57.753 -0.665 1
1 109 . 15 1 1 A 10 10 CYS CB C 10 32.935 32.861 0.074 1
1 110 . 15 1 1 A 10 10 CYS N N 10 126.595 122.696 3.899 1
1 111 . 15 1 1 A 11 11 VAL H H 11 8.926 8.809 0.117 1
1 112 . 15 1 1 A 11 11 VAL HA H 11 4.351 4.884 -0.533 1
1 120 . 15 1 1 A 11 11 VAL C C 11 172.010 174.798 -2.788 1
1 121 . 15 1 1 A 11 11 VAL CA C 11 60.857 59.627 1.230 1
1 122 . 15 1 1 A 11 11 VAL CB C 11 33.989 35.905 -1.916 1
1 125 . 15 1 1 A 11 11 VAL N N 11 119.765 120.914 -1.149 1
1 126 . 15 1 1 A 12 12 LYS H H 12 8.961 8.218 0.743 1
1 127 . 15 1 1 A 12 12 LYS HA H 12 4.510 4.259 0.251 1
1 136 . 15 1 1 A 12 12 LYS C C 12 175.625 177.044 -1.419 1
1 137 . 15 1 1 A 12 12 LYS CA C 12 56.422 56.820 -0.398 1
1 138 . 15 1 1 A 12 12 LYS CB C 12 32.726 32.512 0.214 1
1 142 . 15 1 1 A 12 12 LYS N N 12 127.967 125.832 2.135 1
1 143 . 15 1 1 A 13 13 VAL H H 13 8.522 8.586 -0.064 1
1 144 . 15 1 1 A 13 13 VAL HA H 13 4.518 3.880 0.638 1
1 152 . 15 1 1 A 13 13 VAL C C 13 176.284 176.525 -0.241 1
1 153 . 15 1 1 A 13 13 VAL CA C 13 61.492 66.114 -4.622 1
1 154 . 15 1 1 A 13 13 VAL CB C 13 32.089 31.925 0.164 1
1 157 . 15 1 1 A 13 13 VAL N N 13 118.593 125.432 -6.839 1
1 158 . 15 1 1 A 14 14 LYS H H 14 7.310 7.766 -0.456 1
1 159 . 15 1 1 A 14 14 LYS HA H 14 4.580 4.466 0.114 1
1 168 . 15 1 1 A 14 14 LYS C C 14 174.043 175.271 -1.228 1
1 169 . 15 1 1 A 14 14 LYS CA C 14 54.090 56.176 -2.086 1
1 170 . 15 1 1 A 14 14 LYS CB C 14 36.489 33.140 3.349 1
1 174 . 15 1 1 A 14 14 LYS N N 14 117.809 122.155 -4.346 1
1 175 . 15 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 15 1 1 A 15 15 GLY HA2 H 15 4.264 4.168 0.096 1
1 177 . 15 1 1 A 15 15 GLY HA3 H 15 3.845 4.168 -0.323 1
1 178 . 15 1 1 A 15 15 GLY C C 15 175.166 174.539 0.627 1
1 179 . 15 1 1 A 15 15 GLY CA C 15 43.993 45.598 -1.605 1
1 180 . 15 1 1 A 15 15 GLY N N 15 108.732 112.801 -4.069 1
1 181 . 15 1 1 A 16 16 ARG H H 16 8.618 8.975 -0.357 1
1 182 . 15 1 1 A 16 16 ARG HA H 16 4.082 3.968 0.114 1
1 189 . 15 1 1 A 16 16 ARG C C 16 174.254 178.196 -3.942 1
1 190 . 15 1 1 A 16 16 ARG CA C 16 57.950 59.254 -1.304 1
1 191 . 15 1 1 A 16 16 ARG CB C 16 29.776 30.132 -0.356 1
1 194 . 15 1 1 A 16 16 ARG N N 16 120.561 124.016 -3.455 1
1 195 . 15 1 1 A 17 17 GLU H H 17 8.935 7.958 0.977 1
1 196 . 15 1 1 A 17 17 GLU HA H 17 4.190 4.356 -0.166 1
1 201 . 15 1 1 A 17 17 GLU C C 17 177.426 175.842 1.584 1
1 202 . 15 1 1 A 17 17 GLU CA C 17 55.386 56.470 -1.084 1
1 203 . 15 1 1 A 17 17 GLU CB C 17 27.412 29.966 -2.554 1
1 205 . 15 1 1 A 17 17 GLU N N 17 115.930 116.625 -0.695 1
1 206 . 15 1 1 A 18 18 ALA H H 18 7.267 7.802 -0.535 1
1 207 . 15 1 1 A 18 18 ALA HA H 18 3.737 4.036 -0.299 1
1 211 . 15 1 1 A 18 18 ALA C C 18 174.969 177.959 -2.990 1
1 212 . 15 1 1 A 18 18 ALA CA C 18 53.272 53.324 -0.052 1
1 213 . 15 1 1 A 18 18 ALA CB C 18 17.382 17.035 0.347 1
1 214 . 15 1 1 A 18 18 ALA N N 18 120.485 121.069 -0.584 1
1 215 . 15 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 15 1 1 A 19 19 GLY HA2 H 19 4.680 3.815 0.865 1
1 217 . 15 1 1 A 19 19 GLY HA3 H 19 3.451 3.839 -0.388 1
1 218 . 15 1 1 A 19 19 GLY C C 19 178.386 173.403 4.983 1
1 219 . 15 1 1 A 19 19 GLY CA C 19 44.905 45.773 -0.868 1
1 220 . 15 1 1 A 19 19 GLY N N 19 112.194 104.951 7.243 1
1 221 . 15 1 1 A 20 20 SER H H 20 8.162 7.770 0.392 1
1 222 . 15 1 1 A 20 20 SER HA H 20 4.861 4.769 0.092 1
1 225 . 15 1 1 A 20 20 SER C C 20 173.441 172.775 0.666 1
1 226 . 15 1 1 A 20 20 SER CA C 20 58.253 57.142 1.111 1
1 227 . 15 1 1 A 20 20 SER CB C 20 64.447 63.832 0.615 1
1 228 . 15 1 1 A 20 20 SER N N 20 115.207 114.809 0.398 1
1 229 . 15 1 1 A 21 21 LYS H H 21 8.836 8.767 0.069 1
1 230 . 15 1 1 A 21 21 LYS HA H 21 5.369 5.156 0.213 1
1 239 . 15 1 1 A 21 21 LYS C C 21 172.859 175.456 -2.597 1
1 240 . 15 1 1 A 21 21 LYS CA C 21 55.508 54.969 0.539 1
1 241 . 15 1 1 A 21 21 LYS CB C 21 34.795 34.889 -0.094 1
1 245 . 15 1 1 A 21 21 LYS N N 21 121.269 126.846 -5.577 1
1 246 . 15 1 1 A 22 22 CYS H H 22 8.905 8.985 -0.080 1
1 247 . 15 1 1 A 22 22 CYS HA H 22 5.527 5.145 0.382 1
1 250 . 15 1 1 A 22 22 CYS C C 22 174.204 173.131 1.073 1
1 251 . 15 1 1 A 22 22 CYS CA C 22 55.584 57.916 -2.332 1
1 252 . 15 1 1 A 22 22 CYS CB C 22 30.941 32.689 -1.748 1
1 253 . 15 1 1 A 22 22 CYS N N 22 110.073 119.885 -9.812 1
1 254 . 15 1 1 A 23 23 VAL H H 23 9.325 8.821 0.504 1
1 255 . 15 1 1 A 23 23 VAL HA H 23 4.761 4.480 0.281 1
1 263 . 15 1 1 A 23 23 VAL C C 23 171.121 175.879 -4.758 1
1 264 . 15 1 1 A 23 23 VAL CA C 23 60.552 61.208 -0.656 1
1 265 . 15 1 1 A 23 23 VAL CB C 23 35.141 34.080 1.061 1
1 268 . 15 1 1 A 23 23 VAL N N 23 119.042 121.872 -2.830 1
1 269 . 15 1 1 A 24 24 ILE H H 24 8.239 8.836 -0.597 1
1 270 . 15 1 1 A 24 24 ILE HA H 24 4.239 4.131 0.108 1
1 280 . 15 1 1 A 24 24 ILE C C 24 175.805 176.846 -1.041 1
1 281 . 15 1 1 A 24 24 ILE CA C 24 62.552 61.533 1.019 1
1 282 . 15 1 1 A 24 24 ILE CB C 24 36.819 36.867 -0.048 1
1 286 . 15 1 1 A 24 24 ILE N N 24 124.259 126.648 -2.389 1
1 287 . 15 1 1 A 25 25 VAL H H 25 9.205 8.532 0.673 1
1 288 . 15 1 1 A 25 25 VAL HA H 25 4.689 4.236 0.453 1
1 296 . 15 1 1 A 25 25 VAL C C 25 175.650 175.439 0.211 1
1 297 . 15 1 1 A 25 25 VAL CA C 25 60.947 63.115 -2.168 1
1 298 . 15 1 1 A 25 25 VAL CB C 25 32.986 32.521 0.465 1
1 301 . 15 1 1 A 25 25 VAL N N 25 121.805 123.941 -2.136 1
1 302 . 15 1 1 A 26 26 ASP H H 26 8.103 7.251 0.852 1
1 303 . 15 1 1 A 26 26 ASP HA H 26 4.771 4.957 -0.186 1
1 306 . 15 1 1 A 26 26 ASP C C 26 174.343 173.630 0.713 1
1 307 . 15 1 1 A 26 26 ASP CA C 26 53.671 53.922 -0.251 1
1 308 . 15 1 1 A 26 26 ASP CB C 26 43.563 44.338 -0.775 1
1 309 . 15 1 1 A 26 26 ASP N N 26 118.459 119.947 -1.488 1
1 310 . 15 1 1 A 27 27 ILE H H 27 9.092 9.008 0.084 1
1 311 . 15 1 1 A 27 27 ILE HA H 27 4.273 4.477 -0.204 1
1 321 . 15 1 1 A 27 27 ILE C C 27 173.976 175.546 -1.570 1
1 322 . 15 1 1 A 27 27 ILE CA C 27 60.306 60.898 -0.592 1
1 323 . 15 1 1 A 27 27 ILE CB C 27 38.339 38.547 -0.208 1
1 327 . 15 1 1 A 27 27 ILE N N 27 124.375 123.877 0.498 1
1 328 . 15 1 1 A 28 28 ILE H H 28 8.055 8.846 -0.791 1
1 329 . 15 1 1 A 28 28 ILE HA H 28 3.986 4.080 -0.094 1
1 339 . 15 1 1 A 28 28 ILE C C 28 174.733 175.638 -0.905 1
1 340 . 15 1 1 A 28 28 ILE CA C 28 62.414 63.510 -1.096 1
1 341 . 15 1 1 A 28 28 ILE CB C 28 37.450 38.730 -1.280 1
1 345 . 15 1 1 A 28 28 ILE N N 28 127.525 129.265 -1.740 1
1 346 . 15 1 1 A 29 29 ASP H H 29 8.438 8.496 -0.058 1
1 347 . 15 1 1 A 29 29 ASP HA H 29 4.522 5.065 -0.543 1
1 350 . 15 1 1 A 29 29 ASP C C 29 175.289 175.552 -0.263 1
1 351 . 15 1 1 A 29 29 ASP CA C 29 53.316 52.100 1.216 1
1 352 . 15 1 1 A 29 29 ASP CB C 29 39.450 43.557 -4.107 1
1 353 . 15 1 1 A 29 29 ASP N N 29 118.886 118.879 0.007 1
1 354 . 15 1 1 A 30 30 ASP H H 30 8.140 8.742 -0.602 1
1 355 . 15 1 1 A 30 30 ASP HA H 30 4.375 4.516 -0.141 1
1 358 . 15 1 1 A 30 30 ASP C C 30 174.332 177.449 -3.117 1
1 359 . 15 1 1 A 30 30 ASP CA C 30 56.171 56.286 -0.115 1
1 360 . 15 1 1 A 30 30 ASP CB C 30 40.302 41.027 -0.725 1
1 361 . 15 1 1 A 30 30 ASP N N 30 112.219 123.926 -11.707 1
1 362 . 15 1 1 A 31 31 ASN H H 31 8.866 8.173 0.693 1
1 363 . 15 1 1 A 31 31 ASN HA H 31 4.805 4.765 0.040 1
1 366 . 15 1 1 A 31 31 ASN C C 31 175.926 174.442 1.484 1
1 367 . 15 1 1 A 31 31 ASN CA C 31 54.015 54.063 -0.048 1
1 368 . 15 1 1 A 31 31 ASN CB C 31 42.366 40.050 2.316 1
1 369 . 15 1 1 A 31 31 ASN N N 31 114.650 116.355 -1.705 1
1 370 . 15 1 1 A 32 32 PHE H H 32 8.481 7.892 0.589 1
1 371 . 15 1 1 A 32 32 PHE HA H 32 5.279 5.203 0.076 1
1 376 . 15 1 1 A 32 32 PHE C C 32 173.451 175.325 -1.874 1
1 377 . 15 1 1 A 32 32 PHE CA C 32 57.629 56.489 1.140 1
1 378 . 15 1 1 A 32 32 PHE CB C 32 42.418 41.839 0.579 1
1 379 . 15 1 1 A 32 32 PHE N N 32 117.648 116.209 1.439 1
1 380 . 15 1 1 A 33 33 VAL H H 33 8.680 9.366 -0.686 1
1 381 . 15 1 1 A 33 33 VAL HA H 33 4.720 4.977 -0.257 1
1 389 . 15 1 1 A 33 33 VAL C C 33 174.458 173.550 0.908 1
1 390 . 15 1 1 A 33 33 VAL CA C 33 58.331 59.323 -0.992 1
1 391 . 15 1 1 A 33 33 VAL CB C 33 34.410 35.780 -1.370 1
1 394 . 15 1 1 A 33 33 VAL N N 33 110.814 116.617 -5.803 1
1 395 . 15 1 1 A 34 34 LEU H H 34 8.696 8.949 -0.253 1
1 396 . 15 1 1 A 34 34 LEU HA H 34 4.871 5.217 -0.346 1
1 406 . 15 1 1 A 34 34 LEU C C 34 172.716 175.365 -2.649 1
1 407 . 15 1 1 A 34 34 LEU CA C 34 53.776 53.545 0.231 1
1 408 . 15 1 1 A 34 34 LEU CB C 34 44.582 44.455 0.127 1
1 412 . 15 1 1 A 34 34 LEU N N 34 123.160 124.725 -1.565 1
1 413 . 15 1 1 A 35 35 VAL H H 35 8.460 9.125 -0.665 1
1 414 . 15 1 1 A 35 35 VAL HA H 35 5.674 5.298 0.376 1
1 422 . 15 1 1 A 35 35 VAL C C 35 176.009 174.446 1.563 1
1 423 . 15 1 1 A 35 35 VAL CA C 35 57.423 60.068 -2.645 1
1 424 . 15 1 1 A 35 35 VAL CB C 35 35.541 34.296 1.245 1
1 427 . 15 1 1 A 35 35 VAL N N 35 119.184 121.396 -2.212 1
1 428 . 15 1 1 A 36 36 THR H H 36 8.362 8.398 -0.036 1
1 429 . 15 1 1 A 36 36 THR HA H 36 4.535 4.745 -0.210 1
1 434 . 15 1 1 A 36 36 THR C C 36 173.498 172.146 1.352 1
1 435 . 15 1 1 A 36 36 THR CA C 36 59.643 60.013 -0.370 1
1 436 . 15 1 1 A 36 36 THR CB C 36 70.439 70.258 0.181 1
1 438 . 15 1 1 A 36 36 THR N N 36 109.151 118.176 -9.025 1
1 439 . 15 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 15 1 1 A 37 37 GLY C C 37 172.460 171.903 0.557 1
1 441 . 15 1 1 A 37 37 GLY CA C 37 51.421 44.235 7.186 1
1 442 . 15 1 1 A 37 37 GLY N N 37 115.474 110.905 4.569 1
1 443 . 15 1 1 A 38 38 PRO HA H 38 5.235 4.747 0.488 1
1 450 . 15 1 1 A 38 38 PRO CA C 38 60.459 63.404 -2.945 1
1 451 . 15 1 1 A 38 38 PRO CB C 38 35.517 32.414 3.103 1
1 454 . 15 1 1 A 39 39 LYS H H 39 9.463 9.591 -0.128 1
1 455 . 15 1 1 A 39 39 LYS HA H 39 3.545 3.900 -0.355 1
1 464 . 15 1 1 A 39 39 LYS C C 39 179.019 177.822 1.197 1
1 465 . 15 1 1 A 39 39 LYS CA C 39 60.344 59.489 0.855 1
1 466 . 15 1 1 A 39 39 LYS CB C 39 31.826 32.420 -0.594 1
1 470 . 15 1 1 A 39 39 LYS N N 39 127.869 125.024 2.845 1
1 471 . 15 1 1 A 40 40 ASP H H 40 9.035 8.193 0.842 1
1 472 . 15 1 1 A 40 40 ASP HA H 40 4.375 4.488 -0.113 1
1 475 . 15 1 1 A 40 40 ASP C C 40 177.615 176.994 0.621 1
1 476 . 15 1 1 A 40 40 ASP CA C 40 55.080 56.279 -1.199 1
1 477 . 15 1 1 A 40 40 ASP CB C 40 39.209 40.785 -1.576 1
1 478 . 15 1 1 A 40 40 ASP N N 40 115.744 119.058 -3.314 1
1 479 . 15 1 1 A 41 41 ILE H H 41 7.739 7.465 0.274 1
1 480 . 15 1 1 A 41 41 ILE HA H 41 4.218 3.999 0.219 1
1 490 . 15 1 1 A 41 41 ILE C C 41 174.826 177.685 -2.859 1
1 491 . 15 1 1 A 41 41 ILE CA C 41 61.664 63.272 -1.608 1
1 492 . 15 1 1 A 41 41 ILE CB C 41 37.453 39.297 -1.844 1
1 496 . 15 1 1 A 41 41 ILE N N 41 116.447 117.477 -1.030 1
1 497 . 15 1 1 A 42 42 THR H H 42 7.766 8.445 -0.679 1
1 498 . 15 1 1 A 42 42 THR HA H 42 4.734 4.428 0.306 1
1 503 . 15 1 1 A 42 42 THR C C 42 175.827 175.520 0.307 1
1 504 . 15 1 1 A 42 42 THR CA C 42 60.110 63.549 -3.439 1
1 505 . 15 1 1 A 42 42 THR CB C 42 71.791 70.317 1.474 1
1 507 . 15 1 1 A 42 42 THR N N 42 104.054 110.952 -6.898 1
1 508 . 15 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 15 1 1 A 43 43 GLY HA2 H 43 4.461 3.968 0.493 1
1 510 . 15 1 1 A 43 43 GLY HA3 H 43 3.836 3.970 -0.134 1
1 511 . 15 1 1 A 43 43 GLY C C 43 175.208 174.477 0.731 1
1 512 . 15 1 1 A 43 43 GLY CA C 43 44.826 46.788 -1.962 1
1 513 . 15 1 1 A 43 43 GLY N N 43 109.006 109.096 -0.090 1
1 514 . 15 1 1 A 44 44 VAL H H 44 7.289 7.300 -0.011 1
1 515 . 15 1 1 A 44 44 VAL HA H 44 3.945 4.365 -0.420 1
1 523 . 15 1 1 A 44 44 VAL C C 44 173.149 175.544 -2.395 1
1 524 . 15 1 1 A 44 44 VAL CA C 44 62.902 61.365 1.537 1
1 525 . 15 1 1 A 44 44 VAL CB C 44 31.715 33.233 -1.518 1
1 528 . 15 1 1 A 44 44 VAL N N 44 120.903 119.984 0.919 1
1 529 . 15 1 1 A 45 45 LYS H H 45 8.308 8.553 -0.245 1
1 530 . 15 1 1 A 45 45 LYS HA H 45 4.190 4.368 -0.178 1
1 539 . 15 1 1 A 45 45 LYS C C 45 175.177 175.949 -0.772 1
1 540 . 15 1 1 A 45 45 LYS CA C 45 56.355 56.182 0.173 1
1 541 . 15 1 1 A 45 45 LYS CB C 45 33.385 33.379 0.006 1
1 545 . 15 1 1 A 45 45 LYS N N 45 128.406 129.018 -0.612 1
1 546 . 15 1 1 A 46 46 ARG H H 46 8.080 8.268 -0.188 1
1 547 . 15 1 1 A 46 46 ARG HA H 46 5.720 4.578 1.142 1
1 554 . 15 1 1 A 46 46 ARG C C 46 173.780 175.640 -1.860 1
1 555 . 15 1 1 A 46 46 ARG CA C 46 54.888 56.126 -1.238 1
1 556 . 15 1 1 A 46 46 ARG CB C 46 29.630 30.802 -1.172 1
1 559 . 15 1 1 A 46 46 ARG N N 46 120.129 123.924 -3.795 1
1 560 . 15 1 1 A 47 47 ARG H H 47 8.452 8.934 -0.482 1
1 561 . 15 1 1 A 47 47 ARG HA H 47 4.732 4.894 -0.162 1
1 568 . 15 1 1 A 47 47 ARG C C 47 176.138 175.941 0.197 1
1 569 . 15 1 1 A 47 47 ARG CA C 47 54.319 54.029 0.290 1
1 570 . 15 1 1 A 47 47 ARG CB C 47 33.746 34.475 -0.729 1
1 573 . 15 1 1 A 47 47 ARG N N 47 126.780 120.225 6.555 1
1 574 . 15 1 1 A 48 48 ARG H H 48 8.546 8.279 0.267 1
1 575 . 15 1 1 A 48 48 ARG HA H 48 5.111 4.593 0.518 1
1 582 . 15 1 1 A 48 48 ARG C C 48 174.339 175.781 -1.442 1
1 583 . 15 1 1 A 48 48 ARG CA C 48 55.524 56.044 -0.520 1
1 584 . 15 1 1 A 48 48 ARG CB C 48 31.132 30.658 0.474 1
1 587 . 15 1 1 A 48 48 ARG N N 48 121.931 121.658 0.273 1
1 588 . 15 1 1 A 49 49 VAL H H 49 9.485 8.651 0.834 1
1 589 . 15 1 1 A 49 49 VAL HA H 49 4.651 4.809 -0.158 1
1 597 . 15 1 1 A 49 49 VAL C C 49 176.112 175.560 0.552 1
1 598 . 15 1 1 A 49 49 VAL CA C 49 60.040 61.202 -1.162 1
1 599 . 15 1 1 A 49 49 VAL CB C 49 36.427 34.554 1.873 1
1 602 . 15 1 1 A 49 49 VAL N N 49 122.891 125.140 -2.249 1
1 603 . 15 1 1 A 50 50 ASN H H 50 8.569 8.624 -0.055 1
1 604 . 15 1 1 A 50 50 ASN HA H 50 4.213 5.119 -0.906 1
1 607 . 15 1 1 A 50 50 ASN C C 50 173.258 177.066 -3.808 1
1 608 . 15 1 1 A 50 50 ASN CA C 50 52.732 52.012 0.720 1
1 609 . 15 1 1 A 50 50 ASN CB C 50 38.173 39.412 -1.239 1
1 610 . 15 1 1 A 50 50 ASN N N 50 125.736 123.309 2.427 1
1 611 . 15 1 1 A 51 51 ILE H H 51 8.601 8.203 0.398 1
1 612 . 15 1 1 A 51 51 ILE HA H 51 3.632 4.103 -0.471 1
1 622 . 15 1 1 A 51 51 ILE C C 51 176.785 175.734 1.051 1
1 623 . 15 1 1 A 51 51 ILE CA C 51 65.046 62.307 2.739 1
1 624 . 15 1 1 A 51 51 ILE CB C 51 38.532 37.362 1.170 1
1 628 . 15 1 1 A 51 51 ILE N N 51 126.454 116.681 9.773 1
1 629 . 15 1 1 A 52 52 LEU H H 52 8.448 7.596 0.852 1
1 630 . 15 1 1 A 52 52 LEU HA H 52 4.290 4.110 0.180 1
1 640 . 15 1 1 A 52 52 LEU C C 52 176.765 177.988 -1.223 1
1 641 . 15 1 1 A 52 52 LEU CA C 52 55.880 56.342 -0.462 1
1 642 . 15 1 1 A 52 52 LEU CB C 52 40.983 43.002 -2.019 1
1 646 . 15 1 1 A 52 52 LEU N N 52 118.365 121.349 -2.984 1
1 647 . 15 1 1 A 53 53 HIS H H 53 8.358 7.642 0.716 1
1 648 . 15 1 1 A 53 53 HIS HA H 53 4.621 4.761 -0.140 1
1 651 . 15 1 1 A 53 53 HIS C C 53 178.018 174.315 3.703 1
1 652 . 15 1 1 A 53 53 HIS CA C 53 53.996 55.167 -1.171 1
1 653 . 15 1 1 A 53 53 HIS CB C 53 30.306 29.770 0.536 1
1 654 . 15 1 1 A 53 53 HIS N N 53 116.672 113.491 3.181 1
1 655 . 15 1 1 A 54 54 LEU H H 54 7.693 7.355 0.338 1
1 656 . 15 1 1 A 54 54 LEU HA H 54 5.222 4.906 0.316 1
1 666 . 15 1 1 A 54 54 LEU C C 54 173.609 174.388 -0.779 1
1 667 . 15 1 1 A 54 54 LEU CA C 54 52.932 54.067 -1.135 1
1 668 . 15 1 1 A 54 54 LEU CB C 54 45.943 46.138 -0.195 1
1 672 . 15 1 1 A 54 54 LEU N N 54 119.311 120.281 -0.970 1
1 673 . 15 1 1 A 55 55 GLU H H 55 9.073 8.444 0.629 1
1 674 . 15 1 1 A 55 55 GLU C C 55 175.102 173.981 1.121 1
1 675 . 15 1 1 A 55 55 GLU CA C 55 52.073 52.767 -0.694 1
1 676 . 15 1 1 A 55 55 GLU CB C 55 31.958 31.491 0.467 1
1 677 . 15 1 1 A 55 55 GLU N N 55 120.139 125.543 -5.404 1
1 678 . 15 1 1 A 56 56 PRO HA H 56 4.903 4.698 0.205 1
1 685 . 15 1 1 A 56 56 PRO CA C 56 63.121 62.260 0.861 1
1 686 . 15 1 1 A 56 56 PRO CB C 56 32.274 32.718 -0.444 1
1 689 . 15 1 1 A 57 57 THR H H 57 8.502 9.225 -0.723 1
1 690 . 15 1 1 A 57 57 THR HA H 57 4.932 4.646 0.286 1
1 695 . 15 1 1 A 57 57 THR C C 57 175.894 175.848 0.046 1
1 696 . 15 1 1 A 57 57 THR CA C 57 60.602 62.107 -1.505 1
1 697 . 15 1 1 A 57 57 THR CB C 57 71.821 69.893 1.928 1
1 699 . 15 1 1 A 57 57 THR N N 57 113.388 116.807 -3.419 1
1 700 . 15 1 1 A 58 58 ASP H H 58 8.605 8.588 0.017 1
1 701 . 15 1 1 A 58 58 ASP HA H 58 4.445 4.432 0.013 1
1 704 . 15 1 1 A 58 58 ASP C C 58 173.673 176.602 -2.929 1
1 705 . 15 1 1 A 58 58 ASP CA C 58 53.743 57.010 -3.267 1
1 706 . 15 1 1 A 58 58 ASP CB C 58 39.622 40.975 -1.353 1
1 707 . 15 1 1 A 58 58 ASP N N 58 115.340 122.879 -7.539 1
1 708 . 15 1 1 A 59 59 LYS H H 59 8.544 7.757 0.787 1
1 709 . 15 1 1 A 59 59 LYS HA H 59 4.646 4.531 0.115 1
1 718 . 15 1 1 A 59 59 LYS C C 59 174.972 175.583 -0.611 1
1 719 . 15 1 1 A 59 59 LYS CA C 59 54.336 55.889 -1.553 1
1 720 . 15 1 1 A 59 59 LYS CB C 59 34.626 33.790 0.836 1
1 724 . 15 1 1 A 59 59 LYS N N 59 119.488 117.417 2.071 1
1 725 . 15 1 1 A 60 60 LYS H H 60 8.227 8.550 -0.323 1
1 726 . 15 1 1 A 60 60 LYS HA H 60 4.999 4.886 0.113 1
1 735 . 15 1 1 A 60 60 LYS C C 60 174.256 174.815 -0.559 1
1 736 . 15 1 1 A 60 60 LYS CA C 60 54.465 55.361 -0.896 1
1 737 . 15 1 1 A 60 60 LYS CB C 60 36.153 36.165 -0.012 1
1 741 . 15 1 1 A 60 60 LYS N N 60 121.112 122.723 -1.611 1
1 742 . 15 1 1 A 61 61 ILE H H 61 8.527 8.954 -0.427 1
1 743 . 15 1 1 A 61 61 ILE HA H 61 4.724 4.777 -0.053 1
1 753 . 15 1 1 A 61 61 ILE C C 61 174.330 174.057 0.273 1
1 754 . 15 1 1 A 61 61 ILE CA C 61 58.831 60.099 -1.268 1
1 755 . 15 1 1 A 61 61 ILE CB C 61 41.357 39.262 2.095 1
1 759 . 15 1 1 A 61 61 ILE N N 61 116.027 122.489 -6.462 1
1 760 . 15 1 1 A 62 62 ASP H H 62 8.513 8.931 -0.418 1
1 761 . 15 1 1 A 62 62 ASP HA H 62 4.732 4.922 -0.190 1
1 764 . 15 1 1 A 62 62 ASP C C 62 174.224 175.741 -1.517 1
1 765 . 15 1 1 A 62 62 ASP CA C 62 53.163 53.627 -0.464 1
1 766 . 15 1 1 A 62 62 ASP CB C 62 39.686 40.962 -1.276 1
1 767 . 15 1 1 A 62 62 ASP N N 62 121.643 127.096 -5.453 1
1 768 . 15 1 1 A 63 63 ILE H H 63 7.389 8.737 -1.348 1
1 769 . 15 1 1 A 63 63 ILE HA H 63 4.641 5.014 -0.373 1
1 779 . 15 1 1 A 63 63 ILE C C 63 174.484 174.866 -0.382 1
1 780 . 15 1 1 A 63 63 ILE CA C 63 58.244 58.406 -0.162 1
1 781 . 15 1 1 A 63 63 ILE CB C 63 41.811 41.775 0.036 1
1 785 . 15 1 1 A 63 63 ILE N N 63 114.509 120.758 -6.249 1
1 786 . 15 1 1 A 64 64 GLN H H 64 8.529 8.188 0.341 1
1 787 . 15 1 1 A 64 64 GLN HA H 64 4.390 4.284 0.106 1
1 792 . 15 1 1 A 64 64 GLN C C 64 174.409 175.364 -0.955 1
1 793 . 15 1 1 A 64 64 GLN CA C 64 53.860 55.663 -1.803 1
1 794 . 15 1 1 A 64 64 GLN CB C 64 30.086 29.185 0.901 1
1 796 . 15 1 1 A 64 64 GLN N N 64 119.145 121.182 -2.037 1
1 797 . 15 1 1 A 65 65 LYS H H 65 8.323 8.662 -0.339 1
1 798 . 15 1 1 A 65 65 LYS HA H 65 4.132 3.947 0.185 1
1 807 . 15 1 1 A 65 65 LYS C C 65 174.920 177.461 -2.541 1
1 808 . 15 1 1 A 65 65 LYS CA C 65 57.603 58.133 -0.530 1
1 809 . 15 1 1 A 65 65 LYS CB C 65 32.341 32.146 0.195 1
1 813 . 15 1 1 A 65 65 LYS N N 65 119.780 123.520 -3.740 1
1 814 . 15 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 15 1 1 A 66 66 GLY HA2 H 66 4.093 3.970 0.123 1
1 816 . 15 1 1 A 66 66 GLY HA3 H 66 3.297 3.972 -0.675 1
1 817 . 15 1 1 A 66 66 GLY C C 66 177.892 174.988 2.904 1
1 818 . 15 1 1 A 66 66 GLY CA C 66 44.953 46.260 -1.307 1
1 819 . 15 1 1 A 66 66 GLY N N 66 112.449 114.704 -2.255 1
1 820 . 15 1 1 A 67 67 ALA H H 67 7.545 8.293 -0.748 1
1 821 . 15 1 1 A 67 67 ALA HA H 67 4.081 4.373 -0.292 1
1 825 . 15 1 1 A 67 67 ALA C C 67 173.517 177.254 -3.737 1
1 826 . 15 1 1 A 67 67 ALA CA C 67 52.802 52.098 0.704 1
1 827 . 15 1 1 A 67 67 ALA CB C 67 20.424 19.225 1.199 1
1 828 . 15 1 1 A 67 67 ALA N N 67 121.516 124.075 -2.559 1
1 829 . 15 1 1 A 68 68 SER H H 68 8.904 9.054 -0.150 1
1 830 . 15 1 1 A 68 68 SER HA H 68 4.261 4.588 -0.327 1
1 833 . 15 1 1 A 68 68 SER C C 68 177.019 175.363 1.656 1
1 834 . 15 1 1 A 68 68 SER CA C 68 57.321 57.514 -0.193 1
1 835 . 15 1 1 A 68 68 SER CB C 68 65.064 64.352 0.712 1
1 836 . 15 1 1 A 68 68 SER N N 68 119.470 119.340 0.130 1
1 837 . 15 1 1 A 69 69 ASP H H 69 9.379 9.009 0.370 1
1 838 . 15 1 1 A 69 69 ASP HA H 69 4.184 4.277 -0.093 1
1 841 . 15 1 1 A 69 69 ASP C C 69 173.831 177.942 -4.111 1
1 842 . 15 1 1 A 69 69 ASP CA C 69 57.843 57.779 0.064 1
1 843 . 15 1 1 A 69 69 ASP CB C 69 39.367 41.083 -1.716 1
1 844 . 15 1 1 A 69 69 ASP N N 69 122.205 124.751 -2.546 1
1 845 . 15 1 1 A 70 70 GLU H H 70 8.454 8.466 -0.012 1
1 846 . 15 1 1 A 70 70 GLU HA H 70 3.966 4.014 -0.048 1
1 851 . 15 1 1 A 70 70 GLU C C 70 177.979 178.992 -1.013 1
1 852 . 15 1 1 A 70 70 GLU CA C 70 59.987 59.690 0.297 1
1 853 . 15 1 1 A 70 70 GLU CB C 70 28.804 29.101 -0.297 1
1 855 . 15 1 1 A 70 70 GLU N N 70 118.426 118.863 -0.437 1
1 856 . 15 1 1 A 71 71 GLU H H 71 7.835 8.118 -0.283 1
1 857 . 15 1 1 A 71 71 GLU HA H 71 4.050 4.087 -0.037 1
1 862 . 15 1 1 A 71 71 GLU C C 71 178.486 179.207 -0.721 1
1 863 . 15 1 1 A 71 71 GLU CA C 71 58.998 58.922 0.076 1
1 864 . 15 1 1 A 71 71 GLU CB C 71 29.068 30.001 -0.933 1
1 866 . 15 1 1 A 71 71 GLU N N 71 122.166 119.375 2.791 1
1 867 . 15 1 1 A 72 72 VAL H H 72 8.387 8.188 0.199 1
1 868 . 15 1 1 A 72 72 VAL HA H 72 3.295 3.553 -0.258 1
1 876 . 15 1 1 A 72 72 VAL C C 72 178.603 178.033 0.570 1
1 877 . 15 1 1 A 72 72 VAL CA C 72 66.989 67.001 -0.012 1
1 878 . 15 1 1 A 72 72 VAL CB C 72 31.242 31.450 -0.208 1
1 881 . 15 1 1 A 72 72 VAL N N 72 118.871 119.062 -0.191 1
1 882 . 15 1 1 A 73 73 LYS H H 73 8.619 7.976 0.643 1
1 883 . 15 1 1 A 73 73 LYS HA H 73 3.734 3.966 -0.232 1
1 892 . 15 1 1 A 73 73 LYS C C 73 177.118 178.607 -1.489 1
1 893 . 15 1 1 A 73 73 LYS CA C 73 60.695 58.964 1.731 1
1 894 . 15 1 1 A 73 73 LYS CB C 73 32.320 32.212 0.108 1
1 898 . 15 1 1 A 73 73 LYS N N 73 118.351 119.952 -1.601 1
1 899 . 15 1 1 A 74 74 LYS H H 74 7.886 7.787 0.099 1
1 900 . 15 1 1 A 74 74 LYS HA H 74 4.133 4.023 0.110 1
1 909 . 15 1 1 A 74 74 LYS C C 74 178.306 179.491 -1.185 1
1 910 . 15 1 1 A 74 74 LYS CA C 74 58.954 59.894 -0.940 1
1 911 . 15 1 1 A 74 74 LYS CB C 74 31.974 32.309 -0.335 1
1 915 . 15 1 1 A 74 74 LYS N N 74 118.808 118.187 0.621 1
1 916 . 15 1 1 A 75 75 LYS H H 75 8.118 7.741 0.377 1
1 917 . 15 1 1 A 75 75 LYS HA H 75 4.228 4.060 0.168 1
1 926 . 15 1 1 A 75 75 LYS C C 75 178.795 179.673 -0.878 1
1 927 . 15 1 1 A 75 75 LYS CA C 75 57.158 58.880 -1.722 1
1 928 . 15 1 1 A 75 75 LYS CB C 75 31.382 31.705 -0.323 1
1 932 . 15 1 1 A 75 75 LYS N N 75 118.374 118.995 -0.621 1
1 933 . 15 1 1 A 76 76 LEU H H 76 8.778 8.232 0.546 1
1 934 . 15 1 1 A 76 76 LEU HA H 76 3.931 4.128 -0.197 1
1 944 . 15 1 1 A 76 76 LEU C C 76 180.241 178.180 2.061 1
1 945 . 15 1 1 A 76 76 LEU CA C 76 58.203 57.681 0.522 1
1 946 . 15 1 1 A 76 76 LEU CB C 76 42.015 41.929 0.086 1
1 950 . 15 1 1 A 76 76 LEU N N 76 121.253 122.078 -0.825 1
1 951 . 15 1 1 A 77 77 GLU H H 77 7.951 8.085 -0.134 1
1 952 . 15 1 1 A 77 77 GLU HA H 77 4.227 3.922 0.305 1
1 957 . 15 1 1 A 77 77 GLU C C 77 178.403 179.210 -0.807 1
1 958 . 15 1 1 A 77 77 GLU CA C 77 58.892 59.765 -0.873 1
1 959 . 15 1 1 A 77 77 GLU CB C 77 28.925 28.894 0.031 1
1 961 . 15 1 1 A 77 77 GLU N N 77 119.306 119.755 -0.449 1
1 962 . 15 1 1 A 78 78 GLU H H 78 8.595 8.141 0.454 1
1 963 . 15 1 1 A 78 78 GLU HA H 78 4.099 4.033 0.066 1
1 968 . 15 1 1 A 78 78 GLU C C 78 180.586 178.916 1.670 1
1 969 . 15 1 1 A 78 78 GLU CA C 78 58.850 59.389 -0.539 1
1 970 . 15 1 1 A 78 78 GLU CB C 78 29.878 29.439 0.439 1
1 972 . 15 1 1 A 78 78 GLU N N 78 120.814 120.128 0.686 1
1 973 . 15 1 1 A 79 79 SER H H 79 7.519 7.621 -0.102 1
1 974 . 15 1 1 A 79 79 SER HA H 79 4.592 4.458 0.134 1
1 977 . 15 1 1 A 79 79 SER C C 79 177.761 174.180 3.581 1
1 978 . 15 1 1 A 79 79 SER CA C 79 58.324 60.154 -1.830 1
1 979 . 15 1 1 A 79 79 SER CB C 79 63.796 63.696 0.100 1
1 980 . 15 1 1 A 79 79 SER N N 79 110.823 114.163 -3.340 1
1 981 . 15 1 1 A 80 80 ASN H H 80 8.126 7.723 0.403 1
1 982 . 15 1 1 A 80 80 ASN HA H 80 4.700 4.548 0.152 1
1 985 . 15 1 1 A 80 80 ASN C C 80 172.562 175.343 -2.781 1
1 986 . 15 1 1 A 80 80 ASN CA C 80 53.603 54.560 -0.957 1
1 987 . 15 1 1 A 80 80 ASN CB C 80 36.754 36.791 -0.037 1
1 988 . 15 1 1 A 80 80 ASN N N 80 117.027 117.127 -0.100 1
1 989 . 15 1 1 A 81 81 LEU H H 81 8.526 8.165 0.361 1
1 990 . 15 1 1 A 81 81 LEU HA H 81 4.767 4.579 0.188 1
1 1000 . 15 1 1 A 81 81 LEU C C 81 175.743 177.503 -1.760 1
1 1001 . 15 1 1 A 81 81 LEU CA C 81 54.008 54.433 -0.425 1
1 1002 . 15 1 1 A 81 81 LEU CB C 81 45.026 41.529 3.497 1
1 1006 . 15 1 1 A 81 81 LEU N N 81 114.910 117.909 -2.999 1
1 1007 . 15 1 1 A 82 82 THR H H 82 7.848 7.751 0.097 1
1 1008 . 15 1 1 A 82 82 THR HA H 82 4.117 3.917 0.200 1
1 1013 . 15 1 1 A 82 82 THR C C 82 176.676 176.128 0.548 1
1 1014 . 15 1 1 A 82 82 THR CA C 82 67.474 67.090 0.384 1
1 1015 . 15 1 1 A 82 82 THR CB C 82 68.235 68.159 0.076 1
1 1017 . 15 1 1 A 82 82 THR N N 82 117.802 114.714 3.088 1
1 1018 . 15 1 1 A 83 83 GLU H H 83 8.335 8.206 0.129 1
1 1019 . 15 1 1 A 83 83 GLU HA H 83 3.915 4.010 -0.095 1
1 1024 . 15 1 1 A 83 83 GLU C C 83 175.177 178.857 -3.680 1
1 1025 . 15 1 1 A 83 83 GLU CA C 83 59.541 59.953 -0.412 1
1 1026 . 15 1 1 A 83 83 GLU CB C 83 27.819 29.209 -1.390 1
1 1028 . 15 1 1 A 83 83 GLU N N 83 118.314 120.315 -2.001 1
1 1029 . 15 1 1 A 84 84 TYR H H 84 8.043 8.451 -0.408 1
1 1030 . 15 1 1 A 84 84 TYR HA H 84 4.111 4.112 -0.001 1
1 1037 . 15 1 1 A 84 84 TYR C C 84 179.081 177.740 1.341 1
1 1038 . 15 1 1 A 84 84 TYR CA C 84 60.788 61.180 -0.392 1
1 1039 . 15 1 1 A 84 84 TYR CB C 84 37.753 38.825 -1.072 1
1 1040 . 15 1 1 A 84 84 TYR N N 84 121.386 121.899 -0.513 1
1 1041 . 15 1 1 A 85 85 MET H H 85 8.101 7.944 0.157 1
1 1042 . 15 1 1 A 85 85 MET HA H 85 4.259 3.995 0.264 1
1 1047 . 15 1 1 A 85 85 MET C C 85 178.628 177.983 0.645 1
1 1048 . 15 1 1 A 85 85 MET CA C 85 55.244 59.169 -3.925 1
1 1049 . 15 1 1 A 85 85 MET CB C 85 29.597 33.306 -3.709 1
1 1051 . 15 1 1 A 85 85 MET N N 85 116.695 118.013 -1.318 1
1 1052 . 15 1 1 A 86 86 LYS H H 86 7.301 7.745 -0.444 1
1 1053 . 15 1 1 A 86 86 LYS HA H 86 3.937 4.032 -0.095 1
1 1062 . 15 1 1 A 86 86 LYS C C 86 175.934 176.943 -1.009 1
1 1063 . 15 1 1 A 86 86 LYS CA C 86 57.318 58.458 -1.140 1
1 1064 . 15 1 1 A 86 86 LYS CB C 86 32.956 32.582 0.374 1
1 1068 . 15 1 1 A 86 86 LYS N N 86 114.957 118.375 -3.418 1
1 1069 . 15 1 1 A 87 87 GLU H H 87 7.031 8.001 -0.970 1
1 1070 . 15 1 1 A 87 87 GLU HA H 87 4.185 3.908 0.277 1
1 1075 . 15 1 1 A 87 87 GLU C C 87 176.247 176.802 -0.555 1
1 1076 . 15 1 1 A 87 87 GLU CA C 87 55.780 57.494 -1.714 1
1 1077 . 15 1 1 A 87 87 GLU CB C 87 29.358 29.798 -0.440 1
1 1079 . 15 1 1 A 87 87 GLU N N 87 119.315 119.934 -0.619 1
1 1080 . 15 1 1 A 88 88 LYS H H 88 8.466 8.850 -0.384 1
1 1081 . 15 1 1 A 88 88 LYS HA H 88 4.568 3.842 0.726 1
1 1090 . 15 1 1 A 88 88 LYS C C 88 175.539 174.977 0.562 1
1 1091 . 15 1 1 A 88 88 LYS CA C 88 55.271 56.835 -1.564 1
1 1092 . 15 1 1 A 88 88 LYS CB C 88 33.457 30.709 2.748 1
1 1096 . 15 1 1 A 88 88 LYS N N 88 127.402 121.142 6.260 1
1 1097 . 15 1 1 A 89 89 ILE H H 89 8.752 7.816 0.936 1
1 1098 . 15 1 1 A 89 89 ILE HA H 89 4.249 4.833 -0.584 1
1 1108 . 15 1 1 A 89 89 ILE C C 89 176.471 173.105 3.366 1
1 1109 . 15 1 1 A 89 89 ILE CA C 89 59.014 58.919 0.095 1
1 1110 . 15 1 1 A 89 89 ILE CB C 89 38.437 42.165 -3.728 1
1 1114 . 15 1 1 A 89 89 ILE N N 89 122.906 119.937 2.969 1
1 1115 . 15 1 1 A 90 90 LYS H H 90 8.394 8.358 0.036 1
1 1116 . 15 1 1 A 90 90 LYS HA H 90 4.284 4.520 -0.236 1
1 1125 . 15 1 1 A 90 90 LYS C C 90 175.276 174.941 0.335 1
1 1126 . 15 1 1 A 90 90 LYS CA C 90 55.821 55.406 0.415 1
1 1127 . 15 1 1 A 90 90 LYS CB C 90 31.860 32.399 -0.539 1
1 1131 . 15 1 1 A 90 90 LYS N N 90 125.894 127.845 -1.951 1
1 1132 . 15 1 1 A 91 91 ILE H H 91 8.141 8.600 -0.459 1
1 1133 . 15 1 1 A 91 91 ILE HA H 91 4.165 4.463 -0.298 1
1 1143 . 15 1 1 A 91 91 ILE C C 91 175.506 174.637 0.869 1
1 1144 . 15 1 1 A 91 91 ILE CA C 91 59.516 61.313 -1.797 1
1 1145 . 15 1 1 A 91 91 ILE CB C 91 37.991 36.724 1.267 1
1 1149 . 15 1 1 A 91 91 ILE N N 91 124.934 127.535 -2.601 1
1 1150 . 15 1 1 A 92 92 ARG H H 92 8.488 8.853 -0.365 1
1 1151 . 15 1 1 A 92 92 ARG HA H 92 4.318 5.078 -0.760 1
1 1158 . 15 1 1 A 92 92 ARG C C 92 175.508 174.236 1.272 1
1 1159 . 15 1 1 A 92 92 ARG CA C 92 55.708 54.742 0.966 1
1 1160 . 15 1 1 A 92 92 ARG CB C 92 30.394 33.278 -2.884 1
1 1163 . 15 1 1 A 92 92 ARG N N 92 126.033 130.272 -4.239 1
1 1164 . 15 1 1 A 93 93 MET H H 93 8.362 8.832 -0.470 1
1 1165 . 15 1 1 A 93 93 MET C C 93 175.367 175.472 -0.105 1
1 1166 . 15 1 1 A 93 93 MET CA C 93 52.994 52.335 0.659 1
1 1167 . 15 1 1 A 93 93 MET CB C 93 32.271 33.181 -0.910 1
1 1168 . 15 1 1 A 93 93 MET N N 93 123.282 124.019 -0.737 1
1 1169 . 15 1 1 A 94 94 PRO HA H 94 4.505 4.578 -0.073 1
1 1176 . 15 1 1 A 94 94 PRO CA C 94 62.884 64.307 -1.423 1
1 1177 . 15 1 1 A 94 94 PRO CB C 94 31.885 32.277 -0.392 1
1 1180 . 15 1 1 A 95 95 THR H H 95 8.180 7.761 0.419 1
1 1181 . 15 1 1 A 95 95 THR HA H 95 4.320 4.910 -0.590 1
1 1186 . 15 1 1 A 95 95 THR C C 95 176.463 173.019 3.444 1
1 1187 . 15 1 1 A 95 95 THR CA C 95 61.391 60.991 0.400 1
1 1188 . 15 1 1 A 95 95 THR CB C 95 69.583 70.119 -0.536 1
1 1190 . 15 1 1 A 95 95 THR N N 95 114.511 112.448 2.063 1
1 1 . 16 1 1 A 2 2 PRO HA H 2 4.279 4.554 -0.275 1
1 8 . 16 1 1 A 2 2 PRO CA C 2 61.757 62.617 -0.860 1
1 9 . 16 1 1 A 2 2 PRO CB C 2 32.181 31.467 0.714 1
1 12 . 16 1 1 A 3 3 ALA H H 3 8.418 8.347 0.071 1
1 13 . 16 1 1 A 3 3 ALA HA H 3 4.242 4.197 0.045 1
1 17 . 16 1 1 A 3 3 ALA C C 3 171.733 177.495 -5.762 1
1 18 . 16 1 1 A 3 3 ALA CA C 3 53.120 52.339 0.781 1
1 19 . 16 1 1 A 3 3 ALA CB C 3 19.076 19.000 0.076 1
1 20 . 16 1 1 A 3 3 ALA N N 3 122.573 125.286 -2.713 1
1 21 . 16 1 1 A 4 4 ILE H H 4 8.389 8.559 -0.170 1
1 22 . 16 1 1 A 4 4 ILE HA H 4 3.730 4.003 -0.273 1
1 32 . 16 1 1 A 4 4 ILE C C 4 177.391 174.589 2.802 1
1 33 . 16 1 1 A 4 4 ILE CA C 4 60.039 61.463 -1.424 1
1 34 . 16 1 1 A 4 4 ILE CB C 4 34.720 37.020 -2.300 1
1 38 . 16 1 1 A 4 4 ILE N N 4 119.283 119.001 0.282 1
1 39 . 16 1 1 A 5 5 GLU H H 5 6.799 7.974 -1.175 1
1 40 . 16 1 1 A 5 5 GLU HA H 5 4.630 4.729 -0.099 1
1 45 . 16 1 1 A 5 5 GLU C C 5 173.009 174.723 -1.714 1
1 46 . 16 1 1 A 5 5 GLU CA C 5 53.474 54.892 -1.418 1
1 47 . 16 1 1 A 5 5 GLU CB C 5 32.091 33.916 -1.825 1
1 49 . 16 1 1 A 5 5 GLU N N 5 122.616 125.744 -3.128 1
1 50 . 16 1 1 A 6 6 VAL H H 6 8.899 8.469 0.430 1
1 51 . 16 1 1 A 6 6 VAL HA H 6 3.318 4.296 -0.978 1
1 59 . 16 1 1 A 6 6 VAL C C 6 174.172 176.356 -2.184 1
1 60 . 16 1 1 A 6 6 VAL CA C 6 65.581 63.290 2.291 1
1 61 . 16 1 1 A 6 6 VAL CB C 6 30.939 31.494 -0.555 1
1 64 . 16 1 1 A 6 6 VAL N N 6 122.205 122.716 -0.511 1
1 65 . 16 1 1 A 7 7 GLY H H 7 9.478 8.825 0.653 1
1 66 . 16 1 1 A 7 7 GLY HA2 H 7 5.016 4.019 0.997 1
1 67 . 16 1 1 A 7 7 GLY HA3 H 7 3.187 4.021 -0.834 1
1 68 . 16 1 1 A 7 7 GLY C C 7 176.688 173.629 3.059 1
1 69 . 16 1 1 A 7 7 GLY CA C 7 44.580 45.050 -0.470 1
1 70 . 16 1 1 A 7 7 GLY N N 7 115.742 114.624 1.118 1
1 71 . 16 1 1 A 8 8 ARG H H 8 8.128 7.621 0.507 1
1 72 . 16 1 1 A 8 8 ARG HA H 8 4.226 4.576 -0.350 1
1 79 . 16 1 1 A 8 8 ARG C C 8 173.667 175.443 -1.776 1
1 80 . 16 1 1 A 8 8 ARG CA C 8 54.906 54.702 0.204 1
1 81 . 16 1 1 A 8 8 ARG CB C 8 29.331 31.697 -2.366 1
1 84 . 16 1 1 A 8 8 ARG N N 8 120.180 121.527 -1.347 1
1 85 . 16 1 1 A 9 9 ILE H H 9 8.571 8.635 -0.064 1
1 86 . 16 1 1 A 9 9 ILE HA H 9 4.965 4.559 0.406 1
1 96 . 16 1 1 A 9 9 ILE C C 9 175.361 175.694 -0.333 1
1 97 . 16 1 1 A 9 9 ILE CA C 9 61.241 60.960 0.281 1
1 98 . 16 1 1 A 9 9 ILE CB C 9 36.712 37.948 -1.236 1
1 102 . 16 1 1 A 9 9 ILE N N 9 129.626 125.876 3.750 1
1 103 . 16 1 1 A 10 10 CYS H H 10 9.614 9.660 -0.046 1
1 104 . 16 1 1 A 10 10 CYS HA H 10 5.471 5.485 -0.014 1
1 107 . 16 1 1 A 10 10 CYS C C 10 177.158 172.294 4.864 1
1 108 . 16 1 1 A 10 10 CYS CA C 10 57.088 56.728 0.360 1
1 109 . 16 1 1 A 10 10 CYS CB C 10 32.935 31.153 1.782 1
1 110 . 16 1 1 A 10 10 CYS N N 10 126.595 125.600 0.995 1
1 111 . 16 1 1 A 11 11 VAL H H 11 8.926 8.943 -0.017 1
1 112 . 16 1 1 A 11 11 VAL HA H 11 4.351 4.912 -0.561 1
1 120 . 16 1 1 A 11 11 VAL C C 11 172.010 174.689 -2.679 1
1 121 . 16 1 1 A 11 11 VAL CA C 11 60.857 59.521 1.336 1
1 122 . 16 1 1 A 11 11 VAL CB C 11 33.989 34.314 -0.325 1
1 125 . 16 1 1 A 11 11 VAL N N 11 119.765 121.738 -1.973 1
1 126 . 16 1 1 A 12 12 LYS H H 12 8.961 8.434 0.527 1
1 127 . 16 1 1 A 12 12 LYS HA H 12 4.510 4.484 0.026 1
1 136 . 16 1 1 A 12 12 LYS C C 12 175.625 175.430 0.195 1
1 137 . 16 1 1 A 12 12 LYS CA C 12 56.422 56.502 -0.080 1
1 138 . 16 1 1 A 12 12 LYS CB C 12 32.726 32.499 0.227 1
1 142 . 16 1 1 A 12 12 LYS N N 12 127.967 128.530 -0.563 1
1 143 . 16 1 1 A 13 13 VAL H H 13 8.522 8.556 -0.034 1
1 144 . 16 1 1 A 13 13 VAL HA H 13 4.518 4.475 0.043 1
1 152 . 16 1 1 A 13 13 VAL C C 13 176.284 175.329 0.955 1
1 153 . 16 1 1 A 13 13 VAL CA C 13 61.492 60.880 0.612 1
1 154 . 16 1 1 A 13 13 VAL CB C 13 32.089 32.227 -0.138 1
1 157 . 16 1 1 A 13 13 VAL N N 13 118.593 128.206 -9.613 1
1 158 . 16 1 1 A 14 14 LYS H H 14 7.310 8.482 -1.172 1
1 159 . 16 1 1 A 14 14 LYS HA H 14 4.580 4.510 0.070 1
1 168 . 16 1 1 A 14 14 LYS C C 14 174.043 176.115 -2.072 1
1 169 . 16 1 1 A 14 14 LYS CA C 14 54.090 57.084 -2.994 1
1 170 . 16 1 1 A 14 14 LYS CB C 14 36.489 35.543 0.946 1
1 174 . 16 1 1 A 14 14 LYS N N 14 117.809 129.344 -11.535 1
1 175 . 16 1 1 A 15 15 GLY H H 15 8.548 7.863 0.685 1
1 176 . 16 1 1 A 15 15 GLY HA2 H 15 4.264 4.042 0.222 1
1 177 . 16 1 1 A 15 15 GLY HA3 H 15 3.845 4.049 -0.204 1
1 178 . 16 1 1 A 15 15 GLY C C 15 175.166 174.612 0.554 1
1 179 . 16 1 1 A 15 15 GLY CA C 15 43.993 44.329 -0.336 1
1 180 . 16 1 1 A 15 15 GLY N N 15 108.732 108.278 0.454 1
1 181 . 16 1 1 A 16 16 ARG H H 16 8.618 8.611 0.007 1
1 182 . 16 1 1 A 16 16 ARG HA H 16 4.082 4.439 -0.357 1
1 189 . 16 1 1 A 16 16 ARG C C 16 174.254 175.935 -1.681 1
1 190 . 16 1 1 A 16 16 ARG CA C 16 57.950 56.971 0.979 1
1 191 . 16 1 1 A 16 16 ARG CB C 16 29.776 31.587 -1.811 1
1 194 . 16 1 1 A 16 16 ARG N N 16 120.561 122.092 -1.531 1
1 195 . 16 1 1 A 17 17 GLU H H 17 8.935 7.809 1.126 1
1 196 . 16 1 1 A 17 17 GLU HA H 17 4.190 4.526 -0.336 1
1 201 . 16 1 1 A 17 17 GLU C C 17 177.426 176.519 0.907 1
1 202 . 16 1 1 A 17 17 GLU CA C 17 55.386 55.829 -0.443 1
1 203 . 16 1 1 A 17 17 GLU CB C 17 27.412 30.166 -2.754 1
1 205 . 16 1 1 A 17 17 GLU N N 17 115.930 116.194 -0.264 1
1 206 . 16 1 1 A 18 18 ALA H H 18 7.267 8.640 -1.373 1
1 207 . 16 1 1 A 18 18 ALA HA H 18 3.737 4.556 -0.819 1
1 211 . 16 1 1 A 18 18 ALA C C 18 174.969 178.269 -3.300 1
1 212 . 16 1 1 A 18 18 ALA CA C 18 53.272 51.605 1.667 1
1 213 . 16 1 1 A 18 18 ALA CB C 18 17.382 19.300 -1.918 1
1 214 . 16 1 1 A 18 18 ALA N N 18 120.485 127.726 -7.241 1
1 215 . 16 1 1 A 19 19 GLY H H 19 9.424 8.209 1.215 1
1 216 . 16 1 1 A 19 19 GLY HA2 H 19 4.680 3.907 0.773 1
1 217 . 16 1 1 A 19 19 GLY HA3 H 19 3.451 3.914 -0.463 1
1 218 . 16 1 1 A 19 19 GLY C C 19 178.386 173.500 4.886 1
1 219 . 16 1 1 A 19 19 GLY CA C 19 44.905 45.390 -0.485 1
1 220 . 16 1 1 A 19 19 GLY N N 19 112.194 107.739 4.455 1
1 221 . 16 1 1 A 20 20 SER H H 20 8.162 7.642 0.520 1
1 222 . 16 1 1 A 20 20 SER HA H 20 4.861 4.833 0.028 1
1 225 . 16 1 1 A 20 20 SER C C 20 173.441 173.099 0.342 1
1 226 . 16 1 1 A 20 20 SER CA C 20 58.253 57.790 0.463 1
1 227 . 16 1 1 A 20 20 SER CB C 20 64.447 63.638 0.809 1
1 228 . 16 1 1 A 20 20 SER N N 20 115.207 116.106 -0.899 1
1 229 . 16 1 1 A 21 21 LYS H H 21 8.836 8.917 -0.081 1
1 230 . 16 1 1 A 21 21 LYS HA H 21 5.369 4.916 0.453 1
1 239 . 16 1 1 A 21 21 LYS C C 21 172.859 175.802 -2.943 1
1 240 . 16 1 1 A 21 21 LYS CA C 21 55.508 55.581 -0.073 1
1 241 . 16 1 1 A 21 21 LYS CB C 21 34.795 33.976 0.819 1
1 245 . 16 1 1 A 21 21 LYS N N 21 121.269 125.520 -4.251 1
1 246 . 16 1 1 A 22 22 CYS H H 22 8.905 9.199 -0.294 1
1 247 . 16 1 1 A 22 22 CYS HA H 22 5.527 5.197 0.330 1
1 250 . 16 1 1 A 22 22 CYS C C 22 174.204 173.046 1.158 1
1 251 . 16 1 1 A 22 22 CYS CA C 22 55.584 57.746 -2.162 1
1 252 . 16 1 1 A 22 22 CYS CB C 22 30.941 32.022 -1.081 1
1 253 . 16 1 1 A 22 22 CYS N N 22 110.073 122.770 -12.697 1
1 254 . 16 1 1 A 23 23 VAL H H 23 9.325 9.317 0.008 1
1 255 . 16 1 1 A 23 23 VAL HA H 23 4.761 4.463 0.298 1
1 263 . 16 1 1 A 23 23 VAL C C 23 171.121 175.868 -4.747 1
1 264 . 16 1 1 A 23 23 VAL CA C 23 60.552 61.466 -0.914 1
1 265 . 16 1 1 A 23 23 VAL CB C 23 35.141 33.342 1.799 1
1 268 . 16 1 1 A 23 23 VAL N N 23 119.042 123.176 -4.134 1
1 269 . 16 1 1 A 24 24 ILE H H 24 8.239 8.767 -0.528 1
1 270 . 16 1 1 A 24 24 ILE HA H 24 4.239 4.111 0.128 1
1 280 . 16 1 1 A 24 24 ILE C C 24 175.805 175.533 0.272 1
1 281 . 16 1 1 A 24 24 ILE CA C 24 62.552 61.612 0.940 1
1 282 . 16 1 1 A 24 24 ILE CB C 24 36.819 36.872 -0.053 1
1 286 . 16 1 1 A 24 24 ILE N N 24 124.259 127.165 -2.906 1
1 287 . 16 1 1 A 25 25 VAL H H 25 9.205 8.902 0.303 1
1 288 . 16 1 1 A 25 25 VAL HA H 25 4.689 4.004 0.685 1
1 296 . 16 1 1 A 25 25 VAL C C 25 175.650 175.932 -0.282 1
1 297 . 16 1 1 A 25 25 VAL CA C 25 60.947 64.230 -3.283 1
1 298 . 16 1 1 A 25 25 VAL CB C 25 32.986 32.611 0.375 1
1 301 . 16 1 1 A 25 25 VAL N N 25 121.805 129.311 -7.506 1
1 302 . 16 1 1 A 26 26 ASP H H 26 8.103 7.662 0.441 1
1 303 . 16 1 1 A 26 26 ASP HA H 26 4.771 5.046 -0.275 1
1 306 . 16 1 1 A 26 26 ASP C C 26 174.343 174.002 0.341 1
1 307 . 16 1 1 A 26 26 ASP CA C 26 53.671 53.412 0.259 1
1 308 . 16 1 1 A 26 26 ASP CB C 26 43.563 44.255 -0.692 1
1 309 . 16 1 1 A 26 26 ASP N N 26 118.459 117.371 1.088 1
1 310 . 16 1 1 A 27 27 ILE H H 27 9.092 8.915 0.177 1
1 311 . 16 1 1 A 27 27 ILE HA H 27 4.273 4.222 0.051 1
1 321 . 16 1 1 A 27 27 ILE C C 27 173.976 175.477 -1.501 1
1 322 . 16 1 1 A 27 27 ILE CA C 27 60.306 61.047 -0.741 1
1 323 . 16 1 1 A 27 27 ILE CB C 27 38.339 36.996 1.343 1
1 327 . 16 1 1 A 27 27 ILE N N 27 124.375 126.395 -2.020 1
1 328 . 16 1 1 A 28 28 ILE H H 28 8.055 8.870 -0.815 1
1 329 . 16 1 1 A 28 28 ILE HA H 28 3.986 4.104 -0.118 1
1 339 . 16 1 1 A 28 28 ILE C C 28 174.733 175.560 -0.827 1
1 340 . 16 1 1 A 28 28 ILE CA C 28 62.414 63.176 -0.762 1
1 341 . 16 1 1 A 28 28 ILE CB C 28 37.450 38.190 -0.740 1
1 345 . 16 1 1 A 28 28 ILE N N 28 127.525 129.518 -1.993 1
1 346 . 16 1 1 A 29 29 ASP H H 29 8.438 8.595 -0.157 1
1 347 . 16 1 1 A 29 29 ASP HA H 29 4.522 5.010 -0.488 1
1 350 . 16 1 1 A 29 29 ASP C C 29 175.289 175.549 -0.260 1
1 351 . 16 1 1 A 29 29 ASP CA C 29 53.316 51.931 1.385 1
1 352 . 16 1 1 A 29 29 ASP CB C 29 39.450 43.530 -4.080 1
1 353 . 16 1 1 A 29 29 ASP N N 29 118.886 119.496 -0.610 1
1 354 . 16 1 1 A 30 30 ASP H H 30 8.140 8.794 -0.654 1
1 355 . 16 1 1 A 30 30 ASP HA H 30 4.375 4.517 -0.142 1
1 358 . 16 1 1 A 30 30 ASP C C 30 174.332 177.328 -2.996 1
1 359 . 16 1 1 A 30 30 ASP CA C 30 56.171 55.978 0.193 1
1 360 . 16 1 1 A 30 30 ASP CB C 30 40.302 41.643 -1.341 1
1 361 . 16 1 1 A 30 30 ASP N N 30 112.219 123.663 -11.444 1
1 362 . 16 1 1 A 31 31 ASN H H 31 8.866 8.235 0.631 1
1 363 . 16 1 1 A 31 31 ASN HA H 31 4.805 4.781 0.024 1
1 366 . 16 1 1 A 31 31 ASN C C 31 175.926 174.209 1.717 1
1 367 . 16 1 1 A 31 31 ASN CA C 31 54.015 52.545 1.470 1
1 368 . 16 1 1 A 31 31 ASN CB C 31 42.366 39.412 2.954 1
1 369 . 16 1 1 A 31 31 ASN N N 31 114.650 115.906 -1.256 1
1 370 . 16 1 1 A 32 32 PHE H H 32 8.481 7.668 0.813 1
1 371 . 16 1 1 A 32 32 PHE HA H 32 5.279 5.400 -0.121 1
1 376 . 16 1 1 A 32 32 PHE C C 32 173.451 175.128 -1.677 1
1 377 . 16 1 1 A 32 32 PHE CA C 32 57.629 56.536 1.093 1
1 378 . 16 1 1 A 32 32 PHE CB C 32 42.418 41.900 0.518 1
1 379 . 16 1 1 A 32 32 PHE N N 32 117.648 117.566 0.082 1
1 380 . 16 1 1 A 33 33 VAL H H 33 8.680 9.001 -0.321 1
1 381 . 16 1 1 A 33 33 VAL HA H 33 4.720 5.079 -0.359 1
1 389 . 16 1 1 A 33 33 VAL C C 33 174.458 173.948 0.510 1
1 390 . 16 1 1 A 33 33 VAL CA C 33 58.331 59.269 -0.938 1
1 391 . 16 1 1 A 33 33 VAL CB C 33 34.410 35.918 -1.508 1
1 394 . 16 1 1 A 33 33 VAL N N 33 110.814 117.046 -6.232 1
1 395 . 16 1 1 A 34 34 LEU H H 34 8.696 8.878 -0.182 1
1 396 . 16 1 1 A 34 34 LEU HA H 34 4.871 4.882 -0.011 1
1 406 . 16 1 1 A 34 34 LEU C C 34 172.716 175.774 -3.058 1
1 407 . 16 1 1 A 34 34 LEU CA C 34 53.776 53.716 0.060 1
1 408 . 16 1 1 A 34 34 LEU CB C 34 44.582 43.593 0.989 1
1 412 . 16 1 1 A 34 34 LEU N N 34 123.160 124.900 -1.740 1
1 413 . 16 1 1 A 35 35 VAL H H 35 8.460 9.028 -0.568 1
1 414 . 16 1 1 A 35 35 VAL HA H 35 5.674 5.295 0.379 1
1 422 . 16 1 1 A 35 35 VAL C C 35 176.009 174.628 1.381 1
1 423 . 16 1 1 A 35 35 VAL CA C 35 57.423 59.804 -2.381 1
1 424 . 16 1 1 A 35 35 VAL CB C 35 35.541 34.555 0.986 1
1 427 . 16 1 1 A 35 35 VAL N N 35 119.184 121.741 -2.557 1
1 428 . 16 1 1 A 36 36 THR H H 36 8.362 8.472 -0.110 1
1 429 . 16 1 1 A 36 36 THR HA H 36 4.535 4.693 -0.158 1
1 434 . 16 1 1 A 36 36 THR C C 36 173.498 172.564 0.934 1
1 435 . 16 1 1 A 36 36 THR CA C 36 59.643 60.078 -0.435 1
1 436 . 16 1 1 A 36 36 THR CB C 36 70.439 69.739 0.700 1
1 438 . 16 1 1 A 36 36 THR N N 36 109.151 117.344 -8.193 1
1 439 . 16 1 1 A 37 37 GLY H H 37 7.571 8.504 -0.933 1
1 440 . 16 1 1 A 37 37 GLY C C 37 172.460 171.975 0.485 1
1 441 . 16 1 1 A 37 37 GLY CA C 37 51.421 44.502 6.919 1
1 442 . 16 1 1 A 37 37 GLY N N 37 115.474 110.638 4.836 1
1 443 . 16 1 1 A 38 38 PRO HA H 38 5.235 4.727 0.508 1
1 450 . 16 1 1 A 38 38 PRO CA C 38 60.459 63.332 -2.873 1
1 451 . 16 1 1 A 38 38 PRO CB C 38 35.517 32.497 3.020 1
1 454 . 16 1 1 A 39 39 LYS H H 39 9.463 8.484 0.979 1
1 455 . 16 1 1 A 39 39 LYS HA H 39 3.545 4.005 -0.460 1
1 464 . 16 1 1 A 39 39 LYS C C 39 179.019 176.686 2.333 1
1 465 . 16 1 1 A 39 39 LYS CA C 39 60.344 58.031 2.313 1
1 466 . 16 1 1 A 39 39 LYS CB C 39 31.826 31.663 0.163 1
1 470 . 16 1 1 A 39 39 LYS N N 39 127.869 122.474 5.395 1
1 471 . 16 1 1 A 40 40 ASP H H 40 9.035 8.091 0.944 1
1 472 . 16 1 1 A 40 40 ASP HA H 40 4.375 4.744 -0.369 1
1 475 . 16 1 1 A 40 40 ASP C C 40 177.615 176.418 1.197 1
1 476 . 16 1 1 A 40 40 ASP CA C 40 55.080 54.856 0.224 1
1 477 . 16 1 1 A 40 40 ASP CB C 40 39.209 41.482 -2.273 1
1 478 . 16 1 1 A 40 40 ASP N N 40 115.744 118.771 -3.027 1
1 479 . 16 1 1 A 41 41 ILE H H 41 7.739 7.546 0.193 1
1 480 . 16 1 1 A 41 41 ILE HA H 41 4.218 4.180 0.038 1
1 490 . 16 1 1 A 41 41 ILE C C 41 174.826 177.087 -2.261 1
1 491 . 16 1 1 A 41 41 ILE CA C 41 61.664 62.683 -1.019 1
1 492 . 16 1 1 A 41 41 ILE CB C 41 37.453 39.321 -1.868 1
1 496 . 16 1 1 A 41 41 ILE N N 41 116.447 116.911 -0.464 1
1 497 . 16 1 1 A 42 42 THR H H 42 7.766 8.189 -0.423 1
1 498 . 16 1 1 A 42 42 THR HA H 42 4.734 4.346 0.388 1
1 503 . 16 1 1 A 42 42 THR C C 42 175.827 175.467 0.360 1
1 504 . 16 1 1 A 42 42 THR CA C 42 60.110 64.188 -4.078 1
1 505 . 16 1 1 A 42 42 THR CB C 42 71.791 69.458 2.333 1
1 507 . 16 1 1 A 42 42 THR N N 42 104.054 111.965 -7.911 1
1 508 . 16 1 1 A 43 43 GLY H H 43 7.844 8.210 -0.366 1
1 509 . 16 1 1 A 43 43 GLY HA2 H 43 4.461 3.962 0.499 1
1 510 . 16 1 1 A 43 43 GLY HA3 H 43 3.836 3.963 -0.127 1
1 511 . 16 1 1 A 43 43 GLY C C 43 175.208 174.716 0.492 1
1 512 . 16 1 1 A 43 43 GLY CA C 43 44.826 46.837 -2.011 1
1 513 . 16 1 1 A 43 43 GLY N N 43 109.006 109.111 -0.105 1
1 514 . 16 1 1 A 44 44 VAL H H 44 7.289 7.574 -0.285 1
1 515 . 16 1 1 A 44 44 VAL HA H 44 3.945 4.151 -0.206 1
1 523 . 16 1 1 A 44 44 VAL C C 44 173.149 175.415 -2.266 1
1 524 . 16 1 1 A 44 44 VAL CA C 44 62.902 61.873 1.029 1
1 525 . 16 1 1 A 44 44 VAL CB C 44 31.715 32.405 -0.690 1
1 528 . 16 1 1 A 44 44 VAL N N 44 120.903 120.115 0.788 1
1 529 . 16 1 1 A 45 45 LYS H H 45 8.308 8.373 -0.065 1
1 530 . 16 1 1 A 45 45 LYS HA H 45 4.190 4.456 -0.266 1
1 539 . 16 1 1 A 45 45 LYS C C 45 175.177 176.148 -0.971 1
1 540 . 16 1 1 A 45 45 LYS CA C 45 56.355 55.870 0.485 1
1 541 . 16 1 1 A 45 45 LYS CB C 45 33.385 33.353 0.032 1
1 545 . 16 1 1 A 45 45 LYS N N 45 128.406 126.669 1.737 1
1 546 . 16 1 1 A 46 46 ARG H H 46 8.080 8.764 -0.684 1
1 547 . 16 1 1 A 46 46 ARG HA H 46 5.720 4.682 1.038 1
1 554 . 16 1 1 A 46 46 ARG C C 46 173.780 175.215 -1.435 1
1 555 . 16 1 1 A 46 46 ARG CA C 46 54.888 56.169 -1.281 1
1 556 . 16 1 1 A 46 46 ARG CB C 46 29.630 30.680 -1.050 1
1 559 . 16 1 1 A 46 46 ARG N N 46 120.129 124.132 -4.003 1
1 560 . 16 1 1 A 47 47 ARG H H 47 8.452 8.800 -0.348 1
1 561 . 16 1 1 A 47 47 ARG HA H 47 4.732 4.885 -0.153 1
1 568 . 16 1 1 A 47 47 ARG C C 47 176.138 174.526 1.612 1
1 569 . 16 1 1 A 47 47 ARG CA C 47 54.319 54.389 -0.070 1
1 570 . 16 1 1 A 47 47 ARG CB C 47 33.746 34.351 -0.605 1
1 573 . 16 1 1 A 47 47 ARG N N 47 126.780 125.935 0.845 1
1 574 . 16 1 1 A 48 48 ARG H H 48 8.546 8.513 0.033 1
1 575 . 16 1 1 A 48 48 ARG HA H 48 5.111 5.049 0.062 1
1 582 . 16 1 1 A 48 48 ARG C C 48 174.339 175.749 -1.410 1
1 583 . 16 1 1 A 48 48 ARG CA C 48 55.524 54.707 0.817 1
1 584 . 16 1 1 A 48 48 ARG CB C 48 31.132 31.182 -0.050 1
1 587 . 16 1 1 A 48 48 ARG N N 48 121.931 121.645 0.286 1
1 588 . 16 1 1 A 49 49 VAL H H 49 9.485 8.937 0.548 1
1 589 . 16 1 1 A 49 49 VAL HA H 49 4.651 5.017 -0.366 1
1 597 . 16 1 1 A 49 49 VAL C C 49 176.112 174.782 1.330 1
1 598 . 16 1 1 A 49 49 VAL CA C 49 60.040 58.991 1.049 1
1 599 . 16 1 1 A 49 49 VAL CB C 49 36.427 35.612 0.815 1
1 602 . 16 1 1 A 49 49 VAL N N 49 122.891 117.627 5.264 1
1 603 . 16 1 1 A 50 50 ASN H H 50 8.569 8.640 -0.071 1
1 604 . 16 1 1 A 50 50 ASN HA H 50 4.213 5.011 -0.798 1
1 607 . 16 1 1 A 50 50 ASN C C 50 173.258 177.001 -3.743 1
1 608 . 16 1 1 A 50 50 ASN CA C 50 52.732 53.357 -0.625 1
1 609 . 16 1 1 A 50 50 ASN CB C 50 38.173 38.779 -0.606 1
1 610 . 16 1 1 A 50 50 ASN N N 50 125.736 118.464 7.272 1
1 611 . 16 1 1 A 51 51 ILE H H 51 8.601 8.280 0.321 1
1 612 . 16 1 1 A 51 51 ILE HA H 51 3.632 3.929 -0.297 1
1 622 . 16 1 1 A 51 51 ILE C C 51 176.785 177.321 -0.536 1
1 623 . 16 1 1 A 51 51 ILE CA C 51 65.046 63.312 1.734 1
1 624 . 16 1 1 A 51 51 ILE CB C 51 38.532 37.949 0.583 1
1 628 . 16 1 1 A 51 51 ILE N N 51 126.454 123.399 3.055 1
1 629 . 16 1 1 A 52 52 LEU H H 52 8.448 7.490 0.958 1
1 630 . 16 1 1 A 52 52 LEU HA H 52 4.290 4.031 0.259 1
1 640 . 16 1 1 A 52 52 LEU C C 52 176.765 177.249 -0.484 1
1 641 . 16 1 1 A 52 52 LEU CA C 52 55.880 56.840 -0.960 1
1 642 . 16 1 1 A 52 52 LEU CB C 52 40.983 41.563 -0.580 1
1 646 . 16 1 1 A 52 52 LEU N N 52 118.365 121.443 -3.078 1
1 647 . 16 1 1 A 53 53 HIS H H 53 8.358 7.447 0.911 1
1 648 . 16 1 1 A 53 53 HIS HA H 53 4.621 4.803 -0.182 1
1 651 . 16 1 1 A 53 53 HIS C C 53 178.018 173.762 4.256 1
1 652 . 16 1 1 A 53 53 HIS CA C 53 53.996 55.478 -1.482 1
1 653 . 16 1 1 A 53 53 HIS CB C 53 30.306 30.203 0.103 1
1 654 . 16 1 1 A 53 53 HIS N N 53 116.672 113.943 2.729 1
1 655 . 16 1 1 A 54 54 LEU H H 54 7.693 7.586 0.107 1
1 656 . 16 1 1 A 54 54 LEU HA H 54 5.222 4.789 0.433 1
1 666 . 16 1 1 A 54 54 LEU C C 54 173.609 175.526 -1.917 1
1 667 . 16 1 1 A 54 54 LEU CA C 54 52.932 52.920 0.012 1
1 668 . 16 1 1 A 54 54 LEU CB C 54 45.943 43.261 2.682 1
1 672 . 16 1 1 A 54 54 LEU N N 54 119.311 120.427 -1.116 1
1 673 . 16 1 1 A 55 55 GLU H H 55 9.073 8.467 0.606 1
1 674 . 16 1 1 A 55 55 GLU C C 55 175.102 174.066 1.036 1
1 675 . 16 1 1 A 55 55 GLU CA C 55 52.073 52.760 -0.687 1
1 676 . 16 1 1 A 55 55 GLU CB C 55 31.958 31.686 0.272 1
1 677 . 16 1 1 A 55 55 GLU N N 55 120.139 123.955 -3.816 1
1 678 . 16 1 1 A 56 56 PRO HA H 56 4.903 4.742 0.161 1
1 685 . 16 1 1 A 56 56 PRO CA C 56 63.121 62.526 0.595 1
1 686 . 16 1 1 A 56 56 PRO CB C 56 32.274 32.410 -0.136 1
1 689 . 16 1 1 A 57 57 THR H H 57 8.502 8.568 -0.066 1
1 690 . 16 1 1 A 57 57 THR HA H 57 4.932 4.628 0.304 1
1 695 . 16 1 1 A 57 57 THR C C 57 175.894 175.842 0.052 1
1 696 . 16 1 1 A 57 57 THR CA C 57 60.602 60.508 0.094 1
1 697 . 16 1 1 A 57 57 THR CB C 57 71.821 70.922 0.899 1
1 699 . 16 1 1 A 57 57 THR N N 57 113.388 112.926 0.462 1
1 700 . 16 1 1 A 58 58 ASP H H 58 8.605 8.914 -0.309 1
1 701 . 16 1 1 A 58 58 ASP HA H 58 4.445 4.426 0.019 1
1 704 . 16 1 1 A 58 58 ASP C C 58 173.673 176.701 -3.028 1
1 705 . 16 1 1 A 58 58 ASP CA C 58 53.743 57.709 -3.966 1
1 706 . 16 1 1 A 58 58 ASP CB C 58 39.622 41.430 -1.808 1
1 707 . 16 1 1 A 58 58 ASP N N 58 115.340 120.132 -4.792 1
1 708 . 16 1 1 A 59 59 LYS H H 59 8.544 7.656 0.888 1
1 709 . 16 1 1 A 59 59 LYS HA H 59 4.646 4.731 -0.085 1
1 718 . 16 1 1 A 59 59 LYS C C 59 174.972 175.314 -0.342 1
1 719 . 16 1 1 A 59 59 LYS CA C 59 54.336 54.567 -0.231 1
1 720 . 16 1 1 A 59 59 LYS CB C 59 34.626 35.379 -0.753 1
1 724 . 16 1 1 A 59 59 LYS N N 59 119.488 116.753 2.735 1
1 725 . 16 1 1 A 60 60 LYS H H 60 8.227 8.991 -0.764 1
1 726 . 16 1 1 A 60 60 LYS HA H 60 4.999 5.090 -0.091 1
1 735 . 16 1 1 A 60 60 LYS C C 60 174.256 174.979 -0.723 1
1 736 . 16 1 1 A 60 60 LYS CA C 60 54.465 54.522 -0.057 1
1 737 . 16 1 1 A 60 60 LYS CB C 60 36.153 36.334 -0.181 1
1 741 . 16 1 1 A 60 60 LYS N N 60 121.112 117.993 3.119 1
1 742 . 16 1 1 A 61 61 ILE H H 61 8.527 9.029 -0.502 1
1 743 . 16 1 1 A 61 61 ILE HA H 61 4.724 4.870 -0.146 1
1 753 . 16 1 1 A 61 61 ILE C C 61 174.330 174.240 0.090 1
1 754 . 16 1 1 A 61 61 ILE CA C 61 58.831 59.555 -0.724 1
1 755 . 16 1 1 A 61 61 ILE CB C 61 41.357 39.965 1.392 1
1 759 . 16 1 1 A 61 61 ILE N N 61 116.027 118.508 -2.481 1
1 760 . 16 1 1 A 62 62 ASP H H 62 8.513 8.884 -0.371 1
1 761 . 16 1 1 A 62 62 ASP HA H 62 4.732 4.890 -0.158 1
1 764 . 16 1 1 A 62 62 ASP C C 62 174.224 176.102 -1.878 1
1 765 . 16 1 1 A 62 62 ASP CA C 62 53.163 53.594 -0.431 1
1 766 . 16 1 1 A 62 62 ASP CB C 62 39.686 41.061 -1.375 1
1 767 . 16 1 1 A 62 62 ASP N N 62 121.643 126.210 -4.567 1
1 768 . 16 1 1 A 63 63 ILE H H 63 7.389 8.903 -1.514 1
1 769 . 16 1 1 A 63 63 ILE HA H 63 4.641 5.092 -0.451 1
1 779 . 16 1 1 A 63 63 ILE C C 63 174.484 175.388 -0.904 1
1 780 . 16 1 1 A 63 63 ILE CA C 63 58.244 58.595 -0.351 1
1 781 . 16 1 1 A 63 63 ILE CB C 63 41.811 41.394 0.417 1
1 785 . 16 1 1 A 63 63 ILE N N 63 114.509 120.648 -6.139 1
1 786 . 16 1 1 A 64 64 GLN H H 64 8.529 8.305 0.224 1
1 787 . 16 1 1 A 64 64 GLN HA H 64 4.390 4.468 -0.078 1
1 792 . 16 1 1 A 64 64 GLN C C 64 174.409 175.650 -1.241 1
1 793 . 16 1 1 A 64 64 GLN CA C 64 53.860 55.693 -1.833 1
1 794 . 16 1 1 A 64 64 GLN CB C 64 30.086 29.693 0.393 1
1 796 . 16 1 1 A 64 64 GLN N N 64 119.145 120.412 -1.267 1
1 797 . 16 1 1 A 65 65 LYS H H 65 8.323 8.665 -0.342 1
1 798 . 16 1 1 A 65 65 LYS HA H 65 4.132 3.975 0.157 1
1 807 . 16 1 1 A 65 65 LYS C C 65 174.920 177.476 -2.556 1
1 808 . 16 1 1 A 65 65 LYS CA C 65 57.603 58.254 -0.651 1
1 809 . 16 1 1 A 65 65 LYS CB C 65 32.341 32.044 0.297 1
1 813 . 16 1 1 A 65 65 LYS N N 65 119.780 123.674 -3.894 1
1 814 . 16 1 1 A 66 66 GLY H H 66 9.313 8.926 0.387 1
1 815 . 16 1 1 A 66 66 GLY HA2 H 66 4.093 3.945 0.148 1
1 816 . 16 1 1 A 66 66 GLY HA3 H 66 3.297 3.946 -0.649 1
1 817 . 16 1 1 A 66 66 GLY C C 66 177.892 174.934 2.958 1
1 818 . 16 1 1 A 66 66 GLY CA C 66 44.953 46.334 -1.381 1
1 819 . 16 1 1 A 66 66 GLY N N 66 112.449 114.396 -1.947 1
1 820 . 16 1 1 A 67 67 ALA H H 67 7.545 8.115 -0.570 1
1 821 . 16 1 1 A 67 67 ALA HA H 67 4.081 4.580 -0.499 1
1 825 . 16 1 1 A 67 67 ALA C C 67 173.517 176.383 -2.866 1
1 826 . 16 1 1 A 67 67 ALA CA C 67 52.802 51.557 1.245 1
1 827 . 16 1 1 A 67 67 ALA CB C 67 20.424 20.629 -0.205 1
1 828 . 16 1 1 A 67 67 ALA N N 67 121.516 123.755 -2.239 1
1 829 . 16 1 1 A 68 68 SER H H 68 8.904 8.774 0.130 1
1 830 . 16 1 1 A 68 68 SER HA H 68 4.261 4.679 -0.418 1
1 833 . 16 1 1 A 68 68 SER C C 68 177.019 175.075 1.944 1
1 834 . 16 1 1 A 68 68 SER CA C 68 57.321 57.075 0.246 1
1 835 . 16 1 1 A 68 68 SER CB C 68 65.064 65.463 -0.399 1
1 836 . 16 1 1 A 68 68 SER N N 68 119.470 115.481 3.989 1
1 837 . 16 1 1 A 69 69 ASP H H 69 9.379 8.969 0.410 1
1 838 . 16 1 1 A 69 69 ASP HA H 69 4.184 4.224 -0.040 1
1 841 . 16 1 1 A 69 69 ASP C C 69 173.831 177.860 -4.029 1
1 842 . 16 1 1 A 69 69 ASP CA C 69 57.843 57.972 -0.129 1
1 843 . 16 1 1 A 69 69 ASP CB C 69 39.367 41.316 -1.949 1
1 844 . 16 1 1 A 69 69 ASP N N 69 122.205 124.533 -2.328 1
1 845 . 16 1 1 A 70 70 GLU H H 70 8.454 8.403 0.051 1
1 846 . 16 1 1 A 70 70 GLU HA H 70 3.966 4.053 -0.087 1
1 851 . 16 1 1 A 70 70 GLU C C 70 177.979 178.722 -0.743 1
1 852 . 16 1 1 A 70 70 GLU CA C 70 59.987 59.589 0.398 1
1 853 . 16 1 1 A 70 70 GLU CB C 70 28.804 29.080 -0.276 1
1 855 . 16 1 1 A 70 70 GLU N N 70 118.426 118.609 -0.183 1
1 856 . 16 1 1 A 71 71 GLU H H 71 7.835 7.921 -0.086 1
1 857 . 16 1 1 A 71 71 GLU HA H 71 4.050 4.131 -0.081 1
1 862 . 16 1 1 A 71 71 GLU C C 71 178.486 179.017 -0.531 1
1 863 . 16 1 1 A 71 71 GLU CA C 71 58.998 58.899 0.099 1
1 864 . 16 1 1 A 71 71 GLU CB C 71 29.068 29.790 -0.722 1
1 866 . 16 1 1 A 71 71 GLU N N 71 122.166 120.374 1.792 1
1 867 . 16 1 1 A 72 72 VAL H H 72 8.387 7.954 0.433 1
1 868 . 16 1 1 A 72 72 VAL HA H 72 3.295 3.547 -0.252 1
1 876 . 16 1 1 A 72 72 VAL C C 72 178.603 177.673 0.930 1
1 877 . 16 1 1 A 72 72 VAL CA C 72 66.989 67.117 -0.128 1
1 878 . 16 1 1 A 72 72 VAL CB C 72 31.242 31.488 -0.246 1
1 881 . 16 1 1 A 72 72 VAL N N 72 118.871 119.509 -0.638 1
1 882 . 16 1 1 A 73 73 LYS H H 73 8.619 8.386 0.233 1
1 883 . 16 1 1 A 73 73 LYS HA H 73 3.734 4.033 -0.299 1
1 892 . 16 1 1 A 73 73 LYS C C 73 177.118 179.007 -1.889 1
1 893 . 16 1 1 A 73 73 LYS CA C 73 60.695 59.299 1.396 1
1 894 . 16 1 1 A 73 73 LYS CB C 73 32.320 32.414 -0.094 1
1 898 . 16 1 1 A 73 73 LYS N N 73 118.351 119.851 -1.500 1
1 899 . 16 1 1 A 74 74 LYS H H 74 7.886 8.077 -0.191 1
1 900 . 16 1 1 A 74 74 LYS HA H 74 4.133 4.015 0.118 1
1 909 . 16 1 1 A 74 74 LYS C C 74 178.306 178.904 -0.598 1
1 910 . 16 1 1 A 74 74 LYS CA C 74 58.954 59.523 -0.569 1
1 911 . 16 1 1 A 74 74 LYS CB C 74 31.974 32.166 -0.192 1
1 915 . 16 1 1 A 74 74 LYS N N 74 118.808 119.134 -0.326 1
1 916 . 16 1 1 A 75 75 LYS H H 75 8.118 8.112 0.006 1
1 917 . 16 1 1 A 75 75 LYS HA H 75 4.228 4.115 0.113 1
1 926 . 16 1 1 A 75 75 LYS C C 75 178.795 178.805 -0.010 1
1 927 . 16 1 1 A 75 75 LYS CA C 75 57.158 59.507 -2.349 1
1 928 . 16 1 1 A 75 75 LYS CB C 75 31.382 32.435 -1.053 1
1 932 . 16 1 1 A 75 75 LYS N N 75 118.374 119.297 -0.923 1
1 933 . 16 1 1 A 76 76 LEU H H 76 8.778 8.533 0.245 1
1 934 . 16 1 1 A 76 76 LEU HA H 76 3.931 3.925 0.006 1
1 944 . 16 1 1 A 76 76 LEU C C 76 180.241 178.914 1.327 1
1 945 . 16 1 1 A 76 76 LEU CA C 76 58.203 57.903 0.300 1
1 946 . 16 1 1 A 76 76 LEU CB C 76 42.015 41.383 0.632 1
1 950 . 16 1 1 A 76 76 LEU N N 76 121.253 119.576 1.677 1
1 951 . 16 1 1 A 77 77 GLU H H 77 7.951 8.194 -0.243 1
1 952 . 16 1 1 A 77 77 GLU HA H 77 4.227 3.966 0.261 1
1 957 . 16 1 1 A 77 77 GLU C C 77 178.403 178.940 -0.537 1
1 958 . 16 1 1 A 77 77 GLU CA C 77 58.892 59.986 -1.094 1
1 959 . 16 1 1 A 77 77 GLU CB C 77 28.925 29.204 -0.279 1
1 961 . 16 1 1 A 77 77 GLU N N 77 119.306 119.249 0.057 1
1 962 . 16 1 1 A 78 78 GLU H H 78 8.595 8.915 -0.320 1
1 963 . 16 1 1 A 78 78 GLU HA H 78 4.099 4.107 -0.008 1
1 968 . 16 1 1 A 78 78 GLU C C 78 180.586 178.000 2.586 1
1 969 . 16 1 1 A 78 78 GLU CA C 78 58.850 59.464 -0.614 1
1 970 . 16 1 1 A 78 78 GLU CB C 78 29.878 29.359 0.519 1
1 972 . 16 1 1 A 78 78 GLU N N 78 120.814 119.746 1.068 1
1 973 . 16 1 1 A 79 79 SER H H 79 7.519 7.793 -0.274 1
1 974 . 16 1 1 A 79 79 SER HA H 79 4.592 4.561 0.031 1
1 977 . 16 1 1 A 79 79 SER C C 79 177.761 173.357 4.404 1
1 978 . 16 1 1 A 79 79 SER CA C 79 58.324 57.984 0.340 1
1 979 . 16 1 1 A 79 79 SER CB C 79 63.796 63.211 0.585 1
1 980 . 16 1 1 A 79 79 SER N N 79 110.823 111.990 -1.167 1
1 981 . 16 1 1 A 80 80 ASN H H 80 8.126 8.042 0.084 1
1 982 . 16 1 1 A 80 80 ASN HA H 80 4.700 4.543 0.157 1
1 985 . 16 1 1 A 80 80 ASN C C 80 172.562 175.571 -3.009 1
1 986 . 16 1 1 A 80 80 ASN CA C 80 53.603 54.549 -0.946 1
1 987 . 16 1 1 A 80 80 ASN CB C 80 36.754 36.694 0.060 1
1 988 . 16 1 1 A 80 80 ASN N N 80 117.027 116.462 0.565 1
1 989 . 16 1 1 A 81 81 LEU H H 81 8.526 8.260 0.266 1
1 990 . 16 1 1 A 81 81 LEU HA H 81 4.767 4.541 0.226 1
1 1000 . 16 1 1 A 81 81 LEU C C 81 175.743 177.491 -1.748 1
1 1001 . 16 1 1 A 81 81 LEU CA C 81 54.008 54.717 -0.709 1
1 1002 . 16 1 1 A 81 81 LEU CB C 81 45.026 41.519 3.507 1
1 1006 . 16 1 1 A 81 81 LEU N N 81 114.910 117.470 -2.560 1
1 1007 . 16 1 1 A 82 82 THR H H 82 7.848 7.749 0.099 1
1 1008 . 16 1 1 A 82 82 THR HA H 82 4.117 3.963 0.154 1
1 1013 . 16 1 1 A 82 82 THR C C 82 176.676 176.591 0.085 1
1 1014 . 16 1 1 A 82 82 THR CA C 82 67.474 67.232 0.242 1
1 1015 . 16 1 1 A 82 82 THR CB C 82 68.235 68.388 -0.153 1
1 1017 . 16 1 1 A 82 82 THR N N 82 117.802 114.651 3.151 1
1 1018 . 16 1 1 A 83 83 GLU H H 83 8.335 8.198 0.137 1
1 1019 . 16 1 1 A 83 83 GLU HA H 83 3.915 3.959 -0.044 1
1 1024 . 16 1 1 A 83 83 GLU C C 83 175.177 179.099 -3.922 1
1 1025 . 16 1 1 A 83 83 GLU CA C 83 59.541 59.881 -0.340 1
1 1026 . 16 1 1 A 83 83 GLU CB C 83 27.819 29.445 -1.626 1
1 1028 . 16 1 1 A 83 83 GLU N N 83 118.314 120.395 -2.081 1
1 1029 . 16 1 1 A 84 84 TYR H H 84 8.043 8.257 -0.214 1
1 1030 . 16 1 1 A 84 84 TYR HA H 84 4.111 4.132 -0.021 1
1 1037 . 16 1 1 A 84 84 TYR C C 84 179.081 178.147 0.934 1
1 1038 . 16 1 1 A 84 84 TYR CA C 84 60.788 60.967 -0.179 1
1 1039 . 16 1 1 A 84 84 TYR CB C 84 37.753 38.960 -1.207 1
1 1040 . 16 1 1 A 84 84 TYR N N 84 121.386 122.234 -0.848 1
1 1041 . 16 1 1 A 85 85 MET H H 85 8.101 7.460 0.641 1
1 1042 . 16 1 1 A 85 85 MET HA H 85 4.259 4.480 -0.221 1
1 1047 . 16 1 1 A 85 85 MET C C 85 178.628 178.324 0.304 1
1 1048 . 16 1 1 A 85 85 MET CA C 85 55.244 57.956 -2.712 1
1 1049 . 16 1 1 A 85 85 MET CB C 85 29.597 33.148 -3.551 1
1 1051 . 16 1 1 A 85 85 MET N N 85 116.695 119.024 -2.329 1
1 1052 . 16 1 1 A 86 86 LYS H H 86 7.301 8.434 -1.133 1
1 1053 . 16 1 1 A 86 86 LYS HA H 86 3.937 3.970 -0.033 1
1 1062 . 16 1 1 A 86 86 LYS C C 86 175.934 177.632 -1.698 1
1 1063 . 16 1 1 A 86 86 LYS CA C 86 57.318 58.742 -1.424 1
1 1064 . 16 1 1 A 86 86 LYS CB C 86 32.956 31.938 1.018 1
1 1068 . 16 1 1 A 86 86 LYS N N 86 114.957 119.163 -4.206 1
1 1069 . 16 1 1 A 87 87 GLU H H 87 7.031 7.559 -0.528 1
1 1070 . 16 1 1 A 87 87 GLU HA H 87 4.185 4.153 0.032 1
1 1075 . 16 1 1 A 87 87 GLU C C 87 176.247 175.758 0.489 1
1 1076 . 16 1 1 A 87 87 GLU CA C 87 55.780 56.827 -1.047 1
1 1077 . 16 1 1 A 87 87 GLU CB C 87 29.358 30.425 -1.067 1
1 1079 . 16 1 1 A 87 87 GLU N N 87 119.315 119.995 -0.680 1
1 1080 . 16 1 1 A 88 88 LYS H H 88 8.466 8.934 -0.468 1
1 1081 . 16 1 1 A 88 88 LYS HA H 88 4.568 5.034 -0.466 1
1 1090 . 16 1 1 A 88 88 LYS C C 88 175.539 175.238 0.301 1
1 1091 . 16 1 1 A 88 88 LYS CA C 88 55.271 54.632 0.639 1
1 1092 . 16 1 1 A 88 88 LYS CB C 88 33.457 35.662 -2.205 1
1 1096 . 16 1 1 A 88 88 LYS N N 88 127.402 122.805 4.597 1
1 1097 . 16 1 1 A 89 89 ILE H H 89 8.752 8.454 0.298 1
1 1098 . 16 1 1 A 89 89 ILE HA H 89 4.249 4.486 -0.237 1
1 1108 . 16 1 1 A 89 89 ILE C C 89 176.471 175.487 0.984 1
1 1109 . 16 1 1 A 89 89 ILE CA C 89 59.014 60.040 -1.026 1
1 1110 . 16 1 1 A 89 89 ILE CB C 89 38.437 40.057 -1.620 1
1 1114 . 16 1 1 A 89 89 ILE N N 89 122.906 120.289 2.617 1
1 1115 . 16 1 1 A 90 90 LYS H H 90 8.394 8.743 -0.349 1
1 1116 . 16 1 1 A 90 90 LYS HA H 90 4.284 3.739 0.545 1
1 1125 . 16 1 1 A 90 90 LYS C C 90 175.276 175.616 -0.340 1
1 1126 . 16 1 1 A 90 90 LYS CA C 90 55.821 57.056 -1.235 1
1 1127 . 16 1 1 A 90 90 LYS CB C 90 31.860 30.355 1.505 1
1 1131 . 16 1 1 A 90 90 LYS N N 90 125.894 119.400 6.494 1
1 1132 . 16 1 1 A 91 91 ILE H H 91 8.141 7.930 0.211 1
1 1133 . 16 1 1 A 91 91 ILE HA H 91 4.165 4.096 0.069 1
1 1143 . 16 1 1 A 91 91 ILE C C 91 175.506 175.158 0.348 1
1 1144 . 16 1 1 A 91 91 ILE CA C 91 59.516 60.528 -1.012 1
1 1145 . 16 1 1 A 91 91 ILE CB C 91 37.991 37.895 0.096 1
1 1149 . 16 1 1 A 91 91 ILE N N 91 124.934 120.476 4.458 1
1 1150 . 16 1 1 A 92 92 ARG H H 92 8.488 8.633 -0.145 1
1 1151 . 16 1 1 A 92 92 ARG HA H 92 4.318 4.243 0.075 1
1 1158 . 16 1 1 A 92 92 ARG C C 92 175.508 176.068 -0.560 1
1 1159 . 16 1 1 A 92 92 ARG CA C 92 55.708 56.750 -1.042 1
1 1160 . 16 1 1 A 92 92 ARG CB C 92 30.394 30.382 0.012 1
1 1163 . 16 1 1 A 92 92 ARG N N 92 126.033 128.858 -2.825 1
1 1164 . 16 1 1 A 93 93 MET H H 93 8.362 8.712 -0.350 1
1 1165 . 16 1 1 A 93 93 MET C C 93 175.367 175.262 0.105 1
1 1166 . 16 1 1 A 93 93 MET CA C 93 52.994 56.018 -3.024 1
1 1167 . 16 1 1 A 93 93 MET CB C 93 32.271 31.458 0.813 1
1 1168 . 16 1 1 A 93 93 MET N N 93 123.282 121.650 1.632 1
1 1169 . 16 1 1 A 94 94 PRO HA H 94 4.505 4.503 0.002 1
1 1176 . 16 1 1 A 94 94 PRO CA C 94 62.884 63.160 -0.276 1
1 1177 . 16 1 1 A 94 94 PRO CB C 94 31.885 32.092 -0.207 1
1 1180 . 16 1 1 A 95 95 THR H H 95 8.180 8.434 -0.254 1
1 1181 . 16 1 1 A 95 95 THR HA H 95 4.320 3.994 0.326 1
1 1186 . 16 1 1 A 95 95 THR C C 95 176.463 175.111 1.352 1
1 1187 . 16 1 1 A 95 95 THR CA C 95 61.391 64.874 -3.483 1
1 1188 . 16 1 1 A 95 95 THR CB C 95 69.583 68.625 0.958 1
1 1190 . 16 1 1 A 95 95 THR N N 95 114.511 115.500 -0.989 1
1 1 . 17 1 1 A 2 2 PRO HA H 2 4.279 4.867 -0.588 1
1 8 . 17 1 1 A 2 2 PRO CA C 2 61.757 62.806 -1.049 1
1 9 . 17 1 1 A 2 2 PRO CB C 2 32.181 31.662 0.519 1
1 12 . 17 1 1 A 3 3 ALA H H 3 8.418 8.557 -0.139 1
1 13 . 17 1 1 A 3 3 ALA HA H 3 4.242 5.054 -0.812 1
1 17 . 17 1 1 A 3 3 ALA C C 3 171.733 176.025 -4.292 1
1 18 . 17 1 1 A 3 3 ALA CA C 3 53.120 50.340 2.780 1
1 19 . 17 1 1 A 3 3 ALA CB C 3 19.076 22.011 -2.935 1
1 20 . 17 1 1 A 3 3 ALA N N 3 122.573 126.163 -3.590 1
1 21 . 17 1 1 A 4 4 ILE H H 4 8.389 8.603 -0.214 1
1 22 . 17 1 1 A 4 4 ILE HA H 4 3.730 4.478 -0.748 1
1 32 . 17 1 1 A 4 4 ILE C C 4 177.391 175.591 1.800 1
1 33 . 17 1 1 A 4 4 ILE CA C 4 60.039 61.175 -1.136 1
1 34 . 17 1 1 A 4 4 ILE CB C 4 34.720 36.652 -1.932 1
1 38 . 17 1 1 A 4 4 ILE N N 4 119.283 122.797 -3.514 1
1 39 . 17 1 1 A 5 5 GLU H H 5 6.799 8.246 -1.447 1
1 40 . 17 1 1 A 5 5 GLU HA H 5 4.630 4.973 -0.343 1
1 45 . 17 1 1 A 5 5 GLU C C 5 173.009 175.586 -2.577 1
1 46 . 17 1 1 A 5 5 GLU CA C 5 53.474 54.312 -0.838 1
1 47 . 17 1 1 A 5 5 GLU CB C 5 32.091 34.312 -2.221 1
1 49 . 17 1 1 A 5 5 GLU N N 5 122.616 125.914 -3.298 1
1 50 . 17 1 1 A 6 6 VAL H H 6 8.899 8.518 0.381 1
1 51 . 17 1 1 A 6 6 VAL HA H 6 3.318 4.030 -0.712 1
1 59 . 17 1 1 A 6 6 VAL C C 6 174.172 176.508 -2.336 1
1 60 . 17 1 1 A 6 6 VAL CA C 6 65.581 63.219 2.362 1
1 61 . 17 1 1 A 6 6 VAL CB C 6 30.939 31.508 -0.569 1
1 64 . 17 1 1 A 6 6 VAL N N 6 122.205 121.935 0.270 1
1 65 . 17 1 1 A 7 7 GLY H H 7 9.478 nan 9.478 1
1 66 . 17 1 1 A 7 7 GLY HA2 H 7 5.016 3.976 1.040 1
1 67 . 17 1 1 A 7 7 GLY HA3 H 7 3.187 3.979 -0.792 1
1 68 . 17 1 1 A 7 7 GLY C C 7 176.688 173.917 2.771 1
1 69 . 17 1 1 A 7 7 GLY CA C 7 44.580 45.232 -0.652 1
1 70 . 17 1 1 A 7 7 GLY N N 7 115.742 114.789 0.953 1
1 71 . 17 1 1 A 8 8 ARG H H 8 8.128 7.640 0.488 1
1 72 . 17 1 1 A 8 8 ARG HA H 8 4.226 4.538 -0.312 1
1 79 . 17 1 1 A 8 8 ARG C C 8 173.667 175.700 -2.033 1
1 80 . 17 1 1 A 8 8 ARG CA C 8 54.906 55.046 -0.140 1
1 81 . 17 1 1 A 8 8 ARG CB C 8 29.331 31.349 -2.018 1
1 84 . 17 1 1 A 8 8 ARG N N 8 120.180 121.796 -1.616 1
1 85 . 17 1 1 A 9 9 ILE H H 9 8.571 8.515 0.056 1
1 86 . 17 1 1 A 9 9 ILE HA H 9 4.965 4.432 0.533 1
1 96 . 17 1 1 A 9 9 ILE C C 9 175.361 175.423 -0.062 1
1 97 . 17 1 1 A 9 9 ILE CA C 9 61.241 61.674 -0.433 1
1 98 . 17 1 1 A 9 9 ILE CB C 9 36.712 37.703 -0.991 1
1 102 . 17 1 1 A 9 9 ILE N N 9 129.626 126.464 3.162 1
1 103 . 17 1 1 A 10 10 CYS H H 10 9.614 9.535 0.079 1
1 104 . 17 1 1 A 10 10 CYS HA H 10 5.471 5.354 0.117 1
1 107 . 17 1 1 A 10 10 CYS C C 10 177.158 173.436 3.722 1
1 108 . 17 1 1 A 10 10 CYS CA C 10 57.088 56.866 0.222 1
1 109 . 17 1 1 A 10 10 CYS CB C 10 32.935 30.515 2.420 1
1 110 . 17 1 1 A 10 10 CYS N N 10 126.595 125.497 1.098 1
1 111 . 17 1 1 A 11 11 VAL H H 11 8.926 8.764 0.162 1
1 112 . 17 1 1 A 11 11 VAL HA H 11 4.351 4.996 -0.645 1
1 120 . 17 1 1 A 11 11 VAL C C 11 172.010 172.887 -0.877 1
1 121 . 17 1 1 A 11 11 VAL CA C 11 60.857 59.619 1.238 1
1 122 . 17 1 1 A 11 11 VAL CB C 11 33.989 35.847 -1.858 1
1 125 . 17 1 1 A 11 11 VAL N N 11 119.765 121.353 -1.588 1
1 126 . 17 1 1 A 12 12 LYS H H 12 8.961 8.940 0.021 1
1 127 . 17 1 1 A 12 12 LYS HA H 12 4.510 4.557 -0.047 1
1 136 . 17 1 1 A 12 12 LYS C C 12 175.625 177.191 -1.566 1
1 137 . 17 1 1 A 12 12 LYS CA C 12 56.422 55.817 0.605 1
1 138 . 17 1 1 A 12 12 LYS CB C 12 32.726 33.017 -0.291 1
1 142 . 17 1 1 A 12 12 LYS N N 12 127.967 127.903 0.064 1
1 143 . 17 1 1 A 13 13 VAL H H 13 8.522 8.756 -0.234 1
1 144 . 17 1 1 A 13 13 VAL HA H 13 4.518 4.143 0.375 1
1 152 . 17 1 1 A 13 13 VAL C C 13 176.284 175.904 0.380 1
1 153 . 17 1 1 A 13 13 VAL CA C 13 61.492 63.223 -1.731 1
1 154 . 17 1 1 A 13 13 VAL CB C 13 32.089 31.915 0.174 1
1 157 . 17 1 1 A 13 13 VAL N N 13 118.593 121.887 -3.294 1
1 158 . 17 1 1 A 14 14 LYS H H 14 7.310 7.775 -0.465 1
1 159 . 17 1 1 A 14 14 LYS HA H 14 4.580 4.755 -0.175 1
1 168 . 17 1 1 A 14 14 LYS C C 14 174.043 176.016 -1.973 1
1 169 . 17 1 1 A 14 14 LYS CA C 14 54.090 55.216 -1.126 1
1 170 . 17 1 1 A 14 14 LYS CB C 14 36.489 34.181 2.308 1
1 174 . 17 1 1 A 14 14 LYS N N 14 117.809 120.448 -2.639 1
1 175 . 17 1 1 A 15 15 GLY H H 15 8.548 nan 8.548 1
1 176 . 17 1 1 A 15 15 GLY HA2 H 15 4.264 4.085 0.179 1
1 177 . 17 1 1 A 15 15 GLY HA3 H 15 3.845 4.085 -0.240 1
1 178 . 17 1 1 A 15 15 GLY C C 15 175.166 174.365 0.801 1
1 179 . 17 1 1 A 15 15 GLY CA C 15 43.993 45.220 -1.227 1
1 180 . 17 1 1 A 15 15 GLY N N 15 108.732 112.195 -3.463 1
1 181 . 17 1 1 A 16 16 ARG H H 16 8.618 8.291 0.327 1
1 182 . 17 1 1 A 16 16 ARG HA H 16 4.082 4.264 -0.182 1
1 189 . 17 1 1 A 16 16 ARG C C 16 174.254 175.464 -1.210 1
1 190 . 17 1 1 A 16 16 ARG CA C 16 57.950 58.057 -0.107 1
1 191 . 17 1 1 A 16 16 ARG CB C 16 29.776 29.271 0.505 1
1 194 . 17 1 1 A 16 16 ARG N N 16 120.561 112.513 8.048 1
1 195 . 17 1 1 A 17 17 GLU H H 17 8.935 8.672 0.263 1
1 196 . 17 1 1 A 17 17 GLU HA H 17 4.190 4.070 0.120 1
1 201 . 17 1 1 A 17 17 GLU C C 17 177.426 176.939 0.487 1
1 202 . 17 1 1 A 17 17 GLU CA C 17 55.386 56.632 -1.246 1
1 203 . 17 1 1 A 17 17 GLU CB C 17 27.412 29.303 -1.891 1
1 205 . 17 1 1 A 17 17 GLU N N 17 115.930 123.095 -7.165 1
1 206 . 17 1 1 A 18 18 ALA H H 18 7.267 8.632 -1.365 1
1 207 . 17 1 1 A 18 18 ALA HA H 18 3.737 4.050 -0.313 1
1 211 . 17 1 1 A 18 18 ALA C C 18 174.969 178.075 -3.106 1
1 212 . 17 1 1 A 18 18 ALA CA C 18 53.272 53.357 -0.085 1
1 213 . 17 1 1 A 18 18 ALA CB C 18 17.382 17.489 -0.107 1
1 214 . 17 1 1 A 18 18 ALA N N 18 120.485 127.684 -7.199 1
1 215 . 17 1 1 A 19 19 GLY H H 19 9.424 nan 9.424 1
1 216 . 17 1 1 A 19 19 GLY HA2 H 19 4.680 3.872 0.808 1
1 217 . 17 1 1 A 19 19 GLY HA3 H 19 3.451 3.892 -0.441 1
1 218 . 17 1 1 A 19 19 GLY C C 19 178.386 173.943 4.443 1
1 219 . 17 1 1 A 19 19 GLY CA C 19 44.905 45.793 -0.888 1
1 220 . 17 1 1 A 19 19 GLY N N 19 112.194 105.982 6.212 1
1 221 . 17 1 1 A 20 20 SER H H 20 8.162 7.700 0.462 1
1 222 . 17 1 1 A 20 20 SER HA H 20 4.861 4.997 -0.136 1
1 225 . 17 1 1 A 20 20 SER C C 20 173.441 173.211 0.230 1
1 226 . 17 1 1 A 20 20 SER CA C 20 58.253 57.687 0.566 1
1 227 . 17 1 1 A 20 20 SER CB C 20 64.447 63.867 0.580 1
1 228 . 17 1 1 A 20 20 SER N N 20 115.207 115.757 -0.550 1
1 229 . 17 1 1 A 21 21 LYS H H 21 8.836 8.795 0.041 1
1 230 . 17 1 1 A 21 21 LYS HA H 21 5.369 5.349 0.020 1
1 239 . 17 1 1 A 21 21 LYS C C 21 172.859 174.687 -1.828 1
1 240 . 17 1 1 A 21 21 LYS CA C 21 55.508 54.622 0.886 1
1 241 . 17 1 1 A 21 21 LYS CB C 21 34.795 36.114 -1.319 1
1 245 . 17 1 1 A 21 21 LYS N N 21 121.269 124.871 -3.602 1
1 246 . 17 1 1 A 22 22 CYS H H 22 8.905 8.838 0.067 1
1 247 . 17 1 1 A 22 22 CYS HA H 22 5.527 5.127 0.400 1
1 250 . 17 1 1 A 22 22 CYS C C 22 174.204 172.614 1.590 1
1 251 . 17 1 1 A 22 22 CYS CA C 22 55.584 57.743 -2.159 1
1 252 . 17 1 1 A 22 22 CYS CB C 22 30.941 32.668 -1.727 1
1 253 . 17 1 1 A 22 22 CYS N N 22 110.073 119.720 -9.647 1
1 254 . 17 1 1 A 23 23 VAL H H 23 9.325 8.518 0.807 1
1 255 . 17 1 1 A 23 23 VAL HA H 23 4.761 5.038 -0.277 1
1 263 . 17 1 1 A 23 23 VAL C C 23 171.121 174.570 -3.449 1
1 264 . 17 1 1 A 23 23 VAL CA C 23 60.552 59.575 0.977 1
1 265 . 17 1 1 A 23 23 VAL CB C 23 35.141 34.305 0.836 1
1 268 . 17 1 1 A 23 23 VAL N N 23 119.042 120.930 -1.888 1
1 269 . 17 1 1 A 24 24 ILE H H 24 8.239 8.720 -0.481 1
1 270 . 17 1 1 A 24 24 ILE HA H 24 4.239 4.091 0.148 1
1 280 . 17 1 1 A 24 24 ILE C C 24 175.805 175.545 0.260 1
1 281 . 17 1 1 A 24 24 ILE CA C 24 62.552 61.619 0.933 1
1 282 . 17 1 1 A 24 24 ILE CB C 24 36.819 36.839 -0.020 1
1 286 . 17 1 1 A 24 24 ILE N N 24 124.259 128.844 -4.585 1
1 287 . 17 1 1 A 25 25 VAL H H 25 9.205 9.045 0.160 1
1 288 . 17 1 1 A 25 25 VAL HA H 25 4.689 3.998 0.691 1
1 296 . 17 1 1 A 25 25 VAL C C 25 175.650 175.681 -0.031 1
1 297 . 17 1 1 A 25 25 VAL CA C 25 60.947 64.153 -3.206 1
1 298 . 17 1 1 A 25 25 VAL CB C 25 32.986 32.659 0.327 1
1 301 . 17 1 1 A 25 25 VAL N N 25 121.805 129.491 -7.686 1
1 302 . 17 1 1 A 26 26 ASP H H 26 8.103 7.795 0.308 1
1 303 . 17 1 1 A 26 26 ASP HA H 26 4.771 5.136 -0.365 1
1 306 . 17 1 1 A 26 26 ASP C C 26 174.343 173.679 0.664 1
1 307 . 17 1 1 A 26 26 ASP CA C 26 53.671 53.352 0.319 1
1 308 . 17 1 1 A 26 26 ASP CB C 26 43.563 44.817 -1.254 1
1 309 . 17 1 1 A 26 26 ASP N N 26 118.459 117.343 1.116 1
1 310 . 17 1 1 A 27 27 ILE H H 27 9.092 9.057 0.035 1
1 311 . 17 1 1 A 27 27 ILE HA H 27 4.273 4.442 -0.169 1
1 321 . 17 1 1 A 27 27 ILE C C 27 173.976 175.515 -1.539 1
1 322 . 17 1 1 A 27 27 ILE CA C 27 60.306 60.629 -0.323 1
1 323 . 17 1 1 A 27 27 ILE CB C 27 38.339 38.569 -0.230 1
1 327 . 17 1 1 A 27 27 ILE N N 27 124.375 125.421 -1.046 1
1 328 . 17 1 1 A 28 28 ILE H H 28 8.055 8.788 -0.733 1
1 329 . 17 1 1 A 28 28 ILE HA H 28 3.986 4.097 -0.111 1
1 339 . 17 1 1 A 28 28 ILE C C 28 174.733 175.837 -1.104 1
1 340 . 17 1 1 A 28 28 ILE CA C 28 62.414 63.235 -0.821 1
1 341 . 17 1 1 A 28 28 ILE CB C 28 37.450 38.021 -0.571 1
1 345 . 17 1 1 A 28 28 ILE N N 28 127.525 129.313 -1.788 1
1 346 . 17 1 1 A 29 29 ASP H H 29 8.438 8.022 0.416 1
1 347 . 17 1 1 A 29 29 ASP HA H 29 4.522 4.888 -0.366 1
1 350 . 17 1 1 A 29 29 ASP C C 29 175.289 176.506 -1.217 1
1 351 . 17 1 1 A 29 29 ASP CA C 29 53.316 53.150 0.166 1
1 352 . 17 1 1 A 29 29 ASP CB C 29 39.450 42.352 -2.902 1
1 353 . 17 1 1 A 29 29 ASP N N 29 118.886 119.065 -0.179 1
1 354 . 17 1 1 A 30 30 ASP H H 30 8.140 8.765 -0.625 1
1 355 . 17 1 1 A 30 30 ASP HA H 30 4.375 4.365 0.010 1
1 358 . 17 1 1 A 30 30 ASP C C 30 174.332 177.246 -2.914 1
1 359 . 17 1 1 A 30 30 ASP CA C 30 56.171 56.941 -0.770 1
1 360 . 17 1 1 A 30 30 ASP CB C 30 40.302 40.981 -0.679 1
1 361 . 17 1 1 A 30 30 ASP N N 30 112.219 120.875 -8.656 1
1 362 . 17 1 1 A 31 31 ASN H H 31 8.866 8.081 0.785 1
1 363 . 17 1 1 A 31 31 ASN HA H 31 4.805 4.955 -0.150 1
1 366 . 17 1 1 A 31 31 ASN C C 31 175.926 175.397 0.529 1
1 367 . 17 1 1 A 31 31 ASN CA C 31 54.015 53.855 0.160 1
1 368 . 17 1 1 A 31 31 ASN CB C 31 42.366 40.351 2.015 1
1 369 . 17 1 1 A 31 31 ASN N N 31 114.650 115.433 -0.783 1
1 370 . 17 1 1 A 32 32 PHE H H 32 8.481 7.921 0.560 1
1 371 . 17 1 1 A 32 32 PHE HA H 32 5.279 4.908 0.371 1
1 376 . 17 1 1 A 32 32 PHE C C 32 173.451 175.360 -1.909 1
1 377 . 17 1 1 A 32 32 PHE CA C 32 57.629 57.453 0.176 1
1 378 . 17 1 1 A 32 32 PHE CB C 32 42.418 38.813 3.605 1
1 379 . 17 1 1 A 32 32 PHE N N 32 117.648 118.037 -0.389 1
1 380 . 17 1 1 A 33 33 VAL H H 33 8.680 9.028 -0.348 1
1 381 . 17 1 1 A 33 33 VAL HA H 33 4.720 5.023 -0.303 1
1 389 . 17 1 1 A 33 33 VAL C C 33 174.458 173.856 0.602 1
1 390 . 17 1 1 A 33 33 VAL CA C 33 58.331 59.386 -1.055 1
1 391 . 17 1 1 A 33 33 VAL CB C 33 34.410 34.720 -0.310 1
1 394 . 17 1 1 A 33 33 VAL N N 33 110.814 118.316 -7.502 1
1 395 . 17 1 1 A 34 34 LEU H H 34 8.696 9.102 -0.406 1
1 396 . 17 1 1 A 34 34 LEU HA H 34 4.871 5.122 -0.251 1
1 406 . 17 1 1 A 34 34 LEU C C 34 172.716 176.031 -3.315 1
1 407 . 17 1 1 A 34 34 LEU CA C 34 53.776 53.584 0.192 1
1 408 . 17 1 1 A 34 34 LEU CB C 34 44.582 43.672 0.910 1
1 412 . 17 1 1 A 34 34 LEU N N 34 123.160 125.096 -1.936 1
1 413 . 17 1 1 A 35 35 VAL H H 35 8.460 9.359 -0.899 1
1 414 . 17 1 1 A 35 35 VAL HA H 35 5.674 5.404 0.270 1
1 422 . 17 1 1 A 35 35 VAL C C 35 176.009 174.043 1.966 1
1 423 . 17 1 1 A 35 35 VAL CA C 35 57.423 59.574 -2.151 1
1 424 . 17 1 1 A 35 35 VAL CB C 35 35.541 34.986 0.555 1
1 427 . 17 1 1 A 35 35 VAL N N 35 119.184 121.393 -2.209 1
1 428 . 17 1 1 A 36 36 THR H H 36 8.362 8.334 0.028 1
1 429 . 17 1 1 A 36 36 THR HA H 36 4.535 5.237 -0.702 1
1 434 . 17 1 1 A 36 36 THR C C 36 173.498 172.922 0.576 1
1 435 . 17 1 1 A 36 36 THR CA C 36 59.643 59.851 -0.208 1
1 436 . 17 1 1 A 36 36 THR CB C 36 70.439 71.550 -1.111 1
1 438 . 17 1 1 A 36 36 THR N N 36 109.151 116.291 -7.140 1
1 439 . 17 1 1 A 37 37 GLY H H 37 7.571 nan 7.571 1
1 440 . 17 1 1 A 37 37 GLY C C 37 172.460 173.007 -0.547 1
1 441 . 17 1 1 A 37 37 GLY CA C 37 51.421 45.241 6.180 1
1 442 . 17 1 1 A 37 37 GLY N N 37 115.474 113.880 1.594 1
1 443 . 17 1 1 A 38 38 PRO HA H 38 5.235 4.875 0.360 1
1 450 . 17 1 1 A 38 38 PRO CA C 38 60.459 63.223 -2.764 1
1 451 . 17 1 1 A 38 38 PRO CB C 38 35.517 32.266 3.251 1
1 454 . 17 1 1 A 39 39 LYS H H 39 9.463 8.872 0.591 1
1 455 . 17 1 1 A 39 39 LYS HA H 39 3.545 3.907 -0.362 1
1 464 . 17 1 1 A 39 39 LYS C C 39 179.019 177.932 1.087 1
1 465 . 17 1 1 A 39 39 LYS CA C 39 60.344 59.689 0.655 1
1 466 . 17 1 1 A 39 39 LYS CB C 39 31.826 32.322 -0.496 1
1 470 . 17 1 1 A 39 39 LYS N N 39 127.869 124.976 2.893 1
1 471 . 17 1 1 A 40 40 ASP H H 40 9.035 8.153 0.882 1
1 472 . 17 1 1 A 40 40 ASP HA H 40 4.375 4.525 -0.150 1
1 475 . 17 1 1 A 40 40 ASP C C 40 177.615 176.409 1.206 1
1 476 . 17 1 1 A 40 40 ASP CA C 40 55.080 55.624 -0.544 1
1 477 . 17 1 1 A 40 40 ASP CB C 40 39.209 40.908 -1.699 1
1 478 . 17 1 1 A 40 40 ASP N N 40 115.744 118.004 -2.260 1
1 479 . 17 1 1 A 41 41 ILE H H 41 7.739 7.546 0.193 1
1 480 . 17 1 1 A 41 41 ILE HA H 41 4.218 4.196 0.022 1
1 490 . 17 1 1 A 41 41 ILE C C 41 174.826 176.987 -2.161 1
1 491 . 17 1 1 A 41 41 ILE CA C 41 61.664 62.753 -1.089 1
1 492 . 17 1 1 A 41 41 ILE CB C 41 37.453 39.078 -1.625 1
1 496 . 17 1 1 A 41 41 ILE N N 41 116.447 117.041 -0.594 1
1 497 . 17 1 1 A 42 42 THR H H 42 7.766 7.932 -0.166 1
1 498 . 17 1 1 A 42 42 THR HA H 42 4.734 4.266 0.468 1
1 503 . 17 1 1 A 42 42 THR C C 42 175.827 175.289 0.538 1
1 504 . 17 1 1 A 42 42 THR CA C 42 60.110 64.079 -3.969 1
1 505 . 17 1 1 A 42 42 THR CB C 42 71.791 69.255 2.536 1
1 507 . 17 1 1 A 42 42 THR N N 42 104.054 112.290 -8.236 1
1 508 . 17 1 1 A 43 43 GLY H H 43 7.844 nan 7.844 1
1 509 . 17 1 1 A 43 43 GLY HA2 H 43 4.461 3.933 0.528 1
1 510 . 17 1 1 A 43 43 GLY HA3 H 43 3.836 3.935 -0.099 1
1 511 . 17 1 1 A 43 43 GLY C C 43 175.208 174.284 0.924 1
1 512 . 17 1 1 A 43 43 GLY CA C 43 44.826 46.713 -1.887 1
1 513 . 17 1 1 A 43 43 GLY N N 43 109.006 109.749 -0.743 1
1 514 . 17 1 1 A 44 44 VAL H H 44 7.289 7.765 -0.476 1
1 515 . 17 1 1 A 44 44 VAL HA H 44 3.945 4.205 -0.260 1
1 523 . 17 1 1 A 44 44 VAL C C 44 173.149 175.745 -2.596 1
1 524 . 17 1 1 A 44 44 VAL CA C 44 62.902 63.540 -0.638 1
1 525 . 17 1 1 A 44 44 VAL CB C 44 31.715 32.035 -0.320 1
1 528 . 17 1 1 A 44 44 VAL N N 44 120.903 117.144 3.759 1
1 529 . 17 1 1 A 45 45 LYS H H 45 8.308 7.497 0.811 1
1 530 . 17 1 1 A 45 45 LYS HA H 45 4.190 4.662 -0.472 1
1 539 . 17 1 1 A 45 45 LYS C C 45 175.177 174.222 0.955 1
1 540 . 17 1 1 A 45 45 LYS CA C 45 56.355 55.702 0.653 1
1 541 . 17 1 1 A 45 45 LYS CB C 45 33.385 35.634 -2.249 1
1 545 . 17 1 1 A 45 45 LYS N N 45 128.406 117.168 11.238 1
1 546 . 17 1 1 A 46 46 ARG H H 46 8.080 8.535 -0.455 1
1 547 . 17 1 1 A 46 46 ARG HA H 46 5.720 5.415 0.305 1
1 554 . 17 1 1 A 46 46 ARG C C 46 173.780 174.648 -0.868 1
1 555 . 17 1 1 A 46 46 ARG CA C 46 54.888 54.348 0.540 1
1 556 . 17 1 1 A 46 46 ARG CB C 46 29.630 34.149 -4.519 1
1 559 . 17 1 1 A 46 46 ARG N N 46 120.129 120.616 -0.487 1
1 560 . 17 1 1 A 47 47 ARG H H 47 8.452 8.936 -0.484 1
1 561 . 17 1 1 A 47 47 ARG HA H 47 4.732 5.056 -0.324 1
1 568 . 17 1 1 A 47 47 ARG C C 47 176.138 174.482 1.656 1
1 569 . 17 1 1 A 47 47 ARG CA C 47 54.319 54.825 -0.506 1
1 570 . 17 1 1 A 47 47 ARG CB C 47 33.746 33.069 0.677 1
1 573 . 17 1 1 A 47 47 ARG N N 47 126.780 118.491 8.289 1
1 574 . 17 1 1 A 48 48 ARG H H 48 8.546 8.483 0.063 1
1 575 . 17 1 1 A 48 48 ARG HA H 48 5.111 5.382 -0.271 1
1 582 . 17 1 1 A 48 48 ARG C C 48 174.339 175.395 -1.056 1
1 583 . 17 1 1 A 48 48 ARG CA C 48 55.524 55.691 -0.167 1
1 584 . 17 1 1 A 48 48 ARG CB C 48 31.132 32.148 -1.016 1
1 587 . 17 1 1 A 48 48 ARG N N 48 121.931 121.033 0.898 1
1 588 . 17 1 1 A 49 49 VAL H H 49 9.485 9.113 0.372 1
1 589 . 17 1 1 A 49 49 VAL HA H 49 4.651 4.800 -0.149 1
1 597 . 17 1 1 A 49 49 VAL C C 49 176.112 173.734 2.378 1
1 598 . 17 1 1 A 49 49 VAL CA C 49 60.040 59.779 0.261 1
1 599 . 17 1 1 A 49 49 VAL CB C 49 36.427 35.539 0.888 1
1 602 . 17 1 1 A 49 49 VAL N N 49 122.891 119.918 2.973 1
1 603 . 17 1 1 A 50 50 ASN H H 50 8.569 8.525 0.044 1
1 604 . 17 1 1 A 50 50 ASN HA H 50 4.213 5.060 -0.847 1
1 607 . 17 1 1 A 50 50 ASN C C 50 173.258 174.643 -1.385 1
1 608 . 17 1 1 A 50 50 ASN CA C 50 52.732 51.777 0.955 1
1 609 . 17 1 1 A 50 50 ASN CB C 50 38.173 38.342 -0.169 1
1 610 . 17 1 1 A 50 50 ASN N N 50 125.736 123.842 1.894 1
1 611 . 17 1 1 A 51 51 ILE H H 51 8.601 7.953 0.648 1
1 612 . 17 1 1 A 51 51 ILE HA H 51 3.632 4.210 -0.578 1
1 622 . 17 1 1 A 51 51 ILE C C 51 176.785 175.469 1.316 1
1 623 . 17 1 1 A 51 51 ILE CA C 51 65.046 60.671 4.375 1
1 624 . 17 1 1 A 51 51 ILE CB C 51 38.532 36.878 1.654 1
1 628 . 17 1 1 A 51 51 ILE N N 51 126.454 120.713 5.741 1
1 629 . 17 1 1 A 52 52 LEU H H 52 8.448 8.695 -0.247 1
1 630 . 17 1 1 A 52 52 LEU HA H 52 4.290 4.472 -0.182 1
1 640 . 17 1 1 A 52 52 LEU C C 52 176.765 177.658 -0.893 1
1 641 . 17 1 1 A 52 52 LEU CA C 52 55.880 56.416 -0.536 1
1 642 . 17 1 1 A 52 52 LEU CB C 52 40.983 44.067 -3.084 1
1 646 . 17 1 1 A 52 52 LEU N N 52 118.365 127.333 -8.968 1
1 647 . 17 1 1 A 53 53 HIS H H 53 8.358 7.909 0.449 1
1 648 . 17 1 1 A 53 53 HIS HA H 53 4.621 4.802 -0.181 1
1 651 . 17 1 1 A 53 53 HIS C C 53 178.018 173.885 4.133 1
1 652 . 17 1 1 A 53 53 HIS CA C 53 53.996 55.739 -1.743 1
1 653 . 17 1 1 A 53 53 HIS CB C 53 30.306 30.500 -0.194 1
1 654 . 17 1 1 A 53 53 HIS N N 53 116.672 115.193 1.479 1
1 655 . 17 1 1 A 54 54 LEU H H 54 7.693 7.665 0.028 1
1 656 . 17 1 1 A 54 54 LEU HA H 54 5.222 4.805 0.417 1
1 666 . 17 1 1 A 54 54 LEU C C 54 173.609 175.504 -1.895 1
1 667 . 17 1 1 A 54 54 LEU CA C 54 52.932 53.233 -0.301 1
1 668 . 17 1 1 A 54 54 LEU CB C 54 45.943 44.208 1.735 1
1 672 . 17 1 1 A 54 54 LEU N N 54 119.311 120.465 -1.154 1
1 673 . 17 1 1 A 55 55 GLU H H 55 9.073 8.592 0.481 1
1 674 . 17 1 1 A 55 55 GLU C C 55 175.102 174.282 0.820 1
1 675 . 17 1 1 A 55 55 GLU CA C 55 52.073 52.343 -0.270 1
1 676 . 17 1 1 A 55 55 GLU CB C 55 31.958 31.218 0.740 1
1 677 . 17 1 1 A 55 55 GLU N N 55 120.139 123.492 -3.353 1
1 678 . 17 1 1 A 56 56 PRO HA H 56 4.903 4.867 0.036 1
1 685 . 17 1 1 A 56 56 PRO CA C 56 63.121 62.680 0.441 1
1 686 . 17 1 1 A 56 56 PRO CB C 56 32.274 31.941 0.333 1
1 689 . 17 1 1 A 57 57 THR H H 57 8.502 8.512 -0.010 1
1 690 . 17 1 1 A 57 57 THR HA H 57 4.932 4.526 0.406 1
1 695 . 17 1 1 A 57 57 THR C C 57 175.894 175.305 0.589 1
1 696 . 17 1 1 A 57 57 THR CA C 57 60.602 60.546 0.056 1
1 697 . 17 1 1 A 57 57 THR CB C 57 71.821 71.694 0.127 1
1 699 . 17 1 1 A 57 57 THR N N 57 113.388 112.901 0.487 1
1 700 . 17 1 1 A 58 58 ASP H H 58 8.605 8.637 -0.032 1
1 701 . 17 1 1 A 58 58 ASP HA H 58 4.445 4.506 -0.061 1
1 704 . 17 1 1 A 58 58 ASP C C 58 173.673 176.149 -2.476 1
1 705 . 17 1 1 A 58 58 ASP CA C 58 53.743 54.814 -1.071 1
1 706 . 17 1 1 A 58 58 ASP CB C 58 39.622 41.210 -1.588 1
1 707 . 17 1 1 A 58 58 ASP N N 58 115.340 118.394 -3.054 1
1 708 . 17 1 1 A 59 59 LYS H H 59 8.544 7.745 0.799 1
1 709 . 17 1 1 A 59 59 LYS HA H 59 4.646 4.441 0.205 1
1 718 . 17 1 1 A 59 59 LYS C C 59 174.972 175.903 -0.931 1
1 719 . 17 1 1 A 59 59 LYS CA C 59 54.336 56.034 -1.698 1
1 720 . 17 1 1 A 59 59 LYS CB C 59 34.626 33.397 1.229 1
1 724 . 17 1 1 A 59 59 LYS N N 59 119.488 120.574 -1.086 1
1 725 . 17 1 1 A 60 60 LYS H H 60 8.227 8.915 -0.688 1
1 726 . 17 1 1 A 60 60 LYS HA H 60 4.999 4.990 0.009 1
1 735 . 17 1 1 A 60 60 LYS C C 60 174.256 175.095 -0.839 1
1 736 . 17 1 1 A 60 60 LYS CA C 60 54.465 54.474 -0.009 1
1 737 . 17 1 1 A 60 60 LYS CB C 60 36.153 36.234 -0.081 1
1 741 . 17 1 1 A 60 60 LYS N N 60 121.112 119.145 1.967 1
1 742 . 17 1 1 A 61 61 ILE H H 61 8.527 8.510 0.017 1
1 743 . 17 1 1 A 61 61 ILE HA H 61 4.724 4.723 0.001 1
1 753 . 17 1 1 A 61 61 ILE C C 61 174.330 174.334 -0.004 1
1 754 . 17 1 1 A 61 61 ILE CA C 61 58.831 59.663 -0.832 1
1 755 . 17 1 1 A 61 61 ILE CB C 61 41.357 39.361 1.996 1
1 759 . 17 1 1 A 61 61 ILE N N 61 116.027 118.675 -2.648 1
1 760 . 17 1 1 A 62 62 ASP H H 62 8.513 8.787 -0.274 1
1 761 . 17 1 1 A 62 62 ASP HA H 62 4.732 4.730 0.002 1
1 764 . 17 1 1 A 62 62 ASP C C 62 174.224 175.259 -1.035 1
1 765 . 17 1 1 A 62 62 ASP CA C 62 53.163 53.010 0.153 1
1 766 . 17 1 1 A 62 62 ASP CB C 62 39.686 39.304 0.382 1
1 767 . 17 1 1 A 62 62 ASP N N 62 121.643 123.515 -1.872 1
1 768 . 17 1 1 A 63 63 ILE H H 63 7.389 7.518 -0.129 1
1 769 . 17 1 1 A 63 63 ILE HA H 63 4.641 4.482 0.159 1
1 779 . 17 1 1 A 63 63 ILE C C 63 174.484 175.667 -1.183 1
1 780 . 17 1 1 A 63 63 ILE CA C 63 58.244 59.529 -1.285 1
1 781 . 17 1 1 A 63 63 ILE CB C 63 41.811 39.000 2.811 1
1 785 . 17 1 1 A 63 63 ILE N N 63 114.509 117.532 -3.023 1
1 786 . 17 1 1 A 64 64 GLN H H 64 8.529 8.522 0.007 1
1 787 . 17 1 1 A 64 64 GLN HA H 64 4.390 4.873 -0.483 1
1 792 . 17 1 1 A 64 64 GLN C C 64 174.409 174.795 -0.386 1
1 793 . 17 1 1 A 64 64 GLN CA C 64 53.860 53.790 0.070 1
1 794 . 17 1 1 A 64 64 GLN CB C 64 30.086 32.468 -2.382 1
1 796 . 17 1 1 A 64 64 GLN N N 64 119.145 119.702 -0.557 1
1 797 . 17 1 1 A 65 65 LYS H H 65 8.323 8.513 -0.190 1
1 798 . 17 1 1 A 65 65 LYS HA H 65 4.132 4.013 0.119 1
1 807 . 17 1 1 A 65 65 LYS C C 65 174.920 177.537 -2.617 1
1 808 . 17 1 1 A 65 65 LYS CA C 65 57.603 58.260 -0.657 1
1 809 . 17 1 1 A 65 65 LYS CB C 65 32.341 32.080 0.261 1
1 813 . 17 1 1 A 65 65 LYS N N 65 119.780 122.063 -2.283 1
1 814 . 17 1 1 A 66 66 GLY H H 66 9.313 nan 9.313 1
1 815 . 17 1 1 A 66 66 GLY HA2 H 66 4.093 3.949 0.144 1
1 816 . 17 1 1 A 66 66 GLY HA3 H 66 3.297 3.951 -0.654 1
1 817 . 17 1 1 A 66 66 GLY C C 66 177.892 174.709 3.183 1
1 818 . 17 1 1 A 66 66 GLY CA C 66 44.953 46.289 -1.336 1
1 819 . 17 1 1 A 66 66 GLY N N 66 112.449 114.403 -1.954 1
1 820 . 17 1 1 A 67 67 ALA H H 67 7.545 7.984 -0.439 1
1 821 . 17 1 1 A 67 67 ALA HA H 67 4.081 4.418 -0.337 1
1 825 . 17 1 1 A 67 67 ALA C C 67 173.517 177.310 -3.793 1
1 826 . 17 1 1 A 67 67 ALA CA C 67 52.802 51.270 1.532 1
1 827 . 17 1 1 A 67 67 ALA CB C 67 20.424 20.212 0.212 1
1 828 . 17 1 1 A 67 67 ALA N N 67 121.516 123.905 -2.389 1
1 829 . 17 1 1 A 68 68 SER H H 68 8.904 8.779 0.125 1
1 830 . 17 1 1 A 68 68 SER HA H 68 4.261 4.688 -0.427 1
1 833 . 17 1 1 A 68 68 SER C C 68 177.019 175.011 2.008 1
1 834 . 17 1 1 A 68 68 SER CA C 68 57.321 57.520 -0.199 1
1 835 . 17 1 1 A 68 68 SER CB C 68 65.064 65.174 -0.110 1
1 836 . 17 1 1 A 68 68 SER N N 68 119.470 118.131 1.339 1
1 837 . 17 1 1 A 69 69 ASP H H 69 9.379 8.945 0.434 1
1 838 . 17 1 1 A 69 69 ASP HA H 69 4.184 4.291 -0.107 1
1 841 . 17 1 1 A 69 69 ASP C C 69 173.831 178.035 -4.204 1
1 842 . 17 1 1 A 69 69 ASP CA C 69 57.843 57.641 0.202 1
1 843 . 17 1 1 A 69 69 ASP CB C 69 39.367 40.402 -1.035 1
1 844 . 17 1 1 A 69 69 ASP N N 69 122.205 121.774 0.431 1
1 845 . 17 1 1 A 70 70 GLU H H 70 8.454 8.283 0.171 1
1 846 . 17 1 1 A 70 70 GLU HA H 70 3.966 4.046 -0.080 1
1 851 . 17 1 1 A 70 70 GLU C C 70 177.979 179.228 -1.249 1
1 852 . 17 1 1 A 70 70 GLU CA C 70 59.987 59.704 0.283 1
1 853 . 17 1 1 A 70 70 GLU CB C 70 28.804 29.449 -0.645 1
1 855 . 17 1 1 A 70 70 GLU N N 70 118.426 118.895 -0.469 1
1 856 . 17 1 1 A 71 71 GLU H H 71 7.835 7.967 -0.132 1
1 857 . 17 1 1 A 71 71 GLU HA H 71 4.050 4.175 -0.125 1
1 862 . 17 1 1 A 71 71 GLU C C 71 178.486 179.099 -0.613 1
1 863 . 17 1 1 A 71 71 GLU CA C 71 58.998 58.914 0.084 1
1 864 . 17 1 1 A 71 71 GLU CB C 71 29.068 29.623 -0.555 1
1 866 . 17 1 1 A 71 71 GLU N N 71 122.166 120.342 1.824 1
1 867 . 17 1 1 A 72 72 VAL H H 72 8.387 8.142 0.245 1
1 868 . 17 1 1 A 72 72 VAL HA H 72 3.295 3.488 -0.193 1
1 876 . 17 1 1 A 72 72 VAL C C 72 178.603 177.443 1.160 1
1 877 . 17 1 1 A 72 72 VAL CA C 72 66.989 67.163 -0.174 1
1 878 . 17 1 1 A 72 72 VAL CB C 72 31.242 31.543 -0.301 1
1 881 . 17 1 1 A 72 72 VAL N N 72 118.871 120.000 -1.129 1
1 882 . 17 1 1 A 73 73 LYS H H 73 8.619 8.694 -0.075 1
1 883 . 17 1 1 A 73 73 LYS HA H 73 3.734 4.040 -0.306 1
1 892 . 17 1 1 A 73 73 LYS C C 73 177.118 178.934 -1.816 1
1 893 . 17 1 1 A 73 73 LYS CA C 73 60.695 59.267 1.428 1
1 894 . 17 1 1 A 73 73 LYS CB C 73 32.320 32.470 -0.150 1
1 898 . 17 1 1 A 73 73 LYS N N 73 118.351 119.744 -1.393 1
1 899 . 17 1 1 A 74 74 LYS H H 74 7.886 8.043 -0.157 1
1 900 . 17 1 1 A 74 74 LYS HA H 74 4.133 4.002 0.131 1
1 909 . 17 1 1 A 74 74 LYS C C 74 178.306 179.164 -0.858 1
1 910 . 17 1 1 A 74 74 LYS CA C 74 58.954 59.756 -0.802 1
1 911 . 17 1 1 A 74 74 LYS CB C 74 31.974 32.507 -0.533 1
1 915 . 17 1 1 A 74 74 LYS N N 74 118.808 119.208 -0.400 1
1 916 . 17 1 1 A 75 75 LYS H H 75 8.118 8.307 -0.189 1
1 917 . 17 1 1 A 75 75 LYS HA H 75 4.228 4.202 0.026 1
1 926 . 17 1 1 A 75 75 LYS C C 75 178.795 178.865 -0.070 1
1 927 . 17 1 1 A 75 75 LYS CA C 75 57.158 58.891 -1.733 1
1 928 . 17 1 1 A 75 75 LYS CB C 75 31.382 32.194 -0.812 1
1 932 . 17 1 1 A 75 75 LYS N N 75 118.374 119.443 -1.069 1
1 933 . 17 1 1 A 76 76 LEU H H 76 8.778 8.754 0.024 1
1 934 . 17 1 1 A 76 76 LEU HA H 76 3.931 3.974 -0.043 1
1 944 . 17 1 1 A 76 76 LEU C C 76 180.241 179.749 0.492 1
1 945 . 17 1 1 A 76 76 LEU CA C 76 58.203 58.123 0.080 1
1 946 . 17 1 1 A 76 76 LEU CB C 76 42.015 41.575 0.440 1
1 950 . 17 1 1 A 76 76 LEU N N 76 121.253 119.553 1.700 1
1 951 . 17 1 1 A 77 77 GLU H H 77 7.951 8.016 -0.065 1
1 952 . 17 1 1 A 77 77 GLU HA H 77 4.227 4.000 0.227 1
1 957 . 17 1 1 A 77 77 GLU C C 77 178.403 178.521 -0.118 1
1 958 . 17 1 1 A 77 77 GLU CA C 77 58.892 59.340 -0.448 1
1 959 . 17 1 1 A 77 77 GLU CB C 77 28.925 29.417 -0.492 1
1 961 . 17 1 1 A 77 77 GLU N N 77 119.306 120.308 -1.002 1
1 962 . 17 1 1 A 78 78 GLU H H 78 8.595 8.777 -0.182 1
1 963 . 17 1 1 A 78 78 GLU HA H 78 4.099 4.137 -0.038 1
1 968 . 17 1 1 A 78 78 GLU C C 78 180.586 178.578 2.008 1
1 969 . 17 1 1 A 78 78 GLU CA C 78 58.850 59.604 -0.754 1
1 970 . 17 1 1 A 78 78 GLU CB C 78 29.878 29.208 0.670 1
1 972 . 17 1 1 A 78 78 GLU N N 78 120.814 119.720 1.094 1
1 973 . 17 1 1 A 79 79 SER H H 79 7.519 8.325 -0.806 1
1 974 . 17 1 1 A 79 79 SER HA H 79 4.592 4.530 0.062 1
1 977 . 17 1 1 A 79 79 SER C C 79 177.761 173.170 4.591 1
1 978 . 17 1 1 A 79 79 SER CA C 79 58.324 58.269 0.055 1
1 979 . 17 1 1 A 79 79 SER CB C 79 63.796 63.385 0.411 1
1 980 . 17 1 1 A 79 79 SER N N 79 110.823 112.758 -1.935 1
1 981 . 17 1 1 A 80 80 ASN H H 80 8.126 8.002 0.124 1
1 982 . 17 1 1 A 80 80 ASN HA H 80 4.700 4.446 0.254 1
1 985 . 17 1 1 A 80 80 ASN C C 80 172.562 175.410 -2.848 1
1 986 . 17 1 1 A 80 80 ASN CA C 80 53.603 54.585 -0.982 1
1 987 . 17 1 1 A 80 80 ASN CB C 80 36.754 36.405 0.349 1
1 988 . 17 1 1 A 80 80 ASN N N 80 117.027 116.454 0.573 1
1 989 . 17 1 1 A 81 81 LEU H H 81 8.526 8.586 -0.060 1
1 990 . 17 1 1 A 81 81 LEU HA H 81 4.767 4.690 0.077 1
1 1000 . 17 1 1 A 81 81 LEU C C 81 175.743 177.440 -1.697 1
1 1001 . 17 1 1 A 81 81 LEU CA C 81 54.008 54.370 -0.362 1
1 1002 . 17 1 1 A 81 81 LEU CB C 81 45.026 43.368 1.658 1
1 1006 . 17 1 1 A 81 81 LEU N N 81 114.910 116.636 -1.726 1
1 1007 . 17 1 1 A 82 82 THR H H 82 7.848 7.602 0.246 1
1 1008 . 17 1 1 A 82 82 THR HA H 82 4.117 4.056 0.061 1
1 1013 . 17 1 1 A 82 82 THR C C 82 176.676 176.821 -0.145 1
1 1014 . 17 1 1 A 82 82 THR CA C 82 67.474 65.383 2.091 1
1 1015 . 17 1 1 A 82 82 THR CB C 82 68.235 68.624 -0.389 1
1 1017 . 17 1 1 A 82 82 THR N N 82 117.802 115.362 2.440 1
1 1018 . 17 1 1 A 83 83 GLU H H 83 8.335 8.345 -0.010 1
1 1019 . 17 1 1 A 83 83 GLU HA H 83 3.915 3.930 -0.015 1
1 1024 . 17 1 1 A 83 83 GLU C C 83 175.177 179.232 -4.055 1
1 1025 . 17 1 1 A 83 83 GLU CA C 83 59.541 59.907 -0.366 1
1 1026 . 17 1 1 A 83 83 GLU CB C 83 27.819 29.764 -1.945 1
1 1028 . 17 1 1 A 83 83 GLU N N 83 118.314 120.730 -2.416 1
1 1029 . 17 1 1 A 84 84 TYR H H 84 8.043 8.400 -0.357 1
1 1030 . 17 1 1 A 84 84 TYR HA H 84 4.111 4.131 -0.020 1
1 1037 . 17 1 1 A 84 84 TYR C C 84 179.081 177.604 1.477 1
1 1038 . 17 1 1 A 84 84 TYR CA C 84 60.788 61.079 -0.291 1
1 1039 . 17 1 1 A 84 84 TYR CB C 84 37.753 38.655 -0.902 1
1 1040 . 17 1 1 A 84 84 TYR N N 84 121.386 122.193 -0.807 1
1 1041 . 17 1 1 A 85 85 MET H H 85 8.101 7.924 0.177 1
1 1042 . 17 1 1 A 85 85 MET HA H 85 4.259 4.428 -0.169 1
1 1047 . 17 1 1 A 85 85 MET C C 85 178.628 177.553 1.075 1
1 1048 . 17 1 1 A 85 85 MET CA C 85 55.244 57.228 -1.984 1
1 1049 . 17 1 1 A 85 85 MET CB C 85 29.597 31.794 -2.197 1
1 1051 . 17 1 1 A 85 85 MET N N 85 116.695 117.411 -0.716 1
1 1052 . 17 1 1 A 86 86 LYS H H 86 7.301 7.993 -0.692 1
1 1053 . 17 1 1 A 86 86 LYS HA H 86 3.937 4.264 -0.327 1
1 1062 . 17 1 1 A 86 86 LYS C C 86 175.934 176.813 -0.879 1
1 1063 . 17 1 1 A 86 86 LYS CA C 86 57.318 57.989 -0.671 1
1 1064 . 17 1 1 A 86 86 LYS CB C 86 32.956 33.398 -0.442 1
1 1068 . 17 1 1 A 86 86 LYS N N 86 114.957 119.387 -4.430 1
1 1069 . 17 1 1 A 87 87 GLU H H 87 7.031 8.140 -1.109 1
1 1070 . 17 1 1 A 87 87 GLU HA H 87 4.185 3.979 0.206 1
1 1075 . 17 1 1 A 87 87 GLU C C 87 176.247 176.819 -0.572 1
1 1076 . 17 1 1 A 87 87 GLU CA C 87 55.780 57.799 -2.019 1
1 1077 . 17 1 1 A 87 87 GLU CB C 87 29.358 29.546 -0.188 1
1 1079 . 17 1 1 A 87 87 GLU N N 87 119.315 119.839 -0.524 1
1 1080 . 17 1 1 A 88 88 LYS H H 88 8.466 8.830 -0.364 1
1 1081 . 17 1 1 A 88 88 LYS HA H 88 4.568 4.015 0.553 1
1 1090 . 17 1 1 A 88 88 LYS C C 88 175.539 174.550 0.989 1
1 1091 . 17 1 1 A 88 88 LYS CA C 88 55.271 57.003 -1.732 1
1 1092 . 17 1 1 A 88 88 LYS CB C 88 33.457 31.049 2.408 1
1 1096 . 17 1 1 A 88 88 LYS N N 88 127.402 125.877 1.525 1
1 1097 . 17 1 1 A 89 89 ILE H H 89 8.752 7.986 0.766 1
1 1098 . 17 1 1 A 89 89 ILE HA H 89 4.249 5.319 -1.070 1
1 1108 . 17 1 1 A 89 89 ILE C C 89 176.471 173.591 2.880 1
1 1109 . 17 1 1 A 89 89 ILE CA C 89 59.014 58.834 0.180 1
1 1110 . 17 1 1 A 89 89 ILE CB C 89 38.437 42.056 -3.619 1
1 1114 . 17 1 1 A 89 89 ILE N N 89 122.906 125.587 -2.681 1
1 1115 . 17 1 1 A 90 90 LYS H H 90 8.394 8.269 0.125 1
1 1116 . 17 1 1 A 90 90 LYS HA H 90 4.284 4.395 -0.111 1
1 1125 . 17 1 1 A 90 90 LYS C C 90 175.276 176.734 -1.458 1
1 1126 . 17 1 1 A 90 90 LYS CA C 90 55.821 56.586 -0.765 1
1 1127 . 17 1 1 A 90 90 LYS CB C 90 31.860 32.521 -0.661 1
1 1131 . 17 1 1 A 90 90 LYS N N 90 125.894 126.980 -1.086 1
1 1132 . 17 1 1 A 91 91 ILE H H 91 8.141 8.446 -0.305 1
1 1133 . 17 1 1 A 91 91 ILE HA H 91 4.165 3.939 0.226 1
1 1143 . 17 1 1 A 91 91 ILE C C 91 175.506 175.459 0.047 1
1 1144 . 17 1 1 A 91 91 ILE CA C 91 59.516 62.245 -2.729 1
1 1145 . 17 1 1 A 91 91 ILE CB C 91 37.991 37.630 0.361 1
1 1149 . 17 1 1 A 91 91 ILE N N 91 124.934 127.022 -2.088 1
1 1150 . 17 1 1 A 92 92 ARG H H 92 8.488 8.573 -0.085 1
1 1151 . 17 1 1 A 92 92 ARG HA H 92 4.318 4.713 -0.395 1
1 1158 . 17 1 1 A 92 92 ARG C C 92 175.508 174.586 0.922 1
1 1159 . 17 1 1 A 92 92 ARG CA C 92 55.708 55.131 0.577 1
1 1160 . 17 1 1 A 92 92 ARG CB C 92 30.394 32.953 -2.559 1
1 1163 . 17 1 1 A 92 92 ARG N N 92 126.033 128.720 -2.687 1
1 1164 . 17 1 1 A 93 93 MET H H 93 8.362 8.970 -0.608 1
1 1165 . 17 1 1 A 93 93 MET C C 93 175.367 174.573 0.794 1
1 1166 . 17 1 1 A 93 93 MET CA C 93 52.994 53.798 -0.804 1
1 1167 . 17 1 1 A 93 93 MET CB C 93 32.271 33.287 -1.016 1
1 1168 . 17 1 1 A 93 93 MET N N 93 123.282 127.546 -4.264 1
1 1169 . 17 1 1 A 94 94 PRO HA H 94 4.505 4.574 -0.069 1
1 1176 . 17 1 1 A 94 94 PRO CA C 94 62.884 62.909 -0.025 1
1 1177 . 17 1 1 A 94 94 PRO CB C 94 31.885 31.468 0.417 1
1 1180 . 17 1 1 A 95 95 THR H H 95 8.180 8.231 -0.051 1
1 1181 . 17 1 1 A 95 95 THR HA H 95 4.320 4.706 -0.386 1
1 1186 . 17 1 1 A 95 95 THR C C 95 176.463 173.745 2.718 1
1 1187 . 17 1 1 A 95 95 THR CA C 95 61.391 61.165 0.226 1
1 1188 . 17 1 1 A 95 95 THR CB C 95 69.583 68.353 1.230 1
1 1190 . 17 1 1 A 95 95 THR N N 95 114.511 113.612 0.899 1
1 1 . 18 1 1 A 2 2 PRO HA H 2 4.279 4.679 -0.400 1
1 8 . 18 1 1 A 2 2 PRO CA C 2 61.757 62.842 -1.085 1
1 9 . 18 1 1 A 2 2 PRO CB C 2 32.181 31.554 0.627 1
1 12 . 18 1 1 A 3 3 ALA H H 3 8.418 8.461 -0.043 1
1 13 . 18 1 1 A 3 3 ALA HA H 3 4.242 4.620 -0.378 1
1 17 . 18 1 1 A 3 3 ALA C C 3 171.733 176.248 -4.515 1
1 18 . 18 1 1 A 3 3 ALA CA C 3 53.120 51.447 1.673 1
1 19 . 18 1 1 A 3 3 ALA CB C 3 19.076 22.659 -3.583 1
1 20 . 18 1 1 A 3 3 ALA N N 3 122.573 124.691 -2.118 1
1 21 . 18 1 1 A 4 4 ILE H H 4 8.389 8.466 -0.077 1
1 22 . 18 1 1 A 4 4 ILE HA H 4 3.730 3.707 0.023 1
1 32 . 18 1 1 A 4 4 ILE C C 4 177.391 174.667 2.724 1
1 33 . 18 1 1 A 4 4 ILE CA C 4 60.039 61.908 -1.869 1
1 34 . 18 1 1 A 4 4 ILE CB C 4 34.720 36.716 -1.996 1
1 38 . 18 1 1 A 4 4 ILE N N 4 119.283 116.949 2.334 1
1 39 . 18 1 1 A 5 5 GLU H H 5 6.799 7.998 -1.199 1
1 40 . 18 1 1 A 5 5 GLU HA H 5 4.630 4.912 -0.282 1
1 45 . 18 1 1 A 5 5 GLU C C 5 173.009 176.223 -3.214 1
1 46 . 18 1 1 A 5 5 GLU CA C 5 53.474 54.522 -1.048 1
1 47 . 18 1 1 A 5 5 GLU CB C 5 32.091 32.404 -0.313 1
1 49 . 18 1 1 A 5 5 GLU N N 5 122.616 120.307 2.309 1
1 50 . 18 1 1 A 6 6 VAL H H 6 8.899 8.561 0.338 1
1 51 . 18 1 1 A 6 6 VAL HA H 6 3.318 4.306 -0.988 1
1 59 . 18 1 1 A 6 6 VAL C C 6 174.172 176.534 -2.362 1
1 60 . 18 1 1 A 6 6 VAL CA C 6 65.581 63.634 1.947 1
1 61 . 18 1 1 A 6 6 VAL CB C 6 30.939 31.366 -0.427 1
1 64 . 18 1 1 A 6 6 VAL N N 6 122.205 122.518 -0.313 1
1 65 . 18 1 1 A 7 7 GLY H H 7 9.478 8.960 0.518 1
1 66 . 18 1 1 A 7 7 GLY HA2 H 7 5.016 3.970 1.046 1
1 67 . 18 1 1 A 7 7 GLY HA3 H 7 3.187 3.973 -0.786 1
1 68 . 18 1 1 A 7 7 GLY C C 7 176.688 173.665 3.023 1
1 69 . 18 1 1 A 7 7 GLY CA C 7 44.580 45.508 -0.928 1
1 70 . 18 1 1 A 7 7 GLY N N 7 115.742 114.885 0.857 1
1 71 . 18 1 1 A 8 8 ARG H H 8 8.128 7.541 0.587 1
1 72 . 18 1 1 A 8 8 ARG HA H 8 4.226 4.647 -0.421 1
1 79 . 18 1 1 A 8 8 ARG C C 8 173.667 175.534 -1.867 1
1 80 . 18 1 1 A 8 8 ARG CA C 8 54.906 54.573 0.333 1
1 81 . 18 1 1 A 8 8 ARG CB C 8 29.331 32.422 -3.091 1
1 84 . 18 1 1 A 8 8 ARG N N 8 120.180 121.255 -1.075 1
1 85 . 18 1 1 A 9 9 ILE H H 9 8.571 8.374 0.197 1
1 86 . 18 1 1 A 9 9 ILE HA H 9 4.965 4.313 0.652 1
1 96 . 18 1 1 A 9 9 ILE C C 9 175.361 175.344 0.017 1
1 97 . 18 1 1 A 9 9 ILE CA C 9 61.241 61.790 -0.549 1
1 98 . 18 1 1 A 9 9 ILE CB C 9 36.712 38.258 -1.546 1
1 102 . 18 1 1 A 9 9 ILE N N 9 129.626 127.091 2.535 1
1 103 . 18 1 1 A 10 10 CYS H H 10 9.614 9.205 0.409 1
1 104 . 18 1 1 A 10 10 CYS HA H 10 5.471 5.367 0.104 1
1 107 . 18 1 1 A 10 10 CYS C C 10 177.158 172.855 4.303 1
1 108 . 18 1 1 A 10 10 CYS CA C 10 57.088 57.458 -0.370 1
1 109 . 18 1 1 A 10 10 CYS CB C 10 32.935 31.107 1.828 1
1 110 . 18 1 1 A 10 10 CYS N N 10 126.595 124.758 1.837 1
1 111 . 18 1 1 A 11 11 VAL H H 11 8.926 8.581 0.345 1
1 112 . 18 1 1 A 11 11 VAL HA H 11 4.351 4.433 -0.082 1
1 120 . 18 1 1 A 11 11 VAL C C 11 172.010 175.361 -3.351 1
1 121 . 18 1 1 A 11 11 VAL CA C 11 60.857 61.311 -0.454 1
1 122 . 18 1 1 A 11 11 VAL CB C 11 33.989 33.295 0.694 1
1 125 . 18 1 1 A 11 11 VAL N N 11 119.765 126.656 -6.891 1
1 126 . 18 1 1 A 12 12 LYS H H 12 8.961 8.878 0.083 1
1 127 . 18 1 1 A 12 12 LYS HA H 12 4.510 4.649 -0.139 1
1 136 . 18 1 1 A 12 12 LYS C C 12 175.625 176.771 -1.146 1
1 137 . 18 1 1 A 12 12 LYS CA C 12 56.422 55.717 0.705 1
1 138 . 18 1 1 A 12 12 LYS CB C 12 32.726 32.065 0.661 1
1 142 . 18 1 1 A 12 12 LYS N N 12 127.967 125.703 2.264 1
1 143 . 18 1 1 A 13 13 VAL H H 13 8.522 8.792 -0.270 1
1 144 . 18 1 1 A 13 13 VAL HA H 13 4.518 3.979 0.539 1
1 152 . 18 1 1 A 13 13 VAL C C 13 176.284 177.004 -0.720 1
1 153 . 18 1 1 A 13 13 VAL CA C 13 61.492 64.399 -2.907 1
1 154 . 18 1 1 A 13 13 VAL CB C 13 32.089 31.852 0.237 1
1 157 . 18 1 1 A 13 13 VAL N N 13 118.593 125.965 -7.372 1
1 158 . 18 1 1 A 14 14 LYS H H 14 7.310 7.527 -0.217 1
1 159 . 18 1 1 A 14 14 LYS HA H 14 4.580 4.405 0.175 1
1 168 . 18 1 1 A 14 14 LYS C C 14 174.043 175.900 -1.857 1
1 169 . 18 1 1 A 14 14 LYS CA C 14 54.090 56.271 -2.181 1
1 170 . 18 1 1 A 14 14 LYS CB C 14 36.489 32.679 3.810 1
1 174 . 18 1 1 A 14 14 LYS N N 14 117.809 118.711 -0.902 1
1 175 . 18 1 1 A 15 15 GLY H H 15 8.548 8.111 0.437 1
1 176 . 18 1 1 A 15 15 GLY HA2 H 15 4.264 4.017 0.247 1
1 177 . 18 1 1 A 15 15 GLY HA3 H 15 3.845 4.023 -0.178 1
1 178 . 18 1 1 A 15 15 GLY C C 15 175.166 174.722 0.444 1
1 179 . 18 1 1 A 15 15 GLY CA C 15 43.993 45.367 -1.374 1
1 180 . 18 1 1 A 15 15 GLY N N 15 108.732 108.543 0.189 1
1 181 . 18 1 1 A 16 16 ARG H H 16 8.618 8.917 -0.299 1
1 182 . 18 1 1 A 16 16 ARG HA H 16 4.082 3.996 0.086 1
1 189 . 18 1 1 A 16 16 ARG C C 16 174.254 178.266 -4.012 1
1 190 . 18 1 1 A 16 16 ARG CA C 16 57.950 59.194 -1.244 1
1 191 . 18 1 1 A 16 16 ARG CB C 16 29.776 29.887 -0.111 1
1 194 . 18 1 1 A 16 16 ARG N N 16 120.561 125.922 -5.361 1
1 195 . 18 1 1 A 17 17 GLU H H 17 8.935 7.855 1.080 1
1 196 . 18 1 1 A 17 17 GLU HA H 17 4.190 4.342 -0.152 1
1 201 . 18 1 1 A 17 17 GLU C C 17 177.426 175.930 1.496 1
1 202 . 18 1 1 A 17 17 GLU CA C 17 55.386 56.519 -1.133 1
1 203 . 18 1 1 A 17 17 GLU CB C 17 27.412 30.148 -2.736 1
1 205 . 18 1 1 A 17 17 GLU N N 17 115.930 117.150 -1.220 1
1 206 . 18 1 1 A 18 18 ALA H H 18 7.267 7.981 -0.714 1
1 207 . 18 1 1 A 18 18 ALA HA H 18 3.737 4.084 -0.347 1
1 211 . 18 1 1 A 18 18 ALA C C 18 174.969 177.762 -2.793 1
1 212 . 18 1 1 A 18 18 ALA CA C 18 53.272 53.440 -0.168 1
1 213 . 18 1 1 A 18 18 ALA CB C 18 17.382 17.507 -0.125 1
1 214 . 18 1 1 A 18 18 ALA N N 18 120.485 120.786 -0.301 1
1 215 . 18 1 1 A 19 19 GLY H H 19 9.424 8.277 1.147 1
1 216 . 18 1 1 A 19 19 GLY HA2 H 19 4.680 3.927 0.753 1
1 217 . 18 1 1 A 19 19 GLY HA3 H 19 3.451 3.938 -0.487 1
1 218 . 18 1 1 A 19 19 GLY C C 19 178.386 174.325 4.061 1
1 219 . 18 1 1 A 19 19 GLY CA C 19 44.905 45.321 -0.416 1
1 220 . 18 1 1 A 19 19 GLY N N 19 112.194 104.829 7.365 1
1 221 . 18 1 1 A 20 20 SER H H 20 8.162 7.724 0.438 1
1 222 . 18 1 1 A 20 20 SER HA H 20 4.861 4.362 0.499 1
1 225 . 18 1 1 A 20 20 SER C C 20 173.441 174.121 -0.680 1
1 226 . 18 1 1 A 20 20 SER CA C 20 58.253 57.764 0.489 1
1 227 . 18 1 1 A 20 20 SER CB C 20 64.447 63.084 1.363 1
1 228 . 18 1 1 A 20 20 SER N N 20 115.207 113.853 1.354 1
1 229 . 18 1 1 A 21 21 LYS H H 21 8.836 8.866 -0.030 1
1 230 . 18 1 1 A 21 21 LYS HA H 21 5.369 5.087 0.282 1
1 239 . 18 1 1 A 21 21 LYS C C 21 172.859 175.321 -2.462 1
1 240 . 18 1 1 A 21 21 LYS CA C 21 55.508 54.903 0.605 1
1 241 . 18 1 1 A 21 21 LYS CB C 21 34.795 34.962 -0.167 1
1 245 . 18 1 1 A 21 21 LYS N N 21 121.269 125.628 -4.359 1
1 246 . 18 1 1 A 22 22 CYS H H 22 8.905 8.504 0.401 1
1 247 . 18 1 1 A 22 22 CYS HA H 22 5.527 5.124 0.403 1
1 250 . 18 1 1 A 22 22 CYS C C 22 174.204 172.686 1.518 1
1 251 . 18 1 1 A 22 22 CYS CA C 22 55.584 57.728 -2.144 1
1 252 . 18 1 1 A 22 22 CYS CB C 22 30.941 32.528 -1.587 1
1 253 . 18 1 1 A 22 22 CYS N N 22 110.073 119.841 -9.768 1
1 254 . 18 1 1 A 23 23 VAL H H 23 9.325 8.952 0.373 1
1 255 . 18 1 1 A 23 23 VAL HA H 23 4.761 5.018 -0.257 1
1 263 . 18 1 1 A 23 23 VAL C C 23 171.121 174.174 -3.053 1
1 264 . 18 1 1 A 23 23 VAL CA C 23 60.552 59.480 1.072 1
1 265 . 18 1 1 A 23 23 VAL CB C 23 35.141 34.728 0.413 1
1 268 . 18 1 1 A 23 23 VAL N N 23 119.042 120.616 -1.574 1
1 269 . 18 1 1 A 24 24 ILE H H 24 8.239 8.617 -0.378 1
1 270 . 18 1 1 A 24 24 ILE HA H 24 4.239 4.149 0.090 1
1 280 . 18 1 1 A 24 24 ILE C C 24 175.805 176.887 -1.082 1
1 281 . 18 1 1 A 24 24 ILE CA C 24 62.552 61.450 1.102 1
1 282 . 18 1 1 A 24 24 ILE CB C 24 36.819 36.990 -0.171 1
1 286 . 18 1 1 A 24 24 ILE N N 24 124.259 127.793 -3.534 1
1 287 . 18 1 1 A 25 25 VAL H H 25 9.205 8.846 0.359 1
1 288 . 18 1 1 A 25 25 VAL HA H 25 4.689 4.480 0.209 1
1 296 . 18 1 1 A 25 25 VAL C C 25 175.650 175.664 -0.014 1
1 297 . 18 1 1 A 25 25 VAL CA C 25 60.947 61.983 -1.036 1
1 298 . 18 1 1 A 25 25 VAL CB C 25 32.986 33.640 -0.654 1
1 301 . 18 1 1 A 25 25 VAL N N 25 121.805 121.479 0.326 1
1 302 . 18 1 1 A 26 26 ASP H H 26 8.103 7.329 0.774 1
1 303 . 18 1 1 A 26 26 ASP HA H 26 4.771 5.024 -0.253 1
1 306 . 18 1 1 A 26 26 ASP C C 26 174.343 173.541 0.802 1
1 307 . 18 1 1 A 26 26 ASP CA C 26 53.671 53.890 -0.219 1
1 308 . 18 1 1 A 26 26 ASP CB C 26 43.563 44.869 -1.306 1
1 309 . 18 1 1 A 26 26 ASP N N 26 118.459 119.719 -1.260 1
1 310 . 18 1 1 A 27 27 ILE H H 27 9.092 9.053 0.039 1
1 311 . 18 1 1 A 27 27 ILE HA H 27 4.273 4.478 -0.205 1
1 321 . 18 1 1 A 27 27 ILE C C 27 173.976 175.467 -1.491 1
1 322 . 18 1 1 A 27 27 ILE CA C 27 60.306 60.640 -0.334 1
1 323 . 18 1 1 A 27 27 ILE CB C 27 38.339 38.258 0.081 1
1 327 . 18 1 1 A 27 27 ILE N N 27 124.375 125.723 -1.348 1
1 328 . 18 1 1 A 28 28 ILE H H 28 8.055 8.407 -0.352 1
1 329 . 18 1 1 A 28 28 ILE HA H 28 3.986 4.033 -0.047 1
1 339 . 18 1 1 A 28 28 ILE C C 28 174.733 175.700 -0.967 1
1 340 . 18 1 1 A 28 28 ILE CA C 28 62.414 63.937 -1.523 1
1 341 . 18 1 1 A 28 28 ILE CB C 28 37.450 38.601 -1.151 1
1 345 . 18 1 1 A 28 28 ILE N N 28 127.525 129.505 -1.980 1
1 346 . 18 1 1 A 29 29 ASP H H 29 8.438 8.708 -0.270 1
1 347 . 18 1 1 A 29 29 ASP HA H 29 4.522 4.988 -0.466 1
1 350 . 18 1 1 A 29 29 ASP C C 29 175.289 175.629 -0.340 1
1 351 . 18 1 1 A 29 29 ASP CA C 29 53.316 52.060 1.256 1
1 352 . 18 1 1 A 29 29 ASP CB C 29 39.450 43.296 -3.846 1
1 353 . 18 1 1 A 29 29 ASP N N 29 118.886 119.642 -0.756 1
1 354 . 18 1 1 A 30 30 ASP H H 30 8.140 8.760 -0.620 1
1 355 . 18 1 1 A 30 30 ASP HA H 30 4.375 4.403 -0.028 1
1 358 . 18 1 1 A 30 30 ASP C C 30 174.332 177.182 -2.850 1
1 359 . 18 1 1 A 30 30 ASP CA C 30 56.171 56.685 -0.514 1
1 360 . 18 1 1 A 30 30 ASP CB C 30 40.302 40.975 -0.673 1
1 361 . 18 1 1 A 30 30 ASP N N 30 112.219 124.008 -11.789 1
1 362 . 18 1 1 A 31 31 ASN H H 31 8.866 7.940 0.926 1
1 363 . 18 1 1 A 31 31 ASN HA H 31 4.805 4.783 0.022 1
1 366 . 18 1 1 A 31 31 ASN C C 31 175.926 175.445 0.481 1
1 367 . 18 1 1 A 31 31 ASN CA C 31 54.015 54.166 -0.151 1
1 368 . 18 1 1 A 31 31 ASN CB C 31 42.366 40.622 1.744 1
1 369 . 18 1 1 A 31 31 ASN N N 31 114.650 114.982 -0.332 1
1 370 . 18 1 1 A 32 32 PHE H H 32 8.481 7.830 0.651 1
1 371 . 18 1 1 A 32 32 PHE HA H 32 5.279 4.975 0.304 1
1 376 . 18 1 1 A 32 32 PHE C C 32 173.451 175.173 -1.722 1
1 377 . 18 1 1 A 32 32 PHE CA C 32 57.629 58.355 -0.726 1
1 378 . 18 1 1 A 32 32 PHE CB C 32 42.418 38.530 3.888 1
1 379 . 18 1 1 A 32 32 PHE N N 32 117.648 118.581 -0.933 1
1 380 . 18 1 1 A 33 33 VAL H H 33 8.680 9.079 -0.399 1
1 381 . 18 1 1 A 33 33 VAL HA H 33 4.720 4.999 -0.279 1
1 389 . 18 1 1 A 33 33 VAL C C 33 174.458 173.951 0.507 1
1 390 . 18 1 1 A 33 33 VAL CA C 33 58.331 59.578 -1.247 1
1 391 . 18 1 1 A 33 33 VAL CB C 33 34.410 34.226 0.184 1
1 394 . 18 1 1 A 33 33 VAL N N 33 110.814 119.105 -8.291 1
1 395 . 18 1 1 A 34 34 LEU H H 34 8.696 8.967 -0.271 1
1 396 . 18 1 1 A 34 34 LEU HA H 34 4.871 4.950 -0.079 1
1 406 . 18 1 1 A 34 34 LEU C C 34 172.716 175.764 -3.048 1
1 407 . 18 1 1 A 34 34 LEU CA C 34 53.776 53.602 0.174 1
1 408 . 18 1 1 A 34 34 LEU CB C 34 44.582 43.534 1.048 1
1 412 . 18 1 1 A 34 34 LEU N N 34 123.160 125.947 -2.787 1
1 413 . 18 1 1 A 35 35 VAL H H 35 8.460 9.011 -0.551 1
1 414 . 18 1 1 A 35 35 VAL HA H 35 5.674 5.198 0.476 1
1 422 . 18 1 1 A 35 35 VAL C C 35 176.009 174.292 1.717 1
1 423 . 18 1 1 A 35 35 VAL CA C 35 57.423 59.837 -2.414 1
1 424 . 18 1 1 A 35 35 VAL CB C 35 35.541 34.751 0.790 1
1 427 . 18 1 1 A 35 35 VAL N N 35 119.184 121.433 -2.249 1
1 428 . 18 1 1 A 36 36 THR H H 36 8.362 8.507 -0.145 1
1 429 . 18 1 1 A 36 36 THR HA H 36 4.535 4.888 -0.353 1
1 434 . 18 1 1 A 36 36 THR C C 36 173.498 172.871 0.627 1
1 435 . 18 1 1 A 36 36 THR CA C 36 59.643 59.740 -0.097 1
1 436 . 18 1 1 A 36 36 THR CB C 36 70.439 71.511 -1.072 1
1 438 . 18 1 1 A 36 36 THR N N 36 109.151 117.756 -8.605 1
1 439 . 18 1 1 A 37 37 GLY H H 37 7.571 8.954 -1.383 1
1 440 . 18 1 1 A 37 37 GLY C C 37 172.460 173.125 -0.665 1
1 441 . 18 1 1 A 37 37 GLY CA C 37 51.421 45.089 6.332 1
1 442 . 18 1 1 A 37 37 GLY N N 37 115.474 113.714 1.760 1
1 443 . 18 1 1 A 38 38 PRO HA H 38 5.235 4.454 0.781 1
1 450 . 18 1 1 A 38 38 PRO CA C 38 60.459 63.296 -2.837 1
1 451 . 18 1 1 A 38 38 PRO CB C 38 35.517 32.209 3.308 1
1 454 . 18 1 1 A 39 39 LYS H H 39 9.463 8.959 0.504 1
1 455 . 18 1 1 A 39 39 LYS HA H 39 3.545 3.897 -0.352 1
1 464 . 18 1 1 A 39 39 LYS C C 39 179.019 177.718 1.301 1
1 465 . 18 1 1 A 39 39 LYS CA C 39 60.344 59.538 0.806 1
1 466 . 18 1 1 A 39 39 LYS CB C 39 31.826 32.387 -0.561 1
1 470 . 18 1 1 A 39 39 LYS N N 39 127.869 125.111 2.758 1
1 471 . 18 1 1 A 40 40 ASP H H 40 9.035 8.111 0.924 1
1 472 . 18 1 1 A 40 40 ASP HA H 40 4.375 4.804 -0.429 1
1 475 . 18 1 1 A 40 40 ASP C C 40 177.615 177.041 0.574 1
1 476 . 18 1 1 A 40 40 ASP CA C 40 55.080 53.233 1.847 1
1 477 . 18 1 1 A 40 40 ASP CB C 40 39.209 41.319 -2.110 1
1 478 . 18 1 1 A 40 40 ASP N N 40 115.744 117.579 -1.835 1
1 479 . 18 1 1 A 41 41 ILE H H 41 7.739 7.717 0.022 1
1 480 . 18 1 1 A 41 41 ILE HA H 41 4.218 4.221 -0.003 1
1 490 . 18 1 1 A 41 41 ILE C C 41 174.826 176.359 -1.533 1
1 491 . 18 1 1 A 41 41 ILE CA C 41 61.664 62.733 -1.069 1
1 492 . 18 1 1 A 41 41 ILE CB C 41 37.453 39.920 -2.467 1
1 496 . 18 1 1 A 41 41 ILE N N 41 116.447 120.181 -3.734 1
1 497 . 18 1 1 A 42 42 THR H H 42 7.766 8.056 -0.290 1
1 498 . 18 1 1 A 42 42 THR HA H 42 4.734 4.425 0.309 1
1 503 . 18 1 1 A 42 42 THR C C 42 175.827 174.716 1.111 1
1 504 . 18 1 1 A 42 42 THR CA C 42 60.110 63.896 -3.786 1
1 505 . 18 1 1 A 42 42 THR CB C 42 71.791 70.894 0.897 1
1 507 . 18 1 1 A 42 42 THR N N 42 104.054 112.994 -8.940 1
1 508 . 18 1 1 A 43 43 GLY H H 43 7.844 8.068 -0.224 1
1 509 . 18 1 1 A 43 43 GLY HA2 H 43 4.461 4.066 0.395 1
1 510 . 18 1 1 A 43 43 GLY HA3 H 43 3.836 4.068 -0.232 1
1 511 . 18 1 1 A 43 43 GLY C C 43 175.208 174.324 0.884 1
1 512 . 18 1 1 A 43 43 GLY CA C 43 44.826 45.965 -1.139 1
1 513 . 18 1 1 A 43 43 GLY N N 43 109.006 108.552 0.454 1
1 514 . 18 1 1 A 44 44 VAL H H 44 7.289 8.030 -0.741 1
1 515 . 18 1 1 A 44 44 VAL HA H 44 3.945 4.351 -0.406 1
1 523 . 18 1 1 A 44 44 VAL C C 44 173.149 175.952 -2.803 1
1 524 . 18 1 1 A 44 44 VAL CA C 44 62.902 61.268 1.634 1
1 525 . 18 1 1 A 44 44 VAL CB C 44 31.715 33.423 -1.708 1
1 528 . 18 1 1 A 44 44 VAL N N 44 120.903 119.901 1.002 1
1 529 . 18 1 1 A 45 45 LYS H H 45 8.308 8.575 -0.267 1
1 530 . 18 1 1 A 45 45 LYS HA H 45 4.190 4.189 0.001 1
1 539 . 18 1 1 A 45 45 LYS C C 45 175.177 175.879 -0.702 1
1 540 . 18 1 1 A 45 45 LYS CA C 45 56.355 57.202 -0.847 1
1 541 . 18 1 1 A 45 45 LYS CB C 45 33.385 32.945 0.440 1
1 545 . 18 1 1 A 45 45 LYS N N 45 128.406 128.759 -0.353 1
1 546 . 18 1 1 A 46 46 ARG H H 46 8.080 8.289 -0.209 1
1 547 . 18 1 1 A 46 46 ARG HA H 46 5.720 4.481 1.239 1
1 554 . 18 1 1 A 46 46 ARG C C 46 173.780 176.119 -2.339 1
1 555 . 18 1 1 A 46 46 ARG CA C 46 54.888 56.271 -1.383 1
1 556 . 18 1 1 A 46 46 ARG CB C 46 29.630 30.437 -0.807 1
1 559 . 18 1 1 A 46 46 ARG N N 46 120.129 123.806 -3.677 1
1 560 . 18 1 1 A 47 47 ARG H H 47 8.452 8.753 -0.301 1
1 561 . 18 1 1 A 47 47 ARG HA H 47 4.732 5.012 -0.280 1
1 568 . 18 1 1 A 47 47 ARG C C 47 176.138 174.539 1.599 1
1 569 . 18 1 1 A 47 47 ARG CA C 47 54.319 54.071 0.248 1
1 570 . 18 1 1 A 47 47 ARG CB C 47 33.746 34.740 -0.994 1
1 573 . 18 1 1 A 47 47 ARG N N 47 126.780 121.717 5.063 1
1 574 . 18 1 1 A 48 48 ARG H H 48 8.546 8.439 0.107 1
1 575 . 18 1 1 A 48 48 ARG HA H 48 5.111 5.301 -0.190 1
1 582 . 18 1 1 A 48 48 ARG C C 48 174.339 174.973 -0.634 1
1 583 . 18 1 1 A 48 48 ARG CA C 48 55.524 55.011 0.513 1
1 584 . 18 1 1 A 48 48 ARG CB C 48 31.132 32.572 -1.440 1
1 587 . 18 1 1 A 48 48 ARG N N 48 121.931 121.598 0.333 1
1 588 . 18 1 1 A 49 49 VAL H H 49 9.485 8.691 0.794 1
1 589 . 18 1 1 A 49 49 VAL HA H 49 4.651 5.087 -0.436 1
1 597 . 18 1 1 A 49 49 VAL C C 49 176.112 175.901 0.211 1
1 598 . 18 1 1 A 49 49 VAL CA C 49 60.040 59.434 0.606 1
1 599 . 18 1 1 A 49 49 VAL CB C 49 36.427 35.716 0.711 1
1 602 . 18 1 1 A 49 49 VAL N N 49 122.891 120.656 2.235 1
1 603 . 18 1 1 A 50 50 ASN H H 50 8.569 8.253 0.316 1
1 604 . 18 1 1 A 50 50 ASN HA H 50 4.213 4.487 -0.274 1
1 607 . 18 1 1 A 50 50 ASN C C 50 173.258 174.506 -1.248 1
1 608 . 18 1 1 A 50 50 ASN CA C 50 52.732 51.802 0.930 1
1 609 . 18 1 1 A 50 50 ASN CB C 50 38.173 36.824 1.349 1
1 610 . 18 1 1 A 50 50 ASN N N 50 125.736 123.421 2.315 1
1 611 . 18 1 1 A 51 51 ILE H H 51 8.601 7.899 0.702 1
1 612 . 18 1 1 A 51 51 ILE HA H 51 3.632 3.831 -0.199 1
1 622 . 18 1 1 A 51 51 ILE C C 51 176.785 175.023 1.762 1
1 623 . 18 1 1 A 51 51 ILE CA C 51 65.046 61.679 3.367 1
1 624 . 18 1 1 A 51 51 ILE CB C 51 38.532 36.358 2.174 1
1 628 . 18 1 1 A 51 51 ILE N N 51 126.454 115.406 11.048 1
1 629 . 18 1 1 A 52 52 LEU H H 52 8.448 7.821 0.627 1
1 630 . 18 1 1 A 52 52 LEU HA H 52 4.290 4.481 -0.191 1
1 640 . 18 1 1 A 52 52 LEU C C 52 176.765 177.114 -0.349 1
1 641 . 18 1 1 A 52 52 LEU CA C 52 55.880 55.716 0.164 1
1 642 . 18 1 1 A 52 52 LEU CB C 52 40.983 44.566 -3.583 1
1 646 . 18 1 1 A 52 52 LEU N N 52 118.365 126.846 -8.481 1
1 647 . 18 1 1 A 53 53 HIS H H 53 8.358 8.305 0.053 1
1 648 . 18 1 1 A 53 53 HIS HA H 53 4.621 4.625 -0.004 1
1 651 . 18 1 1 A 53 53 HIS C C 53 178.018 174.660 3.358 1
1 652 . 18 1 1 A 53 53 HIS CA C 53 53.996 55.889 -1.893 1
1 653 . 18 1 1 A 53 53 HIS CB C 53 30.306 30.168 0.138 1
1 654 . 18 1 1 A 53 53 HIS N N 53 116.672 115.877 0.795 1
1 655 . 18 1 1 A 54 54 LEU H H 54 7.693 7.718 -0.025 1
1 656 . 18 1 1 A 54 54 LEU HA H 54 5.222 5.093 0.129 1
1 666 . 18 1 1 A 54 54 LEU C C 54 173.609 174.559 -0.950 1
1 667 . 18 1 1 A 54 54 LEU CA C 54 52.932 53.808 -0.876 1
1 668 . 18 1 1 A 54 54 LEU CB C 54 45.943 45.852 0.091 1
1 672 . 18 1 1 A 54 54 LEU N N 54 119.311 116.539 2.772 1
1 673 . 18 1 1 A 55 55 GLU H H 55 9.073 9.007 0.066 1
1 674 . 18 1 1 A 55 55 GLU C C 55 175.102 173.993 1.109 1
1 675 . 18 1 1 A 55 55 GLU CA C 55 52.073 52.909 -0.836 1
1 676 . 18 1 1 A 55 55 GLU CB C 55 31.958 31.672 0.286 1
1 677 . 18 1 1 A 55 55 GLU N N 55 120.139 118.827 1.312 1
1 678 . 18 1 1 A 56 56 PRO HA H 56 4.903 4.519 0.384 1
1 685 . 18 1 1 A 56 56 PRO CA C 56 63.121 63.429 -0.308 1
1 686 . 18 1 1 A 56 56 PRO CB C 56 32.274 32.153 0.121 1
1 689 . 18 1 1 A 57 57 THR H H 57 8.502 8.868 -0.366 1
1 690 . 18 1 1 A 57 57 THR HA H 57 4.932 4.750 0.182 1
1 695 . 18 1 1 A 57 57 THR C C 57 175.894 175.692 0.202 1
1 696 . 18 1 1 A 57 57 THR CA C 57 60.602 61.295 -0.693 1
1 697 . 18 1 1 A 57 57 THR CB C 57 71.821 70.405 1.416 1
1 699 . 18 1 1 A 57 57 THR N N 57 113.388 116.728 -3.340 1
1 700 . 18 1 1 A 58 58 ASP H H 58 8.605 9.037 -0.432 1
1 701 . 18 1 1 A 58 58 ASP HA H 58 4.445 4.367 0.078 1
1 704 . 18 1 1 A 58 58 ASP C C 58 173.673 176.143 -2.470 1
1 705 . 18 1 1 A 58 58 ASP CA C 58 53.743 57.391 -3.648 1
1 706 . 18 1 1 A 58 58 ASP CB C 58 39.622 40.439 -0.817 1
1 707 . 18 1 1 A 58 58 ASP N N 58 115.340 123.487 -8.147 1
1 708 . 18 1 1 A 59 59 LYS H H 59 8.544 7.850 0.694 1
1 709 . 18 1 1 A 59 59 LYS HA H 59 4.646 4.573 0.073 1
1 718 . 18 1 1 A 59 59 LYS C C 59 174.972 175.772 -0.800 1
1 719 . 18 1 1 A 59 59 LYS CA C 59 54.336 55.573 -1.237 1
1 720 . 18 1 1 A 59 59 LYS CB C 59 34.626 33.906 0.720 1
1 724 . 18 1 1 A 59 59 LYS N N 59 119.488 118.677 0.811 1
1 725 . 18 1 1 A 60 60 LYS H H 60 8.227 8.583 -0.356 1
1 726 . 18 1 1 A 60 60 LYS HA H 60 4.999 4.862 0.137 1
1 735 . 18 1 1 A 60 60 LYS C C 60 174.256 176.288 -2.032 1
1 736 . 18 1 1 A 60 60 LYS CA C 60 54.465 54.916 -0.451 1
1 737 . 18 1 1 A 60 60 LYS CB C 60 36.153 35.808 0.345 1
1 741 . 18 1 1 A 60 60 LYS N N 60 121.112 123.642 -2.530 1
1 742 . 18 1 1 A 61 61 ILE H H 61 8.527 8.210 0.317 1
1 743 . 18 1 1 A 61 61 ILE HA H 61 4.724 4.401 0.323 1
1 753 . 18 1 1 A 61 61 ILE C C 61 174.330 175.712 -1.382 1
1 754 . 18 1 1 A 61 61 ILE CA C 61 58.831 61.797 -2.966 1
1 755 . 18 1 1 A 61 61 ILE CB C 61 41.357 39.272 2.085 1
1 759 . 18 1 1 A 61 61 ILE N N 61 116.027 123.044 -7.017 1
1 760 . 18 1 1 A 62 62 ASP H H 62 8.513 8.182 0.331 1
1 761 . 18 1 1 A 62 62 ASP HA H 62 4.732 4.322 0.410 1
1 764 . 18 1 1 A 62 62 ASP C C 62 174.224 174.545 -0.321 1
1 765 . 18 1 1 A 62 62 ASP CA C 62 53.163 54.810 -1.647 1
1 766 . 18 1 1 A 62 62 ASP CB C 62 39.686 39.513 0.173 1
1 767 . 18 1 1 A 62 62 ASP N N 62 121.643 121.657 -0.014 1
1 768 . 18 1 1 A 63 63 ILE H H 63 7.389 8.291 -0.902 1
1 769 . 18 1 1 A 63 63 ILE HA H 63 4.641 5.008 -0.367 1
1 779 . 18 1 1 A 63 63 ILE C C 63 174.484 175.200 -0.716 1
1 780 . 18 1 1 A 63 63 ILE CA C 63 58.244 58.191 0.053 1
1 781 . 18 1 1 A 63 63 ILE CB C 63 41.811 42.098 -0.287 1
1 785 . 18 1 1 A 63 63 ILE N N 63 114.509 121.493 -6.984 1
1 786 . 18 1 1 A 64 64 GLN H H 64 8.529 8.341 0.188 1
1 787 . 18 1 1 A 64 64 GLN HA H 64 4.390 4.608 -0.218 1
1 792 . 18 1 1 A 64 64 GLN C C 64 174.409 175.500 -1.091 1
1 793 . 18 1 1 A 64 64 GLN CA C 64 53.860 54.526 -0.666 1
1 794 . 18 1 1 A 64 64 GLN CB C 64 30.086 30.338 -0.252 1
1 796 . 18 1 1 A 64 64 GLN N N 64 119.145 120.635 -1.490 1
1 797 . 18 1 1 A 65 65 LYS H H 65 8.323 8.620 -0.297 1
1 798 . 18 1 1 A 65 65 LYS HA H 65 4.132 4.261 -0.129 1
1 807 . 18 1 1 A 65 65 LYS C C 65 174.920 177.248 -2.328 1
1 808 . 18 1 1 A 65 65 LYS CA C 65 57.603 57.746 -0.143 1
1 809 . 18 1 1 A 65 65 LYS CB C 65 32.341 32.931 -0.590 1
1 813 . 18 1 1 A 65 65 LYS N N 65 119.780 122.688 -2.908 1
1 814 . 18 1 1 A 66 66 GLY H H 66 9.313 8.891 0.422 1
1 815 . 18 1 1 A 66 66 GLY HA2 H 66 4.093 3.978 0.115 1
1 816 . 18 1 1 A 66 66 GLY HA3 H 66 3.297 3.979 -0.682 1
1 817 . 18 1 1 A 66 66 GLY C C 66 177.892 174.696 3.196 1
1 818 . 18 1 1 A 66 66 GLY CA C 66 44.953 45.496 -0.543 1
1 819 . 18 1 1 A 66 66 GLY N N 66 112.449 114.679 -2.230 1
1 820 . 18 1 1 A 67 67 ALA H H 67 7.545 7.966 -0.421 1
1 821 . 18 1 1 A 67 67 ALA HA H 67 4.081 4.564 -0.483 1
1 825 . 18 1 1 A 67 67 ALA C C 67 173.517 177.355 -3.838 1
1 826 . 18 1 1 A 67 67 ALA CA C 67 52.802 51.906 0.896 1
1 827 . 18 1 1 A 67 67 ALA CB C 67 20.424 20.229 0.195 1
1 828 . 18 1 1 A 67 67 ALA N N 67 121.516 124.050 -2.534 1
1 829 . 18 1 1 A 68 68 SER H H 68 8.904 8.814 0.090 1
1 830 . 18 1 1 A 68 68 SER HA H 68 4.261 5.033 -0.772 1
1 833 . 18 1 1 A 68 68 SER C C 68 177.019 175.008 2.011 1
1 834 . 18 1 1 A 68 68 SER CA C 68 57.321 56.468 0.853 1
1 835 . 18 1 1 A 68 68 SER CB C 68 65.064 66.519 -1.455 1
1 836 . 18 1 1 A 68 68 SER N N 68 119.470 115.431 4.039 1
1 837 . 18 1 1 A 69 69 ASP H H 69 9.379 8.856 0.523 1
1 838 . 18 1 1 A 69 69 ASP HA H 69 4.184 4.344 -0.160 1
1 841 . 18 1 1 A 69 69 ASP C C 69 173.831 177.623 -3.792 1
1 842 . 18 1 1 A 69 69 ASP CA C 69 57.843 57.365 0.478 1
1 843 . 18 1 1 A 69 69 ASP CB C 69 39.367 40.353 -0.986 1
1 844 . 18 1 1 A 69 69 ASP N N 69 122.205 120.800 1.405 1
1 845 . 18 1 1 A 70 70 GLU H H 70 8.454 8.331 0.123 1
1 846 . 18 1 1 A 70 70 GLU HA H 70 3.966 4.028 -0.062 1
1 851 . 18 1 1 A 70 70 GLU C C 70 177.979 178.583 -0.604 1
1 852 . 18 1 1 A 70 70 GLU CA C 70 59.987 59.434 0.553 1
1 853 . 18 1 1 A 70 70 GLU CB C 70 28.804 29.388 -0.584 1
1 855 . 18 1 1 A 70 70 GLU N N 70 118.426 119.795 -1.369 1
1 856 . 18 1 1 A 71 71 GLU H H 71 7.835 7.641 0.194 1
1 857 . 18 1 1 A 71 71 GLU HA H 71 4.050 4.077 -0.027 1
1 862 . 18 1 1 A 71 71 GLU C C 71 178.486 179.348 -0.862 1
1 863 . 18 1 1 A 71 71 GLU CA C 71 58.998 59.113 -0.115 1
1 864 . 18 1 1 A 71 71 GLU CB C 71 29.068 29.663 -0.595 1
1 866 . 18 1 1 A 71 71 GLU N N 71 122.166 119.581 2.585 1
1 867 . 18 1 1 A 72 72 VAL H H 72 8.387 8.180 0.207 1
1 868 . 18 1 1 A 72 72 VAL HA H 72 3.295 3.514 -0.219 1
1 876 . 18 1 1 A 72 72 VAL C C 72 178.603 178.152 0.451 1
1 877 . 18 1 1 A 72 72 VAL CA C 72 66.989 67.046 -0.057 1
1 878 . 18 1 1 A 72 72 VAL CB C 72 31.242 31.412 -0.170 1
1 881 . 18 1 1 A 72 72 VAL N N 72 118.871 119.170 -0.299 1
1 882 . 18 1 1 A 73 73 LYS H H 73 8.619 7.775 0.844 1
1 883 . 18 1 1 A 73 73 LYS HA H 73 3.734 3.915 -0.181 1
1 892 . 18 1 1 A 73 73 LYS C C 73 177.118 178.414 -1.296 1
1 893 . 18 1 1 A 73 73 LYS CA C 73 60.695 58.987 1.708 1
1 894 . 18 1 1 A 73 73 LYS CB C 73 32.320 32.020 0.300 1
1 898 . 18 1 1 A 73 73 LYS N N 73 118.351 120.051 -1.700 1
1 899 . 18 1 1 A 74 74 LYS H H 74 7.886 8.597 -0.711 1
1 900 . 18 1 1 A 74 74 LYS HA H 74 4.133 4.002 0.131 1
1 909 . 18 1 1 A 74 74 LYS C C 74 178.306 178.839 -0.533 1
1 910 . 18 1 1 A 74 74 LYS CA C 74 58.954 59.863 -0.909 1
1 911 . 18 1 1 A 74 74 LYS CB C 74 31.974 32.644 -0.670 1
1 915 . 18 1 1 A 74 74 LYS N N 74 118.808 118.947 -0.139 1
1 916 . 18 1 1 A 75 75 LYS H H 75 8.118 7.870 0.248 1
1 917 . 18 1 1 A 75 75 LYS HA H 75 4.228 4.013 0.215 1
1 926 . 18 1 1 A 75 75 LYS C C 75 178.795 179.535 -0.740 1
1 927 . 18 1 1 A 75 75 LYS CA C 75 57.158 59.373 -2.215 1
1 928 . 18 1 1 A 75 75 LYS CB C 75 31.382 32.281 -0.899 1
1 932 . 18 1 1 A 75 75 LYS N N 75 118.374 118.398 -0.024 1
1 933 . 18 1 1 A 76 76 LEU H H 76 8.778 8.340 0.438 1
1 934 . 18 1 1 A 76 76 LEU HA H 76 3.931 3.983 -0.052 1
1 944 . 18 1 1 A 76 76 LEU C C 76 180.241 179.203 1.038 1
1 945 . 18 1 1 A 76 76 LEU CA C 76 58.203 58.016 0.187 1
1 946 . 18 1 1 A 76 76 LEU CB C 76 42.015 41.211 0.804 1
1 950 . 18 1 1 A 76 76 LEU N N 76 121.253 119.898 1.355 1
1 951 . 18 1 1 A 77 77 GLU H H 77 7.951 8.773 -0.822 1
1 952 . 18 1 1 A 77 77 GLU HA H 77 4.227 3.928 0.299 1
1 957 . 18 1 1 A 77 77 GLU C C 77 178.403 178.956 -0.553 1
1 958 . 18 1 1 A 77 77 GLU CA C 77 58.892 59.870 -0.978 1
1 959 . 18 1 1 A 77 77 GLU CB C 77 28.925 28.973 -0.048 1
1 961 . 18 1 1 A 77 77 GLU N N 77 119.306 120.032 -0.726 1
1 962 . 18 1 1 A 78 78 GLU H H 78 8.595 8.355 0.240 1
1 963 . 18 1 1 A 78 78 GLU HA H 78 4.099 4.115 -0.016 1
1 968 . 18 1 1 A 78 78 GLU C C 78 180.586 178.111 2.475 1
1 969 . 18 1 1 A 78 78 GLU CA C 78 58.850 59.367 -0.517 1
1 970 . 18 1 1 A 78 78 GLU CB C 78 29.878 29.525 0.353 1
1 972 . 18 1 1 A 78 78 GLU N N 78 120.814 119.528 1.286 1
1 973 . 18 1 1 A 79 79 SER H H 79 7.519 7.515 0.004 1
1 974 . 18 1 1 A 79 79 SER HA H 79 4.592 4.572 0.020 1
1 977 . 18 1 1 A 79 79 SER C C 79 177.761 174.109 3.652 1
1 978 . 18 1 1 A 79 79 SER CA C 79 58.324 57.981 0.343 1
1 979 . 18 1 1 A 79 79 SER CB C 79 63.796 63.435 0.361 1
1 980 . 18 1 1 A 79 79 SER N N 79 110.823 113.493 -2.670 1
1 981 . 18 1 1 A 80 80 ASN H H 80 8.126 8.253 -0.127 1
1 982 . 18 1 1 A 80 80 ASN HA H 80 4.700 4.469 0.231 1
1 985 . 18 1 1 A 80 80 ASN C C 80 172.562 175.759 -3.197 1
1 986 . 18 1 1 A 80 80 ASN CA C 80 53.603 54.125 -0.522 1
1 987 . 18 1 1 A 80 80 ASN CB C 80 36.754 37.531 -0.777 1
1 988 . 18 1 1 A 80 80 ASN N N 80 117.027 118.916 -1.889 1
1 989 . 18 1 1 A 81 81 LEU H H 81 8.526 8.952 -0.426 1
1 990 . 18 1 1 A 81 81 LEU HA H 81 4.767 4.553 0.214 1
1 1000 . 18 1 1 A 81 81 LEU C C 81 175.743 177.728 -1.985 1
1 1001 . 18 1 1 A 81 81 LEU CA C 81 54.008 54.487 -0.479 1
1 1002 . 18 1 1 A 81 81 LEU CB C 81 45.026 43.258 1.768 1
1 1006 . 18 1 1 A 81 81 LEU N N 81 114.910 119.573 -4.663 1
1 1007 . 18 1 1 A 82 82 THR H H 82 7.848 7.710 0.138 1
1 1008 . 18 1 1 A 82 82 THR HA H 82 4.117 3.977 0.140 1
1 1013 . 18 1 1 A 82 82 THR C C 82 176.676 176.422 0.254 1
1 1014 . 18 1 1 A 82 82 THR CA C 82 67.474 66.749 0.725 1
1 1015 . 18 1 1 A 82 82 THR CB C 82 68.235 68.297 -0.062 1
1 1017 . 18 1 1 A 82 82 THR N N 82 117.802 115.868 1.934 1
1 1018 . 18 1 1 A 83 83 GLU H H 83 8.335 8.235 0.100 1
1 1019 . 18 1 1 A 83 83 GLU HA H 83 3.915 3.992 -0.077 1
1 1024 . 18 1 1 A 83 83 GLU C C 83 175.177 178.162 -2.985 1
1 1025 . 18 1 1 A 83 83 GLU CA C 83 59.541 59.628 -0.087 1
1 1026 . 18 1 1 A 83 83 GLU CB C 83 27.819 29.502 -1.683 1
1 1028 . 18 1 1 A 83 83 GLU N N 83 118.314 120.970 -2.656 1
1 1029 . 18 1 1 A 84 84 TYR H H 84 8.043 8.249 -0.206 1
1 1030 . 18 1 1 A 84 84 TYR HA H 84 4.111 4.147 -0.036 1
1 1037 . 18 1 1 A 84 84 TYR C C 84 179.081 178.201 0.880 1
1 1038 . 18 1 1 A 84 84 TYR CA C 84 60.788 61.107 -0.319 1
1 1039 . 18 1 1 A 84 84 TYR CB C 84 37.753 38.655 -0.902 1
1 1040 . 18 1 1 A 84 84 TYR N N 84 121.386 121.236 0.150 1
1 1041 . 18 1 1 A 85 85 MET H H 85 8.101 7.989 0.112 1
1 1042 . 18 1 1 A 85 85 MET HA H 85 4.259 4.213 0.046 1
1 1047 . 18 1 1 A 85 85 MET C C 85 178.628 177.872 0.756 1
1 1048 . 18 1 1 A 85 85 MET CA C 85 55.244 57.962 -2.718 1
1 1049 . 18 1 1 A 85 85 MET CB C 85 29.597 32.578 -2.981 1
1 1051 . 18 1 1 A 85 85 MET N N 85 116.695 118.630 -1.935 1
1 1052 . 18 1 1 A 86 86 LYS H H 86 7.301 7.597 -0.296 1
1 1053 . 18 1 1 A 86 86 LYS HA H 86 3.937 4.323 -0.386 1
1 1062 . 18 1 1 A 86 86 LYS C C 86 175.934 176.674 -0.740 1
1 1063 . 18 1 1 A 86 86 LYS CA C 86 57.318 56.916 0.402 1
1 1064 . 18 1 1 A 86 86 LYS CB C 86 32.956 32.870 0.086 1
1 1068 . 18 1 1 A 86 86 LYS N N 86 114.957 118.384 -3.427 1
1 1069 . 18 1 1 A 87 87 GLU H H 87 7.031 7.603 -0.572 1
1 1070 . 18 1 1 A 87 87 GLU HA H 87 4.185 4.247 -0.062 1
1 1075 . 18 1 1 A 87 87 GLU C C 87 176.247 175.868 0.379 1
1 1076 . 18 1 1 A 87 87 GLU CA C 87 55.780 56.046 -0.266 1
1 1077 . 18 1 1 A 87 87 GLU CB C 87 29.358 31.160 -1.802 1
1 1079 . 18 1 1 A 87 87 GLU N N 87 119.315 119.259 0.056 1
1 1080 . 18 1 1 A 88 88 LYS H H 88 8.466 8.786 -0.320 1
1 1081 . 18 1 1 A 88 88 LYS HA H 88 4.568 4.068 0.500 1
1 1090 . 18 1 1 A 88 88 LYS C C 88 175.539 175.271 0.268 1
1 1091 . 18 1 1 A 88 88 LYS CA C 88 55.271 58.207 -2.936 1
1 1092 . 18 1 1 A 88 88 LYS CB C 88 33.457 30.953 2.504 1
1 1096 . 18 1 1 A 88 88 LYS N N 88 127.402 120.161 7.241 1
1 1097 . 18 1 1 A 89 89 ILE H H 89 8.752 8.611 0.141 1
1 1098 . 18 1 1 A 89 89 ILE HA H 89 4.249 3.991 0.258 1
1 1108 . 18 1 1 A 89 89 ILE C C 89 176.471 175.708 0.763 1
1 1109 . 18 1 1 A 89 89 ILE CA C 89 59.014 62.138 -3.124 1
1 1110 . 18 1 1 A 89 89 ILE CB C 89 38.437 37.810 0.627 1
1 1114 . 18 1 1 A 89 89 ILE N N 89 122.906 122.315 0.591 1
1 1115 . 18 1 1 A 90 90 LYS H H 90 8.394 8.878 -0.484 1
1 1116 . 18 1 1 A 90 90 LYS HA H 90 4.284 4.966 -0.682 1
1 1125 . 18 1 1 A 90 90 LYS C C 90 175.276 174.638 0.638 1
1 1126 . 18 1 1 A 90 90 LYS CA C 90 55.821 54.580 1.241 1
1 1127 . 18 1 1 A 90 90 LYS CB C 90 31.860 36.124 -4.264 1
1 1131 . 18 1 1 A 90 90 LYS N N 90 125.894 124.286 1.608 1
1 1132 . 18 1 1 A 91 91 ILE H H 91 8.141 8.821 -0.680 1
1 1133 . 18 1 1 A 91 91 ILE HA H 91 4.165 4.211 -0.046 1
1 1143 . 18 1 1 A 91 91 ILE C C 91 175.506 174.519 0.987 1
1 1144 . 18 1 1 A 91 91 ILE CA C 91 59.516 61.123 -1.607 1
1 1145 . 18 1 1 A 91 91 ILE CB C 91 37.991 36.864 1.127 1
1 1149 . 18 1 1 A 91 91 ILE N N 91 124.934 124.053 0.881 1
1 1150 . 18 1 1 A 92 92 ARG H H 92 8.488 8.417 0.071 1
1 1151 . 18 1 1 A 92 92 ARG HA H 92 4.318 4.796 -0.478 1
1 1158 . 18 1 1 A 92 92 ARG C C 92 175.508 174.818 0.690 1
1 1159 . 18 1 1 A 92 92 ARG CA C 92 55.708 54.992 0.716 1
1 1160 . 18 1 1 A 92 92 ARG CB C 92 30.394 28.852 1.542 1
1 1163 . 18 1 1 A 92 92 ARG N N 92 126.033 129.442 -3.409 1
1 1164 . 18 1 1 A 93 93 MET H H 93 8.362 7.998 0.364 1
1 1165 . 18 1 1 A 93 93 MET C C 93 175.367 174.515 0.852 1
1 1166 . 18 1 1 A 93 93 MET CA C 93 52.994 51.869 1.125 1
1 1167 . 18 1 1 A 93 93 MET CB C 93 32.271 34.711 -2.440 1
1 1168 . 18 1 1 A 93 93 MET N N 93 123.282 124.420 -1.138 1
1 1169 . 18 1 1 A 94 94 PRO HA H 94 4.505 4.725 -0.220 1
1 1176 . 18 1 1 A 94 94 PRO CA C 94 62.884 62.636 0.248 1
1 1177 . 18 1 1 A 94 94 PRO CB C 94 31.885 30.160 1.725 1
1 1180 . 18 1 1 A 95 95 THR H H 95 8.180 8.411 -0.231 1
1 1181 . 18 1 1 A 95 95 THR HA H 95 4.320 4.880 -0.560 1
1 1186 . 18 1 1 A 95 95 THR C C 95 176.463 172.267 4.196 1
1 1187 . 18 1 1 A 95 95 THR CA C 95 61.391 60.015 1.376 1
1 1188 . 18 1 1 A 95 95 THR CB C 95 69.583 70.372 -0.789 1
1 1190 . 18 1 1 A 95 95 THR N N 95 114.511 118.714 -4.203 1
1 1 . 19 1 1 A 2 2 PRO HA H 2 4.279 4.565 -0.286 1
1 8 . 19 1 1 A 2 2 PRO CA C 2 61.757 62.766 -1.009 1
1 9 . 19 1 1 A 2 2 PRO CB C 2 32.181 31.478 0.703 1
1 12 . 19 1 1 A 3 3 ALA H H 3 8.418 8.577 -0.159 1
1 13 . 19 1 1 A 3 3 ALA HA H 3 4.242 4.730 -0.488 1
1 17 . 19 1 1 A 3 3 ALA C C 3 171.733 177.007 -5.274 1
1 18 . 19 1 1 A 3 3 ALA CA C 3 53.120 50.752 2.368 1
1 19 . 19 1 1 A 3 3 ALA CB C 3 19.076 20.506 -1.430 1
1 20 . 19 1 1 A 3 3 ALA N N 3 122.573 126.869 -4.296 1
1 21 . 19 1 1 A 4 4 ILE H H 4 8.389 8.466 -0.077 1
1 22 . 19 1 1 A 4 4 ILE HA H 4 3.730 3.989 -0.259 1
1 32 . 19 1 1 A 4 4 ILE C C 4 177.391 174.597 2.794 1
1 33 . 19 1 1 A 4 4 ILE CA C 4 60.039 61.563 -1.524 1
1 34 . 19 1 1 A 4 4 ILE CB C 4 34.720 36.943 -2.223 1
1 38 . 19 1 1 A 4 4 ILE N N 4 119.283 119.406 -0.123 1
1 39 . 19 1 1 A 5 5 GLU H H 5 6.799 7.991 -1.192 1
1 40 . 19 1 1 A 5 5 GLU HA H 5 4.630 4.651 -0.021 1
1 45 . 19 1 1 A 5 5 GLU C C 5 173.009 174.656 -1.647 1
1 46 . 19 1 1 A 5 5 GLU CA C 5 53.474 55.218 -1.744 1
1 47 . 19 1 1 A 5 5 GLU CB C 5 32.091 33.373 -1.282 1
1 49 . 19 1 1 A 5 5 GLU N N 5 122.616 125.788 -3.172 1
1 50 . 19 1 1 A 6 6 VAL H H 6 8.899 8.372 0.527 1
1 51 . 19 1 1 A 6 6 VAL HA H 6 3.318 4.375 -1.057 1
1 59 . 19 1 1 A 6 6 VAL C C 6 174.172 176.328 -2.156 1
1 60 . 19 1 1 A 6 6 VAL CA C 6 65.581 63.242 2.339 1
1 61 . 19 1 1 A 6 6 VAL CB C 6 30.939 31.461 -0.522 1
1 64 . 19 1 1 A 6 6 VAL N N 6 122.205 121.700 0.505 1
1 65 . 19 1 1 A 7 7 GLY H H 7 9.478 8.890 0.588 1
1 66 . 19 1 1 A 7 7 GLY HA2 H 7 5.016 4.017 0.999 1
1 67 . 19 1 1 A 7 7 GLY HA3 H 7 3.187 4.018 -0.831 1
1 68 . 19 1 1 A 7 7 GLY C C 7 176.688 173.732 2.956 1
1 69 . 19 1 1 A 7 7 GLY CA C 7 44.580 44.996 -0.416 1
1 70 . 19 1 1 A 7 7 GLY N N 7 115.742 114.197 1.545 1
1 71 . 19 1 1 A 8 8 ARG H H 8 8.128 7.431 0.697 1
1 72 . 19 1 1 A 8 8 ARG HA H 8 4.226 4.610 -0.384 1
1 79 . 19 1 1 A 8 8 ARG C C 8 173.667 175.257 -1.590 1
1 80 . 19 1 1 A 8 8 ARG CA C 8 54.906 54.536 0.370 1
1 81 . 19 1 1 A 8 8 ARG CB C 8 29.331 32.015 -2.684 1
1 84 . 19 1 1 A 8 8 ARG N N 8 120.180 121.385 -1.205 1
1 85 . 19 1 1 A 9 9 ILE H H 9 8.571 8.544 0.027 1
1 86 . 19 1 1 A 9 9 ILE HA H 9 4.965 4.551 0.414 1
1 96 . 19 1 1 A 9 9 ILE C C 9 175.361 175.410 -0.049 1
1 97 . 19 1 1 A 9 9 ILE CA C 9 61.241 60.476 0.765 1
1 98 . 19 1 1 A 9 9 ILE CB C 9 36.712 38.221 -1.509 1
1 102 . 19 1 1 A 9 9 ILE N N 9 129.626 125.872 3.754 1
1 103 . 19 1 1 A 10 10 CYS H H 10 9.614 9.248 0.366 1
1 104 . 19 1 1 A 10 10 CYS HA H 10 5.471 5.385 0.086 1
1 107 . 19 1 1 A 10 10 CYS C C 10 177.158 172.382 4.776 1
1 108 . 19 1 1 A 10 10 CYS CA C 10 57.088 56.943 0.145 1
1 109 . 19 1 1 A 10 10 CYS CB C 10 32.935 31.201 1.734 1
1 110 . 19 1 1 A 10 10 CYS N N 10 126.595 124.477 2.118 1
1 111 . 19 1 1 A 11 11 VAL H H 11 8.926 9.148 -0.222 1
1 112 . 19 1 1 A 11 11 VAL HA H 11 4.351 4.966 -0.615 1
1 120 . 19 1 1 A 11 11 VAL C C 11 172.010 175.259 -3.249 1
1 121 . 19 1 1 A 11 11 VAL CA C 11 60.857 59.577 1.280 1
1 122 . 19 1 1 A 11 11 VAL CB C 11 33.989 34.318 -0.329 1
1 125 . 19 1 1 A 11 11 VAL N N 11 119.765 121.839 -2.074 1
1 126 . 19 1 1 A 12 12 LYS H H 12 8.961 8.562 0.399 1
1 127 . 19 1 1 A 12 12 LYS HA H 12 4.510 4.321 0.189 1
1 136 . 19 1 1 A 12 12 LYS C C 12 175.625 177.631 -2.006 1
1 137 . 19 1 1 A 12 12 LYS CA C 12 56.422 56.442 -0.020 1
1 138 . 19 1 1 A 12 12 LYS CB C 12 32.726 32.805 -0.079 1
1 142 . 19 1 1 A 12 12 LYS N N 12 127.967 126.354 1.613 1
1 143 . 19 1 1 A 13 13 VAL H H 13 8.522 8.635 -0.113 1
1 144 . 19 1 1 A 13 13 VAL HA H 13 4.518 4.512 0.006 1
1 152 . 19 1 1 A 13 13 VAL C C 13 176.284 176.024 0.260 1
1 153 . 19 1 1 A 13 13 VAL CA C 13 61.492 60.651 0.841 1
1 154 . 19 1 1 A 13 13 VAL CB C 13 32.089 31.802 0.287 1
1 157 . 19 1 1 A 13 13 VAL N N 13 118.593 118.223 0.370 1
1 158 . 19 1 1 A 14 14 LYS H H 14 7.310 7.614 -0.304 1
1 159 . 19 1 1 A 14 14 LYS HA H 14 4.580 4.062 0.518 1
1 168 . 19 1 1 A 14 14 LYS C C 14 174.043 177.145 -3.102 1
1 169 . 19 1 1 A 14 14 LYS CA C 14 54.090 58.243 -4.153 1
1 170 . 19 1 1 A 14 14 LYS CB C 14 36.489 32.032 4.457 1
1 174 . 19 1 1 A 14 14 LYS N N 14 117.809 124.586 -6.777 1
1 175 . 19 1 1 A 15 15 GLY H H 15 8.548 9.010 -0.462 1
1 176 . 19 1 1 A 15 15 GLY HA2 H 15 4.264 3.845 0.419 1
1 177 . 19 1 1 A 15 15 GLY HA3 H 15 3.845 3.853 -0.008 1
1 178 . 19 1 1 A 15 15 GLY C C 15 175.166 174.215 0.951 1
1 179 . 19 1 1 A 15 15 GLY CA C 15 43.993 47.364 -3.371 1
1 180 . 19 1 1 A 15 15 GLY N N 15 108.732 115.852 -7.120 1
1 181 . 19 1 1 A 16 16 ARG H H 16 8.618 8.486 0.132 1
1 182 . 19 1 1 A 16 16 ARG HA H 16 4.082 4.569 -0.487 1
1 189 . 19 1 1 A 16 16 ARG C C 16 174.254 176.672 -2.418 1
1 190 . 19 1 1 A 16 16 ARG CA C 16 57.950 55.203 2.747 1
1 191 . 19 1 1 A 16 16 ARG CB C 16 29.776 31.545 -1.769 1
1 194 . 19 1 1 A 16 16 ARG N N 16 120.561 124.842 -4.281 1
1 195 . 19 1 1 A 17 17 GLU H H 17 8.935 8.211 0.724 1
1 196 . 19 1 1 A 17 17 GLU HA H 17 4.190 4.548 -0.358 1
1 201 . 19 1 1 A 17 17 GLU C C 17 177.426 175.885 1.541 1
1 202 . 19 1 1 A 17 17 GLU CA C 17 55.386 56.182 -0.796 1
1 203 . 19 1 1 A 17 17 GLU CB C 17 27.412 30.852 -3.440 1
1 205 . 19 1 1 A 17 17 GLU N N 17 115.930 120.584 -4.654 1
1 206 . 19 1 1 A 18 18 ALA H H 18 7.267 7.408 -0.141 1
1 207 . 19 1 1 A 18 18 ALA HA H 18 3.737 4.444 -0.707 1
1 211 . 19 1 1 A 18 18 ALA C C 18 174.969 178.079 -3.110 1
1 212 . 19 1 1 A 18 18 ALA CA C 18 53.272 51.319 1.953 1
1 213 . 19 1 1 A 18 18 ALA CB C 18 17.382 18.925 -1.543 1
1 214 . 19 1 1 A 18 18 ALA N N 18 120.485 123.928 -3.443 1
1 215 . 19 1 1 A 19 19 GLY H H 19 9.424 8.750 0.674 1
1 216 . 19 1 1 A 19 19 GLY HA2 H 19 4.680 3.943 0.737 1
1 217 . 19 1 1 A 19 19 GLY HA3 H 19 3.451 3.945 -0.494 1
1 218 . 19 1 1 A 19 19 GLY C C 19 178.386 173.992 4.394 1
1 219 . 19 1 1 A 19 19 GLY CA C 19 44.905 45.380 -0.475 1
1 220 . 19 1 1 A 19 19 GLY N N 19 112.194 111.793 0.401 1
1 221 . 19 1 1 A 20 20 SER H H 20 8.162 7.753 0.409 1
1 222 . 19 1 1 A 20 20 SER HA H 20 4.861 4.365 0.496 1
1 225 . 19 1 1 A 20 20 SER C C 20 173.441 173.590 -0.149 1
1 226 . 19 1 1 A 20 20 SER CA C 20 58.253 58.322 -0.069 1
1 227 . 19 1 1 A 20 20 SER CB C 20 64.447 62.828 1.619 1
1 228 . 19 1 1 A 20 20 SER N N 20 115.207 116.073 -0.866 1
1 229 . 19 1 1 A 21 21 LYS H H 21 8.836 8.139 0.697 1
1 230 . 19 1 1 A 21 21 LYS HA H 21 5.369 4.558 0.811 1
1 239 . 19 1 1 A 21 21 LYS C C 21 172.859 176.128 -3.269 1
1 240 . 19 1 1 A 21 21 LYS CA C 21 55.508 56.410 -0.902 1
1 241 . 19 1 1 A 21 21 LYS CB C 21 34.795 33.132 1.663 1
1 245 . 19 1 1 A 21 21 LYS N N 21 121.269 125.758 -4.489 1
1 246 . 19 1 1 A 22 22 CYS H H 22 8.905 9.273 -0.368 1
1 247 . 19 1 1 A 22 22 CYS HA H 22 5.527 5.261 0.266 1
1 250 . 19 1 1 A 22 22 CYS C C 22 174.204 173.246 0.958 1
1 251 . 19 1 1 A 22 22 CYS CA C 22 55.584 57.331 -1.747 1
1 252 . 19 1 1 A 22 22 CYS CB C 22 30.941 31.018 -0.077 1
1 253 . 19 1 1 A 22 22 CYS N N 22 110.073 122.605 -12.532 1
1 254 . 19 1 1 A 23 23 VAL H H 23 9.325 8.955 0.370 1
1 255 . 19 1 1 A 23 23 VAL HA H 23 4.761 4.609 0.152 1
1 263 . 19 1 1 A 23 23 VAL C C 23 171.121 175.800 -4.679 1
1 264 . 19 1 1 A 23 23 VAL CA C 23 60.552 61.150 -0.598 1
1 265 . 19 1 1 A 23 23 VAL CB C 23 35.141 33.991 1.150 1
1 268 . 19 1 1 A 23 23 VAL N N 23 119.042 122.720 -3.678 1
1 269 . 19 1 1 A 24 24 ILE H H 24 8.239 8.660 -0.421 1
1 270 . 19 1 1 A 24 24 ILE HA H 24 4.239 4.142 0.097 1
1 280 . 19 1 1 A 24 24 ILE C C 24 175.805 176.890 -1.085 1
1 281 . 19 1 1 A 24 24 ILE CA C 24 62.552 61.851 0.701 1
1 282 . 19 1 1 A 24 24 ILE CB C 24 36.819 37.200 -0.381 1
1 286 . 19 1 1 A 24 24 ILE N N 24 124.259 127.469 -3.210 1
1 287 . 19 1 1 A 25 25 VAL H H 25 9.205 8.752 0.453 1
1 288 . 19 1 1 A 25 25 VAL HA H 25 4.689 4.463 0.226 1
1 296 . 19 1 1 A 25 25 VAL C C 25 175.650 175.421 0.229 1
1 297 . 19 1 1 A 25 25 VAL CA C 25 60.947 61.783 -0.836 1
1 298 . 19 1 1 A 25 25 VAL CB C 25 32.986 33.579 -0.593 1
1 301 . 19 1 1 A 25 25 VAL N N 25 121.805 120.425 1.380 1
1 302 . 19 1 1 A 26 26 ASP H H 26 8.103 7.447 0.656 1
1 303 . 19 1 1 A 26 26 ASP HA H 26 4.771 5.021 -0.250 1
1 306 . 19 1 1 A 26 26 ASP C C 26 174.343 173.669 0.674 1
1 307 . 19 1 1 A 26 26 ASP CA C 26 53.671 53.882 -0.211 1
1 308 . 19 1 1 A 26 26 ASP CB C 26 43.563 44.691 -1.128 1
1 309 . 19 1 1 A 26 26 ASP N N 26 118.459 120.285 -1.826 1
1 310 . 19 1 1 A 27 27 ILE H H 27 9.092 9.063 0.029 1
1 311 . 19 1 1 A 27 27 ILE HA H 27 4.273 4.536 -0.263 1
1 321 . 19 1 1 A 27 27 ILE C C 27 173.976 175.537 -1.561 1
1 322 . 19 1 1 A 27 27 ILE CA C 27 60.306 60.353 -0.047 1
1 323 . 19 1 1 A 27 27 ILE CB C 27 38.339 39.566 -1.227 1
1 327 . 19 1 1 A 27 27 ILE N N 27 124.375 125.481 -1.106 1
1 328 . 19 1 1 A 28 28 ILE H H 28 8.055 8.510 -0.455 1
1 329 . 19 1 1 A 28 28 ILE HA H 28 3.986 4.097 -0.111 1
1 339 . 19 1 1 A 28 28 ILE C C 28 174.733 175.666 -0.933 1
1 340 . 19 1 1 A 28 28 ILE CA C 28 62.414 63.395 -0.981 1
1 341 . 19 1 1 A 28 28 ILE CB C 28 37.450 38.772 -1.322 1
1 345 . 19 1 1 A 28 28 ILE N N 28 127.525 129.206 -1.681 1
1 346 . 19 1 1 A 29 29 ASP H H 29 8.438 8.560 -0.122 1
1 347 . 19 1 1 A 29 29 ASP HA H 29 4.522 5.022 -0.500 1
1 350 . 19 1 1 A 29 29 ASP C C 29 175.289 175.597 -0.308 1
1 351 . 19 1 1 A 29 29 ASP CA C 29 53.316 52.594 0.722 1
1 352 . 19 1 1 A 29 29 ASP CB C 29 39.450 43.935 -4.485 1
1 353 . 19 1 1 A 29 29 ASP N N 29 118.886 117.812 1.074 1
1 354 . 19 1 1 A 30 30 ASP H H 30 8.140 8.722 -0.582 1
1 355 . 19 1 1 A 30 30 ASP HA H 30 4.375 4.454 -0.079 1
1 358 . 19 1 1 A 30 30 ASP C C 30 174.332 177.193 -2.861 1
1 359 . 19 1 1 A 30 30 ASP CA C 30 56.171 56.474 -0.303 1
1 360 . 19 1 1 A 30 30 ASP CB C 30 40.302 40.873 -0.571 1
1 361 . 19 1 1 A 30 30 ASP N N 30 112.219 123.758 -11.539 1
1 362 . 19 1 1 A 31 31 ASN H H 31 8.866 7.981 0.885 1
1 363 . 19 1 1 A 31 31 ASN HA H 31 4.805 4.845 -0.040 1
1 366 . 19 1 1 A 31 31 ASN C C 31 175.926 175.673 0.253 1
1 367 . 19 1 1 A 31 31 ASN CA C 31 54.015 54.127 -0.112 1
1 368 . 19 1 1 A 31 31 ASN CB C 31 42.366 40.527 1.839 1
1 369 . 19 1 1 A 31 31 ASN N N 31 114.650 115.177 -0.527 1
1 370 . 19 1 1 A 32 32 PHE H H 32 8.481 7.937 0.544 1
1 371 . 19 1 1 A 32 32 PHE HA H 32 5.279 5.102 0.177 1
1 376 . 19 1 1 A 32 32 PHE C C 32 173.451 174.097 -0.646 1
1 377 . 19 1 1 A 32 32 PHE CA C 32 57.629 57.047 0.582 1
1 378 . 19 1 1 A 32 32 PHE CB C 32 42.418 39.963 2.455 1
1 379 . 19 1 1 A 32 32 PHE N N 32 117.648 121.296 -3.648 1
1 380 . 19 1 1 A 33 33 VAL H H 33 8.680 9.117 -0.437 1
1 381 . 19 1 1 A 33 33 VAL HA H 33 4.720 4.991 -0.271 1
1 389 . 19 1 1 A 33 33 VAL C C 33 174.458 173.287 1.171 1
1 390 . 19 1 1 A 33 33 VAL CA C 33 58.331 59.339 -1.008 1
1 391 . 19 1 1 A 33 33 VAL CB C 33 34.410 35.935 -1.525 1
1 394 . 19 1 1 A 33 33 VAL N N 33 110.814 120.634 -9.820 1
1 395 . 19 1 1 A 34 34 LEU H H 34 8.696 9.110 -0.414 1
1 396 . 19 1 1 A 34 34 LEU HA H 34 4.871 5.074 -0.203 1
1 406 . 19 1 1 A 34 34 LEU C C 34 172.716 175.038 -2.322 1
1 407 . 19 1 1 A 34 34 LEU CA C 34 53.776 53.262 0.514 1
1 408 . 19 1 1 A 34 34 LEU CB C 34 44.582 45.166 -0.584 1
1 412 . 19 1 1 A 34 34 LEU N N 34 123.160 124.927 -1.767 1
1 413 . 19 1 1 A 35 35 VAL H H 35 8.460 9.029 -0.569 1
1 414 . 19 1 1 A 35 35 VAL HA H 35 5.674 5.221 0.453 1
1 422 . 19 1 1 A 35 35 VAL C C 35 176.009 174.115 1.894 1
1 423 . 19 1 1 A 35 35 VAL CA C 35 57.423 59.633 -2.210 1
1 424 . 19 1 1 A 35 35 VAL CB C 35 35.541 34.571 0.970 1
1 427 . 19 1 1 A 35 35 VAL N N 35 119.184 121.012 -1.828 1
1 428 . 19 1 1 A 36 36 THR H H 36 8.362 8.727 -0.365 1
1 429 . 19 1 1 A 36 36 THR HA H 36 4.535 5.032 -0.497 1
1 434 . 19 1 1 A 36 36 THR C C 36 173.498 173.034 0.464 1
1 435 . 19 1 1 A 36 36 THR CA C 36 59.643 59.658 -0.015 1
1 436 . 19 1 1 A 36 36 THR CB C 36 70.439 71.884 -1.445 1
1 438 . 19 1 1 A 36 36 THR N N 36 109.151 117.709 -8.558 1
1 439 . 19 1 1 A 37 37 GLY H H 37 7.571 9.024 -1.453 1
1 440 . 19 1 1 A 37 37 GLY C C 37 172.460 172.958 -0.498 1
1 441 . 19 1 1 A 37 37 GLY CA C 37 51.421 45.135 6.286 1
1 442 . 19 1 1 A 37 37 GLY N N 37 115.474 113.787 1.687 1
1 443 . 19 1 1 A 38 38 PRO HA H 38 5.235 4.461 0.774 1
1 450 . 19 1 1 A 38 38 PRO CA C 38 60.459 63.292 -2.833 1
1 451 . 19 1 1 A 38 38 PRO CB C 38 35.517 32.129 3.388 1
1 454 . 19 1 1 A 39 39 LYS H H 39 9.463 8.559 0.904 1
1 455 . 19 1 1 A 39 39 LYS HA H 39 3.545 3.999 -0.454 1
1 464 . 19 1 1 A 39 39 LYS C C 39 179.019 178.509 0.510 1
1 465 . 19 1 1 A 39 39 LYS CA C 39 60.344 58.625 1.719 1
1 466 . 19 1 1 A 39 39 LYS CB C 39 31.826 31.814 0.012 1
1 470 . 19 1 1 A 39 39 LYS N N 39 127.869 123.707 4.162 1
1 471 . 19 1 1 A 40 40 ASP H H 40 9.035 7.961 1.074 1
1 472 . 19 1 1 A 40 40 ASP HA H 40 4.375 4.402 -0.027 1
1 475 . 19 1 1 A 40 40 ASP C C 40 177.615 177.621 -0.006 1
1 476 . 19 1 1 A 40 40 ASP CA C 40 55.080 56.371 -1.291 1
1 477 . 19 1 1 A 40 40 ASP CB C 40 39.209 40.843 -1.634 1
1 478 . 19 1 1 A 40 40 ASP N N 40 115.744 119.654 -3.910 1
1 479 . 19 1 1 A 41 41 ILE H H 41 7.739 7.268 0.471 1
1 480 . 19 1 1 A 41 41 ILE HA H 41 4.218 4.151 0.067 1
1 490 . 19 1 1 A 41 41 ILE C C 41 174.826 177.064 -2.238 1
1 491 . 19 1 1 A 41 41 ILE CA C 41 61.664 62.981 -1.317 1
1 492 . 19 1 1 A 41 41 ILE CB C 41 37.453 38.276 -0.823 1
1 496 . 19 1 1 A 41 41 ILE N N 41 116.447 117.221 -0.774 1
1 497 . 19 1 1 A 42 42 THR H H 42 7.766 7.758 0.008 1
1 498 . 19 1 1 A 42 42 THR HA H 42 4.734 4.183 0.551 1
1 503 . 19 1 1 A 42 42 THR C C 42 175.827 175.314 0.513 1
1 504 . 19 1 1 A 42 42 THR CA C 42 60.110 64.685 -4.575 1
1 505 . 19 1 1 A 42 42 THR CB C 42 71.791 69.339 2.452 1
1 507 . 19 1 1 A 42 42 THR N N 42 104.054 112.515 -8.461 1
1 508 . 19 1 1 A 43 43 GLY H H 43 7.844 8.127 -0.283 1
1 509 . 19 1 1 A 43 43 GLY HA2 H 43 4.461 3.952 0.509 1
1 510 . 19 1 1 A 43 43 GLY HA3 H 43 3.836 3.952 -0.116 1
1 511 . 19 1 1 A 43 43 GLY C C 43 175.208 174.728 0.480 1
1 512 . 19 1 1 A 43 43 GLY CA C 43 44.826 46.803 -1.977 1
1 513 . 19 1 1 A 43 43 GLY N N 43 109.006 109.041 -0.035 1
1 514 . 19 1 1 A 44 44 VAL H H 44 7.289 8.042 -0.753 1
1 515 . 19 1 1 A 44 44 VAL HA H 44 3.945 4.042 -0.097 1
1 523 . 19 1 1 A 44 44 VAL C C 44 173.149 175.415 -2.266 1
1 524 . 19 1 1 A 44 44 VAL CA C 44 62.902 62.221 0.681 1
1 525 . 19 1 1 A 44 44 VAL CB C 44 31.715 31.800 -0.085 1
1 528 . 19 1 1 A 44 44 VAL N N 44 120.903 120.080 0.823 1
1 529 . 19 1 1 A 45 45 LYS H H 45 8.308 8.399 -0.091 1
1 530 . 19 1 1 A 45 45 LYS HA H 45 4.190 4.356 -0.166 1
1 539 . 19 1 1 A 45 45 LYS C C 45 175.177 175.891 -0.714 1
1 540 . 19 1 1 A 45 45 LYS CA C 45 56.355 56.738 -0.383 1
1 541 . 19 1 1 A 45 45 LYS CB C 45 33.385 32.602 0.783 1
1 545 . 19 1 1 A 45 45 LYS N N 45 128.406 127.079 1.327 1
1 546 . 19 1 1 A 46 46 ARG H H 46 8.080 8.322 -0.242 1
1 547 . 19 1 1 A 46 46 ARG HA H 46 5.720 4.563 1.157 1
1 554 . 19 1 1 A 46 46 ARG C C 46 173.780 175.223 -1.443 1
1 555 . 19 1 1 A 46 46 ARG CA C 46 54.888 55.887 -0.999 1
1 556 . 19 1 1 A 46 46 ARG CB C 46 29.630 30.793 -1.163 1
1 559 . 19 1 1 A 46 46 ARG N N 46 120.129 124.394 -4.265 1
1 560 . 19 1 1 A 47 47 ARG H H 47 8.452 8.442 0.010 1
1 561 . 19 1 1 A 47 47 ARG HA H 47 4.732 4.626 0.106 1
1 568 . 19 1 1 A 47 47 ARG C C 47 176.138 174.331 1.807 1
1 569 . 19 1 1 A 47 47 ARG CA C 47 54.319 55.460 -1.141 1
1 570 . 19 1 1 A 47 47 ARG CB C 47 33.746 34.509 -0.763 1
1 573 . 19 1 1 A 47 47 ARG N N 47 126.780 120.579 6.201 1
1 574 . 19 1 1 A 48 48 ARG H H 48 8.546 8.293 0.253 1
1 575 . 19 1 1 A 48 48 ARG HA H 48 5.111 4.484 0.627 1
1 582 . 19 1 1 A 48 48 ARG C C 48 174.339 175.843 -1.504 1
1 583 . 19 1 1 A 48 48 ARG CA C 48 55.524 55.835 -0.311 1
1 584 . 19 1 1 A 48 48 ARG CB C 48 31.132 30.438 0.694 1
1 587 . 19 1 1 A 48 48 ARG N N 48 121.931 124.435 -2.504 1
1 588 . 19 1 1 A 49 49 VAL H H 49 9.485 8.531 0.954 1
1 589 . 19 1 1 A 49 49 VAL HA H 49 4.651 4.935 -0.284 1
1 597 . 19 1 1 A 49 49 VAL C C 49 176.112 174.228 1.884 1
1 598 . 19 1 1 A 49 49 VAL CA C 49 60.040 58.734 1.306 1
1 599 . 19 1 1 A 49 49 VAL CB C 49 36.427 35.775 0.652 1
1 602 . 19 1 1 A 49 49 VAL N N 49 122.891 117.726 5.165 1
1 603 . 19 1 1 A 50 50 ASN H H 50 8.569 8.733 -0.164 1
1 604 . 19 1 1 A 50 50 ASN HA H 50 4.213 5.953 -1.740 1
1 607 . 19 1 1 A 50 50 ASN C C 50 173.258 174.294 -1.036 1
1 608 . 19 1 1 A 50 50 ASN CA C 50 52.732 51.893 0.839 1
1 609 . 19 1 1 A 50 50 ASN CB C 50 38.173 40.635 -2.462 1
1 610 . 19 1 1 A 50 50 ASN N N 50 125.736 118.734 7.002 1
1 611 . 19 1 1 A 51 51 ILE H H 51 8.601 8.503 0.098 1
1 612 . 19 1 1 A 51 51 ILE HA H 51 3.632 4.182 -0.550 1
1 622 . 19 1 1 A 51 51 ILE C C 51 176.785 175.435 1.350 1
1 623 . 19 1 1 A 51 51 ILE CA C 51 65.046 60.991 4.055 1
1 624 . 19 1 1 A 51 51 ILE CB C 51 38.532 37.298 1.234 1
1 628 . 19 1 1 A 51 51 ILE N N 51 126.454 123.960 2.494 1
1 629 . 19 1 1 A 52 52 LEU H H 52 8.448 8.752 -0.304 1
1 630 . 19 1 1 A 52 52 LEU HA H 52 4.290 4.619 -0.329 1
1 640 . 19 1 1 A 52 52 LEU C C 52 176.765 176.848 -0.083 1
1 641 . 19 1 1 A 52 52 LEU CA C 52 55.880 56.544 -0.664 1
1 642 . 19 1 1 A 52 52 LEU CB C 52 40.983 44.788 -3.805 1
1 646 . 19 1 1 A 52 52 LEU N N 52 118.365 132.130 -13.765 1
1 647 . 19 1 1 A 53 53 HIS H H 53 8.358 7.950 0.408 1
1 648 . 19 1 1 A 53 53 HIS HA H 53 4.621 4.806 -0.185 1
1 651 . 19 1 1 A 53 53 HIS C C 53 178.018 173.455 4.563 1
1 652 . 19 1 1 A 53 53 HIS CA C 53 53.996 54.612 -0.616 1
1 653 . 19 1 1 A 53 53 HIS CB C 53 30.306 28.867 1.439 1
1 654 . 19 1 1 A 53 53 HIS N N 53 116.672 115.312 1.360 1
1 655 . 19 1 1 A 54 54 LEU H H 54 7.693 8.116 -0.423 1
1 656 . 19 1 1 A 54 54 LEU HA H 54 5.222 5.010 0.212 1
1 666 . 19 1 1 A 54 54 LEU C C 54 173.609 175.324 -1.715 1
1 667 . 19 1 1 A 54 54 LEU CA C 54 52.932 53.677 -0.745 1
1 668 . 19 1 1 A 54 54 LEU CB C 54 45.943 46.120 -0.177 1
1 672 . 19 1 1 A 54 54 LEU N N 54 119.311 116.990 2.321 1
1 673 . 19 1 1 A 55 55 GLU H H 55 9.073 8.829 0.244 1
1 674 . 19 1 1 A 55 55 GLU C C 55 175.102 173.908 1.194 1
1 675 . 19 1 1 A 55 55 GLU CA C 55 52.073 53.355 -1.282 1
1 676 . 19 1 1 A 55 55 GLU CB C 55 31.958 32.733 -0.775 1
1 677 . 19 1 1 A 55 55 GLU N N 55 120.139 118.314 1.825 1
1 678 . 19 1 1 A 56 56 PRO HA H 56 4.903 4.649 0.254 1
1 685 . 19 1 1 A 56 56 PRO CA C 56 63.121 62.422 0.699 1
1 686 . 19 1 1 A 56 56 PRO CB C 56 32.274 32.554 -0.280 1
1 689 . 19 1 1 A 57 57 THR H H 57 8.502 9.286 -0.784 1
1 690 . 19 1 1 A 57 57 THR HA H 57 4.932 4.593 0.339 1
1 695 . 19 1 1 A 57 57 THR C C 57 175.894 175.936 -0.042 1
1 696 . 19 1 1 A 57 57 THR CA C 57 60.602 62.010 -1.408 1
1 697 . 19 1 1 A 57 57 THR CB C 57 71.821 69.944 1.877 1
1 699 . 19 1 1 A 57 57 THR N N 57 113.388 116.825 -3.437 1
1 700 . 19 1 1 A 58 58 ASP H H 58 8.605 8.765 -0.160 1
1 701 . 19 1 1 A 58 58 ASP HA H 58 4.445 4.363 0.082 1
1 704 . 19 1 1 A 58 58 ASP C C 58 173.673 177.168 -3.495 1
1 705 . 19 1 1 A 58 58 ASP CA C 58 53.743 57.774 -4.031 1
1 706 . 19 1 1 A 58 58 ASP CB C 58 39.622 40.959 -1.337 1
1 707 . 19 1 1 A 58 58 ASP N N 58 115.340 122.838 -7.498 1
1 708 . 19 1 1 A 59 59 LYS H H 59 8.544 7.812 0.732 1
1 709 . 19 1 1 A 59 59 LYS HA H 59 4.646 4.385 0.261 1
1 718 . 19 1 1 A 59 59 LYS C C 59 174.972 175.482 -0.510 1
1 719 . 19 1 1 A 59 59 LYS CA C 59 54.336 56.318 -1.982 1
1 720 . 19 1 1 A 59 59 LYS CB C 59 34.626 33.201 1.425 1
1 724 . 19 1 1 A 59 59 LYS N N 59 119.488 117.498 1.990 1
1 725 . 19 1 1 A 60 60 LYS H H 60 8.227 8.373 -0.146 1
1 726 . 19 1 1 A 60 60 LYS HA H 60 4.999 4.802 0.197 1
1 735 . 19 1 1 A 60 60 LYS C C 60 174.256 176.369 -2.113 1
1 736 . 19 1 1 A 60 60 LYS CA C 60 54.465 54.833 -0.368 1
1 737 . 19 1 1 A 60 60 LYS CB C 60 36.153 36.026 0.127 1
1 741 . 19 1 1 A 60 60 LYS N N 60 121.112 122.144 -1.032 1
1 742 . 19 1 1 A 61 61 ILE H H 61 8.527 8.433 0.094 1
1 743 . 19 1 1 A 61 61 ILE HA H 61 4.724 4.237 0.487 1
1 753 . 19 1 1 A 61 61 ILE C C 61 174.330 175.764 -1.434 1
1 754 . 19 1 1 A 61 61 ILE CA C 61 58.831 62.044 -3.213 1
1 755 . 19 1 1 A 61 61 ILE CB C 61 41.357 38.794 2.563 1
1 759 . 19 1 1 A 61 61 ILE N N 61 116.027 122.818 -6.791 1
1 760 . 19 1 1 A 62 62 ASP H H 62 8.513 7.757 0.756 1
1 761 . 19 1 1 A 62 62 ASP HA H 62 4.732 4.292 0.440 1
1 764 . 19 1 1 A 62 62 ASP C C 62 174.224 174.770 -0.546 1
1 765 . 19 1 1 A 62 62 ASP CA C 62 53.163 54.885 -1.722 1
1 766 . 19 1 1 A 62 62 ASP CB C 62 39.686 39.238 0.448 1
1 767 . 19 1 1 A 62 62 ASP N N 62 121.643 121.665 -0.022 1
1 768 . 19 1 1 A 63 63 ILE H H 63 7.389 8.194 -0.805 1
1 769 . 19 1 1 A 63 63 ILE HA H 63 4.641 5.020 -0.379 1
1 779 . 19 1 1 A 63 63 ILE C C 63 174.484 174.851 -0.367 1
1 780 . 19 1 1 A 63 63 ILE CA C 63 58.244 58.204 0.040 1
1 781 . 19 1 1 A 63 63 ILE CB C 63 41.811 41.877 -0.066 1
1 785 . 19 1 1 A 63 63 ILE N N 63 114.509 119.050 -4.541 1
1 786 . 19 1 1 A 64 64 GLN H H 64 8.529 8.333 0.196 1
1 787 . 19 1 1 A 64 64 GLN HA H 64 4.390 4.608 -0.218 1
1 792 . 19 1 1 A 64 64 GLN C C 64 174.409 175.592 -1.183 1
1 793 . 19 1 1 A 64 64 GLN CA C 64 53.860 54.584 -0.724 1
1 794 . 19 1 1 A 64 64 GLN CB C 64 30.086 30.201 -0.115 1
1 796 . 19 1 1 A 64 64 GLN N N 64 119.145 120.507 -1.362 1
1 797 . 19 1 1 A 65 65 LYS H H 65 8.323 8.639 -0.316 1
1 798 . 19 1 1 A 65 65 LYS HA H 65 4.132 4.049 0.083 1
1 807 . 19 1 1 A 65 65 LYS C C 65 174.920 177.388 -2.468 1
1 808 . 19 1 1 A 65 65 LYS CA C 65 57.603 57.843 -0.240 1
1 809 . 19 1 1 A 65 65 LYS CB C 65 32.341 32.267 0.074 1
1 813 . 19 1 1 A 65 65 LYS N N 65 119.780 123.296 -3.516 1
1 814 . 19 1 1 A 66 66 GLY H H 66 9.313 8.790 0.523 1
1 815 . 19 1 1 A 66 66 GLY HA2 H 66 4.093 4.029 0.064 1
1 816 . 19 1 1 A 66 66 GLY HA3 H 66 3.297 4.030 -0.733 1
1 817 . 19 1 1 A 66 66 GLY C C 66 177.892 174.378 3.514 1
1 818 . 19 1 1 A 66 66 GLY CA C 66 44.953 45.746 -0.793 1
1 819 . 19 1 1 A 66 66 GLY N N 66 112.449 114.264 -1.815 1
1 820 . 19 1 1 A 67 67 ALA H H 67 7.545 7.357 0.188 1
1 821 . 19 1 1 A 67 67 ALA HA H 67 4.081 4.649 -0.568 1
1 825 . 19 1 1 A 67 67 ALA C C 67 173.517 175.798 -2.281 1
1 826 . 19 1 1 A 67 67 ALA CA C 67 52.802 51.201 1.601 1
1 827 . 19 1 1 A 67 67 ALA CB C 67 20.424 20.891 -0.467 1
1 828 . 19 1 1 A 67 67 ALA N N 67 121.516 123.725 -2.209 1
1 829 . 19 1 1 A 68 68 SER H H 68 8.904 8.740 0.164 1
1 830 . 19 1 1 A 68 68 SER HA H 68 4.261 4.937 -0.676 1
1 833 . 19 1 1 A 68 68 SER C C 68 177.019 174.594 2.425 1
1 834 . 19 1 1 A 68 68 SER CA C 68 57.321 57.265 0.056 1
1 835 . 19 1 1 A 68 68 SER CB C 68 65.064 65.851 -0.787 1
1 836 . 19 1 1 A 68 68 SER N N 68 119.470 114.503 4.967 1
1 837 . 19 1 1 A 69 69 ASP H H 69 9.379 8.987 0.392 1
1 838 . 19 1 1 A 69 69 ASP HA H 69 4.184 4.234 -0.050 1
1 841 . 19 1 1 A 69 69 ASP C C 69 173.831 177.943 -4.112 1
1 842 . 19 1 1 A 69 69 ASP CA C 69 57.843 57.968 -0.125 1
1 843 . 19 1 1 A 69 69 ASP CB C 69 39.367 41.143 -1.776 1
1 844 . 19 1 1 A 69 69 ASP N N 69 122.205 125.182 -2.977 1
1 845 . 19 1 1 A 70 70 GLU H H 70 8.454 8.384 0.070 1
1 846 . 19 1 1 A 70 70 GLU HA H 70 3.966 3.987 -0.021 1
1 851 . 19 1 1 A 70 70 GLU C C 70 177.979 179.033 -1.054 1
1 852 . 19 1 1 A 70 70 GLU CA C 70 59.987 59.843 0.144 1
1 853 . 19 1 1 A 70 70 GLU CB C 70 28.804 29.122 -0.318 1
1 855 . 19 1 1 A 70 70 GLU N N 70 118.426 118.631 -0.205 1
1 856 . 19 1 1 A 71 71 GLU H H 71 7.835 8.073 -0.238 1
1 857 . 19 1 1 A 71 71 GLU HA H 71 4.050 4.120 -0.070 1
1 862 . 19 1 1 A 71 71 GLU C C 71 178.486 179.165 -0.679 1
1 863 . 19 1 1 A 71 71 GLU CA C 71 58.998 59.052 -0.054 1
1 864 . 19 1 1 A 71 71 GLU CB C 71 29.068 29.485 -0.417 1
1 866 . 19 1 1 A 71 71 GLU N N 71 122.166 119.435 2.731 1
1 867 . 19 1 1 A 72 72 VAL H H 72 8.387 8.358 0.029 1
1 868 . 19 1 1 A 72 72 VAL HA H 72 3.295 3.485 -0.190 1
1 876 . 19 1 1 A 72 72 VAL C C 72 178.603 178.091 0.512 1
1 877 . 19 1 1 A 72 72 VAL CA C 72 66.989 67.063 -0.074 1
1 878 . 19 1 1 A 72 72 VAL CB C 72 31.242 31.235 0.007 1
1 881 . 19 1 1 A 72 72 VAL N N 72 118.871 120.578 -1.707 1
1 882 . 19 1 1 A 73 73 LYS H H 73 8.619 8.091 0.528 1
1 883 . 19 1 1 A 73 73 LYS HA H 73 3.734 3.946 -0.212 1
1 892 . 19 1 1 A 73 73 LYS C C 73 177.118 178.906 -1.788 1
1 893 . 19 1 1 A 73 73 LYS CA C 73 60.695 58.838 1.857 1
1 894 . 19 1 1 A 73 73 LYS CB C 73 32.320 31.971 0.349 1
1 898 . 19 1 1 A 73 73 LYS N N 73 118.351 119.883 -1.532 1
1 899 . 19 1 1 A 74 74 LYS H H 74 7.886 7.622 0.264 1
1 900 . 19 1 1 A 74 74 LYS HA H 74 4.133 4.314 -0.181 1
1 909 . 19 1 1 A 74 74 LYS C C 74 178.306 179.406 -1.100 1
1 910 . 19 1 1 A 74 74 LYS CA C 74 58.954 59.701 -0.747 1
1 911 . 19 1 1 A 74 74 LYS CB C 74 31.974 32.287 -0.313 1
1 915 . 19 1 1 A 74 74 LYS N N 74 118.808 118.699 0.109 1
1 916 . 19 1 1 A 75 75 LYS H H 75 8.118 7.961 0.157 1
1 917 . 19 1 1 A 75 75 LYS HA H 75 4.228 4.020 0.208 1
1 926 . 19 1 1 A 75 75 LYS C C 75 178.795 179.412 -0.617 1
1 927 . 19 1 1 A 75 75 LYS CA C 75 57.158 59.084 -1.926 1
1 928 . 19 1 1 A 75 75 LYS CB C 75 31.382 31.936 -0.554 1
1 932 . 19 1 1 A 75 75 LYS N N 75 118.374 120.121 -1.747 1
1 933 . 19 1 1 A 76 76 LEU H H 76 8.778 8.310 0.468 1
1 934 . 19 1 1 A 76 76 LEU HA H 76 3.931 4.024 -0.093 1
1 944 . 19 1 1 A 76 76 LEU C C 76 180.241 179.279 0.962 1
1 945 . 19 1 1 A 76 76 LEU CA C 76 58.203 57.965 0.238 1
1 946 . 19 1 1 A 76 76 LEU CB C 76 42.015 41.091 0.924 1
1 950 . 19 1 1 A 76 76 LEU N N 76 121.253 120.541 0.712 1
1 951 . 19 1 1 A 77 77 GLU H H 77 7.951 8.069 -0.118 1
1 952 . 19 1 1 A 77 77 GLU HA H 77 4.227 3.968 0.259 1
1 957 . 19 1 1 A 77 77 GLU C C 77 178.403 179.456 -1.053 1
1 958 . 19 1 1 A 77 77 GLU CA C 77 58.892 59.858 -0.966 1
1 959 . 19 1 1 A 77 77 GLU CB C 77 28.925 29.297 -0.372 1
1 961 . 19 1 1 A 77 77 GLU N N 77 119.306 119.103 0.203 1
1 962 . 19 1 1 A 78 78 GLU H H 78 8.595 8.717 -0.122 1
1 963 . 19 1 1 A 78 78 GLU HA H 78 4.099 4.043 0.056 1
1 968 . 19 1 1 A 78 78 GLU C C 78 180.586 177.645 2.941 1
1 969 . 19 1 1 A 78 78 GLU CA C 78 58.850 59.212 -0.362 1
1 970 . 19 1 1 A 78 78 GLU CB C 78 29.878 29.399 0.479 1
1 972 . 19 1 1 A 78 78 GLU N N 78 120.814 120.792 0.022 1
1 973 . 19 1 1 A 79 79 SER H H 79 7.519 7.508 0.011 1
1 974 . 19 1 1 A 79 79 SER HA H 79 4.592 4.544 0.048 1
1 977 . 19 1 1 A 79 79 SER C C 79 177.761 174.139 3.622 1
1 978 . 19 1 1 A 79 79 SER CA C 79 58.324 58.072 0.252 1
1 979 . 19 1 1 A 79 79 SER CB C 79 63.796 63.516 0.280 1
1 980 . 19 1 1 A 79 79 SER N N 79 110.823 112.910 -2.087 1
1 981 . 19 1 1 A 80 80 ASN H H 80 8.126 8.142 -0.016 1
1 982 . 19 1 1 A 80 80 ASN HA H 80 4.700 4.431 0.269 1
1 985 . 19 1 1 A 80 80 ASN C C 80 172.562 175.816 -3.254 1
1 986 . 19 1 1 A 80 80 ASN CA C 80 53.603 54.242 -0.639 1
1 987 . 19 1 1 A 80 80 ASN CB C 80 36.754 37.919 -1.165 1
1 988 . 19 1 1 A 80 80 ASN N N 80 117.027 118.841 -1.814 1
1 989 . 19 1 1 A 81 81 LEU H H 81 8.526 8.094 0.432 1
1 990 . 19 1 1 A 81 81 LEU HA H 81 4.767 4.510 0.257 1
1 1000 . 19 1 1 A 81 81 LEU C C 81 175.743 177.854 -2.111 1
1 1001 . 19 1 1 A 81 81 LEU CA C 81 54.008 54.295 -0.287 1
1 1002 . 19 1 1 A 81 81 LEU CB C 81 45.026 42.419 2.607 1
1 1006 . 19 1 1 A 81 81 LEU N N 81 114.910 120.178 -5.268 1
1 1007 . 19 1 1 A 82 82 THR H H 82 7.848 7.730 0.118 1
1 1008 . 19 1 1 A 82 82 THR HA H 82 4.117 3.904 0.213 1
1 1013 . 19 1 1 A 82 82 THR C C 82 176.676 176.085 0.591 1
1 1014 . 19 1 1 A 82 82 THR CA C 82 67.474 67.016 0.458 1
1 1015 . 19 1 1 A 82 82 THR CB C 82 68.235 68.595 -0.360 1
1 1017 . 19 1 1 A 82 82 THR N N 82 117.802 114.120 3.682 1
1 1018 . 19 1 1 A 83 83 GLU H H 83 8.335 8.298 0.037 1
1 1019 . 19 1 1 A 83 83 GLU HA H 83 3.915 4.001 -0.086 1
1 1024 . 19 1 1 A 83 83 GLU C C 83 175.177 178.354 -3.177 1
1 1025 . 19 1 1 A 83 83 GLU CA C 83 59.541 59.641 -0.100 1
1 1026 . 19 1 1 A 83 83 GLU CB C 83 27.819 29.579 -1.760 1
1 1028 . 19 1 1 A 83 83 GLU N N 83 118.314 121.363 -3.049 1
1 1029 . 19 1 1 A 84 84 TYR H H 84 8.043 8.354 -0.311 1
1 1030 . 19 1 1 A 84 84 TYR HA H 84 4.111 4.133 -0.022 1
1 1037 . 19 1 1 A 84 84 TYR C C 84 179.081 177.690 1.391 1
1 1038 . 19 1 1 A 84 84 TYR CA C 84 60.788 61.038 -0.250 1
1 1039 . 19 1 1 A 84 84 TYR CB C 84 37.753 38.910 -1.157 1
1 1040 . 19 1 1 A 84 84 TYR N N 84 121.386 121.337 0.049 1
1 1041 . 19 1 1 A 85 85 MET H H 85 8.101 7.844 0.257 1
1 1042 . 19 1 1 A 85 85 MET HA H 85 4.259 4.482 -0.223 1
1 1047 . 19 1 1 A 85 85 MET C C 85 178.628 178.316 0.312 1
1 1048 . 19 1 1 A 85 85 MET CA C 85 55.244 57.748 -2.504 1
1 1049 . 19 1 1 A 85 85 MET CB C 85 29.597 32.255 -2.658 1
1 1051 . 19 1 1 A 85 85 MET N N 85 116.695 118.706 -2.011 1
1 1052 . 19 1 1 A 86 86 LYS H H 86 7.301 7.724 -0.423 1
1 1053 . 19 1 1 A 86 86 LYS HA H 86 3.937 4.186 -0.249 1
1 1062 . 19 1 1 A 86 86 LYS C C 86 175.934 177.508 -1.574 1
1 1063 . 19 1 1 A 86 86 LYS CA C 86 57.318 59.239 -1.921 1
1 1064 . 19 1 1 A 86 86 LYS CB C 86 32.956 32.298 0.658 1
1 1068 . 19 1 1 A 86 86 LYS N N 86 114.957 117.460 -2.503 1
1 1069 . 19 1 1 A 87 87 GLU H H 87 7.031 7.435 -0.404 1
1 1070 . 19 1 1 A 87 87 GLU HA H 87 4.185 4.284 -0.099 1
1 1075 . 19 1 1 A 87 87 GLU C C 87 176.247 176.087 0.160 1
1 1076 . 19 1 1 A 87 87 GLU CA C 87 55.780 56.559 -0.779 1
1 1077 . 19 1 1 A 87 87 GLU CB C 87 29.358 30.282 -0.924 1
1 1079 . 19 1 1 A 87 87 GLU N N 87 119.315 118.421 0.894 1
1 1080 . 19 1 1 A 88 88 LYS H H 88 8.466 8.727 -0.261 1
1 1081 . 19 1 1 A 88 88 LYS HA H 88 4.568 5.008 -0.440 1
1 1090 . 19 1 1 A 88 88 LYS C C 88 175.539 176.010 -0.471 1
1 1091 . 19 1 1 A 88 88 LYS CA C 88 55.271 54.592 0.679 1
1 1092 . 19 1 1 A 88 88 LYS CB C 88 33.457 35.091 -1.634 1
1 1096 . 19 1 1 A 88 88 LYS N N 88 127.402 120.072 7.330 1
1 1097 . 19 1 1 A 89 89 ILE H H 89 8.752 8.407 0.345 1
1 1098 . 19 1 1 A 89 89 ILE HA H 89 4.249 4.100 0.149 1
1 1108 . 19 1 1 A 89 89 ILE C C 89 176.471 175.537 0.934 1
1 1109 . 19 1 1 A 89 89 ILE CA C 89 59.014 61.463 -2.449 1
1 1110 . 19 1 1 A 89 89 ILE CB C 89 38.437 37.977 0.460 1
1 1114 . 19 1 1 A 89 89 ILE N N 89 122.906 121.220 1.686 1
1 1115 . 19 1 1 A 90 90 LYS H H 90 8.394 8.554 -0.160 1
1 1116 . 19 1 1 A 90 90 LYS HA H 90 4.284 4.765 -0.481 1
1 1125 . 19 1 1 A 90 90 LYS C C 90 175.276 175.143 0.133 1
1 1126 . 19 1 1 A 90 90 LYS CA C 90 55.821 55.382 0.439 1
1 1127 . 19 1 1 A 90 90 LYS CB C 90 31.860 33.294 -1.434 1
1 1131 . 19 1 1 A 90 90 LYS N N 90 125.894 127.289 -1.395 1
1 1132 . 19 1 1 A 91 91 ILE H H 91 8.141 8.797 -0.656 1
1 1133 . 19 1 1 A 91 91 ILE HA H 91 4.165 4.434 -0.269 1
1 1143 . 19 1 1 A 91 91 ILE C C 91 175.506 175.833 -0.327 1
1 1144 . 19 1 1 A 91 91 ILE CA C 91 59.516 60.646 -1.130 1
1 1145 . 19 1 1 A 91 91 ILE CB C 91 37.991 37.433 0.558 1
1 1149 . 19 1 1 A 91 91 ILE N N 91 124.934 126.668 -1.734 1
1 1150 . 19 1 1 A 92 92 ARG H H 92 8.488 8.517 -0.029 1
1 1151 . 19 1 1 A 92 92 ARG HA H 92 4.318 4.982 -0.664 1
1 1158 . 19 1 1 A 92 92 ARG C C 92 175.508 175.458 0.050 1
1 1159 . 19 1 1 A 92 92 ARG CA C 92 55.708 55.073 0.635 1
1 1160 . 19 1 1 A 92 92 ARG CB C 92 30.394 32.459 -2.065 1
1 1163 . 19 1 1 A 92 92 ARG N N 92 126.033 125.977 0.056 1
1 1164 . 19 1 1 A 93 93 MET H H 93 8.362 8.662 -0.300 1
1 1165 . 19 1 1 A 93 93 MET C C 93 175.367 174.352 1.015 1
1 1166 . 19 1 1 A 93 93 MET CA C 93 52.994 52.515 0.479 1
1 1167 . 19 1 1 A 93 93 MET CB C 93 32.271 33.947 -1.676 1
1 1168 . 19 1 1 A 93 93 MET N N 93 123.282 118.206 5.076 1
1 1169 . 19 1 1 A 94 94 PRO HA H 94 4.505 4.611 -0.106 1
1 1176 . 19 1 1 A 94 94 PRO CA C 94 62.884 62.947 -0.063 1
1 1177 . 19 1 1 A 94 94 PRO CB C 94 31.885 31.502 0.383 1
1 1180 . 19 1 1 A 95 95 THR H H 95 8.180 8.183 -0.003 1
1 1181 . 19 1 1 A 95 95 THR HA H 95 4.320 4.403 -0.083 1
1 1186 . 19 1 1 A 95 95 THR C C 95 176.463 174.410 2.053 1
1 1187 . 19 1 1 A 95 95 THR CA C 95 61.391 61.355 0.036 1
1 1188 . 19 1 1 A 95 95 THR CB C 95 69.583 68.901 0.682 1
1 1190 . 19 1 1 A 95 95 THR N N 95 114.511 113.829 0.682 1
1 1 . 20 1 1 A 2 2 PRO HA H 2 4.279 4.645 -0.366 1
1 8 . 20 1 1 A 2 2 PRO CA C 2 61.757 62.402 -0.645 1
1 9 . 20 1 1 A 2 2 PRO CB C 2 32.181 31.539 0.642 1
1 12 . 20 1 1 A 3 3 ALA H H 3 8.418 8.357 0.061 1
1 13 . 20 1 1 A 3 3 ALA HA H 3 4.242 4.406 -0.164 1
1 17 . 20 1 1 A 3 3 ALA C C 3 171.733 177.155 -5.422 1
1 18 . 20 1 1 A 3 3 ALA CA C 3 53.120 51.931 1.189 1
1 19 . 20 1 1 A 3 3 ALA CB C 3 19.076 19.557 -0.481 1
1 20 . 20 1 1 A 3 3 ALA N N 3 122.573 124.822 -2.249 1
1 21 . 20 1 1 A 4 4 ILE H H 4 8.389 8.488 -0.099 1
1 22 . 20 1 1 A 4 4 ILE HA H 4 3.730 4.043 -0.313 1
1 32 . 20 1 1 A 4 4 ILE C C 4 177.391 175.739 1.652 1
1 33 . 20 1 1 A 4 4 ILE CA C 4 60.039 61.666 -1.627 1
1 34 . 20 1 1 A 4 4 ILE CB C 4 34.720 37.205 -2.485 1
1 38 . 20 1 1 A 4 4 ILE N N 4 119.283 118.823 0.460 1
1 39 . 20 1 1 A 5 5 GLU H H 5 6.799 8.249 -1.450 1
1 40 . 20 1 1 A 5 5 GLU HA H 5 4.630 4.941 -0.311 1
1 45 . 20 1 1 A 5 5 GLU C C 5 173.009 174.649 -1.640 1
1 46 . 20 1 1 A 5 5 GLU CA C 5 53.474 54.469 -0.995 1
1 47 . 20 1 1 A 5 5 GLU CB C 5 32.091 32.990 -0.899 1
1 49 . 20 1 1 A 5 5 GLU N N 5 122.616 123.754 -1.138 1
1 50 . 20 1 1 A 6 6 VAL H H 6 8.899 8.513 0.386 1
1 51 . 20 1 1 A 6 6 VAL HA H 6 3.318 4.457 -1.139 1
1 59 . 20 1 1 A 6 6 VAL C C 6 174.172 176.583 -2.411 1
1 60 . 20 1 1 A 6 6 VAL CA C 6 65.581 62.913 2.668 1
1 61 . 20 1 1 A 6 6 VAL CB C 6 30.939 31.676 -0.737 1
1 64 . 20 1 1 A 6 6 VAL N N 6 122.205 117.979 4.226 1
1 65 . 20 1 1 A 7 7 GLY H H 7 9.478 9.012 0.466 1
1 66 . 20 1 1 A 7 7 GLY HA2 H 7 5.016 3.971 1.045 1
1 67 . 20 1 1 A 7 7 GLY HA3 H 7 3.187 3.974 -0.787 1
1 68 . 20 1 1 A 7 7 GLY C C 7 176.688 174.180 2.508 1
1 69 . 20 1 1 A 7 7 GLY CA C 7 44.580 44.967 -0.387 1
1 70 . 20 1 1 A 7 7 GLY N N 7 115.742 115.300 0.442 1
1 71 . 20 1 1 A 8 8 ARG H H 8 8.128 7.536 0.592 1
1 72 . 20 1 1 A 8 8 ARG HA H 8 4.226 4.464 -0.238 1
1 79 . 20 1 1 A 8 8 ARG C C 8 173.667 175.482 -1.815 1
1 80 . 20 1 1 A 8 8 ARG CA C 8 54.906 55.453 -0.547 1
1 81 . 20 1 1 A 8 8 ARG CB C 8 29.331 30.809 -1.478 1
1 84 . 20 1 1 A 8 8 ARG N N 8 120.180 121.864 -1.684 1
1 85 . 20 1 1 A 9 9 ILE H H 9 8.571 8.566 0.005 1
1 86 . 20 1 1 A 9 9 ILE HA H 9 4.965 4.369 0.596 1
1 96 . 20 1 1 A 9 9 ILE C C 9 175.361 175.382 -0.021 1
1 97 . 20 1 1 A 9 9 ILE CA C 9 61.241 62.084 -0.843 1
1 98 . 20 1 1 A 9 9 ILE CB C 9 36.712 37.259 -0.547 1
1 102 . 20 1 1 A 9 9 ILE N N 9 129.626 126.781 2.845 1
1 103 . 20 1 1 A 10 10 CYS H H 10 9.614 9.169 0.445 1
1 104 . 20 1 1 A 10 10 CYS HA H 10 5.471 5.381 0.090 1
1 107 . 20 1 1 A 10 10 CYS C C 10 177.158 172.905 4.253 1
1 108 . 20 1 1 A 10 10 CYS CA C 10 57.088 57.239 -0.151 1
1 109 . 20 1 1 A 10 10 CYS CB C 10 32.935 30.508 2.427 1
1 110 . 20 1 1 A 10 10 CYS N N 10 126.595 126.757 -0.162 1
1 111 . 20 1 1 A 11 11 VAL H H 11 8.926 9.159 -0.233 1
1 112 . 20 1 1 A 11 11 VAL HA H 11 4.351 4.394 -0.043 1
1 120 . 20 1 1 A 11 11 VAL C C 11 172.010 175.268 -3.258 1
1 121 . 20 1 1 A 11 11 VAL CA C 11 60.857 60.995 -0.138 1
1 122 . 20 1 1 A 11 11 VAL CB C 11 33.989 33.475 0.514 1
1 125 . 20 1 1 A 11 11 VAL N N 11 119.765 125.055 -5.290 1
1 126 . 20 1 1 A 12 12 LYS H H 12 8.961 8.603 0.358 1
1 127 . 20 1 1 A 12 12 LYS HA H 12 4.510 4.357 0.153 1
1 136 . 20 1 1 A 12 12 LYS C C 12 175.625 176.416 -0.791 1
1 137 . 20 1 1 A 12 12 LYS CA C 12 56.422 55.174 1.248 1
1 138 . 20 1 1 A 12 12 LYS CB C 12 32.726 30.917 1.809 1
1 142 . 20 1 1 A 12 12 LYS N N 12 127.967 128.453 -0.486 1
1 143 . 20 1 1 A 13 13 VAL H H 13 8.522 7.677 0.845 1
1 144 . 20 1 1 A 13 13 VAL HA H 13 4.518 3.854 0.664 1
1 152 . 20 1 1 A 13 13 VAL C C 13 176.284 176.087 0.197 1
1 153 . 20 1 1 A 13 13 VAL CA C 13 61.492 64.875 -3.383 1
1 154 . 20 1 1 A 13 13 VAL CB C 13 32.089 31.783 0.306 1
1 157 . 20 1 1 A 13 13 VAL N N 13 118.593 124.870 -6.277 1
1 158 . 20 1 1 A 14 14 LYS H H 14 7.310 7.984 -0.674 1
1 159 . 20 1 1 A 14 14 LYS HA H 14 4.580 4.485 0.095 1
1 168 . 20 1 1 A 14 14 LYS C C 14 174.043 176.276 -2.233 1
1 169 . 20 1 1 A 14 14 LYS CA C 14 54.090 55.130 -1.040 1
1 170 . 20 1 1 A 14 14 LYS CB C 14 36.489 31.217 5.272 1
1 174 . 20 1 1 A 14 14 LYS N N 14 117.809 119.688 -1.879 1
1 175 . 20 1 1 A 15 15 GLY H H 15 8.548 8.250 0.298 1
1 176 . 20 1 1 A 15 15 GLY HA2 H 15 4.264 4.160 0.104 1
1 177 . 20 1 1 A 15 15 GLY HA3 H 15 3.845 4.183 -0.338 1
1 178 . 20 1 1 A 15 15 GLY C C 15 175.166 174.048 1.118 1
1 179 . 20 1 1 A 15 15 GLY CA C 15 43.993 46.139 -2.146 1
1 180 . 20 1 1 A 15 15 GLY N N 15 108.732 111.282 -2.550 1
1 181 . 20 1 1 A 16 16 ARG H H 16 8.618 8.597 0.021 1
1 182 . 20 1 1 A 16 16 ARG HA H 16 4.082 4.594 -0.512 1
1 189 . 20 1 1 A 16 16 ARG C C 16 174.254 176.746 -2.492 1
1 190 . 20 1 1 A 16 16 ARG CA C 16 57.950 56.993 0.957 1
1 191 . 20 1 1 A 16 16 ARG CB C 16 29.776 32.542 -2.766 1
1 194 . 20 1 1 A 16 16 ARG N N 16 120.561 122.140 -1.579 1
1 195 . 20 1 1 A 17 17 GLU H H 17 8.935 8.224 0.711 1
1 196 . 20 1 1 A 17 17 GLU HA H 17 4.190 4.415 -0.225 1
1 201 . 20 1 1 A 17 17 GLU C C 17 177.426 175.763 1.663 1
1 202 . 20 1 1 A 17 17 GLU CA C 17 55.386 56.304 -0.918 1
1 203 . 20 1 1 A 17 17 GLU CB C 17 27.412 30.242 -2.830 1
1 205 . 20 1 1 A 17 17 GLU N N 17 115.930 118.866 -2.936 1
1 206 . 20 1 1 A 18 18 ALA H H 18 7.267 7.999 -0.732 1
1 207 . 20 1 1 A 18 18 ALA HA H 18 3.737 4.518 -0.781 1
1 211 . 20 1 1 A 18 18 ALA C C 18 174.969 177.565 -2.596 1
1 212 . 20 1 1 A 18 18 ALA CA C 18 53.272 53.414 -0.142 1
1 213 . 20 1 1 A 18 18 ALA CB C 18 17.382 17.708 -0.326 1
1 214 . 20 1 1 A 18 18 ALA N N 18 120.485 120.780 -0.295 1
1 215 . 20 1 1 A 19 19 GLY H H 19 9.424 8.113 1.311 1
1 216 . 20 1 1 A 19 19 GLY HA2 H 19 4.680 3.829 0.851 1
1 217 . 20 1 1 A 19 19 GLY HA3 H 19 3.451 3.841 -0.390 1
1 218 . 20 1 1 A 19 19 GLY C C 19 178.386 174.448 3.938 1
1 219 . 20 1 1 A 19 19 GLY CA C 19 44.905 46.707 -1.802 1
1 220 . 20 1 1 A 19 19 GLY N N 19 112.194 106.098 6.096 1
1 221 . 20 1 1 A 20 20 SER H H 20 8.162 7.776 0.386 1
1 222 . 20 1 1 A 20 20 SER HA H 20 4.861 4.493 0.368 1
1 225 . 20 1 1 A 20 20 SER C C 20 173.441 174.257 -0.816 1
1 226 . 20 1 1 A 20 20 SER CA C 20 58.253 57.475 0.778 1
1 227 . 20 1 1 A 20 20 SER CB C 20 64.447 62.466 1.981 1
1 228 . 20 1 1 A 20 20 SER N N 20 115.207 112.173 3.034 1
1 229 . 20 1 1 A 21 21 LYS H H 21 8.836 8.157 0.679 1
1 230 . 20 1 1 A 21 21 LYS HA H 21 5.369 4.475 0.894 1
1 239 . 20 1 1 A 21 21 LYS C C 21 172.859 175.958 -3.099 1
1 240 . 20 1 1 A 21 21 LYS CA C 21 55.508 56.468 -0.960 1
1 241 . 20 1 1 A 21 21 LYS CB C 21 34.795 33.519 1.276 1
1 245 . 20 1 1 A 21 21 LYS N N 21 121.269 125.850 -4.581 1
1 246 . 20 1 1 A 22 22 CYS H H 22 8.905 8.679 0.226 1
1 247 . 20 1 1 A 22 22 CYS HA H 22 5.527 5.125 0.402 1
1 250 . 20 1 1 A 22 22 CYS C C 22 174.204 172.940 1.264 1
1 251 . 20 1 1 A 22 22 CYS CA C 22 55.584 57.859 -2.275 1
1 252 . 20 1 1 A 22 22 CYS CB C 22 30.941 32.337 -1.396 1
1 253 . 20 1 1 A 22 22 CYS N N 22 110.073 119.834 -9.761 1
1 254 . 20 1 1 A 23 23 VAL H H 23 9.325 8.749 0.576 1
1 255 . 20 1 1 A 23 23 VAL HA H 23 4.761 4.706 0.055 1
1 263 . 20 1 1 A 23 23 VAL C C 23 171.121 175.796 -4.675 1
1 264 . 20 1 1 A 23 23 VAL CA C 23 60.552 60.975 -0.423 1
1 265 . 20 1 1 A 23 23 VAL CB C 23 35.141 34.223 0.918 1
1 268 . 20 1 1 A 23 23 VAL N N 23 119.042 122.111 -3.069 1
1 269 . 20 1 1 A 24 24 ILE H H 24 8.239 8.687 -0.448 1
1 270 . 20 1 1 A 24 24 ILE HA H 24 4.239 4.096 0.143 1
1 280 . 20 1 1 A 24 24 ILE C C 24 175.805 175.840 -0.035 1
1 281 . 20 1 1 A 24 24 ILE CA C 24 62.552 61.923 0.629 1
1 282 . 20 1 1 A 24 24 ILE CB C 24 36.819 36.854 -0.035 1
1 286 . 20 1 1 A 24 24 ILE N N 24 124.259 127.459 -3.200 1
1 287 . 20 1 1 A 25 25 VAL H H 25 9.205 8.793 0.412 1
1 288 . 20 1 1 A 25 25 VAL HA H 25 4.689 4.193 0.496 1
1 296 . 20 1 1 A 25 25 VAL C C 25 175.650 175.432 0.218 1
1 297 . 20 1 1 A 25 25 VAL CA C 25 60.947 63.498 -2.551 1
1 298 . 20 1 1 A 25 25 VAL CB C 25 32.986 33.072 -0.086 1
1 301 . 20 1 1 A 25 25 VAL N N 25 121.805 128.901 -7.096 1
1 302 . 20 1 1 A 26 26 ASP H H 26 8.103 7.840 0.263 1
1 303 . 20 1 1 A 26 26 ASP HA H 26 4.771 5.054 -0.283 1
1 306 . 20 1 1 A 26 26 ASP C C 26 174.343 173.904 0.439 1
1 307 . 20 1 1 A 26 26 ASP CA C 26 53.671 52.989 0.682 1
1 308 . 20 1 1 A 26 26 ASP CB C 26 43.563 44.488 -0.925 1
1 309 . 20 1 1 A 26 26 ASP N N 26 118.459 117.887 0.572 1
1 310 . 20 1 1 A 27 27 ILE H H 27 9.092 8.751 0.341 1
1 311 . 20 1 1 A 27 27 ILE HA H 27 4.273 4.668 -0.395 1
1 321 . 20 1 1 A 27 27 ILE C C 27 173.976 175.549 -1.573 1
1 322 . 20 1 1 A 27 27 ILE CA C 27 60.306 60.477 -0.171 1
1 323 . 20 1 1 A 27 27 ILE CB C 27 38.339 40.070 -1.731 1
1 327 . 20 1 1 A 27 27 ILE N N 27 124.375 120.629 3.746 1
1 328 . 20 1 1 A 28 28 ILE H H 28 8.055 8.870 -0.815 1
1 329 . 20 1 1 A 28 28 ILE HA H 28 3.986 4.040 -0.054 1
1 339 . 20 1 1 A 28 28 ILE C C 28 174.733 176.078 -1.345 1
1 340 . 20 1 1 A 28 28 ILE CA C 28 62.414 63.495 -1.081 1
1 341 . 20 1 1 A 28 28 ILE CB C 28 37.450 38.680 -1.230 1
1 345 . 20 1 1 A 28 28 ILE N N 28 127.525 129.224 -1.699 1
1 346 . 20 1 1 A 29 29 ASP H H 29 8.438 8.044 0.394 1
1 347 . 20 1 1 A 29 29 ASP HA H 29 4.522 4.981 -0.459 1
1 350 . 20 1 1 A 29 29 ASP C C 29 175.289 176.198 -0.909 1
1 351 . 20 1 1 A 29 29 ASP CA C 29 53.316 52.759 0.557 1
1 352 . 20 1 1 A 29 29 ASP CB C 29 39.450 42.297 -2.847 1
1 353 . 20 1 1 A 29 29 ASP N N 29 118.886 118.367 0.519 1
1 354 . 20 1 1 A 30 30 ASP H H 30 8.140 8.825 -0.685 1
1 355 . 20 1 1 A 30 30 ASP HA H 30 4.375 4.588 -0.213 1
1 358 . 20 1 1 A 30 30 ASP C C 30 174.332 177.464 -3.132 1
1 359 . 20 1 1 A 30 30 ASP CA C 30 56.171 55.689 0.482 1
1 360 . 20 1 1 A 30 30 ASP CB C 30 40.302 40.898 -0.596 1
1 361 . 20 1 1 A 30 30 ASP N N 30 112.219 118.370 -6.151 1
1 362 . 20 1 1 A 31 31 ASN H H 31 8.866 8.913 -0.047 1
1 363 . 20 1 1 A 31 31 ASN HA H 31 4.805 5.024 -0.219 1
1 366 . 20 1 1 A 31 31 ASN C C 31 175.926 174.760 1.166 1
1 367 . 20 1 1 A 31 31 ASN CA C 31 54.015 54.715 -0.700 1
1 368 . 20 1 1 A 31 31 ASN CB C 31 42.366 40.882 1.484 1
1 369 . 20 1 1 A 31 31 ASN N N 31 114.650 116.924 -2.274 1
1 370 . 20 1 1 A 32 32 PHE H H 32 8.481 8.795 -0.314 1
1 371 . 20 1 1 A 32 32 PHE HA H 32 5.279 4.794 0.485 1
1 376 . 20 1 1 A 32 32 PHE C C 32 173.451 175.455 -2.004 1
1 377 . 20 1 1 A 32 32 PHE CA C 32 57.629 57.786 -0.157 1
1 378 . 20 1 1 A 32 32 PHE CB C 32 42.418 39.531 2.887 1
1 379 . 20 1 1 A 32 32 PHE N N 32 117.648 116.787 0.861 1
1 380 . 20 1 1 A 33 33 VAL H H 33 8.680 8.928 -0.248 1
1 381 . 20 1 1 A 33 33 VAL HA H 33 4.720 5.047 -0.327 1
1 389 . 20 1 1 A 33 33 VAL C C 33 174.458 173.614 0.844 1
1 390 . 20 1 1 A 33 33 VAL CA C 33 58.331 59.646 -1.315 1
1 391 . 20 1 1 A 33 33 VAL CB C 33 34.410 34.495 -0.085 1
1 394 . 20 1 1 A 33 33 VAL N N 33 110.814 118.548 -7.734 1
1 395 . 20 1 1 A 34 34 LEU H H 34 8.696 8.774 -0.078 1
1 396 . 20 1 1 A 34 34 LEU HA H 34 4.871 5.097 -0.226 1
1 406 . 20 1 1 A 34 34 LEU C C 34 172.716 175.510 -2.794 1
1 407 . 20 1 1 A 34 34 LEU CA C 34 53.776 53.593 0.183 1
1 408 . 20 1 1 A 34 34 LEU CB C 34 44.582 44.186 0.396 1
1 412 . 20 1 1 A 34 34 LEU N N 34 123.160 124.689 -1.529 1
1 413 . 20 1 1 A 35 35 VAL H H 35 8.460 8.768 -0.308 1
1 414 . 20 1 1 A 35 35 VAL HA H 35 5.674 5.258 0.416 1
1 422 . 20 1 1 A 35 35 VAL C C 35 176.009 174.161 1.848 1
1 423 . 20 1 1 A 35 35 VAL CA C 35 57.423 59.678 -2.255 1
1 424 . 20 1 1 A 35 35 VAL CB C 35 35.541 34.547 0.994 1
1 427 . 20 1 1 A 35 35 VAL N N 35 119.184 121.777 -2.593 1
1 428 . 20 1 1 A 36 36 THR H H 36 8.362 8.338 0.024 1
1 429 . 20 1 1 A 36 36 THR HA H 36 4.535 5.428 -0.893 1
1 434 . 20 1 1 A 36 36 THR C C 36 173.498 172.567 0.931 1
1 435 . 20 1 1 A 36 36 THR CA C 36 59.643 59.698 -0.055 1
1 436 . 20 1 1 A 36 36 THR CB C 36 70.439 71.965 -1.526 1
1 438 . 20 1 1 A 36 36 THR N N 36 109.151 117.680 -8.529 1
1 439 . 20 1 1 A 37 37 GLY H H 37 7.571 9.146 -1.575 1
1 440 . 20 1 1 A 37 37 GLY C C 37 172.460 173.273 -0.813 1
1 441 . 20 1 1 A 37 37 GLY CA C 37 51.421 45.129 6.292 1
1 442 . 20 1 1 A 37 37 GLY N N 37 115.474 114.893 0.581 1
1 443 . 20 1 1 A 38 38 PRO HA H 38 5.235 4.455 0.780 1
1 450 . 20 1 1 A 38 38 PRO CA C 38 60.459 63.254 -2.795 1
1 451 . 20 1 1 A 38 38 PRO CB C 38 35.517 32.307 3.210 1
1 454 . 20 1 1 A 39 39 LYS H H 39 9.463 8.544 0.919 1
1 455 . 20 1 1 A 39 39 LYS HA H 39 3.545 3.974 -0.429 1
1 464 . 20 1 1 A 39 39 LYS C C 39 179.019 178.336 0.683 1
1 465 . 20 1 1 A 39 39 LYS CA C 39 60.344 58.833 1.511 1
1 466 . 20 1 1 A 39 39 LYS CB C 39 31.826 31.898 -0.072 1
1 470 . 20 1 1 A 39 39 LYS N N 39 127.869 123.657 4.212 1
1 471 . 20 1 1 A 40 40 ASP H H 40 9.035 7.747 1.288 1
1 472 . 20 1 1 A 40 40 ASP HA H 40 4.375 4.542 -0.167 1
1 475 . 20 1 1 A 40 40 ASP C C 40 177.615 178.662 -1.047 1
1 476 . 20 1 1 A 40 40 ASP CA C 40 55.080 56.648 -1.568 1
1 477 . 20 1 1 A 40 40 ASP CB C 40 39.209 41.371 -2.162 1
1 478 . 20 1 1 A 40 40 ASP N N 40 115.744 119.676 -3.932 1
1 479 . 20 1 1 A 41 41 ILE H H 41 7.739 7.971 -0.232 1
1 480 . 20 1 1 A 41 41 ILE HA H 41 4.218 3.694 0.524 1
1 490 . 20 1 1 A 41 41 ILE C C 41 174.826 177.686 -2.860 1
1 491 . 20 1 1 A 41 41 ILE CA C 41 61.664 64.965 -3.301 1
1 492 . 20 1 1 A 41 41 ILE CB C 41 37.453 38.397 -0.944 1
1 496 . 20 1 1 A 41 41 ILE N N 41 116.447 119.457 -3.010 1
1 497 . 20 1 1 A 42 42 THR H H 42 7.766 8.096 -0.330 1
1 498 . 20 1 1 A 42 42 THR HA H 42 4.734 4.539 0.195 1
1 503 . 20 1 1 A 42 42 THR C C 42 175.827 176.036 -0.209 1
1 504 . 20 1 1 A 42 42 THR CA C 42 60.110 62.073 -1.963 1
1 505 . 20 1 1 A 42 42 THR CB C 42 71.791 71.563 0.228 1
1 507 . 20 1 1 A 42 42 THR N N 42 104.054 109.450 -5.396 1
1 508 . 20 1 1 A 43 43 GLY H H 43 7.844 8.074 -0.230 1
1 509 . 20 1 1 A 43 43 GLY HA2 H 43 4.461 3.984 0.477 1
1 510 . 20 1 1 A 43 43 GLY HA3 H 43 3.836 3.986 -0.150 1
1 511 . 20 1 1 A 43 43 GLY C C 43 175.208 175.098 0.110 1
1 512 . 20 1 1 A 43 43 GLY CA C 43 44.826 46.417 -1.591 1
1 513 . 20 1 1 A 43 43 GLY N N 43 109.006 110.887 -1.881 1
1 514 . 20 1 1 A 44 44 VAL H H 44 7.289 7.938 -0.649 1
1 515 . 20 1 1 A 44 44 VAL HA H 44 3.945 4.012 -0.067 1
1 523 . 20 1 1 A 44 44 VAL C C 44 173.149 176.454 -3.305 1
1 524 . 20 1 1 A 44 44 VAL CA C 44 62.902 64.132 -1.230 1
1 525 . 20 1 1 A 44 44 VAL CB C 44 31.715 32.273 -0.558 1
1 528 . 20 1 1 A 44 44 VAL N N 44 120.903 116.995 3.908 1
1 529 . 20 1 1 A 45 45 LYS H H 45 8.308 7.915 0.393 1
1 530 . 20 1 1 A 45 45 LYS HA H 45 4.190 4.329 -0.139 1
1 539 . 20 1 1 A 45 45 LYS C C 45 175.177 175.926 -0.749 1
1 540 . 20 1 1 A 45 45 LYS CA C 45 56.355 58.438 -2.083 1
1 541 . 20 1 1 A 45 45 LYS CB C 45 33.385 31.290 2.095 1
1 545 . 20 1 1 A 45 45 LYS N N 45 128.406 120.587 7.819 1
1 546 . 20 1 1 A 46 46 ARG H H 46 8.080 8.268 -0.188 1
1 547 . 20 1 1 A 46 46 ARG HA H 46 5.720 5.350 0.370 1
1 554 . 20 1 1 A 46 46 ARG C C 46 173.780 175.318 -1.538 1
1 555 . 20 1 1 A 46 46 ARG CA C 46 54.888 55.545 -0.657 1
1 556 . 20 1 1 A 46 46 ARG CB C 46 29.630 31.674 -2.044 1
1 559 . 20 1 1 A 46 46 ARG N N 46 120.129 118.796 1.333 1
1 560 . 20 1 1 A 47 47 ARG H H 47 8.452 8.689 -0.237 1
1 561 . 20 1 1 A 47 47 ARG HA H 47 4.732 5.012 -0.280 1
1 568 . 20 1 1 A 47 47 ARG C C 47 176.138 174.596 1.542 1
1 569 . 20 1 1 A 47 47 ARG CA C 47 54.319 54.839 -0.520 1
1 570 . 20 1 1 A 47 47 ARG CB C 47 33.746 32.927 0.819 1
1 573 . 20 1 1 A 47 47 ARG N N 47 126.780 118.645 8.135 1
1 574 . 20 1 1 A 48 48 ARG H H 48 8.546 8.584 -0.038 1
1 575 . 20 1 1 A 48 48 ARG HA H 48 5.111 4.735 0.376 1
1 582 . 20 1 1 A 48 48 ARG C C 48 174.339 176.051 -1.712 1
1 583 . 20 1 1 A 48 48 ARG CA C 48 55.524 56.457 -0.933 1
1 584 . 20 1 1 A 48 48 ARG CB C 48 31.132 30.692 0.440 1
1 587 . 20 1 1 A 48 48 ARG N N 48 121.931 121.403 0.528 1
1 588 . 20 1 1 A 49 49 VAL H H 49 9.485 8.744 0.741 1
1 589 . 20 1 1 A 49 49 VAL HA H 49 4.651 4.384 0.267 1
1 597 . 20 1 1 A 49 49 VAL C C 49 176.112 176.110 0.002 1
1 598 . 20 1 1 A 49 49 VAL CA C 49 60.040 61.727 -1.687 1
1 599 . 20 1 1 A 49 49 VAL CB C 49 36.427 33.100 3.327 1
1 602 . 20 1 1 A 49 49 VAL N N 49 122.891 123.268 -0.377 1
1 603 . 20 1 1 A 50 50 ASN H H 50 8.569 8.108 0.461 1
1 604 . 20 1 1 A 50 50 ASN HA H 50 4.213 4.489 -0.276 1
1 607 . 20 1 1 A 50 50 ASN C C 50 173.258 174.839 -1.581 1
1 608 . 20 1 1 A 50 50 ASN CA C 50 52.732 55.379 -2.647 1
1 609 . 20 1 1 A 50 50 ASN CB C 50 38.173 37.097 1.076 1
1 610 . 20 1 1 A 50 50 ASN N N 50 125.736 118.577 7.159 1
1 611 . 20 1 1 A 51 51 ILE H H 51 8.601 8.651 -0.050 1
1 612 . 20 1 1 A 51 51 ILE HA H 51 3.632 4.347 -0.715 1
1 622 . 20 1 1 A 51 51 ILE C C 51 176.785 176.309 0.476 1
1 623 . 20 1 1 A 51 51 ILE CA C 51 65.046 61.166 3.880 1
1 624 . 20 1 1 A 51 51 ILE CB C 51 38.532 37.741 0.791 1
1 628 . 20 1 1 A 51 51 ILE N N 51 126.454 119.637 6.817 1
1 629 . 20 1 1 A 52 52 LEU H H 52 8.448 7.632 0.816 1
1 630 . 20 1 1 A 52 52 LEU HA H 52 4.290 4.249 0.041 1
1 640 . 20 1 1 A 52 52 LEU C C 52 176.765 177.495 -0.730 1
1 641 . 20 1 1 A 52 52 LEU CA C 52 55.880 54.892 0.988 1
1 642 . 20 1 1 A 52 52 LEU CB C 52 40.983 42.098 -1.115 1
1 646 . 20 1 1 A 52 52 LEU N N 52 118.365 121.690 -3.325 1
1 647 . 20 1 1 A 53 53 HIS H H 53 8.358 7.973 0.385 1
1 648 . 20 1 1 A 53 53 HIS HA H 53 4.621 4.817 -0.196 1
1 651 . 20 1 1 A 53 53 HIS C C 53 178.018 174.045 3.973 1
1 652 . 20 1 1 A 53 53 HIS CA C 53 53.996 55.580 -1.584 1
1 653 . 20 1 1 A 53 53 HIS CB C 53 30.306 31.068 -0.762 1
1 654 . 20 1 1 A 53 53 HIS N N 53 116.672 114.523 2.149 1
1 655 . 20 1 1 A 54 54 LEU H H 54 7.693 7.699 -0.006 1
1 656 . 20 1 1 A 54 54 LEU HA H 54 5.222 5.034 0.188 1
1 666 . 20 1 1 A 54 54 LEU C C 54 173.609 175.271 -1.662 1
1 667 . 20 1 1 A 54 54 LEU CA C 54 52.932 53.248 -0.316 1
1 668 . 20 1 1 A 54 54 LEU CB C 54 45.943 44.350 1.593 1
1 672 . 20 1 1 A 54 54 LEU N N 54 119.311 120.240 -0.929 1
1 673 . 20 1 1 A 55 55 GLU H H 55 9.073 8.885 0.188 1
1 674 . 20 1 1 A 55 55 GLU C C 55 175.102 174.405 0.697 1
1 675 . 20 1 1 A 55 55 GLU CA C 55 52.073 52.722 -0.649 1
1 676 . 20 1 1 A 55 55 GLU CB C 55 31.958 32.562 -0.604 1
1 677 . 20 1 1 A 55 55 GLU N N 55 120.139 124.867 -4.728 1
1 678 . 20 1 1 A 56 56 PRO HA H 56 4.903 4.572 0.331 1
1 685 . 20 1 1 A 56 56 PRO CA C 56 63.121 63.126 -0.005 1
1 686 . 20 1 1 A 56 56 PRO CB C 56 32.274 32.302 -0.028 1
1 689 . 20 1 1 A 57 57 THR H H 57 8.502 8.083 0.419 1
1 690 . 20 1 1 A 57 57 THR HA H 57 4.932 4.614 0.318 1
1 695 . 20 1 1 A 57 57 THR C C 57 175.894 174.999 0.895 1
1 696 . 20 1 1 A 57 57 THR CA C 57 60.602 60.485 0.117 1
1 697 . 20 1 1 A 57 57 THR CB C 57 71.821 71.215 0.606 1
1 699 . 20 1 1 A 57 57 THR N N 57 113.388 112.867 0.521 1
1 700 . 20 1 1 A 58 58 ASP H H 58 8.605 8.661 -0.056 1
1 701 . 20 1 1 A 58 58 ASP HA H 58 4.445 4.601 -0.156 1
1 704 . 20 1 1 A 58 58 ASP C C 58 173.673 175.610 -1.937 1
1 705 . 20 1 1 A 58 58 ASP CA C 58 53.743 53.934 -0.191 1
1 706 . 20 1 1 A 58 58 ASP CB C 58 39.622 40.544 -0.922 1
1 707 . 20 1 1 A 58 58 ASP N N 58 115.340 118.516 -3.176 1
1 708 . 20 1 1 A 59 59 LYS H H 59 8.544 7.483 1.061 1
1 709 . 20 1 1 A 59 59 LYS HA H 59 4.646 4.796 -0.150 1
1 718 . 20 1 1 A 59 59 LYS C C 59 174.972 175.485 -0.513 1
1 719 . 20 1 1 A 59 59 LYS CA C 59 54.336 54.863 -0.527 1
1 720 . 20 1 1 A 59 59 LYS CB C 59 34.626 34.906 -0.280 1
1 724 . 20 1 1 A 59 59 LYS N N 59 119.488 119.875 -0.387 1
1 725 . 20 1 1 A 60 60 LYS H H 60 8.227 8.934 -0.707 1
1 726 . 20 1 1 A 60 60 LYS HA H 60 4.999 5.068 -0.069 1
1 735 . 20 1 1 A 60 60 LYS C C 60 174.256 174.863 -0.607 1
1 736 . 20 1 1 A 60 60 LYS CA C 60 54.465 54.564 -0.099 1
1 737 . 20 1 1 A 60 60 LYS CB C 60 36.153 36.521 -0.368 1
1 741 . 20 1 1 A 60 60 LYS N N 60 121.112 119.997 1.115 1
1 742 . 20 1 1 A 61 61 ILE H H 61 8.527 8.968 -0.441 1
1 743 . 20 1 1 A 61 61 ILE HA H 61 4.724 5.055 -0.331 1
1 753 . 20 1 1 A 61 61 ILE C C 61 174.330 173.455 0.875 1
1 754 . 20 1 1 A 61 61 ILE CA C 61 58.831 58.608 0.223 1
1 755 . 20 1 1 A 61 61 ILE CB C 61 41.357 41.884 -0.527 1
1 759 . 20 1 1 A 61 61 ILE N N 61 116.027 116.808 -0.781 1
1 760 . 20 1 1 A 62 62 ASP H H 62 8.513 8.915 -0.402 1
1 761 . 20 1 1 A 62 62 ASP HA H 62 4.732 5.130 -0.398 1
1 764 . 20 1 1 A 62 62 ASP C C 62 174.224 174.784 -0.560 1
1 765 . 20 1 1 A 62 62 ASP CA C 62 53.163 52.940 0.223 1
1 766 . 20 1 1 A 62 62 ASP CB C 62 39.686 42.009 -2.323 1
1 767 . 20 1 1 A 62 62 ASP N N 62 121.643 122.224 -0.581 1
1 768 . 20 1 1 A 63 63 ILE H H 63 7.389 8.788 -1.399 1
1 769 . 20 1 1 A 63 63 ILE HA H 63 4.641 5.146 -0.505 1
1 779 . 20 1 1 A 63 63 ILE C C 63 174.484 174.046 0.438 1
1 780 . 20 1 1 A 63 63 ILE CA C 63 58.244 58.503 -0.259 1
1 781 . 20 1 1 A 63 63 ILE CB C 63 41.811 41.941 -0.130 1
1 785 . 20 1 1 A 63 63 ILE N N 63 114.509 121.149 -6.640 1
1 786 . 20 1 1 A 64 64 GLN H H 64 8.529 8.650 -0.121 1
1 787 . 20 1 1 A 64 64 GLN HA H 64 4.390 4.656 -0.266 1
1 792 . 20 1 1 A 64 64 GLN C C 64 174.409 175.697 -1.288 1
1 793 . 20 1 1 A 64 64 GLN CA C 64 53.860 54.569 -0.709 1
1 794 . 20 1 1 A 64 64 GLN CB C 64 30.086 30.220 -0.134 1
1 796 . 20 1 1 A 64 64 GLN N N 64 119.145 122.315 -3.170 1
1 797 . 20 1 1 A 65 65 LYS H H 65 8.323 8.595 -0.272 1
1 798 . 20 1 1 A 65 65 LYS HA H 65 4.132 4.304 -0.172 1
1 807 . 20 1 1 A 65 65 LYS C C 65 174.920 177.448 -2.528 1
1 808 . 20 1 1 A 65 65 LYS CA C 65 57.603 58.147 -0.544 1
1 809 . 20 1 1 A 65 65 LYS CB C 65 32.341 32.061 0.280 1
1 813 . 20 1 1 A 65 65 LYS N N 65 119.780 125.746 -5.966 1
1 814 . 20 1 1 A 66 66 GLY H H 66 9.313 8.794 0.519 1
1 815 . 20 1 1 A 66 66 GLY HA2 H 66 4.093 4.052 0.041 1
1 816 . 20 1 1 A 66 66 GLY HA3 H 66 3.297 4.053 -0.756 1
1 817 . 20 1 1 A 66 66 GLY C C 66 177.892 174.461 3.431 1
1 818 . 20 1 1 A 66 66 GLY CA C 66 44.953 46.300 -1.347 1
1 819 . 20 1 1 A 66 66 GLY N N 66 112.449 114.294 -1.845 1
1 820 . 20 1 1 A 67 67 ALA H H 67 7.545 7.829 -0.284 1
1 821 . 20 1 1 A 67 67 ALA HA H 67 4.081 4.759 -0.678 1
1 825 . 20 1 1 A 67 67 ALA C C 67 173.517 176.684 -3.167 1
1 826 . 20 1 1 A 67 67 ALA CA C 67 52.802 50.374 2.428 1
1 827 . 20 1 1 A 67 67 ALA CB C 67 20.424 22.664 -2.240 1
1 828 . 20 1 1 A 67 67 ALA N N 67 121.516 122.615 -1.099 1
1 829 . 20 1 1 A 68 68 SER H H 68 8.904 8.856 0.048 1
1 830 . 20 1 1 A 68 68 SER HA H 68 4.261 4.688 -0.427 1
1 833 . 20 1 1 A 68 68 SER C C 68 177.019 175.040 1.979 1
1 834 . 20 1 1 A 68 68 SER CA C 68 57.321 56.995 0.326 1
1 835 . 20 1 1 A 68 68 SER CB C 68 65.064 65.234 -0.170 1
1 836 . 20 1 1 A 68 68 SER N N 68 119.470 116.595 2.875 1
1 837 . 20 1 1 A 69 69 ASP H H 69 9.379 8.970 0.409 1
1 838 . 20 1 1 A 69 69 ASP HA H 69 4.184 4.209 -0.025 1
1 841 . 20 1 1 A 69 69 ASP C C 69 173.831 177.814 -3.983 1
1 842 . 20 1 1 A 69 69 ASP CA C 69 57.843 58.066 -0.223 1
1 843 . 20 1 1 A 69 69 ASP CB C 69 39.367 41.259 -1.892 1
1 844 . 20 1 1 A 69 69 ASP N N 69 122.205 123.706 -1.501 1
1 845 . 20 1 1 A 70 70 GLU H H 70 8.454 8.462 -0.008 1
1 846 . 20 1 1 A 70 70 GLU HA H 70 3.966 3.992 -0.026 1
1 851 . 20 1 1 A 70 70 GLU C C 70 177.979 179.105 -1.126 1
1 852 . 20 1 1 A 70 70 GLU CA C 70 59.987 59.300 0.687 1
1 853 . 20 1 1 A 70 70 GLU CB C 70 28.804 29.204 -0.400 1
1 855 . 20 1 1 A 70 70 GLU N N 70 118.426 117.659 0.767 1
1 856 . 20 1 1 A 71 71 GLU H H 71 7.835 7.949 -0.114 1
1 857 . 20 1 1 A 71 71 GLU HA H 71 4.050 4.153 -0.103 1
1 862 . 20 1 1 A 71 71 GLU C C 71 178.486 178.941 -0.455 1
1 863 . 20 1 1 A 71 71 GLU CA C 71 58.998 58.886 0.112 1
1 864 . 20 1 1 A 71 71 GLU CB C 71 29.068 29.606 -0.538 1
1 866 . 20 1 1 A 71 71 GLU N N 71 122.166 119.730 2.436 1
1 867 . 20 1 1 A 72 72 VAL H H 72 8.387 8.257 0.130 1
1 868 . 20 1 1 A 72 72 VAL HA H 72 3.295 3.486 -0.191 1
1 876 . 20 1 1 A 72 72 VAL C C 72 178.603 177.450 1.153 1
1 877 . 20 1 1 A 72 72 VAL CA C 72 66.989 67.166 -0.177 1
1 878 . 20 1 1 A 72 72 VAL CB C 72 31.242 31.545 -0.303 1
1 881 . 20 1 1 A 72 72 VAL N N 72 118.871 119.225 -0.354 1
1 882 . 20 1 1 A 73 73 LYS H H 73 8.619 8.559 0.060 1
1 883 . 20 1 1 A 73 73 LYS HA H 73 3.734 4.066 -0.332 1
1 892 . 20 1 1 A 73 73 LYS C C 73 177.118 178.636 -1.518 1
1 893 . 20 1 1 A 73 73 LYS CA C 73 60.695 59.199 1.496 1
1 894 . 20 1 1 A 73 73 LYS CB C 73 32.320 32.173 0.147 1
1 898 . 20 1 1 A 73 73 LYS N N 73 118.351 119.593 -1.242 1
1 899 . 20 1 1 A 74 74 LYS H H 74 7.886 7.880 0.006 1
1 900 . 20 1 1 A 74 74 LYS HA H 74 4.133 4.080 0.053 1
1 909 . 20 1 1 A 74 74 LYS C C 74 178.306 179.665 -1.359 1
1 910 . 20 1 1 A 74 74 LYS CA C 74 58.954 59.868 -0.914 1
1 911 . 20 1 1 A 74 74 LYS CB C 74 31.974 32.168 -0.194 1
1 915 . 20 1 1 A 74 74 LYS N N 74 118.808 118.051 0.757 1
1 916 . 20 1 1 A 75 75 LYS H H 75 8.118 7.772 0.346 1
1 917 . 20 1 1 A 75 75 LYS HA H 75 4.228 4.054 0.174 1
1 926 . 20 1 1 A 75 75 LYS C C 75 178.795 179.568 -0.773 1
1 927 . 20 1 1 A 75 75 LYS CA C 75 57.158 59.084 -1.926 1
1 928 . 20 1 1 A 75 75 LYS CB C 75 31.382 31.658 -0.276 1
1 932 . 20 1 1 A 75 75 LYS N N 75 118.374 119.007 -0.633 1
1 933 . 20 1 1 A 76 76 LEU H H 76 8.778 8.511 0.267 1
1 934 . 20 1 1 A 76 76 LEU HA H 76 3.931 4.024 -0.093 1
1 944 . 20 1 1 A 76 76 LEU C C 76 180.241 179.045 1.196 1
1 945 . 20 1 1 A 76 76 LEU CA C 76 58.203 57.963 0.240 1
1 946 . 20 1 1 A 76 76 LEU CB C 76 42.015 41.313 0.702 1
1 950 . 20 1 1 A 76 76 LEU N N 76 121.253 121.039 0.214 1
1 951 . 20 1 1 A 77 77 GLU H H 77 7.951 8.349 -0.398 1
1 952 . 20 1 1 A 77 77 GLU HA H 77 4.227 3.933 0.294 1
1 957 . 20 1 1 A 77 77 GLU C C 77 178.403 178.513 -0.110 1
1 958 . 20 1 1 A 77 77 GLU CA C 77 58.892 59.822 -0.930 1
1 959 . 20 1 1 A 77 77 GLU CB C 77 28.925 28.949 -0.024 1
1 961 . 20 1 1 A 77 77 GLU N N 77 119.306 120.184 -0.878 1
1 962 . 20 1 1 A 78 78 GLU H H 78 8.595 8.602 -0.007 1
1 963 . 20 1 1 A 78 78 GLU HA H 78 4.099 4.029 0.070 1
1 968 . 20 1 1 A 78 78 GLU C C 78 180.586 178.363 2.223 1
1 969 . 20 1 1 A 78 78 GLU CA C 78 58.850 59.256 -0.406 1
1 970 . 20 1 1 A 78 78 GLU CB C 78 29.878 29.315 0.563 1
1 972 . 20 1 1 A 78 78 GLU N N 78 120.814 119.446 1.368 1
1 973 . 20 1 1 A 79 79 SER H H 79 7.519 7.460 0.059 1
1 974 . 20 1 1 A 79 79 SER HA H 79 4.592 4.543 0.049 1
1 977 . 20 1 1 A 79 79 SER C C 79 177.761 173.344 4.417 1
1 978 . 20 1 1 A 79 79 SER CA C 79 58.324 58.117 0.207 1
1 979 . 20 1 1 A 79 79 SER CB C 79 63.796 63.297 0.499 1
1 980 . 20 1 1 A 79 79 SER N N 79 110.823 111.710 -0.887 1
1 981 . 20 1 1 A 80 80 ASN H H 80 8.126 7.981 0.145 1
1 982 . 20 1 1 A 80 80 ASN HA H 80 4.700 4.466 0.234 1
1 985 . 20 1 1 A 80 80 ASN C C 80 172.562 174.811 -2.249 1
1 986 . 20 1 1 A 80 80 ASN CA C 80 53.603 54.625 -1.022 1
1 987 . 20 1 1 A 80 80 ASN CB C 80 36.754 36.542 0.212 1
1 988 . 20 1 1 A 80 80 ASN N N 80 117.027 116.685 0.342 1
1 989 . 20 1 1 A 81 81 LEU H H 81 8.526 8.119 0.407 1
1 990 . 20 1 1 A 81 81 LEU HA H 81 4.767 4.527 0.240 1
1 1000 . 20 1 1 A 81 81 LEU C C 81 175.743 178.166 -2.423 1
1 1001 . 20 1 1 A 81 81 LEU CA C 81 54.008 54.597 -0.589 1
1 1002 . 20 1 1 A 81 81 LEU CB C 81 45.026 42.753 2.273 1
1 1006 . 20 1 1 A 81 81 LEU N N 81 114.910 119.278 -4.368 1
1 1007 . 20 1 1 A 82 82 THR H H 82 7.848 7.730 0.118 1
1 1008 . 20 1 1 A 82 82 THR HA H 82 4.117 3.940 0.177 1
1 1013 . 20 1 1 A 82 82 THR C C 82 176.676 176.151 0.525 1
1 1014 . 20 1 1 A 82 82 THR CA C 82 67.474 67.051 0.423 1
1 1015 . 20 1 1 A 82 82 THR CB C 82 68.235 68.454 -0.219 1
1 1017 . 20 1 1 A 82 82 THR N N 82 117.802 113.864 3.938 1
1 1018 . 20 1 1 A 83 83 GLU H H 83 8.335 8.263 0.072 1
1 1019 . 20 1 1 A 83 83 GLU HA H 83 3.915 3.993 -0.078 1
1 1024 . 20 1 1 A 83 83 GLU C C 83 175.177 178.320 -3.143 1
1 1025 . 20 1 1 A 83 83 GLU CA C 83 59.541 59.624 -0.083 1
1 1026 . 20 1 1 A 83 83 GLU CB C 83 27.819 29.546 -1.727 1
1 1028 . 20 1 1 A 83 83 GLU N N 83 118.314 121.449 -3.135 1
1 1029 . 20 1 1 A 84 84 TYR H H 84 8.043 8.220 -0.177 1
1 1030 . 20 1 1 A 84 84 TYR HA H 84 4.111 4.134 -0.023 1
1 1037 . 20 1 1 A 84 84 TYR C C 84 179.081 178.133 0.948 1
1 1038 . 20 1 1 A 84 84 TYR CA C 84 60.788 60.978 -0.190 1
1 1039 . 20 1 1 A 84 84 TYR CB C 84 37.753 38.769 -1.016 1
1 1040 . 20 1 1 A 84 84 TYR N N 84 121.386 120.982 0.404 1
1 1041 . 20 1 1 A 85 85 MET H H 85 8.101 7.491 0.610 1
1 1042 . 20 1 1 A 85 85 MET HA H 85 4.259 4.314 -0.055 1
1 1047 . 20 1 1 A 85 85 MET C C 85 178.628 178.311 0.317 1
1 1048 . 20 1 1 A 85 85 MET CA C 85 55.244 58.035 -2.791 1
1 1049 . 20 1 1 A 85 85 MET CB C 85 29.597 32.531 -2.934 1
1 1051 . 20 1 1 A 85 85 MET N N 85 116.695 118.805 -2.110 1
1 1052 . 20 1 1 A 86 86 LYS H H 86 7.301 8.206 -0.905 1
1 1053 . 20 1 1 A 86 86 LYS HA H 86 3.937 4.068 -0.131 1
1 1062 . 20 1 1 A 86 86 LYS C C 86 175.934 177.389 -1.455 1
1 1063 . 20 1 1 A 86 86 LYS CA C 86 57.318 59.342 -2.024 1
1 1064 . 20 1 1 A 86 86 LYS CB C 86 32.956 32.209 0.747 1
1 1068 . 20 1 1 A 86 86 LYS N N 86 114.957 119.198 -4.241 1
1 1069 . 20 1 1 A 87 87 GLU H H 87 7.031 7.682 -0.651 1
1 1070 . 20 1 1 A 87 87 GLU HA H 87 4.185 4.244 -0.059 1
1 1075 . 20 1 1 A 87 87 GLU C C 87 176.247 176.019 0.228 1
1 1076 . 20 1 1 A 87 87 GLU CA C 87 55.780 56.407 -0.627 1
1 1077 . 20 1 1 A 87 87 GLU CB C 87 29.358 30.132 -0.774 1
1 1079 . 20 1 1 A 87 87 GLU N N 87 119.315 119.379 -0.064 1
1 1080 . 20 1 1 A 88 88 LYS H H 88 8.466 8.368 0.098 1
1 1081 . 20 1 1 A 88 88 LYS HA H 88 4.568 4.155 0.413 1
1 1090 . 20 1 1 A 88 88 LYS C C 88 175.539 175.959 -0.420 1
1 1091 . 20 1 1 A 88 88 LYS CA C 88 55.271 56.312 -1.041 1
1 1092 . 20 1 1 A 88 88 LYS CB C 88 33.457 32.816 0.641 1
1 1096 . 20 1 1 A 88 88 LYS N N 88 127.402 123.459 3.943 1
1 1097 . 20 1 1 A 89 89 ILE H H 89 8.752 8.191 0.561 1
1 1098 . 20 1 1 A 89 89 ILE HA H 89 4.249 4.046 0.203 1
1 1108 . 20 1 1 A 89 89 ILE C C 89 176.471 175.514 0.957 1
1 1109 . 20 1 1 A 89 89 ILE CA C 89 59.014 61.489 -2.475 1
1 1110 . 20 1 1 A 89 89 ILE CB C 89 38.437 38.098 0.339 1
1 1114 . 20 1 1 A 89 89 ILE N N 89 122.906 122.041 0.865 1
1 1115 . 20 1 1 A 90 90 LYS H H 90 8.394 8.530 -0.136 1
1 1116 . 20 1 1 A 90 90 LYS HA H 90 4.284 4.803 -0.519 1
1 1125 . 20 1 1 A 90 90 LYS C C 90 175.276 175.732 -0.456 1
1 1126 . 20 1 1 A 90 90 LYS CA C 90 55.821 54.956 0.865 1
1 1127 . 20 1 1 A 90 90 LYS CB C 90 31.860 33.923 -2.063 1
1 1131 . 20 1 1 A 90 90 LYS N N 90 125.894 126.375 -0.481 1
1 1132 . 20 1 1 A 91 91 ILE H H 91 8.141 8.522 -0.381 1
1 1133 . 20 1 1 A 91 91 ILE HA H 91 4.165 4.266 -0.101 1
1 1143 . 20 1 1 A 91 91 ILE C C 91 175.506 175.453 0.053 1
1 1144 . 20 1 1 A 91 91 ILE CA C 91 59.516 61.414 -1.898 1
1 1145 . 20 1 1 A 91 91 ILE CB C 91 37.991 39.312 -1.321 1
1 1149 . 20 1 1 A 91 91 ILE N N 91 124.934 127.679 -2.745 1
1 1150 . 20 1 1 A 92 92 ARG H H 92 8.488 8.335 0.153 1
1 1151 . 20 1 1 A 92 92 ARG HA H 92 4.318 4.572 -0.254 1
1 1158 . 20 1 1 A 92 92 ARG C C 92 175.508 174.880 0.628 1
1 1159 . 20 1 1 A 92 92 ARG CA C 92 55.708 55.379 0.329 1
1 1160 . 20 1 1 A 92 92 ARG CB C 92 30.394 29.796 0.598 1
1 1163 . 20 1 1 A 92 92 ARG N N 92 126.033 127.655 -1.622 1
1 1164 . 20 1 1 A 93 93 MET H H 93 8.362 8.207 0.155 1
1 1165 . 20 1 1 A 93 93 MET C C 93 175.367 175.746 -0.379 1
1 1166 . 20 1 1 A 93 93 MET CA C 93 52.994 53.073 -0.079 1
1 1167 . 20 1 1 A 93 93 MET CB C 93 32.271 33.763 -1.492 1
1 1168 . 20 1 1 A 93 93 MET N N 93 123.282 125.261 -1.979 1
1 1169 . 20 1 1 A 94 94 PRO HA H 94 4.505 4.474 0.031 1
1 1176 . 20 1 1 A 94 94 PRO CA C 94 62.884 64.448 -1.564 1
1 1177 . 20 1 1 A 94 94 PRO CB C 94 31.885 32.155 -0.270 1
1 1180 . 20 1 1 A 95 95 THR H H 95 8.180 7.729 0.451 1
1 1181 . 20 1 1 A 95 95 THR HA H 95 4.320 4.420 -0.100 1
1 1186 . 20 1 1 A 95 95 THR C C 95 176.463 174.270 2.193 1
1 1187 . 20 1 1 A 95 95 THR CA C 95 61.391 61.778 -0.387 1
1 1188 . 20 1 1 A 95 95 THR CB C 95 69.583 68.798 0.785 1
1 1190 . 20 1 1 A 95 95 THR N N 95 114.511 113.454 1.057 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 90 2.055 1
2 1 1 1 "RMS(OBS, PRED)" CA 94 1.546 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.416 1
4 1 1 1 "RMS(OBS, PRED)" H 90 nan 1
5 1 1 1 "RMS(OBS, PRED)" HA 96 0.381 1
6 1 1 1 "RMS(OBS, PRED)" N 90 4.093 1
7 1 2 1 "RMS(OBS, PRED)" C 90 2.068 1
8 1 2 1 "RMS(OBS, PRED)" CA 94 1.649 1
9 1 2 1 "RMS(OBS, PRED)" CB 88 1.626 1
10 1 2 1 "RMS(OBS, PRED)" H 90 nan 1
11 1 2 1 "RMS(OBS, PRED)" HA 96 0.425 1
12 1 2 1 "RMS(OBS, PRED)" N 90 3.991 1
13 1 3 1 "RMS(OBS, PRED)" C 90 2.001 1
14 1 3 1 "RMS(OBS, PRED)" CA 94 1.598 1
15 1 3 1 "RMS(OBS, PRED)" CB 88 1.625 1
16 1 3 1 "RMS(OBS, PRED)" H 90 nan 1
17 1 3 1 "RMS(OBS, PRED)" HA 96 0.400 1
18 1 3 1 "RMS(OBS, PRED)" N 90 3.861 1
19 1 4 1 "RMS(OBS, PRED)" C 90 2.133 1
20 1 4 1 "RMS(OBS, PRED)" CA 94 1.631 1
21 1 4 1 "RMS(OBS, PRED)" CB 88 1.415 1
22 1 4 1 "RMS(OBS, PRED)" H 90 nan 1
23 1 4 1 "RMS(OBS, PRED)" HA 96 0.398 1
24 1 4 1 "RMS(OBS, PRED)" N 90 3.589 1
25 1 5 1 "RMS(OBS, PRED)" C 90 2.040 1
26 1 5 1 "RMS(OBS, PRED)" CA 94 1.544 1
27 1 5 1 "RMS(OBS, PRED)" CB 88 1.746 1
28 1 5 1 "RMS(OBS, PRED)" H 90 nan 1
29 1 5 1 "RMS(OBS, PRED)" HA 96 0.418 1
30 1 5 1 "RMS(OBS, PRED)" N 90 4.355 1
31 1 6 1 "RMS(OBS, PRED)" C 90 2.095 1
32 1 6 1 "RMS(OBS, PRED)" CA 94 1.563 1
33 1 6 1 "RMS(OBS, PRED)" CB 88 1.718 1
34 1 6 1 "RMS(OBS, PRED)" H 90 nan 1
35 1 6 1 "RMS(OBS, PRED)" HA 96 0.385 1
36 1 6 1 "RMS(OBS, PRED)" N 90 3.755 1
37 1 7 1 "RMS(OBS, PRED)" C 90 2.046 1
38 1 7 1 "RMS(OBS, PRED)" CA 94 1.609 1
39 1 7 1 "RMS(OBS, PRED)" CB 88 1.427 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.524 1
41 1 7 1 "RMS(OBS, PRED)" HA 96 0.415 1
42 1 7 1 "RMS(OBS, PRED)" N 90 3.890 1
43 1 8 1 "RMS(OBS, PRED)" C 90 2.011 1
44 1 8 1 "RMS(OBS, PRED)" CA 94 1.518 1
45 1 8 1 "RMS(OBS, PRED)" CB 88 1.588 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.573 1
47 1 8 1 "RMS(OBS, PRED)" HA 96 0.413 1
48 1 8 1 "RMS(OBS, PRED)" N 90 3.942 1
49 1 9 1 "RMS(OBS, PRED)" C 90 2.018 1
50 1 9 1 "RMS(OBS, PRED)" CA 94 1.423 1
51 1 9 1 "RMS(OBS, PRED)" CB 88 1.645 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.488 1
53 1 9 1 "RMS(OBS, PRED)" HA 96 0.382 1
54 1 9 1 "RMS(OBS, PRED)" N 90 3.311 1
55 1 10 1 "RMS(OBS, PRED)" C 90 2.069 1
56 1 10 1 "RMS(OBS, PRED)" CA 94 1.589 1
57 1 10 1 "RMS(OBS, PRED)" CB 88 1.611 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.581 1
59 1 10 1 "RMS(OBS, PRED)" HA 96 0.406 1
60 1 10 1 "RMS(OBS, PRED)" N 90 4.448 1
61 1 11 1 "RMS(OBS, PRED)" C 90 2.122 1
62 1 11 1 "RMS(OBS, PRED)" CA 94 1.494 1
63 1 11 1 "RMS(OBS, PRED)" CB 88 1.567 1
64 1 11 1 "RMS(OBS, PRED)" H 90 nan 1
65 1 11 1 "RMS(OBS, PRED)" HA 96 0.430 1
66 1 11 1 "RMS(OBS, PRED)" N 90 3.843 1
67 1 12 1 "RMS(OBS, PRED)" C 90 1.945 1
68 1 12 1 "RMS(OBS, PRED)" CA 94 1.588 1
69 1 12 1 "RMS(OBS, PRED)" CB 88 1.565 1
70 1 12 1 "RMS(OBS, PRED)" H 90 0.586 1
71 1 12 1 "RMS(OBS, PRED)" HA 96 0.400 1
72 1 12 1 "RMS(OBS, PRED)" N 90 3.696 1
73 1 13 1 "RMS(OBS, PRED)" C 90 2.064 1
74 1 13 1 "RMS(OBS, PRED)" CA 94 1.451 1
75 1 13 1 "RMS(OBS, PRED)" CB 88 1.590 1
76 1 13 1 "RMS(OBS, PRED)" H 90 0.547 1
77 1 13 1 "RMS(OBS, PRED)" HA 96 0.427 1
78 1 13 1 "RMS(OBS, PRED)" N 90 3.568 1
79 1 14 1 "RMS(OBS, PRED)" C 90 2.123 1
80 1 14 1 "RMS(OBS, PRED)" CA 94 1.446 1
81 1 14 1 "RMS(OBS, PRED)" CB 88 1.454 1
82 1 14 1 "RMS(OBS, PRED)" H 90 0.508 1
83 1 14 1 "RMS(OBS, PRED)" HA 96 0.363 1
84 1 14 1 "RMS(OBS, PRED)" N 90 3.816 1
85 1 15 1 "RMS(OBS, PRED)" C 90 2.113 1
86 1 15 1 "RMS(OBS, PRED)" CA 94 1.609 1
87 1 15 1 "RMS(OBS, PRED)" CB 88 1.467 1
88 1 15 1 "RMS(OBS, PRED)" H 90 nan 1
89 1 15 1 "RMS(OBS, PRED)" HA 96 0.383 1
90 1 15 1 "RMS(OBS, PRED)" N 90 3.812 1
91 1 16 1 "RMS(OBS, PRED)" C 90 2.098 1
92 1 16 1 "RMS(OBS, PRED)" CA 94 1.554 1
93 1 16 1 "RMS(OBS, PRED)" CB 88 1.393 1
94 1 16 1 "RMS(OBS, PRED)" H 90 0.554 1
95 1 16 1 "RMS(OBS, PRED)" HA 96 0.363 1
96 1 16 1 "RMS(OBS, PRED)" N 90 4.021 1
97 1 17 1 "RMS(OBS, PRED)" C 90 1.985 1
98 1 17 1 "RMS(OBS, PRED)" CA 94 1.424 1
99 1 17 1 "RMS(OBS, PRED)" CB 88 1.559 1
100 1 17 1 "RMS(OBS, PRED)" H 90 nan 1
101 1 17 1 "RMS(OBS, PRED)" HA 96 0.385 1
102 1 17 1 "RMS(OBS, PRED)" N 90 3.760 1
103 1 18 1 "RMS(OBS, PRED)" C 90 2.004 1
104 1 18 1 "RMS(OBS, PRED)" CA 94 1.541 1
105 1 18 1 "RMS(OBS, PRED)" CB 88 1.595 1
106 1 18 1 "RMS(OBS, PRED)" H 90 0.497 1
107 1 18 1 "RMS(OBS, PRED)" HA 96 0.381 1
108 1 18 1 "RMS(OBS, PRED)" N 90 3.968 1
109 1 19 1 "RMS(OBS, PRED)" C 90 2.073 1
110 1 19 1 "RMS(OBS, PRED)" CA 94 1.631 1
111 1 19 1 "RMS(OBS, PRED)" CB 88 1.554 1
112 1 19 1 "RMS(OBS, PRED)" H 90 0.476 1
113 1 19 1 "RMS(OBS, PRED)" HA 96 0.443 1
114 1 19 1 "RMS(OBS, PRED)" N 90 4.195 1
115 1 20 1 "RMS(OBS, PRED)" C 90 2.001 1
116 1 20 1 "RMS(OBS, PRED)" CA 94 1.511 1
117 1 20 1 "RMS(OBS, PRED)" CB 88 1.476 1
118 1 20 1 "RMS(OBS, PRED)" H 90 0.535 1
119 1 20 1 "RMS(OBS, PRED)" HA 96 0.398 1
120 1 20 1 "RMS(OBS, PRED)" N 90 3.588 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H 2 4.279 4.608 -0.329 2
1 8 . 1 1 A 2 2 PRO CA C 2 61.757 62.932 -1.176 2
1 9 . 1 1 A 2 2 PRO CB C 2 32.181 31.734 0.447 2
1 12 . 1 1 A 3 3 ALA H H 3 8.418 8.488 -0.070 2
1 13 . 1 1 A 3 3 ALA HA H 3 4.242 4.520 -0.278 2
1 17 . 1 1 A 3 3 ALA C C 3 171.733 176.597 -4.864 2
1 18 . 1 1 A 3 3 ALA CA C 3 53.120 51.754 1.366 2
1 19 . 1 1 A 3 3 ALA CB C 3 19.076 20.464 -1.388 2
1 20 . 1 1 A 3 3 ALA N N 3 122.573 124.839 -2.266 2
1 21 . 1 1 A 4 4 ILE H H 4 8.389 8.557 -0.168 2
1 22 . 1 1 A 4 4 ILE HA H 4 3.730 4.076 -0.346 2
1 32 . 1 1 A 4 4 ILE C C 4 177.391 174.879 2.512 2
1 33 . 1 1 A 4 4 ILE CA C 4 60.039 61.431 -1.392 2
1 34 . 1 1 A 4 4 ILE CB C 4 34.720 37.096 -2.376 2
1 38 . 1 1 A 4 4 ILE N N 4 119.283 119.527 -0.244 2
1 39 . 1 1 A 5 5 GLU H H 5 6.799 8.213 -1.414 2
1 40 . 1 1 A 5 5 GLU HA H 5 4.630 4.788 -0.158 2
1 45 . 1 1 A 5 5 GLU C C 5 173.009 175.303 -2.294 2
1 46 . 1 1 A 5 5 GLU CA C 5 53.474 54.839 -1.365 2
1 47 . 1 1 A 5 5 GLU CB C 5 32.091 32.741 -0.650 2
1 49 . 1 1 A 5 5 GLU N N 5 122.616 123.283 -0.667 2
1 50 . 1 1 A 6 6 VAL H H 6 8.899 8.501 0.398 2
1 51 . 1 1 A 6 6 VAL HA H 6 3.318 4.161 -0.843 2
1 59 . 1 1 A 6 6 VAL C C 6 174.172 176.499 -2.327 2
1 60 . 1 1 A 6 6 VAL CA C 6 65.581 63.474 2.107 2
1 61 . 1 1 A 6 6 VAL CB C 6 30.939 31.469 -0.530 2
1 64 . 1 1 A 6 6 VAL N N 6 122.205 121.263 0.942 2
1 65 . 1 1 A 7 7 GLY H H 7 9.478 4.901 4.577 2
1 66 . 1 1 A 7 7 GLY HA2 H 7 5.016 3.990 1.026 2
1 67 . 1 1 A 7 7 GLY HA3 H 7 3.187 3.992 -0.805 2
1 68 . 1 1 A 7 7 GLY C C 7 176.688 173.992 2.696 2
1 69 . 1 1 A 7 7 GLY CA C 7 44.580 45.106 -0.526 2
1 70 . 1 1 A 7 7 GLY N N 7 115.742 114.875 0.867 2
1 71 . 1 1 A 8 8 ARG H H 8 8.128 7.673 0.455 2
1 72 . 1 1 A 8 8 ARG HA H 8 4.226 4.496 -0.270 2
1 79 . 1 1 A 8 8 ARG C C 8 173.667 175.627 -1.960 2
1 80 . 1 1 A 8 8 ARG CA C 8 54.906 55.170 -0.264 2
1 81 . 1 1 A 8 8 ARG CB C 8 29.331 31.315 -1.984 2
1 84 . 1 1 A 8 8 ARG N N 8 120.180 121.743 -1.563 2
1 85 . 1 1 A 9 9 ILE H H 9 8.571 8.456 0.115 2
1 86 . 1 1 A 9 9 ILE HA H 9 4.965 4.427 0.538 2
1 96 . 1 1 A 9 9 ILE C C 9 175.361 175.559 -0.198 2
1 97 . 1 1 A 9 9 ILE CA C 9 61.241 61.433 -0.192 2
1 98 . 1 1 A 9 9 ILE CB C 9 36.712 37.786 -1.074 2
1 102 . 1 1 A 9 9 ILE N N 9 129.626 126.747 2.879 2
1 103 . 1 1 A 10 10 CYS H H 10 9.614 9.247 0.367 2
1 104 . 1 1 A 10 10 CYS HA H 10 5.471 5.410 0.061 2
1 107 . 1 1 A 10 10 CYS C C 10 177.158 172.808 4.350 2
1 108 . 1 1 A 10 10 CYS CA C 10 57.088 57.164 -0.076 2
1 109 . 1 1 A 10 10 CYS CB C 10 32.935 31.324 1.611 2
1 110 . 1 1 A 10 10 CYS N N 10 126.595 125.397 1.198 2
1 111 . 1 1 A 11 11 VAL H H 11 8.926 8.979 -0.053 2
1 112 . 1 1 A 11 11 VAL HA H 11 4.351 4.821 -0.470 2
1 120 . 1 1 A 11 11 VAL C C 11 172.010 174.692 -2.682 2
1 121 . 1 1 A 11 11 VAL CA C 11 60.857 59.803 1.054 2
1 122 . 1 1 A 11 11 VAL CB C 11 33.989 34.703 -0.714 2
1 125 . 1 1 A 11 11 VAL N N 11 119.765 122.358 -2.593 2
1 126 . 1 1 A 12 12 LYS H H 12 8.961 8.551 0.410 2
1 127 . 1 1 A 12 12 LYS HA H 12 4.510 4.431 0.079 2
1 136 . 1 1 A 12 12 LYS C C 12 175.625 176.682 -1.057 2
1 137 . 1 1 A 12 12 LYS CA C 12 56.422 56.109 0.313 2
1 138 . 1 1 A 12 12 LYS CB C 12 32.726 32.298 0.428 2
1 142 . 1 1 A 12 12 LYS N N 12 127.967 126.997 0.970 2
1 143 . 1 1 A 13 13 VAL H H 13 8.522 8.418 0.104 2
1 144 . 1 1 A 13 13 VAL HA H 13 4.518 4.124 0.394 2
1 152 . 1 1 A 13 13 VAL C C 13 176.284 175.925 0.359 2
1 153 . 1 1 A 13 13 VAL CA C 13 61.492 63.130 -1.638 2
1 154 . 1 1 A 13 13 VAL CB C 13 32.089 31.916 0.173 2
1 157 . 1 1 A 13 13 VAL N N 13 118.593 123.402 -4.809 2
1 158 . 1 1 A 14 14 LYS H H 14 7.310 7.895 -0.585 2
1 159 . 1 1 A 14 14 LYS HA H 14 4.580 4.456 0.124 2
1 168 . 1 1 A 14 14 LYS C C 14 174.043 176.542 -2.499 2
1 169 . 1 1 A 14 14 LYS CA C 14 54.090 56.116 -2.026 2
1 170 . 1 1 A 14 14 LYS CB C 14 36.489 33.500 2.989 2
1 174 . 1 1 A 14 14 LYS N N 14 117.809 122.502 -4.693 2
1 175 . 1 1 A 15 15 GLY H H 15 8.548 4.639 3.909 2
1 176 . 1 1 A 15 15 GLY HA2 H 15 4.264 3.974 0.290 2
1 177 . 1 1 A 15 15 GLY HA3 H 15 3.845 3.986 -0.141 2
1 178 . 1 1 A 15 15 GLY C C 15 175.166 174.262 0.904 2
1 179 . 1 1 A 15 15 GLY CA C 15 43.993 45.775 -1.782 2
1 180 . 1 1 A 15 15 GLY N N 15 108.732 111.122 -2.390 2
1 181 . 1 1 A 16 16 ARG H H 16 8.618 8.363 0.256 2
1 182 . 1 1 A 16 16 ARG HA H 16 4.082 4.347 -0.265 2
1 189 . 1 1 A 16 16 ARG C C 16 174.254 176.093 -1.839 2
1 190 . 1 1 A 16 16 ARG CA C 16 57.950 57.045 0.905 2
1 191 . 1 1 A 16 16 ARG CB C 16 29.776 30.888 -1.112 2
1 194 . 1 1 A 16 16 ARG N N 16 120.561 120.776 -0.215 2
1 195 . 1 1 A 17 17 GLU H H 17 8.935 8.141 0.794 2
1 196 . 1 1 A 17 17 GLU HA H 17 4.190 4.444 -0.254 2
1 201 . 1 1 A 17 17 GLU C C 17 177.426 175.787 1.639 2
1 202 . 1 1 A 17 17 GLU CA C 17 55.386 56.311 -0.925 2
1 203 . 1 1 A 17 17 GLU CB C 17 27.412 30.588 -3.176 2
1 205 . 1 1 A 17 17 GLU N N 17 115.930 119.114 -3.184 2
1 206 . 1 1 A 18 18 ALA H H 18 7.267 8.241 -0.974 2
1 207 . 1 1 A 18 18 ALA HA H 18 3.737 4.465 -0.728 2
1 211 . 1 1 A 18 18 ALA C C 18 174.969 177.766 -2.797 2
1 212 . 1 1 A 18 18 ALA CA C 18 53.272 52.283 0.988 2
1 213 . 1 1 A 18 18 ALA CB C 18 17.382 18.669 -1.287 2
1 214 . 1 1 A 18 18 ALA N N 18 120.485 124.210 -3.725 2
1 215 . 1 1 A 19 19 GLY H H 19 9.424 4.625 4.799 2
1 216 . 1 1 A 19 19 GLY HA2 H 19 4.680 3.913 0.767 2
1 217 . 1 1 A 19 19 GLY HA3 H 19 3.451 3.921 -0.470 2
1 218 . 1 1 A 19 19 GLY C C 19 178.386 173.768 4.618 2
1 219 . 1 1 A 19 19 GLY CA C 19 44.905 45.706 -0.801 2
1 220 . 1 1 A 19 19 GLY N N 19 112.194 107.970 4.224 2
1 221 . 1 1 A 20 20 SER H H 20 8.162 7.704 0.458 2
1 222 . 1 1 A 20 20 SER HA H 20 4.861 4.764 0.097 2
1 225 . 1 1 A 20 20 SER C C 20 173.441 173.327 0.113 2
1 226 . 1 1 A 20 20 SER CA C 20 58.253 57.709 0.544 2
1 227 . 1 1 A 20 20 SER CB C 20 64.447 64.449 -0.002 2
1 228 . 1 1 A 20 20 SER N N 20 115.207 115.234 -0.027 2
1 229 . 1 1 A 21 21 LYS H H 21 8.836 8.603 0.233 2
1 230 . 1 1 A 21 21 LYS HA H 21 5.369 5.025 0.344 2
1 239 . 1 1 A 21 21 LYS C C 21 172.859 175.500 -2.641 2
1 240 . 1 1 A 21 21 LYS CA C 21 55.508 55.051 0.457 2
1 241 . 1 1 A 21 21 LYS CB C 21 34.795 34.877 -0.082 2
1 245 . 1 1 A 21 21 LYS N N 21 121.269 124.741 -3.472 2
1 246 . 1 1 A 22 22 CYS H H 22 8.905 8.985 -0.080 2
1 247 . 1 1 A 22 22 CYS HA H 22 5.527 5.189 0.338 2
1 250 . 1 1 A 22 22 CYS C C 22 174.204 172.940 1.264 2
1 251 . 1 1 A 22 22 CYS CA C 22 55.584 57.520 -1.935 2
1 252 . 1 1 A 22 22 CYS CB C 22 30.941 32.237 -1.296 2
1 253 . 1 1 A 22 22 CYS N N 22 110.073 120.559 -10.486 2
1 254 . 1 1 A 23 23 VAL H H 23 9.325 8.954 0.371 2
1 255 . 1 1 A 23 23 VAL HA H 23 4.761 4.739 0.022 2
1 263 . 1 1 A 23 23 VAL C C 23 171.121 175.298 -4.177 2
1 264 . 1 1 A 23 23 VAL CA C 23 60.552 60.738 -0.186 2
1 265 . 1 1 A 23 23 VAL CB C 23 35.141 34.374 0.767 2
1 268 . 1 1 A 23 23 VAL N N 23 119.042 121.827 -2.785 2
1 269 . 1 1 A 24 24 ILE H H 24 8.239 8.883 -0.644 2
1 270 . 1 1 A 24 24 ILE HA H 24 4.239 4.169 0.070 2
1 280 . 1 1 A 24 24 ILE C C 24 175.805 176.376 -0.571 2
1 281 . 1 1 A 24 24 ILE CA C 24 62.552 61.602 0.950 2
1 282 . 1 1 A 24 24 ILE CB C 24 36.819 37.086 -0.267 2
1 286 . 1 1 A 24 24 ILE N N 24 124.259 127.294 -3.035 2
1 287 . 1 1 A 25 25 VAL H H 25 9.205 8.783 0.422 2
1 288 . 1 1 A 25 25 VAL HA H 25 4.689 4.286 0.403 2
1 296 . 1 1 A 25 25 VAL C C 25 175.650 175.428 0.222 2
1 297 . 1 1 A 25 25 VAL CA C 25 60.947 62.833 -1.886 2
1 298 . 1 1 A 25 25 VAL CB C 25 32.986 33.207 -0.221 2
1 301 . 1 1 A 25 25 VAL N N 25 121.805 124.866 -3.061 2
1 302 . 1 1 A 26 26 ASP H H 26 8.103 7.631 0.472 2
1 303 . 1 1 A 26 26 ASP HA H 26 4.771 5.090 -0.319 2
1 306 . 1 1 A 26 26 ASP C C 26 174.343 173.797 0.546 2
1 307 . 1 1 A 26 26 ASP CA C 26 53.671 53.391 0.280 2
1 308 . 1 1 A 26 26 ASP CB C 26 43.563 44.454 -0.891 2
1 309 . 1 1 A 26 26 ASP N N 26 118.459 119.682 -1.223 2
1 310 . 1 1 A 27 27 ILE H H 27 9.092 8.967 0.125 2
1 311 . 1 1 A 27 27 ILE HA H 27 4.273 4.435 -0.162 2
1 321 . 1 1 A 27 27 ILE C C 27 173.976 175.468 -1.492 2
1 322 . 1 1 A 27 27 ILE CA C 27 60.306 60.752 -0.447 2
1 323 . 1 1 A 27 27 ILE CB C 27 38.339 38.288 0.051 2
1 327 . 1 1 A 27 27 ILE N N 27 124.375 125.225 -0.850 2
1 328 . 1 1 A 28 28 ILE H H 28 8.055 8.771 -0.716 2
1 329 . 1 1 A 28 28 ILE HA H 28 3.986 4.076 -0.090 2
1 339 . 1 1 A 28 28 ILE C C 28 174.733 175.756 -1.023 2
1 340 . 1 1 A 28 28 ILE CA C 28 62.414 63.380 -0.966 2
1 341 . 1 1 A 28 28 ILE CB C 28 37.450 38.473 -1.023 2
1 345 . 1 1 A 28 28 ILE N N 28 127.525 129.268 -1.743 2
1 346 . 1 1 A 29 29 ASP H H 29 8.438 8.318 0.120 2
1 347 . 1 1 A 29 29 ASP HA H 29 4.522 5.001 -0.479 2
1 350 . 1 1 A 29 29 ASP C C 29 175.289 175.704 -0.415 2
1 351 . 1 1 A 29 29 ASP CA C 29 53.316 52.606 0.710 2
1 352 . 1 1 A 29 29 ASP CB C 29 39.450 43.609 -4.159 2
1 353 . 1 1 A 29 29 ASP N N 29 118.886 118.399 0.487 2
1 354 . 1 1 A 30 30 ASP H H 30 8.140 8.799 -0.659 2
1 355 . 1 1 A 30 30 ASP HA H 30 4.375 4.446 -0.071 2
1 358 . 1 1 A 30 30 ASP C C 30 174.332 177.237 -2.905 2
1 359 . 1 1 A 30 30 ASP CA C 30 56.171 56.501 -0.330 2
1 360 . 1 1 A 30 30 ASP CB C 30 40.302 40.995 -0.693 2
1 361 . 1 1 A 30 30 ASP N N 30 112.219 122.044 -9.825 2
1 362 . 1 1 A 31 31 ASN H H 31 8.866 8.162 0.704 2
1 363 . 1 1 A 31 31 ASN HA H 31 4.805 4.808 -0.003 2
1 366 . 1 1 A 31 31 ASN C C 31 175.926 174.951 0.975 2
1 367 . 1 1 A 31 31 ASN CA C 31 54.015 54.174 -0.159 2
1 368 . 1 1 A 31 31 ASN CB C 31 42.366 40.241 2.125 2
1 369 . 1 1 A 31 31 ASN N N 31 114.650 116.071 -1.421 2
1 370 . 1 1 A 32 32 PHE H H 32 8.481 7.908 0.573 2
1 371 . 1 1 A 32 32 PHE HA H 32 5.279 5.039 0.240 2
1 376 . 1 1 A 32 32 PHE C C 32 173.451 175.209 -1.758 2
1 377 . 1 1 A 32 32 PHE CA C 32 57.629 57.219 0.410 2
1 378 . 1 1 A 32 32 PHE CB C 32 42.418 40.171 2.247 2
1 379 . 1 1 A 32 32 PHE N N 32 117.648 117.596 0.052 2
1 380 . 1 1 A 33 33 VAL H H 33 8.680 8.986 -0.306 2
1 381 . 1 1 A 33 33 VAL HA H 33 4.720 5.002 -0.282 2
1 389 . 1 1 A 33 33 VAL C C 33 174.458 173.645 0.813 2
1 390 . 1 1 A 33 33 VAL CA C 33 58.331 59.364 -1.033 2
1 391 . 1 1 A 33 33 VAL CB C 33 34.410 35.425 -1.015 2
1 394 . 1 1 A 33 33 VAL N N 33 110.814 118.502 -7.688 2
1 395 . 1 1 A 34 34 LEU H H 34 8.696 8.928 -0.232 2
1 396 . 1 1 A 34 34 LEU HA H 34 4.871 5.073 -0.202 2
1 406 . 1 1 A 34 34 LEU C C 34 172.716 175.651 -2.935 2
1 407 . 1 1 A 34 34 LEU CA C 34 53.776 53.541 0.235 2
1 408 . 1 1 A 34 34 LEU CB C 34 44.582 44.070 0.512 2
1 412 . 1 1 A 34 34 LEU N N 34 123.160 125.093 -1.933 2
1 413 . 1 1 A 35 35 VAL H H 35 8.460 8.980 -0.520 2
1 414 . 1 1 A 35 35 VAL HA H 35 5.674 5.243 0.431 2
1 422 . 1 1 A 35 35 VAL C C 35 176.009 174.387 1.622 2
1 423 . 1 1 A 35 35 VAL CA C 35 57.423 59.789 -2.366 2
1 424 . 1 1 A 35 35 VAL CB C 35 35.541 34.387 1.154 2
1 427 . 1 1 A 35 35 VAL N N 35 119.184 121.864 -2.680 2
1 428 . 1 1 A 36 36 THR H H 36 8.362 8.697 -0.335 2
1 429 . 1 1 A 36 36 THR HA H 36 4.535 4.924 -0.389 2
1 434 . 1 1 A 36 36 THR C C 36 173.498 172.715 0.783 2
1 435 . 1 1 A 36 36 THR CA C 36 59.643 59.922 -0.279 2
1 436 . 1 1 A 36 36 THR CB C 36 70.439 70.952 -0.513 2
1 438 . 1 1 A 36 36 THR N N 36 109.151 117.391 -8.240 2
1 439 . 1 1 A 37 37 GLY H H 37 7.571 4.818 2.753 2
1 440 . 1 1 A 37 37 GLY C C 37 172.460 172.443 0.017 2
1 441 . 1 1 A 37 37 GLY CA C 37 51.421 44.397 7.024 2
1 442 . 1 1 A 37 37 GLY N N 37 115.474 112.649 2.825 2
1 443 . 1 1 A 38 38 PRO HA H 38 5.235 4.699 0.536 2
1 450 . 1 1 A 38 38 PRO CA C 38 60.459 63.111 -2.652 2
1 451 . 1 1 A 38 38 PRO CB C 38 35.517 31.919 3.598 2
1 454 . 1 1 A 39 39 LYS H H 39 9.463 8.746 0.717 2
1 455 . 1 1 A 39 39 LYS HA H 39 3.545 4.071 -0.526 2
1 464 . 1 1 A 39 39 LYS C C 39 179.019 177.615 1.404 2
1 465 . 1 1 A 39 39 LYS CA C 39 60.344 58.524 1.820 2
1 466 . 1 1 A 39 39 LYS CB C 39 31.826 32.212 -0.386 2
1 470 . 1 1 A 39 39 LYS N N 39 127.869 123.557 4.312 2
1 471 . 1 1 A 40 40 ASP H H 40 9.035 8.137 0.898 2
1 472 . 1 1 A 40 40 ASP HA H 40 4.375 4.496 -0.121 2
1 475 . 1 1 A 40 40 ASP C C 40 177.615 177.214 0.401 2
1 476 . 1 1 A 40 40 ASP CA C 40 55.080 55.929 -0.849 2
1 477 . 1 1 A 40 40 ASP CB C 40 39.209 40.857 -1.648 2
1 478 . 1 1 A 40 40 ASP N N 40 115.744 119.385 -3.640 2
1 479 . 1 1 A 41 41 ILE H H 41 7.739 7.727 0.012 2
1 480 . 1 1 A 41 41 ILE HA H 41 4.218 4.061 0.157 2
1 490 . 1 1 A 41 41 ILE C C 41 174.826 177.106 -2.280 2
1 491 . 1 1 A 41 41 ILE CA C 41 61.664 63.237 -1.573 2
1 492 . 1 1 A 41 41 ILE CB C 41 37.453 38.781 -1.328 2
1 496 . 1 1 A 41 41 ILE N N 41 116.447 118.251 -1.804 2
1 497 . 1 1 A 42 42 THR H H 42 7.766 8.142 -0.376 2
1 498 . 1 1 A 42 42 THR HA H 42 4.734 4.336 0.398 2
1 503 . 1 1 A 42 42 THR C C 42 175.827 175.261 0.566 2
1 504 . 1 1 A 42 42 THR CA C 42 60.110 63.405 -3.295 2
1 505 . 1 1 A 42 42 THR CB C 42 71.791 69.825 1.966 2
1 507 . 1 1 A 42 42 THR N N 42 104.054 112.708 -8.654 2
1 508 . 1 1 A 43 43 GLY H H 43 7.844 4.547 3.297 2
1 509 . 1 1 A 43 43 GLY HA2 H 43 4.461 3.957 0.504 2
1 510 . 1 1 A 43 43 GLY HA3 H 43 3.836 3.959 -0.123 2
1 511 . 1 1 A 43 43 GLY C C 43 175.208 174.537 0.671 2
1 512 . 1 1 A 43 43 GLY CA C 43 44.826 46.420 -1.594 2
1 513 . 1 1 A 43 43 GLY N N 43 109.006 109.891 -0.886 2
1 514 . 1 1 A 44 44 VAL H H 44 7.289 7.823 -0.534 2
1 515 . 1 1 A 44 44 VAL HA H 44 3.945 4.149 -0.204 2
1 523 . 1 1 A 44 44 VAL C C 44 173.149 175.360 -2.211 2
1 524 . 1 1 A 44 44 VAL CA C 44 62.902 62.200 0.702 2
1 525 . 1 1 A 44 44 VAL CB C 44 31.715 32.487 -0.772 2
1 528 . 1 1 A 44 44 VAL N N 44 120.903 120.458 0.445 2
1 529 . 1 1 A 45 45 LYS H H 45 8.308 8.428 -0.120 2
1 530 . 1 1 A 45 45 LYS HA H 45 4.190 4.497 -0.307 2
1 539 . 1 1 A 45 45 LYS C C 45 175.177 175.957 -0.780 2
1 540 . 1 1 A 45 45 LYS CA C 45 56.355 56.226 0.129 2
1 541 . 1 1 A 45 45 LYS CB C 45 33.385 33.271 0.114 2
1 545 . 1 1 A 45 45 LYS N N 45 128.406 126.325 2.081 2
1 546 . 1 1 A 46 46 ARG H H 46 8.080 8.473 -0.393 2
1 547 . 1 1 A 46 46 ARG HA H 46 5.720 4.750 0.970 2
1 554 . 1 1 A 46 46 ARG C C 46 173.780 175.489 -1.709 2
1 555 . 1 1 A 46 46 ARG CA C 46 54.888 55.727 -0.839 2
1 556 . 1 1 A 46 46 ARG CB C 46 29.630 31.354 -1.724 2
1 559 . 1 1 A 46 46 ARG N N 46 120.129 123.001 -2.872 2
1 560 . 1 1 A 47 47 ARG H H 47 8.452 8.644 -0.192 2
1 561 . 1 1 A 47 47 ARG HA H 47 4.732 4.870 -0.138 2
1 568 . 1 1 A 47 47 ARG C C 47 176.138 174.663 1.475 2
1 569 . 1 1 A 47 47 ARG CA C 47 54.319 54.648 -0.329 2
1 570 . 1 1 A 47 47 ARG CB C 47 33.746 33.931 -0.185 2
1 573 . 1 1 A 47 47 ARG N N 47 126.780 121.513 5.267 2
1 574 . 1 1 A 48 48 ARG H H 48 8.546 8.456 0.090 2
1 575 . 1 1 A 48 48 ARG HA H 48 5.111 4.905 0.206 2
1 582 . 1 1 A 48 48 ARG C C 48 174.339 175.656 -1.317 2
1 583 . 1 1 A 48 48 ARG CA C 48 55.524 55.733 -0.209 2
1 584 . 1 1 A 48 48 ARG CB C 48 31.132 31.098 0.034 2
1 587 . 1 1 A 48 48 ARG N N 48 121.931 122.013 -0.082 2
1 588 . 1 1 A 49 49 VAL H H 49 9.485 8.762 0.723 2
1 589 . 1 1 A 49 49 VAL HA H 49 4.651 4.788 -0.137 2
1 597 . 1 1 A 49 49 VAL C C 49 176.112 174.845 1.267 2
1 598 . 1 1 A 49 49 VAL CA C 49 60.040 59.969 0.071 2
1 599 . 1 1 A 49 49 VAL CB C 49 36.427 34.810 1.617 2
1 602 . 1 1 A 49 49 VAL N N 49 122.891 120.977 1.914 2
1 603 . 1 1 A 50 50 ASN H H 50 8.569 8.488 0.081 2
1 604 . 1 1 A 50 50 ASN HA H 50 4.213 5.043 -0.830 2
1 607 . 1 1 A 50 50 ASN C C 50 173.258 175.601 -2.343 2
1 608 . 1 1 A 50 50 ASN CA C 50 52.732 52.548 0.184 2
1 609 . 1 1 A 50 50 ASN CB C 50 38.173 38.782 -0.609 2
1 610 . 1 1 A 50 50 ASN N N 50 125.736 120.715 5.021 2
1 611 . 1 1 A 51 51 ILE H H 51 8.601 8.400 0.201 2
1 612 . 1 1 A 51 51 ILE HA H 51 3.632 4.053 -0.421 2
1 622 . 1 1 A 51 51 ILE C C 51 176.785 176.430 0.355 2
1 623 . 1 1 A 51 51 ILE CA C 51 65.046 62.220 2.826 2
1 624 . 1 1 A 51 51 ILE CB C 51 38.532 37.332 1.200 2
1 628 . 1 1 A 51 51 ILE N N 51 126.454 119.729 6.725 2
1 629 . 1 1 A 52 52 LEU H H 52 8.448 7.885 0.563 2
1 630 . 1 1 A 52 52 LEU HA H 52 4.290 4.251 0.039 2
1 640 . 1 1 A 52 52 LEU C C 52 176.765 177.233 -0.468 2
1 641 . 1 1 A 52 52 LEU CA C 52 55.880 56.079 -0.199 2
1 642 . 1 1 A 52 52 LEU CB C 52 40.983 42.467 -1.484 2
1 646 . 1 1 A 52 52 LEU N N 52 118.365 124.294 -5.929 2
1 647 . 1 1 A 53 53 HIS H H 53 8.358 7.870 0.488 2
1 648 . 1 1 A 53 53 HIS HA H 53 4.621 4.740 -0.119 2
1 651 . 1 1 A 53 53 HIS C C 53 178.018 174.070 3.948 2
1 652 . 1 1 A 53 53 HIS CA C 53 53.996 55.649 -1.653 2
1 653 . 1 1 A 53 53 HIS CB C 53 30.306 30.163 0.143 2
1 654 . 1 1 A 53 53 HIS N N 53 116.672 116.193 0.479 2
1 655 . 1 1 A 54 54 LEU H H 54 7.693 7.645 0.048 2
1 656 . 1 1 A 54 54 LEU HA H 54 5.222 4.935 0.287 2
1 666 . 1 1 A 54 54 LEU C C 54 173.609 174.980 -1.371 2
1 667 . 1 1 A 54 54 LEU CA C 54 52.932 53.510 -0.578 2
1 668 . 1 1 A 54 54 LEU CB C 54 45.943 45.203 0.740 2
1 672 . 1 1 A 54 54 LEU N N 54 119.311 119.536 -0.225 2
1 673 . 1 1 A 55 55 GLU H H 55 9.073 8.781 0.292 2
1 674 . 1 1 A 55 55 GLU C C 55 175.102 174.115 0.987 2
1 675 . 1 1 A 55 55 GLU CA C 55 52.073 52.768 -0.695 2
1 676 . 1 1 A 55 55 GLU CB C 55 31.958 31.791 0.167 2
1 677 . 1 1 A 55 55 GLU N N 55 120.139 122.171 -2.032 2
1 678 . 1 1 A 56 56 PRO HA H 56 4.903 4.704 0.199 2
1 685 . 1 1 A 56 56 PRO CA C 56 63.121 62.745 0.376 2
1 686 . 1 1 A 56 56 PRO CB C 56 32.274 32.355 -0.081 2
1 689 . 1 1 A 57 57 THR H H 57 8.502 8.580 -0.078 2
1 690 . 1 1 A 57 57 THR HA H 57 4.932 4.624 0.308 2
1 695 . 1 1 A 57 57 THR C C 57 175.894 175.140 0.754 2
1 696 . 1 1 A 57 57 THR CA C 57 60.602 60.630 -0.028 2
1 697 . 1 1 A 57 57 THR CB C 57 71.821 71.125 0.696 2
1 699 . 1 1 A 57 57 THR N N 57 113.388 113.726 -0.338 2
1 700 . 1 1 A 58 58 ASP H H 58 8.605 8.766 -0.161 2
1 701 . 1 1 A 58 58 ASP HA H 58 4.445 4.467 -0.022 2
1 704 . 1 1 A 58 58 ASP C C 58 173.673 176.199 -2.526 2
1 705 . 1 1 A 58 58 ASP CA C 58 53.743 56.350 -2.607 2
1 706 . 1 1 A 58 58 ASP CB C 58 39.622 41.051 -1.429 2
1 707 . 1 1 A 58 58 ASP N N 58 115.340 120.815 -5.475 2
1 708 . 1 1 A 59 59 LYS H H 59 8.544 7.779 0.765 2
1 709 . 1 1 A 59 59 LYS HA H 59 4.646 4.579 0.067 2
1 718 . 1 1 A 59 59 LYS C C 59 174.972 175.679 -0.707 2
1 719 . 1 1 A 59 59 LYS CA C 59 54.336 55.525 -1.189 2
1 720 . 1 1 A 59 59 LYS CB C 59 34.626 34.182 0.444 2
1 724 . 1 1 A 59 59 LYS N N 59 119.488 118.472 1.016 2
1 725 . 1 1 A 60 60 LYS H H 60 8.227 8.706 -0.479 2
1 726 . 1 1 A 60 60 LYS HA H 60 4.999 4.959 0.040 2
1 735 . 1 1 A 60 60 LYS C C 60 174.256 175.240 -0.984 2
1 736 . 1 1 A 60 60 LYS CA C 60 54.465 54.916 -0.451 2
1 737 . 1 1 A 60 60 LYS CB C 60 36.153 36.066 0.087 2
1 741 . 1 1 A 60 60 LYS N N 60 121.112 120.872 0.240 2
1 742 . 1 1 A 61 61 ILE H H 61 8.527 8.774 -0.247 2
1 743 . 1 1 A 61 61 ILE HA H 61 4.724 4.780 -0.056 2
1 753 . 1 1 A 61 61 ILE C C 61 174.330 174.325 0.006 2
1 754 . 1 1 A 61 61 ILE CA C 61 58.831 59.855 -1.024 2
1 755 . 1 1 A 61 61 ILE CB C 61 41.357 39.867 1.490 2
1 759 . 1 1 A 61 61 ILE N N 61 116.027 119.846 -3.819 2
1 760 . 1 1 A 62 62 ASP H H 62 8.513 8.739 -0.226 2
1 761 . 1 1 A 62 62 ASP HA H 62 4.732 4.875 -0.143 2
1 764 . 1 1 A 62 62 ASP C C 62 174.224 175.370 -1.146 2
1 765 . 1 1 A 62 62 ASP CA C 62 53.163 53.577 -0.414 2
1 766 . 1 1 A 62 62 ASP CB C 62 39.686 40.931 -1.245 2
1 767 . 1 1 A 62 62 ASP N N 62 121.643 124.425 -2.782 2
1 768 . 1 1 A 63 63 ILE H H 63 7.389 8.491 -1.102 2
1 769 . 1 1 A 63 63 ILE HA H 63 4.641 5.017 -0.376 2
1 779 . 1 1 A 63 63 ILE C C 63 174.484 174.815 -0.331 2
1 780 . 1 1 A 63 63 ILE CA C 63 58.244 58.664 -0.420 2
1 781 . 1 1 A 63 63 ILE CB C 63 41.811 41.634 0.177 2
1 785 . 1 1 A 63 63 ILE N N 63 114.509 120.570 -6.061 2
1 786 . 1 1 A 64 64 GLN H H 64 8.529 8.435 0.094 2
1 787 . 1 1 A 64 64 GLN HA H 64 4.390 4.691 -0.301 2
1 792 . 1 1 A 64 64 GLN C C 64 174.409 175.298 -0.889 2
1 793 . 1 1 A 64 64 GLN CA C 64 53.860 54.484 -0.624 2
1 794 . 1 1 A 64 64 GLN CB C 64 30.086 30.864 -0.778 2
1 796 . 1 1 A 64 64 GLN N N 64 119.145 120.946 -1.801 2
1 797 . 1 1 A 65 65 LYS H H 65 8.323 8.595 -0.272 2
1 798 . 1 1 A 65 65 LYS HA H 65 4.132 4.082 0.050 2
1 807 . 1 1 A 65 65 LYS C C 65 174.920 177.375 -2.455 2
1 808 . 1 1 A 65 65 LYS CA C 65 57.603 57.935 -0.332 2
1 809 . 1 1 A 65 65 LYS CB C 65 32.341 32.218 0.123 2
1 813 . 1 1 A 65 65 LYS N N 65 119.780 123.589 -3.809 2
1 814 . 1 1 A 66 66 GLY H H 66 9.313 4.898 4.415 2
1 815 . 1 1 A 66 66 GLY HA2 H 66 4.093 3.991 0.102 2
1 816 . 1 1 A 66 66 GLY HA3 H 66 3.297 3.992 -0.695 2
1 817 . 1 1 A 66 66 GLY C C 66 177.892 174.633 3.259 2
1 818 . 1 1 A 66 66 GLY CA C 66 44.953 45.910 -0.957 2
1 819 . 1 1 A 66 66 GLY N N 66 112.449 114.250 -1.801 2
1 820 . 1 1 A 67 67 ALA H H 67 7.545 7.943 -0.398 2
1 821 . 1 1 A 67 67 ALA HA H 67 4.081 4.602 -0.521 2
1 825 . 1 1 A 67 67 ALA C C 67 173.517 177.121 -3.604 2
1 826 . 1 1 A 67 67 ALA CA C 67 52.802 51.563 1.239 2
1 827 . 1 1 A 67 67 ALA CB C 67 20.424 20.600 -0.176 2
1 828 . 1 1 A 67 67 ALA N N 67 121.516 123.831 -2.315 2
1 829 . 1 1 A 68 68 SER H H 68 8.904 8.768 0.136 2
1 830 . 1 1 A 68 68 SER HA H 68 4.261 4.823 -0.562 2
1 833 . 1 1 A 68 68 SER C C 68 177.019 175.025 1.994 2
1 834 . 1 1 A 68 68 SER CA C 68 57.321 56.962 0.359 2
1 835 . 1 1 A 68 68 SER CB C 68 65.064 65.728 -0.663 2
1 836 . 1 1 A 68 68 SER N N 68 119.470 115.664 3.806 2
1 837 . 1 1 A 69 69 ASP H H 69 9.379 8.957 0.422 2
1 838 . 1 1 A 69 69 ASP HA H 69 4.184 4.262 -0.078 2
1 841 . 1 1 A 69 69 ASP C C 69 173.831 177.881 -4.050 2
1 842 . 1 1 A 69 69 ASP CA C 69 57.843 57.845 -0.002 2
1 843 . 1 1 A 69 69 ASP CB C 69 39.367 40.909 -1.542 2
1 844 . 1 1 A 69 69 ASP N N 69 122.205 122.653 -0.448 2
1 845 . 1 1 A 70 70 GLU H H 70 8.454 8.349 0.105 2
1 846 . 1 1 A 70 70 GLU HA H 70 3.966 4.024 -0.058 2
1 851 . 1 1 A 70 70 GLU C C 70 177.979 178.944 -0.965 2
1 852 . 1 1 A 70 70 GLU CA C 70 59.987 59.585 0.402 2
1 853 . 1 1 A 70 70 GLU CB C 70 28.804 29.194 -0.390 2
1 855 . 1 1 A 70 70 GLU N N 70 118.426 118.853 -0.427 2
1 856 . 1 1 A 71 71 GLU H H 71 7.835 7.941 -0.106 2
1 857 . 1 1 A 71 71 GLU HA H 71 4.050 4.112 -0.062 2
1 862 . 1 1 A 71 71 GLU C C 71 178.486 179.142 -0.656 2
1 863 . 1 1 A 71 71 GLU CA C 71 58.998 59.030 -0.032 2
1 864 . 1 1 A 71 71 GLU CB C 71 29.068 29.602 -0.534 2
1 866 . 1 1 A 71 71 GLU N N 71 122.166 119.849 2.317 2
1 867 . 1 1 A 72 72 VAL H H 72 8.387 8.248 0.139 2
1 868 . 1 1 A 72 72 VAL HA H 72 3.295 3.519 -0.224 2
1 876 . 1 1 A 72 72 VAL C C 72 178.603 177.849 0.754 2
1 877 . 1 1 A 72 72 VAL CA C 72 66.989 67.078 -0.089 2
1 878 . 1 1 A 72 72 VAL CB C 72 31.242 31.446 -0.204 2
1 881 . 1 1 A 72 72 VAL N N 72 118.871 119.850 -0.979 2
1 882 . 1 1 A 73 73 LYS H H 73 8.619 8.139 0.480 2
1 883 . 1 1 A 73 73 LYS HA H 73 3.734 3.985 -0.251 2
1 892 . 1 1 A 73 73 LYS C C 73 177.118 178.855 -1.737 2
1 893 . 1 1 A 73 73 LYS CA C 73 60.695 59.387 1.308 2
1 894 . 1 1 A 73 73 LYS CB C 73 32.320 32.182 0.138 2
1 898 . 1 1 A 73 73 LYS N N 73 118.351 119.424 -1.073 2
1 899 . 1 1 A 74 74 LYS H H 74 7.886 7.896 -0.010 2
1 900 . 1 1 A 74 74 LYS HA H 74 4.133 4.042 0.091 2
1 909 . 1 1 A 74 74 LYS C C 74 178.306 179.310 -1.004 2
1 910 . 1 1 A 74 74 LYS CA C 74 58.954 59.709 -0.755 2
1 911 . 1 1 A 74 74 LYS CB C 74 31.974 32.274 -0.300 2
1 915 . 1 1 A 74 74 LYS N N 74 118.808 119.064 -0.255 2
1 916 . 1 1 A 75 75 LYS H H 75 8.118 7.870 0.247 2
1 917 . 1 1 A 75 75 LYS HA H 75 4.228 4.114 0.114 2
1 926 . 1 1 A 75 75 LYS C C 75 178.795 179.378 -0.583 2
1 927 . 1 1 A 75 75 LYS CA C 75 57.158 59.129 -1.971 2
1 928 . 1 1 A 75 75 LYS CB C 75 31.382 32.060 -0.678 2
1 932 . 1 1 A 75 75 LYS N N 75 118.374 119.324 -0.950 2
1 933 . 1 1 A 76 76 LEU H H 76 8.778 8.463 0.315 2
1 934 . 1 1 A 76 76 LEU HA H 76 3.931 4.044 -0.113 2
1 944 . 1 1 A 76 76 LEU C C 76 180.241 178.837 1.404 2
1 945 . 1 1 A 76 76 LEU CA C 76 58.203 57.861 0.342 2
1 946 . 1 1 A 76 76 LEU CB C 76 42.015 41.531 0.484 2
1 950 . 1 1 A 76 76 LEU N N 76 121.253 120.686 0.567 2
1 951 . 1 1 A 77 77 GLU H H 77 7.951 8.228 -0.277 2
1 952 . 1 1 A 77 77 GLU HA H 77 4.227 3.965 0.262 2
1 957 . 1 1 A 77 77 GLU C C 77 178.403 178.927 -0.524 2
1 958 . 1 1 A 77 77 GLU CA C 77 58.892 59.687 -0.795 2
1 959 . 1 1 A 77 77 GLU CB C 77 28.925 29.177 -0.252 2
1 961 . 1 1 A 77 77 GLU N N 77 119.306 119.719 -0.413 2
1 962 . 1 1 A 78 78 GLU H H 78 8.595 8.347 0.248 2
1 963 . 1 1 A 78 78 GLU HA H 78 4.099 4.069 0.030 2
1 968 . 1 1 A 78 78 GLU C C 78 180.586 178.504 2.082 2
1 969 . 1 1 A 78 78 GLU CA C 78 58.850 59.350 -0.500 2
1 970 . 1 1 A 78 78 GLU CB C 78 29.878 29.371 0.507 2
1 972 . 1 1 A 78 78 GLU N N 78 120.814 119.638 1.176 2
1 973 . 1 1 A 79 79 SER H H 79 7.519 7.798 -0.279 2
1 974 . 1 1 A 79 79 SER HA H 79 4.592 4.508 0.084 2
1 977 . 1 1 A 79 79 SER C C 79 177.761 173.804 3.957 2
1 978 . 1 1 A 79 79 SER CA C 79 58.324 58.605 -0.281 2
1 979 . 1 1 A 79 79 SER CB C 79 63.796 63.460 0.336 2
1 980 . 1 1 A 79 79 SER N N 79 110.823 113.046 -2.223 2
1 981 . 1 1 A 80 80 ASN H H 80 8.126 8.054 0.072 2
1 982 . 1 1 A 80 80 ASN HA H 80 4.700 4.474 0.226 2
1 985 . 1 1 A 80 80 ASN C C 80 172.562 175.542 -2.980 2
1 986 . 1 1 A 80 80 ASN CA C 80 53.603 54.334 -0.731 2
1 987 . 1 1 A 80 80 ASN CB C 80 36.754 37.312 -0.558 2
1 988 . 1 1 A 80 80 ASN N N 80 117.027 117.763 -0.736 2
1 989 . 1 1 A 81 81 LEU H H 81 8.526 7.928 0.598 2
1 990 . 1 1 A 81 81 LEU HA H 81 4.767 4.499 0.268 2
1 1000 . 1 1 A 81 81 LEU C C 81 175.743 177.903 -2.160 2
1 1001 . 1 1 A 81 81 LEU CA C 81 54.008 54.810 -0.802 2
1 1002 . 1 1 A 81 81 LEU CB C 81 45.026 42.506 2.520 2
1 1006 . 1 1 A 81 81 LEU N N 81 114.910 119.497 -4.587 2
1 1007 . 1 1 A 82 82 THR H H 82 7.848 7.748 0.100 2
1 1008 . 1 1 A 82 82 THR HA H 82 4.117 3.943 0.174 2
1 1013 . 1 1 A 82 82 THR C C 82 176.676 176.436 0.240 2
1 1014 . 1 1 A 82 82 THR CA C 82 67.474 66.621 0.853 2
1 1015 . 1 1 A 82 82 THR CB C 82 68.235 68.552 -0.317 2
1 1017 . 1 1 A 82 82 THR N N 82 117.802 114.252 3.550 2
1 1018 . 1 1 A 83 83 GLU H H 83 8.335 8.195 0.140 2
1 1019 . 1 1 A 83 83 GLU HA H 83 3.915 4.001 -0.086 2
1 1024 . 1 1 A 83 83 GLU C C 83 175.177 178.565 -3.388 2
1 1025 . 1 1 A 83 83 GLU CA C 83 59.541 59.701 -0.160 2
1 1026 . 1 1 A 83 83 GLU CB C 83 27.819 29.468 -1.649 2
1 1028 . 1 1 A 83 83 GLU N N 83 118.314 120.821 -2.507 2
1 1029 . 1 1 A 84 84 TYR H H 84 8.043 8.301 -0.258 2
1 1030 . 1 1 A 84 84 TYR HA H 84 4.111 4.149 -0.038 2
1 1037 . 1 1 A 84 84 TYR C C 84 179.081 177.838 1.243 2
1 1038 . 1 1 A 84 84 TYR CA C 84 60.788 61.041 -0.253 2
1 1039 . 1 1 A 84 84 TYR CB C 84 37.753 38.728 -0.975 2
1 1040 . 1 1 A 84 84 TYR N N 84 121.386 121.540 -0.154 2
1 1041 . 1 1 A 85 85 MET H H 85 8.101 7.889 0.212 2
1 1042 . 1 1 A 85 85 MET HA H 85 4.259 4.234 0.025 2
1 1047 . 1 1 A 85 85 MET C C 85 178.628 178.133 0.495 2
1 1048 . 1 1 A 85 85 MET CA C 85 55.244 58.027 -2.783 2
1 1049 . 1 1 A 85 85 MET CB C 85 29.597 32.416 -2.819 2
1 1051 . 1 1 A 85 85 MET N N 85 116.695 118.343 -1.648 2
1 1052 . 1 1 A 86 86 LYS H H 86 7.301 7.874 -0.573 2
1 1053 . 1 1 A 86 86 LYS HA H 86 3.937 4.169 -0.232 2
1 1062 . 1 1 A 86 86 LYS C C 86 175.934 177.035 -1.101 2
1 1063 . 1 1 A 86 86 LYS CA C 86 57.318 58.498 -1.180 2
1 1064 . 1 1 A 86 86 LYS CB C 86 32.956 32.395 0.561 2
1 1068 . 1 1 A 86 86 LYS N N 86 114.957 118.948 -3.991 2
1 1069 . 1 1 A 87 87 GLU H H 87 7.031 7.646 -0.615 2
1 1070 . 1 1 A 87 87 GLU HA H 87 4.185 4.228 -0.043 2
1 1075 . 1 1 A 87 87 GLU C C 87 176.247 175.944 0.303 2
1 1076 . 1 1 A 87 87 GLU CA C 87 55.780 56.591 -0.811 2
1 1077 . 1 1 A 87 87 GLU CB C 87 29.358 30.394 -1.036 2
1 1079 . 1 1 A 87 87 GLU N N 87 119.315 119.686 -0.370 2
1 1080 . 1 1 A 88 88 LYS H H 88 8.466 8.689 -0.223 2
1 1081 . 1 1 A 88 88 LYS HA H 88 4.568 4.580 -0.012 2
1 1090 . 1 1 A 88 88 LYS C C 88 175.539 175.381 0.158 2
1 1091 . 1 1 A 88 88 LYS CA C 88 55.271 55.586 -0.315 2
1 1092 . 1 1 A 88 88 LYS CB C 88 33.457 33.716 -0.259 2
1 1096 . 1 1 A 88 88 LYS N N 88 127.402 123.335 4.067 2
1 1097 . 1 1 A 89 89 ILE H H 89 8.752 8.409 0.343 2
1 1098 . 1 1 A 89 89 ILE HA H 89 4.249 4.467 -0.218 2
1 1108 . 1 1 A 89 89 ILE C C 89 176.471 175.368 1.103 2
1 1109 . 1 1 A 89 89 ILE CA C 89 59.014 60.295 -1.281 2
1 1110 . 1 1 A 89 89 ILE CB C 89 38.437 39.444 -1.007 2
1 1114 . 1 1 A 89 89 ILE N N 89 122.906 123.077 -0.171 2
1 1115 . 1 1 A 90 90 LYS H H 90 8.394 8.661 -0.267 2
1 1116 . 1 1 A 90 90 LYS HA H 90 4.284 4.363 -0.079 2
1 1125 . 1 1 A 90 90 LYS C C 90 175.276 175.519 -0.243 2
1 1126 . 1 1 A 90 90 LYS CA C 90 55.821 56.205 -0.384 2
1 1127 . 1 1 A 90 90 LYS CB C 90 31.860 32.568 -0.708 2
1 1131 . 1 1 A 90 90 LYS N N 90 125.894 124.137 1.757 2
1 1132 . 1 1 A 91 91 ILE H H 91 8.141 8.410 -0.269 2
1 1133 . 1 1 A 91 91 ILE HA H 91 4.165 4.332 -0.167 2
1 1143 . 1 1 A 91 91 ILE C C 91 175.506 175.065 0.441 2
1 1144 . 1 1 A 91 91 ILE CA C 91 59.516 60.915 -1.399 2
1 1145 . 1 1 A 91 91 ILE CB C 91 37.991 38.060 -0.069 2
1 1149 . 1 1 A 91 91 ILE N N 91 124.934 123.222 1.712 2
1 1150 . 1 1 A 92 92 ARG H H 92 8.488 8.453 0.035 2
1 1151 . 1 1 A 92 92 ARG HA H 92 4.318 4.645 -0.327 2
1 1158 . 1 1 A 92 92 ARG C C 92 175.508 174.931 0.577 2
1 1159 . 1 1 A 92 92 ARG CA C 92 55.708 55.408 0.300 2
1 1160 . 1 1 A 92 92 ARG CB C 92 30.394 31.594 -1.200 2
1 1163 . 1 1 A 92 92 ARG N N 92 126.033 126.878 -0.845 2
1 1164 . 1 1 A 93 93 MET H H 93 8.362 8.625 -0.263 2
1 1165 . 1 1 A 93 93 MET C C 93 175.367 175.179 0.188 2
1 1166 . 1 1 A 93 93 MET CA C 93 52.994 53.641 -0.647 2
1 1167 . 1 1 A 93 93 MET CB C 93 32.271 33.486 -1.215 2
1 1168 . 1 1 A 93 93 MET N N 93 123.282 123.805 -0.523 2
1 1169 . 1 1 A 94 94 PRO HA H 94 4.505 4.546 -0.041 2
1 1176 . 1 1 A 94 94 PRO CA C 94 62.884 63.481 -0.597 2
1 1177 . 1 1 A 94 94 PRO CB C 94 31.885 31.802 0.083 2
1 1180 . 1 1 A 95 95 THR H H 95 8.180 8.150 0.030 2
1 1181 . 1 1 A 95 95 THR HA H 95 4.320 4.531 -0.211 2
1 1186 . 1 1 A 95 95 THR C C 95 176.463 173.455 3.008 2
1 1187 . 1 1 A 95 95 THR CA C 95 61.391 61.658 -0.267 2
1 1188 . 1 1 A 95 95 THR CB C 95 69.583 69.199 0.384 2
1 1190 . 1 1 A 95 95 THR N N 95 114.511 114.106 0.405 2
stop_
save_